USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=40 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 121 TYR OH : rot 80:sc= 0.266 USER MOD Set 1.2: A 129 LYS NZ :NH3+ -125:sc= 0.399 (180deg=-0.163) USER MOD Set 2.1: A 96 LYS NZ :NH3+ 165:sc= 0.706 (180deg=0.17) USER MOD Set 2.2: A 100 TYR OH : rot -103:sc= 0.851 USER MOD Set 3.1: A 65 LYS NZ :NH3+ 152:sc= 0.677 (180deg=0.447) USER MOD Set 3.2: A 69 MET CE :methyl -174:sc= -2.06 (180deg=-2.27!) USER MOD Set 4.1: A 3 TYR OH : rot -110:sc= -0.116 USER MOD Set 4.2: A 14 MET CE :methyl 177:sc= -0.131 (180deg=-0.0307) USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 169:sc= -0.0118 (180deg=-0.165) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 24 ASN : amide:sc= 1.14 K(o=1.1,f=-0.058) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 160:sc= 1.73 (180deg=0.791) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 172:sc= 1.23 (180deg=1.12) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 59:sc= -3.39! USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= 0.396 (180deg=0.142) USER MOD Single : A 44 ASN : amide:sc= -3.27! C(o=-3.3!,f=-4.9!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0338 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -156:sc= 0.837 (180deg=0.666) USER MOD Single : A 54 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00284) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -2:sc= -0.0107 USER MOD Single : A 62 LYS NZ :NH3+ 129:sc= -0.697 (180deg=-1.24) USER MOD Single : A 67 HIS : no HD1:sc= -0.722 K(o=-0.72,f=-1.9) USER MOD Single : A 71 LYS NZ :NH3+ 171:sc=-0.000918 (180deg=-0.0925) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -160:sc= 1.66 (180deg=0.65) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 175:sc= 0.324 (180deg=0.0825) USER MOD Single : A 88 SER OG : rot -77:sc= 0.944 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.00637 USER MOD Single : A 103 ASN : amide:sc= 0.39 K(o=0.39,f=-13!) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0843 USER MOD Single : A 107 LYS NZ :NH3+ 164:sc= 1.16 (180deg=1.04) USER MOD Single : A 111 LYS NZ :NH3+ 148:sc= 1.19 (180deg=0.811) USER MOD Single : A 113 SER OG : rot 12:sc= -0.24 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -150:sc= 1.32 (180deg=1.17) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 155:sc= -2.39 (180deg=-3.53!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 1.31 (180deg=1.31) USER MOD Single : A 135 GLN : amide:sc= -0.947 K(o=-0.95,f=-2.7) USER MOD Single : A 141 LYS NZ :NH3+ -170:sc= -0.0133 (180deg=-0.125) USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 147 LYS NZ :NH3+ 156:sc= -0.681 (180deg=-1.64!) USER MOD Single : A 150 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0579) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 1 2.473 20.465 -9.581 1.00 1.03 N ATOM 222 CA PHE A 1 2.096 19.074 -9.314 1.00 1.07 C ATOM 223 C PHE A 1 0.581 18.896 -9.335 1.00 0.89 C ATOM 224 O PHE A 1 -0.106 19.093 -8.334 1.00 0.81 O ATOM 225 CB PHE A 1 2.684 18.701 -7.954 1.00 1.39 C ATOM 226 CG PHE A 1 2.574 17.266 -7.492 1.00 0.93 C ATOM 227 CD1 PHE A 1 1.741 16.410 -8.188 1.00 1.11 C ATOM 228 CD2 PHE A 1 3.279 16.763 -6.408 1.00 1.15 C ATOM 229 CE1 PHE A 1 1.608 15.089 -7.819 1.00 1.14 C ATOM 230 CE2 PHE A 1 3.144 15.438 -6.035 1.00 1.47 C ATOM 231 CZ PHE A 1 2.438 14.657 -6.543 1.00 1.31 C ATOM 0 H1 PHE A 1 3.509 20.554 -9.560 1.00 1.03 H new ATOM 0 H2 PHE A 1 2.120 20.747 -10.518 1.00 1.03 H new ATOM 0 H3 PHE A 1 2.058 21.083 -8.855 1.00 1.03 H new ATOM 0 HA PHE A 1 2.488 18.417 -10.090 1.00 1.07 H new ATOM 0 HB2 PHE A 1 3.741 18.966 -7.966 1.00 1.39 H new ATOM 0 HB3 PHE A 1 2.206 19.329 -7.202 1.00 1.39 H new ATOM 0 HD1 PHE A 1 1.185 16.783 -9.035 1.00 1.11 H new ATOM 0 HD2 PHE A 1 3.939 17.412 -5.851 1.00 1.15 H new ATOM 0 HE1 PHE A 1 0.981 14.397 -8.362 1.00 1.14 H new ATOM 0 HE2 PHE A 1 3.742 15.096 -5.203 1.00 1.47 H new ATOM 0 HZ PHE A 1 2.354 13.656 -6.147 1.00 1.31 H new ATOM 241 N LYS A 2 0.092 18.497 -10.485 1.00 0.96 N ATOM 242 CA LYS A 2 -1.335 18.323 -10.726 1.00 0.98 C ATOM 243 C LYS A 2 -1.684 16.856 -10.640 1.00 1.01 C ATOM 244 O LYS A 2 -2.310 16.297 -11.545 1.00 1.42 O ATOM 245 CB LYS A 2 -1.696 18.840 -12.113 1.00 1.14 C ATOM 246 CG LYS A 2 -2.782 19.894 -12.110 1.00 1.62 C ATOM 247 CD LYS A 2 -4.091 19.355 -11.553 1.00 2.02 C ATOM 248 CE LYS A 2 -5.144 20.444 -11.466 1.00 2.67 C ATOM 249 NZ LYS A 2 -5.455 21.028 -12.798 1.00 3.15 N ATOM 0 H LYS A 2 0.674 18.280 -11.294 1.00 0.96 H new ATOM 0 HA LYS A 2 -1.893 18.882 -9.975 1.00 0.98 H new ATOM 0 HB2 LYS A 2 -0.802 19.254 -12.580 1.00 1.14 H new ATOM 0 HB3 LYS A 2 -2.019 18.001 -12.730 1.00 1.14 H new ATOM 0 HG2 LYS A 2 -2.458 20.748 -11.515 1.00 1.62 H new ATOM 0 HG3 LYS A 2 -2.941 20.255 -13.126 1.00 1.62 H new ATOM 0 HD2 LYS A 2 -4.453 18.546 -12.188 1.00 2.02 H new ATOM 0 HD3 LYS A 2 -3.920 18.931 -10.563 1.00 2.02 H new ATOM 0 HE2 LYS A 2 -6.054 20.034 -11.029 1.00 2.67 H new ATOM 0 HE3 LYS A 2 -4.796 21.232 -10.797 1.00 2.67 H new ATOM 0 HZ1 LYS A 2 -6.301 21.629 -12.725 1.00 3.15 H new ATOM 0 HZ2 LYS A 2 -4.650 21.601 -13.122 1.00 3.15 H new ATOM 0 HZ3 LYS A 2 -5.632 20.263 -13.480 1.00 3.15 H new ATOM 263 N TYR A 3 -1.248 16.235 -9.551 1.00 0.91 N ATOM 264 CA TYR A 3 -1.247 14.789 -9.440 1.00 0.94 C ATOM 265 C TYR A 3 -0.315 14.246 -10.540 1.00 1.01 C ATOM 266 O TYR A 3 -0.426 13.109 -10.996 1.00 0.90 O ATOM 267 CB TYR A 3 -2.685 14.240 -9.512 1.00 1.02 C ATOM 268 CG TYR A 3 -2.856 12.833 -8.986 1.00 1.12 C ATOM 269 CD1 TYR A 3 -1.744 12.050 -8.712 1.00 1.31 C ATOM 270 CD2 TYR A 3 -4.115 12.288 -8.772 1.00 1.36 C ATOM 271 CE1 TYR A 3 -1.877 10.763 -8.236 1.00 1.62 C ATOM 272 CE2 TYR A 3 -4.258 10.997 -8.294 1.00 1.78 C ATOM 273 CZ TYR A 3 -3.208 10.254 -8.015 1.00 1.87 C ATOM 274 OH TYR A 3 -3.266 8.958 -7.548 1.00 2.35 O ATOM 0 H TYR A 3 -0.889 16.719 -8.728 1.00 0.91 H new ATOM 0 HA TYR A 3 -0.867 14.456 -8.474 1.00 0.94 H new ATOM 0 HB2 TYR A 3 -3.341 14.905 -8.950 1.00 1.02 H new ATOM 0 HB3 TYR A 3 -3.017 14.267 -10.550 1.00 1.02 H new ATOM 0 HD1 TYR A 3 -0.756 12.456 -8.874 1.00 1.31 H new ATOM 0 HD2 TYR A 3 -4.994 12.879 -8.981 1.00 1.36 H new ATOM 0 HE1 TYR A 3 -1.009 10.153 -8.034 1.00 1.62 H new ATOM 0 HE2 TYR A 3 -5.248 10.592 -8.147 1.00 1.78 H new ATOM 0 HH TYR A 3 -3.620 8.373 -8.250 1.00 2.35 H new ATOM 284 N GLU A 4 0.596 15.146 -10.947 1.00 1.38 N ATOM 285 CA GLU A 4 1.722 14.889 -11.846 1.00 1.74 C ATOM 286 C GLU A 4 1.414 14.100 -13.108 1.00 1.24 C ATOM 287 O GLU A 4 2.346 13.596 -13.742 1.00 1.52 O ATOM 288 CB GLU A 4 2.841 14.197 -11.087 1.00 2.44 C ATOM 289 CG GLU A 4 3.750 15.155 -10.359 1.00 3.05 C ATOM 290 CD GLU A 4 4.468 16.082 -11.313 1.00 3.65 C ATOM 291 OE1 GLU A 4 5.518 15.691 -11.857 1.00 3.95 O ATOM 292 OE2 GLU A 4 3.972 17.204 -11.545 1.00 4.16 O ATOM 0 H GLU A 4 0.561 16.118 -10.640 1.00 1.38 H new ATOM 0 HA GLU A 4 2.013 15.879 -12.197 1.00 1.74 H new ATOM 0 HB2 GLU A 4 2.407 13.502 -10.368 1.00 2.44 H new ATOM 0 HB3 GLU A 4 3.433 13.606 -11.786 1.00 2.44 H new ATOM 0 HG2 GLU A 4 3.166 15.743 -9.651 1.00 3.05 H new ATOM 0 HG3 GLU A 4 4.482 14.592 -9.779 1.00 3.05 H new ATOM 299 N ASP A 5 0.145 14.008 -13.502 1.00 0.71 N ATOM 300 CA ASP A 5 -0.232 13.135 -14.618 1.00 0.73 C ATOM 301 C ASP A 5 0.384 11.739 -14.422 1.00 0.72 C ATOM 302 O ASP A 5 0.697 11.032 -15.384 1.00 0.90 O ATOM 303 CB ASP A 5 0.239 13.753 -15.945 1.00 1.07 C ATOM 304 CG ASP A 5 -0.229 12.984 -17.168 1.00 1.83 C ATOM 305 OD1 ASP A 5 -1.450 12.757 -17.306 1.00 2.15 O ATOM 306 OD2 ASP A 5 0.620 12.627 -18.014 1.00 2.57 O ATOM 0 H ASP A 5 -0.629 14.517 -13.075 1.00 0.71 H new ATOM 0 HA ASP A 5 -1.317 13.034 -14.647 1.00 0.73 H new ATOM 0 HB2 ASP A 5 -0.124 14.779 -16.009 1.00 1.07 H new ATOM 0 HB3 ASP A 5 1.328 13.800 -15.949 1.00 1.07 H new ATOM 311 N ILE A 6 0.562 11.357 -13.152 1.00 0.58 N ATOM 312 CA ILE A 6 1.245 10.118 -12.779 1.00 0.55 C ATOM 313 C ILE A 6 0.629 8.935 -13.506 1.00 0.54 C ATOM 314 O ILE A 6 -0.593 8.822 -13.558 1.00 0.58 O ATOM 315 CB ILE A 6 1.166 9.914 -11.243 1.00 0.55 C ATOM 316 CG1 ILE A 6 1.823 11.106 -10.544 1.00 0.63 C ATOM 317 CG2 ILE A 6 1.832 8.608 -10.816 1.00 0.56 C ATOM 318 CD1 ILE A 6 1.630 11.151 -9.041 1.00 0.69 C ATOM 0 H ILE A 6 0.235 11.901 -12.354 1.00 0.58 H new ATOM 0 HA ILE A 6 2.293 10.190 -13.070 1.00 0.55 H new ATOM 0 HB ILE A 6 0.117 9.851 -10.953 1.00 0.55 H new ATOM 0 HG12 ILE A 6 2.892 11.090 -10.758 1.00 0.63 H new ATOM 0 HG13 ILE A 6 1.425 12.025 -10.974 1.00 0.63 H new ATOM 0 HG21 ILE A 6 1.758 8.498 -9.734 1.00 0.56 H new ATOM 0 HG22 ILE A 6 1.332 7.769 -11.301 1.00 0.56 H new ATOM 0 HG23 ILE A 6 2.882 8.623 -11.108 1.00 0.56 H new ATOM 0 HD11 ILE A 6 2.131 12.030 -8.636 1.00 0.69 H new ATOM 0 HD12 ILE A 6 0.566 11.202 -8.812 1.00 0.69 H new ATOM 0 HD13 ILE A 6 2.055 10.253 -8.593 1.00 0.69 H new ATOM 325 N PRO A 7 1.482 8.067 -14.100 1.00 0.53 N ATOM 326 CA PRO A 7 1.055 6.929 -14.915 1.00 0.55 C ATOM 327 C PRO A 7 -0.226 6.288 -14.410 1.00 0.53 C ATOM 328 O PRO A 7 -0.244 5.646 -13.355 1.00 0.52 O ATOM 329 CB PRO A 7 2.229 5.969 -14.783 1.00 0.55 C ATOM 330 CG PRO A 7 3.419 6.861 -14.697 1.00 0.60 C ATOM 331 CD PRO A 7 2.958 8.124 -14.010 1.00 0.54 C ATOM 0 HA PRO A 7 0.824 7.218 -15.940 1.00 0.55 H new ATOM 0 HB2 PRO A 7 2.135 5.343 -13.895 1.00 0.55 H new ATOM 0 HB3 PRO A 7 2.294 5.299 -15.640 1.00 0.55 H new ATOM 0 HG2 PRO A 7 4.222 6.384 -14.135 1.00 0.60 H new ATOM 0 HG3 PRO A 7 3.812 7.080 -15.690 1.00 0.60 H new ATOM 0 HD2 PRO A 7 3.293 8.159 -12.973 1.00 0.54 H new ATOM 0 HD3 PRO A 7 3.353 9.012 -14.502 1.00 0.54 H new ATOM 339 N ALA A 8 -1.299 6.472 -15.172 1.00 0.55 N ATOM 340 CA ALA A 8 -2.617 6.001 -14.782 1.00 0.54 C ATOM 341 C ALA A 8 -2.647 4.487 -14.624 1.00 0.55 C ATOM 342 O ALA A 8 -3.555 3.947 -13.997 1.00 0.56 O ATOM 343 CB ALA A 8 -3.667 6.452 -15.785 1.00 0.57 C ATOM 0 H ALA A 8 -1.277 6.950 -16.073 1.00 0.55 H new ATOM 0 HA ALA A 8 -2.849 6.441 -13.812 1.00 0.54 H new ATOM 0 HB1 ALA A 8 -4.647 6.089 -15.474 1.00 0.57 H new ATOM 0 HB2 ALA A 8 -3.682 7.541 -15.832 1.00 0.57 H new ATOM 0 HB3 ALA A 8 -3.426 6.050 -16.769 1.00 0.57 H new ATOM 349 N ASP A 9 -1.651 3.802 -15.175 1.00 0.55 N ATOM 350 CA ASP A 9 -1.578 2.357 -15.019 1.00 0.57 C ATOM 351 C ASP A 9 -1.291 2.023 -13.563 1.00 0.54 C ATOM 352 O ASP A 9 -1.793 1.049 -13.018 1.00 0.55 O ATOM 353 CB ASP A 9 -0.488 1.754 -15.910 1.00 0.61 C ATOM 354 CG ASP A 9 -0.861 1.757 -17.377 1.00 0.93 C ATOM 355 OD1 ASP A 9 -1.752 0.979 -17.771 1.00 1.33 O ATOM 356 OD2 ASP A 9 -0.277 2.552 -18.143 1.00 1.37 O ATOM 0 H ASP A 9 -0.897 4.216 -15.723 1.00 0.55 H new ATOM 0 HA ASP A 9 -2.534 1.930 -15.321 1.00 0.57 H new ATOM 0 HB2 ASP A 9 0.437 2.314 -15.774 1.00 0.61 H new ATOM 0 HB3 ASP A 9 -0.290 0.730 -15.592 1.00 0.61 H new ATOM 361 N TYR A 10 -0.484 2.886 -12.950 1.00 0.52 N ATOM 362 CA TYR A 10 -0.021 2.714 -11.578 1.00 0.50 C ATOM 363 C TYR A 10 -0.990 3.353 -10.587 1.00 0.49 C ATOM 364 O TYR A 10 -1.049 2.957 -9.424 1.00 0.51 O ATOM 365 CB TYR A 10 1.380 3.333 -11.443 1.00 0.52 C ATOM 366 CG TYR A 10 1.843 3.564 -10.019 1.00 0.53 C ATOM 367 CD1 TYR A 10 2.312 2.519 -9.235 1.00 0.59 C ATOM 368 CD2 TYR A 10 1.807 4.837 -9.461 1.00 0.59 C ATOM 369 CE1 TYR A 10 2.733 2.734 -7.936 1.00 0.66 C ATOM 370 CE2 TYR A 10 2.226 5.060 -8.165 1.00 0.66 C ATOM 371 CZ TYR A 10 2.687 4.006 -7.406 1.00 0.70 C ATOM 372 OH TYR A 10 3.101 4.225 -6.112 1.00 0.80 O ATOM 0 H TYR A 10 -0.131 3.732 -13.397 1.00 0.52 H new ATOM 0 HA TYR A 10 0.026 1.650 -11.347 1.00 0.50 H new ATOM 0 HB2 TYR A 10 2.098 2.682 -11.942 1.00 0.52 H new ATOM 0 HB3 TYR A 10 1.392 4.286 -11.972 1.00 0.52 H new ATOM 0 HD1 TYR A 10 2.349 1.521 -9.647 1.00 0.59 H new ATOM 0 HD2 TYR A 10 1.445 5.665 -10.052 1.00 0.59 H new ATOM 0 HE1 TYR A 10 3.096 1.910 -7.340 1.00 0.66 H new ATOM 0 HE2 TYR A 10 2.193 6.056 -7.748 1.00 0.66 H new ATOM 0 HH TYR A 10 3.005 5.176 -5.894 1.00 0.80 H new ATOM 382 N ARG A 11 -1.761 4.340 -11.036 1.00 0.48 N ATOM 383 CA ARG A 11 -2.750 4.954 -10.155 1.00 0.49 C ATOM 384 C ARG A 11 -3.886 3.968 -9.920 1.00 0.50 C ATOM 385 O ARG A 11 -4.599 4.040 -8.923 1.00 0.54 O ATOM 386 CB ARG A 11 -3.285 6.271 -10.723 1.00 0.51 C ATOM 387 CG ARG A 11 -2.207 7.316 -10.967 1.00 0.48 C ATOM 388 CD ARG A 11 -2.802 8.682 -11.275 1.00 0.60 C ATOM 389 NE ARG A 11 -3.756 8.642 -12.385 1.00 0.88 N ATOM 390 CZ ARG A 11 -3.857 9.586 -13.321 1.00 1.19 C ATOM 391 NH1 ARG A 11 -3.022 10.618 -13.327 1.00 1.61 N ATOM 392 NH2 ARG A 11 -4.791 9.490 -14.260 1.00 1.73 N ATOM 0 H ARG A 11 -1.723 4.724 -11.980 1.00 0.48 H new ATOM 0 HA ARG A 11 -2.267 5.194 -9.208 1.00 0.49 H new ATOM 0 HB2 ARG A 11 -3.801 6.068 -11.662 1.00 0.51 H new ATOM 0 HB3 ARG A 11 -4.025 6.679 -10.034 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -1.566 7.389 -10.088 1.00 0.48 H new ATOM 0 HG3 ARG A 11 -1.575 6.999 -11.797 1.00 0.48 H new ATOM 0 HD2 ARG A 11 -3.301 9.066 -10.385 1.00 0.60 H new ATOM 0 HD3 ARG A 11 -1.999 9.378 -11.516 1.00 0.60 H new ATOM 0 HE ARG A 11 -4.384 7.840 -12.446 1.00 0.88 H new ATOM 0 HH11 ARG A 11 -2.298 10.692 -12.613 1.00 1.61 H new ATOM 0 HH12 ARG A 11 -3.105 11.337 -14.046 1.00 1.61 H new ATOM 0 HH21 ARG A 11 -5.430 8.695 -14.264 1.00 1.73 H new ATOM 0 HH22 ARG A 11 -4.870 10.211 -14.977 1.00 1.73 H new ATOM 406 N ASP A 12 -4.018 3.036 -10.859 1.00 0.48 N ATOM 407 CA ASP A 12 -4.934 1.908 -10.740 1.00 0.50 C ATOM 408 C ASP A 12 -4.497 0.980 -9.609 1.00 0.52 C ATOM 409 O ASP A 12 -5.297 0.228 -9.059 1.00 0.62 O ATOM 410 CB ASP A 12 -4.954 1.123 -12.052 1.00 0.51 C ATOM 411 CG ASP A 12 -6.348 1.010 -12.638 1.00 0.76 C ATOM 412 OD1 ASP A 12 -7.195 0.312 -12.039 1.00 0.99 O ATOM 413 OD2 ASP A 12 -6.611 1.623 -13.693 1.00 1.02 O ATOM 0 H ASP A 12 -3.488 3.043 -11.730 1.00 0.48 H new ATOM 0 HA ASP A 12 -5.930 2.292 -10.520 1.00 0.50 H new ATOM 0 HB2 ASP A 12 -4.298 1.610 -12.774 1.00 0.51 H new ATOM 0 HB3 ASP A 12 -4.553 0.124 -11.880 1.00 0.51 H new ATOM 418 N LEU A 13 -3.204 1.026 -9.298 1.00 0.50 N ATOM 419 CA LEU A 13 -2.629 0.234 -8.219 1.00 0.53 C ATOM 420 C LEU A 13 -2.886 0.895 -6.871 1.00 0.62 C ATOM 421 O LEU A 13 -3.250 0.231 -5.905 1.00 0.93 O ATOM 422 CB LEU A 13 -1.114 0.068 -8.423 1.00 0.49 C ATOM 423 CG LEU A 13 -0.671 -1.022 -9.406 1.00 0.44 C ATOM 424 CD1 LEU A 13 -1.279 -0.830 -10.780 1.00 0.78 C ATOM 425 CD2 LEU A 13 0.844 -1.059 -9.500 1.00 0.88 C ATOM 0 H LEU A 13 -2.528 1.613 -9.787 1.00 0.50 H new ATOM 0 HA LEU A 13 -3.105 -0.747 -8.232 1.00 0.53 H new ATOM 0 HB2 LEU A 13 -0.710 1.021 -8.765 1.00 0.49 H new ATOM 0 HB3 LEU A 13 -0.660 -0.141 -7.454 1.00 0.49 H new ATOM 0 HG LEU A 13 -1.032 -1.976 -9.021 1.00 0.44 H new ATOM 0 HD11 LEU A 13 -0.938 -1.625 -11.443 1.00 0.78 H new ATOM 0 HD12 LEU A 13 -2.366 -0.862 -10.705 1.00 0.78 H new ATOM 0 HD13 LEU A 13 -0.972 0.135 -11.182 1.00 0.78 H new ATOM 0 HD21 LEU A 13 1.146 -1.837 -10.201 1.00 0.88 H new ATOM 0 HD22 LEU A 13 1.211 -0.094 -9.849 1.00 0.88 H new ATOM 0 HD23 LEU A 13 1.264 -1.273 -8.517 1.00 0.88 H new ATOM 437 N MET A 14 -2.692 2.209 -6.819 1.00 0.55 N ATOM 438 CA MET A 14 -2.844 2.948 -5.572 1.00 0.64 C ATOM 439 C MET A 14 -4.304 2.977 -5.133 1.00 0.55 C ATOM 440 O MET A 14 -5.197 3.278 -5.924 1.00 0.53 O ATOM 441 CB MET A 14 -2.305 4.378 -5.707 1.00 0.82 C ATOM 442 CG MET A 14 -0.792 4.444 -5.858 1.00 0.97 C ATOM 443 SD MET A 14 -0.118 6.098 -5.568 1.00 1.15 S ATOM 444 CE MET A 14 -0.891 7.040 -6.882 1.00 1.04 C ATOM 0 H MET A 14 -2.431 2.781 -7.622 1.00 0.55 H new ATOM 0 HA MET A 14 -2.261 2.432 -4.810 1.00 0.64 H new ATOM 0 HB2 MET A 14 -2.770 4.853 -6.571 1.00 0.82 H new ATOM 0 HB3 MET A 14 -2.600 4.954 -4.830 1.00 0.82 H new ATOM 0 HG2 MET A 14 -0.333 3.744 -5.160 1.00 0.97 H new ATOM 0 HG3 MET A 14 -0.519 4.118 -6.862 1.00 0.97 H new ATOM 0 HE1 MET A 14 -0.608 8.089 -6.793 1.00 1.04 H new ATOM 0 HE2 MET A 14 -0.562 6.656 -7.847 1.00 1.04 H new ATOM 0 HE3 MET A 14 -1.975 6.949 -6.806 1.00 1.04 H new ATOM 454 N PRO A 15 -4.556 2.656 -3.853 1.00 0.62 N ATOM 455 CA PRO A 15 -5.908 2.621 -3.294 1.00 0.67 C ATOM 456 C PRO A 15 -6.572 3.997 -3.316 1.00 0.59 C ATOM 457 O PRO A 15 -5.893 5.025 -3.267 1.00 0.57 O ATOM 458 CB PRO A 15 -5.694 2.153 -1.848 1.00 0.88 C ATOM 459 CG PRO A 15 -4.263 2.443 -1.551 1.00 0.90 C ATOM 460 CD PRO A 15 -3.535 2.301 -2.853 1.00 0.74 C ATOM 0 HA PRO A 15 -6.568 1.970 -3.867 1.00 0.67 H new ATOM 0 HB2 PRO A 15 -6.354 2.683 -1.161 1.00 0.88 H new ATOM 0 HB3 PRO A 15 -5.911 1.090 -1.742 1.00 0.88 H new ATOM 0 HG2 PRO A 15 -4.144 3.448 -1.145 1.00 0.90 H new ATOM 0 HG3 PRO A 15 -3.871 1.750 -0.807 1.00 0.90 H new ATOM 0 HD2 PRO A 15 -2.672 2.965 -2.906 1.00 0.74 H new ATOM 0 HD3 PRO A 15 -3.165 1.286 -2.998 1.00 0.74 H new ATOM 468 N PRO A 16 -7.920 4.019 -3.385 1.00 0.65 N ATOM 469 CA PRO A 16 -8.712 5.257 -3.457 1.00 0.70 C ATOM 470 C PRO A 16 -8.378 6.238 -2.342 1.00 0.71 C ATOM 471 O PRO A 16 -8.543 7.446 -2.498 1.00 0.74 O ATOM 472 CB PRO A 16 -10.156 4.768 -3.311 1.00 0.85 C ATOM 473 CG PRO A 16 -10.128 3.363 -3.798 1.00 0.96 C ATOM 474 CD PRO A 16 -8.784 