USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 812 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 87 THR OG1 : rot 110:sc= 0.45 USER MOD Set 1.2: A 101 SER OG : rot 77:sc= 0.185 USER MOD Set 2.1: A 58 LYS NZ :NH3+ -148:sc= -1.54! (180deg=-3!) USER MOD Set 2.2: A 61 SER OG : rot 30:sc= 0.169 USER MOD Set 3.1: A 50 CYS SG : rot -134:sc= 0.609 USER MOD Set 3.2: A 65 SER OG : rot 76:sc= 0.205 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.027) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -119:sc= 0.4 (180deg=-0.154) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.903 F(o=-2.6!,f=-0.9) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 150:sc= -0.356 USER MOD Single : A 54 TYR OH : rot 165:sc= -1.21 USER MOD Single : A 55 LYS NZ :NH3+ 159:sc= -0.038 (180deg=-0.264) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot -54:sc= 0.0496 USER MOD Single : A 81 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.0032) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= -3.96! C(o=-4!,f=-5.5!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -3.54! C(o=-3.5!,f=-6.1!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.354 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.0669 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.628 K(o=-0.63,f=-2.3!) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 MET CE :methyl -177:sc= -0.282 (180deg=-0.303) USER MOD ----------------------------------------------------------------- ATOM 176 N LYS A 15 -11.701 4.955 -6.176 1.00 0.00 N ATOM 177 CA LYS A 15 -12.470 3.731 -5.986 1.00 0.00 C ATOM 178 C LYS A 15 -11.874 2.583 -6.796 1.00 0.00 C ATOM 179 O LYS A 15 -11.033 2.799 -7.669 1.00 0.00 O ATOM 180 CB LYS A 15 -13.929 3.952 -6.392 1.00 0.00 C ATOM 181 CG LYS A 15 -14.128 4.093 -7.891 1.00 0.00 C ATOM 182 CD LYS A 15 -15.598 4.242 -8.247 1.00 0.00 C ATOM 183 CE LYS A 15 -15.784 5.042 -9.526 1.00 0.00 C ATOM 184 NZ LYS A 15 -15.334 4.283 -10.726 1.00 0.00 N ATOM 0 HA LYS A 15 -12.430 3.467 -4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.528 3.116 -6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.303 4.849 -5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.576 4.960 -8.252 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.717 3.220 -8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.046 3.256 -8.365 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.123 4.735 -7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.835 5.308 -9.638 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.224 5.975 -9.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.477 4.863 -11.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.325 4.050 -10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.885 3.405 -10.808 1.00 0.00 H new ATOM 198 N ARG A 16 -12.317 1.365 -6.502 1.00 0.00 N ATOM 199 CA ARG A 16 -11.827 0.185 -7.204 1.00 0.00 C ATOM 200 C ARG A 16 -12.987 -0.652 -7.736 1.00 0.00 C ATOM 201 O ARG A 16 -14.018 -0.791 -7.078 1.00 0.00 O ATOM 202 CB ARG A 16 -10.958 -0.663 -6.273 1.00 0.00 C ATOM 203 CG ARG A 16 -10.593 -2.021 -6.851 1.00 0.00 C ATOM 204 CD ARG A 16 -10.287 -3.029 -5.754 1.00 0.00 C ATOM 205 NE ARG A 16 -10.219 -4.394 -6.268 1.00 0.00 N ATOM 206 CZ ARG A 16 -11.284 -5.169 -6.439 1.00 0.00 C ATOM 207 NH1 ARG A 16 -12.493 -4.715 -6.140 1.00 0.00 N ATOM 208 NH2 ARG A 16 -11.141 -6.400 -6.912 1.00 0.00 N ATOM 0 H ARG A 16 -13.014 1.170 -5.783 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.225 0.519 -8.049 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.043 -0.116 -6.046 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.485 -0.808 -5.330 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.415 -2.389 -7.466 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.727 -1.919 -7.505 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.339 -2.773 -5.280 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.055 -2.970 -4.983 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.303 -4.773 -6.509 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.607 -3.768 -5.778 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.309 -5.312 -6.272 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.212 -6.752 -7.145 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.960 -6.994 -7.043 1.00 0.00 H new ATOM 222 N ASN A 17 -12.811 -1.206 -8.931 1.00 0.00 N ATOM 223 CA ASN A 17 -13.844 -2.027 -9.552 1.00 0.00 C ATOM 224 C ASN A 17 -13.570 -3.511 -9.323 1.00 0.00 C ATOM 225 O ASN A 17 -12.427 -3.967 -9.349 1.00 0.00 O ATOM 226 CB ASN A 17 -13.922 -1.737 -11.052 1.00 0.00 C ATOM 227 CG ASN A 17 -14.309 -0.301 -11.344 1.00 0.00 C ATOM 228 OD1 ASN A 17 -15.491 0.044 -11.364 1.00 0.00 O ATOM 229 ND2 ASN A 17 -13.312 0.546 -11.572 1.00 0.00 N ATOM 0 H ASN A 17 -11.963 -1.101 -9.488 1.00 0.00 H new ATOM 0 HA ASN A 17 -14.799 -1.776 -9.090 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.957 -1.951 -11.511 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -14.649 -2.407 -11.511 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.511 1.526 -11.774 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.347 0.217 -11.545 1.00 0.00 H new ATOM 236 N PRO A 18 -14.643 -4.282 -9.093 1.00 0.00 N ATOM 237 CA PRO A 18 -14.544 -5.725 -8.856 1.00 0.00 C ATOM 238 C PRO A 18 -14.139 -6.492 -10.110 1.00 0.00 C ATOM 239 O PRO A 18 -13.369 -7.449 -10.042 1.00 0.00 O ATOM 240 CB PRO A 18 -15.961 -6.112 -8.427 1.00 0.00 C ATOM 241 CG PRO A 18 -16.839 -5.076 -9.040 1.00 0.00 C ATOM 242 CD PRO A 18 -16.035 -3.805 -9.047 1.00 0.00 C ATOM 0 HA PRO A 18 -13.780 -5.965 -8.117 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.222 -7.110 -8.778 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.057 -6.121 -7.341 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -17.130 -5.360 -10.051 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.758 -4.954 -8.466 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.275 -3.182 -9.909 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.225 -3.205 -8.157 1.00 0.00 H new ATOM 250 N ASN A 19 -14.662 -6.065 -11.255 1.00 0.00 N ATOM 251 CA ASN A 19 -14.355 -6.712 -12.525 1.00 0.00 C ATOM 252 C ASN A 19 -12.858 -6.658 -12.815 1.00 0.00 C ATOM 253 O ASN A 19 -12.270 -7.635 -13.278 1.00 0.00 O ATOM 254 CB ASN A 19 -15.130 -6.044 -13.662 1.00 0.00 C ATOM 255 CG ASN A 19 -16.577 -6.496 -13.719 1.00 0.00 C ATOM 256 OD1 ASN A 19 -17.495 -5.676 -13.707 1.00 0.00 O ATOM 257 ND2 ASN A 19 -16.786 -7.805 -13.782 1.00 0.00 N ATOM 0 H ASN A 19 -15.301 -5.273 -11.329 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.656 -7.757 -12.454 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -15.095 -4.962 -13.535 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -14.644 -6.270 -14.611 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -17.738 -8.168 -13.823 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -15.994 -8.448 -13.790 1.00 0.00 H new ATOM 264 N ALA A 20 -12.248 -5.511 -12.538 1.00 0.00 N ATOM 265 CA ALA A 20 -10.820 -5.330 -12.766 1.00 0.00 C ATOM 266 C ALA A 20 -10.019 -6.482 -12.169 1.00 0.00 C ATOM 267 O ALA A 20 -10.182 -6.846 -11.004 1.00 0.00 O ATOM 268 CB ALA A 20 -10.356 -4.004 -12.182 1.00 0.00 C ATOM 0 H ALA A 20 -12.721 -4.692 -12.155 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.647 -5.321 -13.842 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.287 -3.882 -12.360 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.898 -3.187 -12.658 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.549 -3.991 -11.109 1.00 0.00 H new ATOM 274 N PRO A 21 -9.132 -7.072 -12.985 1.00 0.00 N ATOM 275 CA PRO A 21 -8.288 -8.192 -12.558 1.00 0.00 C ATOM 276 C PRO A 21 -7.226 -7.767 -11.551 1.00 0.00 C ATOM 277 O PRO A 21 -6.511 -6.787 -11.763 1.00 0.00 O ATOM 278 CB PRO A 21 -7.633 -8.658 -13.861 1.00 0.00 C ATOM 279 CG PRO A 21 -7.640 -7.456 -14.740 1.00 0.00 C ATOM 280 CD PRO A 21 -8.885 -6.691 -14.385 1.00 0.00 C ATOM 0 HA PRO A 21 -8.864 -8.967 -12.053 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.618 -9.016 -13.688 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.189 -9.481 -14.311 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.749 -6.849 -14.578 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.644 -7.742 -15.792 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.739 -5.616 -14.489 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.721 -6.963 -15.029 1.00 0.00 H new ATOM 288 N VAL A 22 -7.126 -8.510 -10.453 1.00 0.00 N ATOM 289 CA VAL A 22 -6.150 -8.211 -9.413 1.00 0.00 C ATOM 290 C VAL A 22 -4.727 -8.415 -9.920 1.00 0.00 C ATOM 291 O VAL A 22 -4.337 -9.526 -10.281 1.00 0.00 O ATOM 292 CB VAL A 22 -6.370 -9.089 -8.166 1.00 0.00 C ATOM 293 CG1 VAL A 22 -5.303 -8.808 -7.120 1.00 0.00 C ATOM 294 CG2 VAL A 22 -7.762 -8.862 -7.595 1.00 0.00 C ATOM 0 H VAL A 22 -7.710 -9.324 -10.261 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.289 -7.165 -9.140 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.289 -10.135 -8.460 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.475 -9.437 -6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.319 -9.026 -7.536 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.349 -7.759 -6.826 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.901 -9.490 -6.715 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.874 -7.815 -7.315 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.509 -9.119 -8.346 1.00 0.00 H new ATOM 304 N THR A 23 -3.952 -7.335 -9.945 1.00 0.00 N ATOM 305 CA THR A 23 -2.572 -7.394 -10.408 1.00 0.00 C ATOM 306 C THR A 23 -1.723 -8.274 -9.497 1.00 0.00 C ATOM 307 O THR A 23 -1.039 -9.187 -9.959 1.00 0.00 O ATOM 308 CB THR A 23 -1.942 -5.990 -10.479 1.00 0.00 C ATOM 309 OG1 THR A 23 -2.804 -5.102 -11.198 1.00 0.00 O ATOM 310 CG2 THR A 23 -0.580 -6.042 -11.156 1.00 0.00 C ATOM 0 H THR A 23 -4.258 -6.408 -9.649 1.00 0.00 H new ATOM 0 HA THR A 23 -2.593 -7.826 -11.409 1.00 0.00 H new ATOM 0 HB THR A 23 -1.811 -5.623 -9.461 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.397 -4.211 -11.237 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.154 -5.039 -11.195 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.083 -6.696 -10.590 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.692 -6.428 -12.169 1.00 0.00 H new ATOM 318 N LYS A 24 -1.773 -7.994 -8.199 1.00 0.00 N ATOM 319 CA LYS A 24 -1.010 -8.762 -7.221 1.00 0.00 C ATOM 320 C LYS A 24 -1.638 -8.653 -5.835 1.00 0.00 C ATOM 321 O LYS A 24 -2.087 -7.582 -5.429 1.00 0.00 O ATOM 322 CB LYS A 24 0.439 -8.272 -7.176 1.00 0.00 C ATOM 323 CG LYS A 24 1.419 -9.318 -6.673 1.00 0.00 C ATOM 324 CD LYS A 24 2.735 -8.689 -6.246 1.00 0.00 C ATOM 325 CE LYS A 24 3.522 -9.613 -5.329 1.00 0.00 C ATOM 326 NZ LYS A 24 4.015 -10.820 -6.049 1.00 0.00 N ATOM 0 H LYS A 24 -2.334 -7.241 -7.800 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.024 -9.808 -7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.738 -7.957 -8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.497 -7.393 -6.534 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.981 -9.854 -5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.603 -10.052 -7.457 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.331 -8.456 -7.128 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.540 -7.746 -5.735 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.368 -9.071 -4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.891 -9.920 -4.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.546 -11.424 -5.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.206 -11.351 -6.