USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 821 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 THR OG1 : rot 89:sc= 1.16 USER MOD Set 1.2: A 92 TYR OH : rot 180:sc= 0.959 USER MOD Set 2.1: A 26 THR OG1 : rot 180:sc= -0.131 USER MOD Set 2.2: A 40 ASN : amide:sc= -0.271 K(o=-0.31,f=-3!) USER MOD Set 2.3: A 80 THR OG1 : rot 118:sc= 0.0879 USER MOD Set 3.1: A 57 TYR OH : rot 180:sc= -0.487 USER MOD Set 3.2: A 97 GLN : amide:sc= -5.43! C(o=-5.9!,f=-6.6!) USER MOD Set 3.3: A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -50:sc= 1.15 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -130:sc= -0.44 (180deg=-1.92!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0714) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.448 K(o=-0.45,f=-3.1!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 30:sc= -0.284 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 44:sc= 0.712 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0695 USER MOD Single : A 63 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.4) USER MOD Single : A 67 HIS : no HD1:sc= -6.57! C(o=-6.6!,f=-9.5!) USER MOD Single : A 77 ASN : amide:sc= -0.0162 X(o=-0.016,f=-0.016) USER MOD Single : A 81 HIS : no HD1:sc= 0.529 K(o=0.53,f=-2.1!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 84 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.9!) USER MOD Single : A 90 THR OG1 : rot 78:sc= 0.0453 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -1.64! C(o=-1.6!,f=-7.5!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 150:sc= 1.04 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 115 THR OG1 : rot -160:sc= -0.171 USER MOD Single : A 117 LYS NZ :NH3+ -120:sc= -1.86! (180deg=-3.63!) USER MOD ----------------------------------------------------------------- ATOM 178 N LEU A 16 -22.168 -6.290 -4.374 1.00 0.00 N ATOM 179 CA LEU A 16 -21.141 -6.829 -5.259 1.00 0.00 C ATOM 180 C LEU A 16 -19.807 -6.123 -5.038 1.00 0.00 C ATOM 181 O LEU A 16 -19.676 -4.926 -5.293 1.00 0.00 O ATOM 182 CB LEU A 16 -21.572 -6.685 -6.719 1.00 0.00 C ATOM 183 CG LEU A 16 -22.836 -7.443 -7.124 1.00 0.00 C ATOM 184 CD1 LEU A 16 -23.503 -6.772 -8.315 1.00 0.00 C ATOM 185 CD2 LEU A 16 -22.509 -8.895 -7.442 1.00 0.00 C ATOM 0 HA LEU A 16 -21.014 -7.886 -5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -21.724 -5.626 -6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -20.752 -7.021 -7.354 1.00 0.00 H new ATOM 0 HG LEU A 16 -23.532 -7.423 -6.285 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -24.401 -7.326 -8.589 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -23.773 -5.749 -8.052 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -22.813 -6.759 -9.159 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -23.421 -9.419 -7.728 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -21.794 -8.935 -8.264 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -22.078 -9.372 -6.562 1.00 0.00 H new ATOM 197 N VAL A 17 -18.817 -6.874 -4.564 1.00 0.00 N ATOM 198 CA VAL A 17 -17.492 -6.322 -4.312 1.00 0.00 C ATOM 199 C VAL A 17 -16.961 -5.587 -5.538 1.00 0.00 C ATOM 200 O VAL A 17 -17.322 -5.886 -6.677 1.00 0.00 O ATOM 201 CB VAL A 17 -16.491 -7.423 -3.914 1.00 0.00 C ATOM 202 CG1 VAL A 17 -16.853 -8.008 -2.557 1.00 0.00 C ATOM 203 CG2 VAL A 17 -16.445 -8.510 -4.977 1.00 0.00 C ATOM 0 H VAL A 17 -18.908 -7.866 -4.347 1.00 0.00 H new ATOM 0 HA VAL A 17 -17.594 -5.619 -3.486 1.00 0.00 H new ATOM 0 HB VAL A 17 -15.499 -6.978 -3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -16.135 -8.784 -2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -16.831 -7.221 -1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -17.853 -8.439 -2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -15.733 -9.280 -4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -17.434 -8.954 -5.087 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.135 -8.076 -5.928 1.00 0.00 H new ATOM 213 N PRO A 18 -16.081 -4.602 -5.303 1.00 0.00 N ATOM 214 CA PRO A 18 -15.480 -3.805 -6.376 1.00 0.00 C ATOM 215 C PRO A 18 -14.498 -4.612 -7.218 1.00 0.00 C ATOM 216 O PRO A 18 -13.354 -4.831 -6.818 1.00 0.00 O ATOM 217 CB PRO A 18 -14.748 -2.691 -5.622 1.00 0.00 C ATOM 218 CG PRO A 18 -14.460 -3.268 -4.280 1.00 0.00 C ATOM 219 CD PRO A 18 -15.606 -4.191 -3.971 1.00 0.00 C ATOM 0 HA PRO A 18 -16.227 -3.442 -7.082 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.830 -2.403 -6.134 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.364 -1.795 -5.544 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.513 -3.809 -4.283 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.377 -2.484 -3.528 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.284 -5.047 -3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.388 -3.685 -3.404 1.00 0.00 H new ATOM 227 N THR A 19 -14.952 -5.053 -8.387 1.00 0.00 N ATOM 228 CA THR A 19 -14.114 -5.837 -9.286 1.00 0.00 C ATOM 229 C THR A 19 -13.266 -4.934 -10.175 1.00 0.00 C ATOM 230 O THR A 19 -12.884 -5.318 -11.280 1.00 0.00 O ATOM 231 CB THR A 19 -14.961 -6.766 -10.176 1.00 0.00 C ATOM 232 OG1 THR A 19 -14.107 -7.585 -10.981 1.00 0.00 O ATOM 233 CG2 THR A 19 -15.889 -5.959 -11.071 1.00 0.00 C ATOM 0 H THR A 19 -15.896 -4.880 -8.733 1.00 0.00 H new ATOM 0 HA THR A 19 -13.460 -6.443 -8.660 1.00 0.00 H new ATOM 0 HB THR A 19 -15.567 -7.400 -9.529 1.00 0.00 H new ATOM 0 HG1 THR A 19 -13.443 -7.022 -11.431 1.00 0.00 H new ATOM 0 HG21 THR A 19 -16.477 -6.636 -11.690 1.00 0.00 H new ATOM 0 HG22 THR A 19 -16.558 -5.358 -10.454 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.298 -5.303 -11.711 1.00 0.00 H new ATOM 241 N SER A 20 -12.976 -3.733 -9.685 1.00 0.00 N ATOM 242 CA SER A 20 -12.175 -2.774 -10.437 1.00 0.00 C ATOM 243 C SER A 20 -11.141 -2.105 -9.536 1.00 0.00 C ATOM 244 O SER A 20 -11.437 -1.679 -8.419 1.00 0.00 O ATOM 245 CB SER A 20 -13.076 -1.714 -11.074 1.00 0.00 C ATOM 246 OG SER A 20 -13.757 -2.235 -12.202 1.00 0.00 O ATOM 0 H SER A 20 -13.284 -3.401 -8.771 1.00 0.00 H new ATOM 0 HA SER A 20 -11.649 -3.315 -11.224 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.800 -1.359 -10.340 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.476 -0.854 -11.372 1.00 0.00 H new ATOM 0 HG SER A 20 -14.327 -1.539 -12.590 1.00 0.00 H new ATOM 252 N PRO A 21 -9.899 -2.010 -10.032 1.00 0.00 N ATOM 253 CA PRO A 21 -8.795 -1.393 -9.289 1.00 0.00 C ATOM 254 C PRO A 21 -8.962 0.116 -9.151 1.00 0.00 C ATOM 255 O PRO A 21 -9.743 0.747 -9.864 1.00 0.00 O ATOM 256 CB PRO A 21 -7.567 -1.720 -10.143 1.00 0.00 C ATOM 257 CG PRO A 21 -8.102 -1.906 -11.521 1.00 0.00 C ATOM 258 CD PRO A 21 -9.476 -2.496 -11.356 1.00 0.00 C ATOM 0 HA PRO A 21 -8.732 -1.766 -8.267 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.835 -0.913 -10.108 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.066 -2.621 -9.788 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.147 -0.956 -12.054 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.460 -2.568 -12.103 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.154 -2.162 -12.142 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.453 -3.585 -11.396 1.00 0.00 H new ATOM 266 N PRO A 22 -8.211 0.712 -8.213 1.00 0.00 N ATOM 267 CA PRO A 22 -8.257 2.155 -7.961 1.00 0.00 C ATOM 268 C PRO A 22 -7.647 2.963 -9.101 1.00 0.00 C ATOM 269 O PRO A 22 -7.092 2.402 -10.046 1.00 0.00 O ATOM 270 CB PRO A 22 -7.426 2.319 -6.685 1.00 0.00 C ATOM 271 CG PRO A 22 -6.501 1.151 -6.683 1.00 0.00 C ATOM 272 CD PRO A 22 -7.258 0.022 -7.327 1.00 0.00 C ATOM 0 HA PRO A 22 -9.280 2.520 -7.870 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.876 3.260 -6.689 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.059 2.324 -5.798 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.589 1.375 -7.236 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.202 0.891 -5.667 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.595 -0.639 -7.886 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.770 -0.592 -6.587 1.00 0.00 H new ATOM 280 N LYS A 23 -7.752 4.284 -9.006 1.00 0.00 N ATOM 281 CA LYS A 23 -7.209 5.171 -10.029 1.00 0.00 C ATOM 282 C LYS A 23 -6.175 6.120 -9.432 1.00 0.00 C ATOM 283 O LYS A 23 -5.850 6.035 -8.248 1.00 0.00 O ATOM 284 CB LYS A 23 -8.334 5.973 -10.687 1.00 0.00 C ATOM 285 CG LYS A 23 -9.623 5.187 -10.856 1.00 0.00 C ATOM 286 CD LYS A 23 -10.538 5.831 -11.884 1.00 0.00 C ATOM 287 CE LYS A 23 -10.142 5.447 -13.301 1.00 0.00 C ATOM 288 NZ LYS A 23 -9.159 6.403 -13.881 1.00 0.00 N ATOM 0 H LYS A 23 -8.208 4.765 -8.231 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.719 4.557 -10.785 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.535 6.860 -10.087 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.998 6.319 -11.665 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.391 4.167 -11.163 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.139 5.122 -9.898 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.568 5.526 -11.698 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.502 6.915 -11.776 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.715 4.444 -13.300 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.031 5.414 -13.