USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=21 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 38 GLN :FLIP amide:sc= 0.988 F(o=0.47,f=1.9) USER MOD Set 1.2: A 40 ASN :FLIP amide:sc= 0.872 F(o=0.47,f=1.9) 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= -1.67 K(o=-1.7,f=-2.3) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.216) USER MOD Single : A 30 LYS NZ :NH3+ -167:sc=-0.00075 (180deg=-0.0762) USER MOD Single : A 31 GLN : amide:sc=-0.000943 X(o=-0.00094,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -142:sc= 0.87 (180deg=0.231) USER MOD Single : A 50 CYS SG : rot 72:sc= 0.23 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.542 USER MOD Single : A 54 TYR OH : rot 180:sc= -1.17 USER MOD Single : A 55 LYS NZ :NH3+ 154:sc= 0.123 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -110:sc= -0.148 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -2.92! C(o=-2.9!,f=-3.5!) USER MOD Single : A 79 SER OG : rot -52:sc= 0.724 USER MOD Single : A 81 ASN : amide:sc= 0.237 X(o=0.24,f=-0.06) 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= -1.83! C(o=-1.8!,f=-3.1!) USER MOD Single : A 87 THR OG1 : rot -160:sc= -0.0485 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -7.67! C(o=-7.7!,f=-8.3!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 30:sc= 0 USER MOD Single : A 101 SER OG : rot -120:sc= -1.13 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.67) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 MET CE :methyl -169:sc= -0.224 (180deg=-0.593) USER MOD ----------------------------------------------------------------- ATOM 176 N LYS A 15 -11.920 4.233 -5.897 1.00 0.00 N ATOM 177 CA LYS A 15 -12.498 2.939 -5.554 1.00 0.00 C ATOM 178 C LYS A 15 -12.013 1.855 -6.510 1.00 0.00 C ATOM 179 O LYS A 15 -11.833 2.101 -7.703 1.00 0.00 O ATOM 180 CB LYS A 15 -14.026 3.017 -5.586 1.00 0.00 C ATOM 181 CG LYS A 15 -14.627 3.701 -4.370 1.00 0.00 C ATOM 182 CD LYS A 15 -16.088 3.328 -4.185 1.00 0.00 C ATOM 183 CE LYS A 15 -16.595 3.728 -2.808 1.00 0.00 C ATOM 184 NZ LYS A 15 -18.066 3.532 -2.680 1.00 0.00 N ATOM 0 HA LYS A 15 -12.174 2.680 -4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.335 3.553 -6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.431 2.008 -5.662 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.064 3.422 -3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.538 4.782 -4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.689 3.817 -4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.210 2.253 -4.321 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.083 3.139 -2.047 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.350 4.773 -2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.372 3.816 -1.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.557 4.113 -3.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.297 2.530 -2.834 1.00 0.00 H new ATOM 198 N ARG A 16 -11.805 0.654 -5.979 1.00 0.00 N ATOM 199 CA ARG A 16 -11.341 -0.468 -6.786 1.00 0.00 C ATOM 200 C ARG A 16 -12.517 -1.209 -7.414 1.00 0.00 C ATOM 201 O ARG A 16 -13.515 -1.486 -6.750 1.00 0.00 O ATOM 202 CB ARG A 16 -10.515 -1.431 -5.931 1.00 0.00 C ATOM 203 CG ARG A 16 -10.017 -2.648 -6.694 1.00 0.00 C ATOM 204 CD ARG A 16 -9.874 -3.857 -5.782 1.00 0.00 C ATOM 205 NE ARG A 16 -9.700 -5.095 -6.538 1.00 0.00 N ATOM 206 CZ ARG A 16 -9.803 -6.305 -6.000 1.00 0.00 C ATOM 207 NH1 ARG A 16 -10.079 -6.439 -4.710 1.00 0.00 N ATOM 208 NH2 ARG A 16 -9.631 -7.384 -6.752 1.00 0.00 N ATOM 0 H ARG A 16 -11.951 0.433 -4.994 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.714 -0.074 -7.586 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.659 -0.896 -5.519 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.119 -1.764 -5.087 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.710 -2.881 -7.502 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.055 -2.422 -7.154 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.020 -3.713 -5.120 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.757 -3.940 -5.149 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.488 -5.026 -7.533 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.213 -5.612 -4.128 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.158 -7.369 -4.299 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.419 -7.285 -7.745 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.710 -8.313 -6.337 1.00 0.00 H new ATOM 222 N ASN A 17 -12.392 -1.526 -8.699 1.00 0.00 N ATOM 223 CA ASN A 17 -13.446 -2.234 -9.418 1.00 0.00 C ATOM 224 C ASN A 17 -13.236 -3.743 -9.344 1.00 0.00 C ATOM 225 O ASN A 17 -12.111 -4.241 -9.398 1.00 0.00 O ATOM 226 CB ASN A 17 -13.486 -1.784 -10.880 1.00 0.00 C ATOM 227 CG ASN A 17 -14.020 -0.373 -11.036 1.00 0.00 C ATOM 228 OD1 ASN A 17 -15.226 -0.165 -11.166 1.00 0.00 O ATOM 229 ND2 ASN A 17 -13.121 0.604 -11.025 1.00 0.00 N ATOM 0 H ASN A 17 -11.572 -1.304 -9.264 1.00 0.00 H new ATOM 0 HA ASN A 17 -14.398 -1.994 -8.945 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.482 -1.838 -11.302 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -14.110 -2.471 -11.452 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.420 1.574 -11.127 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.131 0.385 -10.915 1.00 0.00 H new ATOM 236 N PRO A 18 -14.343 -4.489 -9.218 1.00 0.00 N ATOM 237 CA PRO A 18 -14.306 -5.952 -9.135 1.00 0.00 C ATOM 238 C PRO A 18 -13.903 -6.598 -10.456 1.00 0.00 C ATOM 239 O PRO A 18 -13.164 -7.581 -10.478 1.00 0.00 O ATOM 240 CB PRO A 18 -15.747 -6.323 -8.776 1.00 0.00 C ATOM 241 CG PRO A 18 -16.569 -5.192 -9.290 1.00 0.00 C ATOM 242 CD PRO A 18 -15.716 -3.962 -9.147 1.00 0.00 C ATOM 0 HA PRO A 18 -13.569 -6.301 -8.412 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.039 -7.266 -9.237 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.868 -6.443 -7.699 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -16.849 -5.354 -10.331 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.495 -5.093 -8.723 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.912 -3.243 -9.942 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.902 -3.451 -8.202 1.00 0.00 H new ATOM 250 N ASN A 19 -14.394 -6.038 -11.557 1.00 0.00 N ATOM 251 CA ASN A 19 -14.085 -6.560 -12.883 1.00 0.00 C ATOM 252 C ASN A 19 -12.585 -6.501 -13.155 1.00 0.00 C ATOM 253 O ASN A 19 -12.008 -7.432 -13.716 1.00 0.00 O ATOM 254 CB ASN A 19 -14.840 -5.769 -13.954 1.00 0.00 C ATOM 255 CG ASN A 19 -14.370 -4.330 -14.050 1.00 0.00 C ATOM 256 OD1 ASN A 19 -13.326 -4.044 -14.637 1.00 0.00 O ATOM 257 ND2 ASN A 19 -15.140 -3.417 -13.470 1.00 0.00 N ATOM 0 H ASN A 19 -15.007 -5.223 -11.557 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.402 -7.602 -12.919 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.710 -6.256 -14.920 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -15.907 -5.786 -13.730 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -14.875 -2.433 -13.500 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -15.997 -3.700 -12.995 1.00 0.00 H new ATOM 264 N ALA A 20 -11.959 -5.400 -12.752 1.00 0.00 N ATOM 265 CA ALA A 20 -10.526 -5.220 -12.949 1.00 0.00 C ATOM 266 C ALA A 20 -9.742 -6.398 -12.380 1.00 0.00 C ATOM 267 O ALA A 20 -9.965 -6.836 -11.251 1.00 0.00 O ATOM 268 CB ALA A 20 -10.065 -3.918 -12.311 1.00 0.00 C ATOM 0 H ALA A 20 -12.422 -4.619 -12.287 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.334 -5.174 -14.021 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.993 -3.797 -12.466 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.595 -3.082 -12.767 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.277 -3.942 -11.242 1.00 0.00 H new ATOM 274 N PRO A 21 -8.800 -6.924 -13.177 1.00 0.00 N ATOM 275 CA PRO A 21 -7.964 -8.058 -12.773 1.00 0.00 C ATOM 276 C PRO A 21 -6.968 -7.684 -11.681 1.00 0.00 C ATOM 277 O PRO A 21 -6.279 -6.668 -11.776 1.00 0.00 O ATOM 278 CB PRO A 21 -7.228 -8.433 -14.062 1.00 0.00 C ATOM 279 CG PRO A 21 -7.204 -7.177 -14.863 1.00 0.00 C ATOM 280 CD PRO A 21 -8.480 -6.452 -14.535 1.00 0.00 C ATOM 0 HA PRO A 21 -8.556 -8.871 -12.352 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.219 -8.789 -13.853 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.744 -9.232 -14.594 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.334 -6.570 -14.611 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.142 -7.395 -15.929 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.347 -5.371 -14.564 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.273 -6.694 -15.242 1.00 0.00 H new ATOM 288 N VAL A 22 -6.898 -8.511 -10.642 1.00 0.00 N ATOM 289 CA VAL A 22 -5.985 -8.267 -9.532 1.00 0.00 C ATOM 290 C VAL A 22 -4.533 -8.425 -9.969 1.00 0.00 C ATOM 291 O VAL A 22 -4.103 -9.512 -10.355 1.00 0.00 O ATOM 292 CB VAL A 22 -6.262 -9.224 -8.357 1.00 0.00 C ATOM 293 CG1 VAL A 22 -6.158 -10.672 -8.811 1.00 0.00 C ATOM 294 CG2 VAL A 22 -5.305 -8.947 -7.207 1.00 0.00 C ATOM 0 H VAL A 22 -7.462 -9.355 -10.546 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.153 -7.241 -9.204 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.278 -9.052 -8.003 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.357 -11.333 -7.967 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.888 -10.860 -9.599 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.155 -10.863 -9.193 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.515 -9.632 -6.386 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.279 -9.090 -7.545 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.435 -7.920 -6.865 1.00 0.00 H new ATOM 304 N THR A 23 -3.779 -7.331 -9.907 1.00 0.00 N ATOM 305 CA THR A 23 -2.375 -7.347 -10.297 1.00 0.00 C ATOM 306 C THR A 23 -1.558 -8.243 -9.373 1.00 0.00 C ATOM 307 O THR A 23 -0.900 -9.181 -9.824 1.00 0.00 O ATOM 308 CB THR A 23 -1.772 -5.930 -10.284 1.00 0.00 C ATOM 309 OG1 THR A 23 -2.593 -5.041 -11.049 1.00 0.00 O ATOM 310 CG2 THR A 23 -0.360 -5.937 -10.849 1.00 0.00 C ATOM 0 H THR A 23 -4.118 -6.423 -9.590 1.00 0.00 H new ATOM 0 HA THR A 23 -2.334 -7.742 -11.312 1.00 0.00 H new ATOM 0 HB THR A 23 -1.731 -5.587 -9.250 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.204 -4.142 -11.034 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.045 -4.925 -10.829 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.270 -6.591 -10.246 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.381 -6.299 -11.877 1.00 0.00 H new ATOM 318 N LYS A 24 -1.604 -7.950 -8.079 1.00 0.00 N ATOM 319 CA LYS A 24 -0.870 -8.730 -7.090 1.00 0.00 C ATOM 320 C LYS A 24 -1.566 -8.683 -5.733 1.00 0.00 C ATOM 321 O LYS A 24 -2.007 -7.624 -5.288 1.00 0.00 O ATOM 322 CB LYS A 24 0.562 -8.207 -6.958 1.00 0.00 C ATOM 323 CG LYS A 24 1.550 -9.253 -6.471 1.00 0.00 C ATOM 324 CD LYS A 24 2.860 -8.621 -6.031 1.00 0.00 C ATOM 325 CE LYS A 24 3.589 -9.495 -5.022 1.00 0.00 C ATOM 326 NZ LYS A 24 4.117 -10.740 -5.646 1.00 0.00 N ATOM 0 H LYS A 24 -2.143 -7.177 -7.690 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.843 -9.766 -7.429 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.893 -7.830 -7.926 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.569 -7.363 -6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.115 -9.807 -5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.741 -9.972 -7.267 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.497 -8.458 -6.900 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.664 -7.643 -5.592 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.412 -8.932 -4.582 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.910 -9.755 -4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.774 -11.207 -4.