USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 758 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 LYS NZ :NH3+ -134:sc= 2.04 (180deg=0.358) USER MOD Set 1.2: A 117 GLN : amide:sc= 0.931 K(o=3,f=-7.4!) USER MOD Single : A 29 ASN : amide:sc= -0.0185 X(o=-0.019,f=-0.19) USER MOD Single : A 30 GLN : amide:sc= -0.552 K(o=-0.55,f=-1.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 151:sc= -0.599 (180deg=-2.07!) USER MOD Single : A 41 SER OG : rot 160:sc= -0.925 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 150:sc= -1.67 (180deg=-2.32!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.11 K(o=-1.1,f=-5.7!) USER MOD Single : A 52 SER OG : rot -68:sc= 1.25 USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= 1.21 (180deg=1.15) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -170:sc= -0.0223 (180deg=-0.207) USER MOD Single : A 75 LYS NZ :NH3+ -127:sc= -1.78! (180deg=-4.2!) USER MOD Single : A 79 HIS : no HD1:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.328 K(o=-0.33,f=-1.2) USER MOD Single : A 86 HIS : no HD1:sc= 0.63 K(o=0.63,f=-5.7!) USER MOD Single : A 90 GLN : amide:sc= -0.277 K(o=-0.28,f=-3.5!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4.9!) USER MOD Single : A 106 THR OG1 : rot -150:sc= -0.019 USER MOD Single : A 108 CYS SG : rot -3:sc= -0.884 USER MOD Single : A 109 TYR OH : rot 33:sc= 1.17 USER MOD Single : A 114 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.58) USER MOD Single : A 116 TYR OH : rot -85:sc= 0.341 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot -31:sc=-0.00617 USER MOD ----------------------------------------------------------------- ATOM 180 N ARG A 28 2.901 16.770 2.168 1.00 0.00 N ATOM 181 CA ARG A 28 1.474 16.662 1.908 1.00 0.00 C ATOM 182 C ARG A 28 1.229 16.085 0.517 1.00 0.00 C ATOM 183 O ARG A 28 0.208 15.455 0.256 1.00 0.00 O ATOM 184 CB ARG A 28 0.797 18.033 2.062 1.00 0.00 C ATOM 185 CG ARG A 28 1.585 19.192 1.472 1.00 0.00 C ATOM 186 CD ARG A 28 1.375 19.274 -0.026 1.00 0.00 C ATOM 187 NE ARG A 28 0.036 19.738 -0.386 1.00 0.00 N ATOM 188 CZ ARG A 28 -0.455 19.707 -1.629 1.00 0.00 C ATOM 189 NH1 ARG A 28 0.298 19.263 -2.634 1.00 0.00 N ATOM 190 NH2 ARG A 28 -1.693 20.123 -1.872 1.00 0.00 N ATOM 0 HA ARG A 28 1.035 15.983 2.639 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.183 17.996 1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.630 18.225 3.122 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.273 20.126 1.940 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.646 19.065 1.689 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.116 19.948 -0.456 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.545 18.291 -0.466 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.559 20.107 0.356 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.251 18.946 -2.456 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.078 19.240 -3.582 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.274 20.468 -1.108 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.062 20.097 -2.822 1.00 0.00 H new ATOM 204 N ASN A 29 2.188 16.310 -0.364 1.00 0.00 N ATOM 205 CA ASN A 29 2.139 15.804 -1.721 1.00 0.00 C ATOM 206 C ASN A 29 2.946 14.525 -1.793 1.00 0.00 C ATOM 207 O ASN A 29 3.779 14.281 -0.929 1.00 0.00 O ATOM 208 CB ASN A 29 2.678 16.839 -2.707 1.00 0.00 C ATOM 209 CG ASN A 29 4.165 17.098 -2.530 1.00 0.00 C ATOM 210 OD1 ASN A 29 4.563 17.902 -1.688 1.00 0.00 O ATOM 211 ND2 ASN A 29 4.990 16.443 -3.336 1.00 0.00 N ATOM 0 H ASN A 29 3.026 16.852 -0.155 1.00 0.00 H new ATOM 0 HA ASN A 29 1.104 15.599 -1.995 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.492 16.497 -3.725 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.133 17.774 -2.580 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.996 16.598 -3.271 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.618 15.785 -4.021 1.00 0.00 H new ATOM 218 N GLN A 30 2.694 13.721 -2.817 1.00 0.00 N ATOM 219 CA GLN A 30 3.229 12.365 -2.891 1.00 0.00 C ATOM 220 C GLN A 30 4.675 12.336 -3.393 1.00 0.00 C ATOM 221 O GLN A 30 4.936 12.550 -4.582 1.00 0.00 O ATOM 222 CB GLN A 30 2.347 11.536 -3.827 1.00 0.00 C ATOM 223 CG GLN A 30 2.744 10.073 -3.922 1.00 0.00 C ATOM 224 CD GLN A 30 1.985 9.341 -5.007 1.00 0.00 C ATOM 225 OE1 GLN A 30 0.863 9.697 -5.347 1.00 0.00 O ATOM 226 NE2 GLN A 30 2.599 8.307 -5.557 1.00 0.00 N ATOM 0 H GLN A 30 2.117 13.986 -3.615 1.00 0.00 H new ATOM 0 HA GLN A 30 3.227 11.948 -1.884 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.314 11.599 -3.485 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.381 11.976 -4.824 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.814 10.001 -4.118 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.563 9.587 -2.964 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.534 8.044 -5.245 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.138 7.773 -6.294 1.00 0.00 H new ATOM 235 N PRO A 31 5.636 12.079 -2.484 1.00 0.00 N ATOM 236 CA PRO A 31 7.039 11.871 -2.837 1.00 0.00 C ATOM 237 C PRO A 31 7.275 10.450 -3.357 1.00 0.00 C ATOM 238 O PRO A 31 6.317 9.759 -3.716 1.00 0.00 O ATOM 239 CB PRO A 31 7.762 12.101 -1.512 1.00 0.00 C ATOM 240 CG PRO A 31 6.791 11.660 -0.478 1.00 0.00 C ATOM 241 CD PRO A 31 5.422 11.966 -1.025 1.00 0.00 C ATOM 0 HA PRO A 31 7.383 12.529 -3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.687 11.526 -1.459 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.031 13.149 -1.383 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.898 10.595 -0.273 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.960 12.184 0.463 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.711 11.175 -0.786 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.023 12.890 -0.607 1.00 0.00 H new ATOM 249 N LEU A 32 8.539 10.023 -3.425 1.00 0.00 N ATOM 250 CA LEU A 32 8.873 8.667 -3.869 1.00 0.00 C ATOM 251 C LEU A 32 8.048 7.627 -3.105 1.00 0.00 C ATOM 252 O LEU A 32 7.865 7.735 -1.892 1.00 0.00 O ATOM 253 CB LEU A 32 10.373 8.390 -3.698 1.00 0.00 C ATOM 254 CG LEU A 32 11.269 8.861 -4.852 1.00 0.00 C ATOM 255 CD1 LEU A 32 11.192 10.370 -5.040 1.00 0.00 C ATOM 256 CD2 LEU A 32 12.705 8.428 -4.614 1.00 0.00 C ATOM 0 H LEU A 32 9.346 10.596 -3.179 1.00 0.00 H new ATOM 0 HA LEU A 32 8.629 8.591 -4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.711 8.870 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.514 7.317 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 32 10.906 8.395 -5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.839 10.667 -5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.164 10.657 -5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.517 10.868 -4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 32 13.329 8.769 -5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 32 13.067 8.863 -3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.751 7.341 -4.549 1.00 0.00 H new ATOM 268 N LYS A 33 7.552 6.624 -3.824 1.00 0.00 N ATOM 269 CA LYS A 33 6.595 5.683 -3.252 1.00 0.00 C ATOM 270 C LYS A 33 7.288 4.691 -2.310 1.00 0.00 C ATOM 271 O LYS A 33 7.952 3.743 -2.725 1.00 0.00 O ATOM 272 CB LYS A 33 5.763 4.995 -4.365 1.00 0.00 C ATOM 273 CG LYS A 33 6.423 3.829 -5.100 1.00 0.00 C ATOM 274 CD LYS A 33 7.753 4.200 -5.745 1.00 0.00 C ATOM 275 CE LYS A 33 8.559 2.953 -6.093 1.00 0.00 C ATOM 276 NZ LYS A 33 9.887 3.284 -6.665 1.00 0.00 N ATOM 0 H LYS A 33 7.795 6.443 -4.798 1.00 0.00 H new ATOM 0 HA LYS A 33 5.886 6.236 -2.637 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.835 4.635 -3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.492 5.751 -5.102 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.583 3.010 -4.399 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.744 3.462 -5.869 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.573 4.784 -6.647 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.327 4.831 -5.066 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.692 2.347 -5.197 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.999 2.348 -6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.398 2.406 -6.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.761 3.840 -7.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.433 3.839 -5.976 1.00 0.00 H new ATOM 290 N LYS A 34 7.165 4.967 -1.022 1.00 0.00 N ATOM 291 CA LYS A 34 7.807 4.158 0.002 1.00 0.00 C ATOM 292 C LYS A 34 6.832 3.155 0.604 1.00 0.00 C ATOM 293 O LYS A 34 7.238 2.165 1.214 1.00 0.00 O ATOM 294 CB LYS A 34 8.359 5.063 1.104 1.00 0.00 C ATOM 295 CG LYS A 34 9.301 6.147 0.603 1.00 0.00 C ATOM 296 CD LYS A 34 10.597 5.570 0.061 1.00 0.00 C ATOM 297 CE LYS A 34 11.511 6.673 -0.438 1.00 0.00 C ATOM 298 NZ LYS A 34 12.807 6.142 -0.940 1.00 0.00 N ATOM 0 H LYS A 34 6.623 5.751 -0.659 1.00 0.00 H new ATOM 0 HA LYS A 34 8.622 3.604 -0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.525 5.534 1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.885 4.449 1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.806 6.724 -0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.524 6.838 1.416 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.101 4.999 0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.380 4.876 -0.751 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.012 7.224 -1.236 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.698 7.381 0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.400 6.930 -1.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.296 5.639 -0.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.632 5.486 -1.728 1.00 0.00 H new ATOM 312 N GLU A 35 5.546 3.414 0.430 1.00 0.00 N ATOM 313 CA GLU A 35 4.516 2.604 1.061 1.00 0.00 C ATOM 314 C GLU A 35 4.015 1.528 0.106 1.00 0.00 C ATOM 315 O GLU A 35 4.008 1.712 -1.114 1.00 0.00 O ATOM 316 CB GLU A 35 3.347 3.489 1.488 1.00 0.00 C ATOM 317 CG GLU A 35 2.550 2.949 2.665 1.00 0.00 C ATOM 318 CD GLU A 35 3.314 3.026 3.969 1.00 0.00 C ATOM 319 OE1 GLU A 35 4.073 2.083 4.276 1.00 0.00 O ATOM 320 OE2 GLU A 35 3.158 4.032 4.697 1.00 0.00 O ATOM 0 H GLU A 35 5.190 4.179 -0.143 1.00 0.00 H new ATOM 0 HA GLU A 35 4.949 2.122 1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.730 4.477 1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.676 3.619 0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.621 3.511 2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.277 1.912 2.469 1.00 0.00 H new ATOM 327 N LYS A 36 3.607 0.408 0.676 1.00 0.00 N ATOM 328 CA LYS A 36 3.042 -0.700 -0.079 1.00 0.00 C ATOM 329 C LYS A 36 1.516 -0.649 -0.001 1.00 0.00 C ATOM 330 O LYS A 36 0.964 0.012 0.879 1.00 0.00 O ATOM 331 CB LYS A 36 3.569 -2.025 0.481 1.00 0.00 C ATOM 332 CG LYS A 36 5.082 -2.150 0.409 1.00 0.00 C ATOM 333 CD LYS A 36 5.559 -3.509 0.869 1.00 0.00 C ATOM 334 CE LYS A 36 7.061 -3.494 1.017 1.00 0.00 C ATOM 335 NZ LYS A 36 7.639 -4.866 1.076 1.00 0.00 N ATOM 0 H LYS A 36 3.658 0.239 1.681 1.00 0.00 H new ATOM 0 HA LYS A 36 3.339 -0.622 -1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.252 -2.124 1.519 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.117 -2.850 -0.070 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.412 -1.977 -0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.540 -1.377 1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.092 -3.767 1.820 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.262 -4.273 0.150 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.501 -2.953 0.179 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.329 -2.950 1.