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.484 6.708 -14.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.072 7.232 -13.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.233 5.938 -13.969 1.00 0.00 H new ATOM 302 N ASP A 24 -5.663 7.025 -10.260 1.00 0.00 N ATOM 303 CA ASP A 24 -4.668 7.993 -9.813 1.00 0.00 C ATOM 304 C ASP A 24 -3.667 7.343 -8.863 1.00 0.00 C ATOM 305 O ASP A 24 -3.452 7.821 -7.749 1.00 0.00 O ATOM 306 CB ASP A 24 -5.349 9.177 -9.125 1.00 0.00 C ATOM 307 CG ASP A 24 -6.076 10.076 -10.105 1.00 0.00 C ATOM 308 OD1 ASP A 24 -6.088 9.752 -11.312 1.00 0.00 O ATOM 309 OD2 ASP A 24 -6.635 11.102 -9.666 1.00 0.00 O ATOM 0 H ASP A 24 -5.921 7.108 -11.243 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.129 8.354 -10.689 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.057 8.805 -8.384 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.601 9.760 -8.587 1.00 0.00 H new ATOM 314 N VAL A 25 -3.056 6.250 -9.310 1.00 0.00 N ATOM 315 CA VAL A 25 -2.078 5.535 -8.500 1.00 0.00 C ATOM 316 C VAL A 25 -0.678 6.105 -8.698 1.00 0.00 C ATOM 317 O VAL A 25 -0.073 5.943 -9.759 1.00 0.00 O ATOM 318 CB VAL A 25 -2.061 4.032 -8.838 1.00 0.00 C ATOM 319 CG1 VAL A 25 -0.789 3.382 -8.314 1.00 0.00 C ATOM 320 CG2 VAL A 25 -3.293 3.345 -8.270 1.00 0.00 C ATOM 0 H VAL A 25 -3.222 5.841 -10.229 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.375 5.663 -7.459 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.078 3.920 -9.922 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.794 2.321 -8.562 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.078 3.857 -8.773 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.738 3.502 -7.232 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.265 2.284 -8.518 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.309 3.464 -7.187 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.190 3.794 -8.698 1.00 0.00 H new ATOM 330 N THR A 26 -0.166 6.774 -7.669 1.00 0.00 N ATOM 331 CA THR A 26 1.162 7.370 -7.730 1.00 0.00 C ATOM 332 C THR A 26 2.008 6.950 -6.533 1.00 0.00 C ATOM 333 O THR A 26 1.495 6.779 -5.427 1.00 0.00 O ATOM 334 CB THR A 26 1.087 8.908 -7.777 1.00 0.00 C ATOM 335 OG1 THR A 26 0.248 9.390 -6.721 1.00 0.00 O ATOM 336 CG2 THR A 26 0.547 9.382 -9.117 1.00 0.00 C ATOM 0 H THR A 26 -0.652 6.916 -6.783 1.00 0.00 H new ATOM 0 HA THR A 26 1.629 7.009 -8.647 1.00 0.00 H new ATOM 0 HB THR A 26 2.095 9.303 -7.649 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.207 10.368 -6.757 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.503 10.471 -9.127 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.204 9.038 -9.916 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.453 8.977 -9.270 1.00 0.00 H new ATOM 344 N VAL A 27 3.307 6.787 -6.760 1.00 0.00 N ATOM 345 CA VAL A 27 4.225 6.389 -5.699 1.00 0.00 C ATOM 346 C VAL A 27 5.440 7.308 -5.650 1.00 0.00 C ATOM 347 O VAL A 27 6.293 7.275 -6.538 1.00 0.00 O ATOM 348 CB VAL A 27 4.701 4.936 -5.884 1.00 0.00 C ATOM 349 CG1 VAL A 27 5.575 4.507 -4.716 1.00 0.00 C ATOM 350 CG2 VAL A 27 3.511 4.002 -6.041 1.00 0.00 C ATOM 0 H VAL A 27 3.748 6.924 -7.669 1.00 0.00 H new ATOM 0 HA VAL A 27 3.676 6.467 -4.760 1.00 0.00 H new ATOM 0 HB VAL A 27 5.300 4.881 -6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.902 3.478 -4.865 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.446 5.159 -4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.004 4.576 -3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.866 2.979 -6.171 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.884 4.059 -5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.929 4.298 -6.914 1.00 0.00 H new ATOM 360 N VAL A 28 5.514 8.128 -4.607 1.00 0.00 N ATOM 361 CA VAL A 28 6.626 9.056 -4.441 1.00 0.00 C ATOM 362 C VAL A 28 7.439 8.722 -3.195 1.00 0.00 C ATOM 363 O VAL A 28 7.003 7.943 -2.348 1.00 0.00 O ATOM 364 CB VAL A 28 6.132 10.512 -4.343 1.00 0.00 C ATOM 365 CG1 VAL A 28 5.296 10.875 -5.561 1.00 0.00 C ATOM 366 CG2 VAL A 28 5.341 10.721 -3.061 1.00 0.00 C ATOM 0 H VAL A 28 4.817 8.169 -3.864 1.00 0.00 H new ATOM 0 HA VAL A 28 7.259 8.953 -5.323 1.00 0.00 H new ATOM 0 HB VAL A 28 7.000 11.171 -4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.956 11.907 -5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.900 10.766 -6.462 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.433 10.212 -5.620 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.000 11.755 -3.008 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.479 10.054 -3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.976 10.504 -2.202 1.00 0.00 H new ATOM 376 N SER A 29 8.623 9.318 -3.091 1.00 0.00 N ATOM 377 CA SER A 29 9.499 9.081 -1.949 1.00 0.00 C ATOM 378 C SER A 29 9.459 10.258 -0.980 1.00 0.00 C ATOM 379 O SER A 29 9.140 11.384 -1.364 1.00 0.00 O ATOM 380 CB SER A 29 10.935 8.844 -2.423 1.00 0.00 C ATOM 381 OG SER A 29 11.348 9.855 -3.325 1.00 0.00 O ATOM 0 H SER A 29 8.997 9.968 -3.783 1.00 0.00 H new ATOM 0 HA SER A 29 9.144 8.192 -1.428 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.606 8.823 -1.564 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.005 7.870 -2.907 1.00 0.00 H new ATOM 0 HG SER A 29 12.269 9.681 -3.611 1.00 0.00 H new ATOM 387 N LYS A 30 9.785 9.990 0.280 1.00 0.00 N ATOM 388 CA LYS A 30 9.788 11.026 1.306 1.00 0.00 C ATOM 389 C LYS A 30 11.166 11.670 1.425 1.00 0.00 C ATOM 390 O LYS A 30 12.188 10.998 1.291 1.00 0.00 O ATOM 391 CB LYS A 30 9.371 10.436 2.656 1.00 0.00 C ATOM 392 CG LYS A 30 9.229 11.475 3.755 1.00 0.00 C ATOM 393 CD LYS A 30 8.494 10.913 4.961 1.00 0.00 C ATOM 394 CE LYS A 30 7.847 12.017 5.783 1.00 0.00 C ATOM 395 NZ LYS A 30 8.798 12.607 6.765 1.00 0.00 N ATOM 0 H LYS A 30 10.051 9.064 0.615 1.00 0.00 H new ATOM 0 HA LYS A 30 9.071 11.794 1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.422 9.913 2.537 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.108 9.694 2.962 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.217 11.822 4.059 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.691 12.341 3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.730 10.210 4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.191 10.354 5.585 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.481 12.799 5.117 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.981 11.617 6.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.319 13.355 7.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.128 11.867 7.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.612 13.012 6.260 1.00 0.00 H new ATOM 409 N GLU A 31 11.184 12.975 1.679 1.00 0.00 N ATOM 410 CA GLU A 31 12.437 13.708 1.817 1.00 0.00 C ATOM 411 C GLU A 31 13.118 13.379 3.142 1.00 0.00 C ATOM 412 O GLU A 31 14.194 12.783 3.169 1.00 0.00 O ATOM 413 CB GLU A 31 12.186 15.214 1.720 1.00 0.00 C ATOM 414 CG GLU A 31 13.456 16.047 1.768 1.00 0.00 C ATOM 415 CD GLU A 31 13.174 17.536 1.834 1.00 0.00 C ATOM 416 OE1 GLU A 31 12.123 17.964 1.314 1.00 0.00 O ATOM 417 OE2 GLU A 31 14.005 18.272 2.407 1.00 0.00 O ATOM 0 H GLU A 31 10.346 13.545 1.793 1.00 0.00 H new ATOM 0 HA GLU A 31 13.097 13.404 1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.657 15.427 0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.531 15.518 2.537 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.046 15.754 2.636 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.060 15.834 0.886 1.00 0.00 H new ATOM 424 N GLY A 32 12.481 13.772 4.241 1.00 0.00 N ATOM 425 CA GLY A 32 13.039 13.511 5.556 1.00 0.00 C ATOM 426 C GLY A 32 13.713 12.156 5.640 1.00 0.00 C ATOM 427 O GLY A 32 14.748 12.008 6.291 1.00 0.00 O ATOM 0 H GLY A 32 11.589 14.266 4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.762 14.289 5.802 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.246 13.566 6.302 1.00 0.00 H new ATOM 431 N LYS A 33 13.125 11.162 4.983 1.00 0.00 N ATOM 432 CA LYS A 33 13.674 9.811 4.987 1.00 0.00 C ATOM 433 C LYS A 33 13.480 9.141 3.630 1.00 0.00 C ATOM 434 O LYS A 33 12.400 9.181 3.040 1.00 0.00 O ATOM 435 CB LYS A 33 13.011 8.972 6.081 1.00 0.00 C ATOM 436 CG LYS A 33 13.953 7.981 6.743 1.00 0.00 C ATOM 437 CD LYS A 33 13.872 6.612 6.089 1.00 0.00 C ATOM 438 CE LYS A 33 14.189 5.502 7.079 1.00 0.00 C ATOM 439 NZ LYS A 33 12.972 5.040 7.802 1.00 0.00 N ATOM 0 H LYS A 33 12.268 11.267 4.441 1.00 0.00 H new ATOM 0 HA LYS A 33 14.743 9.881 5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.605 9.638 6.842 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.170 8.429 5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.975 8.354 6.683 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.707 7.895 7.801 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.873 6.462 5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.569 6.565 5.253 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.639 4.661 6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.926 5.857 7.