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.328 -11.382 -5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.619 -10.502 -6.525 1.00 0.00 H new ATOM 340 N ALA A 25 -1.659 -9.837 -5.081 1.00 0.00 N ATOM 341 CA ALA A 25 -2.299 -9.926 -3.774 1.00 0.00 C ATOM 342 C ALA A 25 -1.401 -10.644 -2.772 1.00 0.00 C ATOM 343 O ALA A 25 -0.780 -11.656 -3.094 1.00 0.00 O ATOM 344 CB ALA A 25 -3.639 -10.637 -3.889 1.00 0.00 C ATOM 0 H ALA A 25 -1.300 -10.723 -5.436 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.469 -8.913 -3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.105 -10.696 -2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.289 -10.082 -4.566 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.485 -11.643 -4.278 1.00 0.00 H new ATOM 350 N GLY A 26 -1.337 -10.112 -1.555 1.00 0.00 N ATOM 351 CA GLY A 26 -0.511 -10.715 -0.525 1.00 0.00 C ATOM 352 C GLY A 26 -0.604 -9.980 0.797 1.00 0.00 C ATOM 353 O GLY A 26 -0.820 -8.768 0.827 1.00 0.00 O ATOM 0 H GLY A 26 -1.842 -9.275 -1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.813 -11.752 -0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.527 -10.728 -0.858 1.00 0.00 H new ATOM 357 N TRP A 27 -0.444 -10.713 1.893 1.00 0.00 N ATOM 358 CA TRP A 27 -0.513 -10.122 3.225 1.00 0.00 C ATOM 359 C TRP A 27 0.724 -9.277 3.510 1.00 0.00 C ATOM 360 O TRP A 27 1.818 -9.806 3.704 1.00 0.00 O ATOM 361 CB TRP A 27 -0.653 -11.216 4.284 1.00 0.00 C ATOM 362 CG TRP A 27 -2.060 -11.708 4.447 1.00 0.00 C ATOM 363 CD1 TRP A 27 -2.609 -12.823 3.882 1.00 0.00 C ATOM 364 CD2 TRP A 27 -3.095 -11.099 5.226 1.00 0.00 C ATOM 365 NE1 TRP A 27 -3.923 -12.945 4.263 1.00 0.00 N ATOM 366 CE2 TRP A 27 -4.246 -11.900 5.088 1.00 0.00 C ATOM 367 CE3 TRP A 27 -3.162 -9.957 6.028 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -5.447 -11.592 5.722 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -4.355 -9.653 6.656 1.00 0.00 C ATOM 370 CH2 TRP A 27 -5.484 -10.468 6.501 1.00 0.00 C ATOM 0 H TRP A 27 -0.266 -11.717 1.886 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.389 -9.475 3.263 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -0.011 -12.055 4.016 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.296 -10.834 5.240 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -2.087 -13.509 3.231 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -4.556 -13.692 3.978 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.297 -9.323 6.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -6.319 -12.218 5.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.418 -8.772 7.277 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.401 -10.204 7.006 1.00 0.00 H new ATOM 381 N LEU A 28 0.543 -7.961 3.534 1.00 0.00 N ATOM 382 CA LEU A 28 1.645 -7.042 3.796 1.00 0.00 C ATOM 383 C LEU A 28 1.466 -6.348 5.143 1.00 0.00 C ATOM 384 O LEU A 28 0.434 -6.495 5.797 1.00 0.00 O ATOM 385 CB LEU A 28 1.741 -5.999 2.681 1.00 0.00 C ATOM 386 CG LEU A 28 2.403 -6.464 1.383 1.00 0.00 C ATOM 387 CD1 LEU A 28 2.314 -5.379 0.321 1.00 0.00 C ATOM 388 CD2 LEU A 28 3.854 -6.851 1.633 1.00 0.00 C ATOM 0 H LEU A 28 -0.356 -7.507 3.375 1.00 0.00 H new ATOM 0 HA LEU A 28 2.569 -7.620 3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.734 -5.652 2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.295 -5.140 3.061 1.00 0.00 H new ATOM 0 HG LEU A 28 1.871 -7.344 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.790 -5.727 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.267 -5.150 0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.821 -4.481 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.309 -7.179 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.399 -5.990 2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.894 -7.662 2.361 1.00 0.00 H new ATOM 400 N PHE A 29 2.478 -5.589 5.550 1.00 0.00 N ATOM 401 CA PHE A 29 2.433 -4.870 6.818 1.00 0.00 C ATOM 402 C PHE A 29 2.587 -3.368 6.598 1.00 0.00 C ATOM 403 O PHE A 29 3.487 -2.922 5.886 1.00 0.00 O ATOM 404 CB PHE A 29 3.533 -5.375 7.754 1.00 0.00 C ATOM 405 CG PHE A 29 3.370 -6.816 8.149 1.00 0.00 C ATOM 406 CD1 PHE A 29 3.418 -7.819 7.194 1.00 0.00 C ATOM 407 CD2 PHE A 29 3.168 -7.166 9.474 1.00 0.00 C ATOM 408 CE1 PHE A 29 3.269 -9.145 7.553 1.00 0.00 C ATOM 409 CE2 PHE A 29 3.019 -8.491 9.839 1.00 0.00 C ATOM 410 CZ PHE A 29 3.068 -9.481 8.878 1.00 0.00 C ATOM 0 H PHE A 29 3.339 -5.456 5.020 1.00 0.00 H new ATOM 0 HA PHE A 29 1.462 -5.054 7.277 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.500 -5.247 7.267 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.545 -4.759 8.653 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.574 -7.561 6.157 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.126 -6.396 10.230 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.310 -9.917 6.799 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.864 -8.752 10.876 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.949 -10.516 9.161 1.00 0.00 H new ATOM 420 N LYS A 30 1.701 -2.593 7.215 1.00 0.00 N ATOM 421 CA LYS A 30 1.737 -1.140 7.088 1.00 0.00 C ATOM 422 C LYS A 30 2.192 -0.492 8.392 1.00 0.00 C ATOM 423 O LYS A 30 1.542 -0.636 9.427 1.00 0.00 O ATOM 424 CB LYS A 30 0.357 -0.608 6.696 1.00 0.00 C ATOM 425 CG LYS A 30 0.395 0.771 6.062 1.00 0.00 C ATOM 426 CD LYS A 30 -0.827 1.018 5.192 1.00 0.00 C ATOM 427 CE LYS A 30 -1.157 2.501 5.104 1.00 0.00 C ATOM 428 NZ LYS A 30 -1.770 3.008 6.363 1.00 0.00 N ATOM 0 H LYS A 30 0.950 -2.946 7.808 1.00 0.00 H new ATOM 0 HA LYS A 30 2.453 -0.885 6.307 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.108 -1.306 6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.275 -0.574 7.583 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.447 1.530 6.842 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.298 0.871 5.460 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.649 0.624 4.192 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.681 0.477 5.600 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.248 3.063 4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.841 2.672 4.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.179 3.949 6.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.518 2.355 6.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.041 3.074 7.102 1.00 0.00 H new ATOM 442 N GLN A 31 3.312 0.222 8.333 1.00 0.00 N ATOM 443 CA GLN A 31 3.852 0.893 9.509 1.00 0.00 C ATOM 444 C GLN A 31 2.770 1.696 10.223 1.00 0.00 C ATOM 445 O GLN A 31 1.842 2.203 9.593 1.00 0.00 O ATOM 446 CB GLN A 31 5.008 1.813 9.112 1.00 0.00 C ATOM 447 CG GLN A 31 6.047 1.992 10.207 1.00 0.00 C ATOM 448 CD GLN A 31 6.881 3.244 10.021 1.00 0.00 C ATOM 449 OE1 GLN A 31 6.397 4.360 10.211 1.00 0.00 O ATOM 450 NE2 GLN A 31 8.143 3.066 9.647 1.00 0.00 N ATOM 0 H GLN A 31 3.862 0.350 7.484 1.00 0.00 H new ATOM 0 HA GLN A 31 4.223 0.130 10.193 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.494 1.409 8.224 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.607 2.789 8.840 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.546 2.034 11.174 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.704 1.122 10.225 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.503 2.123 9.501 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.752 3.872 9.506 1.00 0.00 H new ATOM 459 N ALA A 32 2.896 1.808 11.541 1.00 0.00 N ATOM 460 CA ALA A 32 1.930 2.551 12.341 1.00 0.00 C ATOM 461 C ALA A 32 1.999 4.044 12.038 1.00 0.00 C ATOM 462 O ALA A 32 3.074 4.643 12.066 1.00 0.00 O ATOM 463 CB ALA A 32 2.165 2.299 13.823 1.00 0.00 C ATOM 0 H ALA A 32 3.658 1.393 12.078 1.00 0.00 H new ATOM 0 HA ALA A 32 0.932 2.200 12.079 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.436 2.860 14.408 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.056 1.235 14.033 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.171 2.621 14.092 1.00 0.00 H new ATOM 536 N GLN A 38 5.187 0.168 15.738 1.00 0.00 N ATOM 537 CA GLN A 38 4.588 -1.137 15.486 1.00 0.00 C ATOM 538 C GLN A 38 4.253 -1.306 14.007 1.00 0.00 C ATOM 539 O GLN A 38 4.395 -0.372 13.218 1.00 0.00 O ATOM 540 CB GLN A 38 3.325 -1.314 16.330 1.00 0.00 C ATOM 541 CG GLN A 38 2.158 -0.457 15.866 1.00 0.00 C ATOM 542 CD GLN A 38 0.856 -0.823 16.552 1.00 0.00 C ATOM 543 OE1 GLN A 38 0.841 -0.739 17.877 1.00 0.00 O flip ATOM 544 NE2 GLN A 38 -0.125 -1.178 15.898 1.00 0.00 N flip ATOM 0 HA GLN A 38 5.313 -1.901 15.766 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.027 -2.362 16.307 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.554 -1.070 17.367 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.383 0.592 16.059 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.039 -0.565 14.788 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.069 -1.228 14.881 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.994 -1.422 16.373 1.00 0.00 H new ATOM 553 N TRP A 39 3.807 -2.502 13.640 1.00 0.00 N ATOM 554 CA TRP A 39 3.452 -2.792 12.255 1.00 0.00 C ATOM 555 C TRP A 39 2.156 -3.592 12.182 1.00 0.00 C ATOM 556 O TRP A 39 2.100 -4.741 12.617 1.00 0.00 O ATOM 557 CB TRP A 39 4.581 -3.563 11.569 1.00 0.00 C ATOM 558 CG TRP A 39 5.792 -2.723 11.293 1.00 0.00 C ATOM 559 CD1 TRP A 39 6.769 -2.377 12.182 1.00 0.00 C ATOM 560 CD2 TRP A 39 6.152 -2.123 10.044 1.00 0.00 C ATOM 561 NE1 TRP A 39 7.715 -1.598 11.561 1.00 0.00 N ATOM 562 CE2 TRP A 39 7.360 -1.428 10.249 1.00 0.00 C ATOM 563 CE3 TRP A 39 5.572 -2.106 8.772 1.00 0.00 C ATOM 564 CZ2 TRP A 39 7.995 -0.724 9.229 1.00 0.00 C ATOM 565 CZ3 TRP A 39 6.205 -1.408 7.761 1.00 0.00 C ATOM 566 CH2 TRP A 39 7.406 -0.725 7.994 1.00 0.00 C ATOM 0 H TRP A 39 3.683 -3.286 14.281 1.00 0.00 H new ATOM 0 HA TRP A 39 3.302 -1.844 11.738 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.868 -4.407 12.196 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.212 -3.975 10.630 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.794 -2.672 13.221 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.547 -1.209 12.005 1.00 0.00 H new ATOM 0 HE3 TRP A 39 4.646 -2.629 8.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 8.920 -0.196 9.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 5.766 -1.389 6.774 1.00 0.00 H new ATOM 0 HH2 TRP A 39 7.876 -0.189 7.183 1.00 0.00 H new ATOM 577 N ASN A 40 1.116 -2.976 11.628 1.00 0.00 N ATOM 578 CA ASN A 40 -0.180 -3.632 11.499 1.00 0.00 C ATOM 579 C ASN A 40 -0.245 -4.460 10.219 1.00 0.00 C ATOM 580 O ASN A 40 0.027 -3.960 9.128 1.00 0.00 O ATOM 581 CB ASN A 40 -1.303 -2.593 11.505 1.00 0.00 C ATOM 582 CG ASN A 40 -1.463 -1.922 12.855 1.00 0.00 C ATOM 583 OD1 ASN A 40 -0.605 -0.949 13.138 1.00 0.00 O flip ATOM 584 ND2 ASN A 40 -2.348 -2.275 13.635 1.00 0.00 N flip ATOM 0 H ASN A 40 1.146 -2.025 11.262 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.308 -4.301 12.350 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.098 -1.836 10.748 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.241 -3.074 11.228 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.986 -3.028 13.376 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.443 -1.815 14.540 1.00 0.00 H new ATOM 591 N LYS A 41 -0.608 -5.731 10.361 1.00 0.00 N ATOM 592 CA LYS A 41 -0.711 -6.630 9.218 1.00 0.00 C ATOM 593 C LYS A 41 -2.105 -6.568 8.602 1.00 0.00 C ATOM 594 O LYS A 41 -3.108 -6.759 9.290 1.00 0.00 O ATOM 595 CB LYS A 41 -0.393 -8.065 9.642 1.00 0.00 C ATOM 596 CG LYS A 41 -0.624 -9.089 8.544 1.00 0.00 C ATOM 597 CD LYS A 41 -0.954 -10.457 9.117 1.00 0.00 C ATOM 598 CE LYS A 41 -0.558 -11.572 8.161 1.00 0.00 C ATOM 599 NZ LYS A 41 0.918 -11.758 8.107 1.00 0.00 N ATOM 0 H LYS A 41 -0.836 -6.161 11.257 1.00 0.00 H new ATOM 0 HA LYS A 41 0.013 -6.310 8.469 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.647 -8.118 9.964 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.007 -8.325 10.504 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.439 -8.757 7.901 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.266 -9.161 7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.436 -10.589 10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.022 -10.517 9.326 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.030 -12.503 8.474 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.932 -11.344 7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.205 -11.974 7.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.390 -10.886 8.