2.820 -3.407 1.00 0.76 C ATOM 0 HA PRO A 16 -8.517 5.801 -4.381 1.00 0.70 H new ATOM 0 HB2 PRO A 16 -10.490 4.822 -2.275 1.00 0.85 H new ATOM 0 HB3 PRO A 16 -10.842 5.378 -3.899 1.00 0.85 H new ATOM 0 HG2 PRO A 16 -10.931 2.778 -3.350 1.00 0.96 H new ATOM 0 HG3 PRO A 16 -10.267 3.321 -4.878 1.00 0.96 H new ATOM 0 HD2 PRO A 16 -8.817 2.331 -2.433 1.00 0.76 H new ATOM 0 HD3 PRO A 16 -8.426 2.081 -4.123 1.00 0.76 H new ATOM 482 N GLU A 17 -7.922 5.704 -1.219 1.00 0.78 N ATOM 483 CA GLU A 17 -7.489 6.517 -0.093 1.00 0.89 C ATOM 484 C GLU A 17 -6.262 7.349 -0.469 1.00 0.84 C ATOM 485 O GLU A 17 -6.243 8.562 -0.279 1.00 1.13 O ATOM 486 CB GLU A 17 -7.186 5.614 1.106 1.00 1.09 C ATOM 487 CG GLU A 17 -8.413 4.883 1.629 1.00 1.48 C ATOM 488 CD GLU A 17 -8.076 3.750 2.579 1.00 1.36 C ATOM 489 OE1 GLU A 17 -7.712 4.040 3.739 1.00 1.83 O ATOM 490 OE2 GLU A 17 -8.142 2.573 2.169 1.00 1.65 O ATOM 0 H GLU A 17 -7.842 4.699 -1.063 1.00 0.78 H new ATOM 0 HA GLU A 17 -8.289 7.206 0.177 1.00 0.89 H new ATOM 0 HB2 GLU A 17 -6.430 4.883 0.820 1.00 1.09 H new ATOM 0 HB3 GLU A 17 -6.760 6.217 1.908 1.00 1.09 H new ATOM 0 HG2 GLU A 17 -9.062 5.595 2.139 1.00 1.48 H new ATOM 0 HG3 GLU A 17 -8.977 4.485 0.786 1.00 1.48 H new ATOM 497 N ALA A 18 -5.252 6.698 -1.036 1.00 0.72 N ATOM 498 CA ALA A 18 -4.014 7.377 -1.412 1.00 0.73 C ATOM 499 C ALA A 18 -4.256 8.363 -2.549 1.00 0.62 C ATOM 500 O ALA A 18 -3.586 9.395 -2.649 1.00 0.72 O ATOM 501 CB ALA A 18 -2.953 6.360 -1.808 1.00 0.82 C ATOM 0 H ALA A 18 -5.265 5.700 -1.246 1.00 0.72 H new ATOM 0 HA ALA A 18 -3.657 7.938 -0.548 1.00 0.73 H new ATOM 0 HB1 ALA A 18 -2.036 6.880 -2.086 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -2.753 5.696 -0.967 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -3.309 5.774 -2.656 1.00 0.82 H new ATOM 507 N ARG A 19 -5.224 8.038 -3.392 1.00 0.52 N ATOM 508 CA ARG A 19 -5.583 8.886 -4.519 1.00 0.49 C ATOM 509 C ARG A 19 -6.380 10.097 -4.044 1.00 0.50 C ATOM 510 O ARG A 19 -6.271 11.179 -4.613 1.00 0.52 O ATOM 511 CB ARG A 19 -6.386 8.072 -5.539 1.00 0.52 C ATOM 512 CG ARG A 19 -5.621 6.870 -6.069 1.00 0.64 C ATOM 513 CD ARG A 19 -6.523 5.889 -6.796 1.00 0.72 C ATOM 514 NE ARG A 19 -7.045 6.417 -8.054 1.00 1.01 N ATOM 515 CZ ARG A 19 -7.511 5.647 -9.035 1.00 1.43 C ATOM 516 NH1 ARG A 19 -7.480 4.325 -8.914 1.00 1.46 N ATOM 517 NH2 ARG A 19 -7.989 6.194 -10.144 1.00 2.16 N ATOM 0 H ARG A 19 -5.779 7.186 -3.316 1.00 0.52 H new ATOM 0 HA ARG A 19 -4.673 9.250 -4.997 1.00 0.49 H new ATOM 0 HB2 ARG A 19 -7.313 7.732 -5.077 1.00 0.52 H new ATOM 0 HB3 ARG A 19 -6.664 8.716 -6.373 1.00 0.52 H new ATOM 0 HG2 ARG A 19 -4.837 7.210 -6.746 1.00 0.64 H new ATOM 0 HG3 ARG A 19 -5.128 6.362 -5.240 1.00 0.64 H new ATOM 0 HD2 ARG A 19 -5.967 4.973 -6.996 1.00 0.72 H new ATOM 0 HD3 ARG A 19 -7.357 5.621 -6.147 1.00 0.72 H new ATOM 0 HE ARG A 19 -7.053 7.428 -8.188 1.00 1.01 H new ATOM 0 HH11 ARG A 19 -7.099 3.899 -8.069 1.00 1.46 H new ATOM 0 HH12 ARG A 19 -7.837 3.736 -9.666 1.00 1.46 H new ATOM 0 HH21 ARG A 19 -8.001 7.209 -10.248 1.00 2.16 H new ATOM 0 HH22 ARG A 19 -8.345 5.600 -10.893 1.00 2.16 H new ATOM 531 N ASP A 20 -7.167 9.897 -2.987 1.00 0.53 N ATOM 532 CA ASP A 20 -7.960 10.969 -2.368 1.00 0.57 C ATOM 533 C ASP A 20 -7.091 12.177 -2.029 1.00 0.56 C ATOM 534 O ASP A 20 -7.458 13.317 -2.313 1.00 0.57 O ATOM 535 CB ASP A 20 -8.649 10.451 -1.099 1.00 0.63 C ATOM 536 CG ASP A 20 -9.417 11.528 -0.351 1.00 0.80 C ATOM 537 OD1 ASP A 20 -10.466 11.980 -0.864 1.00 1.06 O ATOM 538 OD2 ASP A 20 -8.990 11.913 0.762 1.00 0.98 O ATOM 0 H ASP A 20 -7.276 8.990 -2.533 1.00 0.53 H new ATOM 0 HA ASP A 20 -8.716 11.284 -3.088 1.00 0.57 H new ATOM 0 HB2 ASP A 20 -9.334 9.646 -1.368 1.00 0.63 H new ATOM 0 HB3 ASP A 20 -7.898 10.022 -0.435 1.00 0.63 H new ATOM 543 N PHE A 21 -5.940 11.913 -1.430 1.00 0.57 N ATOM 544 CA PHE A 21 -4.994 12.961 -1.059 1.00 0.57 C ATOM 545 C PHE A 21 -4.562 13.791 -2.276 1.00 0.55 C ATOM 546 O PHE A 21 -4.860 14.978 -2.327 1.00 0.64 O ATOM 547 CB PHE A 21 -3.790 12.342 -0.336 1.00 0.60 C ATOM 548 CG PHE A 21 -2.892 13.332 0.355 1.00 0.59 C ATOM 549 CD1 PHE A 21 -3.198 13.791 1.624 1.00 0.62 C ATOM 550 CD2 PHE A 21 -1.739 13.790 -0.258 1.00 0.64 C ATOM 551 CE1 PHE A 21 -2.373 14.693 2.269 1.00 0.65 C ATOM 552 CE2 PHE A 21 -0.908 14.691 0.384 1.00 0.65 C ATOM 553 CZ PHE A 21 -1.227 15.143 1.647 1.00 0.63 C ATOM 0 H PHE A 21 -5.634 10.971 -1.187 1.00 0.57 H new ATOM 0 HA PHE A 21 -5.490 13.650 -0.375 1.00 0.57 H new ATOM 0 HB2 PHE A 21 -4.155 11.627 0.402 1.00 0.60 H new ATOM 0 HB3 PHE A 21 -3.199 11.780 -1.059 1.00 0.60 H new ATOM 0 HD1 PHE A 21 -4.093 13.440 2.117 1.00 0.62 H new ATOM 0 HD2 PHE A 21 -1.485 13.441 -1.248 1.00 0.64 H new ATOM 0 HE1 PHE A 21 -2.625 15.045 3.258 1.00 0.65 H new ATOM 0 HE2 PHE A 21 -0.010 15.040 -0.104 1.00 0.65 H new ATOM 0 HZ PHE A 21 -0.581 15.848 2.148 1.00 0.63 H new ATOM 563 N LEU A 22 -3.902 13.208 -3.261 1.00 0.56 N ATOM 564 CA LEU A 22 -3.456 14.002 -4.415 1.00 0.55 C ATOM 565 C LEU A 22 -4.609 14.388 -5.339 1.00 0.54 C ATOM 566 O LEU A 22 -4.423 15.200 -6.246 1.00 0.57 O ATOM 567 CB LEU A 22 -2.365 13.301 -5.214 1.00 0.56 C ATOM 568 CG LEU A 22 -0.988 13.273 -4.569 1.00 0.65 C ATOM 569 CD1 LEU A 22 -0.014 12.537 -5.471 1.00 1.04 C ATOM 570 CD2 LEU A 22 -0.503 14.687 -4.301 1.00 1.13 C ATOM 0 H LEU A 22 -3.663 12.217 -3.296 1.00 0.56 H new ATOM 0 HA LEU A 22 -3.038 14.916 -3.994 1.00 0.55 H new ATOM 0 HB2 LEU A 22 -2.680 12.274 -5.400 1.00 0.56 H new ATOM 0 HB3 LEU A 22 -2.281 13.789 -6.185 1.00 0.56 H new ATOM 0 HG LEU A 22 -1.051 12.747 -3.616 1.00 0.65 H new ATOM 0 HD11 LEU A 22 0.971 12.519 -5.005 1.00 1.04 H new ATOM 0 HD12 LEU A 22 -0.361 11.515 -5.624 1.00 1.04 H new ATOM 0 HD13 LEU A 22 0.048 13.047 -6.432 1.00 1.04 H new ATOM 0 HD21 LEU A 22 0.484 14.652 -3.839 1.00 1.13 H new ATOM 0 HD22 LEU A 22 -0.444 15.236 -5.241 1.00 1.13 H new ATOM 0 HD23 LEU A 22 -1.200 15.190 -3.630 1.00 1.13 H new ATOM 582 N GLN A 23 -5.779 13.826 -5.130 1.00 0.52 N ATOM 583 CA GLN A 23 -6.983 14.371 -5.735 1.00 0.52 C ATOM 584 C GLN A 23 -7.309 15.739 -5.119 1.00 0.53 C ATOM 585 O GLN A 23 -7.765 16.649 -5.805 1.00 0.54 O ATOM 586 CB GLN A 23 -8.152 13.410 -5.521 1.00 0.53 C ATOM 587 CG GLN A 23 -9.466 13.878 -6.120 1.00 0.78 C ATOM 588 CD GLN A 23 -10.595 12.911 -5.835 1.00 1.38 C ATOM 589 OE1 GLN A 23 -10.594 12.226 -4.813 1.00 2.05 O ATOM 590 NE2 GLN A 23 -11.565 12.846 -6.730 1.00 2.06 N ATOM 0 H GLN A 23 -5.926 12.999 -4.552 1.00 0.52 H new ATOM 0 HA GLN A 23 -6.817 14.497 -6.805 1.00 0.52 H new ATOM 0 HB2 GLN A 23 -7.895 12.442 -5.952 1.00 0.53 H new ATOM 0 HB3 GLN A 23 -8.289 13.256 -4.451 1.00 0.53 H new ATOM 0 HG2 GLN A 23 -9.719 14.859 -5.718 1.00 0.78 H new ATOM 0 HG3 GLN A 23 -9.352 13.995 -7.198 1.00 0.78 H new ATOM 0 HE21 GLN A 23 -11.529 13.431 -7.565 1.00 2.06 H new ATOM 0 HE22 GLN A 23 -12.350 12.211 -6.586 1.00 2.06 H new ATOM 599 N ASN A 24 -7.061 15.866 -3.814 1.00 0.58 N ATOM 600 CA ASN A 24 -7.349 17.099 -3.083 1.00 0.65 C ATOM 601 C ASN A 24 -6.254 18.131 -3.296 1.00 0.60 C ATOM 602 O ASN A 24 -6.532 19.297 -3.587 1.00 0.63 O ATOM 603 CB ASN A 24 -7.510 16.820 -1.584 1.00 0.85 C ATOM 604 CG ASN A 24 -8.921 16.410 -1.202 1.00 1.10 C ATOM 605 OD1 ASN A 24 -9.754 17.252 -0.864 1.00 1.84 O ATOM 606 ND2 ASN A 24 -9.201 15.120 -1.244 1.00 1.21 N ATOM 0 H ASN A 24 -6.659 15.125 -3.240 1.00 0.58 H new ATOM 0 HA ASN A 24 -8.286 17.498 -3.472 1.00 0.65 H new ATOM 0 HB2 ASN A 24 -6.817 16.031 -1.291 1.00 0.85 H new ATOM 0 HB3 ASN A 24 -7.233 17.712 -1.023 1.00 0.85 H new ATOM 0 HD21 ASN A 24 -10.133 14.792 -0.991 1.00 1.21 H new ATOM 0 HD22 ASN A 24 -8.485 14.452 -1.529 1.00 1.21 H new ATOM 613 N LEU A 25 -5.010 17.703 -3.129 1.00 0.60 N ATOM 614 CA LEU A 25 -3.864 18.575 -3.306 1.00 0.65 C ATOM 615 C LEU A 25 -3.831 19.186 -4.698 1.00 0.64 C ATOM 616 O LEU A 25 -3.937 18.490 -5.707 1.00 0.64 O ATOM 617 CB LEU A 25 -2.577 17.803 -3.044 1.00 0.76 C ATOM 618 CG LEU A 25 -2.197 17.610 -1.582 1.00 0.59 C ATOM 619 CD1 LEU A 25 -1.966 18.946 -0.937 1.00 0.81 C ATOM 620 CD2 LEU A 25 -3.251 16.853 -0.808 1.00 1.05 C ATOM 0 H LEU A 25 -4.771 16.746 -2.868 1.00 0.60 H new ATOM 0 HA LEU A 25 -3.952 19.390 -2.588 1.00 0.65 H new ATOM 0 HB2 LEU A 25 -2.666 16.821 -3.508 1.00 0.76 H new ATOM 0 HB3 LEU A 25 -1.759 18.320 -3.546 1.00 0.76 H new ATOM 0 HG LEU A 25 -1.283 17.016 -1.561 1.00 0.59 H new ATOM 0 HD11 LEU A 25 -1.694 18.803 0.109 1.00 0.81 H new ATOM 0 HD12 LEU A 25 -1.159 19.465 -1.454 1.00 0.81 H new ATOM 0 HD13 LEU A 25 -2.877 19.541 -0.997 1.00 0.81 H new ATOM 0 HD21 LEU A 25 -2.932 16.742 0.228 1.00 1.05 H new ATOM 0 HD22 LEU A 25 -4.192 17.403 -0.841 1.00 1.05 H new ATOM 0 HD23 LEU A 25 -3.391 15.867 -1.252 1.00 1.05 H new ATOM 632 N SER A 26 -3.634 20.498 -4.738 1.00 0.73 N ATOM 633 CA SER A 26 -3.677 21.229 -5.989 1.00 0.83 C ATOM 634 C SER A 26 -2.456 22.139 -6.145 1.00 1.02 C ATOM 635 O SER A 26 -1.412 21.698 -6.632 1.00 1.78 O ATOM 636 CB SER A 26 -4.973 22.039 -6.081 1.00 0.93 C ATOM 637 OG SER A 26 -6.096 21.221 -5.807 1.00 1.72 O ATOM 0 H SER A 26 -3.443 21.073 -3.917 1.00 0.73 H new ATOM 0 HA SER A 26 -3.655 20.508 -6.806 1.00 0.83 H new ATOM 0 HB2 SER A 26 -4.940 22.868 -5.374 1.00 0.93 H new ATOM 0 HB3 SER A 26 -5.067 22.472 -7.077 1.00 0.93 H new ATOM 0 HG SER A 26 -6.914 21.757 -5.869 1.00 1.72 H new ATOM 643 N ASP A 27 -2.566 23.377 -5.680 1.00 0.96 N ATOM 644 CA ASP A 27 -1.534 24.379 -5.928 1.00 1.11 C ATOM 645 C ASP A 27 -1.017 25.004 -4.633 1.00 1.13 C ATOM 646 O ASP A 27 0.162 24.865 -4.305 1.00 1.95 O ATOM 647 CB ASP A 27 -2.084 25.462 -6.862 1.00 1.42 C ATOM 648 CG ASP A 27 -1.243 26.723 -6.882 1.00 1.84 C ATOM 649 OD1 ASP A 27 -0.174 26.707 -7.523 1.00 2.39 O ATOM 650 OD2 ASP A 27 -1.629 27.723 -6.241 1.00 2.19 O ATOM 0 H ASP A 27 -3.357 23.712 -5.130 1.00 0.96 H new ATOM 0 HA ASP A 27 -0.689 23.880 -6.402 1.00 1.11 H new ATOM 0 HB2 ASP A 27 -2.148 25.061 -7.873 1.00 1.42 H new ATOM 0 HB3 ASP A 27 -3.099 25.716 -6.555 1.00 1.42 H new ATOM 655 N GLY A 28 -1.900 25.673 -3.899 1.00 0.93 N ATOM 656 CA GLY A 28 -1.493 26.385 -2.699 1.00 0.87 C ATOM 657 C GLY A 28 -0.911 25.475 -1.636 1.00 0.75 C ATOM 658 O GLY A 28 0.129 25.774 -1.051 1.00 0.73 O ATOM 0 H GLY A 28 -2.895 25.735 -4.114 1.00 0.93 H new ATOM 0 HA2 GLY A 28 -0.755 27.141 -2.965 1.00 0.87 H new ATOM 0 HA3 GLY A 28 -2.354 26.911 -2.287 1.00 0.87 H new ATOM 662 N ASP A 29 -1.577 24.354 -1.391 1.00 0.70 N ATOM 663 CA ASP A 29 -1.120 23.401 -0.387 1.00 0.67 C ATOM 664 C ASP A 29 0.111 22.669 -0.880 1.00 0.59 C ATOM 665 O ASP A 29 0.993 22.317 -0.106 1.00 0.60 O ATOM 666 CB ASP A 29 -2.220 22.390 -0.049 1.00 0.80 C ATOM 667 CG ASP A 29 -3.440 23.029 0.584 1.00 1.47 C ATOM 668 OD1 ASP A 29 -3.469 23.168 1.824 1.00 1.74 O ATOM 669 OD2 ASP A 29 -4.378 23.388 -0.159 1.00 2.25 O ATOM 0 H ASP A 29 -2.434 24.082 -1.873 1.00 0.70 H new ATOM 0 HA ASP A 29 -0.871 23.958 0.516 1.00 0.67 H new ATOM 0 HB2 ASP A 29 -2.520 21.871 -0.959 1.00 0.80 H new ATOM 0 HB3 ASP A 29 -1.818 21.638 0.629 1.00 0.80 H new ATOM 674 N LYS A 30 0.167 22.460 -2.187 1.00 0.63 N ATOM 675 CA LYS A 30 1.277 21.778 -2.822 1.00 0.65 C ATOM 676 C LYS A 30 2.602 22.456 -2.485 1.00 0.61 C ATOM 677 O LYS A 30 3.631 21.798 -2.335 1.00 0.65 O ATOM 678 CB LYS A 30 1.044 21.784 -4.326 1.00 0.78 C ATOM 679 CG LYS A 30 1.890 20.791 -5.081 1.00 0.92 C ATOM 680 CD LYS A 30 1.689 19.380 -4.556 1.00 0.89 C ATOM 681 CE LYS A 30 0.219 18.986 -4.494 1.00 0.96 C ATOM 682 NZ LYS A 30 -0.494 19.214 -5.780 1.00 1.31 N ATOM 0 H LYS A 30 -0.560 22.761 -2.836 1.00 0.63 H new ATOM 0 HA LYS A 30 1.334 20.753 -2.455 1.00 0.65 H new ATOM 0 HB2 LYS A 30 -0.007 21.573 -4.521 1.00 0.78 H new ATOM 0 HB3 LYS A 30 1.245 22.784 -4.711 1.00 0.78 H new ATOM 0 HG2 LYS A 30 1.637 20.826 -6.141 1.00 0.92 H new ATOM 0 HG3 LYS A 30 2.941 21.067 -4.995 1.00 0.92 H new ATOM 0 HD2 LYS A 30 2.224 18.678 -5.196 1.00 0.89 H new ATOM 0 HD3 LYS A 30 2.126 19.300 -3.561 1.00 0.89 H new ATOM 0 HE2 LYS A 30 0.141 17.933 -4.222 1.00 0.96 H new ATOM 0 HE3 LYS A 30 -0.272 19.556 -3.705 1.00 0.96 H new ATOM 0 HZ1 LYS A 30 -1.360 18.639 -5.803 1.00 1.31 H new ATOM 0 HZ2 LYS A 30 -0.744 20.220 -5.865 1.00 1.31 H new ATOM 0 HZ3 LYS A 30 0.123 18.943 -6.572 1.00 1.31 H new ATOM 696 N THR A 31 2.545 23.771 -2.365 1.00 0.60 N ATOM 697 CA THR A 31 3.686 24.585 -1.983 1.00 0.61 C ATOM 698 C THR A 31 4.354 24.083 -0.701 1.00 0.52 C ATOM 699 O THR A 31 5.580 24.029 -0.607 1.00 0.54 O ATOM 700 CB THR A 31 3.235 26.038 -1.761 1.00 0.68 C ATOM 701 OG1 THR A 31 2.732 26.587 -2.987 1.00 0.80 O ATOM 702 CG2 THR A 31 4.370 26.902 -1.235 1.00 0.76 C ATOM 0 H THR A 31 1.695 24.310 -2.532 1.00 0.60 H new ATOM 0 HA THR A 31 4.411 24.521 -2.795 1.00 0.61 H new ATOM 0 HB THR A 31 2.444 26.031 -1.011 1.00 0.68 H new ATOM 0 HG1 THR A 31 2.445 27.512 -2.838 1.00 0.80 H new ATOM 0 HG21 THR A 31 4.014 27.922 -1.090 1.00 0.76 H new ATOM 0 HG22 THR A 31 4.721 26.502 -0.284 1.00 0.76 H new ATOM 0 HG23 THR A 31 5.190 26.902 -1.953 1.00 0.76 H new ATOM 710 N VAL A 32 3.546 23.701 0.274 1.00 0.50 N ATOM 711 CA VAL A 32 4.063 23.393 1.591 1.00 0.50 C ATOM 712 C VAL A 32 4.516 21.931 1.689 1.00 0.47 C ATOM 713 O VAL A 32 5.360 21.595 2.522 1.00 0.48 O ATOM 714 CB VAL A 32 3.019 23.721 2.679 1.00 0.57 C ATOM 715 CG1 VAL A 32 1.931 22.674 2.736 1.00 0.60 C ATOM 716 CG2 VAL A 32 3.680 23.874 4.027 1.00 0.85 C ATOM 0 H VAL A 32 2.536 23.598 0.177 1.00 0.50 H new ATOM 0 HA VAL A 32 4.939 24.020 1.758 1.00 0.50 H new ATOM 0 HB VAL A 32 2.553 24.670 2.412 1.00 0.57 H new ATOM 0 HG11 VAL A 32 1.213 22.937 3.513 1.00 0.60 H new ATOM 0 HG12 VAL A 32 1.422 22.625 1.773 1.00 0.60 H new ATOM 0 HG13 VAL A 32 2.372 21.703 2.963 1.00 0.60 H new ATOM 0 HG21 VAL A 32 2.925 24.105 4.778 1.00 0.85 H new ATOM 0 HG22 VAL A 32 4.184 22.945 4.293 1.00 0.85 H new ATOM 0 HG23 VAL A 32 4.409 24.683 3.985 1.00 0.85 H new ATOM 720 N LEU A 33 3.955 21.069 0.838 1.00 0.48 N ATOM 721 CA LEU A 33 4.378 19.669 0.750 1.00 0.49 C ATOM 722 C LEU A 33 5.894 19.540 0.615 1.00 0.50 C ATOM 723 O LEU A 33 6.539 18.836 1.394 1.00 0.54 O ATOM 724 CB LEU A 33 3.709 18.985 -0.455 1.00 0.53 C ATOM 725 CG LEU A 33 2.354 18.305 -0.203 1.00 0.58 C ATOM 726 CD1 LEU A 33 2.495 17.188 0.813 1.00 0.98 C ATOM 727 CD2 LEU A 33 1.302 19.296 0.253 1.00 0.74 C ATOM 0 H LEU A 33 3.202 21.318 0.196 1.00 0.48 H new ATOM 0 HA LEU A 33 4.071 19.182 1.676 1.00 0.49 H new ATOM 0 HB2 LEU A 33 3.574 19.732 -1.237 1.00 0.53 H new ATOM 0 HB3 LEU A 33 4.398 18.236 -0.845 1.00 0.53 H new ATOM 0 HG LEU A 33 2.024 17.882 -1.152 1.00 0.58 H new ATOM 0 HD11 LEU A 33 1.524 16.720 0.977 1.00 0.98 H new ATOM 0 HD12 LEU A 33 3.198 16.443 0.440 1.00 0.98 H new ATOM 0 HD13 LEU A 33 2.864 17.596 1.754 1.00 0.98 H new ATOM 0 HD21 LEU A 33 0.359 18.775 0.420 1.00 0.74 H new ATOM 0 HD22 LEU A 33 1.625 19.768 1.181 1.00 0.74 H new ATOM 0 HD23 LEU A 33 1.164 20.059 -0.513 1.00 0.74 H new ATOM 739 N LYS A 34 6.461 20.238 -0.365 1.00 0.51 N ATOM 740 CA LYS A 34 7.890 20.130 -0.659 1.00 0.56 C ATOM 741 C LYS A 34 8.738 20.630 0.509 1.00 0.53 C ATOM 742 O LYS A 34 9.902 20.261 0.645 1.00 0.59 O ATOM 743 CB LYS A 34 8.230 20.906 -1.937 1.00 0.65 C ATOM 744 CG LYS A 34 7.892 22.385 -1.869 1.00 0.93 C ATOM 745 CD LYS A 34 8.091 23.066 -3.214 1.00 0.89 C ATOM 746 CE LYS A 34 7.744 24.546 -3.148 1.00 1.70 C ATOM 747 NZ LYS A 34 8.704 25.308 -2.305 1.00 2.41 N ATOM 0 H LYS A 34 5.955 20.885 -0.970 1.00 0.51 H new ATOM 0 HA LYS A 34 8.122 19.076 -0.812 1.00 0.56 H new ATOM 0 HB2 LYS A 34 9.294 20.796 -2.144 1.00 0.65 H new ATOM 0 HB3 LYS A 34 7.694 20.459 -2.775 1.00 0.65 H new ATOM 0 HG2 LYS A 34 6.858 22.508 -1.547 1.00 0.93 H new ATOM 0 HG3 LYS A 34 8.519 22.868 -1.119 1.00 0.93 H new ATOM 0 HD2 LYS A 34 9.127 22.948 -3.533 1.00 0.89 H new ATOM 0 HD3 LYS A 34 7.469 22.579 -3.965 1.00 0.89 H new ATOM 0 HE2 LYS A 34 7.737 24.962 -4.156 1.00 1.70 H new ATOM 0 HE3 LYS A 34 6.737 24.664 -2.748 1.00 1.70 H new ATOM 0 HZ1 LYS A 34 8.513 26.326 -2.395 1.00 2.41 H new ATOM 0 HZ2 LYS A 34 8.596 25.022 -1.311 1.00 2.41 H new ATOM 0 HZ3 LYS A 34 9.675 25.109 -2.619 1.00 2.41 H new ATOM 761 N GLU A 35 8.137 21.444 1.360 1.00 0.47 N ATOM 762 CA GLU A 35 8.824 21.998 2.518 1.00 0.47 C ATOM 763 C GLU A 35 8.953 20.954 3.623 1.00 0.46 C ATOM 764 O GLU A 35 9.812 21.058 4.497 1.00 0.57 O ATOM 765 CB GLU A 35 8.063 23.215 3.040 1.00 0.47 C ATOM 766 CG GLU A 35 7.851 24.302 2.000 1.00 0.61 C ATOM 767 CD GLU A 35 9.152 24.808 1.418 1.00 1.26 C ATOM 768 OE1 GLU A 35 9.964 25.373 2.175 1.00 1.47 O ATOM 769 OE2 GLU A 35 9.360 24.655 0.196 1.00 1.96 O ATOM 0 H GLU A 35 7.165 21.739 1.270 1.00 0.47 H new ATOM 0 HA GLU A 35 9.825 22.301 2.212 1.00 0.47 H new ATOM 0 HB2 GLU A 35 7.092 22.891 3.415 1.00 0.47 H new ATOM 0 HB3 GLU A 35 8.607 23.636 3.885 1.00 0.47 H new ATOM 0 HG2 GLU A 35 7.224 23.915 1.197 1.00 0.61 H new ATOM 0 HG3 GLU A 35 7.312 25.134 2.453 1.00 0.61 H new ATOM 776 N VAL A 36 8.091 19.954 3.580 1.00 0.41 N ATOM 777 CA VAL A 36 8.132 18.864 4.543 1.00 0.42 C ATOM 778 C VAL A 36 8.995 