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.637 -10.529 -6.830 1.00 0.00 H new ATOM 340 N ALA A 25 -1.665 -9.769 -5.114 1.00 0.00 N ATOM 341 CA ALA A 25 -2.234 -9.798 -3.772 1.00 0.00 C ATOM 342 C ALA A 25 -1.297 -10.496 -2.793 1.00 0.00 C ATOM 343 O ALA A 25 -0.668 -11.499 -3.129 1.00 0.00 O ATOM 344 CB ALA A 25 -3.591 -10.486 -3.789 1.00 0.00 C ATOM 0 H ALA A 25 -1.300 -10.665 -5.437 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.365 -8.769 -3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.004 -10.501 -2.780 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.266 -9.943 -4.450 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.476 -11.508 -4.149 1.00 0.00 H new ATOM 350 N GLY A 26 -1.209 -9.960 -1.579 1.00 0.00 N ATOM 351 CA GLY A 26 -0.346 -10.545 -0.570 1.00 0.00 C ATOM 352 C GLY A 26 -0.443 -9.828 0.762 1.00 0.00 C ATOM 353 O GLY A 26 -0.590 -8.607 0.808 1.00 0.00 O ATOM 0 H GLY A 26 -1.720 -9.131 -1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.610 -11.594 -0.435 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.686 -10.518 -0.919 1.00 0.00 H new ATOM 357 N TRP A 27 -0.361 -10.588 1.848 1.00 0.00 N ATOM 358 CA TRP A 27 -0.442 -10.018 3.188 1.00 0.00 C ATOM 359 C TRP A 27 0.833 -9.257 3.533 1.00 0.00 C ATOM 360 O TRP A 27 1.880 -9.858 3.774 1.00 0.00 O ATOM 361 CB TRP A 27 -0.689 -11.120 4.219 1.00 0.00 C ATOM 362 CG TRP A 27 -2.094 -11.642 4.207 1.00 0.00 C ATOM 363 CD1 TRP A 27 -2.573 -12.689 3.472 1.00 0.00 C ATOM 364 CD2 TRP A 27 -3.201 -11.140 4.963 1.00 0.00 C ATOM 365 NE1 TRP A 27 -3.911 -12.867 3.726 1.00 0.00 N ATOM 366 CE2 TRP A 27 -4.320 -11.931 4.637 1.00 0.00 C ATOM 367 CE3 TRP A 27 -3.356 -10.101 5.885 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -5.575 -11.712 5.201 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -4.601 -9.885 6.442 1.00 0.00 C ATOM 370 CH2 TRP A 27 -5.697 -10.688 6.100 1.00 0.00 C ATOM 0 H TRP A 27 -0.238 -11.600 1.827 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.277 -9.318 3.209 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -0.001 -11.944 4.031 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.461 -10.735 5.213 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.986 -13.288 2.792 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -4.504 -13.581 3.304 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.517 -9.478 6.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -6.422 -12.329 4.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.732 -9.083 7.154 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.657 -10.495 6.555 1.00 0.00 H new ATOM 381 N LEU A 28 0.738 -7.932 3.556 1.00 0.00 N ATOM 382 CA LEU A 28 1.885 -7.088 3.873 1.00 0.00 C ATOM 383 C LEU A 28 1.685 -6.377 5.208 1.00 0.00 C ATOM 384 O LEU A 28 0.630 -6.490 5.832 1.00 0.00 O ATOM 385 CB LEU A 28 2.108 -6.060 2.763 1.00 0.00 C ATOM 386 CG LEU A 28 2.766 -6.584 1.486 1.00 0.00 C ATOM 387 CD1 LEU A 28 2.583 -5.593 0.347 1.00 0.00 C ATOM 388 CD2 LEU A 28 4.244 -6.861 1.722 1.00 0.00 C ATOM 0 H LEU A 28 -0.121 -7.419 3.359 1.00 0.00 H new ATOM 0 HA LEU A 28 2.765 -7.726 3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.144 -5.625 2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.724 -5.253 3.161 1.00 0.00 H new ATOM 0 HG LEU A 28 2.282 -7.520 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.058 -5.982 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.519 -5.444 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.041 -4.641 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.696 -7.233 0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.743 -5.940 2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.353 -7.608 2.508 1.00 0.00 H new ATOM 400 N PHE A 29 2.705 -5.642 5.639 1.00 0.00 N ATOM 401 CA PHE A 29 2.641 -4.911 6.899 1.00 0.00 C ATOM 402 C PHE A 29 2.750 -3.408 6.662 1.00 0.00 C ATOM 403 O PHE A 29 3.782 -2.912 6.210 1.00 0.00 O ATOM 404 CB PHE A 29 3.758 -5.373 7.838 1.00 0.00 C ATOM 405 CG PHE A 29 3.640 -6.813 8.248 1.00 0.00 C ATOM 406 CD1 PHE A 29 3.929 -7.828 7.350 1.00 0.00 C ATOM 407 CD2 PHE A 29 3.240 -7.152 9.530 1.00 0.00 C ATOM 408 CE1 PHE A 29 3.822 -9.154 7.724 1.00 0.00 C ATOM 409 CE2 PHE A 29 3.131 -8.476 9.909 1.00 0.00 C ATOM 410 CZ PHE A 29 3.421 -9.479 9.005 1.00 0.00 C ATOM 0 H PHE A 29 3.585 -5.537 5.134 1.00 0.00 H new ATOM 0 HA PHE A 29 1.677 -5.119 7.362 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.720 -5.221 7.348 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.753 -4.748 8.731 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.241 -7.580 6.346 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.011 -6.372 10.241 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.052 -9.936 7.015 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.819 -8.727 10.912 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.334 -10.515 9.299 1.00 0.00 H new ATOM 420 N LYS A 30 1.677 -2.687 6.969 1.00 0.00 N ATOM 421 CA LYS A 30 1.649 -1.240 6.791 1.00 0.00 C ATOM 422 C LYS A 30 2.111 -0.527 8.058 1.00 0.00 C ATOM 423 O LYS A 30 1.587 -0.771 9.144 1.00 0.00 O ATOM 424 CB LYS A 30 0.238 -0.779 6.419 1.00 0.00 C ATOM 425 CG LYS A 30 0.201 0.585 5.750 1.00 0.00 C ATOM 426 CD LYS A 30 -1.183 0.904 5.212 1.00 0.00 C ATOM 427 CE LYS A 30 -1.413 2.405 5.123 1.00 0.00 C ATOM 428 NZ LYS A 30 -2.752 2.728 4.555 1.00 0.00 N ATOM 0 H LYS A 30 0.814 -3.082 7.343 1.00 0.00 H new ATOM 0 HA LYS A 30 2.333 -0.985 5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.211 -1.514 5.752 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.375 -0.750 7.320 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.500 1.351 6.466 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.924 0.611 4.935 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.303 0.457 4.225 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.938 0.457 5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.324 2.846 6.116 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.637 2.855 4.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.634 3.272 3.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.264 1.846 4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.293 3.292 5.241 1.00 0.00 H new ATOM 442 N GLN A 31 3.094 0.355 7.910 1.00 0.00 N ATOM 443 CA GLN A 31 3.625 1.104 9.043 1.00 0.00 C ATOM 444 C GLN A 31 2.652 2.194 9.479 1.00 0.00 C ATOM 445 O GLN A 31 2.058 2.878 8.646 1.00 0.00 O ATOM 446 CB GLN A 31 4.977 1.724 8.683 1.00 0.00 C ATOM 447 CG GLN A 31 5.899 1.908 9.878 1.00 0.00 C ATOM 448 CD GLN A 31 6.868 3.059 9.694 1.00 0.00 C ATOM 449 OE1 GLN A 31 8.010 2.779 9.076 1.00 0.00 O flip ATOM 450 NE2 GLN A 31 6.595 4.187 10.104 1.00 0.00 N flip ATOM 0 H GLN A 31 3.539 0.568 7.017 1.00 0.00 H new ATOM 0 HA GLN A 31 3.761 0.411 9.873 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.473 1.092 7.946 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.809 2.692 8.211 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.299 2.082 10.772 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.460 0.988 10.044 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.706 4.358 10.574 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.258 4.951 9.974 1.00 0.00 H new ATOM 459 N ALA A 32 2.495 2.350 10.789 1.00 0.00 N ATOM 460 CA ALA A 32 1.595 3.359 11.336 1.00 0.00 C ATOM 461 C ALA A 32 2.230 4.744 11.287 1.00 0.00 C ATOM 462 O ALA A 32 3.266 4.985 11.906 1.00 0.00 O ATOM 463 CB ALA A 32 1.209 3.003 12.764 1.00 0.00 C ATOM 0 H ALA A 32 2.979 1.791 11.492 1.00 0.00 H new ATOM 0 HA ALA A 32 0.694 3.379 10.722 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.537 3.765 13.160 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.707 2.035 12.775 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.106 2.954 13.382 1.00 0.00 H new ATOM 536 N GLN A 38 4.347 1.589 14.877 1.00 0.00 N ATOM 537 CA GLN A 38 4.234 0.136 14.821 1.00 0.00 C ATOM 538 C GLN A 38 3.757 -0.320 13.446 1.00 0.00 C ATOM 539 O GLN A 38 3.527 0.498 12.555 1.00 0.00 O ATOM 540 CB GLN A 38 3.272 -0.364 15.900 1.00 0.00 C ATOM 541 CG GLN A 38 1.870 0.213 15.779 1.00 0.00 C ATOM 542 CD GLN A 38 0.901 -0.397 16.772 1.00 0.00 C ATOM 543 OE1 GLN A 38 1.061 -1.545 17.188 1.00 0.00 O ATOM 544 NE2 GLN A 38 -0.112 0.370 17.159 1.00 0.00 N ATOM 0 HA GLN A 38 5.222 -0.287 15.001 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.214 -1.451 15.848 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.676 -0.112 16.881 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.910 1.291 15.932 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.499 0.048 14.767 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.206 1.316 16.789 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.796 0.013 17.827 1.00 0.00 H new ATOM 553 N TRP A 39 3.611 -1.630 13.281 1.00 0.00 N ATOM 554 CA TRP A 39 3.162 -2.195 12.014 1.00 0.00 C ATOM 555 C TRP A 39 1.806 -2.875 12.171 1.00 0.00 C ATOM 556 O TRP A 39 1.559 -3.565 13.159 1.00 0.00 O ATOM 557 CB TRP A 39 4.190 -3.196 11.485 1.00 0.00 C ATOM 558 CG TRP A 39 5.516 -2.574 11.166 1.00 0.00 C ATOM 559 CD1 TRP A 39 6.540 -2.335 12.037 1.00 0.00 C ATOM 560 CD2 TRP A 39 5.959 -2.109 9.886 1.00 0.00 C ATOM 561 NE1 TRP A 39 7.593 -1.750 11.376 1.00 0.00 N ATOM 562 CE2 TRP A 39 7.262 -1.601 10.056 1.00 0.00 C ATOM 563 CE3 TRP A 39 5.382 -2.074 8.614 1.00 0.00 C ATOM 564 CZ2 TRP A 39 7.994 -1.065 9.000 1.00 0.00 C ATOM 565 CZ3 TRP A 39 6.111 -1.541 7.567 1.00 0.00 C ATOM 566 CH2 TRP A 39 7.406 -1.043 7.765 1.00 0.00 C ATOM 0 H TRP A 39 3.797 -2.320 14.008 1.00 0.00 H new ATOM 0 HA TRP A 39 3.058 -1.380 11.298 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.335 -3.983 12.225 1.00 0.00 H new ATOM 0 HB3 TRP A 39 3.795 -3.672 10.587 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.525 -2.571 13.091 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.478 -1.472 11.800 1.00 0.00 H new ATOM 0 HE3 TRP A 39 4.385 -2.456 8.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 8.992 -0.680 9.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 5.675 -1.508 6.579 1.00 0.00 H new ATOM 0 HH2 TRP A 39 7.950 -0.634 6.927 1.00 0.00 H new ATOM 577 N ASN A 40 0.931 -2.675 11.191 1.00 0.00 N ATOM 578 CA ASN A 40 -0.400 -3.270 11.222 1.00 0.00 C ATOM 579 C ASN A 40 -0.619 -4.177 10.015 1.00 0.00 C ATOM 580 O ASN A 40 -0.993 -3.716 8.937 1.00 0.00 O ATOM 581 CB ASN A 40 -1.469 -2.176 11.252 1.00 0.00 C ATOM 582 CG ASN A 40 -1.522 -1.455 12.585 1.00 0.00 C ATOM 583 OD1 ASN A 40 -2.230 -1.873 13.502 1.00 0.00 O ATOM 584 ND2 ASN A 40 -0.770 -0.366 12.699 1.00 0.00 N ATOM 0 H ASN A 40 1.120 -2.106 10.366 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.480 -3.873 12.126 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.269 -1.455 10.460 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.443 -2.618 11.042 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.764 0.160 13.573 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.199 -0.056 11.913 1.00 0.00 H new ATOM 591 N LYS A 41 -0.383 -5.471 10.204 1.00 0.00 N ATOM 592 CA LYS A 41 -0.556 -6.445 9.133 1.00 0.00 C ATOM 593 C LYS A 41 -1.962 -6.366 8.547 1.00 0.00 C ATOM 594 O LYS A 41 -2.953 -6.497 9.265 1.00 0.00 O ATOM 595 CB LYS A 41 -0.288 -7.859 9.654 1.00 0.00 C ATOM 596 CG LYS A 41 -0.346 -8.926 8.574 1.00 0.00 C ATOM 597 CD LYS A 41 -0.259 -10.323 9.166 1.00 0.00 C ATOM 598 CE LYS A 41 -0.667 -11.383 8.154 1.00 0.00 C ATOM 599 NZ LYS A 41 -0.382 -12.759 8.647 1.00 0.00 N ATOM 0 H LYS A 41 -0.071 -5.870 11.090 1.00 0.00 H new ATOM 0 HA LYS A 41 0.160 -6.212 8.345 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.695 -7.884 10.125 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.018 -8.097 10.428 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.274 -8.825 8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.472 -8.777 7.869 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.760 -10.514 9.504 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.903 -10.389 10.043 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.731 -11.288 7.937 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.135 -11.215 7.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.674 -13.452 7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.637 -12.858 8.