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.230 4.283 8.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.557 5.836 8.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.278 4.677 7.117 1.00 0.00 H new ATOM 453 N PRO A 34 14.549 8.510 3.122 1.00 0.00 N ATOM 454 CA PRO A 34 14.520 7.818 1.830 1.00 0.00 C ATOM 455 C PRO A 34 13.670 6.554 1.869 1.00 0.00 C ATOM 456 O PRO A 34 12.795 6.355 1.026 1.00 0.00 O ATOM 457 CB PRO A 34 15.990 7.467 1.583 1.00 0.00 C ATOM 458 CG PRO A 34 16.597 7.402 2.942 1.00 0.00 C ATOM 459 CD PRO A 34 15.868 8.423 3.771 1.00 0.00 C ATOM 0 HA PRO A 34 14.077 8.434 1.047 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.087 6.516 1.060 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.479 8.221 0.967 1.00 0.00 H new ATOM 0 HG2 PRO A 34 16.491 6.405 3.369 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.664 7.621 2.904 1.00 0.00 H new ATOM 0 HD2 PRO A 34 15.784 8.110 4.812 1.00 0.00 H new ATOM 0 HD3 PRO A 34 16.382 9.384 3.768 1.00 0.00 H new ATOM 467 N LYS A 35 13.932 5.700 2.853 1.00 0.00 N ATOM 468 CA LYS A 35 13.189 4.454 3.004 1.00 0.00 C ATOM 469 C LYS A 35 11.687 4.716 3.029 1.00 0.00 C ATOM 470 O LYS A 35 10.898 3.923 2.513 1.00 0.00 O ATOM 471 CB LYS A 35 13.614 3.735 4.286 1.00 0.00 C ATOM 472 CG LYS A 35 15.118 3.566 4.419 1.00 0.00 C ATOM 473 CD LYS A 35 15.470 2.443 5.380 1.00 0.00 C ATOM 474 CE LYS A 35 16.962 2.151 5.373 1.00 0.00 C ATOM 475 NZ LYS A 35 17.325 1.139 4.342 1.00 0.00 N ATOM 0 H LYS A 35 14.654 5.848 3.558 1.00 0.00 H new ATOM 0 HA LYS A 35 13.415 3.819 2.147 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.242 4.293 5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.143 2.753 4.315 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.550 3.357 3.440 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.560 4.498 4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.156 2.713 6.388 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.921 1.542 5.106 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.512 3.073 5.186 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.266 1.793 6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.354 1.151 4.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.034 0.194 4.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.841 1.364 3.449 1.00 0.00 H new ATOM 489 N THR A 36 11.295 5.834 3.633 1.00 0.00 N ATOM 490 CA THR A 36 9.888 6.200 3.725 1.00 0.00 C ATOM 491 C THR A 36 9.352 6.668 2.377 1.00 0.00 C ATOM 492 O THR A 36 9.961 7.508 1.713 1.00 0.00 O ATOM 493 CB THR A 36 9.663 7.312 4.767 1.00 0.00 C ATOM 494 OG1 THR A 36 10.146 6.888 6.047 1.00 0.00 O ATOM 495 CG2 THR A 36 8.188 7.669 4.869 1.00 0.00 C ATOM 0 H THR A 36 11.933 6.502 4.066 1.00 0.00 H new ATOM 0 HA THR A 36 9.349 5.305 4.037 1.00 0.00 H new ATOM 0 HB THR A 36 10.213 8.197 4.446 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.001 7.601 6.704 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.055 8.456 5.611 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.831 8.019 3.901 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.620 6.788 5.169 1.00 0.00 H new ATOM 503 N ILE A 37 8.209 6.120 1.977 1.00 0.00 N ATOM 504 CA ILE A 37 7.591 6.484 0.708 1.00 0.00 C ATOM 505 C ILE A 37 6.084 6.661 0.862 1.00 0.00 C ATOM 506 O ILE A 37 5.466 6.067 1.746 1.00 0.00 O ATOM 507 CB ILE A 37 7.864 5.423 -0.375 1.00 0.00 C ATOM 508 CG1 ILE A 37 7.178 4.105 -0.013 1.00 0.00 C ATOM 509 CG2 ILE A 37 9.361 5.218 -0.549 1.00 0.00 C ATOM 510 CD1 ILE A 37 6.785 3.278 -1.217 1.00 0.00 C ATOM 0 H ILE A 37 7.693 5.423 2.513 1.00 0.00 H new ATOM 0 HA ILE A 37 8.036 7.430 0.399 1.00 0.00 H new ATOM 0 HB ILE A 37 7.453 5.776 -1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.846 3.519 0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.287 4.319 0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.538 4.466 -1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.825 6.158 -0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.794 4.883 0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.304 2.358 -0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.092 3.846 -1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.675 3.033 -1.797 1.00 0.00 H new ATOM 522 N ILE A 38 5.499 7.480 -0.006 1.00 0.00 N ATOM 523 CA ILE A 38 4.064 7.733 0.032 1.00 0.00 C ATOM 524 C ILE A 38 3.373 7.162 -1.202 1.00 0.00 C ATOM 525 O ILE A 38 3.841 7.339 -2.327 1.00 0.00 O ATOM 526 CB ILE A 38 3.760 9.240 0.126 1.00 0.00 C ATOM 527 CG1 ILE A 38 4.469 9.850 1.336 1.00 0.00 C ATOM 528 CG2 ILE A 38 2.259 9.473 0.210 1.00 0.00 C ATOM 529 CD1 ILE A 38 5.952 10.057 1.127 1.00 0.00 C ATOM 0 H ILE A 38 5.996 7.979 -0.743 1.00 0.00 H new ATOM 0 HA ILE A 38 3.679 7.237 0.923 1.00 0.00 H new ATOM 0 HB ILE A 38 4.133 9.729 -0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.007 10.808 1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.319 9.202 2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.060 10.543 0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.778 9.069 -0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.862 8.975 1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.389 10.493 2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.428 9.098 0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.110 10.730 0.284 1.00 0.00 H new ATOM 541 N VAL A 39 2.254 6.478 -0.984 1.00 0.00 N ATOM 542 CA VAL A 39 1.496 5.883 -2.078 1.00 0.00 C ATOM 543 C VAL A 39 0.065 6.410 -2.105 1.00 0.00 C ATOM 544 O VAL A 39 -0.745 6.079 -1.240 1.00 0.00 O ATOM 545 CB VAL A 39 1.464 4.347 -1.970 1.00 0.00 C ATOM 546 CG1 VAL A 39 0.586 3.753 -3.061 1.00 0.00 C ATOM 547 CG2 VAL A 39 2.874 3.779 -2.039 1.00 0.00 C ATOM 0 H VAL A 39 1.852 6.322 -0.059 1.00 0.00 H new ATOM 0 HA VAL A 39 2.001 6.163 -3.002 1.00 0.00 H new ATOM 0 HB VAL A 39 1.035 4.076 -1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.576 2.667 -2.969 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.430 4.136 -2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.982 4.030 -4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.833 2.693 -1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.333 4.058 -2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.468 4.179 -1.217 1.00 0.00 H new ATOM 557 N ASN A 40 -0.239 7.231 -3.104 1.00 0.00 N ATOM 558 CA ASN A 40 -1.572 7.804 -3.244 1.00 0.00 C ATOM 559 C ASN A 40 -2.389 7.035 -4.278 1.00 0.00 C ATOM 560 O ASN A 40 -1.834 6.382 -5.161 1.00 0.00 O ATOM 561 CB ASN A 40 -1.478 9.278 -3.646 1.00 0.00 C ATOM 562 CG ASN A 40 -0.612 10.082 -2.696 1.00 0.00 C ATOM 563 OD1 ASN A 40 -1.003 10.352 -1.561 1.00 0.00 O ATOM 564 ND2 ASN A 40 0.572 10.468 -3.158 1.00 0.00 N ATOM 0 H ASN A 40 0.420 7.515 -3.829 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.075 7.729 -2.280 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.071 9.351 -4.655 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.479 9.709 -3.674 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.199 11.011 -2.564 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.855 10.221 -4.106 1.00 0.00 H new ATOM 571 N TRP A 41 -3.710 7.118 -4.161 1.00 0.00 N ATOM 572 CA TRP A 41 -4.603 6.430 -5.086 1.00 0.00 C ATOM 573 C TRP A 41 -6.029 6.955 -4.958 1.00 0.00 C ATOM 574 O TRP A 41 -6.304 7.833 -4.140 1.00 0.00 O ATOM 575 CB TRP A 41 -4.576 4.923 -4.827 1.00 0.00 C ATOM 576 CG TRP A 41 -5.147 4.539 -3.496 1.00 0.00 C ATOM 577 CD1 TRP A 41 -6.461 4.317 -3.200 1.00 0.00 C ATOM 578 CD2 TRP A 41 -4.420 4.332 -2.280 1.00 0.00 C ATOM 579 NE1 TRP A 41 -6.596 3.986 -1.873 1.00 0.00 N ATOM 580 CE2 TRP A 41 -5.358 3.988 -1.287 1.00 0.00 C ATOM 581 CE3 TRP A 41 -3.068 4.404 -1.933 1.00 0.00 C ATOM 582 CZ2 TRP A 41 -4.985 3.717 0.027 1.00 0.00 C ATOM 583 CZ3 TRP A 41 -2.700 4.135 -0.628 1.00 0.00 C ATOM 584 CH2 TRP A 41 -3.655 3.794 0.338 1.00 0.00 C ATOM 0 H TRP A 41 -4.186 7.654 -3.435 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.254 6.624 -6.100 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.135 4.416 -5.614 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.547 4.569 -4.889 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.275 4.391 -3.905 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.475 3.773 -1.401 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.324 4.665 -2.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.720 3.455 0.