17.725 4.012 1.00 0.50 C ATOM 779 O VAL A 36 9.909 17.244 4.680 1.00 0.62 O ATOM 780 CB VAL A 36 6.711 18.341 4.838 1.00 0.43 C ATOM 781 CG1 VAL A 36 6.754 17.161 5.790 1.00 0.98 C ATOM 782 CG2 VAL A 36 5.845 19.455 5.402 1.00 0.74 C ATOM 0 H VAL A 36 7.349 19.873 2.885 1.00 0.41 H new ATOM 0 HA VAL A 36 8.565 19.245 5.468 1.00 0.42 H new ATOM 0 HB VAL A 36 6.271 18.000 3.901 1.00 0.43 H new ATOM 0 HG11 VAL A 36 5.740 16.811 5.982 1.00 0.98 H new ATOM 0 HG12 VAL A 36 7.338 16.355 5.345 1.00 0.98 H new ATOM 0 HG13 VAL A 36 7.216 17.467 6.729 1.00 0.98 H new ATOM 0 HG21 VAL A 36 4.845 19.071 5.605 1.00 0.74 H new ATOM 0 HG22 VAL A 36 6.286 19.826 6.327 1.00 0.74 H new ATOM 0 HG23 VAL A 36 5.781 20.268 4.679 1.00 0.74 H new ATOM 786 N PHE A 37 8.681 17.303 2.804 1.00 0.49 N ATOM 787 CA PHE A 37 9.409 16.269 2.097 1.00 0.54 C ATOM 788 C PHE A 37 10.885 16.582 1.893 1.00 0.59 C ATOM 789 O PHE A 37 11.723 15.696 2.039 1.00 0.66 O ATOM 790 CB PHE A 37 8.687 16.020 0.781 1.00 0.57 C ATOM 791 CG PHE A 37 7.439 15.227 1.049 1.00 0.57 C ATOM 792 CD1 PHE A 37 6.242 15.874 1.306 1.00 0.74 C ATOM 793 CD2 PHE A 37 7.443 13.845 0.972 1.00 0.66 C ATOM 794 CE1 PHE A 37 5.076 15.156 1.492 1.00 0.83 C ATOM 795 CE2 PHE A 37 6.279 13.123 1.146 1.00 0.68 C ATOM 796 CZ PHE A 37 5.173 13.746 1.678 1.00 0.71 C ATOM 0 H PHE A 37 7.894 17.678 2.274 1.00 0.49 H new ATOM 0 HA PHE A 37 9.418 15.366 2.707 1.00 0.54 H new ATOM 0 HB2 PHE A 37 8.436 16.968 0.305 1.00 0.57 H new ATOM 0 HB3 PHE A 37 9.336 15.479 0.092 1.00 0.57 H new ATOM 0 HD1 PHE A 37 6.219 16.952 1.362 1.00 0.74 H new ATOM 0 HD2 PHE A 37 8.368 13.325 0.773 1.00 0.66 H new ATOM 0 HE1 PHE A 37 4.116 15.650 1.496 1.00 0.83 H new ATOM 0 HE2 PHE A 37 6.237 12.080 0.868 1.00 0.68 H new ATOM 0 HZ PHE A 37 4.414 13.193 2.211 1.00 0.71 H new ATOM 806 N LYS A 38 11.229 17.828 1.588 1.00 0.60 N ATOM 807 CA LYS A 38 12.642 18.183 1.463 1.00 0.69 C ATOM 808 C LYS A 38 13.239 18.527 2.826 1.00 0.78 C ATOM 809 O LYS A 38 14.302 19.140 2.921 1.00 1.02 O ATOM 810 CB LYS A 38 12.867 19.317 0.462 1.00 0.75 C ATOM 811 CG LYS A 38 12.674 18.889 -0.984 1.00 0.76 C ATOM 812 CD LYS A 38 13.196 19.933 -1.957 1.00 0.91 C ATOM 813 CE LYS A 38 12.408 21.228 -1.875 1.00 1.37 C ATOM 814 NZ LYS A 38 12.947 22.263 -2.796 1.00 2.18 N ATOM 0 H LYS A 38 10.572 18.591 1.426 1.00 0.60 H new ATOM 0 HA LYS A 38 13.160 17.307 1.072 1.00 0.69 H new ATOM 0 HB2 LYS A 38 12.180 20.133 0.687 1.00 0.75 H new ATOM 0 HB3 LYS A 38 13.877 19.707 0.587 1.00 0.75 H new ATOM 0 HG2 LYS A 38 13.189 17.944 -1.155 1.00 0.76 H new ATOM 0 HG3 LYS A 38 11.615 18.714 -1.173 1.00 0.76 H new ATOM 0 HD2 LYS A 38 14.246 20.133 -1.745 1.00 0.91 H new ATOM 0 HD3 LYS A 38 13.145 19.541 -2.973 1.00 0.91 H new ATOM 0 HE2 LYS A 38 11.363 21.034 -2.118 1.00 1.37 H new ATOM 0 HE3 LYS A 38 12.432 21.604 -0.852 1.00 1.37 H new ATOM 0 HZ1 LYS A 38 12.382 23.132 -2.710 1.00 2.18 H new ATOM 0 HZ2 LYS A 38 13.936 22.467 -2.548 1.00 2.18 H new ATOM 0 HZ3 LYS A 38 12.900 21.915 -3.775 1.00 2.18 H new ATOM 828 N ALA A 39 12.538 18.124 3.875 1.00 0.71 N ATOM 829 CA ALA A 39 13.032 18.247 5.237 1.00 0.87 C ATOM 830 C ALA A 39 13.104 16.872 5.890 1.00 0.82 C ATOM 831 O ALA A 39 13.115 16.749 7.116 1.00 1.56 O ATOM 832 CB ALA A 39 12.150 19.185 6.047 1.00 1.06 C ATOM 0 H ALA A 39 11.612 17.703 3.806 1.00 0.71 H new ATOM 0 HA ALA A 39 14.035 18.673 5.209 1.00 0.87 H new ATOM 0 HB1 ALA A 39 12.538 19.262 7.063 1.00 1.06 H new ATOM 0 HB2 ALA A 39 12.146 20.172 5.584 1.00 1.06 H new ATOM 0 HB3 ALA A 39 11.133 18.794 6.076 1.00 1.06 H new ATOM 838 N GLY A 40 13.149 15.836 5.057 1.00 0.78 N ATOM 839 CA GLY A 40 13.330 14.483 5.553 1.00 1.03 C ATOM 840 C GLY A 40 14.790 14.194 5.847 1.00 1.29 C ATOM 841 O GLY A 40 15.552 15.121 6.125 1.00 1.54 O ATOM 0 H GLY A 40 13.063 15.910 4.043 1.00 0.78 H new ATOM 0 HA2 GLY A 40 12.740 14.344 6.459 1.00 1.03 H new ATOM 0 HA3 GLY A 40 12.957 13.771 4.817 1.00 1.03 H new ATOM 845 N PRO A 41 15.233 12.926 5.798 1.00 1.37 N ATOM 846 CA PRO A 41 14.382 11.766 5.524 1.00 1.22 C ATOM 847 C PRO A 41 13.662 11.253 6.771 1.00 1.09 C ATOM 848 O PRO A 41 14.164 11.376 7.891 1.00 1.18 O ATOM 849 CB PRO A 41 15.388 10.729 5.033 1.00 1.37 C ATOM 850 CG PRO A 41 16.648 11.047 5.755 1.00 1.60 C ATOM 851 CD PRO A 41 16.641 12.532 5.997 1.00 1.68 C ATOM 0 HA PRO A 41 13.584 11.997 4.818 1.00 1.22 H new ATOM 0 HB2 PRO A 41 15.051 9.716 5.254 1.00 1.37 H new ATOM 0 HB3 PRO A 41 15.525 10.791 3.953 1.00 1.37 H new ATOM 0 HG2 PRO A 41 16.703 10.501 6.697 1.00 1.60 H new ATOM 0 HG3 PRO A 41 17.517 10.754 5.165 1.00 1.60 H new ATOM 0 HD2 PRO A 41 16.983 12.773 7.003 1.00 1.68 H new ATOM 0 HD3 PRO A 41 17.302 13.052 5.303 1.00 1.68 H new ATOM 859 N TYR A 42 12.489 10.668 6.564 1.00 0.99 N ATOM 860 CA TYR A 42 11.690 10.131 7.661 1.00 0.92 C ATOM 861 C TYR A 42 12.118 8.710 7.967 1.00 0.97 C ATOM 862 O TYR A 42 12.296 7.888 7.065 1.00 1.08 O ATOM 863 CB TYR A 42 10.201 10.138 7.308 1.00 0.85 C ATOM 864 CG TYR A 42 9.739 11.394 6.613 1.00 0.87 C ATOM 865 CD1 TYR A 42 9.653 12.592 7.309 1.00 0.90 C ATOM 866 CD2 TYR A 42 9.391 11.388 5.267 1.00 0.99 C ATOM 867 CE1 TYR A 42 9.235 13.748 6.687 1.00 1.02 C ATOM 868 CE2 TYR A 42 8.972 12.543 4.638 1.00 1.10 C ATOM 869 CZ TYR A 42 8.883 13.691 5.312 1.00 1.12 C ATOM 870 OH TYR A 42 8.486 14.870 4.737 1.00 1.28 O ATOM 0 H TYR A 42 12.067 10.552 5.642 1.00 0.99 H new ATOM 0 HA TYR A 42 11.850 10.764 8.534 1.00 0.92 H new ATOM 0 HB2 TYR A 42 9.986 9.282 6.669 1.00 0.85 H new ATOM 0 HB3 TYR A 42 9.621 10.007 8.222 1.00 0.85 H new ATOM 0 HD1 TYR A 42 9.918 12.618 8.356 1.00 0.90 H new ATOM 0 HD2 TYR A 42 9.449 10.467 4.706 1.00 0.99 H new ATOM 0 HE1 TYR A 42 9.176 14.678 7.233 1.00 1.02 H new ATOM 0 HE2 TYR A 42 8.714 12.517 3.590 1.00 1.10 H new ATOM 0 HH TYR A 42 9.202 15.534 4.824 1.00 1.28 H new ATOM 880 N LYS A 43 12.282 8.434 9.244 1.00 0.96 N ATOM 881 CA LYS A 43 12.630 7.105 9.704 1.00 1.01 C ATOM 882 C LYS A 43 11.356 6.312 9.954 1.00 0.98 C ATOM 883 O LYS A 43 11.371 5.083 10.026 1.00 1.06 O ATOM 884 CB LYS A 43 13.454 7.189 10.993 1.00 1.10 C ATOM 885 CG LYS A 43 14.632 8.154 10.913 1.00 1.72 C ATOM 886 CD LYS A 43 15.549 7.835 9.741 1.00 2.26 C ATOM 887 CE LYS A 43 16.748 8.774 9.693 1.00 2.94 C ATOM 888 NZ LYS A 43 16.347 10.206 9.583 1.00 3.51 N ATOM 0 H LYS A 43 12.178 9.122 9.990 1.00 0.96 H new ATOM 0 HA LYS A 43 13.228 6.606 8.942 1.00 1.01 H new ATOM 0 HB2 LYS A 43 12.801 7.495 11.810 1.00 1.10 H new ATOM 0 HB3 LYS A 43 13.828 6.195 11.239 1.00 1.10 H new ATOM 0 HG2 LYS A 43 14.260 9.174 10.815 1.00 1.72 H new ATOM 0 HG3 LYS A 43 15.201 8.110 11.842 1.00 1.72 H new ATOM 0 HD2 LYS A 43 15.896 6.805 9.820 1.00 2.26 H new ATOM 0 HD3 LYS A 43 14.989 7.912 8.809 1.00 2.26 H new ATOM 0 HE2 LYS A 43 17.350 8.636 10.592 1.00 2.94 H new ATOM 0 HE3 LYS A 43 17.378 8.510 8.844 1.00 2.94 H new ATOM 0 HZ1 LYS A 43 17.156 10.769 9.252 1.00 3.51 H new ATOM 0 HZ2 LYS A 43 15.563 10.296 8.906 1.00 3.51 H new ATOM 0 HZ3 LYS A 43 16.042 10.554 10.514 1.00 3.51 H new ATOM 902 N ASN A 44 10.253 7.035 10.066 1.00 0.88 N ATOM 903 CA ASN A 44 8.959 6.442 10.366 1.00 0.85 C ATOM 904 C ASN A 44 7.853 7.214 9.653 1.00 0.80 C ATOM 905 O ASN A 44 8.073 8.344 9.217 1.00 0.85 O ATOM 906 CB ASN A 44 8.724 6.453 11.878 1.00 0.89 C ATOM 907 CG ASN A 44 8.833 7.850 12.453 1.00 0.95 C ATOM 908 OD1 ASN A 44 7.831 8.542 12.638 1.00 1.52 O ATOM 909 ND2 ASN A 44 10.059 8.284 12.710 1.00 1.10 N ATOM 0 H ASN A 44 10.229 8.048 9.952 1.00 0.88 H new ATOM 0 HA ASN A 44 8.947 5.411 10.014 1.00 0.85 H new ATOM 0 HB2 ASN A 44 7.736 6.046 12.095 1.00 0.89 H new ATOM 0 HB3 ASN A 44 9.451 5.802 12.364 1.00 0.89 H new ATOM 0 HD21 ASN A 44 10.200 9.225 13.076 1.00 1.10 H new ATOM 0 HD22 ASN A 44 10.861 7.676 12.542 1.00 1.10 H new ATOM 916 N THR A 45 6.677 6.618 9.544 1.00 0.77 N ATOM 917 CA THR A 45 5.571 7.241 8.827 1.00 0.76 C ATOM 918 C THR A 45 5.096 8.518 9.530 1.00 0.74 C ATOM 919 O THR A 45 4.841 9.541 8.886 1.00 0.92 O ATOM 920 CB THR A 45 4.387 6.263 8.700 1.00 0.84 C ATOM 921 OG1 THR A 45 4.861 4.985 8.250 1.00 1.05 O ATOM 922 CG2 THR A 45 3.347 6.794 7.724 1.00 1.18 C ATOM 0 H THR A 45 6.461 5.704 9.942 1.00 0.77 H new ATOM 0 HA THR A 45 5.937 7.503 7.834 1.00 0.76 H new ATOM 0 HB THR A 45 3.921 6.158 9.680 1.00 0.84 H new ATOM 0 HG1 THR A 45 4.106 4.365 8.172 1.00 1.05 H new ATOM 0 HG21 THR A 45 2.521 6.086 7.651 1.00 1.18 H new ATOM 0 HG22 THR A 45 2.972 7.754 8.079 1.00 1.18 H new ATOM 0 HG23 THR A 45 3.802 6.923 6.742 1.00 1.18 H new ATOM 930 N GLU A 46 5.018 8.448 10.854 1.00 0.72 N ATOM 931 CA GLU A 46 4.491 9.536 11.674 1.00 0.71 C ATOM 932 C GLU A 46 5.222 10.858 11.434 1.00 0.66 C ATOM 933 O GLU A 46 4.602 11.919 11.478 1.00 0.65 O ATOM 934 CB GLU A 46 4.583 9.157 13.151 1.00 0.79 C ATOM 935 CG GLU A 46 3.908 10.154 14.077 1.00 1.41 C ATOM 936 CD GLU A 46 4.072 9.790 15.535 1.00 1.82 C ATOM 937 OE1 GLU A 46 3.233 9.031 16.057 1.00 2.12 O ATOM 938 OE2 GLU A 46 5.036 10.265 16.166 1.00 2.24 O ATOM 0 H GLU A 46 5.318 7.635 11.391 1.00 0.72 H new ATOM 0 HA GLU A 46 3.450 9.685 11.386 1.00 0.71 H new ATOM 0 HB2 GLU A 46 4.130 8.176 13.295 1.00 0.79 H new ATOM 0 HB3 GLU A 46 5.633 9.068 13.430 1.00 0.79 H new ATOM 0 HG2 GLU A 46 4.325 11.146 13.904 1.00 1.41 H new ATOM 0 HG3 GLU A 46 2.846 10.208 13.836 1.00 1.41 H new ATOM 945 N GLU A 47 6.527 10.797 11.175 1.00 0.67 N ATOM 946 CA GLU A 47 7.323 12.010 10.976 1.00 0.67 C ATOM 947 C GLU A 47 6.770 12.879 9.852 1.00 0.60 C ATOM 948 O GLU A 47 6.748 14.106 9.966 1.00 0.58 O ATOM 949 CB GLU A 47 8.781 11.671 10.685 1.00 0.73 C ATOM 950 CG GLU A 47 9.585 11.351 11.928 1.00 0.98 C ATOM 951 CD GLU A 47 11.069 11.242 11.651 1.00 1.64 C ATOM 952 OE1 GLU A 47 11.479 10.269 10.984 1.00 2.26 O ATOM 953 OE2 GLU A 47 11.830 12.124 12.088 1.00 2.03 O ATOM 0 H GLU A 47 7.054 9.927 11.098 1.00 0.67 H new ATOM 0 HA GLU A 47 7.264 12.575 11.907 1.00 0.67 H new ATOM 0 HB2 GLU A 47 8.819 10.818 10.007 1.00 0.73 H new ATOM 0 HB3 GLU A 47 9.245 12.511 10.168 1.00 0.73 H new ATOM 0 HG2 GLU A 47 9.415 12.126 12.675 1.00 0.98 H new ATOM 0 HG3 GLU A 47 9.229 10.413 12.355 1.00 0.98 H new ATOM 960 N SER A 48 6.318 12.245 8.780 1.00 0.58 N ATOM 961 CA SER A 48 5.772 12.970 7.645 1.00 0.54 C ATOM 962 C SER A 48 4.443 13.615 8.030 1.00 0.51 C ATOM 963 O SER A 48 4.200 14.788 7.740 1.00 0.49 O ATOM 964 CB SER A 48 5.594 12.022 6.452 1.00 0.57 C ATOM 965 OG SER A 48 5.103 12.707 5.311 1.00 1.19 O ATOM 0 H SER A 48 6.319 11.231 8.673 1.00 0.58 H new ATOM 0 HA SER A 48 6.466 13.759 7.355 1.00 0.54 H new ATOM 0 HB2 SER A 48 6.549 11.553 6.213 1.00 0.57 H new ATOM 0 HB3 SER A 48 4.905 11.222 6.722 1.00 0.57 H new ATOM 0 HG SER A 48 5.002 12.075 4.568 1.00 1.19 H new ATOM 971 N ILE A 49 3.613 12.850 8.727 1.00 0.51 N ATOM 972 CA ILE A 49 2.298 13.313 9.150 1.00 0.49 C ATOM 973 C ILE A 49 2.434 14.474 10.135 1.00 0.49 C ATOM 974 O ILE A 49 1.741 15.487 10.031 1.00 0.47 O ATOM 975 CB ILE A 49 1.506 12.157 9.801 1.00 0.51 C ATOM 976 CG1 ILE A 49 1.313 11.022 8.786 1.00 0.52 C ATOM 977 CG2 ILE A 49 0.168 12.650 10.331 1.00 0.50 C ATOM 978 CD1 ILE A 49 0.675 9.776 9.365 1.00 0.55 C ATOM 0 H ILE A 49 3.831 11.896 9.014 1.00 0.51 H new ATOM 0 HA ILE A 49 1.755 13.660 8.271 1.00 0.49 H new ATOM 0 HB ILE A 49 2.074 11.773 10.648 1.00 0.51 H new ATOM 0 HG12 ILE A 49 0.696 11.385 7.964 1.00 0.52 H new ATOM 0 HG13 ILE A 49 2.283 10.758 8.364 1.00 0.52 H new ATOM 0 HG21 ILE A 49 -0.372 11.819 10.785 1.00 0.50 H new ATOM 0 HG22 ILE A 49 0.336 13.425 11.079 1.00 0.50 H new ATOM 0 HG23 ILE A 49 -0.420 13.060 9.510 1.00 0.50 H new ATOM 0 HD11 ILE A 49 0.574 9.022 8.584 1.00 0.55 H new ATOM 0 HD12 ILE A 49 1.301 9.386 10.167 1.00 0.55 H new ATOM 0 HD13 ILE A 49 -0.310 10.022 9.761 1.00 0.55 H new ATOM 985 N ALA A 50 3.353 14.312 11.070 1.00 0.52 N ATOM 986 CA ALA A 50 3.641 15.319 12.081 1.00 0.53 C ATOM 987 C ALA A 50 4.166 16.610 11.469 1.00 0.50 C ATOM 988 O ALA A 50 3.704 17.702 11.810 1.00 0.50 O ATOM 989 CB ALA A 50 4.659 14.770 13.054 1.00 0.57 C ATOM 0 H ALA A 50 3.926 13.472 11.151 1.00 0.52 H new ATOM 0 HA ALA A 50 2.709 15.554 12.595 1.00 0.53 H new ATOM 0 HB1 ALA A 50 4.878 15.521 13.813 1.00 0.57 H new ATOM 0 HB2 ALA A 50 4.260 13.876 13.532 1.00 0.57 H new ATOM 0 HB3 ALA A 50 5.574 14.517 12.519 1.00 0.57 H new ATOM 995 N ALA A 51 5.140 16.490 10.579 1.00 0.49 N ATOM 996 CA ALA A 51 5.749 17.658 9.964 1.00 0.48 C ATOM 997 C ALA A 51 4.738 18.406 9.104 1.00 0.45 C ATOM 998 O ALA A 51 4.753 19.637 9.034 1.00 0.47 O ATOM 999 CB ALA A 51 6.959 17.250 9.142 1.00 0.50 C ATOM 0 H ALA A 51 5.524 15.598 10.268 1.00 0.49 H new ATOM 0 HA ALA A 51 6.080 18.331 10.755 1.00 0.48 H new ATOM 0 HB1 ALA A 51 7.405 18.135 8.687 1.00 0.50 H new ATOM 0 HB2 ALA A 51 7.691 16.766 9.788 1.00 0.50 H new ATOM 0 HB3 ALA A 51 6.650 16.556 8.360 1.00 0.50 H new ATOM 1005 N LEU A 52 3.845 17.654 8.472 1.00 0.42 N ATOM 1006 CA LEU A 52 2.790 18.242 7.653 1.00 0.40 C ATOM 1007 C LEU A 52 1.766 18.971 8.510 1.00 0.39 C ATOM 1008 O LEU A 52 1.198 19.968 8.075 1.00 0.40 O ATOM 1009 CB LEU A 52 2.105 17.178 6.792 1.00 0.40 C ATOM 1010 CG LEU A 52 2.805 16.863 5.469 1.00 0.41 C ATOM 1011 CD1 LEU A 52 2.267 15.575 4.869 1.00 0.45 C ATOM 1012 CD2 LEU A 52 2.618 18.012 4.492 1.00 0.41 C ATOM 0 H LEU A 52 3.830 16.635 8.510 1.00 0.42 H new ATOM 0 HA LEU A 52 3.258 18.971 6.991 1.00 0.40 H new ATOM 0 HB2 LEU A 52 2.028 16.258 7.372 1.00 0.40 H new ATOM 0 HB3 LEU A 52 1.088 17.506 6.578 1.00 0.40 H new ATOM 0 HG LEU A 52 3.869 16.733 5.666 1.00 0.41 H new ATOM 0 HD11 LEU A 52 2.779 15.370 3.929 1.00 0.45 H new ATOM 0 HD12 LEU A 52 2.438 14.751 5.562 1.00 0.45 H new ATOM 0 HD13 LEU A 52 1.198 15.678 4.685 1.00 0.45 H new ATOM 0 HD21 LEU A 52 3.120 17.777 3.554 1.00 0.41 H new ATOM 0 HD22 LEU A 52 1.554 18.162 4.306 1.00 0.41 H new ATOM 0 HD23 LEU A 52 3.045 18.922 4.914 1.00 0.41 H new ATOM 1024 N LYS A 53 1.533 18.491 9.722 1.00 0.39 N ATOM 1025 CA LYS A 53 0.616 19.169 10.631 1.00 0.39 C ATOM 1026 C LYS A 53 1.173 20.520 11.070 1.00 0.40 C ATOM 1027 O LYS A 53 0.442 21.508 11.149 1.00 0.45 O ATOM 1028 CB LYS A 53 0.325 18.294 11.848 1.00 0.41 C ATOM 1029 CG LYS A 53 -0.598 17.132 11.535 1.00 0.42 C ATOM 1030 CD LYS A 53 -0.780 16.223 12.733 1.00 0.52 C ATOM 1031 CE LYS A 53 -1.892 15.220 12.490 1.00 0.52 C ATOM 1032 NZ LYS A 53 -3.233 15.863 12.512 1.00 1.22 N ATOM 0 H LYS A 53 1.960 17.644 10.098 1.00 0.39 H new ATOM 0 HA LYS A 53 -0.317 19.346 10.095 1.00 0.39 H new ATOM 0 HB2 LYS A 53 1.264 17.908 12.244 1.00 0.41 H new ATOM 0 HB3 LYS A 53 -0.123 18.907 12.630 1.00 0.41 H new ATOM 0 HG2 LYS A 53 -1.568 17.513 11.217 1.00 0.42 H new ATOM 0 HG3 LYS A 53 -0.192 16.559 10.702 1.00 0.42 H new ATOM 0 HD2 LYS A 53 0.152 15.696 12.939 1.00 0.52 H new ATOM 0 HD3 LYS A 53 -1.010 16.820 13.615 1.00 0.52 H new ATOM 0 HE2 LYS A 53 -1.738 14.734 11.527 1.00 0.52 H new ATOM 0 HE3 LYS A 53 -1.851 14.440 13.251 1.00 0.52 H new ATOM 0 HZ1 LYS A 53 -3.955 15.153 12.750 1.00 1.22 H new ATOM 0 HZ2 LYS A 53 -3.244 16.620 13.226 1.00 1.22 H new ATOM 0 HZ3 LYS A 53 -3.440 16.267 11.576 1.00 1.22 H new ATOM 1046 N LYS A 54 2.476 20.557 11.342 1.00 0.39 N ATOM 1047 CA LYS A 54 3.147 21.790 11.757 1.00 0.41 C ATOM 1048 C LYS A 54 3.154 22.815 10.622 1.00 0.41 C ATOM 1049 O LYS A 54 3.171 24.024 10.854 1.00 0.47 O ATOM 1050 CB LYS A 54 4.579 21.479 12.216 1.00 0.44 C ATOM 1051 CG LYS A 54 5.373 22.700 12.665 1.00 1.24 C ATOM 1052 CD LYS A 54 6.605 22.307 13.470 1.00 1.63 C ATOM 1053 CE LYS A 54 7.593 21.482 12.655 1.00 2.24 C ATOM 1054 NZ LYS A 54 8.262 22.281 11.595 1.00 3.05 N ATOM 0 H LYS A 54 3.091 19.745 11.283 1.00 0.39 H new ATOM 0 HA LYS A 54 2.596 22.221 12.593 1.00 0.41 H new ATOM 0 HB2 LYS A 54 4.537 20.765 13.038 1.00 0.44 H new ATOM 0 HB3 LYS A 54 5.113 20.994 11.399 1.00 0.44 H new ATOM 0 HG2 LYS A 54 5.678 23.277 11.792 1.00 1.24 H new ATOM 0 HG3 LYS A 54 4.736 23.347 13.268 1.00 1.24 H new ATOM 0 HD2 LYS A 54 7.101 23.207 13.833 1.00 1.63 H new ATOM 0 HD3 LYS A 54 6.296 21.737 14.346 1.00 1.63 H new ATOM 0 HE2 LYS A 54 8.348 21.063 13.321 1.00 2.24 H new ATOM 0 HE3 LYS A 54 7.070 20.642 12.197 1.00 2.24 H new ATOM 0 HZ1 LYS A 54 8.936 21.679 11.080 1.00 3.05 H new ATOM 0 HZ2 LYS A 54 7.548 22.646 10.933 1.00 3.05 H new ATOM 0 HZ3 LYS A 54 8.771 23.077 12.029 1.00 3.05 H new ATOM 1068 N LYS A 55 3.141 22.320 9.398 1.00 0.42 N ATOM 1069 CA LYS A 55 3.080 23.166 8.218 1.00 0.48 C ATOM 1070 C LYS A 55 1.646 23.534 7.851 1.00 0.47 C ATOM 1071 O LYS A 55 1.369 24.690 7.531 1.00 0.58 O ATOM 1072 CB LYS A 55 3.753 22.472 7.042 1.00 0.55 C ATOM 1073 CG LYS A 55 5.266 22.578 7.040 1.00 1.23 C ATOM 1074 CD LYS A 55 5.719 24.026 6.985 1.00 1.16 C ATOM 1075 CE LYS A 55 7.092 24.149 6.355 1.00 1.03 C ATOM 1076 NZ LYS A 55 7.600 25.544 6.398 1.00 1.48 N ATOM 0 H LYS A 55 3.172 21.321 9.193 1.00 0.42 H new ATOM 0 HA LYS A 55 3.609 24.090 8.451 1.00 0.48 H new ATOM 0 HB2 LYS A 55 3.474 21.418 7.048 1.00 0.55 H new ATOM 0 HB3 LYS A 55 3.369 22.898 6.115 1.00 0.55 H new ATOM 0 HG2 LYS A 55 5.667 22.103 7.936 1.00 