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.910 -12.929 9.527 1.00 0.00 H new ATOM 613 N ARG A 42 -2.041 -6.152 7.237 1.00 0.00 N ATOM 614 CA ARG A 42 -3.325 -6.055 6.555 1.00 0.00 C ATOM 615 C ARG A 42 -3.241 -6.647 5.151 1.00 0.00 C ATOM 616 O ARG A 42 -2.162 -6.725 4.564 1.00 0.00 O ATOM 617 CB ARG A 42 -3.778 -4.596 6.479 1.00 0.00 C ATOM 618 CG ARG A 42 -3.923 -3.931 7.838 1.00 0.00 C ATOM 619 CD ARG A 42 -5.327 -4.102 8.395 1.00 0.00 C ATOM 620 NE ARG A 42 -5.342 -4.087 9.855 1.00 0.00 N ATOM 621 CZ ARG A 42 -6.451 -4.190 10.580 1.00 0.00 C ATOM 622 NH1 ARG A 42 -7.628 -4.314 9.982 1.00 0.00 N ATOM 623 NH2 ARG A 42 -6.384 -4.169 11.905 1.00 0.00 N ATOM 0 H ARG A 42 -1.230 -6.043 6.628 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.056 -6.625 7.128 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.060 -4.032 5.883 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.734 -4.548 5.957 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.200 -4.359 8.533 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.692 -2.869 7.751 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.966 -3.304 8.018 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.747 -5.042 8.038 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.453 -3.992 10.345 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.683 -4.330 8.964 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.478 -4.393 10.540 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.480 -4.074 12.369 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.236 -4.248 12.460 1.00 0.00 H new ATOM 637 N TRP A 43 -4.385 -7.063 4.621 1.00 0.00 N ATOM 638 CA TRP A 43 -4.441 -7.648 3.286 1.00 0.00 C ATOM 639 C TRP A 43 -4.270 -6.577 2.214 1.00 0.00 C ATOM 640 O TRP A 43 -5.110 -5.688 2.073 1.00 0.00 O ATOM 641 CB TRP A 43 -5.767 -8.383 3.083 1.00 0.00 C ATOM 642 CG TRP A 43 -5.893 -9.019 1.732 1.00 0.00 C ATOM 643 CD1 TRP A 43 -6.841 -8.750 0.786 1.00 0.00 C ATOM 644 CD2 TRP A 43 -5.045 -10.030 1.178 1.00 0.00 C ATOM 645 NE1 TRP A 43 -6.632 -9.534 -0.324 1.00 0.00 N ATOM 646 CE2 TRP A 43 -5.536 -10.327 -0.108 1.00 0.00 C ATOM 647 CE3 TRP A 43 -3.917 -10.713 1.642 1.00 0.00 C ATOM 648 CZ2 TRP A 43 -4.939 -11.277 -0.932 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -3.325 -11.655 0.823 1.00 0.00 C ATOM 650 CH2 TRP A 43 -3.836 -11.930 -0.452 1.00 0.00 C ATOM 0 H TRP A 43 -5.286 -7.006 5.095 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.621 -8.361 3.195 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -5.869 -9.151 3.849 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.589 -7.681 3.224 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.637 -8.028 0.894 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.201 -9.526 -1.171 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.515 -10.508 2.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.332 -11.491 -1.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.453 -12.189 1.172 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.350 -12.672 -1.068 1.00 0.00 H new ATOM 661 N PHE A 44 -3.179 -6.668 1.461 1.00 0.00 N ATOM 662 CA PHE A 44 -2.899 -5.705 0.402 1.00 0.00 C ATOM 663 C PHE A 44 -3.272 -6.275 -0.964 1.00 0.00 C ATOM 664 O PHE A 44 -3.041 -7.452 -1.242 1.00 0.00 O ATOM 665 CB PHE A 44 -1.420 -5.314 0.417 1.00 0.00 C ATOM 666 CG PHE A 44 -1.110 -4.177 1.349 1.00 0.00 C ATOM 667 CD1 PHE A 44 -1.570 -4.190 2.655 1.00 0.00 C ATOM 668 CD2 PHE A 44 -0.358 -3.096 0.918 1.00 0.00 C ATOM 669 CE1 PHE A 44 -1.287 -3.145 3.514 1.00 0.00 C ATOM 670 CE2 PHE A 44 -0.071 -2.048 1.772 1.00 0.00 C ATOM 671 CZ PHE A 44 -0.536 -2.073 3.072 1.00 0.00 C ATOM 0 H PHE A 44 -2.474 -7.398 1.564 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.504 -4.817 0.583 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.826 -6.181 0.705 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.115 -5.039 -0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.156 -5.026 3.006 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.008 -3.072 -0.098 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.653 -3.166 4.530 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.516 -1.211 1.423 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.313 -1.256 3.742 1.00 0.00 H new ATOM 681 N VAL A 45 -3.851 -5.431 -1.812 1.00 0.00 N ATOM 682 CA VAL A 45 -4.256 -5.850 -3.149 1.00 0.00 C ATOM 683 C VAL A 45 -3.969 -4.760 -4.176 1.00 0.00 C ATOM 684 O VAL A 45 -4.315 -3.595 -3.975 1.00 0.00 O ATOM 685 CB VAL A 45 -5.755 -6.202 -3.197 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.162 -6.614 -4.603 1.00 0.00 C ATOM 687 CG2 VAL A 45 -6.075 -7.303 -2.196 1.00 0.00 C ATOM 0 H VAL A 45 -4.050 -4.454 -1.597 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.674 -6.739 -3.393 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.328 -5.316 -2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.224 -6.859 -4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.970 -5.792 -5.293 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.584 -7.487 -4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.138 -7.540 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.494 -8.193 -2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.822 -6.966 -1.191 1.00 0.00 H new ATOM 697 N LEU A 46 -3.334 -5.146 -5.277 1.00 0.00 N ATOM 698 CA LEU A 46 -3.000 -4.202 -6.338 1.00 0.00 C ATOM 699 C LEU A 46 -3.951 -4.353 -7.521 1.00 0.00 C ATOM 700 O LEU A 46 -3.956 -5.380 -8.200 1.00 0.00 O ATOM 701 CB LEU A 46 -1.557 -4.413 -6.800 1.00 0.00 C ATOM 702 CG LEU A 46 -1.084 -3.527 -7.952 1.00 0.00 C ATOM 703 CD1 LEU A 46 -0.995 -2.075 -7.507 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.260 -4.008 -8.479 1.00 0.00 C ATOM 0 H LEU A 46 -3.040 -6.106 -5.458 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.104 -3.193 -5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.897 -4.250 -5.948 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.441 -5.455 -7.098 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.813 -3.595 -8.759 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.657 -1.459 -8.340 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.977 -1.734 -7.179 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.287 -1.990 -6.682 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.581 -3.365 -9.299 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.999 -3.971 -7.679 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.164 -5.033 -8.838 1.00 0.00 H new ATOM 716 N VAL A 47 -4.755 -3.322 -7.763 1.00 0.00 N ATOM 717 CA VAL A 47 -5.708 -3.338 -8.866 1.00 0.00 C ATOM 718 C VAL A 47 -5.790 -1.974 -9.542 1.00 0.00 C ATOM 719 O VAL A 47 -5.852 -0.942 -8.874 1.00 0.00 O ATOM 720 CB VAL A 47 -7.114 -3.747 -8.387 1.00 0.00 C ATOM 721 CG1 VAL A 47 -8.147 -3.478 -9.471 1.00 0.00 C ATOM 722 CG2 VAL A 47 -7.131 -5.210 -7.973 1.00 0.00 C ATOM 0 H VAL A 47 -4.765 -2.465 -7.210 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.348 -4.075 -9.584 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.372 -3.144 -7.516 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.134 -3.773 -9.114 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.152 -2.415 -9.714 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.897 -4.053 -10.363 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.132 -5.482 -7.637 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.852 -5.832 -8.824 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.421 -5.367 -7.161 1.00 0.00 H new ATOM 732 N ASP A 48 -5.790 -1.978 -10.870 1.00 0.00 N ATOM 733 CA ASP A 48 -5.865 -0.740 -11.638 1.00 0.00 C ATOM 734 C ASP A 48 -4.746 0.216 -11.239 1.00 0.00 C ATOM 735 O ASP A 48 -4.999 1.363 -10.870 1.00 0.00 O ATOM 736 CB ASP A 48 -7.225 -0.070 -11.432 1.00 0.00 C ATOM 737 CG ASP A 48 -7.611 0.825 -12.594 1.00 0.00 C ATOM 738 OD1 ASP A 48 -8.057 0.291 -13.631 1.00 0.00 O ATOM 739 OD2 ASP A 48 -7.466 2.059 -12.466 1.00 0.00 O ATOM 0 H ASP A 48 -5.739 -2.824 -11.437 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.747 -0.987 -12.693 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.988 -0.837 -11.299 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.201 0.519 -10.515 1.00 0.00 H new ATOM 744 N ARG A 49 -3.510 -0.264 -11.313 1.00 0.00 N ATOM 745 CA ARG A 49 -2.352 0.548 -10.957 1.00 0.00 C ATOM 746 C ARG A 49 -2.591 1.289 -9.645 1.00 0.00 C ATOM 747 O ARG A 49 -2.022 2.356 -9.412 1.00 0.00 O ATOM 748 CB ARG A 49 -2.042 1.548 -12.072 1.00 0.00 C ATOM 749 CG ARG A 49 -1.162 0.980 -13.174 1.00 0.00 C ATOM 750 CD ARG A 49 -1.003 1.963 -14.323 1.00 0.00 C ATOM 751 NE ARG A 49 -2.287 2.319 -14.920 1.00 0.00 N ATOM 752 CZ ARG A 49 -3.072 3.285 -14.454 1.00 0.00 C ATOM 753 NH1 ARG A 49 -2.705 3.986 -13.391 1.00 0.00 N ATOM 754 NH2 ARG A 49 -4.226 3.550 -15.052 1.00 0.00 N ATOM 0 H ARG A 49 -3.284 -1.211 -11.616 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.498 -0.117 -10.828 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.979 1.894 -12.509 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.551 2.420 -11.640 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.182 0.733 -12.767 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.596 0.052 -13.545 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.508 2.865 -13.963 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.357 1.528 -15.085 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.599 1.798 -15.740 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.818 3.785 -12.929 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.309 4.727 -13.035 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.512 3.012 -15.870 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.828 4.292 -14.694 1.00 0.00 H new ATOM 768 N CYS A 50 -3.435 0.718 -8.794 1.00 0.00 N ATOM 769 CA CYS A 50 -3.751 1.325 -7.506 1.00 0.00 C ATOM 770 C CYS A 50 -3.645 0.301 -6.381 1.00 0.00 C ATOM 771 O CYS A 50 -3.889 -0.889 -6.586 1.00 0.00 O ATOM 772 CB CYS A 50 -5.156 1.928 -7.533 1.00 0.00 C ATOM 773 SG CYS A 50 -5.435 3.207 -6.286 1.00 0.00 S ATOM 0 H CYS A 50 -3.913 -0.165 -8.972 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.027 2.118 -7.319 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.339 2.352 -8.520 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.885 1.130 -7.389 1.00 0.00 H new ATOM 0 HG CYS A 50 -6.575 2.998 -5.697 1.00 0.00 H new ATOM 779 N LEU A 51 -3.279 0.770 -5.194 1.00 0.00 N ATOM 780 CA LEU A 51 -3.140 -0.106 -4.035 1.00 0.00 C ATOM 781 C LEU A 51 -4.387 -0.053 -3.159 1.00 0.00 C ATOM 782 O LEU A 51 -4.886 1.025 -2.836 1.00 0.00 O ATOM 783 CB LEU A 51 -1.910 0.290 -3.217 1.00 0.00 C ATOM 784 CG LEU A 51 -1.258 -0.826 -2.400 1.00 0.00 C ATOM 785 CD1 LEU A 51 0.207 -0.514 -2.142 1.00 0.00 C ATOM 786 CD2 LEU A 51 -2.001 -1.031 -1.088 1.00 0.00 C ATOM 0 H LEU A 51 -3.073 1.751 -5.008 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.016 -1.127 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.163 0.699 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.194 1.092 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.315 -1.750 -2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.653 -1.320 -1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.732 -0.420 -3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.288 0.422 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.523 -1.829 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.977 -0.108 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.036 -1.303 -1.295 1.00 0.00 H new ATOM 798 N PHE A 52 -4.884 -1.224 -2.774 1.00 0.00 N ATOM 799 CA PHE A 52 -6.072 -1.311 -1.933 1.00 0.00 C ATOM 800 C PHE A 52 -5.873 -2.328 -0.813 1.00 0.00 C ATOM 801 O PHE A 52 -5.650 -3.512 -1.068 1.00 0.00 O ATOM 802 CB PHE A 52 -7.291 -1.694 -2.774 1.00 0.00 C ATOM 803 CG PHE A 52 -7.512 -0.793 -3.955 1.00 0.00 C ATOM 804 CD1 PHE A 52 -7.742 0.562 -3.776 1.00 0.00 C ATOM 805 CD2 PHE A 52 -7.491 -1.300 -5.245 1.00 0.00 C ATOM 806 CE1 PHE A 52 -7.945 1.394 -4.861 1.00 0.00 C ATOM 807 CE2 PHE A 52 -7.693 -0.472 -6.333 1.00 0.00 C ATOM 808 CZ PHE A 52 -7.922 0.876 -6.141 1.00 0.00 C ATOM 0 H PHE A 52 -4.482 -2.126 -3.031 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.241 -0.332 -1.485 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.172 -2.719 -3.126 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.179 -1.675 -2.142 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.763 0.973 -2.777 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.315 -2.354 -5.402 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.121 2.448 -4.708 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.672 -0.879 -7.333 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.083 1.524 -6.990 1.00 0.00 H new ATOM 818 N TYR A 53 -5.954 -1.857 0.426 1.00 0.00 N ATOM 819 CA TYR A 53 -5.779 -2.724 1.586 1.00 0.00 C ATOM 820 C TYR A 53 -7.108 -2.953 2.299 1.00 0.00 C ATOM 821 O TYR A 53 -7.815 -2.005 2.640 1.00 0.00 O ATOM 822 CB TYR A 53 -4.765 -2.115 2.556 1.00 0.00 C ATOM 823 CG TYR A 53 -5.284 -0.898 3.288 1.00 0.00 C ATOM 824 CD1 TYR A 53 -6.041 -1.030 4.446 1.00 0.00 C ATOM 825 CD2 TYR A 53 -5.017 0.384 2.823 1.00 0.00 C ATOM 826 CE1 TYR A 53 -6.517 0.079 5.118 1.00 0.00 C ATOM 827 CE2 TYR A 53 -5.487 1.498 3.489 1.00 0.00 C ATOM 828 CZ TYR A 53 -6.237 1.341 4.636 1.00 0.00 C ATOM 829 OH TYR A 53 -6.710 2.449 5.302 1.00 0.00 O ATOM 0 H TYR A 53 -6.140 -0.880 0.653 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.404 -3.686 1.236 