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.658 4.189 -0.349 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.335 3.588 1.349 1.00 0.00 H new ATOM 595 N GLN A 42 -6.930 6.413 -5.770 1.00 0.00 N ATOM 596 CA GLN A 42 -8.328 6.829 -5.746 1.00 0.00 C ATOM 597 C GLN A 42 -9.254 5.635 -5.952 1.00 0.00 C ATOM 598 O GLN A 42 -8.888 4.632 -6.565 1.00 0.00 O ATOM 599 CB GLN A 42 -8.587 7.883 -6.823 1.00 0.00 C ATOM 600 CG GLN A 42 -7.935 9.225 -6.531 1.00 0.00 C ATOM 601 CD GLN A 42 -8.824 10.138 -5.710 1.00 0.00 C ATOM 602 OE1 GLN A 42 -10.050 10.033 -5.752 1.00 0.00 O ATOM 603 NE2 GLN A 42 -8.208 11.041 -4.956 1.00 0.00 N ATOM 0 H GLN A 42 -6.718 5.685 -6.452 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.536 7.262 -4.768 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.220 7.511 -7.779 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.662 8.026 -6.928 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.998 9.061 -5.999 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.686 9.716 -7.472 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.189 11.093 -4.952 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.754 11.683 -4.381 1.00 0.00 H new ATOM 612 N PRO A 43 -10.485 5.743 -5.429 1.00 0.00 N ATOM 613 CA PRO A 43 -11.489 4.681 -5.543 1.00 0.00 C ATOM 614 C PRO A 43 -12.004 4.521 -6.969 1.00 0.00 C ATOM 615 O PRO A 43 -12.097 5.482 -7.733 1.00 0.00 O ATOM 616 CB PRO A 43 -12.614 5.156 -4.619 1.00 0.00 C ATOM 617 CG PRO A 43 -12.464 6.638 -4.572 1.00 0.00 C ATOM 618 CD PRO A 43 -10.990 6.909 -4.686 1.00 0.00 C ATOM 0 HA PRO A 43 -11.082 3.705 -5.276 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.592 4.869 -5.006 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.523 4.717 -3.626 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.012 7.112 -5.387 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.864 7.041 -3.642 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.793 7.840 -5.217 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.520 6.995 -3.706 1.00 0.00 H new ATOM 626 N PRO A 44 -12.347 3.278 -7.339 1.00 0.00 N ATOM 627 CA PRO A 44 -12.859 2.963 -8.676 1.00 0.00 C ATOM 628 C PRO A 44 -14.258 3.524 -8.908 1.00 0.00 C ATOM 629 O PRO A 44 -15.146 3.368 -8.070 1.00 0.00 O ATOM 630 CB PRO A 44 -12.886 1.433 -8.694 1.00 0.00 C ATOM 631 CG PRO A 44 -13.008 1.039 -7.263 1.00 0.00 C ATOM 632 CD PRO A 44 -12.262 2.085 -6.481 1.00 0.00 C ATOM 0 HA PRO A 44 -12.244 3.401 -9.462 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.725 1.059 -9.280 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.979 1.026 -9.141 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.054 0.995 -6.958 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.585 0.049 -7.093 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.717 2.258 -5.506 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.228 1.791 -6.302 1.00 0.00 H new ATOM 640 N SER A 45 -14.447 4.176 -10.051 1.00 0.00 N ATOM 641 CA SER A 45 -15.738 4.763 -10.391 1.00 0.00 C ATOM 642 C SER A 45 -16.865 3.758 -10.175 1.00 0.00 C ATOM 643 O SER A 45 -17.989 4.133 -9.843 1.00 0.00 O ATOM 644 CB SER A 45 -15.737 5.241 -11.845 1.00 0.00 C ATOM 645 OG SER A 45 -15.276 6.577 -11.942 1.00 0.00 O ATOM 0 H SER A 45 -13.723 4.311 -10.757 1.00 0.00 H new ATOM 0 HA SER A 45 -15.906 5.617 -9.735 1.00 0.00 H new ATOM 0 HB2 SER A 45 -15.102 4.589 -12.445 1.00 0.00 H new ATOM 0 HB3 SER A 45 -16.744 5.170 -12.255 1.00 0.00 H new ATOM 0 HG SER A 45 -15.283 6.858 -12.881 1.00 0.00 H new ATOM 651 N GLU A 46 -16.555 2.479 -10.365 1.00 0.00 N ATOM 652 CA GLU A 46 -17.542 1.420 -10.192 1.00 0.00 C ATOM 653 C GLU A 46 -17.620 0.983 -8.732 1.00 0.00 C ATOM 654 O GLU A 46 -17.150 -0.096 -8.370 1.00 0.00 O ATOM 655 CB GLU A 46 -17.197 0.221 -11.077 1.00 0.00 C ATOM 656 CG GLU A 46 -17.585 0.408 -12.534 1.00 0.00 C ATOM 657 CD GLU A 46 -17.653 -0.903 -13.293 1.00 0.00 C ATOM 658 OE1 GLU A 46 -18.584 -1.693 -13.032 1.00 0.00 O ATOM 659 OE2 GLU A 46 -16.774 -1.139 -14.149 1.00 0.00 O ATOM 0 H GLU A 46 -15.629 2.152 -10.639 1.00 0.00 H new ATOM 0 HA GLU A 46 -18.515 1.813 -10.488 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -16.125 0.032 -11.017 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -17.699 -0.664 -10.687 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -18.554 0.905 -12.587 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -16.862 1.066 -13.017 1.00 0.00 H new ATOM 666 N ALA A 47 -18.216 1.829 -7.898 1.00 0.00 N ATOM 667 CA ALA A 47 -18.357 1.530 -6.478 1.00 0.00 C ATOM 668 C ALA A 47 -19.608 0.700 -6.214 1.00 0.00 C ATOM 669 O ALA A 47 -20.490 1.112 -5.462 1.00 0.00 O ATOM 670 CB ALA A 47 -18.395 2.818 -5.669 1.00 0.00 C ATOM 0 H ALA A 47 -18.609 2.727 -8.181 1.00 0.00 H new ATOM 0 HA ALA A 47 -17.492 0.944 -6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -18.501 2.580 -4.611 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -17.470 3.373 -5.826 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -19.241 3.425 -5.991 1.00 0.00 H new ATOM 676 N ASN A 48 -19.679 -0.471 -6.838 1.00 0.00 N ATOM 677 CA ASN A 48 -20.824 -1.359 -6.671 1.00 0.00 C ATOM 678 C ASN A 48 -21.376 -1.273 -5.251 1.00 0.00 C ATOM 679 O ASN A 48 -22.578 -1.416 -5.032 1.00 0.00 O ATOM 680 CB ASN A 48 -20.427 -2.802 -6.990 1.00 0.00 C ATOM 681 CG ASN A 48 -20.154 -3.014 -8.466 1.00 0.00 C ATOM 682 OD1 ASN A 48 -21.029 -2.807 -9.307 1.00 0.00 O ATOM 683 ND2 ASN A 48 -18.935 -3.430 -8.788 1.00 0.00 N ATOM 0 H ASN A 48 -18.957 -0.827 -7.464 1.00 0.00 H new ATOM 0 HA ASN A 48 -21.603 -1.042 -7.364 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -19.538 -3.066 -6.417 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -21.223 -3.474 -6.670 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -18.693 -3.591 -9.766 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -18.241 -3.589 -8.058 1.00 0.00 H new ATOM 690 N GLY A 49 -20.488 -1.038 -4.290 1.00 0.00 N ATOM 691 CA GLY A 49 -20.905 -0.937 -2.904 1.00 0.00 C ATOM 692 C GLY A 49 -20.160 0.149 -2.152 1.00 0.00 C ATOM 693 O GLY A 49 -19.208 0.733 -2.671 1.00 0.00 O ATOM 0 H GLY A 49 -19.488 -0.916 -4.447 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -21.975 -0.734 -2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.743 -1.894 -2.408 1.00 0.00 H new ATOM 697 N LYS A 50 -20.594 0.422 -0.927 1.00 0.00 N ATOM 698 CA LYS A 50 -19.964 1.446 -0.101 1.00 0.00 C ATOM 699 C LYS A 50 -18.599 0.979 0.396 1.00 0.00 C ATOM 700 O LYS A 50 -18.458 -0.140 0.891 1.00 0.00 O ATOM 701 CB LYS A 50 -20.860 1.794 1.089 1.00 0.00 C ATOM 702 CG LYS A 50 -20.709 3.229 1.564 1.00 0.00 C ATOM 703 CD LYS A 50 -21.315 3.425 2.944 1.00 0.00 C ATOM 704 CE LYS A 50 -20.635 4.560 3.695 1.00 0.00 C ATOM 705 NZ LYS A 50 -21.421 4.987 4.886 1.00 0.00 N ATOM 0 H LYS A 50 -21.381 -0.052 -0.483 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.824 2.336 -0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -21.900 1.619 0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -20.631 1.121 1.915 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.653 3.496 1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -21.192 3.901 0.855 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -22.380 3.637 2.848 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.224 2.502 3.517 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -19.641 4.242 4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -20.500 5.409 3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -20.924 5.762 5.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -22.361 5.314 4.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -21.528 4.184 5.538 1.00 0.00 H new ATOM 719 N ILE A 51 -17.599 1.843 0.262 1.00 0.00 N ATOM 720 CA ILE A 51 -16.247 1.519 0.700 1.00 0.00 C ATOM 721 C ILE A 51 -16.091 1.727 2.203 1.00 0.00 C ATOM 722 O ILE A 51 -16.618 2.687 2.766 1.00 0.00 O ATOM 723 CB ILE A 51 -15.197 2.372 -0.036 1.00 0.00 C ATOM 724 CG1 ILE A 51 -15.497 2.407 -1.536 1.00 0.00 C ATOM 725 CG2 ILE A 51 -13.799 1.828 0.218 1.00 0.00 C ATOM 726 CD1 ILE A 51 -15.019 1.177 -2.276 1.00 0.00 C ATOM 0 H ILE A 51 -17.699 2.772 -0.146 1.00 0.00 H new ATOM 0 HA ILE A 51 -16.082 0.468 0.462 1.00 0.00 H new ATOM 0 HB ILE A 51 -15.244 3.391 0.349 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -16.572 2.514 -1.681 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -15.028 3.289 -1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -13.068 2.442 -0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.588 1.851 1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.737 0.801 -0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.265 1.270 -3.334 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -13.939 1.080 -2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.508 0.293 -1.866 1.00 0.00 H new ATOM 738 N THR A 52 -15.363 0.821 2.848 1.00 0.00 N ATOM 739 CA THR A 52 -15.137 0.904 4.285 1.00 0.00 C ATOM 740 C THR A 52 -13.651 1.027 4.602 1.00 0.00 C ATOM 741 O THR A 52 -13.271 1.375 