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.672 -4.803 1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.241 -5.376 1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.408 -5.378 0.201 1.00 0.00 H new ATOM 349 N PRO A 37 0.814 -1.339 -0.923 1.00 0.00 N ATOM 350 CA PRO A 37 -0.653 -1.316 -0.981 1.00 0.00 C ATOM 351 C PRO A 37 -1.310 -1.729 0.338 1.00 0.00 C ATOM 352 O PRO A 37 -0.842 -2.641 1.026 1.00 0.00 O ATOM 353 CB PRO A 37 -0.994 -2.307 -2.091 1.00 0.00 C ATOM 354 CG PRO A 37 0.244 -2.419 -2.913 1.00 0.00 C ATOM 355 CD PRO A 37 1.394 -2.191 -1.976 1.00 0.00 C ATOM 0 HA PRO A 37 -1.026 -0.309 -1.169 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.282 -3.275 -1.680 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.833 -1.953 -2.690 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.313 -3.401 -3.381 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.245 -1.682 -3.716 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.773 -3.129 -1.570 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.228 -1.699 -2.476 1.00 0.00 H new ATOM 363 N LYS A 38 -2.405 -1.063 0.666 1.00 0.00 N ATOM 364 CA LYS A 38 -3.032 -1.202 1.972 1.00 0.00 C ATOM 365 C LYS A 38 -4.382 -1.906 1.869 1.00 0.00 C ATOM 366 O LYS A 38 -5.187 -1.560 1.002 1.00 0.00 O ATOM 367 CB LYS A 38 -3.221 0.183 2.582 1.00 0.00 C ATOM 368 CG LYS A 38 -3.660 0.177 4.033 1.00 0.00 C ATOM 369 CD LYS A 38 -3.924 1.591 4.523 1.00 0.00 C ATOM 370 CE LYS A 38 -5.085 2.230 3.771 1.00 0.00 C ATOM 371 NZ LYS A 38 -5.270 3.662 4.135 1.00 0.00 N ATOM 0 H LYS A 38 -2.882 -0.415 0.040 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.385 -1.809 2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.283 0.732 2.502 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.960 0.727 1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.562 -0.425 4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.890 -0.288 4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.145 1.573 5.590 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.027 2.196 4.394 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.909 2.149 2.698 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.002 1.681 3.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.278 3.849 4.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.726 3.874 4.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.935 4.264 3.356 1.00 0.00 H new ATOM 385 N TRP A 39 -4.611 -2.853 2.793 1.00 0.00 N ATOM 386 CA TRP A 39 -5.856 -3.655 2.878 1.00 0.00 C ATOM 387 C TRP A 39 -5.583 -5.027 3.507 1.00 0.00 C ATOM 388 O TRP A 39 -6.506 -5.708 3.948 1.00 0.00 O ATOM 389 CB TRP A 39 -6.515 -3.883 1.511 1.00 0.00 C ATOM 390 CG TRP A 39 -5.905 -5.007 0.722 1.00 0.00 C ATOM 391 CD1 TRP A 39 -4.598 -5.138 0.352 1.00 0.00 C ATOM 392 CD2 TRP A 39 -6.587 -6.153 0.197 1.00 0.00 C ATOM 393 NE1 TRP A 39 -4.427 -6.295 -0.359 1.00 0.00 N ATOM 394 CE2 TRP A 39 -5.631 -6.933 -0.474 1.00 0.00 C ATOM 395 CE3 TRP A 39 -7.912 -6.594 0.227 1.00 0.00 C ATOM 396 CZ2 TRP A 39 -5.956 -8.130 -1.110 1.00 0.00 C ATOM 397 CZ3 TRP A 39 -8.233 -7.781 -0.403 1.00 0.00 C ATOM 398 CH2 TRP A 39 -7.258 -8.537 -1.064 1.00 0.00 C ATOM 0 H TRP A 39 -3.931 -3.091 3.515 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.536 -3.074 3.501 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -7.575 -4.089 1.659 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.448 -2.964 0.928 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -3.814 -4.433 0.586 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.542 -6.628 -0.742 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -8.672 -6.017 0.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.205 -8.714 -1.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -9.254 -8.132 -0.385 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -7.541 -9.460 -1.547 1.00 0.00 H new ATOM 409 N LYS A 40 -4.315 -5.433 3.544 1.00 0.00 N ATOM 410 CA LYS A 40 -3.957 -6.763 4.013 1.00 0.00 C ATOM 411 C LYS A 40 -3.168 -6.686 5.309 1.00 0.00 C ATOM 412 O LYS A 40 -2.659 -5.625 5.670 1.00 0.00 O ATOM 413 CB LYS A 40 -3.141 -7.498 2.931 1.00 0.00 C ATOM 414 CG LYS A 40 -1.894 -6.755 2.444 1.00 0.00 C ATOM 415 CD LYS A 40 -0.739 -6.850 3.427 1.00 0.00 C ATOM 416 CE LYS A 40 0.509 -6.168 2.886 1.00 0.00 C ATOM 417 NZ LYS A 40 1.650 -6.233 3.844 1.00 0.00 N ATOM 0 H LYS A 40 -3.523 -4.859 3.255 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.873 -7.320 4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.837 -8.469 3.323 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.789 -7.689 2.076 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.583 -7.164 1.483 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.141 -5.706 2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.026 -6.390 4.373 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.522 -7.898 3.635 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.799 -6.638 1.947 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.283 -5.125 2.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.547 -6.228 3.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.617 -5.410 4.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.583 -7.106 4.405 1.00 0.00 H new ATOM 431 N SER A 41 -3.061 -7.815 5.995 1.00 0.00 N ATOM 432 CA SER A 41 -2.299 -7.888 7.227 1.00 0.00 C ATOM 433 C SER A 41 -0.831 -7.645 6.939 1.00 0.00 C ATOM 434 O SER A 41 -0.221 -8.368 6.153 1.00 0.00 O ATOM 435 CB SER A 41 -2.479 -9.260 7.872 1.00 0.00 C ATOM 436 OG SER A 41 -3.850 -9.523 8.103 1.00 0.00 O ATOM 0 H SER A 41 -3.495 -8.695 5.715 1.00 0.00 H new ATOM 0 HA SER A 41 -2.661 -7.123 7.913 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.059 -10.030 7.225 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.931 -9.300 8.813 1.00 0.00 H new ATOM 0 HG SER A 41 -3.985 -10.488 8.207 1.00 0.00 H new ATOM 442 N ASP A 42 -0.274 -6.605 7.544 1.00 0.00 N ATOM 443 CA ASP A 42 1.134 -6.301 7.360 1.00 0.00 C ATOM 444 C ASP A 42 1.972 -7.395 8.002 1.00 0.00 C ATOM 445 O ASP A 42 3.087 -7.683 7.567 1.00 0.00 O ATOM 446 CB ASP A 42 1.477 -4.934 7.943 1.00 0.00 C ATOM 447 CG ASP A 42 2.746 -4.367 7.344 1.00 0.00 C ATOM 448 OD1 ASP A 42 2.983 -4.589 6.137 1.00 0.00 O ATOM 449 OD2 ASP A 42 3.506 -3.690 8.073 1.00 0.00 O ATOM 0 H ASP A 42 -0.772 -5.964 8.161 1.00 0.00 H new ATOM 0 HA ASP A 42 1.356 -6.264 6.293 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.652 -4.245 7.763 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.592 -5.019 9.024 1.00 0.00 H new ATOM 454 N TYR A 43 1.406 -8.007 9.036 1.00 0.00 N ATOM 455 CA TYR A 43 1.948 -9.232 9.600 1.00 0.00 C ATOM 456 C TYR A 43 0.856 -10.296 9.642 1.00 0.00 C ATOM 457 O TYR A 43 0.099 -10.386 10.609 1.00 0.00 O ATOM 458 CB TYR A 43 2.511 -9.004 11.006 1.00 0.00 C ATOM 459 CG TYR A 43 3.194 -10.229 11.583 1.00 0.00 C ATOM 460 CD1 TYR A 43 4.541 -10.467 11.346 1.00 0.00 C ATOM 461 CD2 TYR A 43 2.490 -11.154 12.349 1.00 0.00 C ATOM 462 CE1 TYR A 43 5.167 -11.588 11.855 1.00 0.00 C ATOM 463 CE2 TYR A 43 3.110 -12.277 12.857 1.00 0.00 C ATOM 464 CZ TYR A 43 4.447 -12.490 12.607 1.00 0.00 C ATOM 465 OH TYR A 43 5.067 -13.612 13.109 1.00 0.00 O ATOM 0 H TYR A 43 0.564 -7.669 9.502 1.00 0.00 H new ATOM 0 HA TYR A 43 2.769 -9.567 8.966 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.223 -8.180 10.976 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.701 -8.701 11.670 1.00 0.00 H new ATOM 0 HD1 TYR A 43 5.109 -9.764 10.754 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.441 -10.990 12.549 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.217 -11.757 11.664 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.549 -12.986 13.448 1.00 0.00 H new ATOM 0 HH TYR A 43 4.420 -14.144 13.617 1.00 0.00 H new ATOM 475 N PRO A 44 0.725 -11.082 8.573 1.00 0.00 N ATOM 476 CA PRO A 44 -0.239 -12.169 8.503 1.00 0.00 C ATOM 477 C PRO A 44 0.237 -13.410 9.243 1.00 0.00 C ATOM 478 O PRO A 44 1.406 -13.794 9.152 1.00 0.00 O ATOM 479 CB PRO A 44 -0.347 -12.468 7.001 1.00 0.00 C ATOM 480 CG PRO A 44 0.452 -11.405 6.326 1.00 0.00 C ATOM 481 CD PRO A 44 1.478 -10.970 7.327 1.00 0.00 C ATOM 0 HA PRO A 44 -1.186 -11.894 8.967 1.00 0.00 H new ATOM 0 HB2 PRO A 44 0.043 -13.459 6.769 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.385 -12.448 6.670 1.00 0.00 H new ATOM 0 HG2 PRO A 44 0.925 -11.786 5.421 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.181 -10.570 6.027 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.359 -11.612 7.319 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.824 -9.952 7.146 1.00 0.00 H new ATOM 489 N MET A 45 -0.668 -14.023 9.980 1.00 0.00 N ATOM 490 CA MET A 45 -0.381 -15.278 10.650 1.00 0.00 C ATOM 491 C MET A 45 -1.119 -16.405 9.956 1.00 0.00 C ATOM 492 O MET A 45 -1.177 -16.454 8.726 1.00 0.00 O ATOM 493 CB MET A 45 -0.777 -15.208 12.128 1.00 0.00 C ATOM 494 CG MET A 45 0.397 -14.940 13.050 1.00 0.00 C ATOM 495 SD MET A 45 1.475 -16.373 13.253 1.00 0.00 S ATOM 496 CE MET A 45 0.408 -17.485 14.166 1.00 0.00 C ATOM 0 H MET A 45 -1.613 -13.671 10.131 1.00 0.00 H new ATOM 0 HA MET A 45 0.691 -15.468 10.599 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.521 -14.423 12.261 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.249 -16.147 12.416 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.979 -14.107 12.655 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.022 -14.633 14.026 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.663 -18.516 13.922 1.00 0.00 H new ATOM 0 HE2 MET A 45 0.542 -17.322 15.235 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.631 -17.295 13.897 1.00 0.00 H new ATOM 506 N THR A 46 -1.691 -17.292 10.741 1.00 0.00 N ATOM 507 CA THR A 46 -2.376 -18.449 10.212 1.00 0.00 C ATOM 508 C THR A 46 -3.795 -18.081 9.757 1.00 0.00 C ATOM 509 O THR A 46 -4.173 -16.908 9.798 1.00 0.00 O ATOM 510 CB THR A 46 -2.389 -19.561 11.272 1.00 0.00 C ATOM 511 OG1 THR A 46 -3.188 -19.170 12.398 1.00 0.00 O ATOM 512 CG2 THR A 46 -0.967 -19.832 11.745 1.00 0.00 C ATOM 0 H THR A 46 -1.694 -17.231 11.759 1.00 0.00 H new ATOM 0 HA THR A 46 -1.845 -18.815 9.333 1.00 0.00 H new ATOM 0 HB THR A 46 -2.813 -20.461 10.826 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.188 -19.889 13.064 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.978 -20.621 12.497 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.356 -20.145 10.899 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.548 -18.924 12.178 1.00 0.00 H new ATOM 520 N ASP A 47 -4.572 -19.078 9.339 1.00 0.00 N ATOM 521 CA ASP A 47 -5.851 -18.843 8.659 1.00 0.00 C ATOM 522 C ASP A 47 -6.822 -17.990 9.474 1.00 0.00 C ATOM 523 O ASP A 47 -7.372 -17.023 8.955 1.00 0.00 O ATOM 524 CB ASP A 47 -6.513 -20.171 8.282 1.00 0.00 C ATOM 525 CG ASP A 47 -7.921 -19.987 7.749 1.00 0.00 C ATOM 526 OD1 ASP A 47 -8.084 -19.455 6.628 1.00 0.00 O ATOM 527 OD2 ASP A 47 -8.875 -20.370 8.458 1.00 0.00 O ATOM 0 H ASP A 47 -4.339 -20.064 9.459 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.615 -18.279 7.757 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.906 -20.675 7.530 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.541 -20.821 9.157 1.00 0.00 H new ATOM 532 N GLY A 48 -7.033 -18.338 10.739 1.00 0.00 N ATOM 533 CA GLY A 48 -7.969 -17.594 11.572 1.00 0.00 C ATOM 534 C GLY A 48 -7.572 -16.137 11.743 1.00 0.00 C ATOM 535 O GLY A 48 -8.433 -15.254 11.800 1.00 0.00 O ATOM 0 H GLY A 48 -6.574 -19.121 11.205 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.964 -17.646 11.129 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.032 -18.067 12.552 1.00 0.00 H new ATOM 539 N GLN A 49 -6.278 -15.883 11.829 1.00 0.00 N ATOM 540 CA GLN A 49 -5.773 -14.519 11.908 1.00 0.00 C ATOM 541 C GLN A 49 -5.914 -13.828 10.565 1.00 0.00 C ATOM 542 O GLN A 49 -6.349 -12.681 10.485 1.00 0.00 O ATOM 543 CB GLN A 49 -4.305 -14.518 12.335 1.00 0.00 C ATOM 544 CG GLN A 49 -4.082 -15.149 13.696 1.00 0.00 C ATOM 545 CD GLN A 49 -4.617 -14.297 14.837 1.00 0.00 C ATOM 546 OE1 GLN A 49 -5.575 -13.541 14.673 1.00 0.00 O ATOM 547 NE2 GLN A 49 -4.010 -14.419 16.008 1.00 0.00 N ATOM 0 H GLN A 49 -5.555 -16.603 11.846 