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.473 -2.871 3.285 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.866 -1.841 2.004 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.261 -2.016 4.827 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.431 0.511 1.925 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.105 -0.041 6.016 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.269 2.487 3.114 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.092 3.198 5.170 1.00 0.00 H new ATOM 839 N TYR A 54 -7.441 -4.220 2.522 1.00 0.00 N ATOM 840 CA TYR A 54 -8.685 -4.576 3.193 1.00 0.00 C ATOM 841 C TYR A 54 -8.407 -5.262 4.528 1.00 0.00 C ATOM 842 O TYR A 54 -7.461 -6.039 4.655 1.00 0.00 O ATOM 843 CB TYR A 54 -9.526 -5.492 2.302 1.00 0.00 C ATOM 844 CG TYR A 54 -9.805 -4.914 0.933 1.00 0.00 C ATOM 845 CD1 TYR A 54 -8.919 -5.110 -0.119 1.00 0.00 C ATOM 846 CD2 TYR A 54 -10.954 -4.171 0.692 1.00 0.00 C ATOM 847 CE1 TYR A 54 -9.170 -4.583 -1.372 1.00 0.00 C ATOM 848 CE2 TYR A 54 -11.214 -3.642 -0.558 1.00 0.00 C ATOM 849 CZ TYR A 54 -10.319 -3.851 -1.586 1.00 0.00 C ATOM 850 OH TYR A 54 -10.573 -3.324 -2.832 1.00 0.00 O ATOM 0 H TYR A 54 -6.867 -5.017 2.248 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.240 -3.658 3.385 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.011 -6.446 2.187 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.473 -5.699 2.800 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.019 -5.684 0.045 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.656 -4.004 1.495 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.470 -4.744 -2.179 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.113 -3.068 -0.729 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.512 -3.048 -2.885 1.00 0.00 H new ATOM 860 N LYS A 55 -9.241 -4.969 5.520 1.00 0.00 N ATOM 861 CA LYS A 55 -9.089 -5.558 6.846 1.00 0.00 C ATOM 862 C LYS A 55 -8.806 -7.053 6.748 1.00 0.00 C ATOM 863 O LYS A 55 -8.101 -7.617 7.585 1.00 0.00 O ATOM 864 CB LYS A 55 -10.350 -5.319 7.680 1.00 0.00 C ATOM 865 CG LYS A 55 -11.608 -5.902 7.060 1.00 0.00 C ATOM 866 CD LYS A 55 -12.858 -5.217 7.586 1.00 0.00 C ATOM 867 CE LYS A 55 -14.070 -6.133 7.511 1.00 0.00 C ATOM 868 NZ LYS A 55 -13.979 -7.254 8.487 1.00 0.00 N ATOM 0 H LYS A 55 -10.029 -4.327 5.431 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.241 -5.078 7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.208 -5.752 8.670 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.486 -4.246 7.818 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.563 -5.796 5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.659 -6.969 7.274 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.697 -4.908 8.619 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.048 -4.312 7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.974 -5.556 7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.159 -6.536 6.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.929 -7.636 8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.372 -8.004 8.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.572 -6.906 9.379 1.00 0.00 H new ATOM 882 N ASP A 56 -9.361 -7.690 5.722 1.00 0.00 N ATOM 883 CA ASP A 56 -9.166 -9.120 5.514 1.00 0.00 C ATOM 884 C ASP A 56 -9.178 -9.459 4.027 1.00 0.00 C ATOM 885 O ASP A 56 -9.314 -8.576 3.181 1.00 0.00 O ATOM 886 CB ASP A 56 -10.252 -9.915 6.240 1.00 0.00 C ATOM 887 CG ASP A 56 -10.086 -9.880 7.746 1.00 0.00 C ATOM 888 OD1 ASP A 56 -10.587 -8.925 8.376 1.00 0.00 O ATOM 889 OD2 ASP A 56 -9.455 -10.808 8.296 1.00 0.00 O ATOM 0 H ASP A 56 -9.949 -7.238 5.022 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.193 -9.393 5.922 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.230 -9.513 5.976 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.230 -10.950 5.899 1.00 0.00 H new ATOM 894 N GLU A 57 -9.032 -10.744 3.717 1.00 0.00 N ATOM 895 CA GLU A 57 -9.024 -11.198 2.331 1.00 0.00 C ATOM 896 C GLU A 57 -10.445 -11.298 1.783 1.00 0.00 C ATOM 897 O GLU A 57 -10.799 -12.270 1.117 1.00 0.00 O ATOM 898 CB GLU A 57 -8.327 -12.556 2.220 1.00 0.00 C ATOM 899 CG GLU A 57 -8.967 -13.640 3.071 1.00 0.00 C ATOM 900 CD GLU A 57 -10.051 -14.399 2.331 1.00 0.00 C ATOM 901 OE1 GLU A 57 -9.709 -15.188 1.424 1.00 0.00 O ATOM 902 OE2 GLU A 57 -11.240 -14.205 2.658 1.00 0.00 O ATOM 0 H GLU A 57 -8.918 -11.488 4.406 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.475 -10.466 1.739 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.333 -12.874 1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.283 -12.444 2.514 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.199 -14.340 3.400 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.392 -13.189 3.968 1.00 0.00 H new ATOM 909 N LYS A 58 -11.256 -10.284 2.069 1.00 0.00 N ATOM 910 CA LYS A 58 -12.638 -10.255 1.606 1.00 0.00 C ATOM 911 C LYS A 58 -12.795 -9.306 0.422 1.00 0.00 C ATOM 912 O LYS A 58 -13.601 -9.548 -0.475 1.00 0.00 O ATOM 913 CB LYS A 58 -13.569 -9.828 2.743 1.00 0.00 C ATOM 914 CG LYS A 58 -12.904 -8.928 3.769 1.00 0.00 C ATOM 915 CD LYS A 58 -13.846 -8.596 4.914 1.00 0.00 C ATOM 916 CE LYS A 58 -14.900 -7.583 4.494 1.00 0.00 C ATOM 917 NZ LYS A 58 -14.306 -6.243 4.230 1.00 0.00 N ATOM 0 H LYS A 58 -10.979 -9.471 2.620 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.908 -11.260 1.282 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.430 -9.309 2.321 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.948 -10.718 3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.013 -9.418 4.161 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.576 -8.007 3.288 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.334 -9.507 5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.274 -8.201 5.754 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.408 -7.938 3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.655 -7.498 5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.994 -5.503 4.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.448 -6.124 4.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.061 -6.164 3.222 1.00 0.00 H new ATOM 931 N GLU A 59 -12.018 -8.227 0.427 1.00 0.00 N ATOM 932 CA GLU A 59 -12.072 -7.243 -0.647 1.00 0.00 C ATOM 933 C GLU A 59 -13.499 -6.745 -0.858 1.00 0.00 C ATOM 934 O GLU A 59 -13.971 -6.647 -1.990 1.00 0.00 O ATOM 935 CB GLU A 59 -11.532 -7.844 -1.947 1.00 0.00 C ATOM 936 CG GLU A 59 -10.015 -7.860 -2.026 1.00 0.00 C ATOM 937 CD GLU A 59 -9.503 -8.521 -3.291 1.00 0.00 C ATOM 938 OE1 GLU A 59 -9.894 -8.079 -4.392 1.00 0.00 O ATOM 939 OE2 GLU A 59 -8.712 -9.481 -3.180 1.00 0.00 O ATOM 0 H GLU A 59 -11.344 -8.013 1.162 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.449 -6.396 -0.360 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.903 -8.864 -2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.925 -7.277 -2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.642 -6.837 -1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.615 -8.386 -1.159 1.00 0.00 H new ATOM 946 N GLU A 60 -14.179 -6.433 0.240 1.00 0.00 N ATOM 947 CA GLU A 60 -15.552 -5.946 0.175 1.00 0.00 C ATOM 948 C GLU A 60 -15.601 -4.431 0.345 1.00 0.00 C ATOM 949 O GLU A 60 -16.105 -3.715 -0.520 1.00 0.00 O ATOM 950 CB GLU A 60 -16.406 -6.619 1.252 1.00 0.00 C ATOM 951 CG GLU A 60 -16.743 -8.069 0.944 1.00 0.00 C ATOM 952 CD GLU A 60 -18.016 -8.212 0.132 1.00 0.00 C ATOM 953 OE1 GLU A 60 -19.111 -8.116 0.725 1.00 0.00 O ATOM 954 OE2 GLU A 60 -17.917 -8.421 -1.095 1.00 0.00 O ATOM 0 H GLU A 60 -13.802 -6.509 1.185 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.953 -6.197 -0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.878 -6.572 2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -17.332 -6.057 1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.916 -8.522 0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.849 -8.620 1.879 1.00 0.00 H new ATOM 961 N SER A 61 -15.075 -3.949 1.466 1.00 0.00 N ATOM 962 CA SER A 61 -15.062 -2.520 1.753 1.00 0.00 C ATOM 963 C SER A 61 -13.632 -1.989 1.806 1.00 0.00 C ATOM 964 O SER A 61 -12.806 -2.478 2.576 1.00 0.00 O ATOM 965 CB SER A 61 -15.773 -2.237 3.078 1.00 0.00 C ATOM 966 OG SER A 61 -15.239 -3.032 4.122 1.00 0.00 O ATOM 0 H SER A 61 -14.652 -4.528 2.191 1.00 0.00 H new ATOM 0 HA SER A 61 -15.591 -2.009 0.949 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.671 -1.182 3.331 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.839 -2.438 2.973 1.00 0.00 H new ATOM 0 HG SER A 61 -14.293 -3.215 3.943 1.00 0.00 H new ATOM 972 N ILE A 62 -13.349 -0.986 0.982 1.00 0.00 N ATOM 973 CA ILE A 62 -12.021 -0.388 0.935 1.00 0.00 C ATOM 974 C ILE A 62 -11.814 0.582 2.094 1.00 0.00 C ATOM 975 O ILE A 62 -12.502 1.598 2.198 1.00 0.00 O ATOM 976 CB ILE A 62 -11.786 0.358 -0.392 1.00 0.00 C ATOM 977 CG1 ILE A 62 -11.963 -0.595 -1.576 1.00 0.00 C ATOM 978 CG2 ILE A 62 -10.398 0.982 -0.410 1.00 0.00 C ATOM 979 CD1 ILE A 62 -12.028 0.109 -2.913 1.00 0.00 C ATOM 0 H ILE A 62 -14.022 -0.570 0.338 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.304 -1.205 1.015 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.523 1.156 -0.479 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.136 -1.305 -1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.876 -1.173 -1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.247 1.506 -1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.306 1.688 0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.646 0.200 -0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.154 -0.628 -3.706 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.872 0.798 -2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -11.105 0.664 -3.077 1.00 0.00 H new ATOM 991 N LEU A 63 -10.860 0.263 2.961 1.00 0.00 N ATOM 992 CA LEU A 63 -10.560 1.107 4.113 1.00 0.00 C ATOM 993 C LEU A 63 -9.733 2.320 3.698 1.00 0.00 C ATOM 994 O LEU A 63 -10.019 3.446 4.101 1.00 0.00 O ATOM 995 CB LEU A 63 -9.809 0.303 5.177 1.00 0.00 C ATOM 996 CG LEU A 63 -10.479 -0.992 5.636 1.00 0.00 C ATOM 997 CD1 LEU A 63 -9.567 -1.758 6.582 1.00 0.00 C ATOM 998 CD2 LEU A 63 -11.814 -0.695 6.303 1.00 0.00 C ATOM 0 H LEU A 63 -10.281 -0.573 2.889 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.503 1.459 4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.820 0.059 4.789 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.661 0.941 6.048 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.664 -1.613 4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.060 -2.677 6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.636 -2.003 6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.350 -1.143 7.456 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.276 -1.629 6.623 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.653 -0.054 7.170 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.470 -0.189 5.595 1.00 0.00 H new ATOM 1010 N GLY A 64 -8.706 2.081 2.888 1.00 0.00 N ATOM 1011 CA GLY A 64 -7.855 3.163 2.430 1.00 0.00 C ATOM 1012 C GLY A 64 -7.209 2.866 1.091 1.00 0.00 C ATOM 1013 O GLY A 64 -6.722 1.760 0.861 1.00 0.00 O ATOM 0 H GLY A 64 -8.448 1.157 2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.445 4.076 2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.078 3.349 3.172 1.00 0.00 H new ATOM 1017 N SER A 65 -7.206 3.857 0.205 1.00 0.00 N ATOM 1018 CA SER A 65 -6.620 3.695 -1.121 1.00 0.00 C ATOM 1019 C SER A 65 -5.498 4.704 -1.346 1.00 0.00 C ATOM 1020 O SER A 65 -5.548 5.826 -0.843 1.00 0.00 O ATOM 1021 CB SER A 65 -7.693 3.858 -2.199 1.00 0.00 C ATOM 1022 OG SER A 65 -7.108 4.035 -3.478 1.00 0.00 O ATOM 0 H SER A 65 -7.603 4.780 0.381 1.00 0.00 H new ATOM 0 HA SER A 65 -6.200 2.691 -1.186 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.339 2.980 -2.209 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.324 4.715 -1.962 1.00 0.00 H new ATOM 0 HG SER A 65 -6.777 3.174 -3.808 1.00 0.00 H new ATOM 1028 N ILE A 66 -4.487 4.295 -2.105 1.00 0.00 N ATOM 1029 CA ILE A 66 -3.354 5.163 -2.399 1.00 0.00 C ATOM 1030 C ILE A 66 -2.847 4.945 -3.820 1.00 0.00 C ATOM 1031 O ILE A 66 -2.490 3.835 -4.215 1.00 0.00 O ATOM 1032 CB ILE A 66 -2.195 4.928 -1.411 1.00 0.00 C ATOM 1033 CG1 ILE A 66 -2.664 5.167 0.025 1.00 0.00 C ATOM 1034 CG2 ILE A 66 -1.020 5.835 -1.748 1.00 0.00 C ATOM 1035 CD1 ILE A 66 -1.813 4.468 1.062 1.00 0.00 C ATOM 0 H ILE A 66 -4.430 3.368 -2.527 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.708 6.189 -2.296 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.867 