5.719 1.00 0.00 O ATOM 742 CB THR A 52 -15.705 -0.327 5.015 1.00 0.00 C ATOM 743 OG1 THR A 52 -15.287 -1.526 4.353 1.00 0.00 O ATOM 744 CG2 THR A 52 -17.225 -0.273 5.065 1.00 0.00 C ATOM 0 H THR A 52 -14.920 0.021 2.397 1.00 0.00 H new ATOM 0 HA THR A 52 -15.656 1.797 4.635 1.00 0.00 H new ATOM 0 HB THR A 52 -15.323 -0.324 6.036 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.651 -2.304 4.825 1.00 0.00 H new ATOM 0 HG21 THR A 52 -17.603 -1.153 5.585 1.00 0.00 H new ATOM 0 HG22 THR A 52 -17.540 0.626 5.595 1.00 0.00 H new ATOM 0 HG23 THR A 52 -17.622 -0.253 4.050 1.00 0.00 H new ATOM 752 N GLY A 53 -12.813 0.741 3.609 1.00 0.00 N ATOM 753 CA GLY A 53 -11.377 0.827 3.803 1.00 0.00 C ATOM 754 C GLY A 53 -10.600 0.277 2.624 1.00 0.00 C ATOM 755 O GLY A 53 -11.182 -0.279 1.692 1.00 0.00 O ATOM 0 H GLY A 53 -13.103 0.452 2.675 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.097 1.868 3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.101 0.279 4.704 1.00 0.00 H new ATOM 759 N TYR A 54 -9.281 0.432 2.663 1.00 0.00 N ATOM 760 CA TYR A 54 -8.423 -0.050 1.587 1.00 0.00 C ATOM 761 C TYR A 54 -7.252 -0.856 2.144 1.00 0.00 C ATOM 762 O TYR A 54 -6.887 -0.715 3.311 1.00 0.00 O ATOM 763 CB TYR A 54 -7.900 1.125 0.759 1.00 0.00 C ATOM 764 CG TYR A 54 -8.993 2.013 0.210 1.00 0.00 C ATOM 765 CD1 TYR A 54 -9.533 3.038 0.977 1.00 0.00 C ATOM 766 CD2 TYR A 54 -9.486 1.828 -1.076 1.00 0.00 C ATOM 767 CE1 TYR A 54 -10.533 3.851 0.480 1.00 0.00 C ATOM 768 CE2 TYR A 54 -10.484 2.637 -1.582 1.00 0.00 C ATOM 769 CZ TYR A 54 -11.005 3.647 -0.800 1.00 0.00 C ATOM 770 OH TYR A 54 -12.000 4.456 -1.300 1.00 0.00 O ATOM 0 H TYR A 54 -8.783 0.887 3.428 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.017 -0.702 0.946 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.232 1.725 1.377 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.307 0.739 -0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.165 3.202 1.979 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.081 1.037 -1.691 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.943 4.642 1.090 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.855 2.480 -2.584 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.934 5.345 -0.893 1.00 0.00 H new ATOM 780 N ILE A 55 -6.669 -1.699 1.299 1.00 0.00 N ATOM 781 CA ILE A 55 -5.539 -2.526 1.704 1.00 0.00 C ATOM 782 C ILE A 55 -4.445 -2.521 0.642 1.00 0.00 C ATOM 783 O ILE A 55 -4.715 -2.732 -0.541 1.00 0.00 O ATOM 784 CB ILE A 55 -5.973 -3.979 1.973 1.00 0.00 C ATOM 785 CG1 ILE A 55 -7.040 -4.021 3.068 1.00 0.00 C ATOM 786 CG2 ILE A 55 -4.771 -4.827 2.363 1.00 0.00 C ATOM 787 CD1 ILE A 55 -7.777 -5.340 3.143 1.00 0.00 C ATOM 0 H ILE A 55 -6.960 -1.827 0.330 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.148 -2.096 2.626 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.402 -4.390 1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.569 -3.822 4.031 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.760 -3.221 2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.094 -5.851 2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.042 -4.818 1.553 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.316 -4.420 3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.518 -5.298 3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.277 -5.532 2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.068 -6.142 3.348 1.00 0.00 H new ATOM 799 N ILE A 56 -3.211 -2.283 1.072 1.00 0.00 N ATOM 800 CA ILE A 56 -2.076 -2.254 0.158 1.00 0.00 C ATOM 801 C ILE A 56 -1.167 -3.460 0.372 1.00 0.00 C ATOM 802 O ILE A 56 -0.921 -3.871 1.506 1.00 0.00 O ATOM 803 CB ILE A 56 -1.249 -0.966 0.326 1.00 0.00 C ATOM 804 CG1 ILE A 56 -2.108 0.262 0.017 1.00 0.00 C ATOM 805 CG2 ILE A 56 -0.023 -1.002 -0.573 1.00 0.00 C ATOM 806 CD1 ILE A 56 -1.442 1.571 0.377 1.00 0.00 C ATOM 0 H ILE A 56 -2.971 -2.107 2.048 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.484 -2.284 -0.852 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.914 -0.900 1.361 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.351 0.267 -1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.050 0.182 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.551 -0.085 -0.443 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.597 -1.859 -0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.337 -1.089 -1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.108 2.398 0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.224 1.587 1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.513 1.673 -0.185 1.00 0.00 H new ATOM 818 N TYR A 57 -0.670 -4.021 -0.725 1.00 0.00 N ATOM 819 CA TYR A 57 0.211 -5.181 -0.657 1.00 0.00 C ATOM 820 C TYR A 57 1.511 -4.922 -1.414 1.00 0.00 C ATOM 821 O TYR A 57 1.509 -4.752 -2.634 1.00 0.00 O ATOM 822 CB TYR A 57 -0.489 -6.414 -1.231 1.00 0.00 C ATOM 823 CG TYR A 57 -1.939 -6.532 -0.821 1.00 0.00 C ATOM 824 CD1 TYR A 57 -2.937 -5.873 -1.529 1.00 0.00 C ATOM 825 CD2 TYR A 57 -2.312 -7.301 0.274 1.00 0.00 C ATOM 826 CE1 TYR A 57 -4.264 -5.977 -1.158 1.00 0.00 C ATOM 827 CE2 TYR A 57 -3.636 -7.413 0.652 1.00 0.00 C ATOM 828 CZ TYR A 57 -4.608 -6.749 -0.067 1.00 0.00 C ATOM 829 OH TYR A 57 -5.928 -6.856 0.307 1.00 0.00 O ATOM 0 H TYR A 57 -0.862 -3.692 -1.671 1.00 0.00 H new ATOM 0 HA TYR A 57 0.451 -5.363 0.391 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.429 -6.382 -2.319 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.045 -7.308 -0.909 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.671 -5.269 -2.384 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.553 -7.821 0.840 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -5.027 -5.457 -1.718 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.908 -8.017 1.505 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.999 -7.437 1.093 1.00 0.00 H new ATOM 839 N TYR A 58 2.618 -4.894 -0.682 1.00 0.00 N ATOM 840 CA TYR A 58 3.925 -4.654 -1.282 1.00 0.00 C ATOM 841 C TYR A 58 4.903 -5.769 -0.922 1.00 0.00 C ATOM 842 O TYR A 58 4.835 -6.342 0.165 1.00 0.00 O ATOM 843 CB TYR A 58 4.481 -3.305 -0.822 1.00 0.00 C ATOM 844 CG TYR A 58 5.043 -3.328 0.582 1.00 0.00 C ATOM 845 CD1 TYR A 58 6.215 -4.016 0.871 1.00 0.00 C ATOM 846 CD2 TYR A 58 4.402 -2.661 1.618 1.00 0.00 C ATOM 847 CE1 TYR A 58 6.731 -4.041 2.152 1.00 0.00 C ATOM 848 CE2 TYR A 58 4.912 -2.679 2.902 1.00 0.00 C ATOM 849 CZ TYR A 58 6.077 -3.371 3.164 1.00 0.00 C ATOM 850 OH TYR A 58 6.588 -3.391 4.441 1.00 0.00 O ATOM 0 H TYR A 58 2.637 -5.035 0.328 1.00 0.00 H new ATOM 0 HA TYR A 58 3.802 -4.639 -2.365 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.263 -2.990 -1.512 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.689 -2.558 -0.875 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.731 -4.540 0.080 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.490 -2.119 1.417 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.642 -4.583 2.360 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.402 -2.154 3.696 1.00 0.00 H new ATOM 0 HH TYR A 58 6.008 -2.869 5.034 1.00 0.00 H new ATOM 860 N SER A 59 5.812 -6.070 -1.843 1.00 0.00 N ATOM 861 CA SER A 59 6.802 -7.118 -1.626 1.00 0.00 C ATOM 862 C SER A 59 7.869 -7.092 -2.717 1.00 0.00 C ATOM 863 O SER A 59 7.615 -6.657 -3.841 1.00 0.00 O ATOM 864 CB SER A 59 6.125 -8.490 -1.592 1.00 0.00 C ATOM 865 OG SER A 59 5.716 -8.824 -0.278 1.00 0.00 O ATOM 0 H SER A 59 5.884 -5.603 -2.747 1.00 0.00 H new ATOM 0 HA SER A 59 7.284 -6.935 -0.666 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.261 -8.489 -2.256 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.813 -9.248 -1.966 1.00 0.00 H new ATOM 0 HG SER A 59 5.297 -8.044 0.143 1.00 0.00 H new ATOM 871 N THR A 60 9.066 -7.561 -2.376 1.00 0.00 N ATOM 872 CA THR A 60 10.173 -7.590 -3.324 1.00 0.00 C ATOM 873 C THR A 60 9.880 -8.538 -4.482 1.00 0.00 C ATOM 874 O THR A 60 10.190 -8.238 -5.635 1.00 0.00 O ATOM 875 CB THR A 60 11.485 -8.021 -2.642 1.00 0.00 C ATOM 876 OG1 THR A 60 11.466 -9.431 -2.390 1.00 0.00 O ATOM 877 CG2 THR A 60 11.687 -7.270 -1.335 1.00 0.00 C ATOM 0 H THR A 60 9.293 -7.926 -1.451 1.00 0.00 H new ATOM 0 HA THR A 60 10.288 -6.576 -3.708 1.00 0.00 H new ATOM 0 HB THR A 60 12.312 -7.783 -3.311 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.304 -9.697 -1.958 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.620 -7.591 -0.871 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.730 -6.199 -1.534 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.856 -7.481 -0.662 1.00 0.00 H new ATOM 885 N ASP A 61 9.281 -9.681 -4.168 1.00 0.00 N ATOM 886 CA ASP A 61 8.944 -10.672 -5.183 1.00 0.00 C ATOM 887 C ASP A 61 7.658 -10.291 -5.909 1.00 0.00 C ATOM 888 O ASP A 61 6.685 -9.863 -5.288 1.00 0.00 O ATOM 889 CB ASP A 61 8.795 -12.055 -4.547 1.00 0.00 C ATOM 890 CG ASP A 61 8.180 -11.992 -3.162 1.00 0.00 C ATOM 891 OD1 ASP A 61 7.261 -11.171 -2.957 