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.192 -12.544 8.730 1.00 0.00 H new ATOM 613 N ARG A 42 -2.161 -6.302 7.301 1.00 0.00 N ATOM 614 CA ARG A 42 -3.432 -6.215 6.592 1.00 0.00 C ATOM 615 C ARG A 42 -3.312 -6.798 5.187 1.00 0.00 C ATOM 616 O ARG A 42 -2.214 -6.900 4.638 1.00 0.00 O ATOM 617 CB ARG A 42 -3.899 -4.760 6.514 1.00 0.00 C ATOM 618 CG ARG A 42 -4.045 -4.094 7.872 1.00 0.00 C ATOM 619 CD ARG A 42 -5.446 -4.279 8.435 1.00 0.00 C ATOM 620 NE ARG A 42 -5.458 -4.239 9.895 1.00 0.00 N ATOM 621 CZ ARG A 42 -6.462 -4.700 10.633 1.00 0.00 C ATOM 622 NH1 ARG A 42 -7.527 -5.233 10.052 1.00 0.00 N ATOM 623 NH2 ARG A 42 -6.400 -4.629 11.957 1.00 0.00 N ATOM 0 H ARG A 42 -1.340 -6.143 6.716 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.169 -6.796 7.146 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.189 -4.191 5.914 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.857 -4.722 5.995 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.315 -4.513 8.564 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.825 -3.030 7.782 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.099 -3.498 8.045 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.851 -5.232 8.095 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.653 -3.836 10.374 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.578 -5.290 9.035 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.296 -5.586 10.622 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.581 -4.220 12.408 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.171 -4.983 12.523 1.00 0.00 H new ATOM 637 N TRP A 43 -4.446 -7.180 4.612 1.00 0.00 N ATOM 638 CA TRP A 43 -4.468 -7.754 3.271 1.00 0.00 C ATOM 639 C TRP A 43 -4.274 -6.673 2.213 1.00 0.00 C ATOM 640 O TRP A 43 -5.102 -5.772 2.074 1.00 0.00 O ATOM 641 CB TRP A 43 -5.786 -8.490 3.030 1.00 0.00 C ATOM 642 CG TRP A 43 -5.829 -9.219 1.721 1.00 0.00 C ATOM 643 CD1 TRP A 43 -6.731 -9.038 0.711 1.00 0.00 C ATOM 644 CD2 TRP A 43 -4.933 -10.246 1.283 1.00 0.00 C ATOM 645 NE1 TRP A 43 -6.449 -9.891 -0.329 1.00 0.00 N ATOM 646 CE2 TRP A 43 -5.350 -10.642 -0.003 1.00 0.00 C ATOM 647 CE3 TRP A 43 -3.818 -10.868 1.850 1.00 0.00 C ATOM 648 CZ2 TRP A 43 -4.691 -11.631 -0.728 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -3.165 -11.851 1.130 1.00 0.00 C ATOM 650 CH2 TRP A 43 -3.603 -12.224 -0.148 1.00 0.00 C ATOM 0 H TRP A 43 -5.363 -7.103 5.053 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.645 -8.464 3.193 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -5.950 -9.201 3.839 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.606 -7.773 3.065 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.546 -8.329 0.727 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.973 -9.955 -1.202 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.472 -10.586 2.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.027 -11.920 -1.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.303 -12.340 1.559 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.071 -12.995 -0.686 1.00 0.00 H new ATOM 661 N PHE A 44 -3.177 -6.768 1.470 1.00 0.00 N ATOM 662 CA PHE A 44 -2.875 -5.797 0.425 1.00 0.00 C ATOM 663 C PHE A 44 -3.239 -6.347 -0.951 1.00 0.00 C ATOM 664 O PHE A 44 -2.971 -7.509 -1.258 1.00 0.00 O ATOM 665 CB PHE A 44 -1.392 -5.421 0.461 1.00 0.00 C ATOM 666 CG PHE A 44 -1.088 -4.262 1.366 1.00 0.00 C ATOM 667 CD1 PHE A 44 -1.611 -4.213 2.648 1.00 0.00 C ATOM 668 CD2 PHE A 44 -0.280 -3.223 0.936 1.00 0.00 C ATOM 669 CE1 PHE A 44 -1.334 -3.147 3.484 1.00 0.00 C ATOM 670 CE2 PHE A 44 0.001 -2.154 1.767 1.00 0.00 C ATOM 671 CZ PHE A 44 -0.526 -2.117 3.043 1.00 0.00 C ATOM 0 H PHE A 44 -2.482 -7.508 1.572 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.473 -4.905 0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.814 -6.286 0.786 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.062 -5.179 -0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.242 -5.016 2.998 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.136 -3.248 -0.060 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.749 -3.120 4.481 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.632 -1.349 1.419 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.307 -1.284 3.695 1.00 0.00 H new ATOM 681 N VAL A 45 -3.851 -5.504 -1.776 1.00 0.00 N ATOM 682 CA VAL A 45 -4.252 -5.905 -3.120 1.00 0.00 C ATOM 683 C VAL A 45 -3.939 -4.813 -4.135 1.00 0.00 C ATOM 684 O VAL A 45 -4.295 -3.649 -3.942 1.00 0.00 O ATOM 685 CB VAL A 45 -5.755 -6.234 -3.182 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.148 -6.677 -4.583 1.00 0.00 C ATOM 687 CG2 VAL A 45 -6.110 -7.302 -2.158 1.00 0.00 C ATOM 0 H VAL A 45 -4.080 -4.539 -1.538 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.682 -6.800 -3.367 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.316 -5.331 -2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.214 -6.905 -4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.932 -5.877 -5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.580 -7.567 -4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.176 -7.522 -2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.541 -8.208 -2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.868 -6.942 -1.158 1.00 0.00 H new ATOM 697 N LEU A 46 -3.272 -5.194 -5.219 1.00 0.00 N ATOM 698 CA LEU A 46 -2.911 -4.246 -6.268 1.00 0.00 C ATOM 699 C LEU A 46 -3.830 -4.394 -7.476 1.00 0.00 C ATOM 700 O LEU A 46 -3.814 -5.418 -8.160 1.00 0.00 O ATOM 701 CB LEU A 46 -1.456 -4.454 -6.692 1.00 0.00 C ATOM 702 CG LEU A 46 -0.914 -3.477 -7.735 1.00 0.00 C ATOM 703 CD1 LEU A 46 -0.649 -2.117 -7.107 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.352 -4.027 -8.375 1.00 0.00 C ATOM 0 H LEU A 46 -2.970 -6.152 -5.395 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.026 -3.239 -5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.827 -4.391 -5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.354 -5.466 -7.084 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.666 -3.354 -8.514 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.264 -1.435 -7.865 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.577 -1.718 -6.698 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.084 -2.222 -6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.723 -3.318 -9.115 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.110 -4.181 -7.607 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.131 -4.977 -8.862 1.00 0.00 H new ATOM 716 N VAL A 47 -4.630 -3.364 -7.734 1.00 0.00 N ATOM 717 CA VAL A 47 -5.554 -3.378 -8.862 1.00 0.00 C ATOM 718 C VAL A 47 -5.625 -2.011 -9.532 1.00 0.00 C ATOM 719 O VAL A 47 -5.765 -0.987 -8.862 1.00 0.00 O ATOM 720 CB VAL A 47 -6.970 -3.796 -8.422 1.00 0.00 C ATOM 721 CG1 VAL A 47 -7.992 -3.420 -9.484 1.00 0.00 C ATOM 722 CG2 VAL A 47 -7.018 -5.288 -8.129 1.00 0.00 C ATOM 0 H VAL A 47 -4.657 -2.510 -7.177 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.172 -4.109 -9.575 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.220 -3.261 -7.506 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.986 -3.723 -9.156 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.974 -2.341 -9.640 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.749 -3.926 -10.418 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.026 -5.566 -7.820 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.748 -5.844 -9.027 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.315 -5.525 -7.330 1.00 0.00 H new ATOM 732 N ASP A 48 -5.527 -2.001 -10.856 1.00 0.00 N ATOM 733 CA ASP A 48 -5.581 -0.759 -11.618 1.00 0.00 C ATOM 734 C ASP A 48 -4.448 0.178 -11.211 1.00 0.00 C ATOM 735 O ASP A 48 -4.683 1.328 -10.840 1.00 0.00 O ATOM 736 CB ASP A 48 -6.930 -0.068 -11.412 1.00 0.00 C ATOM 737 CG ASP A 48 -7.315 0.812 -12.585 1.00 0.00 C ATOM 738 OD1 ASP A 48 -6.844 1.968 -12.641 1.00 0.00 O ATOM 739 OD2 ASP A 48 -8.087 0.345 -13.449 1.00 0.00 O ATOM 0 H ASP A 48 -5.410 -2.840 -11.425 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.464 -1.004 -12.674 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.702 -0.822 -11.259 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.891 0.536 -10.506 1.00 0.00 H new ATOM 744 N ARG A 49 -3.219 -0.322 -11.283 1.00 0.00 N ATOM 745 CA ARG A 49 -2.050 0.469 -10.920 1.00 0.00 C ATOM 746 C ARG A 49 -2.277 1.202 -9.600 1.00 0.00 C ATOM 747 O ARG A 49 -1.669 2.241 -9.343 1.00 0.00 O ATOM 748 CB ARG A 49 -1.726 1.476 -12.025 1.00 0.00 C ATOM 749 CG ARG A 49 -0.985 0.868 -13.205 1.00 0.00 C ATOM 750 CD ARG A 49 -0.218 1.924 -13.985 1.00 0.00 C ATOM 751 NE ARG A 49 0.050 1.502 -15.358 1.00 0.00 N ATOM 752 CZ ARG A 49 -0.816 1.650 -16.354 1.00 0.00 C ATOM 753 NH1 ARG A 49 -1.999 2.206 -16.132 1.00 0.00 N ATOM 754 NH2 ARG A 49 -0.499 1.242 -17.576 1.00 0.00 N ATOM 0 H ARG A 49 -3.007 -1.272 -11.590 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.207 -0.211 -10.798 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.654 1.923 -12.381 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.124 2.282 -11.605 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.294 0.104 -12.848 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.696 0.371 -13.865 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.789 2.853 -13.996 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.725 2.135 -13.480 1.00 0.00 H new ATOM 0 HE ARG A 49 0.951 1.070 -15.563 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.246 2.522 -15.194 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.662 2.318 -16.899 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.410 0.814 -17.751 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.165 1.356 -18.340 1.00 0.00 H new ATOM 768 N CYS A 50 -3.156 0.653 -8.769 1.00 0.00 N ATOM 769 CA CYS A 50 -3.465 1.254 -7.477 1.00 0.00 C ATOM 770 C CYS A 50 -3.365 0.222 -6.359 1.00 0.00 C ATOM 771 O CYS A 50 -3.492 -0.980 -6.596 1.00 0.00 O ATOM 772 CB CYS A 50 -4.866 1.867 -7.498 1.00 0.00 C ATOM 773 SG CYS A 50 -4.986 3.401 -8.448 1.00 0.00 S ATOM 0 H CYS A 50 -3.667 -0.207 -8.967 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.735 2.041 -7.287 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.563 1.139 -7.913 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.181 2.061 -6.473 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.908 3.132 -9.718 1.00 0.00 H new ATOM 779 N LEU A 51 -3.135 0.698 -5.140 1.00 0.00 N ATOM 780 CA LEU A 51 -3.017 -0.184 -3.984 1.00 0.00 C ATOM 781 C LEU A 51 -4.258 -0.095 -3.101 1.00 0.00 C ATOM 782 O LEU A 51 -4.706 0.996 -2.751 1.00 0.00 O ATOM 783 CB LEU A 51 -1.772 0.174 -3.170 1.00 0.00 C ATOM 784 CG LEU A 51 -1.159 -0.960 -2.348 1.00 0.00 C ATOM 785 CD1 LEU A 51 0.290 -0.648 -2.005 1.00 0.00 C ATOM 786 CD2 LEU A 51 -1.969 -1.200 -1.082 1.00 0.00 C ATOM 0 H LEU A 51 -3.027 1.690 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.925 -1.208 -4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.012 0.552 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.027 0.990 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.181 -1.870 -2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.710 -1.466 -1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.864 -0.528 -2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.336 0.274 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.518 -2.011 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.979 -0.292 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.991 -1.470 -1.349 1.00 0.00 H new ATOM 798 N PHE A 52 -4.807 -1.251 -2.744 1.00 0.00 N ATOM 799 CA PHE A 52 -5.996 -1.304 -1.901 1.00 0.00 C ATOM 800 C PHE A 52 -5.825 -2.328 -0.783 1.00 0.00 C ATOM 801 O PHE A 52 -5.636 -3.518 -1.040 1.00 0.00 O ATOM 802 CB PHE A 52 -7.228 -1.650 -2.741 1.00 0.00 C ATOM 803 CG PHE A 52 -7.399 -0.768 -3.944 1.00 0.00 C ATOM 804 CD1 PHE A 52 -7.632 0.590 -3.797 1.00 0.00 C ATOM 805 CD2 PHE A 52 -7.329 -1.297 -5.223 1.00 0.00 C ATOM 806 CE1 PHE A 52 -7.790 1.404 -4.903 1.00 0.00 C ATOM 807 CE2 PHE A 52 -7.486 -0.488 -6.332 1.00 0.00 C ATOM 808 CZ PHE A 52 -7.718 0.864 -6.172 1.00 0.00 C ATOM 0 H PHE A 52 -4.448 -2.163 -3.025 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.136 -0.321 -1.451 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.155 -2.687 -3.068 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.117 -1.575 -2.115 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.691 1.017 -2.807 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.150 -2.354 -5.354 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.970 2.461 -4.775 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.427 -0.913 -7.323 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.843 1.498 -7.038 1.00 0.00 H new ATOM 818 N TYR A 53 -5.892 -1.858 0.457 1.00 0.00 N ATOM 819 CA TYR A 53 -5.742 -2.731 1.615 1.00 0.00 C ATOM 820 C TYR A 53 -7.080 -2.943 2.316 1.00 0.00 C ATOM 821 O TYR A 53 -7.753 -1.984 2.696 1.00 0.00 O ATOM 822 CB TYR A 53 -4.727 -2.142 2.597 1.00 0.00 C ATOM 823 CG TYR A 53 -5.201 -0.872 3.268 1.00 0.00 C ATOM 824 CD1 TYR A 53 -4.952 0.371 2.701 1.00 0.00 C ATOM 825 CD2 TYR A 53 -5.899 -0.917 4.469 1.00 0.00 C ATOM 826 CE1 TYR A 53 -5.383 1.533 3.311 1.00 0.00 C ATOM 827 CE2 TYR A 53 -6.334 0.239 5.085 1.00 0.00 C ATOM 828 CZ TYR A 53 -6.074 1.462 4.503 1.00 0.00 C ATOM 829 OH TYR A 53 -6.506 2.617 5.114 1.00 0.00 O ATOM 0 H TYR A 53 -6.049 -0.877 0.686 