3.892 -1.498 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.661 6.238 0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.695 4.827 0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.209 5.658 -1.042 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.674 5.621 -2.759 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.335 6.877 -1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.203 4.682 2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.836 3.392 0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.786 4.826 0.991 1.00 0.00 H new ATOM 1047 N PRO A 67 -2.813 6.029 -4.609 1.00 0.00 N ATOM 1048 CA PRO A 67 -2.349 5.983 -5.999 1.00 0.00 C ATOM 1049 C PRO A 67 -0.847 5.740 -6.101 1.00 0.00 C ATOM 1050 O PRO A 67 -0.046 6.512 -5.575 1.00 0.00 O ATOM 1051 CB PRO A 67 -2.704 7.371 -6.538 1.00 0.00 C ATOM 1052 CG PRO A 67 -2.735 8.248 -5.335 1.00 0.00 C ATOM 1053 CD PRO A 67 -3.223 7.384 -4.205 1.00 0.00 C ATOM 0 HA PRO A 67 -2.808 5.165 -6.555 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.964 7.716 -7.261 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.668 7.363 -7.047 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.745 8.650 -5.119 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.398 9.099 -5.490 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.773 7.673 -3.255 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.304 7.457 -4.081 1.00 0.00 H new ATOM 1061 N LEU A 68 -0.472 4.662 -6.782 1.00 0.00 N ATOM 1062 CA LEU A 68 0.935 4.317 -6.954 1.00 0.00 C ATOM 1063 C LEU A 68 1.483 4.900 -8.253 1.00 0.00 C ATOM 1064 O LEU A 68 2.682 5.154 -8.374 1.00 0.00 O ATOM 1065 CB LEU A 68 1.112 2.798 -6.949 1.00 0.00 C ATOM 1066 CG LEU A 68 1.126 2.129 -5.574 1.00 0.00 C ATOM 1067 CD1 LEU A 68 1.032 0.617 -5.716 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.380 2.517 -4.805 1.00 0.00 C ATOM 0 H LEU A 68 -1.123 4.012 -7.224 1.00 0.00 H new ATOM 0 HA LEU A 68 1.493 4.744 -6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.308 2.357 -7.538 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.047 2.559 -7.457 1.00 0.00 H new ATOM 0 HG LEU A 68 0.258 2.476 -5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.043 0.157 -4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.105 0.356 -6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.880 0.253 -6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.373 2.032 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.261 2.199 -5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.405 3.599 -4.672 1.00 0.00 H new ATOM 1080 N LEU A 69 0.598 5.113 -9.220 1.00 0.00 N ATOM 1081 CA LEU A 69 0.993 5.669 -10.510 1.00 0.00 C ATOM 1082 C LEU A 69 1.754 6.978 -10.328 1.00 0.00 C ATOM 1083 O LEU A 69 2.407 7.461 -11.253 1.00 0.00 O ATOM 1084 CB LEU A 69 -0.239 5.900 -11.387 1.00 0.00 C ATOM 1085 CG LEU A 69 -0.108 6.984 -12.457 1.00 0.00 C ATOM 1086 CD1 LEU A 69 0.736 6.487 -13.620 1.00 0.00 C ATOM 1087 CD2 LEU A 69 -1.482 7.424 -12.941 1.00 0.00 C ATOM 0 H LEU A 69 -0.398 4.909 -9.136 1.00 0.00 H new ATOM 0 HA LEU A 69 1.651 4.952 -11.001 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.491 4.961 -11.879 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.078 6.156 -10.740 1.00 0.00 H new ATOM 0 HG LEU A 69 0.392 7.846 -12.015 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.818 7.272 -14.372 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.731 6.223 -13.261 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.265 5.609 -14.062 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.370 8.196 -13.702 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.009 6.570 -13.366 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.053 7.822 -12.102 1.00 0.00 H new ATOM 1099 N SER A 70 1.668 7.545 -9.130 1.00 0.00 N ATOM 1100 CA SER A 70 2.348 8.799 -8.827 1.00 0.00 C ATOM 1101 C SER A 70 3.283 8.636 -7.632 1.00 0.00 C ATOM 1102 O SER A 70 3.341 9.495 -6.752 1.00 0.00 O ATOM 1103 CB SER A 70 1.327 9.902 -8.542 1.00 0.00 C ATOM 1104 OG SER A 70 0.541 9.588 -7.406 1.00 0.00 O ATOM 0 H SER A 70 1.134 7.156 -8.353 1.00 0.00 H new ATOM 0 HA SER A 70 2.943 9.079 -9.696 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.844 10.848 -8.380 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.681 10.037 -9.409 1.00 0.00 H new ATOM 0 HG SER A 70 -0.102 10.309 -7.244 1.00 0.00 H new ATOM 1110 N PHE A 71 4.014 7.526 -7.609 1.00 0.00 N ATOM 1111 CA PHE A 71 4.946 7.248 -6.522 1.00 0.00 C ATOM 1112 C PHE A 71 6.156 6.470 -7.030 1.00 0.00 C ATOM 1113 O PHE A 71 6.081 5.776 -8.045 1.00 0.00 O ATOM 1114 CB PHE A 71 4.248 6.460 -5.412 1.00 0.00 C ATOM 1115 CG PHE A 71 3.460 7.323 -4.469 1.00 0.00 C ATOM 1116 CD1 PHE A 71 2.254 7.880 -4.862 1.00 0.00 C ATOM 1117 CD2 PHE A 71 3.925 7.577 -3.188 1.00 0.00 C ATOM 1118 CE1 PHE A 71 1.527 8.676 -3.996 1.00 0.00 C ATOM 1119 CE2 PHE A 71 3.202 8.371 -2.318 1.00 0.00 C ATOM 1120 CZ PHE A 71 2.001 8.920 -2.722 1.00 0.00 C ATOM 0 H PHE A 71 3.979 6.805 -8.330 1.00 0.00 H new ATOM 0 HA PHE A 71 5.291 8.200 -6.120 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.581 5.725 -5.863 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.996 5.906 -4.845 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.877 7.690 -5.856 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.863 7.149 -2.866 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.589 9.106 -4.316 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.576 8.562 -1.323 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.433 9.539 -2.043 1.00 0.00 H new ATOM 1130 N ARG A 72 7.272 6.590 -6.317 1.00 0.00 N ATOM 1131 CA ARG A 72 8.499 5.900 -6.696 1.00 0.00 C ATOM 1132 C ARG A 72 8.858 4.828 -5.670 1.00 0.00 C ATOM 1133 O ARG A 72 9.708 5.042 -4.806 1.00 0.00 O ATOM 1134 CB ARG A 72 9.650 6.898 -6.831 1.00 0.00 C ATOM 1135 CG ARG A 72 9.850 7.767 -5.600 1.00 0.00 C ATOM 1136 CD ARG A 72 10.760 8.949 -5.894 1.00 0.00 C ATOM 1137 NE ARG A 72 12.130 8.529 -6.175 1.00 0.00 N ATOM 1138 CZ ARG A 72 12.995 9.258 -6.871 1.00 0.00 C ATOM 1139 NH1 ARG A 72 12.634 10.439 -7.353 1.00 0.00 N ATOM 1140 NH2 ARG A 72 14.225 8.807 -7.084 1.00 0.00 N ATOM 0 H ARG A 72 7.351 7.159 -5.474 1.00 0.00 H new ATOM 0 HA ARG A 72 8.332 5.417 -7.659 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.571 6.352 -7.033 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.464 7.540 -7.692 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.884 8.129 -5.248 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.278 7.168 -4.796 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.369 9.504 -6.747 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.757 9.629 -5.042 1.00 0.00 H new ATOM 0 HE ARG A 72 12.440 7.626 -5.817 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.690 10.790 -7.190 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.300 10.997 -7.887 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.507 7.900 -6.713 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.888 9.368 -7.619 1.00 0.00 H new ATOM 1154 N VAL A 73 8.205 3.675 -5.773 1.00 0.00 N ATOM 1155 CA VAL A 73 8.456 2.570 -4.856 1.00 0.00 C ATOM 1156 C VAL A 73 9.922 2.153 -4.885 1.00 0.00 C ATOM 1157 O VAL A 73 10.520 2.027 -5.953 1.00 0.00 O ATOM 1158 CB VAL A 73 7.580 1.350 -5.195 1.00 0.00 C ATOM 1159 CG1 VAL A 73 7.875 0.200 -4.244 1.00 0.00 C ATOM 1160 CG2 VAL A 73 6.106 1.724 -5.151 1.00 0.00 C ATOM 0 H VAL A 73 7.498 3.482 -6.482 1.00 0.00 H new ATOM 0 HA VAL A 73 8.202 2.924 -3.857 1.00 0.00 H new ATOM 0 HB VAL A 73 7.819 1.023 -6.207 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.247 -0.653 -4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.924 -0.083 -4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.666 0.511 -3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.501 0.850 -5.393 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.850 2.077 -4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.909 2.513 -5.876 1.00 0.00 H new ATOM 1170 N ALA A 74 10.495 1.941 -3.705 1.00 0.00 N ATOM 1171 CA ALA A 74 11.891 1.535 -3.596 1.00 0.00 C ATOM 1172 C ALA A 74 12.192 0.974 -2.210 1.00 0.00 C ATOM 1173 O ALA A 74 11.744 1.515 -1.200 1.00 0.00 O ATOM 1174 CB ALA A 74 12.807 2.711 -3.902 1.00 0.00 C ATOM 0 H ALA A 74 10.014 2.044 -2.811 1.00 0.00 H new ATOM 0 HA ALA A 74 12.074 0.747 -4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.846 2.394 -3.817 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.617 3.066 -4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.614 3.516 -3.193 1.00 0.00 H new ATOM 1180 N ALA A 75 12.954 -0.114 -2.171 1.00 0.00 N ATOM 1181 CA ALA A 75 13.316 -0.748 -0.909 1.00 0.00 C ATOM 1182 C ALA A 75 13.947 0.257 0.049 1.00 0.00 C ATOM 1183 O ALA A 75 14.679 1.154 -0.370 1.00 0.00 O ATOM 1184 CB ALA A 75 14.265 -1.912 -1.156 1.00 0.00 C ATOM 0 H ALA A 75 13.333 -0.575 -2.999 1.00 0.00 H new ATOM 0 HA ALA A 75 12.405 -1.128 -0.447 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.527 -2.376 -0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.779 -2.648 -1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.169 -1.547 -1.643 1.00 0.00 H new ATOM 1190 N VAL A 76 13.658 0.102 1.337 1.00 0.00 N ATOM 1191 CA VAL A 76 14.197 0.996 2.355 1.00 0.00 C ATOM 1192 C VAL A 76 15.716 1.092 2.253 1.00 0.00 C ATOM 1193 O VAL A 76 16.373 0.174 1.763 1.00 0.00 O ATOM 1194 CB VAL A 76 13.817 0.527 3.772 1.00 0.00 C ATOM 1195 CG1 VAL A 76 12.339 0.767 4.035 1.00 0.00 C ATOM 1196 CG2 VAL A 76 14.170 -0.941 3.959 1.00 0.00 C ATOM 0 H VAL A 76 13.053 -0.635 1.700 1.00 0.00 H new ATOM 0 HA VAL A 76 13.761 1.979 2.177 1.00 0.00 H new ATOM 0 HB VAL A 76 14.389 1.109 4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.089 0.429 5.041 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.122 1.831 3.945 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.745 0.213 3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.895 -1.256 4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.627 -1.542 3.230 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.242 -1.079 3.816 1.00 0.00 H new ATOM 1206 N GLN A 77 16.265 2.208 2.720 1.00 0.00 N ATOM 1207 CA GLN A 77 17.707 2.424 2.681 1.00 0.00 C ATOM 1208 C GLN A 77 18.376 1.853 3.927 1.00 0.00 C ATOM 1209 O GLN A 77 17.748 1.669 4.970 1.00 0.00 O ATOM 1210 CB GLN A 77 18.017 3.916 2.559 1.00 0.00 C ATOM 1211 CG GLN A 77 17.861 4.457 1.146 1.00 0.00 C ATOM 1212 CD GLN A 77 18.344 5.887 1.012 1.00 0.00 C ATOM 1213 OE1 GLN A 77 19.487 6.135 0.626 1.00 0.00 O ATOM 1214 NE2 GLN A 77 17.474 6.839 1.330 1.00 0.00 N ATOM 0 H GLN A 77 15.734 2.977 3.130 1.00 0.00 H new ATOM 0 HA GLN A 77 18.104 1.906 1.808 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.358 4.471 3.226 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.038 4.095 2.897 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.417 3.823 0.455 1.00 0.00 H new ATOM 0 HG3 GLN A 77 16.812 4.403 0.854 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.537 6.589 1.645 1.00 0.00 H new ATOM 0 HE22 GLN A 77 17.743 7.820 1.259 1.00 0.00 H new ATOM 1223 N PRO A 78 19.682 1.566 3.819 1.00 0.00 N ATOM 1224 CA PRO A 78 20.465 1.012 4.927 1.00 0.00 C ATOM 1225 C PRO A 78 20.680 2.024 6.047 1.00 0.00 C ATOM 1226 O PRO A 78 21.368 1.742 7.028 1.00 0.00 O ATOM 1227 CB PRO A 78 21.799 0.648 4.272 1.00 0.00 C ATOM 1228 CG PRO A 78 21.902 1.553 3.093 1.00 0.00 C ATOM 1229 CD PRO A 78 20.494 1.760 2.606 1.00 0.00 C ATOM 0 HA PRO A 78 19.962 0.168 5.399 1.00 0.00 H new ATOM 0 HB2 PRO A 78 22.631 0.798 4.960 1.00 0.00 H new ATOM 0 HB3 PRO A 78 21.819 -0.399 3.970 1.00 0.00 H new ATOM 0 HG2 PRO A 78 22.363 2.502 3.368 1.00 0.00 H new ATOM 0 HG3 PRO A 78 22.523 1.110 2.314 1.00 0.00 H new ATOM 0 HD2 PRO A 78 20.357 2.756 2.185 1.00 0.00 H new ATOM 0 HD3 PRO A 78 20.229 1.046 1.827 1.00 0.00 H new ATOM 1237 N SER A 79 20.088 3.205 5.894 1.00 0.00 N ATOM 1238 CA SER A 79 20.219 4.260 6.891 1.00 0.00 C ATOM 1239 C SER A 79 18.848 4.783 7.311 1.00 0.00 C ATOM 1240 O SER A 79 18.694 5.959 7.640 1.00 0.00 O ATOM 1241 CB SER A 79 21.068 5.408 6.342 1.00 0.00 C ATOM 1242 OG SER A 79 21.606 6.193 7.392 1.00 0.00 O ATOM 0 H SER A 79 19.513 3.454 5.089 1.00 0.00 H new ATOM 0 HA SER A 79 20.713 3.839 7.767 1.00 0.00 H new ATOM 0 HB2 SER A 79 21.878 5.006 5.733 1.00 0.00 H new ATOM 0 HB3 SER A 79 20.459 6.035 5.690 1.00 0.00 H new ATOM 0 HG SER A 79 20.882 6.493 7.980 1.00 0.00 H new ATOM 1248 N ASP