1.23 H new ATOM 0 HG3 LYS A 55 5.669 22.036 6.185 1.00 1.23 H new ATOM 0 HD2 LYS A 55 5.000 24.613 6.413 1.00 1.16 H new ATOM 0 HD3 LYS A 55 5.740 24.441 7.993 1.00 1.16 H new ATOM 0 HE2 LYS A 55 7.790 23.493 6.875 1.00 1.03 H new ATOM 0 HE3 LYS A 55 7.048 23.811 5.320 1.00 1.03 H new ATOM 0 HZ1 LYS A 55 8.541 25.584 5.957 1.00 1.48 H new ATOM 0 HZ2 LYS A 55 6.948 26.167 5.880 1.00 1.48 H new ATOM 0 HZ3 LYS A 55 7.667 25.859 7.387 1.00 1.48 H new ATOM 1090 N SER A 56 0.742 22.579 7.885 1.00 0.39 N ATOM 1091 CA SER A 56 -0.647 22.859 7.557 1.00 0.39 C ATOM 1092 C SER A 56 -1.592 21.911 8.287 1.00 0.38 C ATOM 1093 O SER A 56 -1.704 20.742 7.920 1.00 0.38 O ATOM 1094 CB SER A 56 -0.868 22.774 6.046 1.00 0.40 C ATOM 1095 OG SER A 56 -0.104 23.754 5.360 1.00 1.16 O ATOM 0 H SER A 56 0.937 21.609 8.134 1.00 0.39 H new ATOM 0 HA SER A 56 -0.869 23.873 7.888 1.00 0.39 H new ATOM 0 HB2 SER A 56 -0.593 21.781 5.691 1.00 0.40 H new ATOM 0 HB3 SER A 56 -1.926 22.911 5.822 1.00 0.40 H new ATOM 0 HG SER A 56 0.386 24.300 6.009 1.00 1.16 H new ATOM 1101 N PRO A 57 -2.256 22.410 9.347 1.00 0.41 N ATOM 1102 CA PRO A 57 -3.097 21.602 10.241 1.00 0.43 C ATOM 1103 C PRO A 57 -3.957 20.578 9.506 1.00 0.44 C ATOM 1104 O PRO A 57 -3.799 19.363 9.675 1.00 0.45 O ATOM 1105 CB PRO A 57 -3.993 22.654 10.887 1.00 0.48 C ATOM 1106 CG PRO A 57 -3.147 23.875 10.955 1.00 0.58 C ATOM 1107 CD PRO A 57 -2.228 23.826 9.761 1.00 0.45 C ATOM 0 HA PRO A 57 -2.496 21.012 10.933 1.00 0.43 H new ATOM 0 HB2 PRO A 57 -4.892 22.827 10.295 1.00 0.48 H new ATOM 0 HB3 PRO A 57 -4.319 22.342 11.879 1.00 0.48 H new ATOM 0 HG2 PRO A 57 -3.762 24.775 10.935 1.00 0.58 H new ATOM 0 HG3 PRO A 57 -2.576 23.900 11.883 1.00 0.58 H new ATOM 0 HD2 PRO A 57 -2.575 24.482 8.963 1.00 0.45 H new ATOM 0 HD3 PRO A 57 -1.219 24.146 10.021 1.00 0.45 H new ATOM 1115 N GLU A 58 -4.851 21.099 8.665 1.00 0.47 N ATOM 1116 CA GLU A 58 -5.803 20.290 7.921 1.00 0.51 C ATOM 1117 C GLU A 58 -5.099 19.385 6.919 1.00 0.47 C ATOM 1118 O GLU A 58 -5.585 18.302 6.591 1.00 0.47 O ATOM 1119 CB GLU A 58 -6.788 21.193 7.177 1.00 0.65 C ATOM 1120 CG GLU A 58 -7.859 20.427 6.421 1.00 1.44 C ATOM 1121 CD GLU A 58 -8.628 21.299 5.455 1.00 1.92 C ATOM 1122 OE1 GLU A 58 -8.140 21.514 4.325 1.00 2.45 O ATOM 1123 OE2 GLU A 58 -9.727 21.765 5.809 1.00 2.42 O ATOM 0 H GLU A 58 -4.931 22.099 8.483 1.00 0.47 H new ATOM 0 HA GLU A 58 -6.338 19.665 8.636 1.00 0.51 H new ATOM 0 HB2 GLU A 58 -7.267 21.862 7.892 1.00 0.65 H new ATOM 0 HB3 GLU A 58 -6.236 21.819 6.475 1.00 0.65 H new ATOM 0 HG2 GLU A 58 -7.395 19.607 5.873 1.00 1.44 H new ATOM 0 HG3 GLU A 58 -8.553 19.982 7.134 1.00 1.44 H new ATOM 1130 N LEU A 59 -3.948 19.828 6.430 1.00 0.46 N ATOM 1131 CA LEU A 59 -3.240 19.078 5.411 1.00 0.48 C ATOM 1132 C LEU A 59 -2.622 17.850 6.061 1.00 0.43 C ATOM 1133 O LEU A 59 -2.666 16.741 5.527 1.00 0.47 O ATOM 1134 CB LEU A 59 -2.159 19.948 4.765 1.00 0.56 C ATOM 1135 CG LEU A 59 -1.902 19.695 3.276 1.00 0.67 C ATOM 1136 CD1 LEU A 59 -0.857 20.662 2.757 1.00 1.15 C ATOM 1137 CD2 LEU A 59 -1.459 18.263 3.024 1.00 1.42 C ATOM 0 H LEU A 59 -3.492 20.693 6.721 1.00 0.46 H new ATOM 0 HA LEU A 59 -3.931 18.770 4.627 1.00 0.48 H new ATOM 0 HB2 LEU A 59 -2.436 20.994 4.894 1.00 0.56 H new ATOM 0 HB3 LEU A 59 -1.225 19.796 5.307 1.00 0.56 H new ATOM 0 HG LEU A 59 -2.839 19.855 2.742 1.00 0.67 H new ATOM 0 HD11 LEU A 59 -0.681 20.474 1.698 1.00 1.15 H new ATOM 0 HD12 LEU A 59 -1.210 21.685 2.890 1.00 1.15 H new ATOM 0 HD13 LEU A 59 0.073 20.524 3.309 1.00 1.15 H new ATOM 0 HD21 LEU A 59 -1.285 18.118 1.958 1.00 1.42 H new ATOM 0 HD22 LEU A 59 -0.538 18.065 3.572 1.00 1.42 H new ATOM 0 HD23 LEU A 59 -2.236 17.577 3.362 1.00 1.42 H new ATOM 1149 N GLY A 60 -2.064 18.079 7.245 1.00 0.37 N ATOM 1150 CA GLY A 60 -1.515 17.010 8.044 1.00 0.36 C ATOM 1151 C GLY A 60 -2.591 16.055 8.504 1.00 0.35 C ATOM 1152 O GLY A 60 -2.322 14.891 8.780 1.00 0.36 O ATOM 0 H GLY A 60 -1.984 19.004 7.667 1.00 0.37 H new ATOM 0 HA2 GLY A 60 -0.769 16.467 7.464 1.00 0.36 H new ATOM 0 HA3 GLY A 60 -1.003 17.428 8.911 1.00 0.36 H new ATOM 1156 N ALA A 61 -3.818 16.551 8.598 1.00 0.37 N ATOM 1157 CA ALA A 61 -4.960 15.704 8.905 1.00 0.42 C ATOM 1158 C ALA A 61 -5.332 14.849 7.693 1.00 0.44 C ATOM 1159 O ALA A 61 -5.800 13.720 7.835 1.00 0.48 O ATOM 1160 CB ALA A 61 -6.145 16.551 9.343 1.00 0.45 C ATOM 0 H ALA A 61 -4.047 17.536 8.466 1.00 0.37 H new ATOM 0 HA ALA A 61 -4.688 15.039 9.725 1.00 0.42 H new ATOM 0 HB1 ALA A 61 -6.992 15.903 9.569 1.00 0.45 H new ATOM 0 HB2 ALA A 61 -5.876 17.120 10.233 1.00 0.45 H new ATOM 0 HB3 ALA A 61 -6.418 17.238 8.541 1.00 0.45 H new ATOM 1166 N LYS A 62 -5.111 15.392 6.499 1.00 0.45 N ATOM 1167 CA LYS A 62 -5.385 14.667 5.263 1.00 0.50 C ATOM 1168 C LYS A 62 -4.431 13.489 5.092 1.00 0.54 C ATOM 1169 O LYS A 62 -4.828 12.428 4.612 1.00 0.69 O ATOM 1170 CB LYS A 62 -5.304 15.598 4.049 1.00 0.53 C ATOM 1171 CG LYS A 62 -6.654 16.135 3.601 1.00 0.90 C ATOM 1172 CD LYS A 62 -6.541 16.953 2.321 1.00 1.25 C ATOM 1173 CE LYS A 62 -5.967 18.337 2.580 1.00 1.51 C ATOM 1174 NZ LYS A 62 -6.907 19.183 3.362 1.00 2.17 N ATOM 0 H LYS A 62 -4.742 16.333 6.362 1.00 0.45 H new ATOM 0 HA LYS A 62 -6.401 14.277 5.330 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -4.650 16.437 4.288 1.00 0.53 H new ATOM 0 HB3 LYS A 62 -4.843 15.061 3.220 1.00 0.53 H new ATOM 0 HG2 LYS A 62 -7.341 15.304 3.442 1.00 0.90 H new ATOM 0 HG3 LYS A 62 -7.080 16.753 4.391 1.00 0.90 H new ATOM 0 HD2 LYS A 62 -5.908 16.425 1.608 1.00 1.25 H new ATOM 0 HD3 LYS A 62 -7.526 17.048 1.863 1.00 1.25 H new ATOM 0 HE2 LYS A 62 -5.024 18.245 3.120 1.00 1.51 H new ATOM 0 HE3 LYS A 62 -5.744 18.823 1.630 1.00 1.51 H new ATOM 0 HZ1 LYS A 62 -6.408 19.594 4.177 1.00 2.17 H new ATOM 0 HZ2 LYS A 62 -7.272 19.947 2.758 1.00 2.17 H new ATOM 0 HZ3 LYS A 62 -7.700 18.600 3.700 1.00 2.17 H new ATOM 1188 N VAL A 63 -3.177 13.674 5.475 1.00 0.45 N ATOM 1189 CA VAL A 63 -2.219 12.577 5.440 1.00 0.48 C ATOM 1190 C VAL A 63 -2.402 11.682 6.665 1.00 0.46 C ATOM 1191 O VAL A 63 -2.160 10.476 6.615 1.00 0.53 O ATOM 1192 CB VAL A 63 -0.766 13.088 5.356 1.00 0.48 C ATOM 1193 CG1 VAL A 63 -0.400 13.889 6.586 1.00 1.12 C ATOM 1194 CG2 VAL A 63 0.203 11.934 5.155 1.00 1.12 C ATOM 0 H VAL A 63 -2.801 14.561 5.810 1.00 0.45 H new ATOM 0 HA VAL A 63 -2.411 11.995 4.539 1.00 0.48 H new ATOM 0 HB VAL A 63 -0.692 13.748 4.491 1.00 0.48 H new ATOM 0 HG11 VAL A 63 0.629 14.237 6.501 1.00 1.12 H new ATOM 0 HG12 VAL A 63 -1.067 14.747 6.673 1.00 1.12 H new ATOM 0 HG13 VAL A 63 -0.498 13.261 7.472 1.00 1.12 H new ATOM 0 HG21 VAL A 63 1.221 12.319 5.099 1.00 1.12 H new ATOM 0 HG22 VAL A 63 0.123 11.241 5.993 1.00 1.12 H new ATOM 0 HG23 VAL A 63 -0.039 11.413 4.229 1.00 1.12 H new ATOM 1198 N GLU A 64 -2.857 12.283 7.759 1.00 0.41 N ATOM 1199 CA GLU A 64 -3.140 11.548 8.985 1.00 0.42 C ATOM 1200 C GLU A 64 -4.221 10.504 8.751 1.00 0.50 C ATOM 1201 O GLU A 64 -4.052 9.342 9.121 1.00 0.55 O ATOM 1202 CB GLU A 64 -3.570 12.501 10.099 1.00 0.42 C ATOM 1203 CG GLU A 64 -3.935 11.806 11.401 1.00 0.53 C ATOM 1204 CD GLU A 64 -4.229 12.789 12.513 1.00 1.11 C ATOM 1205 OE1 GLU A 64 -4.978 13.758 12.272 1.00 1.66 O ATOM 1206 OE2 GLU A 64 -3.740 12.577 13.644 1.00 1.70 O ATOM 0 H GLU A 64 -3.039 13.285 7.821 1.00 0.41 H new ATOM 0 HA GLU A 64 -2.225 11.041 9.290 1.00 0.42 H new ATOM 0 HB2 GLU A 64 -2.762 13.208 10.290 1.00 0.42 H new ATOM 0 HB3 GLU A 64 -4.427 13.081 9.756 1.00 0.42 H new ATOM 0 HG2 GLU A 64 -4.807 11.172 11.240 1.00 0.53 H new ATOM 0 HG3 GLU A 64 -3.117 11.153 11.703 1.00 0.53 H new ATOM 1213 N LYS A 65 -5.328 10.907 8.125 1.00 0.58 N ATOM 1214 CA LYS A 65 -6.414 9.972 7.864 1.00 0.69 C ATOM 1215 C LYS A 65 -5.917 8.861 6.950 1.00 0.71 C ATOM 1216 O LYS A 65 -6.350 7.717 7.041 1.00 0.76 O ATOM 1217 CB LYS A 65 -7.634 10.676 7.243 1.00 0.84 C ATOM 1218 CG LYS A 65 -7.336 11.400 5.934 1.00 1.92 C ATOM 1219 CD LYS A 65 -8.578 12.058 5.342 1.00 2.40 C ATOM 1220 CE LYS A 65 -9.467 11.060 4.610 1.00 3.23 C ATOM 1221 NZ LYS A 65 -8.886 10.630 3.306 1.00 3.96 N ATOM 0 H LYS A 65 -5.492 11.858 7.796 1.00 0.58 H new ATOM 0 HA LYS A 65 -6.736 9.546 8.814 1.00 0.69 H new ATOM 0 HB2 LYS A 65 -8.416 9.937 7.067 1.00 0.84 H new ATOM 0 HB3 LYS A 65 -8.030 11.394 7.961 1.00 0.84 H new ATOM 0 HG2 LYS A 65 -6.573 12.159 6.106 1.00 1.92 H new ATOM 0 HG3 LYS A 65 -6.925 10.692 5.215 1.00 1.92 H new ATOM 0 HD2 LYS A 65 -9.149 12.534 6.139 1.00 2.40 H new ATOM 0 HD3 LYS A 65 -8.275 12.846 4.652 1.00 2.40 H new ATOM 0 HE2 LYS A 65 -9.623 10.185 5.241 1.00 3.23 H new ATOM 0 HE3 LYS A 65 -10.446 11.507 4.438 1.00 3.23 H new ATOM 0 HZ1 LYS A 65 -9.220 9.672 3.076 1.00 3.96 H new ATOM 0 HZ2 LYS A 65 -9.184 11.289 2.559 1.00 3.96 H new ATOM 0 HZ3 LYS A 65 -7.848 10.628 3.372 1.00 3.96 H new ATOM 1235 N LEU A 66 -4.960 9.217 6.100 1.00 0.72 N ATOM 1236 CA LEU A 66 -4.392 8.299 5.126 1.00 0.80 C ATOM 1237 C LEU A 66 -3.477 7.273 5.780 1.00 0.76 C ATOM 1238 O LEU A 66 -2.946 6.390 5.111 1.00 1.07 O ATOM 1239 CB LEU A 66 -3.627 9.079 4.058 1.00 0.84 C ATOM 1240 CG LEU A 66 -4.176 8.927 2.644 1.00 0.77 C ATOM 1241 CD1 LEU A 66 -4.055 7.482 2.188 1.00 1.50 C ATOM 1242 CD2 LEU A 66 -5.625 9.392 2.587 1.00 1.37 C ATOM 0 H LEU A 66 -4.557 10.153 6.069 1.00 0.72 H new ATOM 0 HA LEU A 66 -5.216 7.757 4.662 1.00 0.80 H new ATOM 0 HB2 LEU A 66 -3.634 10.136 4.324 1.00 0.84 H new ATOM 0 HB3 LEU A 66 -2.586 8.755 4.066 1.00 0.84 H new ATOM 0 HG LEU A 66 -3.591 9.551 1.969 1.00 0.77 H new ATOM 0 HD11 LEU A 66 -4.450 7.385 1.177 1.00 1.50 H new ATOM 0 HD12 LEU A 66 -3.007 7.184 2.198 1.00 1.50 H new ATOM 0 HD13 LEU A 66 -4.621 6.839 2.862 1.00 1.50 H new ATOM 0 HD21 LEU A 66 -6.004 9.278 1.571 1.00 1.37 H new ATOM 0 HD22 LEU A 66 -6.227 8.791 3.269 1.00 1.37 H new ATOM 0 HD23 LEU A 66 -5.683 10.440 2.880 1.00 1.37 H new ATOM 1254 N HIS A 67 -3.266 7.398 7.076 1.00 0.52 N ATOM 1255 CA HIS A 67 -2.555 6.364 7.800 1.00 0.55 C ATOM 1256 C HIS A 67 -3.415 5.819 8.933 1.00 0.44 C ATOM 1257 O HIS A 67 -3.291 4.657 9.297 1.00 0.45 O ATOM 1258 CB HIS A 67 -1.213 6.874 8.327 1.00 0.67 C ATOM 1259 CG HIS A 67 -0.270 5.762 8.687 1.00 0.94 C ATOM 1260 ND1 HIS A 67 0.130 5.483 9.974 1.00 1.62 N ATOM 1261 CD2 HIS A 67 0.340 4.846 7.900 1.00 1.85 C ATOM 1262 CE1 HIS A 67 0.944 4.442 9.963 1.00 2.13 C ATOM 1263 NE2 HIS A 67 1.089 4.031 8.718 1.00 2.34 N ATOM 0 H HIS A 67 -3.571 8.191 7.641 1.00 0.52 H new ATOM 0 HA HIS A 67 -2.345 5.551 7.105 1.00 0.55 H new ATOM 0 HB2 HIS A 67 -0.748 7.508 7.572 1.00 0.67 H new ATOM 0 HB3 HIS A 67 -1.385 7.497 9.205 1.00 0.67 H new ATOM 0 HD2 HIS A 67 0.255 4.768 6.826 1.00 1.85 H new ATOM 0 HE1 HIS A 67 1.413 4.001 10.830 1.00 2.13 H new ATOM 0 HE2 HIS A 67 1.660 3.243 8.413 1.00 2.34 H new ATOM 1272 N ALA A 68 -4.290 6.656 9.479 1.00 0.39 N ATOM 1273 CA ALA A 68 -5.198 6.237 10.545 1.00 0.36 C ATOM 1274 C ALA A 68 -6.259 5.261 10.032 1.00 0.34 C ATOM 1275 O ALA A 68 -6.500 4.221 10.648 1.00 0.37 O ATOM 1276 CB ALA A 68 -5.858 7.450 11.184 1.00 0.40 C ATOM 0 H ALA A 68 -4.391 7.632 9.201 1.00 0.39 H new ATOM 0 HA ALA A 68 -4.607 5.716 11.298 1.00 0.36 H new ATOM 0 HB1 ALA A 68 -6.531 7.123 11.976 1.00 0.40 H new ATOM 0 HB2 ALA A 68 -5.092 8.101 11.605 1.00 0.40 H new ATOM 0 HB3 ALA A 68 -6.424 7.996 10.429 1.00 0.40 H new ATOM 1282 N MET A 69 -6.888 5.595 8.903 1.00 0.33 N ATOM 1283 CA MET A 69 -7.881 4.708 8.287 1.00 0.37 C ATOM 1284 C MET A 69 -7.215 3.408 7.881 1.00 0.37 C ATOM 1285 O MET A 69 -7.784 2.322 8.004 1.00 0.42 O ATOM 1286 CB MET A 69 -8.496 5.342 7.037 1.00 0.46 C ATOM 1287 CG MET A 69 -9.205 6.662 7.273 1.00 0.44 C ATOM 1288 SD MET A 69 -9.893 7.344 5.750 1.00 0.72 S ATOM 1289 CE MET A 69 -8.493 7.186 4.641 1.00 0.55 C ATOM 0 H MET A 69 -6.730 6.467 8.398 1.00 0.33 H new ATOM 0 HA MET A 69 -8.668 4.530 9.020 1.00 0.37 H new ATOM 0 HB2 MET A 69 -7.708 5.496 6.300 1.00 0.46 H new ATOM 0 HB3 MET A 69 -9.205 4.638 6.602 1.00 0.46 H new ATOM 0 HG2 MET A 69 -10.005 6.519 7.999 1.00 0.44 H new ATOM 0 HG3 MET A 69 -8.505 7.377 7.706 1.00 0.44 H new ATOM 0 HE1 MET A 69 -8.727 7.663 3.689 1.00 0.55 H new ATOM 0 HE2 MET A 69 -7.622 7.669 5.084 1.00 0.55 H new ATOM 0 HE3 MET A 69 -8.278 6.130 4.475 1.00 0.55 H new ATOM 1299 N VAL A 70 -6.004 3.543 7.377 1.00 0.36 N ATOM 1300 CA VAL A 70 -5.214 2.417 6.943 1.00 0.39 C ATOM 1301 C VAL A 70 -4.768 1.585 8.136 1.00 0.38 C ATOM 1302 O VAL A 70 -4.703 0.358 8.063 1.00 0.38 O ATOM 1303 CB VAL A 70 -3.996 2.920 6.156 1.00 0.42 C ATOM 1304 CG1 VAL A 70 -3.121 1.770 5.719 1.00 0.79 C ATOM 1305 CG2 VAL A 70 -4.454 3.733 4.960 1.00 0.70 C ATOM 0 H VAL A 70 -5.541 4.444 7.258 1.00 0.36 H new ATOM 0 HA VAL A 70 -5.822 1.784 6.297 1.00 0.39 H new ATOM 0 HB VAL A 70 -3.401 3.559 6.808 1.00 0.42 H new ATOM 0 HG11 VAL A 70 -2.266 2.154 5.164 1.00 0.79 H new ATOM 0 HG12 VAL A 70 -2.770 1.226 6.596 1.00 0.79 H new ATOM 0 HG13 VAL A 70 -3.695 1.098 5.081 1.00 0.79 H new ATOM 0 HG21 VAL A 70 -3.584 4.087 4.406 1.00 0.70 H new ATOM 0 HG22 VAL A 70 -5.069 3.110 4.311 1.00 0.70 H new ATOM 0 HG23 VAL A 70 -5.038 4.587 5.303 1.00 0.70 H new ATOM 1309 N LYS A 71 -4.485 2.260 9.240 1.00 0.40 N ATOM 1310 CA LYS A 71 -4.093 1.591 10.475 1.00 0.43 C ATOM 1311 C LYS A 71 -5.204 0.672 10.961 1.00 0.44 C ATOM 1312 O LYS A 71 -4.934 -0.426 11.415 1.00 0.45 O ATOM 1313 CB LYS A 71 -3.731 2.613 11.560 1.00 0.48 C ATOM 1314 CG LYS A 71 -3.476 2.003 12.938 1.00 1.22 C ATOM 1315 CD LYS A 71 -2.431 0.892 12.894 1.00 1.30 C ATOM 1316 CE LYS A 71 -1.061 1.403 12.483 1.00 0.75 C ATOM 1317 NZ LYS A 71 -0.485 2.332 13.491 1.00 1.47 N ATOM 0 H LYS A 71 -4.519 3.277 9.307 1.00 0.40 H new ATOM 0 HA LYS A 71 -3.209 0.988 10.267 1.00 0.43 H new ATOM 0 HB2 LYS A 71 -2.841 3.158 11.247 1.00 0.48 H new ATOM 0 HB3 LYS A 71 -4.538 3.341 11.641 1.00 0.48 H new ATOM 0 HG2 LYS A 71 -3.145 2.784 13.623 1.00 1.22 H new ATOM 0 HG3 LYS A 71 -4.410 1.605 13.335 1.00 1.22 H new ATOM 0 HD2 LYS A 71 -2.362 0.423 13.875 1.00 1.30 H new ATOM 0 HD3 LYS A 71 -2.753 0.121 12.194 1.00 1.30 H new ATOM 0 HE2 LYS A 71 -0.387 0.558 12.342 1.00 0.75 H new ATOM 0 HE3 LYS A 71 -1.138 1.913 11.523 1.00 0.75 H new ATOM 0 HZ1 LYS A 71 0.506 2.536 13.249 1.00 1.47 H new ATOM 0 HZ2 LYS A 71 -1.030 3.218 13.498 1.00 1.47 H new ATOM 0 HZ3 LYS A 71 -0.527 1.892 14.433 1.00 1.47 H new ATOM 1331 N SER A 72 -6.449 1.115 10.840 1.00 0.45 N ATOM 1332 CA SER A 72 -7.590 0.301 11.245 1.00 0.49 C ATOM 1333 C SER A 72 -7.559 -1.051 10.532 1.00 0.45 C ATOM 1334 O SER A 72 -7.901 -2.086 11.104 1.00 0.49 O ATOM 1335 CB SER A 72 -8.884 1.039 10.918 1.00 0.56 C ATOM 1336 OG SER A 72 -8.878 2.337 11.490 1.00 1.26 O ATOM 0 H SER A 72 -6.695 2.031 10.466 1.00 0.45 H new ATOM 0 HA SER A 72 -7.538 0.124 12.319 1.00 0.49 H new ATOM 0 HB2 SER A 72 -9.003 1.113 9.837 1.00 0.56 H new ATOM 0 HB3 SER A 72 -9.736 0.474 11.295 1.00 0.56 H new ATOM 0 HG SER A 72 -9.715 2.796 11.268 1.00 1.26 H new ATOM 1342 N LYS A 73 -7.121 -1.015 9.284 1.00 0.39 N ATOM 1343 CA LYS A 73 -6.977 -2.207 8.469 1.00 0.38 C ATOM 1344 C LYS A 73 -5.709 -2.964 8.864 1.00 0.33 C ATOM 1345 O LYS A 73 -5.775 -4.132 9.214 1.00 0.38 O ATOM 1346 CB LYS A 73 -6.930 -1.827 6.985 1.00 0.44 C ATOM 1347 CG LYS A 73 -7.983 -0.808 6.569 1.00 0.62 C ATOM 1348 CD LYS A 73 -7.783 -0.358 5.128 1.00 0.78 C ATOM 1349 CE LYS A 73 -8.862 0.621 4.681 1.00 0.88 C ATOM 1350 NZ LYS A 73 -8.699 1.971 5.287 1.00 1.54 N ATOM 0 H LYS A 73 -6.855 -0.154 8.807 1.00 0.39 H new ATOM 0 HA LYS A 73 -7.837 -2.856 8.637 1.00 0.38 H new ATOM 0 HB2 LYS A 73 -5.942 -1.427 6.755 1.00 0.44 H new ATOM 0 HB3 LYS A 73 -7.056 -2.729 6.386 1.00 0.44 H new ATOM 0 HG2 LYS A 73 -8.976 -1.243 6.681 1.00 0.62 H new ATOM 0 HG3 LYS A 73 -7.937 0.056 7.231 1.00 0.62 H new ATOM 0 HD2 LYS A 73 -6.804 0.110 5.027 1.00 0.78 H new ATOM 0 HD3 LYS A 73 -7.789 -1.229 4.472 1.00 0.78 H new ATOM 0 HE2 LYS A 73 -8.839 0.710 3.595 1.00 0.88 H new ATOM 0 HE3 LYS A 73 -9.841 0.223 4.948 1.00 0.88 H new ATOM 0 HZ1 LYS A 73 -9.602 2.485 5.238 1.00 1.54 H new ATOM 0 HZ2 LYS A 73 -8.410 1.873 6.281 1.00 1.54 H new ATOM 0 HZ3 LYS A 73 -7.971 2.500 4.766 1.00 1.54 H new ATOM 1364 N ILE A 74 -4.569 -2.294 8.856 1.00 0.28 N ATOM 1365 CA ILE A 74 -3.294 -2.950 9.164 1.00 0.28 C ATOM 1366 C ILE A 74 -3.285 -3.512 10.593 1.00 0.28 C ATOM 1367 O ILE A 74 -2.565 -4.461 10.904 1.00 0.30 O ATOM 1368 CB ILE A 74 -2.116 -1.976 8.955 1.00 0.30 C ATOM 1369 CG1 ILE A 74 -2.080 -1.546 7.492 1.00 0.30 C ATOM 1370 CG2 ILE A 74 -0.793 -2.616 9.355 1.00 0.34 C ATOM 1371 CD1 ILE A 74 -0.953 -0.598 7.156 1.00 0.32 C ATOM 0 H ILE A 74 -4.492 -1.300 8.641 1.00 0.28 H new ATOM 0 HA ILE A 74 -3.177 -3.788 8.476 1.00 0.28 H new ATOM 0 HB ILE A 74 -2.262 -1.103 9.591 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -1.993 -2.434 6.865 1.00 0.30 H new ATOM 0 HG13 ILE A 74 -3.028 -1.070 7.241 1.00 0.30 H new ATOM 0 HG21 ILE A 74 0.018 -1.905 9.196 1.00 0.34 H new ATOM 0 HG22 ILE A 74 -0.828 -2.897 10.408 1.00 0.34 H new ATOM 0 HG23 ILE A 74 -0.620 -3.505 8.748 1.00 0.34 H new ATOM 0 HD11 ILE A 74 -0.997 -0.341 6.098 1.00 0.32 