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.380 -3.697 1.264 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.501 -2.885 3.362 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.797 -1.938 2.066 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.412 0.430 1.767 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.105 -1.873 4.928 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.180 2.492 2.857 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.875 0.186 6.018 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.977 2.392 5.944 1.00 0.00 H new ATOM 839 N TYR A 54 -7.459 -4.205 2.484 1.00 0.00 N ATOM 840 CA TYR A 54 -8.718 -4.544 3.137 1.00 0.00 C ATOM 841 C TYR A 54 -8.471 -5.135 4.522 1.00 0.00 C ATOM 842 O TYR A 54 -7.513 -5.879 4.731 1.00 0.00 O ATOM 843 CB TYR A 54 -9.510 -5.533 2.281 1.00 0.00 C ATOM 844 CG TYR A 54 -9.804 -5.028 0.887 1.00 0.00 C ATOM 845 CD1 TYR A 54 -8.893 -5.213 -0.146 1.00 0.00 C ATOM 846 CD2 TYR A 54 -10.992 -4.366 0.602 1.00 0.00 C ATOM 847 CE1 TYR A 54 -9.157 -4.752 -1.422 1.00 0.00 C ATOM 848 CE2 TYR A 54 -11.264 -3.903 -0.670 1.00 0.00 C ATOM 849 CZ TYR A 54 -10.344 -4.099 -1.679 1.00 0.00 C ATOM 850 OH TYR A 54 -10.611 -3.638 -2.948 1.00 0.00 O ATOM 0 H TYR A 54 -6.913 -5.010 2.177 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.298 -3.628 3.251 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.952 -6.467 2.210 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.451 -5.761 2.782 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.963 -5.726 0.052 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.715 -4.211 1.389 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.438 -4.902 -2.213 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.192 -3.390 -0.874 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.489 -3.203 -2.960 1.00 0.00 H new ATOM 860 N LYS A 55 -9.344 -4.800 5.465 1.00 0.00 N ATOM 861 CA LYS A 55 -9.225 -5.297 6.831 1.00 0.00 C ATOM 862 C LYS A 55 -8.891 -6.786 6.840 1.00 0.00 C ATOM 863 O LYS A 55 -8.171 -7.264 7.717 1.00 0.00 O ATOM 864 CB LYS A 55 -10.525 -5.051 7.601 1.00 0.00 C ATOM 865 CG LYS A 55 -11.719 -5.797 7.033 1.00 0.00 C ATOM 866 CD LYS A 55 -13.031 -5.199 7.513 1.00 0.00 C ATOM 867 CE LYS A 55 -14.205 -6.120 7.218 1.00 0.00 C ATOM 868 NZ LYS A 55 -14.440 -7.090 8.323 1.00 0.00 N ATOM 0 H LYS A 55 -10.143 -4.186 5.309 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.414 -4.756 7.318 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.383 -5.347 8.640 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.741 -3.983 7.601 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.682 -5.769 5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.667 -6.845 7.327 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.975 -5.011 8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.192 -4.236 7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.104 -5.524 7.061 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.017 -6.663 6.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.438 -7.381 8.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.836 -7.925 8.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.210 -6.642 9.233 1.00 0.00 H new ATOM 882 N ASP A 56 -9.417 -7.511 5.859 1.00 0.00 N ATOM 883 CA ASP A 56 -9.172 -8.945 5.753 1.00 0.00 C ATOM 884 C ASP A 56 -9.041 -9.368 4.293 1.00 0.00 C ATOM 885 O ASP A 56 -9.058 -8.530 3.392 1.00 0.00 O ATOM 886 CB ASP A 56 -10.301 -9.728 6.425 1.00 0.00 C ATOM 887 CG ASP A 56 -11.656 -9.078 6.223 1.00 0.00 C ATOM 888 OD1 ASP A 56 -11.812 -8.326 5.239 1.00 0.00 O ATOM 889 OD2 ASP A 56 -12.559 -9.320 7.051 1.00 0.00 O ATOM 0 H ASP A 56 -10.015 -7.130 5.126 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.234 -9.167 6.262 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.324 -10.742 6.025 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.096 -9.811 7.492 1.00 0.00 H new ATOM 894 N GLU A 57 -8.910 -10.671 4.069 1.00 0.00 N ATOM 895 CA GLU A 57 -8.774 -11.204 2.719 1.00 0.00 C ATOM 896 C GLU A 57 -10.141 -11.376 2.062 1.00 0.00 C ATOM 897 O GLU A 57 -10.396 -12.372 1.384 1.00 0.00 O ATOM 898 CB GLU A 57 -8.037 -12.544 2.746 1.00 0.00 C ATOM 899 CG GLU A 57 -8.734 -13.605 3.581 1.00 0.00 C ATOM 900 CD GLU A 57 -8.095 -14.973 3.438 1.00 0.00 C ATOM 901 OE1 GLU A 57 -8.039 -15.485 2.300 1.00 0.00 O ATOM 902 OE2 GLU A 57 -7.652 -15.532 4.463 1.00 0.00 O ATOM 0 H GLU A 57 -8.895 -11.377 4.805 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.194 -10.492 2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.929 -12.910 1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.032 -12.388 3.137 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.715 -13.307 4.629 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.781 -13.665 3.285 1.00 0.00 H new ATOM 909 N LYS A 58 -11.017 -10.399 2.269 1.00 0.00 N ATOM 910 CA LYS A 58 -12.358 -10.440 1.698 1.00 0.00 C ATOM 911 C LYS A 58 -12.450 -9.554 0.460 1.00 0.00 C ATOM 912 O LYS A 58 -13.209 -9.841 -0.465 1.00 0.00 O ATOM 913 CB LYS A 58 -13.391 -9.994 2.735 1.00 0.00 C ATOM 914 CG LYS A 58 -13.630 -11.016 3.833 1.00 0.00 C ATOM 915 CD LYS A 58 -15.046 -10.928 4.378 1.00 0.00 C ATOM 916 CE LYS A 58 -16.063 -11.449 3.375 1.00 0.00 C ATOM 917 NZ LYS A 58 -17.311 -11.914 4.041 1.00 0.00 N ATOM 0 H LYS A 58 -10.822 -9.569 2.828 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.568 -11.468 1.404 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.060 -9.059 3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.335 -9.788 2.230 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.451 -12.018 3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.917 -10.856 4.642 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.118 -11.502 5.302 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.277 -9.892 4.627 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.304 -10.662 2.660 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.626 -12.271 2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.979 -12.261 3.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.085 -12.682 4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.742 -11.123 4.561 1.00 0.00 H new ATOM 931 N GLU A 59 -11.672 -8.476 0.450 1.00 0.00 N ATOM 932 CA GLU A 59 -11.666 -7.549 -0.675 1.00 0.00 C ATOM 933 C GLU A 59 -13.077 -7.052 -0.978 1.00 0.00 C ATOM 934 O GLU A 59 -13.532 -7.106 -2.119 1.00 0.00 O ATOM 935 CB GLU A 59 -11.072 -8.220 -1.915 1.00 0.00 C ATOM 936 CG GLU A 59 -9.578 -8.473 -1.814 1.00 0.00 C ATOM 937 CD GLU A 59 -9.035 -9.244 -3.002 1.00 0.00 C ATOM 938 OE1 GLU A 59 -8.925 -8.650 -4.095 1.00 0.00 O ATOM 939 OE2 GLU A 59 -8.719 -10.441 -2.837 1.00 0.00 O ATOM 0 H GLU A 59 -11.038 -8.223 1.208 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.048 -6.693 -0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.582 -9.169 -2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.268 -7.594 -2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.056 -7.519 -1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.368 -9.027 -0.899 1.00 0.00 H new ATOM 946 N GLU A 60 -13.762 -6.569 0.054 1.00 0.00 N ATOM 947 CA GLU A 60 -15.121 -6.064 -0.102 1.00 0.00 C ATOM 948 C GLU A 60 -15.183 -4.568 0.193 1.00 0.00 C ATOM 949 O GLU A 60 -15.542 -3.769 -0.671 1.00 0.00 O ATOM 950 CB GLU A 60 -16.078 -6.818 0.824 1.00 0.00 C ATOM 951 CG GLU A 60 -16.090 -8.320 0.595 1.00 0.00 C ATOM 952 CD GLU A 60 -17.096 -8.742 -0.458 1.00 0.00 C ATOM 953 OE1 GLU A 60 -18.311 -8.605 -0.205 1.00 0.00 O ATOM 954 OE2 GLU A 60 -16.668 -9.209 -1.534 1.00 0.00 O ATOM 0 H GLU A 60 -13.399 -6.517 1.006 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.425 -6.225 -1.136 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.801 -6.619 1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -17.087 -6.430 0.684 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.095 -8.645 0.292 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.319 -8.825 1.534 1.00 0.00 H new ATOM 961 N SER A 61 -14.831 -4.198 1.421 1.00 0.00 N ATOM 962 CA SER A 61 -14.850 -2.799 1.832 1.00 0.00 C ATOM 963 C SER A 61 -13.434 -2.239 1.918 1.00 0.00 C ATOM 964 O SER A 61 -12.628 -2.683 2.735 1.00 0.00 O ATOM 965 CB SER A 61 -15.552 -2.654 3.184 1.00 0.00 C ATOM 966 OG SER A 61 -16.133 -1.368 3.321 1.00 0.00 O ATOM 0 H SER A 61 -14.530 -4.847 2.148 1.00 0.00 H new ATOM 0 HA SER A 61 -15.401 -2.232 1.082 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.324 -3.418 3.280 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.836 -2.821 3.989 1.00 0.00 H new ATOM 0 HG SER A 61 -16.577 -1.301 4.192 1.00 0.00 H new ATOM 972 N ILE A 62 -13.140 -1.260 1.069 1.00 0.00 N ATOM 973 CA ILE A 62 -11.822 -0.637 1.049 1.00 0.00 C ATOM 974 C ILE A 62 -11.675 0.375 2.180 1.00 0.00 C ATOM 975 O ILE A 62 -12.448 1.329 2.278 1.00 0.00 O ATOM 976 CB ILE A 62 -11.553 0.067 -0.294 1.00 0.00 C ATOM 977 CG1 ILE A 62 -11.864 -0.874 -1.460 1.00 0.00 C ATOM 978 CG2 ILE A 62 -10.110 0.544 -0.362 1.00 0.00 C ATOM 979 CD1 ILE A 62 -11.944 -0.172 -2.797 1.00 0.00 C ATOM 0 H ILE A 62 -13.796 -0.881 0.386 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.093 -1.436 1.183 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.207 0.936 -0.369 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.095 -1.645 -1.509 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.810 -1.379 -1.267 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.935 1.039 -1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -9.920 1.245 0.451 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.440 -0.310 -0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.167 -0.900 -3.577 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.732 0.580 -2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.990 0.310 -3.013 1.00 0.00 H new ATOM 991 N LEU A 63 -10.678 0.162 3.031 1.00 0.00 N ATOM 992 CA LEU A 63 -10.427 1.057 4.155 1.00 0.00 C ATOM 993 C LEU A 63 -9.639 2.285 3.709 1.00 0.00 C ATOM 994 O LEU A 63 -9.899 3.400 4.159 1.00 0.00 O ATOM 995 CB LEU A 63 -9.665 0.321 5.258 1.00 0.00 C ATOM 996 CG LEU A 63 -10.277 -0.997 5.732 1.00 0.00 C ATOM 997 CD1 LEU A 63 -9.321 -1.726 6.664 1.00 0.00 C ATOM 998 CD2 LEU A 63 -11.611 -0.749 6.421 1.00 0.00 C ATOM 0 H LEU A 63 -10.030 -0.623 2.964 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.389 1.388 4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.654 0.122 4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.576 0.987 6.117 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.453 -1.627 4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.774 -2.662 6.991 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.390 -1.938 6.137 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.112 -1.101 7.532 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.032 -1.699 6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.460 -0.099 7.283 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.298 -0.271 5.722 1.00 0.00 H new ATOM 1010 N GLY A 64 -8.675 2.071 2.818 1.00 0.00 N ATOM 1011 CA GLY A 64 -7.865 3.169 2.324 1.00 0.00 C ATOM 1012 C GLY A 64 -7.271 2.883 0.959 1.00 0.00 C ATOM 1013 O GLY A 64 -6.827 1.767 0.689 1.00 0.00 O ATOM 0 H GLY A 64 -8.441 1.157 2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.475 4.071 2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.061 3.370 3.032 1.00 0.00 H new ATOM 1017 N SER A 65 -7.265 3.893 0.095 1.00 0.00 N ATOM 1018 CA SER A 65 -6.726 3.743 -1.252 1.00 0.00 C ATOM 1019 C SER A 65 -5.601 4.743 -1.502 1.00 0.00 C ATOM 1020 O SER A 65 -5.651 5.880 -1.031 1.00 0.00 O ATOM 1021 CB SER A 65 -7.833 3.934 -2.291 1.00 0.00 C ATOM 1022 OG SER A 65 -8.949 3.108 -2.005 1.00 0.00 O ATOM 0 H SER A 65 -7.627 4.824 0.303 1.00 0.00 H new ATOM 0 HA SER A 65 -6.320 2.736 -1.344 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.144 4.978 -2.307 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.449 3.700 -3.284 1.00 0.00 H new ATOM 0 HG SER A 65 -9.007 2.394 -2.674 1.00 0.00 H new ATOM 1028 N ILE A 66 -4.588 4.310 -2.245 1.00 0.00 N ATOM 1029 CA ILE A 66 -3.451 5.167 -2.558 1.00 0.00 C ATOM 1030 C ILE A 66 -2.996 4.970 -4.000 1.00 0.00 C ATOM 1031 O ILE A 66 -2.618 3.874 -4.414 1.00 0.00 O ATOM 1032 CB ILE A 66 -2.264 4.894 -1.615 1.00 0.00 C ATOM 1033 CG1 ILE A 66 -2.681 5.112 -0.159 1.00 0.00 C ATOM 1034 CG2 ILE A 66 -1.086 5.787 -1.975 1.00 0.00 C ATOM 1035 CD1 ILE A 66 -1.905 4.264 0.824 1.00 0.00 C ATOM 0 H ILE A 66 -4.531 3.372 -2.641 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.784 6.196 -2.421 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.956 3.855 -1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.547 6.163 0.095 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.744 4.892 -0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.255 5.583 -1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.778 5.587 -3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.380 6.832 -1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.253 4.470 1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.059 3.209 0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.844 4.501 0.750 1.00 0.00 H new ATOM 1047 N PRO A 67 -3.030 6.058 -4.785 1.00 0.00 N ATOM 1048 CA PRO A 67 -2.622 6.031 -6.193 1.00 0.00 C ATOM 1049 C PRO A 67 -1.118 5.839 -6.357 1.00 0.00 C ATOM 1050 O PRO A 67 -0.348 6.798 -6.282 1.00 0.00 O ATOM 1051 CB PRO A 67 -3.045 7.408 -6.710 1.00 0.00 C ATOM 1052 CG PRO A 67 -3.056 8.280 -5.503 1.00 0.00 C ATOM 1053 CD PRO A 67 -3.469 7.397 -4.358 1.00 0.00 C ATOM 0 HA PRO A 67 -3.075 5.200 -6.733 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.348 7.780 -7.461 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.028 7.370 -7.179 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.072 8.714 -5.326 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.752 9.109 -5.627 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.991 7.698 -3.426 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.546 7.433 -4.191 1.00 0.00 H new ATOM 1061 N LEU A 68 -0.706 4.597 -6.582 1.00 0.00 N ATOM 1062 CA LEU A 68 0.707 4.279 -6.757 1.00 0.00 C ATOM 1063 C LEU A 68 1.242 4.877 -8.055 1.00 0.00 C ATOM 1064 O LEU A 68 2.415 5.241 -8.146 1.00 0.00 O ATOM 1065 CB LEU A 68 0.913 2.764 -6.757 1.00 0.00 C ATOM 1066 CG LEU A 68 0.653 2.051 -5.430 1.00 0.00 C ATOM 1067 CD1 LEU A 68 0.593 0.545 -5.635 1.00 0.00 C ATOM 1068 CD2 LEU A 68 1.725 2.410 -4.412 1.00 0.00 C ATOM 0 H LEU A 68 -1.330 3.793 -6.648 1.00 0.00 H new ATOM 0 HA LEU A 68 1.258 4.714 -5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.261 2.329 -7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.939 2.557 -7.063 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.311 2.383 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.407 0.055 -4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.212 0.304 -6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.541 0.195 -6.044 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.523 1.893 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.702 2.108 -4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.719 3.487 -4.242 1.00 0.00 H new ATOM 1080 N LEU A 69 0.374 4.976 -9.056 1.00 0.00 N ATOM 1081 CA LEU A 69 0.759 5.532 -10.349 1.00 0.00 C ATOM 1082 C LEU A 69 1.451 6.881 -10.178 1.00 0.00 C ATOM 1083 O LEU A 69 2.121 7.366 -11.089 1.00 0.00 O ATOM 1084 CB LEU A 69 -0.471 5.687 -11.245 1.00 0.00 C ATOM 1085 CG LEU A 69 -0.362 6.727 -12.361 1.00 0.00 C ATOM 1086 CD1 LEU A 69 0.619 6.265 -13.427 1.00 0.00 C ATOM 1087 CD2 LEU A 69 -1.729 6.999 -12.972 1.00 0.00 C ATOM 0 H LEU A 69 -0.600 4.679 -8.997 1.00 0.00 H new ATOM 0 HA LEU A 69 1.460 4.842 -10.819 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.690 4.720 -11.697 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.323 5.946 -10.617 1.00 0.00 H new ATOM 0 HG LEU A 69 0.012 7.656 -11.931 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.683 7.018 -14.213 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.603 6.123 -12.979 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.275 5.323 -13.854 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.632 7.741 -13.764 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.132 6.075 -13.387 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.403 7.375 -12.203 1.00 0.00 H new ATOM 1099 N SER A 70 1.285 7.480 -9.003 1.00 0.00 N ATOM 1100 CA SER A 70 1.892 8.774 -8.713 1.00 0.00 C ATOM 1101 C SER A 70 2.888 8.661 -7.563 1.00 0.00 C ATOM 1102 O SER A 70 2.990 9.557 -6.724 1.00 0.00 O ATOM 1103 CB SER A 70 0.813 9.802 -8.369 1.00 0.00 C ATOM 1104 OG SER A 70 -0.276 9.720 -9.272 1.00 0.00 O ATOM 0 H SER A 70 0.736 7.090 -8.237 1.00 0.00 H new ATOM 0 HA SER A 70 2.427 9.104 -9.603 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.459 9.636 -7.352 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.239 10.805 -8.398 1.00 0.00 H new ATOM 0 HG SER A 70 -0.953 10.386 -9.030 1.00 0.00 H new ATOM 1110 N PHE A 71 3.620 7.553 -7.530 1.00 0.00 N ATOM 1111 CA PHE A 71 4.608 7.320 -6.482 1.00 0.00 C ATOM 1112 C PHE A 71 5.847 6.631 -7.046 1.00 0.00 C ATOM 1113 O PHE A 71 5.883 6.257 -8.219 1.00 0.00 O ATOM 1114 CB PHE A 71 4.004 6.471 -5.362 1.00 0.00 C ATOM 1115 CG PHE A 71 3.227 7.272 -4.356 1.00 0.00 C ATOM 1116 CD1 PHE A 71 2.032 7.878 -4.707 1.00 0.00 C ATOM 1117 CD2 PHE A 71 3.692 7.418 -3.059 1.00 0.00 C ATOM 1118 CE1 PHE A 71 1.315 8.616 -3.784 1.00 0.00 C ATOM 1119 CE2 PHE A 71 2.980 8.154 -2.131 1.00 0.00 C ATOM 1120 CZ PHE A 71 1.789 8.753 -2.494 1.00 0.00 C ATOM 0 H PHE A 71 3.548 6.802 -8.216 1.00 0.00 H new ATOM 0 HA PHE A 71 4.905 8.287 -6.076 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.348 5.719 -5.800 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.804 5.937 -4.850 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.656 7.773 -5.714 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.622 6.951 -2.770 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.385 9.085 -4.071 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.354 8.261 -1.123 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.230 9.327 -1.770 1.00 0.00 H new ATOM 1130 N ARG A 72 6.861 6.466 -6.203 1.00 0.00 N ATOM 1131 CA ARG A 72 8.102 5.823 -6.617 1.00 0.00 C ATOM 1132 C ARG A 72 8.542 4.780 -5.594 1.00 0.00 C ATOM 1133 O ARG A 72 9.266 5.090 -4.647 1.00 0.00 O ATOM 1134 CB ARG A 72 9.205 6.868 -6.802 1.00 0.00 C ATOM 1135 CG ARG A 72 10.533 6.279 -7.248 1.00 0.00 C ATOM 1136 CD ARG A 72 11.675 7.262 -7.044 1.00 0.00 C ATOM 1137 NE ARG A 72 11.670 8.322 -8.049 1.00 0.00 N ATOM 1138 CZ ARG A 72 12.593 9.274 -8.117 1.00 0.00 C ATOM 1139 NH1 ARG A 72 13.591 9.299 -7.244 1.00 0.00 N ATOM 1140 NH2 ARG A 72 12.521 10.205 -9.060 1.00 0.00 N ATOM 0 H ARG A 72 6.847 6.769 -5.229 1.00 0.00 H new ATOM 0 HA ARG A 72 7.922 5.321 -7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.878 7.603 -7.537 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.351 7.401 -5.862 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.733 5.366 -6.688 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.474 6.001 -8.300 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.600 7.704 -6.050 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.625 6.728 -7.085 1.00 0.00 H new ATOM 0 HE ARG A 72 10.916 8.331 -8.736 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.651 8.585 -6.518 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.298 10.032 -7.299 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.756 10.190 -9.734 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.231 10.936 -9.111 1.00 0.00 H new ATOM 1154 N VAL A 73 8.098 3.542 -5.791 1.00 0.00 N ATOM 1155 CA VAL A 73 8.446 2.453 -4.886 1.00 0.00 C ATOM 1156 C VAL A 73 9.927 2.107 -4.986 1.00 0.00 C ATOM 1157 O VAL A 73 10.496 2.079 -6.077 1.00 0.00 O ATOM 1158 CB VAL A 73 7.614 1.191 -5.182 1.00 0.00 C ATOM 1159 CG1 VAL A 73 7.787 0.165 -4.072 1.00 0.00 C ATOM 1160 CG2 VAL A 73 6.147 1.550 -5.363 1.00 0.00 C ATOM 0 H VAL A 73 7.497 3.269 -6.569 1.00 0.00 H new ATOM 0 HA VAL A 73 8.224 2.797 -3.876 1.00 0.00 H new ATOM 0 HB VAL A 73 7.974 0.750 -6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.192 -0.720 -4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.838 -0.114 -3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.455 0.593 -3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.574 0.646 -5.571 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.771 2.016 -4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.043 2.246 -6.196 1.00 0.00 H new ATOM 1170 N ALA A 74 10.547 1.844 -3.840 1.00 0.00 N ATOM 1171 CA ALA A 74 11.962 1.497 -3.798 1.00 0.00 C ATOM 1172 C ALA A 74 12.340 0.894 -2.450 1.00 0.00 C ATOM 1173 O ALA A 74 11.890 1.360 -1.403 1.00 0.00 O ATOM 1174 CB ALA A 74 12.814 2.723 -4.089 1.00 0.00 C ATOM 0 H ALA A 74 10.091 1.865 -2.928 1.00 0.00 H new ATOM 0 HA ALA A 74 12.150 0.747 -4.566 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.869 2.450 -4.054 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.571 3.108 -5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.614 3.491 -3.342 1.00 0.00 H new ATOM 1180 N ALA A 75 13.169 -0.144 -2.482 1.00 0.00 N ATOM 1181 CA ALA A 75 13.608 -0.809 -1.262 1.00 0.00 C ATOM 1182 C ALA A 75 14.305 0.170 -0.323 1.00 0.00 C ATOM 1183 O ALA A 75 15.047 1.048 -0.765 1.00 0.00 O ATOM 1184 CB ALA A 75 14.532 -1.971 -1.597 1.00 0.00 C ATOM 0 H ALA A 75 13.550 -0.543 -3.340 1.00 0.00 H new ATOM 0 HA ALA A 75 12.726 -1.196 -0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.852 -2.458 -0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.001 -2.689 -2.222 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.405 -1.599 -2.133 1.00 0.00 H new ATOM 1190 N VAL A 76 14.062 0.014 0.974 1.00 0.00 N ATOM 1191 CA VAL A 76 14.667 0.885 1.975 1.00 0.00 C ATOM 1192 C VAL A 76 16.188 0.854 1.883 1.00 0.00 C ATOM 1193 O VAL A 76 16.753 0.203 1.005 1.00 0.00 O ATOM 1194 CB VAL A 76 14.241 0.482 3.400 1.00 0.00 C ATOM 1195 CG1 VAL A 76 12.803 0.899 3.665 1.00 0.00 C ATOM 1196 CG2 VAL A 76 14.418 -1.015 3.605 1.00 0.00 C ATOM 0 H VAL A 76 13.451 -0.707 1.357 1.00 0.00 H new ATOM 0 HA VAL A 76 14.314 1.896 1.770 1.00 0.00 H new ATOM 0 HB VAL A 76 14.881 1.001 4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.520 0.606 4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.713 1.980 3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.144 0.410 2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.113 -1.282 4.617 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.803 -1.556 2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.465 -1.281 3.460 1.00 0.00 H new ATOM 1206 N GLN A 77 16.845 1.561 2.796 1.00 0.00 N ATOM 1207 CA GLN A 77 18.302 1.615 2.818 1.00 0.00 C ATOM 1208 C GLN A 77 18.857 0.874 4.030 1.00 0.00 C ATOM 1209 O GLN A 77 18.150 0.609 5.003 1.00 0.00 O ATOM 1210 CB GLN A 77 18.781 3.068 2.831 1.00 0.00 C ATOM 1211 CG GLN A 77 19.021 3.642 1.444 1.00 0.00 C ATOM 1212 CD GLN A 77 20.459 3.487 0.989 1.00 0.00 C ATOM 1213 OE1 GLN A 77 20.823 2.485 0.374 1.00 0.00 O ATOM 1214 NE2 GLN A 77 21.285 4.482 1.291 1.00 0.00 N ATOM 0 H GLN A 77 16.392 2.105 3.530 1.00 0.00 H new ATOM 0 HA GLN A 77 18.671 1.127 1.916 1.00 0.00 H new ATOM 0 HB2 GLN A 77 18.041 3.681 3.346 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.704 3.132 3.407 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.363 3.146 0.731 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.755 4.699 1.441 1.00 0.00 H new ATOM 0 HE21 GLN A 77 20.940 5.294 1.803 1.00 0.00 H new ATOM 0 HE22 GLN A 77 22.265 4.434 1.011 1.00 0.00 H new ATOM 1223 N PRO A 78 20.152 0.530 3.973 1.00 0.00 N ATOM 1224 CA PRO A 78 20.830 -0.186 5.058 1.00 0.00 C ATOM 1225 C PRO A 78 21.014 0.682 6.298 1.00 0.00 C ATOM 1226 O PRO A 78 21.485 0.211 7.333 1.00 0.00 O ATOM 1227 CB PRO A 78 22.188 -0.547 4.451 1.00 0.00 C ATOM 1228 CG PRO A 78 22.414 0.477 3.393 1.00 0.00 C ATOM 1229 CD PRO A 78 21.054 0.813 2.844 1.00 0.00 C ATOM 0 HA PRO A 78 20.257 -1.049 5.398 1.00 0.00 H new ATOM 0 HB2 PRO A 78 22.977 -0.521 5.202 1.00 0.00 H new ATOM 0 HB3 PRO A 78 22.180 -1.553 4.033 1.00 0.00 H new ATOM 0 HG2 PRO A 78 22.898 1.363 3.804 1.00 0.00 H new ATOM 0 HG3 PRO A 78 23.067 0.091 2.610 1.00 0.00 H new ATOM 0 HD2 PRO A 78 20.993 1.856 2.532 1.00 0.00 H new ATOM 0 HD3 PRO A 78 20.811 0.205 1.973 1.00 0.00 H new ATOM 1237 N SER A 79 20.639 1.952 6.187 1.00 0.00 N ATOM 1238 CA SER A 79 20.766 2.887 7.299 1.00 0.00 C ATOM 1239 C SER A 79 19.482 3.690 7.483 1.00 0.00 C ATOM 1240 O SER A 79 19.515 4.848 7.900 1.00 0.00 O ATOM 1241 CB SER A 79 21.944 3.835 7.064 1.00 0.00 C ATOM 1242 OG SER A 79 22.167 4.660 8.194 1.00 0.00 O ATOM 0 H SER A 79 20.245 2.357 5.338 1.00 0.00 H new ATOM 0 HA SER A 79 20.947 2.311 8.207 1.00 0.00 H new ATOM 0 HB2 SER A 79 22.843 3.257 6.849 1.00 0.00 H new ATOM 0 HB3 SER A 79 21.747 4.456 6.190 1.00 0.00 H new ATOM 