A 80 17.856 3.899 7.299 1.00 0.00 N ATOM 1249 CA ASP A 80 16.498 4.269 7.679 1.00 0.00 C ATOM 1250 C ASP A 80 16.131 3.670 9.033 1.00 0.00 C ATOM 1251 O ASP A 80 16.800 2.761 9.523 1.00 0.00 O ATOM 1252 CB ASP A 80 15.503 3.804 6.615 1.00 0.00 C ATOM 1253 CG ASP A 80 15.601 4.613 5.337 1.00 0.00 C ATOM 1254 OD1 ASP A 80 16.645 5.266 5.128 1.00 0.00 O ATOM 1255 OD2 ASP A 80 14.635 4.594 4.546 1.00 0.00 O ATOM 0 H ASP A 80 17.967 2.921 7.030 1.00 0.00 H new ATOM 0 HA ASP A 80 16.452 5.355 7.758 1.00 0.00 H new ATOM 0 HB2 ASP A 80 15.681 2.752 6.390 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.490 3.878 7.012 1.00 0.00 H new ATOM 1260 N ASN A 81 15.064 4.188 9.634 1.00 0.00 N ATOM 1261 CA ASN A 81 14.609 3.705 10.933 1.00 0.00 C ATOM 1262 C ASN A 81 13.689 2.498 10.773 1.00 0.00 C ATOM 1263 O ASN A 81 12.628 2.428 11.392 1.00 0.00 O ATOM 1264 CB ASN A 81 13.880 4.819 11.687 1.00 0.00 C ATOM 1265 CG ASN A 81 14.683 6.104 11.737 1.00 0.00 C ATOM 1266 OD1 ASN A 81 15.344 6.398 12.733 1.00 0.00 O ATOM 1267 ND2 ASN A 81 14.628 6.878 10.659 1.00 0.00 N ATOM 0 H ASN A 81 14.499 4.942 9.242 1.00 0.00 H new ATOM 0 HA ASN A 81 15.484 3.399 11.506 1.00 0.00 H new ATOM 0 HB2 ASN A 81 12.921 5.012 11.207 1.00 0.00 H new ATOM 0 HB3 ASN A 81 13.667 4.487 12.703 1.00 0.00 H new ATOM 0 HD21 ASN A 81 15.147 7.756 10.634 1.00 0.00 H new ATOM 0 HD22 ASN A 81 14.067 6.595 9.856 1.00 0.00 H new ATOM 1274 N ILE A 82 14.105 1.551 9.939 1.00 0.00 N ATOM 1275 CA ILE A 82 13.320 0.347 9.699 1.00 0.00 C ATOM 1276 C ILE A 82 14.138 -0.909 9.983 1.00 0.00 C ATOM 1277 O ILE A 82 14.757 -1.475 9.082 1.00 0.00 O ATOM 1278 CB ILE A 82 12.802 0.291 8.249 1.00 0.00 C ATOM 1279 CG1 ILE A 82 12.009 1.557 7.919 1.00 0.00 C ATOM 1280 CG2 ILE A 82 11.944 -0.948 8.040 1.00 0.00 C ATOM 1281 CD1 ILE A 82 10.651 1.610 8.584 1.00 0.00 C ATOM 0 H ILE A 82 14.981 1.594 9.418 1.00 0.00 H new ATOM 0 HA ILE A 82 12.469 0.385 10.379 1.00 0.00 H new ATOM 0 HB ILE A 82 13.657 0.234 7.575 1.00 0.00 H new ATOM 0 HG12 ILE A 82 12.588 2.429 8.224 1.00 0.00 H new ATOM 0 HG13 ILE A 82 11.878 1.623 6.839 1.00 0.00 H new ATOM 0 HG21 ILE A 82 11.586 -0.973 7.011 1.00 0.00 H new ATOM 0 HG22 ILE A 82 12.538 -1.840 8.239 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.093 -0.920 8.720 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.145 2.535 8.305 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.054 0.758 8.260 1.00 0.00 H new ATOM 0 HD13 ILE A 82 10.774 1.576 9.666 1.00 0.00 H new ATOM 1293 N SER A 83 14.135 -1.338 11.241 1.00 0.00 N ATOM 1294 CA SER A 83 14.879 -2.526 11.645 1.00 0.00 C ATOM 1295 C SER A 83 14.490 -3.727 10.788 1.00 0.00 C ATOM 1296 O SER A 83 15.349 -4.483 10.334 1.00 0.00 O ATOM 1297 CB SER A 83 14.625 -2.835 13.121 1.00 0.00 C ATOM 1298 OG SER A 83 13.237 -2.937 13.390 1.00 0.00 O ATOM 0 H SER A 83 13.626 -0.881 11.998 1.00 0.00 H new ATOM 0 HA SER A 83 15.941 -2.327 11.501 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.120 -3.768 13.391 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.062 -2.051 13.740 1.00 0.00 H new ATOM 0 HG SER A 83 13.102 -3.137 14.340 1.00 0.00 H new ATOM 1304 N ARG A 84 13.190 -3.897 10.573 1.00 0.00 N ATOM 1305 CA ARG A 84 12.686 -5.007 9.772 1.00 0.00 C ATOM 1306 C ARG A 84 13.296 -4.988 8.373 1.00 0.00 C ATOM 1307 O ARG A 84 13.163 -4.009 7.639 1.00 0.00 O ATOM 1308 CB ARG A 84 11.161 -4.943 9.677 1.00 0.00 C ATOM 1309 CG ARG A 84 10.454 -5.277 10.981 1.00 0.00 C ATOM 1310 CD ARG A 84 9.008 -4.807 10.967 1.00 0.00 C ATOM 1311 NE ARG A 84 8.211 -5.459 12.001 1.00 0.00 N ATOM 1312 CZ ARG A 84 8.324 -5.189 13.297 1.00 0.00 C ATOM 1313 NH1 ARG A 84 9.198 -4.283 13.714 1.00 0.00 N ATOM 1314 NH2 ARG A 84 7.563 -5.825 14.178 1.00 0.00 N ATOM 0 H ARG A 84 12.466 -3.280 10.942 1.00 0.00 H new ATOM 0 HA ARG A 84 12.974 -5.937 10.262 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.867 -3.942 9.360 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.824 -5.634 8.904 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.486 -6.354 11.148 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.982 -4.809 11.812 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.976 -3.727 11.112 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.570 -5.010 9.990 1.00 0.00 H new ATOM 0 HE ARG A 84 7.529 -6.161 11.713 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.785 -3.792 13.039 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.283 -4.077 14.709 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.890 -6.523 13.861 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.651 -5.616 15.173 1.00 0.00 H new ATOM 1328 N LYS A 85 13.965 -6.077 8.011 1.00 0.00 N ATOM 1329 CA LYS A 85 14.595 -6.189 6.701 1.00 0.00 C ATOM 1330 C LYS A 85 13.569 -6.559 5.634 1.00 0.00 C ATOM 1331 O LYS A 85 12.468 -7.013 5.948 1.00 0.00 O ATOM 1332 CB LYS A 85 15.711 -7.235 6.736 1.00 0.00 C ATOM 1333 CG LYS A 85 17.051 -6.680 7.186 1.00 0.00 C ATOM 1334 CD LYS A 85 18.165 -7.698 7.008 1.00 0.00 C ATOM 1335 CE LYS A 85 18.654 -7.742 5.568 1.00 0.00 C ATOM 1336 NZ LYS A 85 19.624 -6.650 5.279 1.00 0.00 N ATOM 0 H LYS A 85 14.085 -6.896 8.607 1.00 0.00 H new ATOM 0 HA LYS A 85 15.023 -5.219 6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.419 -8.044 7.406 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.822 -7.669 5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.284 -5.781 6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.990 -6.385 8.234 1.00 0.00 H new ATOM 0 HD2 LYS A 85 18.996 -7.449 7.668 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.808 -8.685 7.303 1.00 0.00 H new ATOM 0 HE2 LYS A 85 19.124 -8.706 5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 85 17.803 -7.660 4.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 19.934 -6.714 4.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 19.168 -5.729 5.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.448 -6.743 5.906 1.00 0.00 H new ATOM 1350 N HIS A 86 13.938 -6.364 4.372 1.00 0.00 N ATOM 1351 CA HIS A 86 13.050 -6.680 3.258 1.00 0.00 C ATOM 1352 C HIS A 86 11.837 -5.756 3.252 1.00 0.00 C ATOM 1353 O HIS A 86 10.700 -6.206 3.102 1.00 0.00 O ATOM 1354 CB HIS A 86 12.596 -8.138 3.339 1.00 0.00 C ATOM 1355 CG HIS A 86 13.676 -9.079 3.775 1.00 0.00 C ATOM 1356 ND1 HIS A 86 14.958 -9.039 3.269 1.00 0.00 N ATOM 1357 CD2 HIS A 86 13.660 -10.089 4.675 1.00 0.00 C ATOM 1358 CE1 HIS A 86 15.684 -9.985 3.839 1.00 0.00 C ATOM 1359 NE2 HIS A 86 14.919 -10.636 4.697 1.00 0.00 N ATOM 0 H HIS A 86 14.845 -5.989 4.095 1.00 0.00 H new ATOM 0 HA HIS A 86 13.602 -6.531 2.330 1.00 0.00 H new ATOM 0 HB2 HIS A 86 11.760 -8.211 4.034 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.227 -8.450 2.362 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.814 -10.406 5.266 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.725 -10.191 3.638 1.00 0.00 H new ATOM 0 HE2 HIS A 86 15.216 -11.418 5.281 1.00 0.00 H new ATOM 1368 N THR A 87 12.085 -4.460 3.416 1.00 0.00 N ATOM 1369 CA THR A 87 11.013 -3.472 3.431 1.00 0.00 C ATOM 1370 C THR A 87 11.167 -2.477 2.287 1.00 0.00 C ATOM 1371 O THR A 87 12.264 -2.282 1.764 1.00 0.00 O ATOM 1372 CB THR A 87 10.977 -2.703 4.765 1.00 0.00 C ATOM 1373 OG1 THR A 87 10.689 -3.602 5.842 1.00 0.00 O ATOM 1374 CG2 THR A 87 9.931 -1.599 4.725 1.00 0.00 C ATOM 0 H THR A 87 13.019 -4.070 3.540 1.00 0.00 H new ATOM 0 HA THR A 87 10.077 -4.018 3.310 1.00 0.00 H new ATOM 0 HB THR A 87 11.955 -2.249 4.924 1.00 0.00 H new ATOM 0 HG1 THR A 87 11.489 -3.716 6.396 1.00 0.00 H new ATOM 0 HG21 THR A 87 9.924 -1.070 5.678 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.170 -0.900 3.924 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.948 -2.035 4.545 1.00 0.00 H new ATOM 1382 N PHE A 88 10.060 -1.848 1.904 1.00 0.00 N ATOM 1383 CA PHE A 88 10.073 -0.872 0.821 1.00 0.00 C ATOM 1384 C PHE A 88 9.024 0.212 1.054 1.00 0.00 C ATOM 1385 O PHE A 88 7.866 -0.081 1.349 1.00 0.00 O ATOM 1386 CB PHE A 88 9.818 -1.563 -0.520 1.00 0.00 C ATOM 1387 CG PHE A 88 8.544 -2.358 -0.553 1.00 0.00 C ATOM 1388 CD1 PHE A 88 8.415 -3.516 0.198 1.00 0.00 C ATOM 1389 CD2 PHE A 88 7.475 -1.948 -1.333 1.00 0.00 C ATOM 1390 CE1 PHE A 88 7.244 -4.250 0.169 1.00 0.00 C ATOM 1391 CE2 PHE A 88 6.302 -2.677 -1.365 1.00 0.00 C ATOM 1392 CZ PHE A 88 6.186 -3.829 -0.612 1.00 0.00 C ATOM 0 H PHE A 88 9.144 -1.997 2.327 1.00 0.00 H new ATOM 0 HA PHE A 88 11.057 -0.403 0.799 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.787 -0.810 -1.307 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.655 -2.224 -0.744 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.239 -3.848 0.813 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.560 -1.048 -1.923 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.157 -5.152 0.757 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.477 -2.346 -1.978 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.269 -4.400 -0.634 1.00 0.00 H new ATOM 1402 N LYS A 89 9.439 1.467 0.919 1.00 0.00 N ATOM 1403 CA LYS A 89 8.538 2.597 1.114 1.00 0.00 C ATOM 1404 C LYS A 89 8.329 3.357 -0.192 1.00 0.00 C ATOM 1405 O LYS A 89 9.234 3.446 -1.021 1.00 0.00 O ATOM 1406 CB LYS A 89 9.095 3.541 2.182 1.00 0.00 C ATOM 1407 CG LYS A 89 10.219 4.431 1.681 1.00 0.00 C ATOM 1408 CD LYS A 89 11.578 3.782 1.887 1.00 0.00 C ATOM 1409 CE LYS A 89 12.585 4.255 0.850 1.00 0.00 C ATOM 1410 NZ LYS A 89 13.120 5.607 1.174 1.00 0.00 N ATOM 0 H LYS A 89 10.395 1.727 0.675 1.00 0.00 H new ATOM 0 HA LYS A 89 7.575 2.209 1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.287 4.168 2.558 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.458 2.950 3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.072 4.642 0.622 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.188 5.387 2.204 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.946 4.016 2.886 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.477 2.698 1.830 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.408 3.543 0.792 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.112 4.277 -0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.803 5.894 0.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.338 6.292 1.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.593 5.580 2.100 1.00 0.00 H new ATOM 1424 N ALA A 90 7.130 3.903 -0.368 1.00 0.00 N ATOM 1425 CA ALA A 90 6.803 4.658 -1.571 1.00 0.00 C ATOM 1426 C ALA A 90 6.758 6.155 -1.284 1.00 0.00 C ATOM 1427 O ALA A 90 6.485 6.572 -0.159 1.00 0.00 O ATOM 1428 CB ALA A 90 5.475 4.188 -2.144 1.00 0.00 C ATOM 0 H ALA A 90 6.369 3.836 0.308 1.00 0.00 H new ATOM 0 HA ALA A 90 7.587 4.479 -2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.243 4.760 -3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.541 3.129 -2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.687 4.337 -1.406 1.00 0.00 H new ATOM 1434 N GLU A 91 7.027 6.958 -2.309 1.00 0.00 N ATOM 1435 CA GLU A 91 7.017 8.409 -2.165 1.00 0.00 C ATOM 1436 C GLU A 91 6.560 9.081 -3.456 1.00 0.00 C ATOM 1437 O GLU A 91 6.873 8.620 -4.554 1.00 0.00 O ATOM 1438 CB GLU A 91 8.409 8.914 -1.779 1.00 0.00 C ATOM 1439 CG GLU A 91 8.762 10.257 -2.397 1.00 0.00 C ATOM 1440 CD GLU A 91 9.736 11.051 -1.548 1.00 0.00 C ATOM 1441 OE1 GLU A 91 10.727 10.461 -1.072 1.00 0.00 O ATOM 1442 OE2 GLU A 91 9.506 12.265 -1.361 1.00 0.00 O ATOM 0 H GLU A 91 7.254 6.628 -3.247 1.00 0.00 H new ATOM 0 HA GLU A 91 6.312 8.665 -1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.469 8.996 -0.694 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.151 8.177 -2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.194 10.096 -3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.851 10.839 -2.538 1.00 0.00 H new ATOM 1449 N HIS A 92 5.816 10.174 -3.316 1.00 0.00 N ATOM 1450 CA HIS A 92 5.314 10.910 -4.471 1.00 0.00 C ATOM 1451 C HIS A 92 6.021 12.255 -4.606 1.00 0.00 C ATOM 1452 O HIS A 92 6.038 12.853 -5.682 1.00 0.00 O ATOM 1453 CB HIS A 92 3.805 11.124 -4.349 1.00 0.00 C ATOM 1454 CG HIS A 92 3.297 12.279 -5.156 1.00 0.00 C ATOM 1455 ND1 HIS A 92 2.747 13.409 -4.589 1.00 0.00 N ATOM 1456 CD2 HIS A 92 3.259 12.476 -6.495 1.00 0.00 C ATOM 1457 CE1 HIS A 92 2.392 14.250 -5.544 1.00 0.00 C ATOM 1458 NE2 HIS A 92 2.692 13.708 -6.710 1.00 0.00 N ATOM 0 H HIS A 92 5.548 10.569 -2.415 1.00 0.00 H new ATOM 0 HA HIS A 92 5.519 10.320 -5.364 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.291 10.216 -4.665 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.553 