H new ATOM 0 HD12 ILE A 74 -1.049 0.308 7.754 1.00 0.32 H new ATOM 0 HD13 ILE A 74 0.002 -1.077 7.373 1.00 0.32 H new ATOM 1378 N ALA A 75 -4.129 -2.946 11.435 1.00 0.31 N ATOM 1379 CA ALA A 75 -4.271 -3.404 12.816 1.00 0.32 C ATOM 1380 C ALA A 75 -5.020 -4.725 12.847 1.00 0.32 C ATOM 1381 O ALA A 75 -4.716 -5.618 13.640 1.00 0.35 O ATOM 1382 CB ALA A 75 -5.027 -2.378 13.645 1.00 0.34 C ATOM 0 H ALA A 75 -4.734 -2.162 11.190 1.00 0.31 H new ATOM 0 HA ALA A 75 -3.275 -3.536 13.239 1.00 0.32 H new ATOM 0 HB1 ALA A 75 -5.122 -2.737 14.670 1.00 0.34 H new ATOM 0 HB2 ALA A 75 -4.482 -1.434 13.641 1.00 0.34 H new ATOM 0 HB3 ALA A 75 -6.019 -2.226 13.220 1.00 0.34 H new ATOM 1388 N ALA A 76 -5.992 -4.835 11.951 1.00 0.31 N ATOM 1389 CA ALA A 76 -6.825 -6.019 11.817 1.00 0.32 C ATOM 1390 C ALA A 76 -6.103 -7.073 10.990 1.00 0.34 C ATOM 1391 O ALA A 76 -6.592 -8.189 10.800 1.00 0.49 O ATOM 1392 CB ALA A 76 -8.132 -5.632 11.144 1.00 0.35 C ATOM 0 H ALA A 76 -6.226 -4.094 11.290 1.00 0.31 H new ATOM 0 HA ALA A 76 -7.032 -6.434 12.803 1.00 0.32 H new ATOM 0 HB1 ALA A 76 -8.763 -6.515 11.040 1.00 0.35 H new ATOM 0 HB2 ALA A 76 -8.647 -4.887 11.751 1.00 0.35 H new ATOM 0 HB3 ALA A 76 -7.924 -5.216 10.158 1.00 0.35 H new ATOM 1398 N LEU A 77 -4.929 -6.702 10.516 1.00 0.34 N ATOM 1399 CA LEU A 77 -4.136 -7.547 9.651 1.00 0.31 C ATOM 1400 C LEU A 77 -3.193 -8.392 10.490 1.00 0.32 C ATOM 1401 O LEU A 77 -2.588 -7.896 11.445 1.00 0.33 O ATOM 1402 CB LEU A 77 -3.356 -6.661 8.677 1.00 0.30 C ATOM 1403 CG LEU A 77 -2.851 -7.334 7.402 1.00 0.38 C ATOM 1404 CD1 LEU A 77 -3.916 -8.253 6.829 1.00 0.71 C ATOM 1405 CD2 LEU A 77 -2.476 -6.270 6.387 1.00 0.58 C ATOM 0 H LEU A 77 -4.498 -5.801 10.723 1.00 0.34 H new ATOM 0 HA LEU A 77 -4.780 -8.218 9.083 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -3.993 -5.824 8.392 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -2.499 -6.244 9.206 1.00 0.30 H new ATOM 0 HG LEU A 77 -1.973 -7.935 7.639 1.00 0.38 H new ATOM 0 HD11 LEU A 77 -3.540 -8.724 5.921 1.00 0.71 H new ATOM 0 HD12 LEU A 77 -4.165 -9.022 7.560 1.00 0.71 H new ATOM 0 HD13 LEU A 77 -4.809 -7.673 6.594 1.00 0.71 H new ATOM 0 HD21 LEU A 77 -2.115 -6.747 5.476 1.00 0.58 H new ATOM 0 HD22 LEU A 77 -3.351 -5.663 6.156 1.00 0.58 H new ATOM 0 HD23 LEU A 77 -1.692 -5.635 6.799 1.00 0.58 H new ATOM 1417 N GLY A 78 -3.104 -9.671 10.160 1.00 0.36 N ATOM 1418 CA GLY A 78 -2.241 -10.567 10.896 1.00 0.42 C ATOM 1419 C GLY A 78 -0.780 -10.221 10.709 1.00 0.46 C ATOM 1420 O GLY A 78 -0.430 -9.541 9.744 1.00 0.76 O ATOM 0 H GLY A 78 -3.617 -10.105 9.392 1.00 0.36 H new ATOM 0 HA2 GLY A 78 -2.492 -10.524 11.956 1.00 0.42 H new ATOM 0 HA3 GLY A 78 -2.417 -11.592 10.568 1.00 0.42 H new ATOM 1424 N PRO A 79 0.097 -10.672 11.622 1.00 0.66 N ATOM 1425 CA PRO A 79 1.535 -10.370 11.578 1.00 0.86 C ATOM 1426 C PRO A 79 2.155 -10.590 10.199 1.00 0.60 C ATOM 1427 O PRO A 79 3.002 -9.808 9.761 1.00 0.64 O ATOM 1428 CB PRO A 79 2.123 -11.354 12.587 1.00 1.32 C ATOM 1429 CG PRO A 79 1.029 -11.583 13.569 1.00 1.56 C ATOM 1430 CD PRO A 79 -0.251 -11.518 12.782 1.00 1.10 C ATOM 0 HA PRO A 79 1.733 -9.322 11.802 1.00 0.86 H new ATOM 0 HB2 PRO A 79 2.424 -12.284 12.105 1.00 1.32 H new ATOM 0 HB3 PRO A 79 3.010 -10.944 13.070 1.00 1.32 H new ATOM 0 HG2 PRO A 79 1.139 -12.551 14.057 1.00 1.56 H new ATOM 0 HG3 PRO A 79 1.044 -10.827 14.354 1.00 1.56 H new ATOM 0 HD2 PRO A 79 -0.581 -12.509 12.471 1.00 1.10 H new ATOM 0 HD3 PRO A 79 -1.060 -11.082 13.368 1.00 1.10 H new ATOM 1438 N GLU A 80 1.713 -11.641 9.514 1.00 0.51 N ATOM 1439 CA GLU A 80 2.255 -11.988 8.213 1.00 0.49 C ATOM 1440 C GLU A 80 1.981 -10.897 7.195 1.00 0.42 C ATOM 1441 O GLU A 80 2.882 -10.471 6.473 1.00 0.49 O ATOM 1442 CB GLU A 80 1.664 -13.308 7.718 1.00 0.70 C ATOM 1443 CG GLU A 80 2.295 -14.531 8.352 1.00 1.25 C ATOM 1444 CD GLU A 80 3.771 -14.626 8.044 1.00 1.79 C ATOM 1445 OE1 GLU A 80 4.122 -14.870 6.870 1.00 2.19 O ATOM 1446 OE2 GLU A 80 4.592 -14.450 8.969 1.00 2.52 O ATOM 0 H GLU A 80 0.978 -12.267 9.844 1.00 0.51 H new ATOM 0 HA GLU A 80 3.334 -12.097 8.326 1.00 0.49 H new ATOM 0 HB2 GLU A 80 0.593 -13.316 7.921 1.00 0.70 H new ATOM 0 HB3 GLU A 80 1.784 -13.367 6.636 1.00 0.70 H new ATOM 0 HG2 GLU A 80 2.151 -14.496 9.432 1.00 1.25 H new ATOM 0 HG3 GLU A 80 1.790 -15.428 7.992 1.00 1.25 H new ATOM 1453 N ALA A 81 0.740 -10.439 7.152 1.00 0.36 N ATOM 1454 CA ALA A 81 0.339 -9.482 6.135 1.00 0.34 C ATOM 1455 C ALA A 81 0.617 -8.049 6.578 1.00 0.31 C ATOM 1456 O ALA A 81 0.885 -7.177 5.751 1.00 0.32 O ATOM 1457 CB ALA A 81 -1.116 -9.685 5.768 1.00 0.36 C ATOM 0 H ALA A 81 0.002 -10.711 7.801 1.00 0.36 H new ATOM 0 HA ALA A 81 0.939 -9.657 5.242 1.00 0.34 H new ATOM 0 HB1 ALA A 81 -1.403 -8.961 5.005 1.00 0.36 H new ATOM 0 HB2 ALA A 81 -1.256 -10.695 5.382 1.00 0.36 H new ATOM 0 HB3 ALA A 81 -1.737 -9.545 6.653 1.00 0.36 H new ATOM 1463 N LYS A 82 0.564 -7.821 7.886 1.00 0.31 N ATOM 1464 CA LYS A 82 0.849 -6.508 8.460 1.00 0.33 C ATOM 1465 C LYS A 82 2.249 -6.030 8.084 1.00 0.33 C ATOM 1466 O LYS A 82 2.439 -4.859 7.747 1.00 0.32 O ATOM 1467 CB LYS A 82 0.698 -6.545 9.983 1.00 0.41 C ATOM 1468 CG LYS A 82 1.117 -5.249 10.664 1.00 0.60 C ATOM 1469 CD LYS A 82 0.672 -5.192 12.116 1.00 0.86 C ATOM 1470 CE LYS A 82 1.229 -6.351 12.921 1.00 1.33 C ATOM 1471 NZ LYS A 82 0.889 -6.237 14.362 1.00 2.04 N ATOM 0 H LYS A 82 0.324 -8.534 8.575 1.00 0.31 H new ATOM 0 HA LYS A 82 0.127 -5.802 8.048 1.00 0.33 H new ATOM 0 HB2 LYS A 82 -0.341 -6.758 10.233 1.00 0.41 H new ATOM 0 HB3 LYS A 82 1.296 -7.365 10.380 1.00 0.41 H new ATOM 0 HG2 LYS A 82 2.201 -5.149 10.614 1.00 0.60 H new ATOM 0 HG3 LYS A 82 0.693 -4.403 10.123 1.00 0.60 H new ATOM 0 HD2 LYS A 82 0.998 -4.251 12.560 1.00 0.86 H new ATOM 0 HD3 LYS A 82 -0.417 -5.206 12.163 1.00 0.86 H new ATOM 0 HE2 LYS A 82 0.836 -7.288 12.528 1.00 1.33 H new ATOM 0 HE3 LYS A 82 2.312 -6.386 12.805 1.00 1.33 H new ATOM 0 HZ1 LYS A 82 1.287 -7.047 14.878 1.00 2.04 H new ATOM 0 HZ2 LYS A 82 1.286 -5.355 14.744 1.00 2.04 H new ATOM 0 HZ3 LYS A 82 -0.145 -6.229 14.475 1.00 2.04 H new ATOM 1485 N GLY A 83 3.220 -6.937 8.126 1.00 0.37 N ATOM 1486 CA GLY A 83 4.582 -6.577 7.776 1.00 0.41 C ATOM 1487 C GLY A 83 4.685 -6.047 6.362 1.00 0.39 C ATOM 1488 O GLY A 83 5.390 -5.067 6.101 1.00 0.41 O ATOM 0 H GLY A 83 3.089 -7.912 8.395 1.00 0.37 H new ATOM 0 HA2 GLY A 83 4.948 -5.823 8.473 1.00 0.41 H new ATOM 0 HA3 GLY A 83 5.226 -7.450 7.884 1.00 0.41 H new ATOM 1492 N PHE A 84 3.966 -6.688 5.452 1.00 0.37 N ATOM 1493 CA PHE A 84 3.933 -6.268 4.061 1.00 0.37 C ATOM 1494 C PHE A 84 3.149 -4.970 3.899 1.00 0.34 C ATOM 1495 O PHE A 84 3.563 -4.084 3.158 1.00 0.37 O ATOM 1496 CB PHE A 84 3.321 -7.373 3.195 1.00 0.39 C ATOM 1497 CG PHE A 84 2.996 -6.946 1.791 1.00 0.74 C ATOM 1498 CD1 PHE A 84 3.982 -6.426 0.971 1.00 0.71 C ATOM 1499 CD2 PHE A 84 1.712 -7.071 1.289 1.00 1.22 C ATOM 1500 CE1 PHE A 84 3.696 -6.038 -0.321 1.00 1.13 C ATOM 1501 CE2 PHE A 84 1.421 -6.684 -0.003 1.00 1.65 C ATOM 1502 CZ PHE A 84 2.374 -6.150 -0.795 1.00 1.59 C ATOM 0 H PHE A 84 3.394 -7.507 5.656 1.00 0.37 H new ATOM 0 HA PHE A 84 4.956 -6.085 3.733 1.00 0.37 H new ATOM 0 HB2 PHE A 84 4.013 -8.214 3.156 1.00 0.39 H new ATOM 0 HB3 PHE A 84 2.410 -7.732 3.674 1.00 0.39 H new ATOM 0 HD1 PHE A 84 4.989 -6.323 1.348 1.00 0.71 H new ATOM 0 HD2 PHE A 84 0.930 -7.475 1.915 1.00 1.22 H new ATOM 0 HE1 PHE A 84 4.476 -5.653 -0.962 1.00 1.13 H new ATOM 0 HE2 PHE A 84 0.419 -6.810 -0.385 1.00 1.65 H new ATOM 0 HZ PHE A 84 2.124 -5.810 -1.789 1.00 1.59 H new ATOM 1512 N ALA A 85 2.028 -4.859 4.600 1.00 0.30 N ATOM 1513 CA ALA A 85 1.164 -3.687 4.486 1.00 0.30 C ATOM 1514 C ALA A 85 1.912 -2.401 4.823 1.00 0.32 C ATOM 1515 O ALA A 85 1.888 -1.439 4.059 1.00 0.41 O ATOM 1516 CB ALA A 85 -0.050 -3.842 5.385 1.00 0.28 C ATOM 0 H ALA A 85 1.694 -5.566 5.255 1.00 0.30 H new ATOM 0 HA ALA A 85 0.835 -3.615 3.449 1.00 0.30 H new ATOM 0 HB1 ALA A 85 -0.687 -2.962 5.292 1.00 0.28 H new ATOM 0 HB2 ALA A 85 -0.611 -4.729 5.089 1.00 0.28 H new ATOM 0 HB3 ALA A 85 0.275 -3.946 6.420 1.00 0.28 H new ATOM 1522 N GLU A 86 2.603 -2.402 5.951 1.00 0.31 N ATOM 1523 CA GLU A 86 3.328 -1.220 6.398 1.00 0.37 C ATOM 1524 C GLU A 86 4.481 -0.879 5.454 1.00 0.44 C ATOM 1525 O GLU A 86 4.840 0.289 5.301 1.00 0.70 O ATOM 1526 CB GLU A 86 3.846 -1.416 7.821 1.00 0.43 C ATOM 1527 CG GLU A 86 2.875 -0.950 8.895 1.00 0.55 C ATOM 1528 CD GLU A 86 2.871 0.562 9.067 1.00 0.95 C ATOM 1529 OE1 GLU A 86 3.704 1.097 9.833 1.00 1.11 O ATOM 1530 OE2 GLU A 86 2.023 1.225 8.433 1.00 1.96 O ATOM 0 H GLU A 86 2.678 -3.206 6.574 1.00 0.31 H new ATOM 0 HA GLU A 86 2.631 -0.382 6.389 1.00 0.37 H new ATOM 0 HB2 GLU A 86 4.066 -2.472 7.976 1.00 0.43 H new ATOM 0 HB3 GLU A 86 4.786 -0.875 7.934 1.00 0.43 H new ATOM 0 HG2 GLU A 86 1.870 -1.285 8.640 1.00 0.55 H new ATOM 0 HG3 GLU A 86 3.137 -1.419 9.844 1.00 0.55 H new ATOM 1537 N LYS A 87 5.043 -1.893 4.803 1.00 0.41 N ATOM 1538 CA LYS A 87 6.185 -1.690 3.936 1.00 0.49 C ATOM 1539 C LYS A 87 5.758 -1.351 2.506 1.00 0.49 C ATOM 1540 O LYS A 87 6.378 -0.518 1.854 1.00 0.57 O ATOM 1541 CB LYS A 87 7.090 -2.920 3.963 1.00 0.57 C ATOM 1542 CG LYS A 87 8.283 -2.810 3.035 1.00 0.69 C ATOM 1543 CD LYS A 87 9.416 -3.737 3.452 1.00 1.25 C ATOM 1544 CE LYS A 87 10.379 -3.071 4.433 1.00 1.75 C ATOM 1545 NZ LYS A 87 9.702 -2.585 5.667 1.00 2.12 N ATOM 0 H LYS A 87 4.723 -2.859 4.863 1.00 0.41 H new ATOM 0 HA LYS A 87 6.746 -0.835 4.312 1.00 0.49 H new ATOM 0 HB2 LYS A 87 7.445 -3.079 4.981 1.00 0.57 H new ATOM 0 HB3 LYS A 87 6.505 -3.798 3.689 1.00 0.57 H new ATOM 0 HG2 LYS A 87 7.974 -3.050 2.017 1.00 0.69 H new ATOM 0 HG3 LYS A 87 8.641 -1.781 3.025 1.00 0.69 H new ATOM 0 HD2 LYS A 87 8.999 -4.634 3.909 1.00 1.25 H new ATOM 0 HD3 LYS A 87 9.966 -4.056 2.567 1.00 1.25 H new ATOM 0 HE2 LYS A 87 11.159 -3.781 4.708 1.00 1.75 H new ATOM 0 HE3 LYS A 87 10.871 -2.233 3.940 1.00 1.75 H new ATOM 0 HZ1 LYS A 87 10.413 -2.219 6.332 1.00 2.12 H new ATOM 0 HZ2 LYS A 87 9.035 -1.826 5.421 1.00 2.12 H new ATOM 0 HZ3 LYS A 87 9.184 -3.370 6.111 1.00 2.12 H new ATOM 1559 N SER A 88 4.701 -1.981 2.017 1.00 0.46 N ATOM 1560 CA SER A 88 4.192 -1.660 0.687 1.00 0.51 C ATOM 1561 C SER A 88 3.779 -0.193 0.633 1.00 0.51 C ATOM 1562 O SER A 88 4.032 0.504 -0.352 1.00 0.57 O ATOM 1563 CB SER A 88 3.017 -2.570 0.315 1.00 0.56 C ATOM 1564 OG SER A 88 2.050 -2.614 1.345 1.00 0.48 O ATOM 0 H SER A 88 4.183 -2.708 2.511 1.00 0.46 H new ATOM 0 HA SER A 88 4.985 -1.830 -0.041 1.00 0.51 H new ATOM 0 HB2 SER A 88 2.555 -2.211 -0.605 1.00 0.56 H new ATOM 0 HB3 SER A 88 3.384 -3.577 0.116 1.00 0.56 H new ATOM 0 HG SER A 88 2.369 -3.193 2.069 1.00 0.48 H new ATOM 1570 N ILE A 89 3.167 0.273 1.716 1.00 0.50 N ATOM 1571 CA ILE A 89 2.799 1.674 1.845 1.00 0.56 C ATOM 1572 C ILE A 89 4.042 2.565 1.859 1.00 0.55 C ATOM 1573 O ILE A 89 4.055 3.610 1.215 1.00 0.59 O ATOM 1574 CB ILE A 89 1.926 1.927 3.107 1.00 0.63 C ATOM 1575 CG1 ILE A 89 0.439 1.728 2.789 1.00 0.83 C ATOM 1576 CG2 ILE A 89 2.148 3.326 3.668 1.00 0.79 C ATOM 1577 CD1 ILE A 89 0.080 0.339 2.308 1.00 1.09 C ATOM 0 H ILE A 89 2.915 -0.303 2.519 1.00 0.50 H new ATOM 0 HA ILE A 89 2.198 1.934 0.973 1.00 0.56 H new ATOM 0 HB ILE A 89 2.230 1.201 3.861 1.00 0.63 H new ATOM 0 HG12 ILE A 89 -0.144 1.951 3.683 1.00 0.83 H new ATOM 0 HG13 ILE A 89 0.144 2.450 2.028 1.00 0.83 H new ATOM 0 HG21 ILE A 89 1.522 3.468 4.549 1.00 0.79 H new ATOM 0 HG22 ILE A 89 3.196 3.445 3.944 1.00 0.79 H new ATOM 0 HG23 ILE A 89 1.885 4.067 2.913 1.00 0.79 H new ATOM 0 HD11 ILE A 89 -0.990 0.289 2.107 1.00 1.09 H new ATOM 0 HD12 ILE A 89 0.631 0.116 1.395 1.00 1.09 H new ATOM 0 HD13 ILE A 89 0.340 -0.390 3.075 1.00 1.09 H new ATOM 1584 N GLU A 90 5.099 2.145 2.562 1.00 0.53 N ATOM 1585 CA GLU A 90 6.307 2.963 2.660 1.00 0.60 C ATOM 1586 C GLU A 90 7.001 3.069 1.301 1.00 0.56 C ATOM 1587 O GLU A 90 7.598 4.099 0.980 1.00 0.63 O ATOM 1588 CB GLU A 90 7.280 2.429 3.728 1.00 0.69 C ATOM 1589 CG GLU A 90 8.156 1.273 3.276 1.00 1.28 C ATOM 1590 CD GLU A 90 9.112 0.803 4.353 1.00 2.08 C ATOM 1591 OE1 GLU A 90 10.217 1.374 4.467 1.00 2.41 O ATOM 1592 OE2 GLU A 90 8.758 -0.139 5.095 1.00 2.82 O ATOM 0 H GLU A 90 5.141 1.258 3.063 1.00 0.53 H new ATOM 0 HA GLU A 90 5.998 3.960 2.972 1.00 0.60 H new ATOM 0 HB2 GLU A 90 7.923 3.247 4.054 1.00 0.69 H new ATOM 0 HB3 GLU A 90 6.704 2.111 4.597 1.00 0.69 H new ATOM 0 HG2 GLU A 90 7.522 0.440 2.971 1.00 1.28 H new ATOM 0 HG3 GLU A 90 8.726 1.577 2.398 1.00 1.28 H new ATOM 1599 N ILE A 91 6.904 2.014 0.500 1.00 0.47 N ATOM 1600 CA ILE A 91 7.484 2.010 -0.834 1.00 0.46 C ATOM 1601 C ILE A 91 6.665 2.888 -1.777 1.00 0.47 C ATOM 1602 O ILE A 91 7.201 3.785 -2.429 1.00 0.51 O ATOM 1603 CB ILE A 91 7.572 0.578 -1.408 1.00 0.43 C ATOM 1604 CG1 ILE A 91 8.423 -0.314 -0.498 1.00 0.43 C ATOM 1605 CG2 ILE A 91 8.155 0.609 -2.813 1.00 0.49 C ATOM 1606 CD1 ILE A 91 8.478 -1.762 -0.936 1.00 0.45 C ATOM 0 H ILE A 91 6.427 1.149 0.754 1.00 0.47 H new ATOM 0 HA ILE A 91 8.494 2.411 -0.751 1.00 0.46 H new ATOM 0 HB ILE A 91 6.566 0.161 -1.456 1.00 0.43 H new ATOM 0 HG12 ILE A 91 9.437 0.083 -0.462 1.00 0.43 H new ATOM 0 HG13 ILE A 91 8.026 -0.266 0.516 1.00 0.43 H new ATOM 0 HG21 ILE A 91 8.212 -0.406 -3.206 1.00 0.49 H new ATOM 0 HG22 ILE A 91 7.517 1.213 -3.458 1.00 0.49 H new ATOM 0 HG23 ILE A 91 9.155 1.043 -2.783 1.00 0.49 H new ATOM 0 HD11 ILE A 91 9.099 -2.329 -0.242 1.00 0.45 H new ATOM 0 HD12 ILE A 91 7.471 -2.178 -0.944 1.00 0.45 H new ATOM 0 HD13 ILE A 91 8.904 -1.823 -1.937 1.00 0.45 H new ATOM 1613 N ALA A 92 5.357 2.638 -1.822 1.00 0.47 N ATOM 1614 CA ALA A 92 4.453 3.391 -2.689 1.00 0.53 C ATOM 1615 C ALA A 92 4.458 4.873 -2.336 1.00 0.60 C ATOM 1616 O ALA A 92 4.498 5.737 -3.217 1.00 0.64 O ATOM 1617 CB ALA A 92 3.041 2.832 -2.582 1.00 0.56 C ATOM 0 H ALA A 92 4.899 1.917 -1.265 1.00 0.47 H new ATOM 0 HA ALA A 92 4.804 3.287 -3.716 1.00 0.53 H new ATOM 0 HB1 ALA A 92 2.375 3.400 -3.232 1.00 0.56 H new ATOM 0 HB2 ALA A 92 3.040 1.785 -2.887 1.00 0.56 H new ATOM 0 HB3 ALA A 92 2.696 2.910 -1.551 1.00 0.56 H new ATOM 1623 N ARG A 93 4.425 5.166 -1.041 1.00 0.66 N ATOM 1624 CA ARG A 93 4.427 6.547 -0.584 1.00 0.77 C ATOM 1625 C ARG A 93 5.748 7.217 -0.924 1.00 0.68 C ATOM 1626 O ARG A 93 5.805 8.429 -1.035 1.00 0.68 O ATOM 1627 CB ARG A 93 4.164 6.657 0.923 1.00 0.99 C ATOM 1628 CG ARG A 93 5.373 6.357 1.796 1.00 1.55 C ATOM 1629 CD ARG A 93 5.029 6.480 3.270 1.00 1.83 C ATOM 1630 NE ARG A 93 6.158 6.149 4.140 1.00 2.71 N ATOM 1631 CZ ARG A 93 6.061 5.357 5.208 1.00 3.44 C ATOM 1632 NH1 ARG A 93 4.918 4.738 5.474 1.00 3.55 N ATOM 1633 NH2 ARG A 93 7.113 5.159 5.995 1.00 4.42 N ATOM 0 H ARG A 93 4.397 4.470 -0.295 1.00 0.66 H new ATOM 0 HA ARG A 93 3.615 7.056 -1.103 1.00 0.77 H new ATOM 0 HB2 ARG A 93 3.812 7.664 1.145 1.00 0.99 H new ATOM 0 HB3 ARG A 93 3.359 5.972 1.190 1.00 0.99 H new ATOM 0 HG2 ARG A 93 5.735 5.350 1.587 1.00 1.55 H new ATOM 0 HG3 ARG A 93 6.182 7.044 1.550 1.00 1.55 H new ATOM 0 HD2 ARG A 93 4.700 7.498 3.479 1.00 1.83 H new ATOM 0 HD3 ARG A 93 4.192 5.821 3.500 1.00 1.83 H new ATOM 0 HE ARG A 93 7.070 6.547 3.917 1.00 2.71 H new ATOM 0 HH11 ARG A 93 4.113 4.868 4.861 1.00 3.55 H new ATOM 0 HH12 ARG A 93 4.844 4.132 6.291 1.00 3.55 H new ATOM 0 HH21 ARG A 93 8.001 5.614 5.783 1.00 4.42 H new ATOM 0 HH22 ARG A 93 7.033 4.552 6.811 1.00 4.42 H new ATOM 1647 N GLY A 94 6.802 6.420 -1.101 1.00 0.66 N ATOM 1648 CA GLY A 94 8.108 6.967 -1.411 1.00 0.65 C ATOM 1649 C GLY A 94 8.180 7.505 -2.822 1.00 0.56 C ATOM 1650 O GLY A 94 8.741 8.577 -3.062 1.00 0.56 O ATOM 0 H GLY A 94 6.771 5.403 -1.034 1.00 0.66 H new ATOM 0 HA2 GLY A 94 8.342 7.765 -0.707 1.00 0.65 H new ATOM 0 HA3 GLY A 94 8.865 6.194 -1.279 1.00 0.65 H new ATOM 1654 N ILE A 95 7.590 6.773 -3.757 1.00 0.52 N ATOM 1655 CA ILE A 95 7.535 7.212 -5.143 1.00 0.48 C ATOM 1656 C ILE A 95 6.679 8.465 -5.235 1.00 0.47 C ATOM 1657 O ILE A 95 7.046 9.458 -5.867 1.00 0.49 O ATOM 1658 CB ILE A 95 6.940 6.113 -6.050 1.00 0.50 C ATOM 1659 CG1 ILE A 95 7.788 4.840 -5.974 1.00 0.53 C ATOM 1660 CG2 ILE A 95 6.829 6.601 -7.487 1.00 0.52 C ATOM 1661 CD1 ILE A 95 9.219 5.030 -6.430 1.00 0.55 C ATOM 0 H ILE A 95 7.143 5.873 -3.580 1.00 0.52 H new ATOM 0 HA ILE A 95 8.549 7.423 -5.482 1.00 0.48 H new ATOM 0 HB ILE A 95 5.937 5.880 -5.694 1.00 0.50 H new ATOM 0 HG12 ILE A 95 7.789 4.477 -4.946 1.00 0.53 H new ATOM 0 HG13 ILE A 95 7.322 4.067 -6.585 1.00 0.53 H new ATOM 0 HG21 ILE A 95 6.407 5.811 -8.108 1.00 0.52 H new ATOM 0 HG22 ILE A 95 6.181 7.477 -7.525 1.00 0.52 H new ATOM 0 HG23 ILE A 95 7.819 6.866 -7.859 1.00 0.52 H new ATOM 0 HD11 ILE A 95 9.756 4.085 -6.347 1.00 0.55 H new ATOM 0 HD12 ILE A 95 9.229 5.363 -7.468 1.00 0.55 H new ATOM 0 HD13 ILE A 95 9.704 5.779 -5.804 1.00 0.55 H new ATOM 1668 N LYS A 96 5.554 8.416 -4.545 1.00 0.50 N ATOM 1669 CA LYS A 96 4.632 9.534 -4.471 1.00 0.54 C ATOM 1670 C LYS A 96 5.017 10.452 -3.302 1.00 0.57 C ATOM 1671 O LYS A 96 4.167 11.090 -2.681 1.00 0.83 O ATOM 1672 CB LYS A 96 3.208 8.998 -4.316 1.00 0.64 C ATOM 1673 CG