0 HG SER A 79 21.330 5.104 8.445 1.00 0.00 H new ATOM 1248 N ASP A 80 18.352 3.066 7.170 1.00 0.00 N ATOM 1249 CA ASP A 80 17.055 3.721 7.301 1.00 0.00 C ATOM 1250 C ASP A 80 16.467 3.487 8.689 1.00 0.00 C ATOM 1251 O ASP A 80 16.956 2.652 9.449 1.00 0.00 O ATOM 1252 CB ASP A 80 16.090 3.208 6.231 1.00 0.00 C ATOM 1253 CG ASP A 80 16.180 4.001 4.942 1.00 0.00 C ATOM 1254 OD1 ASP A 80 17.010 4.931 4.875 1.00 0.00 O ATOM 1255 OD2 ASP A 80 15.420 3.692 4.001 1.00 0.00 O ATOM 0 H ASP A 80 18.307 2.108 6.824 1.00 0.00 H new ATOM 0 HA ASP A 80 17.201 4.792 7.163 1.00 0.00 H new ATOM 0 HB2 ASP A 80 16.305 2.159 6.025 1.00 0.00 H new ATOM 0 HB3 ASP A 80 15.070 3.255 6.613 1.00 0.00 H new ATOM 1260 N ASN A 81 15.415 4.232 9.013 1.00 0.00 N ATOM 1261 CA ASN A 81 14.760 4.107 10.311 1.00 0.00 C ATOM 1262 C ASN A 81 13.734 2.978 10.296 1.00 0.00 C ATOM 1263 O ASN A 81 12.572 3.177 10.650 1.00 0.00 O ATOM 1264 CB ASN A 81 14.081 5.423 10.692 1.00 0.00 C ATOM 1265 CG ASN A 81 13.842 5.540 12.185 1.00 0.00 C ATOM 1266 OD1 ASN A 81 14.668 6.086 12.916 1.00 0.00 O ATOM 1267 ND2 ASN A 81 12.707 5.026 12.644 1.00 0.00 N ATOM 0 H ASN A 81 14.998 4.928 8.395 1.00 0.00 H new ATOM 0 HA ASN A 81 15.522 3.871 11.053 1.00 0.00 H new ATOM 0 HB2 ASN A 81 14.699 6.257 10.359 1.00 0.00 H new ATOM 0 HB3 ASN A 81 13.129 5.503 10.167 1.00 0.00 H new ATOM 0 HD21 ASN A 81 12.491 5.075 13.640 1.00 0.00 H new ATOM 0 HD22 ASN A 81 12.051 4.582 12.001 1.00 0.00 H new ATOM 1274 N ILE A 82 14.172 1.793 9.884 1.00 0.00 N ATOM 1275 CA ILE A 82 13.293 0.632 9.825 1.00 0.00 C ATOM 1276 C ILE A 82 13.960 -0.595 10.438 1.00 0.00 C ATOM 1277 O ILE A 82 14.829 -1.213 9.824 1.00 0.00 O ATOM 1278 CB ILE A 82 12.883 0.310 8.376 1.00 0.00 C ATOM 1279 CG1 ILE A 82 12.243 1.535 7.719 1.00 0.00 C ATOM 1280 CG2 ILE A 82 11.927 -0.874 8.347 1.00 0.00 C ATOM 1281 CD1 ILE A 82 10.869 1.863 8.262 1.00 0.00 C ATOM 0 H ILE A 82 15.131 1.612 9.586 1.00 0.00 H new ATOM 0 HA ILE A 82 12.401 0.882 10.399 1.00 0.00 H new ATOM 0 HB ILE A 82 13.777 0.045 7.812 1.00 0.00 H new ATOM 0 HG12 ILE A 82 12.896 2.396 7.861 1.00 0.00 H new ATOM 0 HG13 ILE A 82 12.169 1.364 6.645 1.00 0.00 H new ATOM 0 HG21 ILE A 82 11.646 -1.090 7.316 1.00 0.00 H new ATOM 0 HG22 ILE A 82 12.416 -1.747 8.780 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.034 -0.635 8.924 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.476 2.742 7.751 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.201 1.018 8.096 1.00 0.00 H new ATOM 0 HD13 ILE A 82 10.939 2.066 9.331 1.00 0.00 H new ATOM 1293 N SER A 83 13.545 -0.943 11.651 1.00 0.00 N ATOM 1294 CA SER A 83 14.103 -2.096 12.349 1.00 0.00 C ATOM 1295 C SER A 83 14.209 -3.297 11.414 1.00 0.00 C ATOM 1296 O SER A 83 15.238 -3.971 11.366 1.00 0.00 O ATOM 1297 CB SER A 83 13.240 -2.452 13.561 1.00 0.00 C ATOM 1298 OG SER A 83 13.631 -3.696 14.116 1.00 0.00 O ATOM 0 H SER A 83 12.824 -0.443 12.172 1.00 0.00 H new ATOM 0 HA SER A 83 15.104 -1.834 12.690 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.326 -1.670 14.315 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.192 -2.495 13.265 1.00 0.00 H new ATOM 0 HG SER A 83 13.066 -3.901 14.890 1.00 0.00 H new ATOM 1304 N ARG A 84 13.138 -3.559 10.673 1.00 0.00 N ATOM 1305 CA ARG A 84 13.108 -4.679 9.741 1.00 0.00 C ATOM 1306 C ARG A 84 14.171 -4.513 8.658 1.00 0.00 C ATOM 1307 O ARG A 84 14.856 -3.492 8.597 1.00 0.00 O ATOM 1308 CB ARG A 84 11.725 -4.800 9.099 1.00 0.00 C ATOM 1309 CG ARG A 84 10.717 -5.542 9.960 1.00 0.00 C ATOM 1310 CD ARG A 84 9.292 -5.109 9.649 1.00 0.00 C ATOM 1311 NE ARG A 84 8.311 -6.094 10.096 1.00 0.00 N ATOM 1312 CZ ARG A 84 8.042 -6.336 11.374 1.00 0.00 C ATOM 1313 NH1 ARG A 84 8.678 -5.669 12.326 1.00 0.00 N ATOM 1314 NH2 ARG A 84 7.135 -7.248 11.701 1.00 0.00 N ATOM 0 H ARG A 84 12.279 -3.010 10.700 1.00 0.00 H new ATOM 0 HA ARG A 84 13.322 -5.590 10.300 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.344 -3.801 8.887 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.821 -5.314 8.143 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.816 -6.615 9.796 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.932 -5.360 11.013 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.091 -4.152 10.131 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.186 -4.954 8.575 1.00 0.00 H new ATOM 0 HE ARG A 84 7.804 -6.625 9.388 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.376 -4.968 12.078 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.470 -5.857 13.307 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.644 -7.764 10.971 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.929 -7.433 12.683 1.00 0.00 H new ATOM 1328 N LYS A 85 14.302 -5.524 7.806 1.00 0.00 N ATOM 1329 CA LYS A 85 15.280 -5.491 6.725 1.00 0.00 C ATOM 1330 C LYS A 85 14.588 -5.434 5.367 1.00 0.00 C ATOM 1331 O LYS A 85 14.748 -4.471 4.617 1.00 0.00 O ATOM 1332 CB LYS A 85 16.189 -6.720 6.794 1.00 0.00 C ATOM 1333 CG LYS A 85 17.354 -6.561 7.756 1.00 0.00 C ATOM 1334 CD LYS A 85 18.227 -7.804 7.786 1.00 0.00 C ATOM 1335 CE LYS A 85 19.458 -7.601 8.656 1.00 0.00 C ATOM 1336 NZ LYS A 85 20.601 -7.047 7.878 1.00 0.00 N ATOM 0 H LYS A 85 13.743 -6.376 7.843 1.00 0.00 H new ATOM 0 HA LYS A 85 15.885 -4.592 6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.596 -7.584 7.094 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.577 -6.931 5.798 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.955 -5.700 7.462 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.975 -6.358 8.757 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.648 -8.647 8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.535 -8.058 6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 85 19.216 -6.926 9.476 1.00 0.00 H new ATOM 0 HE3 LYS A 85 19.749 -8.552 9.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 21.421 -6.923 8.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 20.849 -7.703 7.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.332 -6.127 7.474 1.00 0.00 H new ATOM 1350 N HIS A 86 13.816 -6.472 5.057 1.00 0.00 N ATOM 1351 CA HIS A 86 13.098 -6.538 3.789 1.00 0.00 C ATOM 1352 C HIS A 86 11.901 -5.592 3.793 1.00 0.00 C ATOM 1353 O HIS A 86 10.751 -6.028 3.855 1.00 0.00 O ATOM 1354 CB HIS A 86 12.630 -7.969 3.518 1.00 0.00 C ATOM 1355 CG HIS A 86 13.582 -9.014 4.015 1.00 0.00 C ATOM 1356 ND1 HIS A 86 14.825 -9.225 3.458 1.00 0.00 N ATOM 1357 CD2 HIS A 86 13.466 -9.908 5.025 1.00 0.00 C ATOM 1358 CE1 HIS A 86 15.433 -10.206 4.103 1.00 0.00 C ATOM 1359 NE2 HIS A 86 14.629 -10.637 5.058 1.00 0.00 N ATOM 0 H HIS A 86 13.672 -7.278 5.666 1.00 0.00 H new ATOM 0 HA HIS A 86 13.780 -6.230 2.997 1.00 0.00 H new ATOM 0 HB2 HIS A 86 11.659 -8.120 3.989 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.488 -8.099 2.445 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.617 -10.026 5.682 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.419 -10.589 3.886 1.00 0.00 H new ATOM 0 HE2 HIS A 86 14.838 -11.390 5.714 1.00 0.00 H new ATOM 1368 N THR A 87 12.179 -4.294 3.726 1.00 0.00 N ATOM 1369 CA THR A 87 11.127 -3.286 3.724 1.00 0.00 C ATOM 1370 C THR A 87 11.298 -2.315 2.561 1.00 0.00 C ATOM 1371 O THR A 87 12.418 -2.009 2.154 1.00 0.00 O ATOM 1372 CB THR A 87 11.108 -2.490 5.043 1.00 0.00 C ATOM 1373 OG1 THR A 87 10.612 -3.313 6.104 1.00 0.00 O ATOM 1374 CG2 THR A 87 10.241 -1.246 4.912 1.00 0.00 C ATOM 0 H THR A 87 13.125 -3.916 3.672 1.00 0.00 H new ATOM 0 HA THR A 87 10.181 -3.817 3.615 1.00 0.00 H new ATOM 0 HB THR A 87 12.128 -2.180 5.270 1.00 0.00 H new ATOM 0 HG1 THR A 87 10.304 -2.746 6.841 1.00 0.00 H new ATOM 0 HG21 THR A 87 10.243 -0.700 5.856 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.638 -0.608 4.123 1.00 0.00 H new ATOM 0 HG23 THR A 87 9.221 -1.538 4.664 1.00 0.00 H new ATOM 1382 N PHE A 88 10.179 -1.833 2.029 1.00 0.00 N ATOM 1383 CA PHE A 88 10.205 -0.897 0.912 1.00 0.00 C ATOM 1384 C PHE A 88 9.179 0.215 1.109 1.00 0.00 C ATOM 1385 O PHE A 88 8.060 -0.030 1.560 1.00 0.00 O ATOM 1386 CB PHE A 88 9.932 -1.631 -0.403 1.00 0.00 C ATOM 1387 CG PHE A 88 8.591 -2.306 -0.445 1.00 0.00 C ATOM 1388 CD1 PHE A 88 8.304 -3.360 0.407 1.00 0.00 C ATOM 1389 CD2 PHE A 88 7.617 -1.886 -1.336 1.00 0.00 C ATOM 1390 CE1 PHE A 88 7.071 -3.983 0.370 1.00 0.00 C ATOM 1391 CE2 PHE A 88 6.382 -2.505 -1.378 1.00 0.00 C ATOM 1392 CZ PHE A 88 6.108 -3.555 -0.523 1.00 0.00 C ATOM 0 H PHE A 88 9.243 -2.076 2.354 1.00 0.00 H new ATOM 0 HA PHE A 88 11.197 -0.448 0.871 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.998 -0.921 -1.227 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.711 -2.377 -0.562 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.052 -3.699 1.108 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.825 -1.065 -2.006 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.860 -4.804 1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.632 -2.168 -2.078 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.143 -4.040 -0.553 1.00 0.00 H new ATOM 1402 N LYS A 89 9.569 1.439 0.770 1.00 0.00 N ATOM 1403 CA LYS A 89 8.685 2.590 0.908 1.00 0.00 C ATOM 1404 C LYS A 89 8.499 3.298 -0.430 1.00 0.00 C ATOM 1405 O LYS A 89 9.418 3.353 -1.246 1.00 0.00 O ATOM 1406 CB LYS A 89 9.247 3.569 1.941 1.00 0.00 C ATOM 1407 CG LYS A 89 10.428 4.378 1.434 1.00 0.00 C ATOM 1408 CD LYS A 89 11.743 3.657 1.679 1.00 0.00 C ATOM 1409 CE LYS A 89 12.820 4.116 0.707 1.00 0.00 C ATOM 1410 NZ LYS A 89 13.448 5.395 1.139 1.00 0.00 N ATOM 0 H LYS A 89 10.493 1.659 0.397 1.00 0.00 H new ATOM 0 HA LYS A 89 7.713 2.231 1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.456 4.252 2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.552 3.013 2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.309 4.568 0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.446 5.348 1.930 1.00 0.00 H new ATOM 0 HD2 LYS A 89 12.073 3.838 2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.594 2.582 1.578 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.586 3.345 0.623 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.385 4.242 -0.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 14.176 5.674 0.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.722 6.137 1.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.886 5.268 2.074 1.00 0.00 H new ATOM 1424 N ALA A 90 7.305 3.839 -0.647 1.00 0.00 N ATOM 1425 CA ALA A 90 7.000 4.546 -1.885 1.00 0.00 C ATOM 1426 C ALA A 90 6.994 6.056 -1.668 1.00 0.00 C ATOM 1427 O ALA A 90 6.328 6.558 -0.763 1.00 0.00 O ATOM 1428 CB ALA A 90 5.661 4.086 -2.441 1.00 0.00 C ATOM 0 H ALA A 90 6.533 3.801 0.018 1.00 0.00 H new ATOM 0 HA ALA A 90 7.781 4.312 -2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.447 4.623 -3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.699 3.016 -2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.876 4.289 -1.713 1.00 0.00 H new ATOM 1434 N GLU A 91 7.740 6.773 -2.502 1.00 0.00 N ATOM 1435 CA GLU A 91 7.821 8.225 -2.399 1.00 0.00 C ATOM 1436 C GLU A 91 7.312 8.890 -3.675 1.00 0.00 C ATOM 1437 O GLU A 91 7.702 8.515 -4.781 1.00 0.00 O ATOM 1438 CB GLU A 91 9.261 8.660 -2.123 1.00 0.00 C ATOM 1439 CG GLU A 91 10.065 8.938 -3.382 1.00 0.00 C ATOM 1440 CD GLU A 91 11.556 9.017 -3.118 1.00 0.00 C ATOM 1441 OE1 GLU A 91 12.063 8.192 -2.329 1.00 0.00 O ATOM 1442 OE2 GLU A 91 12.215 9.903 -3.700 1.00 0.00 O ATOM 0 H GLU A 91 8.297 6.372 -3.257 1.00 0.00 H new ATOM 0 HA GLU A 91 7.189 8.540 -1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 91 9.248 9.558 -1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.762 7.883 -1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.871 8.153 -4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 91 9.728 9.876 -3.824 1.00 0.00 H new ATOM 1449 N HIS A 92 6.439 9.879 -3.512 1.00 0.00 N ATOM 1450 CA HIS A 92 5.877 10.598 -4.650 1.00 0.00 C ATOM 1451 C HIS A 92 6.582 11.936 -4.850 1.00 0.00 C ATOM 1452 O HIS A 92 6.460 12.561 -5.903 1.00 0.00 O ATOM 1453 CB HIS A 92 4.378 10.823 -4.448 1.00 0.00 C ATOM 1454 CG HIS A 92 3.760 11.709 -5.485 1.00 0.00 C ATOM 1455 ND1 HIS A 92 2.692 12.541 -5.225 1.00 0.00 N ATOM 1456 CD2 HIS A 92 4.068 11.891 -6.791 1.00 0.00 C ATOM 1457 CE1 HIS A 92 2.368 13.195 -6.326 1.00 0.00 C ATOM 1458 NE2 HIS A 92 3.188 12.819 -7.291 1.00 0.00 N ATOM 0 H HIS A 92 6.105 10.201 -2.603 1.00 0.00 H new ATOM 0 HA HIS A 92 6.029 9.991 -5.542 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.870 9.859 -4.456 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.214 