1.00 0.00 O ATOM 892 OD2 ASP A 61 8.618 -12.763 -2.283 1.00 0.00 O ATOM 0 H ASP A 61 9.019 -9.944 -3.218 1.00 0.00 H new ATOM 0 HA ASP A 61 9.755 -10.701 -5.910 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.175 -12.682 -5.188 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.774 -12.531 -4.486 1.00 0.00 H new ATOM 897 N VAL A 62 7.660 -10.448 -7.229 1.00 0.00 N ATOM 898 CA VAL A 62 6.494 -10.121 -8.040 1.00 0.00 C ATOM 899 C VAL A 62 5.713 -11.376 -8.412 1.00 0.00 C ATOM 900 O VAL A 62 4.707 -11.308 -9.116 1.00 0.00 O ATOM 901 CB VAL A 62 6.897 -9.380 -9.329 1.00 0.00 C ATOM 902 CG1 VAL A 62 7.731 -10.282 -10.225 1.00 0.00 C ATOM 903 CG2 VAL A 62 5.662 -8.880 -10.064 1.00 0.00 C ATOM 0 H VAL A 62 8.457 -10.800 -7.759 1.00 0.00 H new ATOM 0 HA VAL A 62 5.862 -9.469 -7.437 1.00 0.00 H new ATOM 0 HB VAL A 62 7.504 -8.517 -9.056 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.006 -9.741 -11.131 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.634 -10.586 -9.696 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.152 -11.166 -10.492 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.965 -8.359 -10.972 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.027 -9.726 -10.326 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.108 -8.196 -9.421 1.00 0.00 H new ATOM 913 N ASN A 63 6.184 -12.523 -7.932 1.00 0.00 N ATOM 914 CA ASN A 63 5.529 -13.795 -8.214 1.00 0.00 C ATOM 915 C ASN A 63 4.997 -14.429 -6.932 1.00 0.00 C ATOM 916 O ASN A 63 4.064 -15.231 -6.965 1.00 0.00 O ATOM 917 CB ASN A 63 6.504 -14.753 -8.902 1.00 0.00 C ATOM 918 CG ASN A 63 7.865 -14.772 -8.233 1.00 0.00 C ATOM 919 OD1 ASN A 63 7.995 -15.175 -7.077 1.00 0.00 O ATOM 920 ND2 ASN A 63 8.887 -14.334 -8.959 1.00 0.00 N ATOM 0 H ASN A 63 7.016 -12.597 -7.347 1.00 0.00 H new ATOM 0 HA ASN A 63 4.688 -13.602 -8.880 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.085 -15.759 -8.896 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.619 -14.462 -9.946 1.00 0.00 H new ATOM 0 HD21 ASN A 63 9.827 -14.322 -8.562 1.00 0.00 H new ATOM 0 HD22 ASN A 63 8.732 -14.009 -9.913 1.00 0.00 H new ATOM 927 N ALA A 64 5.596 -14.062 -5.804 1.00 0.00 N ATOM 928 CA ALA A 64 5.180 -14.591 -4.511 1.00 0.00 C ATOM 929 C ALA A 64 3.662 -14.569 -4.371 1.00 0.00 C ATOM 930 O ALA A 64 3.005 -13.615 -4.787 1.00 0.00 O ATOM 931 CB ALA A 64 5.828 -13.801 -3.384 1.00 0.00 C ATOM 0 H ALA A 64 6.371 -13.400 -5.759 1.00 0.00 H new ATOM 0 HA ALA A 64 5.509 -15.628 -4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.508 -14.207 -2.424 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.913 -13.874 -3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.528 -12.755 -3.453 1.00 0.00 H new ATOM 937 N GLU A 65 3.111 -15.626 -3.782 1.00 0.00 N ATOM 938 CA GLU A 65 1.669 -15.727 -3.589 1.00 0.00 C ATOM 939 C GLU A 65 1.108 -14.437 -2.999 1.00 0.00 C ATOM 940 O GLU A 65 1.621 -13.922 -2.005 1.00 0.00 O ATOM 941 CB GLU A 65 1.336 -16.907 -2.673 1.00 0.00 C ATOM 942 CG GLU A 65 1.169 -18.223 -3.414 1.00 0.00 C ATOM 943 CD GLU A 65 2.352 -18.545 -4.306 1.00 0.00 C ATOM 944 OE1 GLU A 65 3.466 -18.725 -3.771 1.00 0.00 O ATOM 945 OE2 GLU A 65 2.164 -18.618 -5.538 1.00 0.00 O ATOM 0 H GLU A 65 3.641 -16.424 -3.431 1.00 0.00 H new ATOM 0 HA GLU A 65 1.208 -15.891 -4.563 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.127 -17.015 -1.931 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.417 -16.686 -2.129 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.034 -19.028 -2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.263 -18.183 -4.019 1.00 0.00 H new ATOM 952 N ILE A 66 0.052 -13.920 -3.618 1.00 0.00 N ATOM 953 CA ILE A 66 -0.580 -12.691 -3.154 1.00 0.00 C ATOM 954 C ILE A 66 -0.605 -12.627 -1.631 1.00 0.00 C ATOM 955 O ILE A 66 -0.352 -11.578 -1.038 1.00 0.00 O ATOM 956 CB ILE A 66 -2.019 -12.562 -3.686 1.00 0.00 C ATOM 957 CG1 ILE A 66 -2.632 -11.232 -3.244 1.00 0.00 C ATOM 958 CG2 ILE A 66 -2.868 -13.729 -3.205 1.00 0.00 C ATOM 959 CD1 ILE A 66 -1.791 -10.028 -3.607 1.00 0.00 C ATOM 0 H ILE A 66 -0.384 -14.333 -4.442 1.00 0.00 H new ATOM 0 HA ILE A 66 0.016 -11.864 -3.540 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.991 -12.583 -4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.617 -11.127 -3.698 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.779 -11.250 -2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.883 -13.624 -3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.439 -14.664 -3.565 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.892 -13.737 -2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.287 -9.121 -3.263 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.814 -10.110 -3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.665 -9.985 -4.689 1.00 0.00 H new ATOM 971 N HIS A 67 -0.911 -13.757 -1.002 1.00 0.00 N ATOM 972 CA HIS A 67 -0.967 -13.831 0.454 1.00 0.00 C ATOM 973 C HIS A 67 0.413 -13.605 1.063 1.00 0.00 C ATOM 974 O HIS A 67 0.550 -12.925 2.080 1.00 0.00 O ATOM 975 CB HIS A 67 -1.517 -15.187 0.897 1.00 0.00 C ATOM 976 CG HIS A 67 -0.579 -16.326 0.640 1.00 0.00 C ATOM 977 ND1 HIS A 67 0.634 -16.462 1.282 1.00 0.00 N ATOM 978 CD2 HIS A 67 -0.683 -17.388 -0.194 1.00 0.00 C ATOM 979 CE1 HIS A 67 1.236 -17.556 0.853 1.00 0.00 C ATOM 980 NE2 HIS A 67 0.458 -18.137 -0.043 1.00 0.00 N ATOM 0 H HIS A 67 -1.124 -14.634 -1.477 1.00 0.00 H new ATOM 0 HA HIS A 67 -1.634 -13.044 0.807 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.744 -15.147 1.962 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.456 -15.376 0.378 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.509 -17.605 -0.855 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.201 -17.915 1.179 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.670 -19.001 -0.541 1.00 0.00 H new ATOM 989 N ASP A 68 1.432 -14.181 0.435 1.00 0.00 N ATOM 990 CA ASP A 68 2.803 -14.042 0.915 1.00 0.00 C ATOM 991 C ASP A 68 3.162 -12.573 1.118 1.00 0.00 C ATOM 992 O ASP A 68 3.978 -12.236 1.975 1.00 0.00 O ATOM 993 CB ASP A 68 3.778 -14.687 -0.070 1.00 0.00 C ATOM 994 CG ASP A 68 5.183 -14.791 0.491 1.00 0.00 C ATOM 995 OD1 ASP A 68 5.330 -15.248 1.644 1.00 0.00 O ATOM 996 OD2 ASP A 68 6.136 -14.417 -0.224 1.00 0.00 O ATOM 0 H ASP A 68 1.335 -14.748 -0.407 1.00 0.00 H new ATOM 0 HA ASP A 68 2.879 -14.551 1.876 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.420 -15.683 -0.332 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.800 -14.103 -0.990 1.00 0.00 H new ATOM 1001 N TRP A 69 2.548 -11.705 0.322 1.00 0.00 N ATOM 1002 CA TRP A 69 2.803 -10.272 0.414 1.00 0.00 C ATOM 1003 C TRP A 69 2.343 -9.721 1.759 1.00 0.00 C ATOM 1004 O TRP A 69 1.534 -10.340 2.450 1.00 0.00 O ATOM 1005 CB TRP A 69 2.096 -9.533 -0.723 1.00 0.00 C ATOM 1006 CG TRP A 69 2.653 -9.853 -2.077 1.00 0.00 C ATOM 1007 CD1 TRP A 69 2.905 -11.094 -2.587 1.00 0.00 C ATOM 1008 CD2 TRP A 69 3.029 -8.916 -3.093 1.00 0.00 C ATOM 1009 NE1 TRP A 69 3.415 -10.986 -3.859 1.00 0.00 N ATOM 1010 CE2 TRP A 69 3.500 -9.660 -4.192 1.00 0.00 C ATOM 1011 CE3 TRP A 69 3.011 -7.521 -3.181 1.00 0.00 C ATOM 1012 CZ2 TRP A 69 3.949 -9.054 -5.363 1.00 0.00 C ATOM 1013 CZ3 TRP A 69 3.458 -6.922 -4.343 1.00 0.00 C ATOM 1014 CH2 TRP A 69 3.921 -7.687 -5.421 1.00 0.00 C ATOM 0 H TRP A 69 1.871 -11.968 -0.394 1.00 0.00 H new ATOM 0 HA TRP A 69 3.878 -10.114 0.327 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.035 -9.784 -0.706 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.172 -8.459 -0.551 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.729 -12.024 -2.067 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.686 -11.766 -4.457 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.654 -6.922 -2.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.306 -9.642 -6.