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.359 -13.978 12.651 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.716 -15.055 11.591 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.938 -13.492 12.352 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.564 -16.126 13.722 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.015 -15.316 13.843 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.219 -15.055 16.109 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.334 -13.877 16.809 1.00 0.00 H new ATOM 556 N LEU A 50 -5.554 -14.552 9.516 1.00 0.00 N ATOM 557 CA LEU A 50 -5.595 -14.029 8.161 1.00 0.00 C ATOM 558 C LEU A 50 -7.013 -13.621 7.781 1.00 0.00 C ATOM 559 O LEU A 50 -7.220 -12.546 7.233 1.00 0.00 O ATOM 560 CB LEU A 50 -5.062 -15.070 7.174 1.00 0.00 C ATOM 561 CG LEU A 50 -4.969 -14.609 5.718 1.00 0.00 C ATOM 562 CD1 LEU A 50 -4.029 -13.420 5.592 1.00 0.00 C ATOM 563 CD2 LEU A 50 -4.504 -15.755 4.833 1.00 0.00 C ATOM 0 H LEU A 50 -5.226 -15.516 9.581 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.960 -13.144 8.117 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.071 -15.382 7.502 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.704 -15.950 7.218 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.960 -14.296 5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.976 -13.107 4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.402 -12.596 6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.035 -13.704 5.936 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.442 -15.414 3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.522 -16.094 5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.214 -16.579 4.901 1.00 0.00 H new ATOM 575 N ARG A 51 -7.983 -14.478 8.087 1.00 0.00 N ATOM 576 CA ARG A 51 -9.381 -14.191 7.779 1.00 0.00 C ATOM 577 C ARG A 51 -9.879 -12.979 8.573 1.00 0.00 C ATOM 578 O ARG A 51 -10.426 -12.027 7.998 1.00 0.00 O ATOM 579 CB ARG A 51 -10.266 -15.422 8.058 1.00 0.00 C ATOM 580 CG ARG A 51 -10.175 -15.935 9.485 1.00 0.00 C ATOM 581 CD ARG A 51 -11.161 -17.052 9.772 1.00 0.00 C ATOM 582 NE ARG A 51 -10.855 -18.288 9.058 1.00 0.00 N ATOM 583 CZ ARG A 51 -11.784 -19.072 8.513 1.00 0.00 C ATOM 584 NH1 ARG A 51 -13.042 -18.661 8.427 1.00 0.00 N ATOM 585 NH2 ARG A 51 -11.437 -20.251 8.021 1.00 0.00 N ATOM 0 H ARG A 51 -7.827 -15.375 8.547 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.449 -13.953 6.717 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.303 -15.169 7.839 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.983 -16.223 7.376 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.163 -16.293 9.674 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.356 -15.111 10.175 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.171 -17.252 10.843 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.163 -16.722 9.500 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.877 -18.566 8.972 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.303 -17.740 8.779 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.749 -19.266 8.009 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.464 -20.554 8.061 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.143 -20.857 7.602 1.00 0.00 H new ATOM 599 N SER A 52 -9.659 -13.001 9.885 1.00 0.00 N ATOM 600 CA SER A 52 -10.147 -11.943 10.756 1.00 0.00 C ATOM 601 C SER A 52 -9.486 -10.620 10.415 1.00 0.00 C ATOM 602 O SER A 52 -10.166 -9.649 10.084 1.00 0.00 O ATOM 603 CB SER A 52 -9.882 -12.297 12.223 1.00 0.00 C ATOM 604 OG SER A 52 -10.461 -11.344 13.106 1.00 0.00 O ATOM 0 H SER A 52 -9.146 -13.740 10.365 1.00 0.00 H new ATOM 0 HA SER A 52 -11.222 -11.844 10.603 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.287 -13.286 12.438 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.807 -12.348 12.397 1.00 0.00 H new ATOM 0 HG SER A 52 -9.988 -10.490 13.021 1.00 0.00 H new ATOM 610 N LYS A 53 -8.161 -10.592 10.470 1.00 0.00 N ATOM 611 CA LYS A 53 -7.425 -9.355 10.278 1.00 0.00 C ATOM 612 C LYS A 53 -7.626 -8.809 8.870 1.00 0.00 C ATOM 613 O LYS A 53 -7.540 -7.604 8.655 1.00 0.00 O ATOM 614 CB LYS A 53 -5.943 -9.557 10.589 1.00 0.00 C ATOM 615 CG LYS A 53 -5.280 -8.319 11.170 1.00 0.00 C ATOM 616 CD LYS A 53 -6.092 -7.754 12.331 1.00 0.00 C ATOM 617 CE LYS A 53 -6.262 -8.766 13.457 1.00 0.00 C ATOM 618 NZ LYS A 53 -7.384 -8.401 14.363 1.00 0.00 N ATOM 0 H LYS A 53 -7.578 -11.410 10.646 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.817 -8.614 10.975 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.835 -10.383 11.292 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.423 -9.845 9.676 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.275 -8.568 11.512 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.174 -7.561 10.394 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.599 -6.862 12.717 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.073 -7.445 11.970 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.443 -9.754 13.034 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.338 -8.830 14.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.276 -8.902 15.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.374 -7.375 14.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.287 -8.671 13.923 1.00 0.00 H new ATOM 632 N ARG A 54 -7.885 -9.701 7.916 1.00 0.00 N ATOM 633 CA ARG A 54 -8.246 -9.286 6.563 1.00 0.00 C ATOM 634 C ARG A 54 -9.490 -8.409 6.606 1.00 0.00 C ATOM 635 O ARG A 54 -9.539 -7.359 5.973 1.00 0.00 O ATOM 636 CB ARG A 54 -8.519 -10.505 5.681 1.00 0.00 C ATOM 637 CG ARG A 54 -8.845 -10.171 4.235 1.00 0.00 C ATOM 638 CD ARG A 54 -9.362 -11.393 3.492 1.00 0.00 C ATOM 639 NE ARG A 54 -8.403 -12.502 3.509 1.00 0.00 N ATOM 640 CZ ARG A 54 -8.690 -13.734 3.938 1.00 0.00 C ATOM 641 NH1 ARG A 54 -9.893 -14.016 4.430 1.00 0.00 N ATOM 642 NH2 ARG A 54 -7.760 -14.682 3.886 1.00 0.00 N ATOM 0 H ARG A 54 -7.852 -10.711 8.054 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.413 -8.723 6.142 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.646 -11.157 5.703 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.349 -11.069 6.107 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.593 -9.378 4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.954 -9.789 3.737 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.299 -11.719 3.942 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.582 -11.122 2.459 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.457 -12.321 3.172 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.606 -13.288 4.482 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.103 -14.960 4.755 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.833 -14.467 3.520 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.974 -15.624 4.212 1.00 0.00 H new ATOM 656 N ASP A 55 -10.485 -8.844 7.371 1.00 0.00 N ATOM 657 CA ASP A 55 -11.737 -8.113 7.494 1.00 0.00 C ATOM 658 C ASP A 55 -11.531 -6.794 8.235 1.00 0.00 C ATOM 659 O ASP A 55 -11.967 -5.735 7.776 1.00 0.00 O ATOM 660 CB ASP A 55 -12.750 -8.974 8.228 1.00 0.00 C ATOM 661 CG ASP A 55 -14.107 -8.314 8.337 1.00 0.00 C ATOM 662 OD1 ASP A 55 -14.885 -8.398 7.367 1.00 0.00 O ATOM 663 OD2 ASP A 55 -14.405 -7.725 9.398 1.00 0.00 O ATOM 0 H ASP A 55 -10.446 -9.704 7.917 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.108 -7.881 6.496 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -12.855 -9.927 7.709 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -12.376 -9.195 9.228 1.00 0.00 H new ATOM 668 N GLU A 56 -10.856 -6.869 9.386 1.00 0.00 N ATOM 669 CA GLU A 56 -10.488 -5.671 10.148 1.00 0.00 C ATOM 670 C GLU A 56 -9.807 -4.655 9.246 1.00 0.00 C ATOM 671 O GLU A 56 -10.120 -3.463 9.266 1.00 0.00 O ATOM 672 CB GLU A 56 -9.525 -6.011 11.288 1.00 0.00 C ATOM 673 CG GLU A 56 -10.189 -6.471 12.580 1.00 0.00 C ATOM 674 CD GLU A 56 -10.522 -7.948 12.613 1.00 0.00 C ATOM 675 OE1 GLU A 56 -9.608 -8.758 12.884 1.00 0.00 O ATOM 676 OE2 GLU A 56 -11.701 -8.303 12.409 1.00 0.00 O ATOM 0 H GLU A 56 -10.553 -7.746 9.811 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.409 -5.258 10.559 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.846 -6.793 10.948 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.917 -5.132 11.503 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.530 -6.239 13.417 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.105 -5.900 12.728 1.00 0.00 H new ATOM 683 N PHE A 57 -8.857 -5.140 8.471 1.00 0.00 N ATOM 684 CA PHE A 57 -8.100 -4.298 7.564 1.00 0.00 C ATOM 685 C PHE A 57 -8.957 -3.797 6.407 1.00 0.00 C ATOM 686 O PHE A 57 -8.800 -2.661 5.971 1.00 0.00 O ATOM 687 CB PHE A 57 -6.907 -5.063 7.019 1.00 0.00 C ATOM 688 CG PHE A 57 -5.601 -4.360 7.241 1.00 0.00 C ATOM 689 CD1 PHE A 57 -5.226 -3.293 6.445 1.00 0.00 C ATOM 690 CD2 PHE A 57 -4.748 -4.765 8.255 1.00 0.00 C ATOM 691 CE1 PHE A 57 -4.027 -2.638 6.656 1.00 0.00 C ATOM 692 CE2 PHE A 57 -3.548 -4.118 8.472 1.00 0.00 C ATOM 693 CZ PHE A 57 -3.186 -3.053 7.671 1.00 0.00 C ATOM 0 H PHE A 57 -8.589 -6.124 8.451 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.758 -3.431 8.129 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.868 -6.045 7.490 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.047 -5.227 5.951 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.878 -2.967 5.648 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -5.026 -5.598 8.884 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.748 -1.804 6.029 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.894 -4.444 9.267 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.247 -2.545 7.837 1.00 0.00 H new ATOM 703 N TRP A 58 -9.833 -4.660 5.898 1.00 0.00 N ATOM 704 CA TRP A 58 -10.790 -4.281 4.845 1.00 0.00 C ATOM 705 C TRP A 58 -11.608 -3.044 5.226 1.00 0.00 C ATOM 706 O TRP A 58 -12.035 -2.288 4.352 1.00 0.00 O ATOM 707 CB TRP A 58 -11.743 -5.435 4.505 1.00 0.00 C ATOM 708 CG TRP A 58 -11.498 -6.023 3.147 1.00 0.00 C ATOM 709 CD1 TRP A 58 -10.972 -7.248 2.869 1.00 0.00 C ATOM 710 CD2 TRP A 58 -11.760 -5.400 1.881 1.00 0.00 C ATOM 711 NE1 TRP A 58 -10.893 -7.429 1.509 1.00 0.00 N ATOM 712 CE2 TRP A 58 -11.366 -6.308 0.879 1.00 0.00 C ATOM 713 CE3 TRP A 58 -12.291 -4.165 1.496 1.00 0.00 C ATOM 714 CZ2 TRP A 58 -11.481 -6.015 -0.479 1.00 0.00 C ATOM 715 CZ3 TRP A 58 -12.404 -3.876 0.150 1.00 0.00 C ATOM 716 CH2 TRP A 58 -12.000 -4.798 -0.825 1.00 0.00 C ATOM 0 H TRP A 58 -9.905 -5.633 6.195 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.192 -4.042 3.966 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -11.639 -6.217 5.257 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -12.771 -5.077 4.559 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -10.662 -7.971 3.609 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -10.539 -8.264 1.043 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -12.608 -3.448 2.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -11.171 -6.725 -1.