11.261 -3.463 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.858 11.398 -7.338 1.00 0.00 H new ATOM 0 HE1 HIS A 92 1.569 13.915 -6.421 1.00 0.00 H new ATOM 0 HE2 HIS A 92 3.170 13.162 -8.251 1.00 0.00 H new ATOM 1467 N ALA A 93 7.320 12.369 -3.833 1.00 0.00 N ATOM 1468 CA ALA A 93 8.045 13.631 -3.898 1.00 0.00 C ATOM 1469 C ALA A 93 7.094 14.799 -4.137 1.00 0.00 C ATOM 1470 O ALA A 93 7.393 15.707 -4.912 1.00 0.00 O ATOM 1471 CB ALA A 93 9.102 13.577 -4.991 1.00 0.00 C ATOM 0 H ALA A 93 7.431 11.864 -2.954 1.00 0.00 H new ATOM 0 HA ALA A 93 8.538 13.788 -2.938 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.636 14.527 -5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.806 12.773 -4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.622 13.393 -5.952 1.00 0.00 H new ATOM 1477 N GLY A 94 5.946 14.769 -3.467 1.00 0.00 N ATOM 1478 CA GLY A 94 4.969 15.830 -3.621 1.00 0.00 C ATOM 1479 C GLY A 94 3.922 15.818 -2.524 1.00 0.00 C ATOM 1480 O GLY A 94 3.426 16.869 -2.118 1.00 0.00 O ATOM 0 H GLY A 94 5.675 14.028 -2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.480 16.793 -3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.478 15.730 -4.589 1.00 0.00 H new ATOM 1484 N VAL A 95 3.584 14.626 -2.044 1.00 0.00 N ATOM 1485 CA VAL A 95 2.589 14.482 -0.987 1.00 0.00 C ATOM 1486 C VAL A 95 3.202 13.863 0.264 1.00 0.00 C ATOM 1487 O VAL A 95 3.286 14.508 1.310 1.00 0.00 O ATOM 1488 CB VAL A 95 1.404 13.613 -1.448 1.00 0.00 C ATOM 1489 CG1 VAL A 95 0.239 13.742 -0.479 1.00 0.00 C ATOM 1490 CG2 VAL A 95 0.980 13.996 -2.858 1.00 0.00 C ATOM 0 H VAL A 95 3.984 13.746 -2.370 1.00 0.00 H new ATOM 0 HA VAL A 95 2.227 15.483 -0.753 1.00 0.00 H new ATOM 0 HB VAL A 95 1.723 12.571 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.589 13.121 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.552 13.415 0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.083 14.782 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.142 13.372 -3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.679 15.043 -2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.815 13.847 -3.542 1.00 0.00 H new ATOM 1500 N ARG A 96 3.629 12.610 0.150 1.00 0.00 N ATOM 1501 CA ARG A 96 4.234 11.904 1.272 1.00 0.00 C ATOM 1502 C ARG A 96 4.889 10.606 0.809 1.00 0.00 C ATOM 1503 O ARG A 96 4.867 10.275 -0.377 1.00 0.00 O ATOM 1504 CB ARG A 96 3.181 11.602 2.340 1.00 0.00 C ATOM 1505 CG ARG A 96 2.229 10.481 1.957 1.00 0.00 C ATOM 1506 CD ARG A 96 1.579 10.739 0.607 1.00 0.00 C ATOM 1507 NE ARG A 96 0.245 10.151 0.520 1.00 0.00 N ATOM 1508 CZ ARG A 96 -0.768 10.510 1.300 1.00 0.00 C ATOM 1509 NH1 ARG A 96 -0.601 11.450 2.220 1.00 0.00 N ATOM 1510 NH2 ARG A 96 -1.953 9.928 1.161 1.00 0.00 N ATOM 0 H ARG A 96 3.567 12.063 -0.709 1.00 0.00 H new ATOM 0 HA ARG A 96 5.003 12.547 1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.684 11.338 3.270 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.604 12.506 2.535 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.772 9.536 1.926 1.00 0.00 H new ATOM 0 HG3 ARG A 96 1.457 10.381 2.720 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.513 11.813 0.436 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.208 10.328 -0.183 1.00 0.00 H new ATOM 0 HE ARG A 96 0.083 9.425 -0.178 1.00 0.00 H new ATOM 0 HH11 ARG A 96 0.308 11.900 2.330 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.381 11.723 2.817 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -2.086 9.204 0.455 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.730 10.204 1.761 1.00 0.00 H new ATOM 1524 N THR A 97 5.474 9.874 1.752 1.00 0.00 N ATOM 1525 CA THR A 97 6.137 8.614 1.441 1.00 0.00 C ATOM 1526 C THR A 97 5.607 7.483 2.316 1.00 0.00 C ATOM 1527 O THR A 97 5.815 7.475 3.529 1.00 0.00 O ATOM 1528 CB THR A 97 7.662 8.721 1.627 1.00 0.00 C ATOM 1529 OG1 THR A 97 8.174 9.814 0.856 1.00 0.00 O ATOM 1530 CG2 THR A 97 8.350 7.431 1.207 1.00 0.00 C ATOM 0 H THR A 97 5.502 10.133 2.738 1.00 0.00 H new ATOM 0 HA THR A 97 5.921 8.392 0.396 1.00 0.00 H new ATOM 0 HB THR A 97 7.866 8.895 2.683 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.144 9.876 0.981 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.426 7.530 1.347 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.979 6.606 1.816 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.138 7.231 0.157 1.00 0.00 H new ATOM 1538 N TYR A 98 4.923 6.530 1.693 1.00 0.00 N ATOM 1539 CA TYR A 98 4.363 5.395 2.416 1.00 0.00 C ATOM 1540 C TYR A 98 5.399 4.287 2.579 1.00 0.00 C ATOM 1541 O TYR A 98 6.318 4.157 1.771 1.00 0.00 O ATOM 1542 CB TYR A 98 3.133 4.854 1.684 1.00 0.00 C ATOM 1543 CG TYR A 98 1.845 5.542 2.076 1.00 0.00 C ATOM 1544 CD1 TYR A 98 1.143 5.154 3.210 1.00 0.00 C ATOM 1545 CD2 TYR A 98 1.329 6.581 1.310 1.00 0.00 C ATOM 1546 CE1 TYR A 98 -0.035 5.779 3.571 1.00 0.00 C ATOM 1547 CE2 TYR A 98 0.152 7.213 1.664 1.00 0.00 C ATOM 1548 CZ TYR A 98 -0.526 6.808 2.795 1.00 0.00 C ATOM 1549 OH TYR A 98 -1.698 7.434 3.151 1.00 0.00 O ATOM 0 H TYR A 98 4.743 6.521 0.689 1.00 0.00 H new ATOM 0 HA TYR A 98 4.067 5.739 3.407 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.282 4.964 0.610 1.00 0.00 H new ATOM 0 HB3 TYR A 98 3.041 3.787 1.885 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.525 4.349 3.821 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.857 6.900 0.423 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.568 5.464 4.456 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.235 8.019 1.059 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.801 7.407 4.125 1.00 0.00 H new ATOM 1559 N PHE A 99 5.243 3.491 3.631 1.00 0.00 N ATOM 1560 CA PHE A 99 6.165 2.393 3.903 1.00 0.00 C ATOM 1561 C PHE A 99 5.427 1.058 3.933 1.00 0.00 C ATOM 1562 O PHE A 99 4.276 0.982 4.366 1.00 0.00 O ATOM 1563 CB PHE A 99 6.885 2.621 5.233 1.00 0.00 C ATOM 1564 CG PHE A 99 8.119 3.468 5.109 1.00 0.00 C ATOM 1565 CD1 PHE A 99 8.020 4.842 4.954 1.00 0.00 C ATOM 1566 CD2 PHE A 99 9.378 2.891 5.148 1.00 0.00 C ATOM 1567 CE1 PHE A 99 9.154 5.624 4.840 1.00 0.00 C ATOM 1568 CE2 PHE A 99 10.515 3.668 5.035 1.00 0.00 C ATOM 1569 CZ PHE A 99 10.403 5.036 4.880 1.00 0.00 C ATOM 0 H PHE A 99 4.487 3.585 4.310 1.00 0.00 H new ATOM 0 HA PHE A 99 6.902 2.363 3.100 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.197 3.096 5.933 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.158 1.656 5.659 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.046 5.307 4.922 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.472 1.822 5.268 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.063 6.693 4.720 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.491 3.206 5.068 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.291 5.645 4.790 1.00 0.00 H new ATOM 1579 N PHE A 100 6.096 0.008 3.471 1.00 0.00 N ATOM 1580 CA PHE A 100 5.505 -1.324 3.443 1.00 0.00 C ATOM 1581 C PHE A 100 6.569 -2.397 3.660 1.00 0.00 C ATOM 1582 O PHE A 100 7.506 -2.525 2.872 1.00 0.00 O ATOM 1583 CB PHE A 100 4.791 -1.561 2.110 1.00 0.00 C ATOM 1584 CG PHE A 100 3.867 -0.443 1.719 1.00 0.00 C ATOM 1585 CD1 PHE A 100 2.624 -0.312 2.317 1.00 0.00 C ATOM 1586 CD2 PHE A 100 4.241 0.476 0.751 1.00 0.00 C ATOM 1587 CE1 PHE A 100 1.772 0.716 1.959 1.00 0.00 C ATOM 1588 CE2 PHE A 100 3.393 1.505 0.390 1.00 0.00 C ATOM 1589 CZ PHE A 100 2.157 1.625 0.993 1.00 0.00 C ATOM 0 H PHE A 100 7.049 0.054 3.110 1.00 0.00 H new ATOM 0 HA PHE A 100 4.779 -1.388 4.253 1.00 0.00 H new ATOM 0 HB2 PHE A 100 5.537 -1.697 1.326 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.221 -2.488 2.172 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.317 -1.021 3.072 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.206 0.387 0.274 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.806 0.808 2.434 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.697 2.216 -0.364 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.492 2.428 0.710 1.00 0.00 H new ATOM 1599 N SER A 101 6.416 -3.164 4.734 1.00 0.00 N ATOM 1600 CA SER A 101 7.366 -4.222 5.059 1.00 0.00 C ATOM 1601 C SER A 101 6.927 -5.551 4.449 1.00 0.00 C ATOM 1602 O SER A 101 5.786 -5.700 4.015 1.00 0.00 O ATOM 1603 CB SER A 101 7.504 -4.365 6.576 1.00 0.00 C ATOM 1604 OG SER A 101 7.812 -5.701 6.936 1.00 0.00 O ATOM 0 H SER A 101 5.644 -3.073 5.394 1.00 0.00 H new ATOM 0 HA SER A 101 8.334 -3.950 4.638 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.286 -3.698 6.938 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.576 -4.059 7.059 1.00 0.00 H new ATOM 0 HG SER A 101 7.109 -6.052 7.522 1.00 0.00 H new ATOM 1610 N ALA A 102 7.844 -6.512 4.421 1.00 0.00 N ATOM 1611 CA ALA A 102 7.553 -7.829 3.867 1.00 0.00 C ATOM 1612 C ALA A 102 8.177 -8.932 4.716 1.00 0.00 C ATOM 1613 O ALA A 102 9.352 -8.862 5.073 1.00 0.00 O ATOM 1614 CB ALA A 102 8.051 -7.919 2.432 1.00 0.00 C ATOM 0 H ALA A 102 8.794 -6.404 4.775 1.00 0.00 H new ATOM 0 HA ALA A 102 6.472 -7.969 3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.827 -8.907 2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.555 -7.161 1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.128 -7.754 2.410 1.00 0.00 H new ATOM 1620 N GLU A 103 7.381 -9.948 5.035 1.00 0.00 N ATOM 1621 CA GLU A 103 7.856 -11.064 5.844 1.00 0.00 C ATOM 1622 C GLU A 103 9.166 -11.618 5.290 1.00 0.00 C ATOM 1623 O GLU A 103 10.153 -11.747 6.014 1.00 0.00 O ATOM 1624 CB GLU A 103 6.801 -12.172 5.894 1.00 0.00 C ATOM 1625 CG GLU A 103 5.486 -11.731 6.513 1.00 0.00 C ATOM 1626 CD GLU A 103 5.599 -11.475 8.003 1.00 0.00 C ATOM 1627 OE1 GLU A 103 5.578 -12.456 8.776 1.00 0.00 O ATOM 1628 OE2 GLU A 103 5.708 -10.295 8.397 1.00 0.00 O ATOM 0 H GLU A 103 6.406 -10.021 4.746 1.00 0.00 H new ATOM 0 HA GLU A 103 8.035 -10.697 6.855 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.614 -12.531 4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.197 -13.014 6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.142 -10.823 6.017 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.731 -12.497 6.336 1.00 0.00 H new ATOM 1635 N SER A 104 9.165 -11.946 4.002 1.00 0.00 N ATOM 1636 CA SER A 104 10.351 -12.491 3.351 1.00 0.00 C ATOM 1637 C SER A 104 10.850 -11.552 2.257 1.00 0.00 C ATOM 1638 O SER A 104 10.116 -10.705 1.747 1.00 0.00 O ATOM 1639 CB SER A 104 10.045 -13.867 2.757 1.00 0.00 C ATOM 1640 OG SER A 104 10.273 -14.894 3.707 1.00 0.00 O ATOM 0 H SER A 104 8.356 -11.844 3.389 1.00 0.00 H new ATOM 0 HA SER A 104 11.134 -12.593 4.103 1.00 0.00 H new ATOM 0 HB2 SER A 104 9.008 -13.900 2.423 1.00 0.00 H new ATOM 0 HB3 SER A 104 10.669 -14.034 1.879 1.00 0.00 H new ATOM 0 HG SER A 104 10.069 -15.764 3.304 1.00 0.00 H new ATOM 1646 N PRO A 105 12.130 -11.704 1.886 1.00 0.00 N ATOM 1647 CA PRO A 105 12.757 -10.880 0.849 1.00 0.00 C ATOM 1648 C PRO A 105 12.215 -11.188 -0.543 1.00 0.00 C ATOM 1649 O PRO A 105 12.233 -10.333 -1.428 1.00 0.00 O ATOM 1650 CB PRO A 105 14.237 -11.258 0.942 1.00 0.00 C ATOM 1651 CG PRO A 105 14.242 -12.632 1.519 1.00 0.00 C ATOM 1652 CD PRO A 105 13.063 -12.693 2.451 1.00 0.00 C ATOM 0 HA PRO A 105 12.564 -9.818 1.000 1.00 0.00 H new ATOM 0 HB2 PRO A 105 14.713 -11.239 -0.038 1.00 0.00 H new ATOM 0 HB3 PRO A 105 14.785 -10.561 1.576 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.159 -13.385 0.735 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.172 -12.828 2.053 1.00 0.00 H new ATOM 0 HD2 PRO A 105 12.624 -13.690 2.478 1.00 0.00 H new ATOM 0 HD3 PRO A 105 13.345 -12.441 3.473 1.00 0.00 H new ATOM 1660 N GLU A 106 11.734 -12.413 -0.728 1.00 0.00 N ATOM 1661 CA GLU A 106 11.187 -12.832 -2.013 1.00 0.00 C ATOM 1662 C GLU A 106 9.921 -12.049 -2.347 1.00 0.00 C ATOM 1663 O GLU A 106 9.653 -11.751 -3.511 1.00 0.00 O ATOM 1664 CB GLU A 106 10.883 -14.332 -1.998 1.00 0.00 C ATOM 1665 CG GLU A 106 12.072 -15.197 -2.381 1.00 0.00 C ATOM 1666 CD GLU A 106 12.336 -15.197 -3.875 1.00 0.00 C ATOM 1667 OE1 GLU A 106 12.140 -14.142 -4.513 1.00 0.00 O ATOM 1668 OE2 GLU A 106 12.740 -16.253 -4.405 1.00 0.00 O ATOM 0 H GLU A 106 11.712 -13.132 -0.005 1.00 0.00 H new ATOM 0 HA GLU A 106 11.933 -12.627 -2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 106 10.544 -14.616 -1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 106 10.061 -14.535 -2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.960 -14.840 -1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.895 -16.219 -2.047 1.00 0.00 H new ATOM 1675 N GLU A 107 9.147 -11.719 -1.318 1.00 