11.285 -3.301 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.610 11.791 -7.253 1.00 0.00 H new ATOM 0 HE1 HIS A 92 1.934 15.217 -5.396 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.529 14.135 -7.622 1.00 0.00 H new ATOM 1467 N ALA A 93 6.602 12.726 -3.507 1.00 0.00 N ATOM 1468 CA ALA A 93 7.312 13.999 -3.504 1.00 0.00 C ATOM 1469 C ALA A 93 6.337 15.171 -3.558 1.00 0.00 C ATOM 1470 O ALA A 93 6.561 16.145 -4.275 1.00 0.00 O ATOM 1471 CB ALA A 93 8.284 14.065 -4.673 1.00 0.00 C ATOM 0 H ALA A 93 6.595 12.245 -2.608 1.00 0.00 H new ATOM 0 HA ALA A 93 7.875 14.070 -2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.807 15.021 -4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.008 13.254 -4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.734 13.967 -5.609 1.00 0.00 H new ATOM 1477 N GLY A 94 5.252 15.068 -2.795 1.00 0.00 N ATOM 1478 CA GLY A 94 4.259 16.126 -2.772 1.00 0.00 C ATOM 1479 C GLY A 94 3.139 15.848 -1.789 1.00 0.00 C ATOM 1480 O GLY A 94 2.526 16.773 -1.257 1.00 0.00 O ATOM 0 H GLY A 94 5.044 14.271 -2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 94 4.742 17.068 -2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 94 3.840 16.249 -3.771 1.00 0.00 H new ATOM 1484 N VAL A 95 2.869 14.569 -1.549 1.00 0.00 N ATOM 1485 CA VAL A 95 1.814 14.171 -0.624 1.00 0.00 C ATOM 1486 C VAL A 95 2.397 13.558 0.644 1.00 0.00 C ATOM 1487 O VAL A 95 2.265 14.117 1.733 1.00 0.00 O ATOM 1488 CB VAL A 95 0.850 13.160 -1.273 1.00 0.00 C ATOM 1489 CG1 VAL A 95 -0.290 12.823 -0.324 1.00 0.00 C ATOM 1490 CG2 VAL A 95 0.317 13.703 -2.590 1.00 0.00 C ATOM 0 H VAL A 95 3.366 13.791 -1.982 1.00 0.00 H new ATOM 0 HA VAL A 95 1.262 15.075 -0.367 1.00 0.00 H new ATOM 0 HB VAL A 95 1.400 12.242 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.960 12.108 -0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.114 12.389 0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.842 13.731 -0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.362 12.976 -3.035 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.217 14.636 -2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.148 13.887 -3.271 1.00 0.00 H new ATOM 1500 N ARG A 96 3.044 12.406 0.495 1.00 0.00 N ATOM 1501 CA ARG A 96 3.647 11.716 1.629 1.00 0.00 C ATOM 1502 C ARG A 96 4.435 10.495 1.165 1.00 0.00 C ATOM 1503 O ARG A 96 4.527 10.218 -0.031 1.00 0.00 O ATOM 1504 CB ARG A 96 2.569 11.293 2.628 1.00 0.00 C ATOM 1505 CG ARG A 96 1.744 10.103 2.165 1.00 0.00 C ATOM 1506 CD ARG A 96 0.356 10.112 2.788 1.00 0.00 C ATOM 1507 NE ARG A 96 0.383 9.704 4.190 1.00 0.00 N ATOM 1508 CZ ARG A 96 -0.659 9.813 5.007 1.00 0.00 C ATOM 1509 NH1 ARG A 96 -1.803 10.314 4.564 1.00 0.00 N ATOM 1510 NH2 ARG A 96 -0.557 9.420 6.270 1.00 0.00 N ATOM 0 H ARG A 96 3.164 11.931 -0.400 1.00 0.00 H new ATOM 0 HA ARG A 96 4.335 12.406 2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.042 11.048 3.579 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.904 12.137 2.811 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.657 10.120 1.079 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.257 9.178 2.429 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -0.070 11.112 2.710 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.297 9.443 2.228 1.00 0.00 H new ATOM 0 HE ARG A 96 1.249 9.314 4.562 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.885 10.617 3.594 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.601 10.396 5.193 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.322 9.034 6.615 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -1.358 9.504 6.897 1.00 0.00 H new ATOM 1524 N THR A 97 5.003 9.766 2.121 1.00 0.00 N ATOM 1525 CA THR A 97 5.784 8.575 1.812 1.00 0.00 C ATOM 1526 C THR A 97 5.299 7.375 2.616 1.00 0.00 C ATOM 1527 O THR A 97 5.556 7.274 3.816 1.00 0.00 O ATOM 1528 CB THR A 97 7.282 8.797 2.095 1.00 0.00 C ATOM 1529 OG1 THR A 97 7.756 9.934 1.365 1.00 0.00 O ATOM 1530 CG2 THR A 97 8.093 7.568 1.712 1.00 0.00 C ATOM 0 H THR A 97 4.936 9.980 3.116 1.00 0.00 H new ATOM 0 HA THR A 97 5.648 8.375 0.749 1.00 0.00 H new ATOM 0 HB THR A 97 7.404 8.975 3.163 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.708 10.069 1.552 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.148 7.748 1.921 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.750 6.711 2.291 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.963 7.363 0.649 1.00 0.00 H new ATOM 1538 N TYR A 98 4.597 6.466 1.948 1.00 0.00 N ATOM 1539 CA TYR A 98 4.075 5.272 2.602 1.00 0.00 C ATOM 1540 C TYR A 98 5.169 4.223 2.777 1.00 0.00 C ATOM 1541 O TYR A 98 6.162 4.218 2.050 1.00 0.00 O ATOM 1542 CB TYR A 98 2.917 4.687 1.791 1.00 0.00 C ATOM 1543 CG TYR A 98 1.627 5.464 1.929 1.00 0.00 C ATOM 1544 CD1 TYR A 98 0.824 5.322 3.054 1.00 0.00 C ATOM 1545 CD2 TYR A 98 1.213 6.342 0.935 1.00 0.00 C ATOM 1546 CE1 TYR A 98 -0.355 6.030 3.183 1.00 0.00 C ATOM 1547 CE2 TYR A 98 0.036 7.056 1.057 1.00 0.00 C ATOM 1548 CZ TYR A 98 -0.745 6.896 2.182 1.00 0.00 C ATOM 1549 OH TYR A 98 -1.918 7.604 2.309 1.00 0.00 O ATOM 0 H TYR A 98 4.376 6.533 0.954 1.00 0.00 H new ATOM 0 HA TYR A 98 3.712 5.559 3.589 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.201 4.655 0.739 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.747 3.658 2.107 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.127 4.647 3.841 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.821 6.469 0.052 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.969 5.906 4.063 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.270 7.736 0.275 1.00 0.00 H new ATOM 0 HH TYR A 98 -2.046 8.169 1.519 1.00 0.00 H new ATOM 1559 N PHE A 99 4.978 3.335 3.747 1.00 0.00 N ATOM 1560 CA PHE A 99 5.947 2.280 4.019 1.00 0.00 C ATOM 1561 C PHE A 99 5.281 0.907 3.986 1.00 0.00 C ATOM 1562 O PHE A 99 4.091 0.775 4.273 1.00 0.00 O ATOM 1563 CB PHE A 99 6.609 2.506 5.380 1.00 0.00 C ATOM 1564 CG PHE A 99 7.801 3.418 5.322 1.00 0.00 C ATOM 1565 CD1 PHE A 99 7.636 4.793 5.269 1.00 0.00 C ATOM 1566 CD2 PHE A 99 9.087 2.901 5.322 1.00 0.00 C ATOM 1567 CE1 PHE A 99 8.731 5.635 5.216 1.00 0.00 C ATOM 1568 CE2 PHE A 99 10.185 3.738 5.269 1.00 0.00 C ATOM 1569 CZ PHE A 99 10.007 5.107 5.216 1.00 0.00 C ATOM 0 H PHE A 99 4.161 3.325 4.358 1.00 0.00 H new ATOM 0 HA PHE A 99 6.710 2.312 3.241 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.874 2.925 6.068 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.917 1.544 5.790 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.640 5.212 5.269 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.232 1.832 5.364 1.00 0.00 H new ATOM 0 HE1 PHE A 99 8.589 6.705 5.175 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.182 3.322 5.269 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.864 5.763 5.175 1.00 0.00 H new ATOM 1579 N PHE A 100 6.058 -0.112 3.635 1.00 0.00 N ATOM 1580 CA PHE A 100 5.544 -1.475 3.563 1.00 0.00 C ATOM 1581 C PHE A 100 6.671 -2.490 3.730 1.00 0.00 C ATOM 1582 O PHE A 100 7.583 -2.563 2.906 1.00 0.00 O ATOM 1583 CB PHE A 100 4.830 -1.704 2.229 1.00 0.00 C ATOM 1584 CG PHE A 100 3.923 -0.574 1.833 1.00 0.00 C ATOM 1585 CD1 PHE A 100 2.684 -0.419 2.434 1.00 0.00 C ATOM 1586 CD2 PHE A 100 4.310 0.334 0.860 1.00 0.00 C ATOM 1587 CE1 PHE A 100 1.847 0.620 2.072 1.00 0.00 C ATOM 1588 CE2 PHE A 100 3.478 1.375 0.495 1.00 0.00 C ATOM 1589 CZ PHE A 100 2.244 1.517 1.100 1.00 0.00 C ATOM 0 H PHE A 100 7.045 -0.020 3.396 1.00 0.00 H new ATOM 0 HA PHE A 100 4.831 -1.612 4.376 1.00 0.00 H new ATOM 0 HB2 PHE A 100 5.576 -1.852 1.448 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.247 -2.623 2.291 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.369 -1.118 3.194 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.272 0.227 0.382 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.884 0.730 2.549 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.792 2.077 -0.263 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.591 2.328 0.813 1.00 0.00 H new ATOM 1599 N SER A 101 6.601 -3.271 4.803 1.00 0.00 N ATOM 1600 CA SER A 101 7.617 -4.280 5.082 1.00 0.00 C ATOM 1601 C SER A 101 7.184 -5.646 4.560 1.00 0.00 C ATOM 1602 O SER A 101 6.002 -5.880 4.307 1.00 0.00 O ATOM 1603 CB SER A 101 7.889 -4.358 6.585 1.00 0.00 C ATOM 1604 OG SER A 101 8.738 -5.450 6.894 1.00 0.00 O ATOM 0 H SER A 101 5.852 -3.225 5.494 1.00 0.00 H new ATOM 0 HA SER A 101 8.534 -3.989 4.569 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.348 -3.429 6.923 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.947 -4.462 7.123 1.00 0.00 H new ATOM 0 HG SER A 101 9.661 -5.224 6.656 1.00 0.00 H new ATOM 1610 N ALA A 102 8.149 -6.546 4.402 1.00 0.00 N ATOM 1611 CA ALA A 102 7.868 -7.890 3.913 1.00 0.00 C ATOM 1612 C ALA A 102 8.602 -8.940 4.740 1.00 0.00 C ATOM 1613 O ALA A 102 9.815 -8.858 4.928 1.00 0.00 O ATOM 1614 CB ALA A 102 8.253 -8.008 2.446 1.00 0.00 C ATOM 0 H ALA A 102 9.133 -6.368 4.606 1.00 0.00 H new ATOM 0 HA ALA A 102 6.798 -8.070 4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.038 -9.017 2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.680 -7.289 1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.317 -7.803 2.332 1.00 0.00 H new ATOM 1620 N GLU A 103 7.857 -9.925 5.234 1.00 0.00 N ATOM 1621 CA GLU A 103 8.439 -10.990 6.042 1.00 0.00 C ATOM 1622 C GLU A 103 9.707 -11.536 5.393 1.00 0.00 C ATOM 1623 O GLU A 103 10.750 -11.642 6.036 1.00 0.00 O ATOM 1624 CB GLU A 103 7.426 -12.120 6.241 1.00 0.00 C ATOM 1625 CG GLU A 103 6.145 -11.675 6.926 1.00 0.00 C ATOM 1626 CD GLU A 103 6.282 -11.607 8.434 1.00 0.00 C ATOM 1627 OE1 GLU A 103 6.711 -10.551 8.945 1.00 0.00 O ATOM 1628 OE2 GLU A 103 5.961 -12.611 9.105 1.00 0.00 O ATOM 0 H GLU A 103 6.851 -10.007 5.089 1.00 0.00 H new ATOM 0 HA GLU A 103 8.702 -10.572 7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.179 -12.550 5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.888 -12.911 6.832 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.857 -10.695 6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.342 -12.365 6.669 1.00 0.00 H new ATOM 1635 N SER A 104 9.607 -11.882 4.113 1.00 0.00 N ATOM 1636 CA SER A 104 10.743 -12.422 3.376 1.00 0.00 C ATOM 1637 C SER A 104 11.141 -11.493 2.233 1.00 0.00 C ATOM 1638 O SER A 104 10.338 -10.705 1.732 1.00 0.00 O ATOM 1639 CB SER A 104 10.409 -13.810 2.827 1.00 0.00 C ATOM 1640 OG SER A 104 9.856 -13.724 1.525 1.00 0.00 O ATOM 0 H SER A 104 8.751 -11.798 3.565 1.00 0.00 H new ATOM 0 HA SER A 104 11.584 -12.504 4.064 1.00 0.00 H new ATOM 0 HB2 SER A 104 11.311 -14.422 2.803 1.00 0.00 H new ATOM 0 HB3 SER A 104 9.704 -14.308 3.493 1.00 0.00 H new ATOM 0 HG SER A 104 9.653 -14.624 1.196 1.00 0.00 H new ATOM 1646 N PRO A 105 12.410 -11.586 1.811 1.00 0.00 N ATOM 1647 CA PRO A 105 12.945 -10.762 0.722 1.00 0.00 C ATOM 1648 C PRO A 105 12.362 -11.145 -0.634 1.00 0.00 C ATOM 1649 O PRO A 105 12.381 -10.350 -1.573 1.00 0.00 O ATOM 1650 CB PRO A 105 14.447 -11.054 0.761 1.00 0.00 C ATOM 1651 CG PRO A 105 14.554 -12.406 1.378 1.00 0.00 C ATOM 1652 CD PRO A 105 13.422 -12.503 2.363 1.00 0.00 C ATOM 0 HA PRO A 105 12.699 -9.708 0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 105 14.879 -11.040 -0.240 1.00 0.00 H new ATOM 0 HB3 PRO A 105 14.980 -10.307 1.349 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.481 -13.187 0.621 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.516 -12.533 1.875 1.00 0.00 H new ATOM 0 HD2 PRO A 105 13.042 -13.522 2.439 1.00 0.00 H new ATOM 0 HD3 PRO A 105 13.733 -12.203 3.364 1.00 0.00 H new ATOM 1660 N GLU A 106 11.845 -12.366 -0.728 1.00 0.00 N ATOM 1661 CA GLU A 106 11.257 -12.852 -1.970 1.00 0.00 C ATOM 1662 C GLU A 106 9.977 -12.091 -2.301 1.00 0.00 C ATOM 1663 O GLU A 106 9.642 -11.899 -3.470 1.00 0.00 O ATOM 1664 CB GLU A 106 10.961 -14.350 -1.868 1.00 0.00 C ATOM 1665 CG GLU A 106 12.208 -15.219 -1.874 1.00 0.00 C ATOM 1666 CD GLU A 106 11.889 -16.695 -2.008 1.00 0.00 C ATOM 1667 OE1 GLU A 106 10.980 -17.038 -2.793 1.00 0.00 O ATOM 1668 OE2 GLU A 106 12.550 -17.508 -1.328 1.00 0.00 O ATOM 0 H GLU A 106 11.822 -13.036 0.041 1.00 0.00 H new ATOM 0 HA GLU A 106 11.976 -12.685 -2.772 1.00 0.00 H new ATOM 0 HB2 GLU A 106 10.401 -14.540 -0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 106 10.320 -14.643 -2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.855 -14.915 -2.697 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.766 -15.054 -0.952 1.00 0.00 H new ATOM 