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -12.811 -2.923 -0.156 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -12.100 -4.543 -1.870 1.00 0.00 H new ATOM 727 N ASP A 59 -11.835 -2.846 6.520 1.00 0.00 N ATOM 728 CA ASP A 59 -12.465 -1.613 7.012 1.00 0.00 C ATOM 729 C ASP A 59 -11.648 -0.382 6.598 1.00 0.00 C ATOM 730 O ASP A 59 -12.181 0.713 6.419 1.00 0.00 O ATOM 731 CB ASP A 59 -12.606 -1.670 8.536 1.00 0.00 C ATOM 732 CG ASP A 59 -12.933 -0.327 9.168 1.00 0.00 C ATOM 733 OD1 ASP A 59 -14.086 0.142 9.039 1.00 0.00 O ATOM 734 OD2 ASP A 59 -12.037 0.252 9.820 1.00 0.00 O ATOM 0 H ASP A 59 -11.595 -3.517 7.250 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.456 -1.529 6.567 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.389 -2.383 8.794 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.677 -2.047 8.964 1.00 0.00 H new ATOM 739 N THR A 60 -10.354 -0.587 6.415 1.00 0.00 N ATOM 740 CA THR A 60 -9.442 0.474 6.019 1.00 0.00 C ATOM 741 C THR A 60 -9.052 0.311 4.541 1.00 0.00 C ATOM 742 O THR A 60 -8.094 0.911 4.059 1.00 0.00 O ATOM 743 CB THR A 60 -8.177 0.463 6.903 1.00 0.00 C ATOM 744 OG1 THR A 60 -8.546 0.184 8.261 1.00 0.00 O ATOM 745 CG2 THR A 60 -7.456 1.802 6.848 1.00 0.00 C ATOM 0 H THR A 60 -9.905 -1.495 6.537 1.00 0.00 H new ATOM 0 HA THR A 60 -9.948 1.430 6.151 1.00 0.00 H new ATOM 0 HB THR A 60 -7.505 -0.309 6.527 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.743 0.175 8.823 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.569 1.764 7.480 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.160 2.014 5.821 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.122 2.589 7.204 1.00 0.00 H new ATOM 753 N ALA A 61 -9.788 -0.545 3.845 1.00 0.00 N ATOM 754 CA ALA A 61 -9.555 -0.811 2.432 1.00 0.00 C ATOM 755 C ALA A 61 -10.543 -0.010 1.552 1.00 0.00 C ATOM 756 O ALA A 61 -11.426 0.672 2.074 1.00 0.00 O ATOM 757 CB ALA A 61 -9.671 -2.312 2.206 1.00 0.00 C ATOM 0 H ALA A 61 -10.563 -1.074 4.244 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.556 -0.485 2.143 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.500 -2.536 1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.928 -2.830 2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.668 -2.647 2.491 1.00 0.00 H new ATOM 763 N PRO A 62 -10.396 -0.084 0.197 1.00 0.00 N ATOM 764 CA PRO A 62 -11.115 0.775 -0.779 1.00 0.00 C ATOM 765 C PRO A 62 -12.639 0.680 -0.759 1.00 0.00 C ATOM 766 O PRO A 62 -13.294 1.404 -1.503 1.00 0.00 O ATOM 767 CB PRO A 62 -10.614 0.285 -2.139 1.00 0.00 C ATOM 768 CG PRO A 62 -10.115 -1.084 -1.877 1.00 0.00 C ATOM 769 CD PRO A 62 -9.496 -1.013 -0.517 1.00 0.00 C ATOM 0 HA PRO A 62 -10.912 1.819 -0.541 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.414 0.281 -2.879 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.824 0.928 -2.527 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.926 -1.812 -1.905 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -9.386 -1.389 -2.628 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.459 -1.991 -0.037 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.473 -0.638 -0.556 1.00 0.00 H new ATOM 822 N GLY A 66 -14.983 6.665 -3.052 1.00 0.00 N ATOM 823 CA GLY A 66 -15.044 8.106 -2.932 1.00 0.00 C ATOM 824 C GLY A 66 -15.679 8.739 -4.151 1.00 0.00 C ATOM 825 O GLY A 66 -16.899 8.706 -4.317 1.00 0.00 O ATOM 0 HA2 GLY A 66 -15.615 8.374 -2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.038 8.504 -2.797 1.00 0.00 H new ATOM 829 N ARG A 67 -14.846 9.292 -5.017 1.00 0.00 N ATOM 830 CA ARG A 67 -15.309 9.892 -6.258 1.00 0.00 C ATOM 831 C ARG A 67 -14.909 9.031 -7.450 1.00 0.00 C ATOM 832 O ARG A 67 -13.786 9.130 -7.937 1.00 0.00 O ATOM 833 CB ARG A 67 -14.731 11.298 -6.423 1.00 0.00 C ATOM 834 CG ARG A 67 -15.259 12.312 -5.422 1.00 0.00 C ATOM 835 CD ARG A 67 -16.704 12.690 -5.703 1.00 0.00 C ATOM 836 NE ARG A 67 -17.642 11.637 -5.316 1.00 0.00 N ATOM 837 CZ ARG A 67 -18.624 11.184 -6.098 1.00 0.00 C ATOM 838 NH1 ARG A 67 -18.744 11.626 -7.345 1.00 0.00 N ATOM 839 NH2 ARG A 67 -19.463 10.268 -5.630 1.00 0.00 N ATOM 0 H ARG A 67 -13.836 9.338 -4.881 1.00 0.00 H new ATOM 0 HA ARG A 67 -16.396 9.958 -6.216 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -13.646 11.245 -6.331 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -14.949 11.652 -7.431 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -15.181 11.902 -4.415 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -14.638 13.207 -5.451 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -16.948 13.606 -5.165 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -16.821 12.904 -6.765 1.00 0.00 H new ATOM 0 HE ARG A 67 -17.539 11.222 -4.390 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -18.084 12.314 -7.708 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -19.496 11.277 -7.940 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -19.355 9.915 -4.679 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -20.216 9.917 -6.221 1.00 0.00 H new ATOM 853 N LYS A 68 -15.830 8.180 -7.901 1.00 0.00 N ATOM 854 CA LYS A 68 -15.620 7.311 -9.061 1.00 0.00 C ATOM 855 C LYS A 68 -14.998 8.071 -10.232 1.00 0.00 C ATOM 856 O LYS A 68 -14.207 7.524 -10.996 1.00 0.00 O ATOM 857 CB LYS A 68 -16.962 6.748 -9.515 1.00 0.00 C ATOM 858 CG LYS A 68 -16.832 5.467 -10.299 1.00 0.00 C ATOM 859 CD LYS A 68 -16.336 4.348 -9.411 1.00 0.00 C ATOM 860 CE LYS A 68 -16.048 3.093 -10.211 1.00 0.00 C ATOM 861 NZ LYS A 68 -17.233 2.663 -10.996 1.00 0.00 N ATOM 0 H LYS A 68 -16.748 8.073 -7.470 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.939 6.515 -8.761 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.589 6.570 -8.641 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.473 7.491 -10.127 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.797 5.197 -10.728 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -16.142 5.612 -11.131 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.431 4.666 -8.893 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -17.082 4.131 -8.646 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.210 3.274 -10.885 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.747 2.292 -9.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.061 1.718 -11.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.067 2.630 -10.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.402 3.339 -11.768 1.00 0.00 H new ATOM 875 N GLU A 69 -15.392 9.328 -10.356 1.00 0.00 N ATOM 876 CA GLU A 69 -14.913 10.225 -11.400 1.00 0.00 C ATOM 877 C GLU A 69 -13.384 10.242 -11.489 1.00 0.00 C ATOM 878 O GLU A 69 -12.816 10.262 -12.580 1.00 0.00 O ATOM 879 CB GLU A 69 -15.432 11.625 -11.095 1.00 0.00 C ATOM 880 CG GLU A 69 -16.897 11.611 -10.711 1.00 0.00 C ATOM 881 CD GLU A 69 -17.401 12.960 -10.250 1.00 0.00 C ATOM 882 OE1 GLU A 69 -17.176 13.306 -9.069 1.00 0.00 O ATOM 883 OE2 GLU A 69 -18.027 13.674 -11.059 1.00 0.00 O ATOM 0 H GLU A 69 -16.065 9.763 -9.725 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.282 9.872 -12.363 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.848 12.060 -10.284 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.291 12.263 -11.968 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -17.488 11.282 -11.566 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.052 10.881 -9.917 1.00 0.00 H new ATOM 890 N ILE A 70 -12.721 10.227 -10.341 1.00 0.00 N ATOM 891 CA ILE A 70 -11.267 10.328 -10.301 1.00 0.00 C ATOM 892 C ILE A 70 -10.597 8.975 -10.538 1.00 0.00 C ATOM 893 O ILE A 70 -9.432 8.921 -10.930 1.00 0.00 O ATOM 894 CB ILE A 70 -10.754 10.898 -8.965 1.00 0.00 C ATOM 895 CG1 ILE A 70 -9.280 11.281 -9.112 1.00 0.00 C ATOM 896 CG2 ILE A 70 -10.945 9.896 -7.832 1.00 0.00 C ATOM 897 CD1 ILE A 70 -8.528 11.313 -7.808 1.00 0.00 C ATOM 0 H ILE A 70 -13.165 10.146 -9.426 1.00 0.00 H new ATOM 0 HA ILE A 70 -11.002 11.014 -11.105 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.332 11.787 -8.713 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.795 10.572 -9.783 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.214 12.262 -9.583 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.574 10.325 -6.901 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -12.005 9.663 -7.727 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.393 8.983 -8.056 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -7.491 11.592 -7.993 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.987 12.043 -7.141 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.561 10.327 -7.345 1.00 0.00 H new ATOM 909 N TRP A 71 -11.339 7.894 -10.289 1.00 0.00 N ATOM 910 CA TRP A 71 -10.792 6.533 -10.301 1.00 0.00 C ATOM 911 C TRP A 71 -9.932 6.277 -11.534 1.00 0.00 C ATOM 912 O TRP A 71 -8.875 5.649 -11.448 1.00 0.00 O ATOM 913 CB TRP A 71 -11.935 5.513 -10.270 1.00 0.00 C ATOM 914 CG TRP A 71 -11.853 4.510 -9.157 1.00 0.00 C ATOM 915 CD1 TRP A 71 -12.887 4.107 -8.363 1.00 0.00 C ATOM 916 CD2 TRP A 71 -10.695 3.789 -8.703 1.00 0.00 C ATOM 917 NE1 TRP A 71 -12.451 3.180 -7.452 1.00 0.00 N ATOM 918 CE2 TRP A 71 -11.110 2.973 -7.634 1.00 0.00 C ATOM 919 CE3 TRP A 71 -9.350 3.750 -9.090 1.00 0.00 C ATOM 920 CZ2 TRP A 71 -10.236 2.135 -6.950 1.00 0.00 C ATOM 921 CZ3 TRP A 71 -8.482 2.915 -8.408 1.00 0.00 C ATOM 922 CH2 TRP A 71 -8.929 2.119 -7.348 1.00 0.00 C ATOM 0 H TRP A 71 -12.335 7.936 -10.073 1.00 0.00 H new ATOM 0 HA TRP A 71 -10.163 6.426 -9.417 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -12.880 6.050 -10.188 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -11.953 4.980 -11.220 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -13.902 4.466 -8.441 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.032 2.719 -6.752 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -8.996 4.361 -9.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -10.579 1.518 -6.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -7.443 2.877 -8.699 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -8.227 1.479 -6.834 1.00 0.00 H new ATOM 933 N ASP A 72 -10.388 6.784 -12.670 1.00 0.00 N ATOM 934 CA ASP A 72 -9.685 6.605 -13.937 1.00 0.00 C ATOM 935 C ASP A 72 -8.245 7.128 -13.862 1.00 0.00 C ATOM 936 O ASP A 72 -7.324 6.521 -14.411 1.00 0.00 O ATOM 937 CB ASP A 72 -10.437 7.321 -15.057 1.00 0.00 C ATOM 938 CG ASP A 72 -9.877 7.000 -16.427 1.00 0.00 C ATOM 939 OD1 ASP A 72 -10.258 5.957 -16.998 1.00 0.00 O ATOM 940 OD2 ASP A 72 -9.064 7.791 -16.946 1.00 0.00 O ATOM 0 H ASP A 72 -11.248 7.327 -12.742 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.645 5.536 -14.147 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.489 7.039 -15.023 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.390 8.397 -14.892 1.00 0.00 H new ATOM 945 N ALA A 73 -8.048 8.228 -13.140 1.00 0.00 N ATOM 946 CA ALA A 73 -6.737 8.856 -13.058 1.00 0.00 C ATOM 947 C ALA A 73 -5.850 8.099 -12.084 1.00 0.00 C ATOM 948 O ALA A 73 -4.624 8.106 -12.201 1.00 0.00 O ATOM 949 CB ALA A 73 -6.868 10.313 -12.637 1.00 0.00 C ATOM 0 H ALA A 73 -8.778 8.700 -12.606 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.276 8.824 -14.045 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.878 10.766 -12.581 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.472 10.850 -13.368 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.348 10.368 -11.660 1.00 0.00 H new ATOM 955 N LEU A 74 -6.479 7.427 -11.136 1.00 0.00 N ATOM 956 CA LEU A 74 -5.754 6.688 -10.116 1.00 0.00 C ATOM 957 C LEU A 74 -5.084 5.464 -10.717 1.00 0.00 C ATOM 958 O LEU A 74 -3.903 5.199 -10.482 1.00 0.00 O ATOM 959 CB LEU A 74 -6.698 6.285 -8.988 1.00 0.00 C ATOM 960 CG LEU A 74 -7.493 7.443 -8.386 1.00 0.00 C ATOM 961 CD1 LEU A 74 -8.347 6.977 -7.218 1.00 0.00 C ATOM 962 CD2 LEU A 74 -6.547 8.552 -7.961 1.00 0.00 C ATOM 0 H LEU A 74 -7.494 7.378 -11.051 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.977 7.333 -9.705 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.397 5.538 -9.365 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.118 5.809 -8.198 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.169 7.831 -9.147 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.900 7.823 -6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.048 6.216 -7.561 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.706 6.557 -6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.120 9.375 -7.533 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.849 8.169 -7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.992 8.909 -8.829 1.00 0.00 H new ATOM 974 N LYS A 75 -5.841 4.737 -11.518 1.00 0.00 N ATOM 975 CA LYS A 75 -5.314 3.573 -12.210 1.00 0.00 C ATOM 976 C LYS A 75 -4.382 3.994 -13.341 1.00 0.00 C ATOM 977 O LYS A 75 -3.493 3.239 -13.735 1.00 0.00 O ATOM 978 CB LYS A 75 -6.458 2.715 -12.739 1.00 0.00 C ATOM 979 CG LYS A 75 -7.601 3.525 -13.310 1.00 0.00 C ATOM 980 CD LYS A 75 -8.801 2.654 -13.660 1.00 0.00 C ATOM 981 CE LYS A 75 -9.373 1.927 -12.449 1.00 0.00 C ATOM 982 NZ LYS A 75 -8.613 0.691 -12.106 1.00 0.00 N ATOM 0 H LYS A 75 -6.824 4.932 -11.706 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.735 2.979 -11.503 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.075 2.047 -13.510 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.835 2.087 -11.932 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.903 4.284 -12.589 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.262 4.050 -14.203 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.578 3.275 -14.106 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.507 1.922 -14.412 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.369 2.600 -11.592 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.413 1.666 -12.