0.00 N ATOM 1676 CA GLU A 107 7.908 -10.972 -1.503 1.00 0.00 C ATOM 1677 C GLU A 107 8.196 -9.492 -1.735 1.00 0.00 C ATOM 1678 O GLU A 107 7.550 -8.846 -2.560 1.00 0.00 O ATOM 1679 CB GLU A 107 6.998 -11.141 -0.285 1.00 0.00 C ATOM 1680 CG GLU A 107 6.119 -12.379 -0.349 1.00 0.00 C ATOM 1681 CD GLU A 107 5.030 -12.267 -1.399 1.00 0.00 C ATOM 1682 OE1 GLU A 107 4.013 -11.594 -1.128 1.00 0.00 O ATOM 1683 OE2 GLU A 107 5.194 -12.851 -2.490 1.00 0.00 O ATOM 0 H GLU A 107 9.356 -11.957 -0.348 1.00 0.00 H new ATOM 0 HA GLU A 107 7.402 -11.369 -2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.613 -11.188 0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.364 -10.260 -0.191 1.00 0.00 H new ATOM 0 HG2 GLU A 107 6.739 -13.249 -0.565 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.662 -12.547 0.626 1.00 0.00 H new ATOM 1690 N GLN A 108 9.168 -8.961 -1.000 1.00 0.00 N ATOM 1691 CA GLN A 108 9.540 -7.557 -1.125 1.00 0.00 C ATOM 1692 C GLN A 108 9.916 -7.219 -2.564 1.00 0.00 C ATOM 1693 O GLN A 108 9.379 -6.280 -3.151 1.00 0.00 O ATOM 1694 CB GLN A 108 10.707 -7.232 -0.191 1.00 0.00 C ATOM 1695 CG GLN A 108 11.275 -5.835 -0.390 1.00 0.00 C ATOM 1696 CD GLN A 108 12.733 -5.735 0.012 1.00 0.00 C ATOM 1697 OE1 GLN A 108 13.532 -6.625 -0.281 1.00 0.00 O ATOM 1698 NE2 GLN A 108 13.088 -4.648 0.687 1.00 0.00 N ATOM 0 H GLN A 108 9.712 -9.482 -0.312 1.00 0.00 H new ATOM 0 HA GLN A 108 8.678 -6.952 -0.843 1.00 0.00 H new ATOM 0 HB2 GLN A 108 10.375 -7.336 0.842 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.500 -7.963 -0.346 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.170 -5.550 -1.437 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.691 -5.123 0.194 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.393 -3.935 0.908 1.00 0.00 H new ATOM 0 HE22 GLN A 108 14.056 -4.526 0.984 1.00 0.00 H new ATOM 1707 N GLU A 109 10.840 -7.991 -3.126 1.00 0.00 N ATOM 1708 CA GLU A 109 11.288 -7.772 -4.497 1.00 0.00 C ATOM 1709 C GLU A 109 10.134 -7.947 -5.480 1.00 0.00 C ATOM 1710 O GLU A 109 9.915 -7.107 -6.352 1.00 0.00 O ATOM 1711 CB GLU A 109 12.422 -8.737 -4.847 1.00 0.00 C ATOM 1712 CG GLU A 109 11.939 -10.087 -5.350 1.00 0.00 C ATOM 1713 CD GLU A 109 13.079 -10.990 -5.781 1.00 0.00 C ATOM 1714 OE1 GLU A 109 13.468 -10.928 -6.967 1.00 0.00 O ATOM 1715 OE2 GLU A 109 13.580 -11.759 -4.935 1.00 0.00 O ATOM 0 H GLU A 109 11.293 -8.773 -2.654 1.00 0.00 H new ATOM 0 HA GLU A 109 11.656 -6.749 -4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 109 13.054 -8.280 -5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.044 -8.889 -3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.367 -10.580 -4.564 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.262 -9.936 -6.191 1.00 0.00 H new ATOM 1722 N ALA A 110 9.401 -9.045 -5.333 1.00 0.00 N ATOM 1723 CA ALA A 110 8.269 -9.331 -6.206 1.00 0.00 C ATOM 1724 C ALA A 110 7.259 -8.189 -6.187 1.00 0.00 C ATOM 1725 O ALA A 110 6.769 -7.764 -7.234 1.00 0.00 O ATOM 1726 CB ALA A 110 7.602 -10.635 -5.796 1.00 0.00 C ATOM 0 H ALA A 110 9.571 -9.752 -4.617 1.00 0.00 H new ATOM 0 HA ALA A 110 8.644 -9.433 -7.224 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.759 -10.836 -6.457 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.322 -11.450 -5.869 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.247 -10.555 -4.769 1.00 0.00 H new ATOM 1732 N TRP A 111 6.952 -7.697 -4.993 1.00 0.00 N ATOM 1733 CA TRP A 111 5.999 -6.604 -4.838 1.00 0.00 C ATOM 1734 C TRP A 111 6.467 -5.363 -5.592 1.00 0.00 C ATOM 1735 O TRP A 111 5.681 -4.712 -6.281 1.00 0.00 O ATOM 1736 CB TRP A 111 5.806 -6.273 -3.358 1.00 0.00 C ATOM 1737 CG TRP A 111 4.695 -7.049 -2.716 1.00 0.00 C ATOM 1738 CD1 TRP A 111 4.818 -8.027 -1.770 1.00 0.00 C ATOM 1739 CD2 TRP A 111 3.294 -6.912 -2.975 1.00 0.00 C ATOM 1740 NE1 TRP A 111 3.577 -8.506 -1.426 1.00 0.00 N ATOM 1741 CE2 TRP A 111 2.625 -7.839 -2.150 1.00 0.00 C ATOM 1742 CE3 TRP A 111 2.538 -6.097 -3.821 1.00 0.00 C ATOM 1743 CZ2 TRP A 111 1.239 -7.970 -2.150 1.00 0.00 C ATOM 1744 CZ3 TRP A 111 1.163 -6.229 -3.821 1.00 0.00 C ATOM 1745 CH2 TRP A 111 0.525 -7.159 -2.989 1.00 0.00 C ATOM 0 H TRP A 111 7.349 -8.037 -4.117 1.00 0.00 H new ATOM 0 HA TRP A 111 5.046 -6.925 -5.258 1.00 0.00 H new ATOM 0 HB2 TRP A 111 6.735 -6.473 -2.824 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.602 -5.207 -3.255 1.00 0.00 H new ATOM 0 HD1 TRP A 111 5.753 -8.373 -1.354 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.394 -9.240 -0.742 1.00 0.00 H new ATOM 0 HE3 TRP A 111 3.020 -5.376 -4.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 0.745 -8.686 -1.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 0.570 -5.605 -4.473 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.552 -7.237 -3.011 1.00 0.00 H new ATOM 1756 N ILE A 112 7.749 -5.042 -5.456 1.00 0.00 N ATOM 1757 CA ILE A 112 8.320 -3.880 -6.126 1.00 0.00 C ATOM 1758 C ILE A 112 8.163 -3.986 -7.639 1.00 0.00 C ATOM 1759 O ILE A 112 7.807 -3.014 -8.305 1.00 0.00 O ATOM 1760 CB ILE A 112 9.812 -3.712 -5.786 1.00 0.00 C ATOM 1761 CG1 ILE A 112 9.978 -3.239 -4.340 1.00 0.00 C ATOM 1762 CG2 ILE A 112 10.467 -2.732 -6.748 1.00 0.00 C ATOM 1763 CD1 ILE A 112 11.406 -3.304 -3.844 1.00 0.00 C ATOM 0 H ILE A 112 8.412 -5.570 -4.888 1.00 0.00 H new ATOM 0 HA ILE A 112 7.774 -3.008 -5.767 1.00 0.00 H new ATOM 0 HB ILE A 112 10.305 -4.679 -5.891 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.620 -2.213 -4.258 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.349 -3.849 -3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.522 -2.624 -6.495 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.375 -3.106 -7.768 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.974 -1.763 -6.672 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.449 -2.954 -2.813 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.762 -4.333 -3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 112 12.037 -2.672 -4.468 1.00 0.00 H new ATOM 1775 N GLN A 113 8.430 -5.173 -8.175 1.00 0.00 N ATOM 1776 CA GLN A 113 8.318 -5.405 -9.610 1.00 0.00 C ATOM 1777 C GLN A 113 6.966 -4.931 -10.134 1.00 0.00 C ATOM 1778 O GLN A 113 6.886 -4.287 -11.179 1.00 0.00 O ATOM 1779 CB GLN A 113 8.507 -6.891 -9.923 1.00 0.00 C ATOM 1780 CG GLN A 113 9.853 -7.439 -9.478 1.00 0.00 C ATOM 1781 CD GLN A 113 10.338 -8.577 -10.355 1.00 0.00 C ATOM 1782 OE1 GLN A 113 9.885 -9.714 -10.225 1.00 0.00 O ATOM 1783 NE2 GLN A 113 11.266 -8.275 -11.257 1.00 0.00 N ATOM 0 H GLN A 113 8.725 -5.988 -7.637 1.00 0.00 H new ATOM 0 HA GLN A 113 9.101 -4.833 -10.108 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.714 -7.460 -9.438 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.398 -7.045 -10.997 1.00 0.00 H new ATOM 0 HG2 GLN A 113 10.590 -6.636 -9.490 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.777 -7.786 -8.448 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.614 -7.319 -11.331 1.00 0.00 H new ATOM 0 HE22 GLN A 113 11.631 -8.999 -11.876 1.00 0.00 H new ATOM 1792 N ALA A 114 5.906 -5.255 -9.400 1.00 0.00 N ATOM 1793 CA ALA A 114 4.558 -4.860 -9.790 1.00 0.00 C ATOM 1794 C ALA A 114 4.274 -3.415 -9.398 1.00 0.00 C ATOM 1795 O ALA A 114 3.934 -2.588 -10.243 1.00 0.00 O ATOM 1796 CB ALA A 114 3.533 -5.792 -9.161 1.00 0.00 C ATOM 0 H ALA A 114 5.955 -5.790 -8.533 1.00 0.00 H new ATOM 0 HA ALA A 114 4.483 -4.935 -10.875 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.531 -5.486 -9.460 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.716 -6.813 -9.496 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.617 -5.746 -8.075 1.00 0.00 H new ATOM 1802 N MET A 115 4.414 -3.117 -8.110 1.00 0.00 N ATOM 1803 CA MET A 115 4.173 -1.770 -7.606 1.00 0.00 C ATOM 1804 C MET A 115 5.050 -0.754 -8.330 1.00 0.00 C ATOM 1805 O MET A 115 4.550 0.123 -9.033 1.00 0.00 O ATOM 1806 CB MET A 115 4.438 -1.711 -6.101 1.00 0.00 C ATOM 1807 CG MET A 115 3.230 -2.079 -5.256 1.00 0.00 C ATOM 1808 SD MET A 115 3.374 -1.508 -3.551 1.00 0.00 S ATOM 1809 CE MET A 115 2.907 -2.988 -2.658 1.00 0.00 C ATOM 0 H MET A 115 4.693 -3.790 -7.397 1.00 0.00 H new ATOM 0 HA MET A 115 3.129 -1.520 -7.793 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.260 -2.385 -5.858 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.763 -0.705 -5.837 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.334 -1.650 -5.704 1.00 0.00 H new ATOM 0 HG3 MET A 115 3.103 -3.162 -5.263 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.757 -2.746 -1.606 1.00 0.00 H new ATOM 0 HE2 MET A 115 1.982 -3.387 -3.074 1.00 0.00 H new ATOM 0 HE3 MET A 115 3.697 -3.733 -2.750 1.00 0.00 H new ATOM 1819 N GLY A 116 6.362 -0.878 -8.152 1.00 0.00 N ATOM 1820 CA GLY A 116 7.287 0.037 -8.794 1.00 0.00 C ATOM 1821 C GLY A 116 6.851 0.414 -10.196 1.00 0.00 C ATOM 1822 O GLY A 116 6.742 1.596 -10.522 1.00 0.00 O ATOM 0 H GLY A 116 6.800 -1.596 -7.575 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.378 0.940 -8.190 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.276 -0.420 -8.835 1.00 0.00 H new ATOM 1826 N GLU A 117 6.602 -0.593 -11.028 1.00 0.00 N ATOM 1827 CA GLU A 117 6.178 -0.359 -12.403 1.00 0.00 C ATOM 1828 C GLU A 117 4.808 0.312 -12.444 1.00 0.00 C ATOM 1829 O GLU A 117 4.635 1.357 -13.070 1.00 0.00 O ATOM 1830 CB GLU A 117 6.134 -1.678 -13.178 1.00 0.00 C ATOM 1831 CG GLU A 117 7.508 -2.220 -13.535 1.00 0.00 C ATOM 1832 CD GLU A 117 7.492 -3.072 -14.790 1.00 0.00 C ATOM 1833 OE1 GLU A 117 7.005 -4.220 -14.719 1.00 0.00 O ATOM 1834 OE2 GLU A 117 7.965 -2.591 -15.841 1.00 0.00 O ATOM 0 H GLU A 117 6.687 -1.577 -10.774 1.00 0.00 H new ATOM 0 HA GLU A 117 6.904 0.306 -12.871 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.603 -2.421 -12.584 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.561 -1.533 -14.094 1.00 0.00 H new ATOM 0 HG2 GLU A 117 8.198 -1.388 -13.674 1.00 0.00 H new ATOM 0 HG3 GLU A 117 7.888 -2.813 -12.703 1.00 0.00 H new ATOM 1841 N ALA A 118 3.837 -0.297 -11.771 1.00 0.00 N ATOM 1842 CA ALA A 118 2.483 0.241 -11.728 1.00 0.00 C ATOM 1843 C ALA A 118 2.468 1.640 -11.121 1.00 0.00 C ATOM 1844 O ALA A 118 1.473 2.358 -11.218 1.00 0.00 O ATOM 1845 CB ALA A 118 1.570 -0.688 -10.942 1.00 0.00 C ATOM 0 H ALA A 118 3.963 -1.164 -11.248 1.00 0.00 H new ATOM 0 HA ALA A 118 2.114 0.313 -12.751 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.562 -0.273 -10.918 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.548 -1.667 -11.420 1.00 0.00 H new ATOM 0 HB3 ALA A 118 1.944 -0.790 -9.923 1.00 0.00 H new ATOM 1851 N ALA A 119 3.576 2.020 -10.494 1.00 0.00 N ATOM 1852 CA ALA A 119 3.690 3.334 -9.872 1.00 0.00 C ATOM 1853 C ALA A 119 4.432 4.309 -10.780 1.00 0.00 C ATOM 1854 O ALA A 119 4.083 5.487 -10.859 1.00 0.00 O ATOM 1855 CB ALA A 119 4.393 3.222 -8.528 1.00 0.00 C ATOM 0 H ALA A 119 4.408 1.437 -10.403 1.00 0.00 H new ATOM 0 HA ALA A 119 2.684 3.722 -9.712 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.471 4.210 -8.075 1.00 0.00 H new ATOM 0 HB2 ALA A 119 3.821 2.566 -7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.391 2.809 -8.673 1.00 0.00 H new ATOM 1861 N ARG A 120 5.457 3.810 -11.464 1.00 0.00 N ATOM 1862 CA ARG A 120 6.249 4.639 -12.365 1.00 0.00 C ATOM 1863 C ARG A 120 5.490 4.914 -13.659 1.00 0.00 C ATOM 1864 O ARG A 120 4.763 4.055 -14.160 1.00 0.00 O ATOM 1865 CB ARG A 120 7.582 3.957 -12.678 1.00 0.00 C ATOM 1866 CG ARG A 120 7.506 2.972 -13.833 1.00 0.00 C ATOM 1867 CD ARG A 120 8.855 2.325 -14.103 1.00 0.00 C ATOM 1868 NE ARG A 120 9.300 1.498 -12.985 1.00 0.00 N ATOM 1869 CZ ARG A 120 10.574 1.200 -12.752 1.00 0.00 C ATOM 1870 NH1 ARG A 120 11.523 1.658 -13.556 1.00 0.00 N ATOM 1871 NH2 ARG A 120 10.900 0.442 -11.713 1.00 0.00 N ATOM 0 H ARG A 120 5.758 2.837 -11.411 1.00 0.00 H new ATOM 0 HA ARG A 120 6.442 5.590 -11.869 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.325 4.720 -12.911 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.931 3.434 -11.788 1.00 0.00 H new ATOM 0 HG2 ARG A 120 6.770 2.200 -13.607 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.162 3.487 -14.730 1.00 0.00 H new ATOM 0 HD2 ARG A 120 8.790 1.713 -15.003 1.00 0.00 H new ATOM 0 HD3 ARG A 120 9.596 3.100 -14.298 1.00 0.00 H new ATOM 0 HE ARG A 120 8.594 1.129 -12.348 1.00 0.00 H new ATOM 0 HH11 ARG A 120 11.276 2.241 -14.356 1.00 0.00 H new ATOM 0 HH12 ARG A 120 12.500 1.428 -13.375 1.00 0.00 H new ATOM 0 HH21 ARG A 120 10.173 0.087 -11.092 1.00 0.00 H new ATOM 0 HH22 ARG A 120 11.878 0.214 -11.535 1.00 0.00 H new