LYS A 96 2.118 10.029 -4.519 1.00 1.47 C ATOM 1674 CD LYS A 96 0.793 9.552 -3.947 1.00 1.78 C ATOM 1675 CE LYS A 96 0.867 9.398 -2.436 1.00 1.90 C ATOM 1676 NZ LYS A 96 1.369 10.637 -1.778 1.00 2.70 N ATOM 0 H LYS A 96 5.253 7.596 -4.018 1.00 0.50 H new ATOM 0 HA LYS A 96 4.683 10.124 -5.386 1.00 0.54 H new ATOM 0 HB2 LYS A 96 3.060 8.187 -5.029 1.00 0.64 H new ATOM 0 HB3 LYS A 96 3.102 8.569 -3.320 1.00 0.64 H new ATOM 0 HG2 LYS A 96 2.407 10.965 -4.041 1.00 1.47 H new ATOM 0 HG3 LYS A 96 2.004 10.236 -5.583 1.00 1.47 H new ATOM 0 HD2 LYS A 96 0.007 10.262 -4.204 1.00 1.78 H new ATOM 0 HD3 LYS A 96 0.522 8.598 -4.399 1.00 1.78 H new ATOM 0 HE2 LYS A 96 -0.121 9.154 -2.047 1.00 1.90 H new ATOM 0 HE3 LYS A 96 1.522 8.563 -2.187 1.00 1.90 H new ATOM 0 HZ1 LYS A 96 1.170 10.593 -0.758 1.00 2.70 H new ATOM 0 HZ2 LYS A 96 2.395 10.718 -1.928 1.00 2.70 H new ATOM 0 HZ3 LYS A 96 0.893 11.465 -2.188 1.00 2.70 H new ATOM 1690 N ALA A 97 6.309 10.463 -2.996 1.00 0.50 N ATOM 1691 CA ALA A 97 6.907 11.444 -2.091 1.00 0.53 C ATOM 1692 C ALA A 97 8.006 12.212 -2.791 1.00 0.46 C ATOM 1693 O ALA A 97 8.181 13.406 -2.555 1.00 0.48 O ATOM 1694 CB ALA A 97 7.463 10.777 -0.843 1.00 0.63 C ATOM 0 H ALA A 97 6.977 9.789 -3.370 1.00 0.50 H new ATOM 0 HA ALA A 97 6.120 12.136 -1.791 1.00 0.53 H new ATOM 0 HB1 ALA A 97 7.901 11.533 -0.191 1.00 0.63 H new ATOM 0 HB2 ALA A 97 6.659 10.264 -0.316 1.00 0.63 H new ATOM 0 HB3 ALA A 97 8.229 10.055 -1.127 1.00 0.63 H new ATOM 1700 N ARG A 98 8.725 11.550 -3.678 1.00 0.41 N ATOM 1701 CA ARG A 98 9.748 12.234 -4.444 1.00 0.44 C ATOM 1702 C ARG A 98 9.103 12.973 -5.606 1.00 0.44 C ATOM 1703 O ARG A 98 9.777 13.627 -6.376 1.00 0.53 O ATOM 1704 CB ARG A 98 10.843 11.275 -4.922 1.00 0.51 C ATOM 1705 CG ARG A 98 10.322 10.115 -5.752 1.00 1.02 C ATOM 1706 CD ARG A 98 11.456 9.245 -6.272 1.00 0.81 C ATOM 1707 NE ARG A 98 12.328 9.964 -7.202 1.00 1.51 N ATOM 1708 CZ ARG A 98 13.513 9.507 -7.608 1.00 1.94 C ATOM 1709 NH1 ARG A 98 13.968 8.347 -7.156 1.00 1.37 N ATOM 1710 NH2 ARG A 98 14.242 10.206 -8.471 1.00 3.10 N ATOM 0 H ARG A 98 8.622 10.556 -3.883 1.00 0.41 H new ATOM 0 HA ARG A 98 10.240 12.959 -3.795 1.00 0.44 H new ATOM 0 HB2 ARG A 98 11.570 11.833 -5.511 1.00 0.51 H new ATOM 0 HB3 ARG A 98 11.372 10.880 -4.054 1.00 0.51 H new ATOM 0 HG2 ARG A 98 9.646 9.510 -5.148 1.00 1.02 H new ATOM 0 HG3 ARG A 98 9.743 10.499 -6.592 1.00 1.02 H new ATOM 0 HD2 ARG A 98 12.047 8.882 -5.431 1.00 0.81 H new ATOM 0 HD3 ARG A 98 11.040 8.370 -6.771 1.00 0.81 H new ATOM 0 HE ARG A 98 12.011 10.865 -7.560 1.00 1.51 H new ATOM 0 HH11 ARG A 98 13.411 7.803 -6.497 1.00 1.37 H new ATOM 0 HH12 ARG A 98 14.875 7.999 -7.467 1.00 1.37 H new ATOM 0 HH21 ARG A 98 13.896 11.097 -8.827 1.00 3.10 H new ATOM 0 HH22 ARG A 98 15.148 9.851 -8.778 1.00 3.10 H new ATOM 1724 N TYR A 99 7.788 12.875 -5.717 1.00 0.44 N ATOM 1725 CA TYR A 99 7.038 13.773 -6.586 1.00 0.50 C ATOM 1726 C TYR A 99 6.795 15.106 -5.877 1.00 0.54 C ATOM 1727 O TYR A 99 6.691 16.147 -6.522 1.00 0.64 O ATOM 1728 CB TYR A 99 5.699 13.157 -6.999 1.00 0.53 C ATOM 1729 CG TYR A 99 5.751 12.356 -8.281 1.00 0.59 C ATOM 1730 CD1 TYR A 99 6.217 12.920 -9.461 1.00 0.73 C ATOM 1731 CD2 TYR A 99 5.346 11.026 -8.304 1.00 0.60 C ATOM 1732 CE1 TYR A 99 6.278 12.182 -10.628 1.00 0.85 C ATOM 1733 CE2 TYR A 99 5.402 10.282 -9.467 1.00 0.71 C ATOM 1734 CZ TYR A 99 5.822 10.901 -10.652 1.00 0.83 C ATOM 1735 OH TYR A 99 5.933 10.126 -11.788 1.00 0.97 O ATOM 0 H TYR A 99 7.219 12.189 -5.221 1.00 0.44 H new ATOM 0 HA TYR A 99 7.629 13.940 -7.486 1.00 0.50 H new ATOM 0 HB2 TYR A 99 5.346 12.511 -6.195 1.00 0.53 H new ATOM 0 HB3 TYR A 99 4.965 13.955 -7.112 1.00 0.53 H new ATOM 0 HD1 TYR A 99 6.537 13.952 -9.467 1.00 0.73 H new ATOM 0 HD2 TYR A 99 4.981 10.567 -7.397 1.00 0.60 H new ATOM 0 HE1 TYR A 99 6.689 12.624 -11.524 1.00 0.85 H new ATOM 0 HE2 TYR A 99 5.126 9.238 -9.463 1.00 0.71 H new ATOM 0 HH TYR A 99 5.554 9.239 -11.617 1.00 0.97 H new ATOM 1745 N TYR A 100 6.720 15.067 -4.543 1.00 0.51 N ATOM 1746 CA TYR A 100 6.449 16.273 -3.757 1.00 0.58 C ATOM 1747 C TYR A 100 7.653 17.202 -3.739 1.00 0.58 C ATOM 1748 O TYR A 100 7.510 18.420 -3.719 1.00 0.71 O ATOM 1749 CB TYR A 100 6.078 15.938 -2.313 1.00 0.57 C ATOM 1750 CG TYR A 100 4.721 15.306 -2.143 1.00 0.72 C ATOM 1751 CD1 TYR A 100 3.594 15.918 -2.657 1.00 1.03 C ATOM 1752 CD2 TYR A 100 4.565 14.093 -1.489 1.00 0.97 C ATOM 1753 CE1 TYR A 100 2.347 15.351 -2.523 1.00 1.26 C ATOM 1754 CE2 TYR A 100 3.319 13.516 -1.348 1.00 1.16 C ATOM 1755 CZ TYR A 100 2.234 14.127 -1.795 1.00 1.21 C ATOM 1756 OH TYR A 100 0.963 13.597 -1.734 1.00 1.48 O ATOM 0 H TYR A 100 6.842 14.220 -3.989 1.00 0.51 H new ATOM 0 HA TYR A 100 5.607 16.769 -4.239 1.00 0.58 H new ATOM 0 HB2 TYR A 100 6.831 15.264 -1.905 1.00 0.57 H new ATOM 0 HB3 TYR A 100 6.115 16.853 -1.721 1.00 0.57 H new ATOM 0 HD1 TYR A 100 3.694 16.861 -3.175 1.00 1.03 H new ATOM 0 HD2 TYR A 100 5.432 13.592 -1.084 1.00 0.97 H new ATOM 0 HE1 TYR A 100 1.476 15.819 -2.957 1.00 1.26 H new ATOM 0 HE2 TYR A 100 3.229 12.553 -0.867 1.00 1.16 H new ATOM 0 HH TYR A 100 0.575 13.778 -0.852 1.00 1.48 H new ATOM 1766 N THR A 101 8.835 16.608 -3.746 1.00 0.55 N ATOM 1767 CA THR A 101 10.079 17.346 -3.594 1.00 0.66 C ATOM 1768 C THR A 101 10.445 18.142 -4.846 1.00 0.71 C ATOM 1769 O THR A 101 11.340 18.989 -4.814 1.00 0.71 O ATOM 1770 CB THR A 101 11.222 16.372 -3.271 1.00 0.71 C ATOM 1771 OG1 THR A 101 11.253 15.319 -4.241 1.00 0.65 O ATOM 1772 CG2 THR A 101 11.039 15.780 -1.878 1.00 0.87 C ATOM 0 H THR A 101 8.960 15.602 -3.857 1.00 0.55 H new ATOM 0 HA THR A 101 9.932 18.055 -2.779 1.00 0.66 H new ATOM 0 HB THR A 101 12.164 16.919 -3.300 1.00 0.71 H new ATOM 0 HG1 THR A 101 11.985 14.702 -4.031 1.00 0.65 H new ATOM 0 HG21 THR A 101 11.857 15.092 -1.665 1.00 0.87 H new ATOM 0 HG22 THR A 101 11.037 16.582 -1.139 1.00 0.87 H new ATOM 0 HG23 THR A 101 10.092 15.242 -1.833 1.00 0.87 H new ATOM 1780 N GLY A 102 9.754 17.869 -5.945 1.00 0.82 N ATOM 1781 CA GLY A 102 10.107 18.475 -7.217 1.00 0.95 C ATOM 1782 C GLY A 102 10.889 17.509 -8.083 1.00 0.95 C ATOM 1783 O GLY A 102 11.319 17.843 -9.185 1.00 1.16 O ATOM 0 H GLY A 102 8.954 17.238 -5.980 1.00 0.82 H new ATOM 0 HA2 GLY A 102 9.202 18.785 -7.739 1.00 0.95 H new ATOM 0 HA3 GLY A 102 10.699 19.374 -7.043 1.00 0.95 H new ATOM 1787 N ASN A 103 11.075 16.306 -7.560 1.00 0.82 N ATOM 1788 CA ASN A 103 11.744 15.234 -8.281 1.00 0.89 C ATOM 1789 C ASN A 103 10.689 14.483 -9.101 1.00 0.98 C ATOM 1790 O ASN A 103 9.489 14.626 -8.849 1.00 1.83 O ATOM 1791 CB ASN A 103 12.441 14.309 -7.264 1.00 0.90 C ATOM 1792 CG ASN A 103 13.465 13.351 -7.858 1.00 1.28 C ATOM 1793 OD1 ASN A 103 13.363 12.915 -9.002 1.00 1.76 O ATOM 1794 ND2 ASN A 103 14.459 12.996 -7.057 1.00 1.65 N ATOM 0 H ASN A 103 10.766 16.046 -6.623 1.00 0.82 H new ATOM 0 HA ASN A 103 12.505 15.620 -8.959 1.00 0.89 H new ATOM 0 HB2 ASN A 103 12.936 14.926 -6.515 1.00 0.90 H new ATOM 0 HB3 ASN A 103 11.680 13.727 -6.745 1.00 0.90 H new ATOM 0 HD21 ASN A 103 15.169 12.342 -7.385 1.00 1.65 H new ATOM 0 HD22 ASN A 103 14.514 13.377 -6.112 1.00 1.65 H new ATOM 1801 N GLU A 104 11.112 13.717 -10.089 1.00 0.56 N ATOM 1802 CA GLU A 104 10.181 12.997 -10.942 1.00 0.56 C ATOM 1803 C GLU A 104 10.697 11.595 -11.246 1.00 0.49 C ATOM 1804 O GLU A 104 11.538 11.419 -12.127 1.00 0.55 O ATOM 1805 CB GLU A 104 9.964 13.766 -12.239 1.00 0.67 C ATOM 1806 CG GLU A 104 9.250 15.089 -12.040 1.00 0.80 C ATOM 1807 CD GLU A 104 9.523 16.061 -13.167 1.00 1.15 C ATOM 1808 OE1 GLU A 104 10.579 16.730 -13.137 1.00 1.17 O ATOM 1809 OE2 GLU A 104 8.679 16.175 -14.079 1.00 1.75 O ATOM 0 H GLU A 104 12.095 13.576 -10.322 1.00 0.56 H new ATOM 0 HA GLU A 104 9.231 12.906 -10.415 1.00 0.56 H new ATOM 0 HB2 GLU A 104 10.930 13.950 -12.710 1.00 0.67 H new ATOM 0 HB3 GLU A 104 9.386 13.149 -12.927 1.00 0.67 H new ATOM 0 HG2 GLU A 104 8.177 14.913 -11.966 1.00 0.80 H new ATOM 0 HG3 GLU A 104 9.566 15.532 -11.096 1.00 0.80 H new ATOM 1816 N PRO A 105 10.216 10.582 -10.504 1.00 0.44 N ATOM 1817 CA PRO A 105 10.607 9.186 -10.730 1.00 0.44 C ATOM 1818 C PRO A 105 10.311 8.744 -12.157 1.00 0.42 C ATOM 1819 O PRO A 105 9.273 9.108 -12.720 1.00 0.47 O ATOM 1820 CB PRO A 105 9.742 8.394 -9.740 1.00 0.48 C ATOM 1821 CG PRO A 105 8.691 9.338 -9.268 1.00 0.53 C ATOM 1822 CD PRO A 105 9.275 10.714 -9.385 1.00 0.49 C ATOM 0 HA PRO A 105 11.677 9.034 -10.586 1.00 0.44 H new ATOM 0 HB2 PRO A 105 9.297 7.523 -10.221 1.00 0.48 H new ATOM 0 HB3 PRO A 105 10.340 8.027 -8.906 1.00 0.48 H new ATOM 0 HG2 PRO A 105 7.788 9.247 -9.871 1.00 0.53 H new ATOM 0 HG3 PRO A 105 8.409 9.122 -8.237 1.00 0.53 H new ATOM 0 HD2 PRO A 105 8.508 11.461 -9.589 1.00 0.49 H new ATOM 0 HD3 PRO A 105 9.780 11.017 -8.468 1.00 0.49 H new ATOM 1830 N THR A 106 11.211 7.981 -12.748 1.00 0.42 N ATOM 1831 CA THR A 106 10.989 7.470 -14.088 1.00 0.42 C ATOM 1832 C THR A 106 10.040 6.276 -14.027 1.00 0.39 C ATOM 1833 O THR A 106 9.797 5.744 -12.943 1.00 0.41 O ATOM 1834 CB THR A 106 12.316 7.068 -14.773 1.00 0.50 C ATOM 1835 OG1 THR A 106 12.075 6.614 -16.111 1.00 1.48 O ATOM 1836 CG2 THR A 106 13.023 5.978 -13.987 1.00 1.05 C ATOM 0 H THR A 106 12.097 7.703 -12.325 1.00 0.42 H new ATOM 0 HA THR A 106 10.541 8.263 -14.686 1.00 0.42 H new ATOM 0 HB THR A 106 12.955 7.951 -14.804 1.00 0.50 H new ATOM 0 HG1 THR A 106 12.925 6.365 -16.530 1.00 1.48 H new ATOM 0 HG21 THR A 106 13.953 5.713 -14.489 1.00 1.05 H new ATOM 0 HG22 THR A 106 13.243 6.338 -12.982 1.00 1.05 H new ATOM 0 HG23 THR A 106 12.381 5.099 -13.925 1.00 1.05 H new ATOM 1844 N LYS A 107 9.495 5.851 -15.159 1.00 0.39 N ATOM 1845 CA LYS A 107 8.571 4.720 -15.168 1.00 0.39 C ATOM 1846 C LYS A 107 9.244 3.478 -14.582 1.00 0.36 C ATOM 1847 O LYS A 107 8.612 2.669 -13.903 1.00 0.38 O ATOM 1848 CB LYS A 107 8.073 4.429 -16.588 1.00 0.43 C ATOM 1849 CG LYS A 107 9.190 4.174 -17.587 1.00 1.33 C ATOM 1850 CD LYS A 107 8.650 3.670 -18.912 1.00 1.66 C ATOM 1851 CE LYS A 107 9.761 3.482 -19.932 1.00 2.22 C ATOM 1852 NZ LYS A 107 10.806 2.533 -19.457 1.00 2.88 N ATOM 0 H LYS A 107 9.672 6.265 -16.074 1.00 0.39 H new ATOM 0 HA LYS A 107 7.712 4.982 -14.551 1.00 0.39 H new ATOM 0 HB2 LYS A 107 7.415 3.560 -16.562 1.00 0.43 H new ATOM 0 HB3 LYS A 107 7.474 5.272 -16.933 1.00 0.43 H new ATOM 0 HG2 LYS A 107 9.751 5.094 -17.749 1.00 1.33 H new ATOM 0 HG3 LYS A 107 9.887 3.444 -17.176 1.00 1.33 H new ATOM 0 HD2 LYS A 107 8.132 2.723 -18.758 1.00 1.66 H new ATOM 0 HD3 LYS A 107 7.915 4.376 -19.299 1.00 1.66 H new ATOM 0 HE2 LYS A 107 9.336 3.114 -20.866 1.00 2.22 H new ATOM 0 HE3 LYS A 107 10.220 4.447 -20.149 1.00 2.22 H new ATOM 0 HZ1 LYS A 107 11.388 2.225 -20.262 1.00 2.88 H new ATOM 0 HZ2 LYS A 107 11.410 3.005 -18.754 1.00 2.88 H new ATOM 0 HZ3 LYS A 107 10.351 1.705 -19.022 1.00 2.88 H new ATOM 1866 N ASP A 108 10.546 3.367 -14.823 1.00 0.36 N ATOM 1867 CA ASP A 108 11.330 2.232 -14.351 1.00 0.38 C ATOM 1868 C ASP A 108 11.449 2.244 -12.832 1.00 0.36 C ATOM 1869 O ASP A 108 11.621 1.197 -12.206 1.00 0.38 O ATOM 1870 CB ASP A 108 12.719 2.238 -14.991 1.00 0.47 C ATOM 1871 CG ASP A 108 12.672 1.952 -16.476 1.00 1.29 C ATOM 1872 OD1 ASP A 108 12.392 2.887 -17.255 1.00 2.24 O ATOM 1873 OD2 ASP A 108 12.930 0.795 -16.878 1.00 1.26 O ATOM 0 H ASP A 108 11.084 4.056 -15.348 1.00 0.36 H new ATOM 0 HA ASP A 108 10.812 1.319 -14.645 1.00 0.38 H new ATOM 0 HB2 ASP A 108 13.188 3.208 -14.825 1.00 0.47 H new ATOM 0 HB3 ASP A 108 13.345 1.493 -14.500 1.00 0.47 H new ATOM 1878 N ASP A 109 11.344 3.431 -12.244 1.00 0.36 N ATOM 1879 CA ASP A 109 11.354 3.575 -10.795 1.00 0.37 C ATOM 1880 C ASP A 109 10.087 2.960 -10.218 1.00 0.34 C ATOM 1881 O ASP A 109 10.127 2.206 -9.246 1.00 0.36 O ATOM 1882 CB ASP A 109 11.430 5.056 -10.418 1.00 0.39 C ATOM 1883 CG ASP A 109 11.867 5.277 -8.981 1.00 0.88 C ATOM 1884 OD1 ASP A 109 12.314 4.313 -8.330 1.00 0.94 O ATOM 1885 OD2 ASP A 109 11.804 6.429 -8.510 1.00 1.73 O ATOM 0 H ASP A 109 11.251 4.310 -12.753 1.00 0.36 H new ATOM 0 HA ASP A 109 12.225 3.062 -10.387 1.00 0.37 H new ATOM 0 HB2 ASP A 109 12.127 5.561 -11.086 1.00 0.39 H new ATOM 0 HB3 ASP A 109 10.453 5.515 -10.570 1.00 0.39 H new ATOM 1890 N LEU A 110 8.959 3.273 -10.855 1.00 0.30 N ATOM 1891 CA LEU A 110 7.663 2.733 -10.457 1.00 0.30 C ATOM 1892 C LEU A 110 7.640 1.221 -10.637 1.00 0.29 C ATOM 1893 O LEU A 110 7.191 0.488 -9.756 1.00 0.33 O ATOM 1894 CB LEU A 110 6.521 3.368 -11.267 1.00 0.30 C ATOM 1895 CG LEU A 110 6.078 4.768 -10.826 1.00 0.38 C ATOM 1896 CD1 LEU A 110 7.215 5.764 -10.932 1.00 0.82 C ATOM 1897 CD2 LEU A 110 4.891 5.231 -11.661 1.00 0.82 C ATOM 0 H LEU A 110 8.919 3.904 -11.656 1.00 0.30 H new ATOM 0 HA LEU A 110 7.514 2.974 -9.404 1.00 0.30 H new ATOM 0 HB2 LEU A 110 6.828 3.419 -12.312 1.00 0.30 H new ATOM 0 HB3 LEU A 110 5.657 2.705 -11.221 1.00 0.30 H new ATOM 0 HG LEU A 110 5.778 4.712 -9.780 1.00 0.38 H new ATOM 0 HD11 LEU A 110 6.869 6.747 -10.612 1.00 0.82 H new ATOM 0 HD12 LEU A 110 8.039 5.444 -10.294 1.00 0.82 H new ATOM 0 HD13 LEU A 110 7.556 5.818 -11.966 1.00 0.82 H new ATOM 0 HD21 LEU A 110 4.585 6.226 -11.339 1.00 0.82 H new ATOM 0 HD22 LEU A 110 5.176 5.262 -12.713 1.00 0.82 H new ATOM 0 HD23 LEU A 110 4.061 4.537 -11.530 1.00 0.82 H new ATOM 1909 N LYS A 111 8.143 0.758 -11.778 1.00 0.28 N ATOM 1910 CA LYS A 111 8.215 -0.673 -12.056 1.00 0.31 C ATOM 1911 C LYS A 111 8.993 -1.389 -10.960 1.00 0.33 C ATOM 1912 O LYS A 111 8.604 -2.461 -10.502 1.00 0.35 O ATOM 1913 CB LYS A 111 8.871 -0.923 -13.417 1.00 0.37 C ATOM 1914 CG LYS A 111 8.072 -0.360 -14.584 1.00 0.93 C ATOM 1915 CD LYS A 111 8.770 -0.586 -15.918 1.00 0.92 C ATOM 1916 CE LYS A 111 8.760 -2.055 -16.325 1.00 1.02 C ATOM 1917 NZ LYS A 111 7.380 -2.568 -16.526 1.00 1.74 N ATOM 0 H LYS A 111 8.506 1.352 -12.524 1.00 0.28 H new ATOM 0 HA LYS A 111 7.200 -1.069 -12.080 1.00 0.31 H new ATOM 0 HB2 LYS A 111 9.866 -0.479 -13.420 1.00 0.37 H new ATOM 0 HB3 LYS A 111 9.000 -1.996 -13.558 1.00 0.37 H new ATOM 0 HG2 LYS A 111 7.087 -0.827 -14.607 1.00 0.93 H new ATOM 0 HG3 LYS A 111 7.915 0.708 -14.434 1.00 0.93 H new ATOM 0 HD2 LYS A 111 8.279 0.007 -16.689 1.00 0.92 H new ATOM 0 HD3 LYS A 111 9.800 -0.235 -15.853 1.00 0.92 H new ATOM 0 HE2 LYS A 111 9.331 -2.180 -17.245 1.00 1.02 H new ATOM 0 HE3 LYS A 111 9.259 -2.647 -15.558 1.00 1.02 H new ATOM 0 HZ1 LYS A 111 7.385 -3.298 -17.267 1.00 1.74 H new ATOM 0 HZ2 LYS A 111 7.030 -2.980 -15.637 1.00 1.74 H new ATOM 0 HZ3 LYS A 111 6.758 -1.786 -16.814 1.00 1.74 H new ATOM 1931 N ALA A 112 10.094 -0.773 -10.542 1.00 0.36 N ATOM 1932 CA ALA A 112 10.913 -1.305 -9.463 1.00 0.42 C ATOM 1933 C ALA A 112 10.169 -1.284 -8.130 1.00 0.43 C ATOM 1934 O ALA A 112 10.181 -2.270 -7.394 1.00 0.47 O ATOM 1935 CB ALA A 112 12.212 -0.520 -9.350 1.00 0.46 C ATOM 0 H ALA A 112 10.440 0.101 -10.938 1.00 0.36 H new ATOM 0 HA ALA A 112 11.141 -2.344 -9.702 1.00 0.42 H new ATOM 0 HB1 ALA A 112 12.815 -0.929 -8.539 1.00 0.46 H new ATOM 0 HB2 ALA A 112 12.765 -0.595 -10.286 1.00 0.46 H new ATOM 0 HB3 ALA A 112 11.988 0.527 -9.144 1.00 0.46 H new ATOM 1941 N SER A 113 9.526 -0.162 -7.821 1.00 0.41 N ATOM 1942 CA SER A 113 8.836 -0.010 -6.546 1.00 0.45 C ATOM 1943 C SER A 113 7.693 -1.009 -6.387 1.00 0.40 C ATOM 1944 O SER A 113 7.511 -1.579 -5.311 1.00 0.44 O ATOM 1945 CB SER A 113 8.322 1.420 -6.376 1.00 0.54 C ATOM 1946 OG SER A 113 7.603 1.856 -7.515 1.00 1.34 O ATOM 0 H SER A 113 9.469 0.652 -8.434 1.00 0.41 H new ATOM 0 HA SER A 113 9.563 -0.220 -5.762 1.00 0.45 H new ATOM 0 HB2 SER A 113 7.679 1.474 -5.497 1.00 0.54 H new ATOM 0 HB3 SER A 113 9.163 2.090 -6.198 1.00 0.54 H new ATOM 0 HG SER A 113 7.417 1.090 -8.097 1.00 1.34 H new ATOM 1952 N VAL A 114 6.939 -1.259 -7.456 1.00 0.36 N ATOM 1953 CA VAL A 114 5.804 -2.162 -7.370 1.00 0.36 C ATOM 1954 C VAL A 114 6.297 -3.606 -7.379 1.00 0.35 C ATOM 1955 O VAL A 114 5.628 -4.522 -6.907 1.00 0.37 O ATOM 1956 CB VAL A 114 4.812 -1.947 -8.535 1.00 0.36 C ATOM 1957 CG1 VAL A 114 4.423 -0.482 -8.658 1.00 0.65 C ATOM 1958 CG2 VAL A 114 5.388 -2.447 -9.844 1.00 0.56 C ATOM 0 H VAL A 114 7.094 -0.853 -8.379 1.00 0.36 H new ATOM 0 HA VAL A 114 5.278 -1.951 -6.439 1.00 0.36 H new ATOM 0 HB VAL A 114 3.915 -2.525 -8.312 1.00 0.36 H new ATOM 0 HG11 VAL A 114 3.724 -0.359 -9.486 1.00 0.65 H new ATOM 0 HG12 VAL A 114 3.951 -0.152 -7.733 1.00 0.65 H new ATOM 0 HG13 VAL A 114 5.315 0.117 -8.844 1.00 0.65 H new ATOM 0 HG21 VAL A 114 4.667 -2.282 -10.645 1.00 0.56 H new ATOM 0 HG22 VAL A 114 6.308 -1.907 -10.067 1.00 0.56 H new ATOM 0 HG23 VAL A 114 5.604 -3.512 -9.763 1.00 0.56 H new ATOM 1962 N LYS A 115 7.483 -3.790 -7.933 1.00 0.35 N ATOM 1963 CA LYS A 115 8.130 -5.078 -7.978 1.00 0.37 C ATOM 1964 C LYS A 115 8.524 -5.546 -6.586 1.00 0.35 C ATOM 1965 O LYS A 115 8.395 -6.724 -6.271 1.00 0.37 O ATOM 1966 CB LYS A 115 9.368 -4.991 -8.857 1.00 0.48 C ATOM 1967 CG LYS A 115 10.033 -6.327 -9.077 1.00 0.84 C ATOM 1968 CD LYS A 115 11.310 -6.191 -9.879 1.00 0.81 C ATOM 1969 CE LYS A 115 11.037 -5.748 -11.306 1.00 1.16 C ATOM 1970 NZ LYS A 115 12.273 -5.758 -12.131 1.00 1.72 N ATOM 0 H LYS A 115 8.023 -3.041 -8.366 1.00 0.35 H new ATOM 0 HA LYS A 115 7.427 -5.801 -8.393 1.00 0.37 H new ATOM 0 HB2 LYS A 115 9.092 -4.566 -9.822 1.00 0.48 H new ATOM 0 HB3 LYS A 115 10.083 -4.307 -8.400 1.00 0.48 H new ATOM 0 HG2 LYS A 115 10.255 -6.786 -8.114 1.00 0.84 H new ATOM 0 HG3 LYS A 115 9.346 -6.994 -9.597 1.00 0.84 H new ATOM 0 HD2 LYS A 115 11.968 -5.470 -9.394 1.00 0.81 H new ATOM 0 HD3 LYS A 115 11.836 -7.146 -9.889 1.00 0.81 H new ATOM 0 HE2 LYS A 115 10.294 -6.407 -11.756 1.00 1.16 H new ATOM 0 HE3 LYS A 115 10.611 -4.745 -11.300 1.00 1.16 H new ATOM 0 HZ1 LYS A 115 12.047 -5.450 -13.098 1.00 1.72 H new ATOM 0 HZ2 LYS A 115 12.973 -5.110 -11.716 1.00 1.72 H new ATOM 0 HZ3 LYS A 115 12.665 -6.721 -12.157 1.00 1.72 H new ATOM 1984 N GLU A 116 8.999 -4.633 -5.753 1.00 0.36 N ATOM 1985 CA GLU A 116 9.444 -5.011 -4.419 1.00 0.38 C ATOM 1986 C GLU A 116 8.257 -5.369 -3.535 1.00 0.37 C ATOM 1987 O GLU A 116 8.352 -6.269 -2.705 1.00 0.38 O ATOM 1988 CB GLU A 116 10.284 -3.909 -3.776 1.00 0.43 C ATOM 1989 CG GLU A 116 11.494 -3.508 -4.597 1.00 0.80 C ATOM 1990 CD GLU A 116 12.487 -4.640 -4.769 1.00 1.30 C ATOM 1991 OE1 GLU A 116 13.351 -4.822 -3.884 1.00 1.32 O ATOM 1992 OE2 GLU A 116 12.403 -5.357 -5.789 1.00 2.27 O ATOM 0 H GLU A 116 9.086 -3.640 -5.971 1.00 0.36 H new ATOM 0 HA GLU A 116 10.077 -5.893 -4.520 1.00 0.38 H new ATOM 0 HB2 GLU A 116 9.657 -3.032 -3.617 1.00 0.43 H new ATOM 0 HB3 GLU A 116 10.617 -4.244 -2.794 1.00 0.43 H new ATOM 0 HG2 GLU A 116 11.165 -3.167 -5.579 1.00 0.80 H new ATOM 0 HG3 GLU A 116 11.990 -2.665 -4.117 1.00 0.80 H new ATOM 1999 N VAL A 117 7.128 -4.699 -3.721 1.00 0.36 N ATOM 2000 CA VAL A 117 5.922 -5.071 -2.993 1.00 0.38 C ATOM 2001 C VAL A 117 5.456 -6.464 -3.431 1.00 0.38 C ATOM 2002 O VAL A 117 4.948 -7.240 -2.627 1.00 0.43 O ATOM 2003 CB VAL A 117 4.775 -4.040 -3.154 1.00 0.43 C ATOM 2004 CG1 VAL A 117 5.308 -2.624 -3.029 1.00 0.81 C ATOM 2005 CG2 VAL A 117 4.019 -4.221 -4.455 1.00 0.78 C ATOM 0 H VAL A 117 7.021 -3.909 -4.358 1.00 0.36 H new ATOM 0 HA VAL A 117 6.179 -5.085 -1.934 1.00 0.38 H new ATOM 0 HB VAL A 117 4.064 -4.218 -2.347 1.00 0.43 H new ATOM 0 HG11 VAL A 117 4.488 -1.915 -3.145 1.00 0.81 H new ATOM 0 HG12 VAL A 117 5.765 -2.493 -2.048 1.00 0.81 H new ATOM 0 HG13 VAL A 117 6.054 -2.446 -3.804 1.00 0.81 H new ATOM 0 HG21 VAL A 117 3.226 -3.476 -4.522 1.00 0.78 H new ATOM 0 HG22 VAL A 117 4.704 -4.098 -5.294 1.00 0.78 H new ATOM 0 HG23 VAL A 117 3.583 -5.219 -4.486 1.00 0.78 H new ATOM 2009 N LEU A 118 5.667 -6.795 -4.698 1.00 0.36 N ATOM 2010 CA LEU A 118 5.379 -8.139 -5.184 1.00 0.36 C ATOM 2011 C LEU A 118 6.411 -9.112 -4.644 1.00 0.36 C ATOM 2012 O LEU A 118 6.092 -10.259 -4.352 1.00 0.38 O ATOM 2013 CB LEU A 118 5.396 -8.194 -6.714 1.00 0.41 C ATOM 2014 CG LEU A 118 4.202 -7.571 -7.437 1.00 0.49 C ATOM 2015 CD1 LEU A 118 4.451 -7.589 -8.929 1.00 1.21 C ATOM 2016 CD2 LEU A 118 2.916 -8.320 -7.128 1.00 0.88 C ATOM 0 H LEU A 118 6.034 -6.157 -5.404 1.00 0.36 H new ATOM 0 HA LEU A 118 4.383 -8.413 -4.836 1.00 0.36 H new ATOM 0 HB2 LEU A 118 6.302 -7.697 -7.062 1.00 0.41 H new ATOM 0 HB3 LEU A 118 5.469 -9.239 -7.016 1.00 0.41 H new ATOM 0 HG LEU A 118 4.090 -6.544 -7.088 1.00 0.49 H new ATOM 0 HD11 LEU A 118 3.600 -7.145 -9.445 1.00 1.21 H new ATOM 0 HD12 LEU A 118 5.351 -7.017 -9.155 1.00 1.21 H new ATOM 0 HD13 LEU A 118 4.582 -8.618 -9.264 1.00 1.21 H new ATOM 0 HD21 LEU A 118 2.086 -7.852 -7.657 1.00 0.88 H new ATOM 0 HD22 LEU A 118 3.013 -9.357 -7.449 1.00 0.88 H new ATOM 0 HD23 LEU A 118 2.726 -8.289 -6.055 1.00 0.88 H new ATOM 2028 N LYS A 119 7.642 -8.635 -4.492 1.00 0.36 N ATOM 2029 CA LYS A 119 8.730 -9.445 -3.991 1.00 0.37 C ATOM 2030 C LYS A 119 8.347 -9.995 -2.635 1.00 0.36 C ATOM 2031 O LYS A 119 8.536 -11.176 -2.345 1.00 0.38 O ATOM 2032 CB LYS A 119 9.998 -8.594 -3.894 1.00 0.39 C ATOM 2033 CG LYS A 119 11.166 -9.316 -3.262 1.00 0.43 C ATOM 2034 CD LYS A 119 12.351 -8.386 -3.034 1.00 0.67 C ATOM 2035 CE LYS A 119 12.043 -7.330 -1.983 1.00 0.57 C ATOM 2036 NZ LYS A 119 13.185 -6.405 -1.767 1.00 0.95 N ATOM 0 H LYS A 119 7.906 -7.675 -4.715 1.00 0.36 H new ATOM 0 HA LYS A 119 8.925 -10.276 -4.668 1.00 0.37 H new ATOM 0 HB2 LYS A 119 10.283 -8.266 -4.894 1.00 0.39 H new ATOM 0 HB3 LYS A 119 9.780 -7.697 -3.314 1.00 0.39 H new ATOM 0 HG2 LYS A 119 10.855 -9.748 -2.311 1.00 0.43 H new ATOM 0 HG3 LYS A 119 11.471 -10.143 -3.903 1.00 0.43 H new ATOM 0 HD2 LYS A 119 13.217 -8.970 -2.721 1.00 0.67 H new ATOM 0 HD3 LYS A 119 12.617 -7.899 -3.972 1.00 0.67 H new ATOM 0 HE2 LYS A 119 11.167 -6.758 -2.290 1.00 0.57 H new ATOM 0 HE3 LYS A 119 11.790 -7.819 -1.042 1.00 0.57 H new ATOM 0 HZ1 LYS A 119 13.175 -6.065 -0.784 1.00 0.95 H new ATOM 0 HZ2 LYS A 119 14.077 -6.906 -1.951 1.00 0.95 H new ATOM 0 HZ3 LYS A 119 13.103 -5.595 -2.415 1.00 0.95 H new ATOM 2050 N LEU A 120 7.781 -9.121 -1.820 1.00 0.36 N ATOM 2051 CA LEU A 120 7.257 -9.508 -0.536 1.00 0.37 C ATOM 2052 C LEU A 120 5.994 -10.343 -0.679 1.00 0.36 C ATOM 2053 O LEU A 120 5.885 -11.403 -0.064 1.00 0.38 O ATOM 2054 CB LEU A 120 6.959 -8.277 0.319 1.00 0.39 C ATOM 2055 CG LEU A 120 8.170 -7.669 1.018 1.00 0.42 C ATOM 2056 CD1 LEU A 120 9.150 -7.093 0.021 1.00 1.06 C ATOM 2057 CD2 LEU A 120 7.731 -6.613 2.019 1.00 0.99 C ATOM 0 H LEU A 120 7.676 -8.130 -2.035 1.00 0.36 H new ATOM 0 HA LEU A 120 8.019 -10.113 -0.045 1.00 0.37 H new ATOM 0 HB2 LEU A 120 6.503 -7.515 -0.314 1.00 0.39 H new ATOM 0 HB3 LEU A 120 6.221 -8.548 1.074 1.00 0.39 H new ATOM 0 HG LEU A 120 8.682 -8.465 1.558 1.00 0.42 H new ATOM 0 HD11 LEU A 120 10.002 -6.668 0.552 1.00 1.06 H new ATOM 0 HD12 LEU A 120 9.496 -7.882 -0.647 1.00 1.06 H new ATOM 0 HD13 LEU A 120 8.660 -6.313 -0.562 1.00 1.06 H new ATOM 0 HD21 LEU A 120 8.608 -6.189 2.509 1.00 0.99 H new ATOM 0 HD22 LEU A 120 7.188 -5.823 1.500 1.00 0.99 H new ATOM 0 HD23 LEU A 120 7.082 -7.068 2.767 1.00 0.99 H new ATOM 2069 N TYR A 121 5.040 -9.889 -1.494 1.00 0.35 N ATOM 2070 CA TYR A 121 3.718 -10.494 -1.456 1.00 0.36 C ATOM 2071 C TYR A 121 3.728 -11.906 -2.054 1.00 0.38 C ATOM 2072 O TYR A 121 2.965 -12.773 -1.626 1.00 0.41 O ATOM 2073 CB TYR A 121 2.662 -9.585 -2.104 1.00 0.37 C ATOM 2074 CG TYR A 121 1.330 -10.256 -2.365 1.00 0.56 C ATOM 2075 CD1 TYR A 121 0.366 -10.347 -1.372 1.00 0.84 C ATOM 2076 CD2 TYR A 121 1.045 -10.811 -3.609 1.00 0.74 C ATOM 2077 CE1 TYR A 121 -0.843 -10.970 -1.605 1.00 1.13 C ATOM 2078 CE2 TYR A 121 -0.161 -11.441 -3.849 1.00 1.05 C ATOM 2079 CZ TYR A 121 -1.101 -11.517 -2.844 1.00 1.23 C ATOM 2080 OH TYR A 121 -2.296 -12.158 -3.076 1.00 1.54 O ATOM 0 H TYR A 121 5.155 -9.130 -2.165 1.00 0.35 H new ATOM 0 HA TYR A 121 3.433 -10.602 -0.410 1.00 0.36 H new ATOM 0 HB2 TYR A 121 2.499 -8.722 -1.459 1.00 0.37 H new ATOM 0 HB3 TYR A 121 3.056 -9.208 -3.048 1.00 0.37 H new ATOM 0 HD1 TYR A 121 0.565 -9.923 -0.399 1.00 0.84 H new ATOM 0 HD2 TYR A 121 1.778 -10.748 -4.399 1.00 0.74 H new ATOM 0 HE1 TYR A 121 -1.583 -11.029 -0.821 1.00 1.13 H new ATOM 0 HE2 TYR A 121 -0.366 -11.871 -4.818 1.00 1.05 H new ATOM 0 HH TYR A 121 -2.995 -11.494 -3.250 1.00 1.54 H new ATOM 2090 N LYS A 122 4.609 -12.134 -3.021 1.00 0.40 N ATOM 2091 CA LYS A 122 4.777 -13.458 -3.616 1.00 0.45 C ATOM 2092 C LYS A 122 5.353 -14.441 -2.598 1.00 0.43 C ATOM 2093 O LYS A 122 5.008 -15.621 -2.591 1.00 0.46 O ATOM 2094 CB LYS A 122 5.719 -13.390 -4.824 1.00 0.52 C ATOM 2095 CG LYS A 122 5.184 -12.599 -6.008 1.00 0.60 C ATOM 2096 CD LYS A 122 4.073 -13.341 -6.726 1.00 1.21 C ATOM 2097 CE LYS A 122 3.672 -12.628 -8.006 1.00 1.27 C ATOM 2098 NZ LYS A 122 2.664 -13.405 -8.775 1.00 1.98 N ATOM 0 H LYS A 122 5.221 -11.418 -3.412 1.00 0.40 H new ATOM 0 HA LYS A 122 3.794 -13.802 -3.937 1.00 0.45 H new ATOM 0 HB2 LYS A 122 6.663 -12.947 -4.506 1.00 0.52 H new ATOM 0 HB3 LYS A 122 5.938 -14.406 -5.153 1.00 0.52 H new ATOM 0 HG2 LYS A 122 4.812 -11.634 -5.662 1.00 0.60 H new ATOM 0 HG3 LYS A 122 5.996 -12.396 -6.706 1.00 0.60 H new ATOM 0 HD2 LYS A 122 4.400 -14.354 -6.959 1.00 1.21 H new ATOM 0 HD3 LYS A 122 3.207 -13.429 -6.069 1.00 1.21 H new ATOM 0 HE2 LYS A 122 3.267 -11.645 -7.764 1.00 1.27 H new ATOM 0 HE3 LYS A 122 4.555 -12.465 -8.624 1.00 1.27 H new ATOM 0 HZ1 LYS A 122 2.414 -12.888 -9.642 1.00 1.98 H new ATOM 0 HZ2 LYS A 122 3.060 -14.333 -9.027 1.00 1.98 H new ATOM 0 HZ3 LYS A 122 1.812 -13.539 -8.194 1.00 1.98 H new ATOM 2112 N ALA A 123 6.226 -13.937 -1.735 1.00 0.42 N ATOM 2113 CA ALA A 123 6.975 -14.780 -0.811 1.00 0.43 C ATOM 2114 C ALA A 123 6.241 -15.014 0.507 1.00 0.43 C ATOM 2115 O ALA A 123 6.661 -15.853 1.308 1.00 0.70 O ATOM 2116 CB ALA A 123 8.336 -14.156 -0.539 1.00 0.49 C ATOM 0 H ALA A 123 6.434 -12.942 -1.656 1.00 0.42 H new ATOM 0 HA ALA A 123 7.092 -15.754 -1.287 1.00 0.43 H new ATOM 0 HB1 ALA A 123 8.894 -14.788 0.152 1.00 0.49 H new ATOM 0 HB2 ALA A 123 8.888 -14.065 -1.474 1.00 0.49 H new ATOM 0 HB3 ALA A 123 8.202 -13.168 -0.099 1.00 0.49 H new ATOM 2122 N MET A 124 5.157 -14.288 0.744 1.00 0.44 N ATOM 2123 CA MET A 124 4.443 -14.401 2.013 1.00 0.42 C ATOM 2124 C MET A 124 3.706 -15.729 2.128 1.00 0.42 C ATOM 2125 O MET A 124 3.400 -16.365 1.117 1.00 0.42 O ATOM 2126 CB MET A 124 3.451 -13.248 2.192 1.00 0.41 C ATOM 2127 CG MET A 124 4.104 -11.934 2.586 1.00 0.45 C ATOM 2128 SD MET A 124 2.928 -10.756 3.279 1.00 0.50 S ATOM 2129 CE MET A 124 1.747 -10.612 1.942 1.00 0.46 C ATOM 0 H MET A 124 4.755 -13.622 0.085 1.00 0.44 H new ATOM 0 HA MET A 124 5.193 -14.352 2.802 1.00 0.42 H new ATOM 0 HB2 MET A 124 2.902 -13.106 1.261 1.00 0.41 H new ATOM 0 HB3 MET A 124 2.721 -13.523 2.954 1.00 0.41 H new ATOM 0 HG2 MET A 124 4.891 -12.128 3.315 1.00 0.45 H new ATOM 0 HG3 MET A 124 4.582 -11.493 1.711 1.00 0.45 H new ATOM 0 HE1 MET A 124 0.780 -10.305 2.342 1.00 0.46 H new ATOM 0 HE2 MET A 124 2.096 -9.868 1.226 1.00 0.46 H new ATOM 0 HE3 MET A 124 1.644 -11.575 1.442 1.00 0.46 H new ATOM 2139 N SER A 125 3.446 -16.147 3.365 1.00 0.47 N ATOM 2140 CA SER A 125 2.633 -17.329 3.629 1.00 0.54 C ATOM 2141 C SER A 125 1.297 -17.220 2.904 1.00 0.58 C ATOM 2142 O SER A 125 0.727 -16.132 2.838 1.00 0.92 O ATOM 2143 CB SER A 125 2.403 -17.480 5.138 1.00 0.62 C ATOM 2144 OG SER A 125 1.623 -18.624 5.434 1.00 1.18 O ATOM 0 H SER A 125 3.790 -15.680 4.204 1.00 0.47 H new ATOM 0 HA SER A 125 3.160 -18.209 3.261 1.00 0.54 H new ATOM 0 HB2 SER A 125 3.364 -17.552 5.648 1.00 0.62 H new ATOM 0 HB3 SER A 125 1.905 -16.590 5.522 1.00 0.62 H new ATOM 0 HG SER A 125 1.497 -18.692 6.403 1.00 1.18 H new ATOM 2150 N ASP A 126 0.800 -18.326 2.357 1.00 0.44 N ATOM 2151 CA ASP A 126 -0.425 -18.290 1.559 1.00 0.43 C ATOM 2152 C ASP A 126 -1.585 -17.716 2.367 1.00 0.39 C ATOM 2153 O ASP A 126 -2.280 -16.801 1.914 1.00 0.38 O ATOM 2154 CB ASP A 126 -0.777 -19.684 1.038 1.00 0.47 C ATOM 2155 CG ASP A 126 -2.060 -19.698 0.234 1.00 1.37 C ATOM 2156 OD1 ASP A 126 -2.016 -19.388 -0.976 1.00 2.21 O ATOM 2157 OD2 ASP A 126 -3.122 -20.028 0.805 1.00 1.81 O ATOM 0 H ASP A 126 1.221 -19.251 2.449 1.00 0.44 H new ATOM 0 HA ASP A 126 -0.247 -17.638 0.704 1.00 0.43 H new ATOM 0 HB2 ASP A 126 0.040 -20.053 0.418 1.00 0.47 H new ATOM 0 HB3 ASP A 126 -0.873 -20.369 1.880 1.00 0.47 H new ATOM 2162 N ALA A 127 -1.762 -18.230 3.575 1.00 0.38 N ATOM 2163 CA ALA A 127 -2.801 -17.743 4.472 1.00 0.37 C ATOM 2164 C ALA A 127 -2.581 -16.271 4.808 1.00 0.33 C ATOM 2165 O ALA A 127 -3.536 -15.505 4.954 1.00 0.34 O ATOM 2166 CB ALA A 127 -2.820 -18.571 5.746 1.00 0.42 C ATOM 0 H ALA A 127 -1.197 -18.988 3.959 1.00 0.38 H new ATOM 0 HA ALA A 127 -3.763 -17.840 3.968 1.00 0.37 H new ATOM 0 HB1 ALA A 127 -3.600 -18.199 6.410 1.00 0.42 H new ATOM 0 HB2 ALA A 127 -3.020 -19.614 5.499 1.00 0.42 H new ATOM 0 HB3 ALA A 127 -1.853 -18.495 6.244 1.00 0.42 H new ATOM 2172 N GLY A 128 -1.316 -15.885 4.905 1.00 0.31 N ATOM 2173 CA GLY A 128 -0.973 -14.522 5.261 1.00 0.31 C ATOM 2174 C GLY A 128 -1.234 -13.542 4.134 1.00 0.29 C ATOM 2175 O GLY A 128 -1.807 -12.476 4.350 1.00 0.30 O ATOM 0 H GLY A 128 -0.516 -16.496 4.742 1.00 0.31 H new ATOM 0 HA2 GLY A 128 -1.548 -14.224 6.138 1.00 0.31 H new ATOM 0 HA3 GLY A 128 0.080 -14.477 5.540 1.00 0.31 H new ATOM 2179 N LYS A 129 -0.840 -13.911 2.923 1.00 0.32 N ATOM 2180 CA LYS A 129 -0.988 -13.018 1.783 1.00 0.39 C ATOM 2181 C LYS A 129 -2.456 -12.877 1.388 1.00 0.35 C ATOM 2182 O LYS A 129 -2.875 -11.845 0.864 1.00 0.36 O ATOM 2183 CB LYS A 129 -0.134 -13.501 0.601 1.00 0.56 C ATOM 2184 CG LYS A 129 -0.389 -14.940 0.194 1.00 0.58 C ATOM 2185 CD LYS A 129 0.612 -15.420 -0.849 1.00 0.59 C ATOM 2186 CE LYS A 129 0.467 -14.677 -2.168 1.00 0.94 C ATOM 2187 NZ LYS A 129 -0.850 -14.928 -2.807 1.00 1.32 N ATOM 0 H LYS A 129 -0.419 -14.814 2.706 1.00 0.32 H new ATOM 0 HA LYS A 129 -0.629 -12.030 2.073 1.00 0.39 H new ATOM 0 HB2 LYS A 129 -0.322 -12.854 -0.256 1.00 0.56 H new ATOM 0 HB3 LYS A 129 0.919 -13.390 0.859 1.00 0.56 H new ATOM 0 HG2 LYS A 129 -0.333 -15.582 1.073 1.00 0.58 H new ATOM 0 HG3 LYS A 129 -1.400 -15.031 -0.204 1.00 0.58 H new ATOM 0 HD2 LYS A 129 1.624 -15.286 -0.468 1.00 0.59 H new ATOM 0 HD3 LYS A 129 0.474 -16.488 -1.018 1.00 0.59 H new ATOM 0 HE2 LYS A 129 0.589 -13.607 -1.997 1.00 0.94 H new ATOM 0 HE3 LYS A 129 1.263 -14.984 -2.846 1.00 0.94 H new ATOM 0 HZ1 LYS A 129 -0.705 -15.283 -3.774 1.00 1.32 H new ATOM 0 HZ2 LYS A 129 -1.375 -15.635 -2.254 1.00 1.32 H new ATOM 0 HZ3 LYS A 129 -1.394 -14.042 -2.841 1.00 1.32 H new ATOM 2201 N ALA A 130 -3.237 -13.920 1.646 1.00 0.35 N ATOM 2202 CA ALA A 130 -4.675 -13.870 1.419 1.00 0.37 C ATOM 2203 C ALA A 130 -5.361 -13.000 2.461 1.00 0.33 C ATOM 2204 O ALA A 130 -6.358 -12.340 2.174 1.00 0.38 O ATOM 2205 CB ALA A 130 -5.261 -15.268 1.440 1.00 0.42 C ATOM 0 H ALA A 130 -2.898 -14.810 2.012 1.00 0.35 H new ATOM 0 HA ALA A 130 -4.847 -13.428 0.437 1.00 0.37 H new ATOM 0 HB1 ALA A 130 -6.336 -15.214 1.269 1.00 0.42 H new ATOM 0 HB2 ALA A 130 -4.798 -15.868 0.657 1.00 0.42 H new ATOM 0 HB3 ALA A 130 -5.070 -15.728 2.410 1.00 0.42 H new ATOM 2211 N ASP A 131 -4.812 -12.991 3.671 1.00 0.29 N ATOM 2212 CA ASP A 131 -5.366 -12.199 4.764 1.00 0.29 C ATOM 2213 C ASP A 131 -5.198 -10.716 4.460 1.00 0.27 C ATOM 2214 O ASP A 131 -6.006 -9.883 4.872 1.00 0.30 O ATOM 2215 CB ASP A 131 -4.683 -12.576 6.082 1.00 0.30 C ATOM 2216 CG ASP A 131 -5.378 -12.016 7.305 1.00 0.40 C ATOM 2217 OD1 ASP A 131 -6.514 -12.453 7.597 1.00 0.55 O ATOM 2218 OD2 ASP A 131 -4.784 -11.164 7.997 1.00 0.45 O ATOM 0 H ASP A 131 -3.980 -13.526 3.921 1.00 0.29 H new ATOM 0 HA ASP A 131 -6.431 -12.409 4.864 1.00 0.29 H new ATOM 0 HB2 ASP A 131 -4.642 -13.662 6.163 1.00 0.30 H new ATOM 0 HB3 ASP A 131 -3.653 -12.219 6.064 1.00 0.30 H new ATOM 2223 N PHE A 132 -4.165 -10.411 3.683 1.00 0.24 N ATOM 2224 CA PHE A 132 -3.922 -9.060 3.193 1.00 0.22 C ATOM 2225 C PHE A 132 -5.085 -8.589 2.321 1.00 0.23 C ATOM 2226 O PHE A 132 -5.346 -7.395 2.217 1.00 0.25 O ATOM 2227 CB PHE A 132 -2.606 -9.029 2.403 1.00 0.23 C ATOM 2228 CG PHE A 132 -2.251 -7.681 1.840 1.00 0.24 C ATOM 2229 CD1 PHE A 132 -1.661 -6.714 2.641 1.00 0.33 C ATOM 2230 CD2 PHE A 132 -2.509 -7.379 0.513 1.00 0.26 C ATOM 2231 CE1 PHE A 132 -1.335 -5.475 2.128 1.00 0.39 C ATOM 2232 CE2 PHE A 132 -2.184 -6.140 -0.004 1.00 0.30 C ATOM 2233 CZ PHE A 132 -1.589 -5.191 0.797 1.00 0.36 C ATOM 0 H PHE A 132 -3.472 -11.094 3.375 1.00 0.24 H new ATOM 0 HA PHE A 132 -3.842 -8.381 4.042 1.00 0.22 H new ATOM 0 HB2 PHE A 132 -1.798 -9.362 3.054 1.00 0.23 H new ATOM 0 HB3 PHE A 132 -2.671 -9.746 1.584 1.00 0.23 H new ATOM 0 HD1 PHE A 132 -1.454 -6.933 3.678 1.00 0.33 H new ATOM 0 HD2 PHE A 132 -2.969 -8.120 -0.124 1.00 0.26 H new ATOM 0 HE1 PHE A 132 -0.883 -4.728 2.764 1.00 0.39 H new ATOM 0 HE2 PHE A 132 -2.397 -5.915 -1.039 1.00 0.30 H new ATOM 0 HZ PHE A 132 -1.321 -4.228 0.388 1.00 0.36 H new ATOM 2243 N GLY A 133 -5.804 -9.536 1.730 1.00 0.22 N ATOM 2244 CA GLY A 133 -6.892 -9.195 0.836 1.00 0.24 C ATOM 2245 C GLY A 133 -8.130 -8.706 1.557 1.00 0.23 C ATOM 2246 O GLY A 133 -9.047 -8.170 0.935 1.00 0.27 O ATOM 0 H GLY A 133 -5.651 -10.537 1.855 1.00 0.22 H new ATOM 0 HA2 GLY A 133 -6.555 -8.424 0.143 1.00 0.24 H new ATOM 0 HA3 GLY A 133 -7.150 -10.070 0.239 1.00 0.24 H new ATOM 2250 N LYS A 134 -8.165 -8.889 2.865 1.00 0.27 N ATOM 2251 CA LYS A 134 -9.321 -8.494 3.650 1.00 0.29 C ATOM 2252 C LYS A 134 -9.154 -7.062 4.139 1.00 0.30 C ATOM 2253 O LYS A 134 -10.053 -6.231 4.011 1.00 0.39 O ATOM 2254 CB LYS A 134 -9.478 -9.441 4.838 1.00 0.34 C ATOM 2255 CG LYS A 134 -9.417 -10.906 4.451 1.00 0.63 C ATOM 2256 CD LYS A 134 -9.137 -11.779 5.658 1.00 1.29 C ATOM 2257 CE LYS A 134 -8.870 -13.213 5.249 1.00 1.61 C ATOM 2258 NZ LYS A 134 -8.365 -14.027 6.384 1.00 2.43 N ATOM 0 H LYS A 134 -7.408 -9.308 3.405 1.00 0.27 H new ATOM 0 HA LYS A 134 -10.215 -8.548 3.028 1.00 0.29 H new ATOM 0 HB2 LYS A 134 -8.694 -9.232 5.566 1.00 0.34 H new ATOM 0 HB3 LYS A 134 -10.431 -9.242 5.329 1.00 0.34 H new ATOM 0 HG2 LYS A 134 -10.361 -11.204 3.994 1.00 0.63 H new ATOM 0 HG3 LYS A 134 -8.639 -11.055 3.702 1.00 0.63 H new ATOM 0 HD2 LYS A 134 -8.277 -11.387 6.201 1.00 1.29 H new ATOM 0 HD3 LYS A 134 -9.987 -11.745 6.339 1.00 1.29 H new ATOM 0 HE2 LYS A 134 -9.787 -13.657 4.863 1.00 1.61 H new ATOM 0 HE3 LYS A 134 -8.142 -13.230 4.438 1.00 1.61 H new ATOM 0 HZ1 LYS A 134 -8.195 -15.002 6.063 1.00 2.43 H new ATOM 0 HZ2 LYS A 134 -7.476 -13.618 6.736 1.00 2.43 H new ATOM 0 HZ3 LYS A 134 -9.070 -14.032 7.148 1.00 2.43 H new ATOM 2272 N GLN A 135 -7.984 -6.791 4.694 1.00 0.30 N ATOM 2273 CA GLN A 135 -7.651 -5.468 5.213 1.00 0.31 C ATOM 2274 C GLN A 135 -7.244 -4.529 4.079 1.00 0.30 C ATOM 2275 O GLN A 135 -7.501 -3.328 4.140 1.00 0.36 O ATOM 2276 CB GLN A 135 -6.535 -5.574 6.262 1.00 0.33 C ATOM 2277 CG GLN A 135 -6.987 -6.154 7.604 1.00 0.51 C ATOM 2278 CD GLN A 135 -7.756 -7.458 7.507 1.00 0.71 C ATOM 2279 OE1 GLN A 135 -7.172 -8.536 7.479 1.00 1.83 O ATOM 2280 NE2 GLN A 135 -9.077 -7.365 7.488 1.00 0.75 N ATOM 0 H GLN A 135 -7.238 -7.478 4.799 1.00 0.30 H new ATOM 0 HA GLN A 135 -8.536 -5.051 5.693 1.00 0.31 H new ATOM 0 HB2 GLN A 135 -5.734 -6.195 5.862 1.00 0.33 H new ATOM 0 HB3 GLN A 135 -6.115 -4.582 6.431 1.00 0.33 H new ATOM 0 HG2 GLN A 135 -6.109 -6.312 8.230 1.00 0.51 H new ATOM 0 HG3 GLN A 135 -7.611 -5.417 8.111 1.00 0.51 H new ATOM 0 HE21 GLN A 135 -9.524 -6.449 7.513 1.00 0.75 H new ATOM 0 HE22 GLN A 135 -9.647 -8.210 7.449 1.00 0.75 H new ATOM 2289 N PHE A 136 -6.631 -5.078 3.039 1.00 0.26 N ATOM 2290 CA PHE A 136 -6.273 -4.300 1.854 1.00 0.26 C ATOM 2291 C PHE A 136 -6.862 -4.931 0.594 1.00 0.23 C ATOM 2292 O PHE A 136 -6.142 -5.531 -0.207 1.00 0.24 O ATOM 2293 CB PHE A 136 -4.757 -4.190 1.715 1.00 0.31 C ATOM 2294 CG PHE A 136 -4.173 -2.953 2.334 1.00 0.34 C ATOM 2295 CD1 PHE A 136 -4.234 -1.746 1.659 1.00 0.57 C ATOM 2296 CD2 PHE A 136 -3.554 -2.994 3.574 1.00 0.27 C ATOM 2297 CE1 PHE A 136 -3.692 -0.604 2.207 1.00 0.69 C ATOM 2298 CE2 PHE A 136 -3.010 -1.854 4.123 1.00 0.37 C ATOM 2299 CZ PHE A 136 -3.080 -0.658 3.438 1.00 0.58 C ATOM 0 H PHE A 136 -6.369 -6.063 2.989 1.00 0.26 H new ATOM 0 HA PHE A 136 -6.689 -3.300 1.975 1.00 0.26 H new ATOM 0 HB2 PHE A 136 -4.296 -5.065 2.174 1.00 0.31 H new ATOM 0 HB3 PHE A 136 -4.497 -4.211 0.657 1.00 0.31 H new ATOM 0 HD1 PHE A 136 -4.712 -1.699 0.692 1.00 0.57 H new ATOM 0 HD2 PHE A 136 -3.498 -3.928 4.114 1.00 0.27 H new ATOM 0 HE1 PHE A 136 -3.747 0.332 1.671 1.00 0.69 H new ATOM 0 HE2 PHE A 136 -2.529 -1.896 5.089 1.00 0.37 H new ATOM 0 HZ PHE A 136 -2.654 0.236 3.869 1.00 0.58 H new ATOM 2309 N PRO A 137 -8.179 -4.782 0.389 1.00 0.26 N ATOM 2310 CA PRO A 137 -8.890 -5.421 -0.721 1.00 0.30 C ATOM 2311 C PRO A 137 -8.497 -4.857 -2.082 1.00 0.29 C ATOM 2312 O PRO A 137 -8.462 -5.584 -3.076 1.00 0.30 O ATOM 2313 CB PRO A 137 -10.372 -5.123 -0.433 1.00 0.38 C ATOM 2314 CG PRO A 137 -10.414 -4.621 0.971 1.00 0.63 C ATOM 2315 CD PRO A 137 -9.085 -3.978 1.217 1.00 0.34 C ATOM 0 HA PRO A 137 -8.656 -6.484 -0.777 1.00 0.30 H new ATOM 0 HB2 PRO A 137 -10.765 -4.380 -1.127 1.00 0.38 H new ATOM 0 HB3 PRO A 137 -10.982 -6.019 -0.547 1.00 0.38 H new ATOM 0 HG2 PRO A 137 -11.225 -3.905 1.106 1.00 0.63 H new ATOM 0 HG3 PRO A 137 -10.589 -5.437 1.672 1.00 0.63 H new ATOM 0 HD2 PRO A 137 -9.081 -2.929 0.920 1.00 0.34 H new ATOM 0 HD3 PRO A 137 -8.808 -4.012 2.271 1.00 0.34 H new ATOM 2323 N PHE A 138 -8.199 -3.564 -2.131 1.00 0.32 N ATOM 2324 CA PHE A 138 -7.888 -2.906 -3.395 1.00 0.36 C ATOM 2325 C PHE A 138 -6.501 -3.303 -3.882 1.00 0.35 C ATOM 2326 O PHE A 138 -6.304 -3.572 -5.065 1.00 0.36 O ATOM 2327 CB PHE A 138 -7.982 -1.386 -3.254 1.00 0.43 C ATOM 2328 CG PHE A 138 -7.991 -0.654 -4.568 1.00 0.86 C ATOM 2329 CD1 PHE A 138 -9.188 -0.382 -5.211 1.00 1.21 C ATOM 2330 CD2 PHE A 138 -6.808 -0.235 -5.156 1.00 1.56 C ATOM 2331 CE1 PHE A 138 -9.204 0.295 -6.417 1.00 1.88 C ATOM 2332 CE2 PHE A 138 -6.820 0.441 -6.361 1.00 2.23 C ATOM 2333 CZ PHE A 138 -8.018 0.707 -6.991 1.00 2.31 C ATOM 0 H PHE A 138 -8.166 -2.953 -1.315 1.00 0.32 H new ATOM 0 HA PHE A 138 -8.622 -3.231 -4.132 1.00 0.36 H new ATOM 0 HB2 PHE A 138 -8.889 -1.137 -2.704 1.00 0.43 H new ATOM 0 HB3 PHE A 138 -7.141 -1.033 -2.658 1.00 0.43 H new ATOM 0 HD1 PHE A 138 -10.118 -0.702 -4.766 1.00 1.21 H new ATOM 0 HD2 PHE A 138 -5.867 -0.439 -4.667 1.00 1.56 H new ATOM 0 HE1 PHE A 138 -10.143 0.501 -6.909 1.00 1.88 H new ATOM 0 HE2 PHE A 138 -5.891 0.761 -6.810 1.00 2.23 H new ATOM 0 HZ PHE A 138 -8.028 1.237 -7.932 1.00 2.31 H new ATOM 2343 N LEU A 139 -5.542 -3.350 -2.966 1.00 0.35 N ATOM 2344 CA LEU A 139 -4.184 -3.735 -3.323 1.00 0.36 C ATOM 2345 C LEU A 139 -4.116 -5.222 -3.650 1.00 0.33 C ATOM 2346 O LEU A 139 -3.510 -5.609 -4.645 1.00 0.35 O ATOM 2347 CB LEU A 139 -3.189 -3.390 -2.209 1.00 0.40 C ATOM 2348 CG LEU A 139 -2.909 -1.900 -2.006 1.00 0.48 C ATOM 2349 CD1 LEU A 139 -1.894 -1.699 -0.891 1.00 1.02 C ATOM 2350 CD2 LEU A 139 -2.404 -1.271 -3.293 1.00 0.86 C ATOM 0 H LEU A 139 -5.678 -3.129 -1.980 1.00 0.35 H new ATOM 0 HA LEU A 139 -3.904 -3.166 -4.210 1.00 0.36 H new ATOM 0 HB2 LEU A 139 -3.565 -3.801 -1.272 1.00 0.40 H new ATOM 0 HB3 LEU A 139 -2.245 -3.892 -2.422 1.00 0.40 H new ATOM 0 HG LEU A 139 -3.842 -1.411 -1.724 1.00 0.48 H new ATOM 0 HD11 LEU A 139 -1.705 -0.634 -0.759 1.00 1.02 H new ATOM 0 HD12 LEU A 139 -2.285 -2.116 0.037 1.00 1.02 H new ATOM 0 HD13 LEU A 139 -0.963 -2.203 -1.151 1.00 1.02 H new ATOM 0 HD21 LEU A 139 -2.211 -0.211 -3.128 1.00 0.86 H new ATOM 0 HD22 LEU A 139 -1.482 -1.764 -3.602 1.00 0.86 H new ATOM 0 HD23 LEU A 139 -3.156 -1.386 -4.074 1.00 0.86 H new ATOM 2362 N ALA A 140 -4.759 -6.049 -2.832 1.00 0.30 N ATOM 2363 CA ALA A 140 -4.775 -7.489 -3.077 1.00 0.28 C ATOM 2364 C ALA A 140 -5.395 -7.783 -4.437 1.00 0.28 C ATOM 2365 O ALA A 140 -4.927 -8.651 -5.167 1.00 0.35 O ATOM 2366 CB ALA A 140 -5.527 -8.210 -1.978 1.00 0.25 C ATOM 0 H ALA A 140 -5.271 -5.752 -2.001 1.00 0.30 H new ATOM 0 HA ALA A 140 -3.748 -7.853 -3.078 1.00 0.28 H new ATOM 0 HB1 ALA A 140 -5.527 -9.281 -2.180 1.00 0.25 H new ATOM 0 HB2 ALA A 140 -5.042 -8.021 -1.021 1.00 0.25 H new ATOM 0 HB3 ALA A 140 -6.554 -7.847 -1.942 1.00 0.25 H new ATOM 2372 N LYS A 141 -6.442 -7.032 -4.758 1.00 0.26 N ATOM 2373 CA LYS A 141 -7.067 -7.065 -6.075 1.00 0.27 C ATOM 2374 C LYS A 141 -6.023 -7.013 -7.191 1.00 0.29 C ATOM 2375 O LYS A 141 -5.859 -7.962 -7.962 1.00 0.30 O ATOM 2376 CB LYS A 141 -7.993 -5.855 -6.218 1.00 0.28 C ATOM 2377 CG LYS A 141 -8.899 -5.934 -7.433 1.00 0.36 C ATOM 2378 CD LYS A 141 -9.794 -4.713 -7.555 1.00 1.15 C ATOM 2379 CE LYS A 141 -10.817 -4.886 -8.666 1.00 1.76 C ATOM 2380 NZ LYS A 141 -10.178 -5.148 -9.981 1.00 2.58 N ATOM 0 H LYS A 141 -6.883 -6.380 -4.109 1.00 0.26 H new ATOM 0 HA LYS A 141 -7.624 -7.998 -6.163 1.00 0.27 H new ATOM 0 HB2 LYS A 141 -8.606 -5.767 -5.321 1.00 0.28 H new ATOM 0 HB3 LYS A 141 -7.389 -4.950 -6.281 1.00 0.28 H new ATOM 0 HG2 LYS A 141 -8.291 -6.030 -8.333 1.00 0.36 H new ATOM 0 HG3 LYS A 141 -9.516 -6.831 -7.368 1.00 0.36 H new ATOM 0 HD2 LYS A 141 -10.307 -4.540 -6.609 1.00 1.15 H new ATOM 0 HD3 LYS A 141 -9.185 -3.831 -7.753 1.00 1.15 H new ATOM 0 HE2 LYS A 141 -11.485 -5.711 -8.418 1.00 1.76 H new ATOM 0 HE3 LYS A 141 -11.431 -3.988 -8.735 1.00 1.76 H new ATOM 0 HZ1 LYS A 141 -10.895 -5.091 -10.733 1.00 2.58 H new ATOM 0 HZ2 LYS A 141 -9.437 -4.439 -10.154 1.00 2.58 H new ATOM 0 HZ3 LYS A 141 -9.754 -6.098 -9.978 1.00 2.58 H new ATOM 2394 N VAL A 142 -5.329 -5.880 -7.271 1.00 0.31 N ATOM 2395 CA VAL A 142 -4.363 -5.628 -8.327 1.00 0.36 C ATOM 2396 C VAL A 142 -3.117 -6.503 -8.213 1.00 0.37 C ATOM 2397 O VAL A 142 -2.369 -6.645 -9.183 1.00 0.44 O ATOM 2398 CB VAL A 142 -3.956 -4.143 -8.344 1.00 0.40 C ATOM 2399 CG1 VAL A 142 -5.167 -3.265 -8.096 1.00 0.50 C ATOM 2400 CG2 VAL A 142 -2.876 -3.854 -7.329 1.00 0.48 C ATOM 0 H VAL A 142 -5.423 -5.114 -6.604 1.00 0.31 H new ATOM 0 HA VAL A 142 -4.856 -5.886 -9.264 1.00 0.36 H new ATOM 0 HB VAL A 142 -3.551 -3.917 -9.330 1.00 0.40 H new ATOM 0 HG11 VAL A 142 -4.866 -2.217 -8.110 1.00 0.50 H new ATOM 0 HG12 VAL A 142 -5.909 -3.440 -8.875 1.00 0.50 H new ATOM 0 HG13 VAL A 142 -5.598 -3.505 -7.124 1.00 0.50 H new ATOM 0 HG21 VAL A 142 -2.613 -2.797 -7.368 1.00 0.48 H new ATOM 0 HG22 VAL A 142 -3.239 -4.101 -6.331 1.00 0.48 H new ATOM 0 HG23 VAL A 142 -1.995 -4.456 -7.554 1.00 0.48 H new ATOM 2404 N PHE A 143 -2.880 -7.069 -7.036 1.00 0.33 N ATOM 2405 CA PHE A 143 -1.726 -7.949 -6.865 1.00 0.36 C ATOM 2406 C PHE A 143 -2.033 -9.354 -7.370 1.00 0.40 C ATOM 2407 O PHE A 143 -1.194 -9.980 -8.015 1.00 0.47 O ATOM 2408 CB PHE A 143 -1.249 -8.014 -5.407 1.00 0.36 C ATOM 2409 CG PHE A 143 -0.650 -6.739 -4.878 1.00 0.34 C ATOM 2410 CD1 PHE A 143 0.057 -5.896 -5.721 1.00 0.47 C ATOM 2411 CD2 PHE A 143 -0.791 -6.380 -3.547 1.00 0.58 C ATOM 2412 CE1 PHE A 143 0.614 -4.725 -5.246 1.00 0.47 C ATOM 2413 CE2 PHE A 143 -0.236 -5.209 -3.069 1.00 0.62 C ATOM 2414 CZ PHE A 143 0.447 -4.385 -3.884 1.00 0.39 C ATOM 0 H PHE A 143 -3.454 -6.941 -6.203 1.00 0.33 H new ATOM 0 HA PHE A 143 -0.919 -7.520 -7.459 1.00 0.36 H new ATOM 0 HB2 PHE A 143 -2.094 -8.291 -4.776 1.00 0.36 H new ATOM 0 HB3 PHE A 143 -0.510 -8.810 -5.317 1.00 0.36 H new ATOM 0 HD1 PHE A 143 0.174 -6.158 -6.762 1.00 0.47 H new ATOM 0 HD2 PHE A 143 -1.341 -7.023 -2.876 1.00 0.58 H new ATOM 0 HE1 PHE A 143 1.170 -4.077 -5.907 1.00 0.47 H new ATOM 0 HE2 PHE A 143 -0.352 -4.951 -2.027 1.00 0.62 H new ATOM 0 HZ PHE A 143 0.866 -3.467 -3.499 1.00 0.39 H new ATOM 2424 N GLU A 144 -3.231 -9.851 -7.068 1.00 0.41 N ATOM 2425 CA GLU A 144 -3.621 -11.191 -7.494 1.00 0.45 C ATOM 2426 C GLU A 144 -3.834 -11.233 -8.997 1.00 0.45 C ATOM 2427 O GLU A 144 -3.482 -12.210 -9.664 1.00 0.54 O ATOM 2428 CB GLU A 144 -4.898 -11.648 -6.791 1.00 0.47 C ATOM 2429 CG GLU A 144 -4.758 -11.798 -5.290 1.00 0.60 C ATOM 2430 CD GLU A 144 -6.015 -12.350 -4.656 1.00 1.55 C ATOM 2431 OE1 GLU A 144 -6.959 -11.571 -4.424 1.00 2.58 O ATOM 2432 OE2 GLU A 144 -6.063 -13.564 -4.382 1.00 1.55 O ATOM 0 H GLU A 144 -3.942 -9.350 -6.535 1.00 0.41 H new ATOM 0 HA GLU A 144 -2.810 -11.867 -7.222 1.00 0.45 H new ATOM 0 HB2 GLU A 144 -5.692 -10.931 -7.001 1.00 0.47 H new ATOM 0 HB3 GLU A 144 -5.211 -12.603 -7.213 1.00 0.47 H new ATOM 0 HG2 GLU A 144 -3.920 -12.459 -5.068 1.00 0.60 H new ATOM 0 HG3 GLU A 144 -4.525 -10.829 -4.849 1.00 0.60 H new ATOM 2439 N SER A 145 -4.423 -10.173 -9.520 1.00 0.43 N ATOM 2440 CA SER A 145 -4.650 -10.055 -10.943 1.00 0.49 C ATOM 2441 C SER A 145 -3.391 -9.516 -11.611 1.00 0.57 C ATOM 2442 O SER A 145 -2.519 -8.952 -10.948 1.00 1.32 O ATOM 2443 CB SER A 145 -5.836 -9.124 -11.204 1.00 0.50 C ATOM 2444 OG SER A 145 -6.223 -9.153 -12.566 1.00 1.29 O ATOM 0 H SER A 145 -4.754 -9.378 -8.973 1.00 0.43 H new ATOM 0 HA SER A 145 -4.882 -11.035 -11.361 1.00 0.49 H new ATOM 0 HB2 SER A 145 -6.678 -9.420 -10.578 1.00 0.50 H new ATOM 0 HB3 SER A 145 -5.571 -8.105 -10.921 1.00 0.50 H new ATOM 0 HG SER A 145 -6.984 -8.550 -12.703 1.00 1.29 H new ATOM 2450 N GLY A 146 -3.293 -9.698 -12.918 1.00 0.79 N ATOM 2451 CA GLY A 146 -2.125 -9.245 -13.639 1.00 0.78 C ATOM 2452 C GLY A 146 -2.136 -7.751 -13.889 1.00 0.70 C ATOM 2453 O GLY A 146 -2.081 -7.307 -15.036 1.00 1.09 O ATOM 0 H GLY A 146 -4.003 -10.152 -13.493 1.00 0.79 H new ATOM 0 HA2 GLY A 146 -1.230 -9.508 -13.075 1.00 0.78 H new ATOM 0 HA3 GLY A 146 -2.066 -9.769 -14.593 1.00 0.78 H new ATOM 2457 N LYS A 147 -2.218 -6.978 -12.818 1.00 0.54 N ATOM 2458 CA LYS A 147 -2.148 -5.531 -12.917 1.00 0.48 C ATOM 2459 C LYS A 147 -0.802 -5.044 -12.403 1.00 0.40 C ATOM 2460 O LYS A 147 0.039 -4.592 -13.180 1.00 0.45 O ATOM 2461 CB LYS A 147 -3.287 -4.870 -12.139 1.00 0.54 C ATOM 2462 CG LYS A 147 -3.253 -3.352 -12.203 1.00 0.83 C ATOM 2463 CD LYS A 147 -4.466 -2.723 -11.538 1.00 1.15 C ATOM 2464 CE LYS A 147 -5.624 -2.544 -12.506 1.00 1.55 C ATOM 2465 NZ LYS A 147 -6.218 -3.836 -12.943 1.00 1.98 N ATOM 0 H LYS A 147 -2.333 -7.331 -11.868 1.00 0.54 H new ATOM 0 HA LYS A 147 -2.254 -5.251 -13.965 1.00 0.48 H new ATOM 0 HB2 LYS A 147 -4.240 -5.223 -12.533 1.00 0.54 H new ATOM 0 HB3 LYS A 147 -3.237 -5.185 -11.097 1.00 0.54 H new ATOM 0 HG2 LYS A 147 -2.346 -2.990 -11.719 1.00 0.83 H new ATOM 0 HG3 LYS A 147 -3.206 -3.035 -13.245 1.00 0.83 H new ATOM 0 HD2 LYS A 147 -4.785 -3.348 -10.704 1.00 1.15 H new ATOM 0 HD3 LYS A 147 -4.189 -1.754 -11.123 1.00 1.15 H new ATOM 0 HE2 LYS A 147 -6.396 -1.937 -12.033 1.00 1.55 H new ATOM 0 HE3 LYS A 147 -5.278 -1.995 -13.381 1.00 1.55 H new ATOM 0 HZ1 LYS A 147 -7.201 -3.681 -13.246 1.00 1.98 H new ATOM 0 HZ2 LYS A 147 -5.667 -4.220 -13.737 1.00 1.98 H new ATOM 0 HZ3 LYS A 147 -6.202 -4.511 -12.152 1.00 1.98 H new ATOM 2479 N ALA A 148 -0.589 -5.163 -11.097 1.00 0.33 N ATOM 2480 CA ALA A 148 0.685 -4.780 -10.507 1.00 0.29 C ATOM 2481 C ALA A 148 1.774 -5.717 -10.986 1.00 0.31 C ATOM 2482 O ALA A 148 2.887 -5.292 -11.294 1.00 0.34 O ATOM 2483 CB ALA A 148 0.607 -4.796 -8.991 1.00 0.33 C ATOM 0 H ALA A 148 -1.277 -5.519 -10.433 1.00 0.33 H new ATOM 0 HA ALA A 148 0.922 -3.764 -10.822 1.00 0.29 H new ATOM 0 HB1 ALA A 148 1.571 -4.506 -8.574 1.00 0.33 H new ATOM 0 HB2 ALA A 148 -0.158 -4.094 -8.659 1.00 0.33 H new ATOM 0 HB3 ALA A 148 0.351 -5.799 -8.650 1.00 0.33 H new ATOM 2489 N ALA A 149 1.436 -6.999 -11.055 1.00 0.35 N ATOM 2490 CA ALA A 149 2.350 -8.003 -11.568 1.00 0.41 C ATOM 2491 C ALA A 149 2.795 -7.652 -12.985 1.00 0.43 C ATOM 2492 O ALA A 149 3.977 -7.722 -13.307 1.00 0.51 O ATOM 2493 CB ALA A 149 1.699 -9.377 -11.523 1.00 0.48 C ATOM 0 H ALA A 149 0.531 -7.365 -10.760 1.00 0.35 H new ATOM 0 HA ALA A 149 3.238 -8.024 -10.936 1.00 0.41 H new ATOM 0 HB1 ALA A 149 2.394 -10.122 -11.910 1.00 0.48 H new ATOM 0 HB2 ALA A 149 1.440 -9.623 -10.493 1.00 0.48 H new ATOM 0 HB3 ALA A 149 0.796 -9.372 -12.133 1.00 0.48 H new ATOM 2499 N LYS A 150 1.849 -7.226 -13.811 1.00 0.41 N ATOM 2500 CA LYS A 150 2.143 -6.882 -15.197 1.00 0.46 C ATOM 2501 C LYS A 150 3.034 -5.641 -15.261 1.00 0.45 C ATOM 2502 O LYS A 150 3.942 -5.553 -16.088 1.00 0.59 O ATOM 2503 CB LYS A 150 0.842 -6.631 -15.961 1.00 0.53 C ATOM 2504 CG LYS A 150 1.005 -6.612 -17.470 1.00 1.16 C ATOM 2505 CD LYS A 150 1.396 -7.981 -18.002 1.00 1.45 C ATOM 2506 CE LYS A 150 1.435 -8.003 -19.522 1.00 1.96 C ATOM 2507 NZ LYS A 150 2.453 -7.069 -20.073 1.00 2.82 N ATOM 0 H LYS A 150 0.871 -7.110 -13.546 1.00 0.41 H new ATOM 0 HA LYS A 150 2.672 -7.716 -15.658 1.00 0.46 H new ATOM 0 HB2 LYS A 150 0.121 -7.404 -15.694 1.00 0.53 H new ATOM 0 HB3 LYS A 150 0.422 -5.678 -15.639 1.00 0.53 H new ATOM 0 HG2 LYS A 150 0.072 -6.292 -17.934 1.00 1.16 H new ATOM 0 HG3 LYS A 150 1.765 -5.882 -17.746 1.00 1.16 H new ATOM 0 HD2 LYS A 150 2.374 -8.259 -17.609 1.00 1.45 H new ATOM 0 HD3 LYS A 150 0.686 -8.727 -17.645 1.00 1.45 H new ATOM 0 HE2 LYS A 150 1.651 -9.015 -19.863 1.00 1.96 H new ATOM 0 HE3 LYS A 150 0.452 -7.738 -19.913 1.00 1.96 H new ATOM 0 HZ1 LYS A 150 2.515 -7.192 -21.104 1.00 2.82 H new ATOM 0 HZ2 LYS A 150 2.179 -6.089 -19.857 1.00 2.82 H new ATOM 0 HZ3 LYS A 150 3.379 -7.272 -19.644 1.00 2.82 H new ATOM 2521 N PHE A 151 2.764 -4.695 -14.372 1.00 0.35 N ATOM 2522 CA PHE A 151 3.524 -3.452 -14.295 1.00 0.36 C ATOM 2523 C PHE A 151 4.960 -3.706 -13.829 1.00 0.40 C ATOM 2524 O PHE A 151 5.895 -3.033 -14.271 1.00 0.46 O ATOM 2525 CB PHE A 151 2.826 -2.483 -13.333 1.00 0.34 C ATOM 2526 CG PHE A 151 3.270 -1.054 -13.480 1.00 0.33 C ATOM 2527 CD1 PHE A 151 4.355 -0.571 -12.770 1.00 0.43 C ATOM 2528 CD2 PHE A 151 2.598 -0.194 -14.333 1.00 0.46 C ATOM 2529 CE1 PHE A 151 4.762 0.740 -12.907 1.00 0.44 C ATOM 2530 CE2 PHE A 151 3.001 1.121 -14.476 1.00 0.49 C ATOM 2531 CZ PHE A 151 4.086 1.588 -13.761 1.00 0.39 C ATOM 0 H PHE A 151 2.014 -4.766 -13.685 1.00 0.35 H new ATOM 0 HA PHE A 151 3.567 -3.014 -15.292 1.00 0.36 H new ATOM 0 HB2 PHE A 151 1.750 -2.537 -13.495 1.00 0.34 H new ATOM 0 HB3 PHE A 151 3.011 -2.807 -12.309 1.00 0.34 H new ATOM 0 HD1 PHE A 151 4.890 -1.228 -12.100 1.00 0.43 H new ATOM 0 HD2 PHE A 151 1.748 -0.555 -14.894 1.00 0.46 H new ATOM 0 HE1 PHE A 151 5.610 1.103 -12.346 1.00 0.44 H new ATOM 0 HE2 PHE A 151 2.469 1.781 -15.145 1.00 0.49 H new ATOM 0 HZ PHE A 151 4.405 2.614 -13.870 1.00 0.39 H new ATOM 2541 N ALA A 152 5.133 -4.684 -12.952 1.00 0.39 N ATOM 2542 CA ALA A 152 6.431 -4.946 -12.341 1.00 0.44 C ATOM 2543 C ALA A 152 7.279 -5.922 -13.145 1.00 0.52 C ATOM 2544 O ALA A 152 8.500 -5.782 -13.225 1.00 0.59 O ATOM 2545 CB ALA A 152 6.240 -5.506 -10.946 1.00 0.44 C ATOM 0 H ALA A 152 4.390 -5.312 -12.646 1.00 0.39 H new ATOM 0 HA ALA A 152 6.958 -3.992 -12.311 1.00 0.44 H new ATOM 0 HB1 ALA A 152 7.213 -5.700 -10.495 1.00 0.44 H new ATOM 0 HB2 ALA A 152 5.694 -4.786 -10.336 1.00 0.44 H new ATOM 0 HB3 ALA A 152 5.675 -6.436 -11.002 1.00 0.44 H new ATOM 2551 N GLY A 153 6.629 -6.916 -13.726 1.00 0.65 N ATOM 2552 CA GLY A 153 7.348 -8.020 -14.329 1.00 0.84 C ATOM 2553 C GLY A 153 7.111 -9.303 -13.557 1.00 1.06 C ATOM 2554 O GLY A 153 7.896 -10.247 -13.637 1.00 1.62 O ATOM 0 H GLY A 153 5.613 -6.980 -13.792 1.00 0.65 H new ATOM 0 HA2 GLY A 153 7.027 -8.148 -15.363 1.00 0.84 H new ATOM 0 HA3 GLY A 153 8.414 -7.796 -14.352 1.00 0.84 H new