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.269 -0.114 -12.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.903 0.505 -12.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.137 0.819 -11.190 1.00 0.00 H new ATOM 996 N ALA A 76 -4.589 5.201 -13.865 1.00 0.00 N ATOM 997 CA ALA A 76 -3.688 5.755 -14.866 1.00 0.00 C ATOM 998 C ALA A 76 -2.326 6.065 -14.253 1.00 0.00 C ATOM 999 O ALA A 76 -1.289 5.834 -14.875 1.00 0.00 O ATOM 1000 CB ALA A 76 -4.280 7.006 -15.493 1.00 0.00 C ATOM 0 H ALA A 76 -5.369 5.809 -13.613 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.554 5.008 -15.648 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.589 7.402 -16.237 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.227 6.759 -15.972 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.449 7.756 -14.720 1.00 0.00 H new ATOM 1006 N ALA A 77 -2.328 6.584 -13.028 1.00 0.00 N ATOM 1007 CA ALA A 77 -1.081 6.851 -12.326 1.00 0.00 C ATOM 1008 C ALA A 77 -0.356 5.556 -12.022 1.00 0.00 C ATOM 1009 O ALA A 77 0.846 5.449 -12.242 1.00 0.00 O ATOM 1010 CB ALA A 77 -1.320 7.622 -11.044 1.00 0.00 C ATOM 0 H ALA A 77 -3.171 6.825 -12.507 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.461 7.464 -12.980 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.368 7.804 -10.546 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.796 8.575 -11.276 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.969 7.043 -10.387 1.00 0.00 H new ATOM 1016 N ALA A 78 -1.095 4.587 -11.492 1.00 0.00 N ATOM 1017 CA ALA A 78 -0.580 3.239 -11.313 1.00 0.00 C ATOM 1018 C ALA A 78 0.052 2.732 -12.601 1.00 0.00 C ATOM 1019 O ALA A 78 1.109 2.122 -12.574 1.00 0.00 O ATOM 1020 CB ALA A 78 -1.692 2.300 -10.864 1.00 0.00 C ATOM 0 H ALA A 78 -2.057 4.714 -11.178 1.00 0.00 H new ATOM 0 HA ALA A 78 0.187 3.265 -10.539 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.290 1.295 -10.735 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.104 2.650 -9.918 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.479 2.281 -11.618 1.00 0.00 H new ATOM 1026 N HIS A 79 -0.583 3.048 -13.725 1.00 0.00 N ATOM 1027 CA HIS A 79 -0.114 2.594 -15.033 1.00 0.00 C ATOM 1028 C HIS A 79 1.272 3.159 -15.321 1.00 0.00 C ATOM 1029 O HIS A 79 2.172 2.436 -15.745 1.00 0.00 O ATOM 1030 CB HIS A 79 -1.101 3.029 -16.125 1.00 0.00 C ATOM 1031 CG HIS A 79 -0.709 2.620 -17.515 1.00 0.00 C ATOM 1032 ND1 HIS A 79 -1.283 1.560 -18.185 1.00 0.00 N ATOM 1033 CD2 HIS A 79 0.188 3.160 -18.374 1.00 0.00 C ATOM 1034 CE1 HIS A 79 -0.752 1.467 -19.390 1.00 0.00 C ATOM 1035 NE2 HIS A 79 0.141 2.427 -19.528 1.00 0.00 N ATOM 0 H HIS A 79 -1.427 3.619 -13.758 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.052 1.506 -15.027 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -2.082 2.610 -15.899 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.203 4.114 -16.094 1.00 0.00 H new ATOM 0 HD2 HIS A 79 0.823 4.012 -18.183 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -1.006 0.729 -20.137 1.00 0.00 H new ATOM 0 HE2 HIS A 79 0.706 2.596 -20.361 1.00 0.00 H new ATOM 1044 N ALA A 80 1.429 4.456 -15.099 1.00 0.00 N ATOM 1045 CA ALA A 80 2.715 5.101 -15.275 1.00 0.00 C ATOM 1046 C ALA A 80 3.722 4.569 -14.269 1.00 0.00 C ATOM 1047 O ALA A 80 4.798 4.107 -14.644 1.00 0.00 O ATOM 1048 CB ALA A 80 2.581 6.602 -15.136 1.00 0.00 C ATOM 0 H ALA A 80 0.680 5.079 -14.797 1.00 0.00 H new ATOM 0 HA ALA A 80 3.074 4.875 -16.279 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.557 7.068 -15.271 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.891 6.977 -15.892 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.198 6.843 -14.144 1.00 0.00 H new ATOM 1054 N PHE A 81 3.359 4.626 -12.989 1.00 0.00 N ATOM 1055 CA PHE A 81 4.230 4.141 -11.923 1.00 0.00 C ATOM 1056 C PHE A 81 4.670 2.684 -12.174 1.00 0.00 C ATOM 1057 O PHE A 81 5.774 2.291 -11.794 1.00 0.00 O ATOM 1058 CB PHE A 81 3.572 4.311 -10.535 1.00 0.00 C ATOM 1059 CG PHE A 81 4.203 3.462 -9.462 1.00 0.00 C ATOM 1060 CD1 PHE A 81 5.555 3.571 -9.189 1.00 0.00 C ATOM 1061 CD2 PHE A 81 3.459 2.535 -8.749 1.00 0.00 C ATOM 1062 CE1 PHE A 81 6.148 2.768 -8.240 1.00 0.00 C ATOM 1063 CE2 PHE A 81 4.047 1.737 -7.790 1.00 0.00 C ATOM 1064 CZ PHE A 81 5.394 1.849 -7.540 1.00 0.00 C ATOM 0 H PHE A 81 2.468 5.003 -12.666 1.00 0.00 H new ATOM 0 HA PHE A 81 5.131 4.755 -11.929 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.631 5.359 -10.240 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.514 4.060 -10.610 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.152 4.294 -9.726 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.402 2.436 -8.948 1.00 0.00 H new ATOM 0 HE1 PHE A 81 7.206 2.858 -8.043 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.451 1.026 -7.237 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.861 1.219 -6.797 1.00 0.00 H new ATOM 1074 N GLU A 82 3.825 1.892 -12.837 1.00 0.00 N ATOM 1075 CA GLU A 82 4.194 0.528 -13.217 1.00 0.00 C ATOM 1076 C GLU A 82 5.463 0.518 -14.058 1.00 0.00 C ATOM 1077 O GLU A 82 6.338 -0.329 -13.876 1.00 0.00 O ATOM 1078 CB GLU A 82 3.069 -0.145 -13.998 1.00 0.00 C ATOM 1079 CG GLU A 82 1.906 -0.611 -13.141 1.00 0.00 C ATOM 1080 CD GLU A 82 0.912 -1.439 -13.924 1.00 0.00 C ATOM 1081 OE1 GLU A 82 0.387 -0.941 -14.939 1.00 0.00 O ATOM 1082 OE2 GLU A 82 0.661 -2.599 -13.532 1.00 0.00 O ATOM 0 H GLU A 82 2.885 2.170 -13.120 1.00 0.00 H new ATOM 0 HA GLU A 82 4.372 -0.027 -12.296 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.696 0.552 -14.748 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.477 -1.002 -14.534 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.286 -1.198 -12.305 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.399 0.256 -12.717 1.00 0.00 H new ATOM 1089 N SER A 83 5.565 1.478 -14.963 1.00 0.00 N ATOM 1090 CA SER A 83 6.734 1.613 -15.815 1.00 0.00 C ATOM 1091 C SER A 83 7.823 2.411 -15.104 1.00 0.00 C ATOM 1092 O SER A 83 8.717 2.965 -15.743 1.00 0.00 O ATOM 1093 CB SER A 83 6.344 2.297 -17.123 1.00 0.00 C ATOM 1094 OG SER A 83 5.269 1.614 -17.751 1.00 0.00 O ATOM 0 H SER A 83 4.844 2.181 -15.127 1.00 0.00 H new ATOM 0 HA SER A 83 7.126 0.620 -16.036 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.058 3.330 -16.927 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.203 2.326 -17.793 1.00 0.00 H new ATOM 0 HG SER A 83 5.035 2.070 -18.586 1.00 0.00 H new ATOM 1100 N ASN A 84 7.721 2.466 -13.771 1.00 0.00 N ATOM 1101 CA ASN A 84 8.665 3.196 -12.922 1.00 0.00 C ATOM 1102 C ASN A 84 8.469 4.701 -13.088 1.00 0.00 C ATOM 1103 O ASN A 84 9.265 5.507 -12.606 1.00 0.00 O ATOM 1104 CB ASN A 84 10.114 2.809 -13.245 1.00 0.00 C ATOM 1105 CG ASN A 84 11.116 3.332 -12.229 1.00 0.00 C ATOM 1106 OD1 ASN A 84 10.804 3.476 -11.046 1.00 0.00 O ATOM 1107 ND2 ASN A 84 12.326 3.613 -12.683 1.00 0.00 N ATOM 0 H ASN A 84 6.977 2.002 -13.250 1.00 0.00 H new ATOM 0 HA ASN A 84 8.467 2.925 -11.885 1.00 0.00 H new ATOM 0 HB2 ASN A 84 10.190 1.723 -13.294 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.374 3.192 -14.232 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.041 3.963 -12.046 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.544 3.480 -13.670 1.00 0.00 H new ATOM 1114 N ASP A 85 7.404 5.080 -13.772 1.00 0.00 N ATOM 1115 CA ASP A 85 7.124 6.488 -14.002 1.00 0.00 C ATOM 1116 C ASP A 85 6.462 7.106 -12.782 1.00 0.00 C ATOM 1117 O ASP A 85 5.237 7.219 -12.702 1.00 0.00 O ATOM 1118 CB ASP A 85 6.238 6.675 -15.226 1.00 0.00 C ATOM 1119 CG ASP A 85 6.591 7.940 -15.976 1.00 0.00 C ATOM 1120 OD1 ASP A 85 6.785 8.986 -15.322 1.00 0.00 O ATOM 1121 OD2 ASP A 85 6.695 7.889 -17.220 1.00 0.00 O ATOM 0 H ASP A 85 6.722 4.438 -14.176 1.00 0.00 H new ATOM 0 HA ASP A 85 8.073 6.993 -14.183 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.344 5.816 -15.888 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.193 6.713 -14.918 1.00 0.00 H new ATOM 1126 N HIS A 86 7.287 7.506 -11.830 1.00 0.00 N ATOM 1127 CA HIS A 86 6.802 8.107 -10.603 1.00 0.00 C ATOM 1128 C HIS A 86 6.285 9.520 -10.851 1.00 0.00 C ATOM 1129 O HIS A 86 5.257 9.915 -10.302 1.00 0.00 O ATOM 1130 CB HIS A 86 7.904 8.129 -9.541 1.00 0.00 C ATOM 1131 CG HIS A 86 7.481 8.774 -8.258 1.00 0.00 C ATOM 1132 ND1 HIS A 86 7.683 10.109 -7.994 1.00 0.00 N ATOM 1133 CD2 HIS A 86 6.840 8.269 -7.177 1.00 0.00 C ATOM 1134 CE1 HIS A 86 7.181 10.404 -6.815 1.00 0.00 C ATOM 1135 NE2 HIS A 86 6.663 9.308 -6.296 1.00 0.00 N ATOM 0 H HIS A 86 8.302 7.424 -11.886 1.00 0.00 H new ATOM 0 HA HIS A 86 5.975 7.498 -10.239 1.00 0.00 H new ATOM 0 HB2 HIS A 86 8.222 7.107 -9.337 1.00 0.00 H new ATOM 0 HB3 HIS A 86 8.770 8.659 -9.937 1.00 0.00 H new ATOM 0 HD2 HIS A 86 6.528 7.245 -7.035 1.00 0.00 H new ATOM 0 HE1 HIS A 86 7.191 11.379 -6.350 1.00 0.00 H new ATOM 0 HE2 HIS A 86 6.205 9.242 -5.387 1.00 0.00 H new ATOM 1144 N GLU A 87 7.014 10.275 -11.670 1.00 0.00 N ATOM 1145 CA GLU A 87 6.679 11.674 -11.927 1.00 0.00 C ATOM 1146 C GLU A 87 5.301 11.805 -12.557 1.00 0.00 C ATOM 1147 O GLU A 87 4.518 12.660 -12.154 1.00 0.00 O ATOM 1148 CB GLU A 87 7.742 12.334 -12.804 1.00 0.00 C ATOM 1149 CG GLU A 87 8.020 11.590 -14.096 1.00 0.00 C ATOM 1150 CD GLU A 87 9.217 12.137 -14.828 1.00 0.00 C ATOM 1151 OE1 GLU A 87 10.359 11.783 -14.457 1.00 0.00 O ATOM 1152 OE2 GLU A 87 9.029 12.919 -15.780 1.00 0.00 O ATOM 0 H GLU A 87 7.840 9.942 -12.167 1.00 0.00 H new ATOM 0 HA GLU A 87 6.657 12.192 -10.968 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.424 13.349 -13.042 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.669 12.415 -12.236 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.183 10.535 -13.876 1.00 0.00 H new ATOM 0 HG3 GLU A 87 7.144 11.650 -14.742 1.00 0.00 H new ATOM 1159 N LEU A 88 5.002 10.948 -13.530 1.00 0.00 N ATOM 1160 CA LEU A 88 3.682 10.925 -14.139 1.00 0.00 C ATOM 1161 C LEU A 88 2.608 10.733 -13.087 1.00 0.00 C ATOM 1162 O LEU A 88 1.669 11.518 -12.997 1.00 0.00 O ATOM 1163 CB LEU A 88 3.576 9.810 -15.175 1.00 0.00 C ATOM 1164 CG LEU A 88 3.869 10.222 -16.614 1.00 0.00 C ATOM 1165 CD1 LEU A 88 3.520 9.090 -17.568 1.00 0.00 C ATOM 1166 CD2 LEU A 88 3.103 11.487 -16.975 1.00 0.00 C ATOM 0 H LEU A 88 5.656 10.264 -13.910 1.00 0.00 H new ATOM 0 HA LEU A 88 3.534 11.885 -14.634 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.264 9.012 -14.896 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.570 9.392 -15.132 1.00 0.00 H new ATOM 0 HG LEU A 88 4.934 10.433 -16.705 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.734 9.398 -18.592 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.115 8.210 -17.322 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.461 8.850 -17.475 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.325 11.765 -18.005 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.033 11.307 -16.870 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.402 12.296 -16.308 1.00 