1675 N GLU A 107 9.266 -11.661 -1.264 1.00 0.00 N ATOM 1676 CA GLU A 107 8.022 -10.922 -1.445 1.00 0.00 C ATOM 1677 C GLU A 107 8.300 -9.450 -1.732 1.00 0.00 C ATOM 1678 O GLU A 107 7.675 -8.849 -2.605 1.00 0.00 O ATOM 1679 CB GLU A 107 7.140 -11.053 -0.201 1.00 0.00 C ATOM 1680 CG GLU A 107 6.791 -12.489 0.150 1.00 0.00 C ATOM 1681 CD GLU A 107 6.198 -12.622 1.539 1.00 0.00 C ATOM 1682 OE1 GLU A 107 5.622 -11.632 2.037 1.00 0.00 O ATOM 1683 OE2 GLU A 107 6.308 -13.718 2.128 1.00 0.00 O ATOM 0 H GLU A 107 9.530 -11.811 -0.290 1.00 0.00 H new ATOM 0 HA GLU A 107 7.498 -11.348 -2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.651 -10.595 0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.219 -10.492 -0.359 1.00 0.00 H new ATOM 0 HG2 GLU A 107 6.082 -12.876 -0.582 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.688 -13.104 0.082 1.00 0.00 H new ATOM 1690 N GLN A 108 9.242 -8.876 -0.990 1.00 0.00 N ATOM 1691 CA GLN A 108 9.603 -7.474 -1.165 1.00 0.00 C ATOM 1692 C GLN A 108 9.996 -7.189 -2.610 1.00 0.00 C ATOM 1693 O GLN A 108 9.485 -6.256 -3.229 1.00 0.00 O ATOM 1694 CB GLN A 108 10.753 -7.101 -0.228 1.00 0.00 C ATOM 1695 CG GLN A 108 11.314 -5.710 -0.477 1.00 0.00 C ATOM 1696 CD GLN A 108 12.779 -5.597 -0.105 1.00 0.00 C ATOM 1697 OE1 GLN A 108 13.532 -6.567 -0.196 1.00 0.00 O ATOM 1698 NE2 GLN A 108 13.193 -4.408 0.318 1.00 0.00 N ATOM 0 H GLN A 108 9.769 -9.360 -0.263 1.00 0.00 H new ATOM 0 HA GLN A 108 8.732 -6.867 -0.919 1.00 0.00 H new ATOM 0 HB2 GLN A 108 10.406 -7.164 0.803 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.554 -7.832 -0.340 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.190 -5.455 -1.529 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.740 -4.983 0.097 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.535 -3.631 0.378 1.00 0.00 H new ATOM 0 HE22 GLN A 108 14.169 -4.272 0.583 1.00 0.00 H new ATOM 1707 N GLU A 109 10.907 -7.998 -3.142 1.00 0.00 N ATOM 1708 CA GLU A 109 11.369 -7.830 -4.514 1.00 0.00 C ATOM 1709 C GLU A 109 10.222 -8.025 -5.502 1.00 0.00 C ATOM 1710 O GLU A 109 9.998 -7.193 -6.381 1.00 0.00 O ATOM 1711 CB GLU A 109 12.495 -8.821 -4.822 1.00 0.00 C ATOM 1712 CG GLU A 109 12.000 -10.170 -5.315 1.00 0.00 C ATOM 1713 CD GLU A 109 13.134 -11.110 -5.678 1.00 0.00 C ATOM 1714 OE1 GLU A 109 14.091 -11.220 -4.884 1.00 0.00 O ATOM 1715 OE2 GLU A 109 13.063 -11.735 -6.757 1.00 0.00 O ATOM 0 H GLU A 109 11.339 -8.776 -2.643 1.00 0.00 H new ATOM 0 HA GLU A 109 11.749 -6.814 -4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 109 13.153 -8.388 -5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.093 -8.969 -3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.384 -10.631 -4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.362 -10.023 -6.186 1.00 0.00 H new ATOM 1722 N ALA A 110 9.499 -9.130 -5.350 1.00 0.00 N ATOM 1723 CA ALA A 110 8.375 -9.433 -6.226 1.00 0.00 C ATOM 1724 C ALA A 110 7.372 -8.285 -6.251 1.00 0.00 C ATOM 1725 O ALA A 110 6.954 -7.836 -7.318 1.00 0.00 O ATOM 1726 CB ALA A 110 7.695 -10.721 -5.786 1.00 0.00 C ATOM 0 H ALA A 110 9.672 -9.830 -4.628 1.00 0.00 H new ATOM 0 HA ALA A 110 8.760 -9.565 -7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.857 -10.935 -6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.410 -11.543 -5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.330 -10.609 -4.765 1.00 0.00 H new ATOM 1732 N TRP A 111 6.989 -7.815 -5.069 1.00 0.00 N ATOM 1733 CA TRP A 111 6.034 -6.719 -4.955 1.00 0.00 C ATOM 1734 C TRP A 111 6.517 -5.494 -5.725 1.00 0.00 C ATOM 1735 O TRP A 111 5.780 -4.928 -6.533 1.00 0.00 O ATOM 1736 CB TRP A 111 5.813 -6.358 -3.485 1.00 0.00 C ATOM 1737 CG TRP A 111 4.683 -7.112 -2.853 1.00 0.00 C ATOM 1738 CD1 TRP A 111 4.782 -8.126 -1.943 1.00 0.00 C ATOM 1739 CD2 TRP A 111 3.284 -6.913 -3.084 1.00 0.00 C ATOM 1740 NE1 TRP A 111 3.528 -8.570 -1.595 1.00 0.00 N ATOM 1741 CE2 TRP A 111 2.592 -7.841 -2.280 1.00 0.00 C ATOM 1742 CE3 TRP A 111 2.548 -6.040 -3.889 1.00 0.00 C ATOM 1743 CZ2 TRP A 111 1.203 -7.919 -2.262 1.00 0.00 C ATOM 1744 CZ3 TRP A 111 1.168 -6.119 -3.870 1.00 0.00 C ATOM 1745 CH2 TRP A 111 0.507 -7.052 -3.060 1.00 0.00 C ATOM 0 H TRP A 111 7.325 -8.176 -4.176 1.00 0.00 H new ATOM 0 HA TRP A 111 5.089 -7.048 -5.387 1.00 0.00 H new ATOM 0 HB2 TRP A 111 6.729 -6.555 -2.928 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.616 -5.289 -3.406 1.00 0.00 H new ATOM 0 HD1 TRP A 111 5.709 -8.521 -1.554 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.327 -9.320 -0.934 1.00 0.00 H new ATOM 0 HE3 TRP A 111 3.048 -5.316 -4.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 0.692 -8.639 -1.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 0.589 -5.450 -4.490 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.572 -7.088 -3.066 1.00 0.00 H new ATOM 1756 N ILE A 112 7.756 -5.091 -5.469 1.00 0.00 N ATOM 1757 CA ILE A 112 8.337 -3.934 -6.139 1.00 0.00 C ATOM 1758 C ILE A 112 8.194 -4.047 -7.653 1.00 0.00 C ATOM 1759 O ILE A 112 7.919 -3.061 -8.336 1.00 0.00 O ATOM 1760 CB ILE A 112 9.826 -3.766 -5.786 1.00 0.00 C ATOM 1761 CG1 ILE A 112 9.983 -3.366 -4.318 1.00 0.00 C ATOM 1762 CG2 ILE A 112 10.473 -2.732 -6.695 1.00 0.00 C ATOM 1763 CD1 ILE A 112 11.417 -3.376 -3.838 1.00 0.00 C ATOM 0 H ILE A 112 8.378 -5.548 -4.802 1.00 0.00 H new ATOM 0 HA ILE A 112 7.789 -3.059 -5.789 1.00 0.00 H new ATOM 0 HB ILE A 112 10.330 -4.720 -5.938 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.568 -2.368 -4.176 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.397 -4.046 -3.700 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.526 -2.625 -6.433 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.389 -3.056 -7.732 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.969 -1.773 -6.572 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.452 -3.082 -2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.830 -4.379 -3.948 1.00 0.00 H new ATOM 0 HD13 ILE A 112 12.004 -2.674 -4.431 1.00 0.00 H new ATOM 1775 N GLN A 113 8.382 -5.257 -8.171 1.00 0.00 N ATOM 1776 CA GLN A 113 8.274 -5.499 -9.604 1.00 0.00 C ATOM 1777 C GLN A 113 6.936 -5.001 -10.141 1.00 0.00 C ATOM 1778 O GLN A 113 6.879 -4.345 -11.180 1.00 0.00 O ATOM 1779 CB GLN A 113 8.433 -6.991 -9.904 1.00 0.00 C ATOM 1780 CG GLN A 113 9.782 -7.555 -9.487 1.00 0.00 C ATOM 1781 CD GLN A 113 10.219 -8.722 -10.349 1.00 0.00 C ATOM 1782 OE1 GLN A 113 9.529 -9.739 -10.433 1.00 0.00 O ATOM 1783 NE2 GLN A 113 11.369 -8.582 -10.997 1.00 0.00 N ATOM 0 H GLN A 113 8.610 -6.084 -7.619 1.00 0.00 H new ATOM 0 HA GLN A 113 9.072 -4.948 -10.101 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.644 -7.542 -9.392 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.295 -7.155 -10.973 1.00 0.00 H new ATOM 0 HG2 GLN A 113 10.533 -6.767 -9.541 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.731 -7.876 -8.447 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.908 -7.722 -10.898 1.00 0.00 H new ATOM 0 HE22 GLN A 113 11.713 -9.334 -11.593 1.00 0.00 H new ATOM 1792 N ALA A 114 5.862 -5.318 -9.425 1.00 0.00 N ATOM 1793 CA ALA A 114 4.525 -4.900 -9.828 1.00 0.00 C ATOM 1794 C ALA A 114 4.244 -3.465 -9.398 1.00 0.00 C ATOM 1795 O ALA A 114 3.908 -2.614 -10.221 1.00 0.00 O ATOM 1796 CB ALA A 114 3.480 -5.842 -9.247 1.00 0.00 C ATOM 0 H ALA A 114 5.892 -5.863 -8.563 1.00 0.00 H new ATOM 0 HA ALA A 114 4.471 -4.942 -10.916 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.486 -5.518 -9.556 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.661 -6.854 -9.609 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.544 -5.830 -8.159 1.00 0.00 H new ATOM 1802 N MET A 115 4.383 -3.203 -8.102 1.00 0.00 N ATOM 1803 CA MET A 115 4.145 -1.869 -7.563 1.00 0.00 C ATOM 1804 C MET A 115 5.060 -0.843 -8.224 1.00 0.00 C ATOM 1805 O MET A 115 4.594 0.131 -8.813 1.00 0.00 O ATOM 1806 CB MET A 115 4.362 -1.862 -6.048 1.00 0.00 C ATOM 1807 CG MET A 115 3.119 -2.230 -5.255 1.00 0.00 C ATOM 1808 SD MET A 115 3.118 -1.520 -3.597 1.00 0.00 S ATOM 1809 CE MET A 115 2.819 -2.981 -2.604 1.00 0.00 C ATOM 0 H MET A 115 4.659 -3.896 -7.407 1.00 0.00 H new ATOM 0 HA MET A 115 3.111 -1.598 -7.777 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.161 -2.561 -5.800 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.698 -0.871 -5.742 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.235 -1.888 -5.793 1.00 0.00 H new ATOM 0 HG3 MET A 115 3.048 -3.315 -5.182 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.737 -2.697 -1.555 1.00 0.00 H new ATOM 0 HE2 MET A 115 1.892 -3.455 -2.925 1.00 0.00 H new ATOM 0 HE3 MET A 115 3.646 -3.680 -2.728 1.00 0.00 H new ATOM 1819 N GLY A 116 6.367 -1.070 -8.123 1.00 0.00 N ATOM 1820 CA GLY A 116 7.326 -0.157 -8.716 1.00 0.00 C ATOM 1821 C GLY A 116 6.972 0.211 -10.143 1.00 0.00 C ATOM 1822 O GLY A 116 6.915 1.389 -10.491 1.00 0.00 O ATOM 0 H GLY A 116 6.778 -1.870 -7.641 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.380 0.750 -8.113 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.316 -0.612 -8.697 1.00 0.00 H new ATOM 1826 N GLU A 117 6.733 -0.802 -10.971 1.00 0.00 N ATOM 1827 CA GLU A 117 6.385 -0.578 -12.370 1.00 0.00 C ATOM 1828 C GLU A 117 5.055 0.160 -12.488 1.00 0.00 C ATOM 1829 O GLU A 117 4.997 1.279 -12.995 1.00 0.00 O ATOM 1830 CB GLU A 117 6.311 -1.910 -13.119 1.00 0.00 C ATOM 1831 CG GLU A 117 7.671 -2.487 -13.471 1.00 0.00 C ATOM 1832 CD GLU A 117 8.615 -1.448 -14.045 1.00 0.00 C ATOM 1833 OE1 GLU A 117 8.369 -0.985 -15.178 1.00 0.00 O ATOM 1834 OE2 GLU A 117 9.599 -1.098 -13.360 1.00 0.00 O ATOM 0 H GLU A 117 6.774 -1.784 -10.698 1.00 0.00 H new ATOM 0 HA GLU A 117 7.164 0.039 -12.818 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.767 -2.631 -12.508 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.737 -1.771 -14.035 1.00 0.00 H new ATOM 0 HG2 GLU A 117 8.118 -2.925 -12.578 1.00 0.00 H new ATOM 0 HG3 GLU A 117 7.543 -3.294 -14.192 1.00 0.00 H new ATOM 1841 N ALA A 118 3.988 -0.477 -12.016 1.00 0.00 N ATOM 1842 CA ALA A 118 2.658 0.118 -12.067 1.00 0.00 C ATOM 1843 C ALA A 118 2.702 1.593 -11.680 1.00 0.00 C ATOM 1844 O ALA A 118 1.885 2.389 -12.141 1.00 0.00 O ATOM 1845 CB ALA A 118 1.705 -0.640 -11.155 1.00 0.00 C ATOM 0 H ALA A 118 4.019 -1.405 -11.594 1.00 0.00 H new ATOM 0 HA ALA A 118 2.295 0.048 -13.092 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.716 -0.185 -11.203 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.642 -1.679 -11.478 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.073 -0.600 -10.130 1.00 0.00 H new ATOM 1851 N ALA A 119 3.660 1.949 -10.832 1.00 0.00 N ATOM 1852 CA ALA A 119 3.811 3.329 -10.385 1.00 0.00 C ATOM 1853 C ALA A 119 4.219 4.238 -11.539 1.00 0.00 C ATOM 1854 O ALA A 119 3.695 5.342 -11.686 1.00 0.00 O ATOM 1855 CB ALA A 119 4.832 3.410 -9.259 1.00 0.00 C ATOM 0 H ALA A 119 4.344 1.301 -10.440 1.00 0.00 H new ATOM 0 HA ALA A 119 2.846 3.672 -10.011 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.935 4.446 -8.935 1.00 0.00 H new ATOM 0 HB2 ALA A 119 4.498 2.799 -8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.795 3.044 -9.614 1.00 0.00 H new ATOM 1861 N ARG A 120 5.157 3.767 -12.354 1.00 0.00 N ATOM 1862 CA ARG A 120 5.636 4.540 -13.494 1.00 0.00 C ATOM 1863 C ARG A 120 4.497 5.329 -14.133 1.00 0.00 C ATOM 1864 O ARG A 120 3.337 4.920 -14.080 1.00 0.00 O ATOM 1865 CB ARG A 120 6.274 3.615 -14.532 1.00 0.00 C ATOM 1866 CG ARG A 120 5.265 2.915 -15.427 1.00 0.00 C ATOM 1867 CD ARG A 120 5.932 1.870 -16.307 1.00 0.00 C ATOM 1868 NE ARG A 120 5.100 1.507 -17.452 1.00 0.00 N ATOM 1869 CZ ARG A 120 5.584 1.006 -18.583 1.00 0.00 C ATOM 1870 NH1 ARG A 120 6.888 0.810 -18.720 1.00 0.00 N ATOM 1871 NH2 ARG A 120 4.763 0.701 -19.579 1.00 0.00 N ATOM 0 H ARG A 120 5.600 2.855 -12.246 1.00 0.00 H new ATOM 0 HA ARG A 120 6.386 5.244 -13.134 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.956 4.196 -15.153 1.00 0.00 H new ATOM 0 HB3 ARG A 120 6.873 2.864 -14.017 1.00 0.00 H new ATOM 0 HG2 ARG A 120 4.500 2.440 -14.813 1.00 0.00 H new ATOM 0 HG3 ARG A 120 4.760 3.651 -16.053 1.00 0.00 H new ATOM 0 HD2 ARG A 120 6.889 2.252 -16.661 1.00 0.00 H new ATOM 0 HD3 ARG A 120 6.143 0.979 -15.715 1.00 0.00 H new ATOM 0 HE ARG A 120 4.092 1.646 -17.379 1.00 0.00 H new ATOM 0 HH11 ARG A 120 7.522 1.044 -17.956 1.00 0.00 H new ATOM 0 HH12 ARG A 120 7.257 0.425 -19.589 1.00 0.00 H new ATOM 0 HH21 ARG A 120 3.759 0.851 -19.477 1.00 0.00 H new ATOM 0 HH22 ARG A 120 5.135 0.316 -20.447 1.00 0.00 H new