0.00 H new ATOM 1178 N ALA A 89 2.767 9.698 -12.278 1.00 0.00 N ATOM 1179 CA ALA A 89 1.773 9.358 -11.278 1.00 0.00 C ATOM 1180 C ALA A 89 1.588 10.479 -10.259 1.00 0.00 C ATOM 1181 O ALA A 89 0.458 10.873 -9.986 1.00 0.00 O ATOM 1182 CB ALA A 89 2.132 8.044 -10.595 1.00 0.00 C ATOM 0 H ALA A 89 3.577 9.079 -12.296 1.00 0.00 H new ATOM 0 HA ALA A 89 0.818 9.231 -11.787 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.376 7.804 -9.848 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.174 7.247 -11.338 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.104 8.139 -10.110 1.00 0.00 H new ATOM 1188 N GLN A 90 2.682 11.022 -9.729 1.00 0.00 N ATOM 1189 CA GLN A 90 2.575 12.068 -8.710 1.00 0.00 C ATOM 1190 C GLN A 90 2.030 13.358 -9.319 1.00 0.00 C ATOM 1191 O GLN A 90 1.384 14.153 -8.633 1.00 0.00 O ATOM 1192 CB GLN A 90 3.921 12.304 -7.992 1.00 0.00 C ATOM 1193 CG GLN A 90 5.032 12.916 -8.840 1.00 0.00 C ATOM 1194 CD GLN A 90 5.067 14.436 -8.782 1.00 0.00 C ATOM 1195 OE1 GLN A 90 4.471 15.120 -9.611 1.00 0.00 O ATOM 1196 NE2 GLN A 90 5.762 14.977 -7.794 1.00 0.00 N ATOM 0 H GLN A 90 3.636 10.763 -9.981 1.00 0.00 H new ATOM 0 HA GLN A 90 1.868 11.728 -7.953 1.00 0.00 H new ATOM 0 HB2 GLN A 90 3.744 12.955 -7.136 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.274 11.350 -7.600 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.993 12.525 -8.505 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.904 12.602 -9.876 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.245 14.379 -7.123 1.00 0.00 H new ATOM 0 HE22 GLN A 90 5.815 15.992 -7.703 1.00 0.00 H new ATOM 1205 N ALA A 91 2.275 13.552 -10.611 1.00 0.00 N ATOM 1206 CA ALA A 91 1.752 14.711 -11.317 1.00 0.00 C ATOM 1207 C ALA A 91 0.265 14.541 -11.578 1.00 0.00 C ATOM 1208 O ALA A 91 -0.487 15.513 -11.595 1.00 0.00 O ATOM 1209 CB ALA A 91 2.500 14.934 -12.624 1.00 0.00 C ATOM 0 H ALA A 91 2.832 12.921 -11.188 1.00 0.00 H new ATOM 0 HA ALA A 91 1.899 15.590 -10.689 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.090 15.806 -13.133 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.557 15.099 -12.415 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.389 14.057 -13.261 1.00 0.00 H new ATOM 1215 N ILE A 92 -0.155 13.301 -11.783 1.00 0.00 N ATOM 1216 CA ILE A 92 -1.561 12.991 -11.970 1.00 0.00 C ATOM 1217 C ILE A 92 -2.331 13.209 -10.668 1.00 0.00 C ATOM 1218 O ILE A 92 -3.285 13.987 -10.625 1.00 0.00 O ATOM 1219 CB ILE A 92 -1.742 11.537 -12.452 1.00 0.00 C ATOM 1220 CG1 ILE A 92 -1.235 11.386 -13.891 1.00 0.00 C ATOM 1221 CG2 ILE A 92 -3.193 11.111 -12.351 1.00 0.00 C ATOM 1222 CD1 ILE A 92 -1.363 9.981 -14.441 1.00 0.00 C ATOM 0 H ILE A 92 0.463 12.491 -11.824 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.958 13.661 -12.733 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.153 10.886 -11.805 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.788 12.070 -14.535 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.188 11.688 -13.931 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.295 10.082 -12.697 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.521 11.180 -11.314 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.808 11.764 -12.970 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.984 9.954 -15.463 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.786 9.294 -13.822 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.411 9.682 -14.435 1.00 0.00 H new ATOM 1234 N ILE A 93 -1.898 12.517 -9.614 1.00 0.00 N ATOM 1235 CA ILE A 93 -2.511 12.636 -8.293 1.00 0.00 C ATOM 1236 C ILE A 93 -2.626 14.098 -7.867 1.00 0.00 C ATOM 1237 O ILE A 93 -3.731 14.625 -7.708 1.00 0.00 O ATOM 1238 CB ILE A 93 -1.686 11.866 -7.226 1.00 0.00 C ATOM 1239 CG1 ILE A 93 -1.396 10.436 -7.693 1.00 0.00 C ATOM 1240 CG2 ILE A 93 -2.401 11.846 -5.885 1.00 0.00 C ATOM 1241 CD1 ILE A 93 -2.575 9.755 -8.344 1.00 0.00 C ATOM 0 H ILE A 93 -1.117 11.862 -9.652 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.509 12.203 -8.364 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.739 12.391 -7.098 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.565 10.456 -8.398 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.073 9.843 -6.837 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.798 11.300 -5.159 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.550 12.868 -5.537 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.368 11.356 -5.996 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.291 8.747 -8.647 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.401 9.701 -7.635 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.885 10.324 -9.221 1.00 0.00 H new ATOM 1253 N ASP A 94 -1.480 14.761 -7.743 1.00 0.00 N ATOM 1254 CA ASP A 94 -1.428 16.131 -7.237 1.00 0.00 C ATOM 1255 C ASP A 94 -1.996 17.117 -8.252 1.00 0.00 C ATOM 1256 O ASP A 94 -2.393 18.229 -7.904 1.00 0.00 O ATOM 1257 CB ASP A 94 0.019 16.489 -6.869 1.00 0.00 C ATOM 1258 CG ASP A 94 0.214 17.949 -6.495 1.00 0.00 C ATOM 1259 OD1 ASP A 94 -0.157 18.346 -5.368 1.00 0.00 O ATOM 1260 OD2 ASP A 94 0.767 18.702 -7.324 1.00 0.00 O ATOM 0 H ASP A 94 -0.570 14.370 -7.987 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.047 16.198 -6.342 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.337 15.864 -6.034 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.668 16.250 -7.711 1.00 0.00 H new ATOM 1265 N GLY A 95 -2.082 16.684 -9.506 1.00 0.00 N ATOM 1266 CA GLY A 95 -2.603 17.543 -10.548 1.00 0.00 C ATOM 1267 C GLY A 95 -4.096 17.764 -10.412 1.00 0.00 C ATOM 1268 O GLY A 95 -4.666 18.633 -11.074 1.00 0.00 O ATOM 0 H GLY A 95 -1.800 15.754 -9.817 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.090 18.504 -10.515 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.390 17.102 -11.521 1.00 0.00 H new ATOM 1272 N ALA A 96 -4.728 16.981 -9.547 1.00 0.00 N ATOM 1273 CA ALA A 96 -6.161 17.092 -9.323 1.00 0.00 C ATOM 1274 C ALA A 96 -6.456 17.692 -7.951 1.00 0.00 C ATOM 1275 O ALA A 96 -7.607 17.716 -7.521 1.00 0.00 O ATOM 1276 CB ALA A 96 -6.819 15.722 -9.451 1.00 0.00 C ATOM 0 H ALA A 96 -4.269 16.261 -8.989 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.574 17.758 -10.080 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.892 15.816 -9.281 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.643 15.326 -10.451 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.393 15.043 -8.712 1.00 0.00 H new ATOM 1282 N ASN A 97 -5.404 18.174 -7.275 1.00 0.00 N ATOM 1283 CA ASN A 97 -5.496 18.661 -5.887 1.00 0.00 C ATOM 1284 C ASN A 97 -5.658 17.492 -4.924 1.00 0.00 C ATOM 1285 O ASN A 97 -5.839 17.675 -3.721 1.00 0.00 O ATOM 1286 CB ASN A 97 -6.628 19.679 -5.686 1.00 0.00 C ATOM 1287 CG ASN A 97 -6.229 21.087 -6.090 1.00 0.00 C ATOM 1288 OD1 ASN A 97 -5.737 21.864 -5.268 1.00 0.00 O ATOM 1289 ND2 ASN A 97 -6.422 21.433 -7.354 1.00 0.00 N ATOM 0 H ASN A 97 -4.466 18.238 -7.672 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.562 19.181 -5.673 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -7.496 19.371 -6.269 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.930 19.678 -4.639 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.161 22.366 -7.673 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.831 20.766 -8.008 1.00 0.00 H new ATOM 1296 N ILE A 98 -5.596 16.293 -5.476 1.00 0.00 N ATOM 1297 CA ILE A 98 -5.575 15.076 -4.691 1.00 0.00 C ATOM 1298 C ILE A 98 -4.140 14.803 -4.248 1.00 0.00 C ATOM 1299 O ILE A 98 -3.213 14.938 -5.037 1.00 0.00 O ATOM 1300 CB ILE A 98 -6.130 13.874 -5.504 1.00 0.00 C ATOM 1301 CG1 ILE A 98 -7.660 13.838 -5.449 1.00 0.00 C ATOM 1302 CG2 ILE A 98 -5.554 12.556 -5.020 1.00 0.00 C ATOM 1303 CD1 ILE A 98 -8.341 14.871 -6.315 1.00 0.00 C ATOM 0 H ILE A 98 -5.559 16.138 -6.483 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.215 15.202 -3.818 1.00 0.00 H new ATOM 0 HB ILE A 98 -5.821 14.014 -6.540 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.999 12.847 -5.752 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.978 13.981 -4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.966 11.739 -5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.469 12.571 -5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.812 12.409 -3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -9.422 14.774 -6.215 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.036 15.869 -6.000 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -8.057 14.717 -7.356 1.00 0.00 H new ATOM 1315 N THR A 99 -3.941 14.453 -2.989 1.00 0.00 N ATOM 1316 CA THR A 99 -2.587 14.226 -2.498 1.00 0.00 C ATOM 1317 C THR A 99 -2.515 13.014 -1.581 1.00 0.00 C ATOM 1318 O THR A 99 -3.541 12.484 -1.149 1.00 0.00 O ATOM 1319 CB THR A 99 -2.034 15.464 -1.764 1.00 0.00 C ATOM 1320 OG1 THR A 99 -2.992 15.942 -0.809 1.00 0.00 O ATOM 1321 CG2 THR A 99 -1.698 16.577 -2.743 1.00 0.00 C ATOM 0 H THR A 99 -4.680 14.321 -2.299 1.00 0.00 H new ATOM 0 HA THR A 99 -1.969 14.034 -3.375 1.00 0.00 H new ATOM 0 HB THR A 99 -1.121 15.166 -1.249 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.630 16.727 -0.347 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.310 17.437 -2.197 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.945 16.226 -3.449 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.597 16.867 -3.286 1.00 0.00 H new ATOM 1329 N LEU A 100 -1.295 12.563 -1.313 1.00 0.00 N ATOM 1330 CA LEU A 100 -1.073 11.421 -0.449 1.00 0.00 C ATOM 1331 C LEU A 100 0.254 11.588 0.299 1.00 0.00 C ATOM 1332 O LEU A 100 1.326 11.399 -0.277 1.00 0.00 O ATOM 1333 CB LEU A 100 -1.097 10.130 -1.280 1.00 0.00 C ATOM 1334 CG LEU A 100 -1.302 8.842 -0.490 1.00 0.00 C ATOM 1335 CD1 LEU A 100 -0.038 8.403 0.217 1.00 0.00 C ATOM 1336 CD2 LEU A 100 -2.437 9.037 0.488 1.00 0.00 C ATOM 0 H LEU A 100 -0.442 12.978 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.869 11.357 0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.892 10.211 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.157 10.054 -1.827 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.557 8.043 -1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.230 7.482 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.748 8.230 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.279 9.181 0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.589 8.120 1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -2.193 9.851 1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.349 9.282 -0.057 1.00 0.00 H new ATOM 1348 N PRO A 101 0.193 11.939 1.596 1.00 0.00 N ATOM 1349 CA PRO A 101 1.384 12.263 2.401 1.00 0.00 C ATOM 1350 C PRO A 101 2.350 11.084 2.579 1.00 0.00 C ATOM 1351 O PRO A 101 3.561 11.274 2.698 1.00 0.00 O ATOM 1352 CB PRO A 101 0.801 12.690 3.753 1.00 0.00 C ATOM 1353 CG PRO A 101 -0.558 12.081 3.798 1.00 0.00 C ATOM 1354 CD PRO A 101 -1.047 12.069 2.379 1.00 0.00 C ATOM 0 HA PRO A 101 1.987 13.029 1.914 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.419 12.337 4.578 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.750 13.776 3.835 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.521 11.072 4.208 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -1.225 12.660 4.437 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.728 11.238 2.195 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -1.586 12.984 2.131 1.00 0.00 H new ATOM 1362 N HIS A 102 1.815 9.866 2.591 1.00 0.00 N ATOM 1363 CA HIS A 102 2.644 8.661 2.739 1.00 0.00 C ATOM 1364 C HIS A 102 3.522 8.428 1.515 1.00 0.00 C ATOM 1365 O HIS A 102 4.399 7.566 1.527 1.00 0.00 O ATOM 1366 CB HIS A 102 1.786 7.417 2.990 1.00 0.00 C ATOM 1367 CG HIS A 102 1.308 7.269 4.402 1.00 0.00 C ATOM 1368 ND1 HIS A 102 1.634 6.186 5.190 1.00 0.00 N ATOM 1369 CD2 HIS A 102 0.515 8.059 5.165 1.00 0.00 C ATOM 1370 CE1 HIS A 102 1.065 6.317 6.372 1.00 0.00 C ATOM 1371 NE2 HIS A 102 0.380 7.443 6.382 1.00 0.00 N ATOM 0 H HIS A 102 0.816 9.682 2.501 1.00 0.00 H new ATOM 0 HA HIS A 102 3.285 8.831 3.604 1.00 0.00 H new ATOM 0 HB2 HIS A 102 0.921 7.448 2.328 1.00 0.00 H new ATOM 0 HB3 HIS A 102 2.363 6.532 2.720 1.00 0.00 H new ATOM 0 HD1 HIS A 102 2.224 5.405 4.903 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.072 8.999 4.870 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.146 5.620 7.193 1.00 0.00 H new ATOM 1380 N GLY A 103 3.275 9.193 0.458 1.00 0.00 N ATOM 1381 CA GLY A 103 4.055 9.056 -0.753 1.00 0.00 C ATOM 1382 C GLY A 103 3.709 7.803 -1.519 1.00 0.00 C ATOM 1383 O GLY A 103 4.461 7.366 -2.382 1.00 0.00 O ATOM 0 H GLY A 103 2.547 9.906 0.420 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.889 9.925 -1.389 1.00 0.00 H new ATOM 0 HA3 GLY A 103 5.115 9.043 -0.500 1.00 0.00 H new ATOM 1387 N ALA A 104 2.556 7.241 -1.219 1.00 0.00 N ATOM 1388 CA ALA A 104 2.149 5.991 -1.818 1.00 0.00 C ATOM 1389 C ALA A 104 1.277 6.219 -3.026 1.00 0.00 C ATOM 1390 O ALA A 104 0.425 7.100 -3.044 1.00 0.00 O ATOM 1391 CB ALA A 104 1.420 5.131 -0.808 1.00 0.00 C ATOM 0 H ALA A 104 1.883 7.634 -0.561 1.00 0.00 H new ATOM 0 HA ALA A 104 3.051 5.472 -2.143 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.121 4.194 -1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.079 4.921 0.034 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.534 5.658 -0.453 1.00 0.00 H new ATOM 1397 N LEU A 105 1.514 5.401 -4.030 1.00 0.00 N ATOM 1398 CA LEU A 105 0.717 5.411 -5.245 1.00 0.00 C ATOM 1399 C LEU A 105 -0.531 4.576 -5.001 1.00 0.00 C ATOM 1400 O LEU A 105 -1.526 4.668 -5.715 1.00 0.00 O ATOM 1401 CB LEU A 105 1.553 4.845 -6.405 1.00 0.00 C ATOM 1402 CG LEU A 105 0.973 5.028 -7.814 1.00 0.00 C ATOM 1403 CD1 LEU A 105 0.014 3.905 -8.164 1.00 0.00 C ATOM 1404 CD2 LEU A 105 0.273 6.367 -7.924 1.00 0.00 C ATOM 0 H LEU A 105 2.264 4.709 -4.030 1.00 0.00 H new ATOM 0 HA LEU A 105 0.419 6.425 -5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.537 5.312 -6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.701 3.779 -6.232 1.00 0.00 H new ATOM 0 HG LEU A 105 1.800 5.000 -8.524 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.380 4.063 -9.168 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.541 2.952 -8.127 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.809 3.893 -7.449 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.134 6.484 -8.929 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.537 6.415 -7.197 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.986 7.168 -7.726 1.00 0.00 H new ATOM 1416 N THR A 106 -0.466 3.782 -3.947 1.00 0.00 N ATOM 1417 CA THR A 106 -1.541 2.883 -3.587 1.00 0.00 C ATOM 1418 C THR A 106 -2.515 3.552 -2.628 1.00 0.00 C ATOM 1419 O THR A 106 -3.315 2.885 -1.980 1.00 0.00 O ATOM 1420 CB THR A 106 -0.970 1.613 -2.949 1.00 0.00 C ATOM 1421 OG1 THR A 106 -0.162 1.961 -1.816 1.00 0.00 O ATOM 1422 CG2 THR A 106 -0.120 0.862 -3.954 1.00 0.00 C ATOM 0 H THR A 106 0.336 3.745 -3.318 1.00 0.00 H new ATOM 0 HA THR A 106 -2.083 2.619 -4.495 1.00 0.00 H new ATOM 0 HB THR A 106 -1.797 0.979 -2.630 1.00 0.00 H new ATOM 0 HG1 THR A 106 0.547 1.294 -1.703 1.00 0.00 H new ATOM 0 HG21 THR A 106 0.281 -0.039 -3.490 1.00 0.00 H new ATOM 0 HG22 THR A 106 -0.731 0.586 -4.814 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.702 1.498 -4.282 1.00 0.00 H new ATOM 1430 N GLU A 107 -2.422 4.867 -2.527 1.00 0.00 N ATOM 1431 CA GLU A 107 -3.362 5.657 -1.749 1.00 0.00 C ATOM 1432 C GLU A 107 -3.495 7.036 -2.368 1.00 0.00 C ATOM 1433 O GLU A 107 -2.531 7.575 -2.906 1.00 0.00 O ATOM 1434 CB GLU A 107 -2.920 5.806 -0.290 1.00 0.00 C ATOM 1435 CG GLU A 107 -3.148 4.584 0.578 1.00 0.00 C ATOM 1436 CD GLU A 107 -3.019 4.909 2.054 1.00 0.00 C ATOM 1437 OE1 GLU A 107 -3.995 5.431 2.639 1.00 0.00 O ATOM 1438 OE2 GLU A 107 -1.951 4.647 2.636 1.00 0.00 O ATOM 0 H GLU A 107 -1.693 5.417 -2.982 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.319 5.135 -1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.859 6.053 -0.271 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -3.451 6.650 0.150 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -4.140 4.178 0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.428 3.810 0.312 1.00 0.00 H new ATOM 1445 N CYS A 108 -4.691 7.593 -2.313 1.00 0.00 N ATOM 1446 CA CYS A 108 -4.935 8.945 -2.786 1.00 0.00 C ATOM 1447 C CYS A 108 -6.078 9.561 -2.003 1.00 0.00 C ATOM 1448 O CYS A 108 -7.079 8.897 -1.740 1.00 0.00 O ATOM 1449 CB CYS A 108 -5.277 8.944 -4.282 1.00 0.00 C ATOM 1450 SG CYS A 108 -3.997 8.239 -5.348 1.00 0.00 S ATOM 0 H CYS A 108 -5.517 7.125 -1.941 1.00 0.00 H new ATOM 0 HA CYS A 108 -4.029 9.533 -2.637 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.202 8.386 -4.429 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.470 9.969 -4.598 1.00 0.00 H new ATOM 0 HG CYS A 108 -2.968 7.904 -4.627 1.00 0.00 H new ATOM 1456 N TYR A 109 -5.946 10.824 -1.630 1.00 0.00 N ATOM 1457 CA TYR A 109 -7.009 11.498 -0.902 1.00 0.00 C ATOM 1458 C TYR A 109 -7.537 12.650 -1.729 1.00 0.00 C ATOM 1459 O TYR A 109 -6.795 13.552 -2.126 1.00 0.00 O ATOM 1460 CB TYR A 109 -6.514 11.997 0.463 1.00 0.00 C ATOM 1461 CG TYR A 109 -5.922 10.912 1.345 1.00 0.00 C ATOM 1462 CD1 TYR A 109 -6.326 9.589 1.229 1.00 0.00 C ATOM 1463 CD2 TYR A 109 -4.955 11.215 2.295 1.00 0.00 C ATOM 1464 CE1 TYR A 109 -5.788 8.600 2.028 1.00 0.00 C ATOM 1465 CE2 TYR A 109 -4.411 10.233 3.100 1.00 0.00 C ATOM 1466 CZ TYR A 109 -4.831 8.925 2.964 1.00 0.00 C ATOM 1467 OH TYR A 109 -4.286 7.942 3.762 1.00 0.00 O ATOM 0 H TYR A 109 -5.123 11.398 -1.817 1.00 0.00 H new ATOM 0 HA TYR A 109 -7.814 10.786 -0.721 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -5.763 12.770 0.304 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.346 12.464 0.990 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -7.077 9.328 0.498 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -4.623 12.237 2.406 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -6.116 7.577 1.920 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -3.660 10.488 3.833 1.00 0.00 H new ATOM 0 HH TYR A 109 -4.235 7.103 3.258 1.00 0.00 H new ATOM 1477 N ASP A 110 -8.833 12.586 -1.981 1.00 0.00 N ATOM 1478 CA ASP A 110 -9.513 13.511 -2.869 1.00 0.00 C ATOM 1479 C ASP A 110 -9.837 14.812 -2.156 1.00 0.00 C ATOM 1480 O ASP A 110 -10.101 14.822 -0.953 1.00 0.00 O ATOM 1481 CB ASP A 110 -10.786 12.851 -3.410 1.00 0.00 C ATOM 1482 CG ASP A 110 -11.755 13.842 -4.014 1.00 0.00 C ATOM 1483 OD1 ASP A 110 -11.647 14.133 -5.221 1.00 0.00 O ATOM 1484 OD2 ASP A 110 -12.628 14.331 -3.273 1.00 0.00 O ATOM 0 H ASP A 110 -9.448 11.883 -1.571 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.854 13.753 -3.703 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.513 12.112 -4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -11.282 12.313 -2.602 1.00 0.00 H new ATOM 1489 N GLU A 111 -9.827 15.894 -2.938 1.00 0.00 N ATOM 1490 CA GLU A 111 -9.929 17.264 -2.440 1.00 0.00 C ATOM 1491 C GLU A 111 -11.170 17.485 -1.575 1.00 0.00 C ATOM 1492 O GLU A 111 -11.167 18.350 -0.701 1.00 0.00 O ATOM 1493 CB GLU A 111 -9.944 18.242 -3.621 1.00 0.00 C ATOM 1494 CG GLU A 111 -11.128 18.036 -4.551 1.00 0.00 C ATOM 1495 CD GLU A 111 -11.206 19.057 -5.665 1.00 0.00 C ATOM 1496 OE1 GLU A 111 -11.101 20.271 -5.381 1.00 0.00 O ATOM 1497 OE2 GLU A 111 -11.391 18.654 -6.830 1.00 0.00 O ATOM 0 H GLU A 111 -9.746 15.839 -3.953 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.059 17.444 -1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.963 19.263 -3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.020 18.131 -4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.068 17.039 -4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.048 18.075 -3.968 1.00 0.00 H new ATOM 1504 N LEU A 112 -12.225 16.712 -1.821 1.00 0.00 N ATOM 1505 CA LEU A 112 -13.465 16.846 -1.062 1.00 0.00 C ATOM 1506 C LEU A 112 -13.347 16.163 0.297 1.00 0.00 C ATOM 1507 O LEU A 112 -14.235 16.277 1.142 1.00 0.00 O ATOM 1508 CB LEU A 112 -14.627 16.239 -1.845 1.00 0.00 C ATOM 1509 CG LEU A 112 -14.726 16.692 -3.301 1.00 0.00 C ATOM 1510 CD1 LEU A 112 -15.793 15.899 -4.028 1.00 0.00 C ATOM 1511 CD2 LEU A 112 -15.019 18.182 -3.381 1.00 0.00 C ATOM 0 H LEU A 112 -12.246 15.988 -2.539 1.00 0.00 H new ATOM 0 HA LEU A 112 -13.653 17.908 -0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -14.534 15.153 -1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -15.559 16.489 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 112 -13.767 16.508 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -15.852 16.233 -5.064 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -15.540 14.839 -4.002 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -16.756 16.054 -3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -15.086 18.484 -4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -15.964 18.394 -2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -14.218 18.737 -2.893 1.00 0.00 H new ATOM 1523 N GLY A 113 -12.245 15.456 0.495 1.00 0.00 N ATOM 1524 CA GLY A 113 -12.016 14.753 1.742 1.00 0.00 C ATOM 1525 C GLY A 113 -12.187 13.256 1.594 1.00 0.00 C ATOM 1526 O GLY A 113 -12.436 12.553 2.576 1.00 0.00 O ATOM 0 H GLY A 113 -11.498 15.356 -0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -11.009 14.968 2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -12.708 15.123 2.498 1.00 0.00 H new ATOM 1530 N ASN A 114 -12.032 12.760 0.374 1.00 0.00 N ATOM 1531 CA ASN A 114 -12.254 11.343 0.097 1.00 0.00 C ATOM 1532 C ASN A 114 -10.960 10.559 0.215 1.00 0.00 C ATOM 1533 O ASN A 114 -9.872 11.129 0.162 1.00 0.00 O ATOM 1534 CB ASN A 114 -12.837 11.130 -1.301 1.00 0.00 C ATOM 1535 CG ASN A 114 -14.271 11.622 -1.430 1.00 0.00 C ATOM 1536 OD1 ASN A 114 -15.210 10.905 -1.090 1.00 0.00 O ATOM 1537 ND2 ASN A 114 -14.457 12.823 -1.959 1.00 0.00 N ATOM 0 H ASN A 114 -11.755 13.313 -0.437 1.00 0.00 H new ATOM 0 HA ASN A 114 -12.968 10.983 0.838 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -12.214 11.648 -2.031 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -12.800 10.069 -1.546 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -15.403 13.179 -2.095 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -13.654 13.391 -2.230 1.00 0.00 H new ATOM 1544 N ARG A 115 -11.082 9.249 0.361 1.00 0.00 N ATOM 1545 CA ARG A 115 -9.921 8.379 0.455 1.00 0.00 C ATOM 1546 C ARG A 115 -10.031 7.211 -0.509 1.00 0.00 C ATOM 1547 O ARG A 115 -11.035 6.501 -0.534 1.00 0.00 O ATOM 1548 CB ARG A 115 -9.745 7.840 1.874 1.00 0.00 C ATOM 1549 CG ARG A 115 -9.318 8.888 2.882 1.00 0.00 C ATOM 1550 CD ARG A 115 -8.986 8.253 4.218 1.00 0.00 C ATOM 1551 NE ARG A 115 -8.359 9.206 5.130 1.00 0.00 N ATOM 1552 CZ ARG A 115 -7.561 8.853 6.140 1.00 0.00 C ATOM 1553 NH1 ARG A 115 -7.317 7.566 6.378 1.00 0.00 N ATOM 1554 NH2 ARG A 115 -7.002 9.787 6.902 1.00 0.00 N ATOM 0 H ARG A 115 -11.977 8.764 0.417 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.052 8.981 0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -10.685 7.396 2.202 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -9.003 7.041 1.859 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -8.449 9.427 2.505 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -10.115 9.620 3.011 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -9.897 7.862 4.671 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -8.318 7.406 4.062 1.00 0.00 H new ATOM 0 HE ARG A 115 -8.542 10.199 4.987 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -7.740 6.849 5.788 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -6.707 7.297 7.150 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -7.183 10.773 6.715 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -6.392 9.518 7.674 1.00 0.00 H new ATOM 1568 N TYR A 116 -8.993 7.021 -1.301 1.00 0.00 N ATOM 1569 CA TYR A 116 -8.880 5.846 -2.139 1.00 0.00 C ATOM 1570 C TYR A 116 -7.659 5.051 -1.740 1.00 0.00 C ATOM 1571 O TYR A 116 -6.545 5.571 -1.699 1.00 0.00 O ATOM 1572 CB TYR A 116 -8.828 6.210 -3.618 1.00 0.00 C ATOM 1573 CG TYR A 116 -10.196 6.346 -4.232 1.00 0.00 C ATOM 1574 CD1 TYR A 116 -10.878 7.554 -4.234 1.00 0.00 C ATOM 1575 CD2 TYR A 116 -10.811 5.244 -4.802 1.00 0.00 C ATOM 1576 CE1 TYR A 116 -12.138 7.654 -4.793 1.00 0.00 C ATOM 1577 CE2 TYR A 116 -12.063 5.338 -5.360 1.00 0.00 C ATOM 1578 CZ TYR A 116 -12.724 6.536 -5.356 1.00 0.00 C ATOM 1579 OH TYR A 116 -13.975 6.620 -5.916 1.00 0.00 O ATOM 0 H TYR A 116 -8.211 7.671 -1.381 1.00 0.00 H new ATOM 0 HA TYR A 116 -9.770 5.235 -1.991 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -8.286 7.148 -3.738 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -8.267 5.446 -4.156 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -10.419 8.427 -3.794 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -10.297 4.294 -4.808 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -12.661 8.599 -4.790 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -12.525 4.467 -5.801 1.00 0.00 H new ATOM 0 HH TYR A 116 -14.654 6.513 -5.217 1.00 0.00 H new ATOM 1589 N GLN A 117 -7.898 3.798 -1.423 1.00 0.00 N ATOM 1590 CA GLN A 117 -6.895 2.932 -0.845 1.00 0.00 C ATOM 1591 C GLN A 117 -6.746 1.695 -1.716 1.00 0.00 C ATOM 1592 O GLN A 117 -7.711 0.983 -1.952 1.00 0.00 O ATOM 1593 CB GLN A 117 -7.356 2.589 0.574 1.00 0.00 C ATOM 1594 CG GLN A 117 -8.242 3.696 1.140 1.00 0.00 C ATOM 1595 CD GLN A 117 -8.584 3.549 2.603 1.00 0.00 C ATOM 1596 OE1 GLN A 117 -7.849 4.014 3.474 1.00 0.00 O ATOM 1597 NE2 GLN A 117 -9.727 2.948 2.883 1.00 0.00 N ATOM 0 H GLN A 117 -8.803 3.347 -1.561 1.00 0.00 H new ATOM 0 HA GLN A 117 -5.917 3.410 -0.795 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -7.905 1.647 0.565 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -6.488 2.446 1.218 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -7.742 4.653 0.993 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.168 3.729 0.567 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.306 2.577 2.130 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.030 2.855 3.852 1.00 0.00 H new ATOM 1606 N LEU A 118 -5.550 1.460 -2.219 1.00 0.00 N ATOM 1607 CA LEU A 118 -5.347 0.431 -3.228 1.00 0.00 C ATOM 1608 C LEU A 118 -4.814 -0.862 -2.625 1.00 0.00 C ATOM 1609 O LEU A 118 -3.748 -0.877 -2.011 1.00 0.00 O ATOM 1610 CB LEU A 118 -4.392 0.938 -4.316 1.00 0.00 C ATOM 1611 CG LEU A 118 -4.203 0.006 -5.516 1.00 0.00 C ATOM 1612 CD1 LEU A 118 -5.493 -0.106 -6.309 1.00 0.00 C ATOM 1613 CD2 LEU A 118 -3.073 0.507 -6.400 1.00 0.00 C ATOM 0 H LEU A 118 -4.705 1.964 -1.949 1.00 0.00 H new ATOM 0 HA LEU A 118 -6.318 0.211 -3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -4.760 1.898 -4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -3.417 1.120 -3.863 1.00 0.00 H new ATOM 0 HG LEU A 118 -3.940 -0.986 -5.149 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -5.341 -0.772 -7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.280 -0.507 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -5.786 0.880 -6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -2.950 -0.165 -7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -3.310 1.508 -6.761 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -2.148 0.538 -5.825 1.00 0.00 H new ATOM 1625 N PRO A 119 -5.570 -1.961 -2.781 1.00 0.00 N ATOM 1626 CA PRO A 119 -5.142 -3.301 -2.359 1.00 0.00 C ATOM 1627 C PRO A 119 -4.003 -3.853 -3.213 1.00 0.00 C ATOM 1628 O PRO A 119 -3.822 -3.468 -4.372 1.00 0.00 O ATOM 1629 CB PRO A 119 -6.406 -4.152 -2.548 1.00 0.00 C ATOM 1630 CG PRO A 119 -7.520 -3.172 -2.639 1.00 0.00 C ATOM 1631 CD PRO A 119 -6.929 -1.987 -3.341 1.00 0.00 C ATOM 0 HA PRO A 119 -4.755 -3.297 -1.340 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -6.341 -4.760 -3.450 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -6.550 -4.836 -1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -8.363 -3.582 -3.195 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -7.891 -2.902 -1.650 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -6.924 -2.112 -4.424 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -7.477 -1.069 -3.129 1.00 0.00 H new ATOM 1639 N VAL A 120 -3.249 -4.785 -2.626 1.00 0.00 N ATOM 1640 CA VAL A 120 -2.054 -5.354 -3.260 1.00 0.00 C ATOM 1641 C VAL A 120 -2.393 -6.182 -4.491 1.00 0.00 C ATOM 1642 O VAL A 120 -1.521 -6.466 -5.301 1.00 0.00 O ATOM 1643 CB VAL A 120 -1.254 -6.254 -2.296 1.00 0.00 C ATOM 1644 CG1 VAL A 120 -0.780 -5.472 -1.090 1.00 0.00 C ATOM 1645 CG2 VAL A 120 -2.072 -7.460 -1.868 1.00 0.00 C ATOM 0 H VAL A 120 -3.447 -5.167 -1.701 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.451 -4.493 -3.549 1.00 0.00 H new ATOM 0 HB VAL A 120 -0.376 -6.615 -2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -0.219 -6.130 -0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.139 -4.653 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.641 -5.068 -0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -1.483 -8.077 -1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.977 -7.125 -1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.344 -8.046 -2.746 1.00 0.00 H new ATOM 1655 N TYR A 121 -3.660 -6.546 -4.635 1.00 0.00 N ATOM 1656 CA TYR A 121 -4.093 -7.477 -5.679 1.00 0.00 C ATOM 1657 C TYR A 121 -3.746 -6.964 -7.081 1.00 0.00 C ATOM 1658 O TYR A 121 -3.648 -7.738 -8.031 1.00 0.00 O ATOM 1659 CB TYR A 121 -5.603 -7.726 -5.569 1.00 0.00 C ATOM 1660 CG TYR A 121 -6.451 -6.619 -6.163 1.00 0.00 C ATOM 1661 CD1 TYR A 121 -6.394 -5.326 -5.668 1.00 0.00 C ATOM 1662 CD2 TYR A 121 -7.300 -6.872 -7.231 1.00 0.00 C ATOM 1663 CE1 TYR A 121 -7.155 -4.316 -6.218 1.00 0.00 C ATOM 1664 CE2 TYR A 121 -8.067 -5.867 -7.787 1.00 0.00 C ATOM 1665 CZ TYR A 121 -7.991 -4.591 -7.278 1.00 0.00 C ATOM 1666 OH TYR A 121 -8.753 -3.588 -7.829 1.00 0.00 O ATOM 0 H TYR A 121 -4.415 -6.209 -4.038 1.00 0.00 H new ATOM 0 HA TYR A 121 -3.557 -8.414 -5.528 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -5.844 -8.664 -6.069 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -5.866 -7.848 -4.518 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -5.742 -5.105 -4.836 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -7.362 -7.872 -7.634 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -7.096 -3.314 -5.820 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -8.723 -6.082 -8.617 1.00 0.00 H new ATOM 0 HH TYR A 121 -9.286 -3.950 -8.568 1.00 0.00 H new ATOM 1676 N CYS A 122 -3.548 -5.661 -7.199 1.00 0.00 N ATOM 1677 CA CYS A 122 -3.305 -5.041 -8.489 1.00 0.00 C ATOM 1678 C CYS A 122 -1.812 -4.741 -8.688 1.00 0.00 C ATOM 1679 O CYS A 122 -1.414 -4.192 -9.715 1.00 0.00 O ATOM 1680 CB CYS A 122 -4.148 -3.761 -8.596 1.00 0.00 C ATOM 1681 SG CYS A 122 -4.151 -2.978 -10.224 1.00 0.00 S ATOM 0 H CYS A 122 -3.551 -5.011 -6.413 1.00 0.00 H new ATOM 0 HA CYS A 122 -3.599 -5.731 -9.280 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -5.176 -3.998 -8.322 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -3.781 -3.041 -7.865 1.00 0.00 H new ATOM 0 HG CYS A 122 -3.012 -3.196 -10.812 1.00 0.00 H new ATOM 1687 N LEU A 123 -0.983 -5.121 -7.716 1.00 0.00 N ATOM 1688 CA LEU A 123 0.446 -4.820 -7.779 1.00 0.00 C ATOM 1689 C LEU A 123 1.312 -5.985 -7.294 1.00 0.00 C ATOM 1690 O LEU A 123 2.236 -6.414 -7.987 1.00 0.00 O ATOM 1691 CB LEU A 123 0.757 -3.577 -6.942 1.00 0.00 C ATOM 1692 CG LEU A 123 0.269 -2.250 -7.529 1.00 0.00 C ATOM 1693 CD1 LEU A 123 0.613 -1.105 -6.595 1.00 0.00 C ATOM 1694 CD2 LEU A 123 0.882 -2.010 -8.904 1.00 0.00 C ATOM 0 H LEU A 123 -1.273 -5.633 -6.883 1.00 0.00 H new ATOM 0 HA LEU A 123 0.687 -4.641 -8.827 1.00 0.00 H new ATOM 0 HB2 LEU A 123 0.312 -3.704 -5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 123 1.836 -3.517 -6.799 1.00 0.00 H new ATOM 0 HG LEU A 123 -0.814 -2.302 -7.640 1.00 0.00 H new ATOM 0 HD11 LEU A 123 0.261 -0.167 -7.024 1.00 0.00 H new ATOM 0 HD12 LEU A 123 0.132 -1.266 -5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.693 -1.058 -6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 123 0.522 -1.062 -9.303 1.00 0.00 H new ATOM 0 HD22 LEU A 123 1.968 -1.978 -8.818 1.00 0.00 H new ATOM 0 HD23 LEU A 123 0.595 -2.819 -9.576 1.00 0.00 H new ATOM 1706 N ALA A 124 1.015 -6.491 -6.106 1.00 0.00 N ATOM 1707 CA ALA A 124 1.843 -7.507 -5.474 1.00 0.00 C ATOM 1708 C ALA A 124 0.983 -8.595 -4.838 1.00 0.00 C ATOM 1709 O ALA A 124 0.250 -8.335 -3.886 1.00 0.00 O ATOM 1710 CB ALA A 124 2.729 -6.861 -4.420 1.00 0.00 C ATOM 0 H ALA A 124 0.201 -6.212 -5.558 1.00 0.00 H new ATOM 0 HA ALA A 124 2.466 -7.971 -6.239 1.00 0.00 H new ATOM 0 HB1 ALA A 124 3.348 -7.624 -3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 124 3.369 -6.114 -4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.106 -6.381 -3.665 1.00 0.00 H new ATOM 1716 N PRO A 125 1.053 -9.833 -5.350 1.00 0.00 N ATOM 1717 CA PRO A 125 0.268 -10.946 -4.840 1.00 0.00 C ATOM 1718 C PRO A 125 1.007 -11.981 -3.945 1.00 0.00 C ATOM 1719 O PRO A 125 0.585 -13.133 -3.921 1.00 0.00 O ATOM 1720 CB PRO A 125 -0.150 -11.609 -6.148 1.00 0.00 C ATOM 1721 CG PRO A 125 0.999 -11.375 -7.091 1.00 0.00 C ATOM 1722 CD PRO A 125 1.828 -10.243 -6.522 1.00 0.00 C ATOM 0 HA PRO A 125 -0.516 -10.592 -4.170 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -0.335 -12.674 -6.009 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -1.072 -11.173 -6.534 1.00 0.00 H new ATOM 0 HG2 PRO A 125 1.601 -12.278 -7.194 1.00 0.00 H new ATOM 0 HG3 PRO A 125 0.633 -11.121 -8.086 1.00 0.00 H new ATOM 0 HD2 PRO A 125 2.830 -10.573 -6.249 1.00 0.00 H new ATOM 0 HD3 PRO A 125 1.944 -9.428 -7.236 1.00 0.00 H new ATOM 1730 N PRO A 126 2.102 -11.650 -3.200 1.00 0.00 N ATOM 1731 CA PRO A 126 2.695 -12.614 -2.263 1.00 0.00 C ATOM 1732 C PRO A 126 1.943 -12.662 -0.928 1.00 0.00 C ATOM 1733 O PRO A 126 2.060 -13.623 -0.163 1.00 0.00 O ATOM 1734 CB PRO A 126 4.116 -12.090 -2.070 1.00 0.00 C ATOM 1735 CG PRO A 126 4.002 -10.618 -2.252 1.00 0.00 C ATOM 1736 CD PRO A 126 2.879 -10.390 -3.231 1.00 0.00 C ATOM 0 HA PRO A 126 2.656 -13.635 -2.642 1.00 0.00 H new ATOM 0 HB2 PRO A 126 4.499 -12.338 -1.080 1.00 0.00 H new ATOM 0 HB3 PRO A 126 4.802 -12.527 -2.796 1.00 0.00 H new ATOM 0 HG2 PRO A 126 3.794 -10.125 -1.302 1.00 0.00 H new ATOM 0 HG3 PRO A 126 4.936 -10.201 -2.630 1.00 0.00 H new ATOM 0 HD2 PRO A 126 2.265 -9.537 -2.940 1.00 0.00 H new ATOM 0 HD3 PRO A 126 3.260 -10.182 -4.231 1.00 0.00 H new ATOM 1744 N ILE A 127 1.172 -11.618 -0.655 1.00 0.00 N ATOM 1745 CA ILE A 127 0.372 -11.541 0.561 1.00 0.00 C ATOM 1746 C ILE A 127 -1.078 -11.899 0.267 1.00 0.00 C ATOM 1747 O ILE A 127 -2.006 -11.222 0.711 1.00 0.00 O ATOM 1748 CB ILE A 127 0.427 -10.144 1.225 1.00 0.00 C ATOM 1749 CG1 ILE A 127 0.126 -9.017 0.220 1.00 0.00 C ATOM 1750 CG2 ILE A 127 1.769 -9.936 1.902 1.00 0.00 C ATOM 1751 CD1 ILE A 127 1.282 -8.641 -0.685 1.00 0.00 C ATOM 0 H ILE A 127 1.083 -10.806 -1.265 1.00 0.00 H new ATOM 0 HA ILE A 127 0.802 -12.259 1.260 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.354 -10.104 1.985 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -0.718 -9.319 -0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -0.186 -8.131 0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 127 1.794 -8.949 2.365 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.913 -10.699 2.667 1.00 0.00 H new ATOM 0 HG23 ILE A 127 2.565 -10.010 1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 127 0.973 -7.840 -1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 127 2.123 -8.303 -0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 127 1.583 -9.510 -1.271 1.00 0.00 H new