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.450 -5.845 -4.421 1.00 0.00 H new ATOM 0 HH2 TRP A 69 4.263 -7.188 -6.316 1.00 0.00 H new ATOM 1025 N VAL A 70 2.862 -8.554 2.125 1.00 0.00 N ATOM 1026 CA VAL A 70 2.503 -7.919 3.387 1.00 0.00 C ATOM 1027 C VAL A 70 1.155 -7.213 3.284 1.00 0.00 C ATOM 1028 O VAL A 70 0.818 -6.649 2.243 1.00 0.00 O ATOM 1029 CB VAL A 70 3.571 -6.901 3.828 1.00 0.00 C ATOM 1030 CG1 VAL A 70 3.437 -5.610 3.034 1.00 0.00 C ATOM 1031 CG2 VAL A 70 3.466 -6.631 5.321 1.00 0.00 C ATOM 0 H VAL A 70 3.533 -8.029 1.565 1.00 0.00 H new ATOM 0 HA VAL A 70 2.439 -8.712 4.132 1.00 0.00 H new ATOM 0 HB VAL A 70 4.556 -7.323 3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.200 -4.902 3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.566 -5.821 1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.449 -5.181 3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.228 -5.909 5.615 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.479 -6.229 5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.615 -7.561 5.870 1.00 0.00 H new ATOM 1041 N ILE A 71 0.390 -7.249 4.369 1.00 0.00 N ATOM 1042 CA ILE A 71 -0.920 -6.611 4.400 1.00 0.00 C ATOM 1043 C ILE A 71 -0.859 -5.263 5.111 1.00 0.00 C ATOM 1044 O ILE A 71 -0.749 -5.201 6.335 1.00 0.00 O ATOM 1045 CB ILE A 71 -1.963 -7.502 5.102 1.00 0.00 C ATOM 1046 CG1 ILE A 71 -2.077 -8.850 4.389 1.00 0.00 C ATOM 1047 CG2 ILE A 71 -3.314 -6.803 5.144 1.00 0.00 C ATOM 1048 CD1 ILE A 71 -2.920 -9.860 5.136 1.00 0.00 C ATOM 0 H ILE A 71 0.654 -7.713 5.238 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.222 -6.459 3.364 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.636 -7.681 6.126 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.505 -8.693 3.399 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.078 -9.260 4.243 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.040 -7.445 5.643 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.222 -5.865 5.692 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.649 -6.598 4.127 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.957 -10.792 4.572 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.481 -10.046 6.116 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.931 -9.470 5.259 1.00 0.00 H new ATOM 1060 N GLU A 72 -0.932 -4.187 4.334 1.00 0.00 N ATOM 1061 CA GLU A 72 -0.885 -2.840 4.890 1.00 0.00 C ATOM 1062 C GLU A 72 -2.256 -2.174 4.817 1.00 0.00 C ATOM 1063 O GLU A 72 -2.566 -1.434 3.882 1.00 0.00 O ATOM 1064 CB GLU A 72 0.147 -1.992 4.144 1.00 0.00 C ATOM 1065 CG GLU A 72 1.547 -2.084 4.727 1.00 0.00 C ATOM 1066 CD GLU A 72 1.563 -1.913 6.234 1.00 0.00 C ATOM 1067 OE1 GLU A 72 0.899 -0.979 6.732 1.00 0.00 O ATOM 1068 OE2 GLU A 72 2.240 -2.711 6.915 1.00 0.00 O ATOM 0 H GLU A 72 -1.024 -4.222 3.319 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.592 -2.916 5.937 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.176 -2.305 3.100 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.174 -0.951 4.155 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.981 -3.050 4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.177 -1.320 4.272 1.00 0.00 H new ATOM 1075 N PRO A 73 -3.098 -2.442 5.825 1.00 0.00 N ATOM 1076 CA PRO A 73 -4.450 -1.878 5.899 1.00 0.00 C ATOM 1077 C PRO A 73 -4.439 -0.379 6.177 1.00 0.00 C ATOM 1078 O PRO A 73 -3.527 0.136 6.824 1.00 0.00 O ATOM 1079 CB PRO A 73 -5.086 -2.634 7.069 1.00 0.00 C ATOM 1080 CG PRO A 73 -3.936 -3.055 7.918 1.00 0.00 C ATOM 1081 CD PRO A 73 -2.796 -3.314 6.972 1.00 0.00 C ATOM 0 HA PRO A 73 -4.989 -1.988 4.958 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.775 -1.997 7.624 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.657 -3.495 6.721 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.677 -2.278 8.638 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.180 -3.950 8.490 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.835 -3.066 7.423 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.749 -4.362 6.678 1.00 0.00 H new ATOM 1089 N VAL A 74 -5.458 0.317 5.684 1.00 0.00 N ATOM 1090 CA VAL A 74 -5.566 1.758 5.880 1.00 0.00 C ATOM 1091 C VAL A 74 -6.839 2.115 6.639 1.00 0.00 C ATOM 1092 O VAL A 74 -7.946 1.802 6.199 1.00 0.00 O ATOM 1093 CB VAL A 74 -5.555 2.510 4.536 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -5.611 4.013 4.765 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -4.325 2.132 3.725 1.00 0.00 C ATOM 0 H VAL A 74 -6.221 -0.094 5.146 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.699 2.064 6.466 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.440 2.220 3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.602 4.528 3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.524 4.265 5.304 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.746 4.324 5.351 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.333 2.672 2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.426 2.393 4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.333 1.060 3.531 1.00 0.00 H new ATOM 1105 N VAL A 75 -6.675 2.772 7.783 1.00 0.00 N ATOM 1106 CA VAL A 75 -7.812 3.174 8.604 1.00 0.00 C ATOM 1107 C VAL A 75 -8.517 4.388 8.010 1.00 0.00 C ATOM 1108 O VAL A 75 -7.918 5.165 7.268 1.00 0.00 O ATOM 1109 CB VAL A 75 -7.376 3.501 10.044 1.00 0.00 C ATOM 1110 CG1 VAL A 75 -6.641 2.321 10.661 1.00 0.00 C ATOM 1111 CG2 VAL A 75 -6.509 4.751 10.067 1.00 0.00 C ATOM 0 H VAL A 75 -5.766 3.037 8.162 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.502 2.331 8.624 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.268 3.694 10.640 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.341 2.571 11.679 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.299 1.452 10.680 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.756 2.093 10.067 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.210 4.967 11.093 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.621 4.589 9.456 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.074 5.593 9.669 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.795 4.545 8.342 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.561 5.667 7.833 1.00 0.00 C ATOM 1123 C GLY A 76 -10.580 5.717 6.318 1.00 0.00 C ATOM 1124 O GLY A 76 -9.841 4.989 5.657 1.00 0.00 O ATOM 0 H GLY A 76 -10.313 3.915 8.954 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.584 5.603 8.204 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.140 6.595 8.219 1.00 0.00 H new ATOM 1128 N ASN A 77 -11.430 6.576 5.766 1.00 0.00 N ATOM 1129 CA ASN A 77 -11.545 6.716 4.319 1.00 0.00 C ATOM 1130 C ASN A 77 -10.334 7.445 3.745 1.00 0.00 C ATOM 1131 O ASN A 77 -10.451 8.559 3.236 1.00 0.00 O ATOM 1132 CB ASN A 77 -12.826 7.470 3.958 1.00 0.00 C ATOM 1133 CG ASN A 77 -14.050 6.890 4.640 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -14.566 5.849 4.233 1.00 0.00 O ATOM 1135 ND2 ASN A 77 -14.521 7.563 5.684 1.00 0.00 N ATOM 0 H ASN A 77 -12.050 7.186 6.299 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.585 5.717 3.885 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.719 8.518 4.239 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.968 7.443 2.878 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -15.342 7.221 6.183 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -14.061 8.422 5.987 1.00 0.00 H new ATOM 1142 N ARG A 78 -9.171 6.808 3.832 1.00 0.00 N ATOM 1143 CA ARG A 78 -7.938 7.395 3.322 1.00 0.00 C ATOM 1144 C ARG A 78 -7.498 6.705 2.034 1.00 0.00 C ATOM 1145 O ARG A 78 -7.831 5.543 1.796 1.00 0.00 O ATOM 1146 CB ARG A 78 -6.829 7.296 4.371 1.00 0.00 C ATOM 1147 CG ARG A 78 -5.817 8.428 4.297 1.00 0.00 C ATOM 1148 CD ARG A 78 -4.671 8.217 5.273 1.00 0.00 C ATOM 1149 NE ARG A 78 -3.821 9.399 5.384 1.00 0.00 N ATOM 1150 CZ ARG A 78 -2.750 9.463 6.167 1.00 0.00 C ATOM 1151 NH1 ARG A 78 -2.400 8.418 6.904 1.00 0.00 N ATOM 1152 NH2 ARG A 78 -2.026 10.574 6.214 1.00 0.00 N ATOM 0 H ARG A 78 -9.057 5.885 4.251 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.129 8.446 3.103 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.279 7.287 5.364 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.308 6.346 4.248 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.424 8.500 3.283 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.312 9.374 4.515 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.073 7.966 6.255 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.070 7.368 4.948 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.063 10.221 4.830 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.954 7.562 6.871 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.577 8.470 7.504 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.292 11.380 5.648 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.204 10.622 6.816 1.00 0.00 H new ATOM 1166 N LEU A 79 -6.749 7.426 1.208 1.00 0.00 N ATOM 1167 CA LEU A 79 -6.264 6.884 -0.056 1.00 0.00 C ATOM 1168 C LEU A 79 -4.745 6.995 -0.149 1.00 0.00 C ATOM 1169 O LEU A 79 -4.155 6.728 -1.197 1.00 0.00 O ATOM 1170 CB LEU A 79 -6.913 7.616 -1.231 1.00 0.00 C ATOM 1171 CG LEU A 79 -8.402 7.934 -1.084 1.00 0.00 C ATOM 1172 CD1 LEU A 79 -8.789 9.102 -1.977 1.00 0.00 C ATOM 1173 CD2 LEU A 79 -9.243 6.709 -1.411 1.00 0.00 C ATOM 0 H LEU A 79 -6.464 8.388 1.391 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.536 5.829 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.376 8.551 -1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.778 7.013 -2.129 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.593 8.216 -0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.852 9.314 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.210 9.982 -1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.583 8.849 -3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.300 6.953 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.047 6.397 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.985 5.898 -0.730 1.00 0.00 H new ATOM 1185 N THR A 80 -4.117 7.390 0.954 1.00 0.00 N ATOM 1186 CA THR A 80 -2.668 7.535 0.998 1.00 0.00 C ATOM 1187 C THR A 80 -2.083 6.846 2.225 1.00 0.00 C ATOM 1188 O THR A 80 -2.635 6.936 3.322 1.00 0.00 O ATOM 1189 CB THR A 80 -2.252 9.019 1.009 1.00 0.00 C ATOM 1190 OG1 THR A 80 -0.841 9.131 1.226 1.00 0.00 O ATOM 1191 CG2 THR A 80 -3.000 9.782 2.092 1.00 0.00 C ATOM 0 H THR A 80 -4.590 7.615 1.829 1.00 0.00 H new ATOM 0 HA THR A 80 -2.276 7.062 0.098 1.00 0.00 H new ATOM 0 HB THR A 80 -2.505 9.452 0.041 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.423 9.556 0.448 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.690 10.827 2.081 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.072 9.719 1.907 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.774 9.347 3.066 1.00 0.00 H new ATOM 1199 N HIS A 81 -0.961 6.159 2.034 1.00 0.00 N ATOM 1200 CA HIS A 81 -0.300 5.456 3.127 1.00 0.00 C ATOM 1201 C HIS A 81 1.198 5.749 3.135 1.00 0.00 C ATOM 1202 O HIS A 81 1.803 5.959 2.084 1.00 0.00 O ATOM 1203 CB HIS A 81 -0.536 3.950 3.009 1.00 0.00 C ATOM 1204 CG HIS A 81 -0.131 3.183 4.230 1.00 0.00 C ATOM 1205 ND1 HIS A 81 -0.345 3.641 5.513 1.00 0.00 N ATOM 1206 CD2 HIS A 81 0.478 1.980 4.359 1.00 0.00 C ATOM 1207 CE1 HIS A 81 0.115 2.755 6.378 1.00 0.00 C ATOM 1208 NE2 HIS A 81 0.619 1.737 5.703 1.00 0.00 N ATOM 0 H HIS A 81 -0.491 6.074 1.133 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.727 5.811 4.065 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.593 3.771 2.811 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.018 3.570 2.151 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.794 1.332 3.554 1.00 0.00 H new ATOM 0 HE1 HIS A 81 0.084 2.847 7.454 1.00 0.00 H new ATOM 0 HE2 HIS A 81 1.044 0.906 6.114 1.00 0.00 H new ATOM 1217 N GLN A 82 1.787 5.761 4.326 1.00 0.00 N ATOM 1218 CA GLN A 82 3.213 6.030 4.469 1.00 0.00 C ATOM 1219 C GLN A 82 3.957 4.785 4.940 1.00 0.00 C ATOM 1220 O GLN A 82 3.987 4.482 6.134 1.00 0.00 O ATOM 1221 CB GLN A 82 3.441 7.178 5.455 1.00 0.00 C ATOM 1222 CG GLN A 82 3.284 8.555 4.831 1.00 0.00 C ATOM 1223 CD GLN A 82 2.935 9.621 5.851 1.00 0.00 C ATOM 1224 OE1 GLN A 82 3.477 9.640 6.956 1.00 0.00 O ATOM 1225 NE2 GLN A 82 2.025 10.516 5.484 1.00 0.00 N ATOM 0 H GLN A 82 1.300 5.588 5.205 1.00 0.00 H new ATOM 0 HA GLN A 82 3.603 6.316 3.492 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.738 7.081 6.282 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.443 7.091 5.876 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.211 8.829 4.327 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.506 8.518 4.069 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.601 10.462 4.558 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.750 11.257 6.128 1.00 0.00 H new ATOM 1234 N ILE A 83 4.556 4.067 3.996 1.00 0.00 N ATOM 1235 CA ILE A 83 5.300 2.855 4.315 1.00 0.00 C ATOM 1236 C ILE A 83 6.763 3.170 4.611 1.00 0.00 C ATOM 1237 O ILE A 83 7.400 3.937 3.890 1.00 0.00 O ATOM 1238 CB ILE A 83 5.229 1.831 3.167 1.00 0.00 C ATOM 1239 CG1 ILE A 83 3.783 1.384 2.942 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.119 0.634 3.468 1.00 0.00 C ATOM 1241 CD1 ILE A 83 3.558 0.717 1.603 1.00 0.00 C ATOM 0 H ILE A 83 4.541 4.304 3.004 1.00 0.00 H new ATOM 0 HA ILE A 83 4.836 2.425 5.203 1.00 0.00 H new ATOM 0 HB ILE A 83 5.589 2.305 2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.497 0.693 3.735 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.127 2.251 3.022 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.058 -0.081 2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 83 7.150 0.967 3.583 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.787 0.157 4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.511 0.427 1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.812 1.412 0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.188 -0.169 1.527 1.00 0.00 H new ATOM 1253 N GLN A 84 7.288 2.570 5.674 1.00 0.00 N ATOM 1254 CA GLN A 84 8.677 2.786 6.064 1.00 0.00 C ATOM 1255 C GLN A 84 9.414 1.459 6.211 1.00 0.00 C ATOM 1256 O GLN A 84 8.836 0.392 6.004 1.00 0.00 O ATOM 1257 CB GLN A 84 8.744 3.569 7.377 1.00 0.00 C ATOM 1258 CG GLN A 84 7.806 4.764 7.421 1.00 0.00 C ATOM 1259 CD GLN A 84 8.233 5.804 8.438 1.00 0.00 C ATOM 1260 OE1 GLN A 84 9.373 5.801 8.905 1.00 0.00 O ATOM 1261 NE2 GLN A 84 7.319 6.701 8.788 1.00 0.00 N ATOM 0 H GLN A 84 6.774 1.931 6.280 1.00 0.00 H new ATOM 0 HA GLN A 84 9.163 3.365 5.279 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.504 2.899 8.203 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.766 3.914 7.533 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.763 5.223 6.434 1.00 0.00 H new ATOM 0 HG3 GLN A 84 6.799 4.422 7.658 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.387 6.666 8.376 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.549 7.425 9.469 1.00 0.00 H new ATOM 1270 N GLU A 85 10.692 1.534 6.568 1.00 0.00 N ATOM 1271 CA GLU A 85 11.507 0.338 6.741 1.00 0.00 C ATOM 1272 C GLU A 85 11.624 -0.435 5.430 1.00 0.00 C ATOM 1273 O GLU A 85 11.491 -1.659 5.404 1.00 0.00 O ATOM 1274 CB GLU A 85 10.909 -0.562 7.825 1.00 0.00 C ATOM 1275 CG GLU A 85 11.022 0.016 9.226 1.00 0.00 C ATOM 1276 CD GLU A 85 12.351 -0.301 9.882 1.00 0.00 C ATOM 1277 OE1 GLU A 85 12.638 -1.497 10.096 1.00 0.00 O ATOM 1278 OE2 GLU A 85 13.105 0.649 10.181 1.00 0.00 O ATOM 0 H GLU A 85 11.185 2.410 6.743 1.00 0.00 H new ATOM 0 HA GLU A 85 12.505 0.651 7.049 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.858 -0.740 7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.410 -1.530 7.799 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.892 1.097 9.180 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.214 -0.376 9.843 1.00 0.00 H new ATOM 1285 N LEU A 86 11.873 0.288 4.344 1.00 0.00 N ATOM 1286 CA LEU A 86 12.008 -0.328 3.029 1.00 0.00 C ATOM 1287 C LEU A 86 13.454 -0.272 2.547 1.00 0.00 C ATOM 1288 O LEU A 86 14.217 0.612 2.938 1.00 0.00 O ATOM 1289 CB LEU A 86 11.095 0.371 2.021 1.00 0.00 C ATOM 1290 CG LEU A 86 9.618 -0.023 2.067 1.00 0.00 C ATOM 1291 CD1 LEU A 86 8.790 0.907 1.194 1.00 0.00 C ATOM 1292 CD2 LEU A 86 9.438 -1.469 1.630 1.00 0.00 C ATOM 0 H LEU A 86 11.986 1.302 4.348 1.00 0.00 H new ATOM 0 HA LEU A 86 11.713 -1.374 3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.168 1.447 2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.473 0.170 1.019 1.00 0.00 H new ATOM 0 HG LEU A 86 9.269 0.071 3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.742 0.611 1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.894 1.931 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.140 0.846 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.381 -1.732 1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.805 -1.589 0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.999 -2.123 2.297 1.00 0.00 H new ATOM 1304 N THR A 87 13.825 -1.220 1.692 1.00 0.00 N ATOM 1305 CA THR A 87 15.178 -1.278 1.155 1.00 0.00 C ATOM 1306 C THR A 87 15.371 -0.259 0.037 1.00 0.00 C ATOM 1307 O THR A 87 14.443 0.031 -0.719 1.00 0.00 O ATOM 1308 CB THR A 87 15.509 -2.683 0.615 1.00 0.00 C ATOM 1309 OG1 THR A 87 14.817 -3.676 1.379 1.00 0.00 O ATOM 1310 CG2 THR A 87 17.006 -2.945 0.671 1.00 0.00 C ATOM 0 H THR A 87 13.206 -1.958 1.357 1.00 0.00 H new ATOM 0 HA THR A 87 15.854 -1.044 1.977 1.00 0.00 H new ATOM 0 HB THR A 87 15.186 -2.734 -0.425 1.00 0.00 H new ATOM 0 HG1 THR A 87 13.935 -3.838 0.983 1.00 0.00 H new ATOM 0 HG21 THR A 87 17.215 -3.943 0.285 1.00 0.00 H new ATOM 0 HG22 THR A 87 17.528 -2.204 0.065 1.00 0.00 H new ATOM 0 HG23 THR A 87 17.349 -2.876 1.703 1.00 0.00 H new ATOM 1318 N LEU A 88 16.580 0.281 -0.062 1.00 0.00 N ATOM 1319 CA LEU A 88 16.895 1.269 -1.089 1.00 0.00 C ATOM 1320 C LEU A 88 17.582 0.613 -2.282 1.00 0.00 C ATOM 1321 O LEU A 88 17.992 -0.546 -2.216 1.00 0.00 O ATOM 1322 CB LEU A 88 17.789 2.367 -0.511 1.00 0.00 C ATOM 1323 CG LEU A 88 17.365 2.934 0.844 1.00 0.00 C ATOM 1324 CD1 LEU A 88 18.571 3.470 1.600 1.00 0.00 C ATOM 1325 CD2 LEU A 88 16.320 4.026 0.662 1.00 0.00 C ATOM 0 H LEU A 88 17.359 0.052 0.556 1.00 0.00 H new ATOM 0 HA LEU A 88 15.960 1.713 -1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 88 18.800 1.972 -0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 88 17.833 3.187 -1.228 1.00 0.00 H new ATOM 0 HG LEU A 88 16.923 2.129 1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.249 3.869 2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 88 19.286 2.664 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 88 19.043 4.262 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 88 16.030 4.418 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.737 4.831 0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 88 15.444 3.612 0.162 1.00 0.00 H new ATOM 1337 N ASP A 89 17.707 1.363 -3.372 1.00 0.00 N ATOM 1338 CA ASP A 89 18.347 0.856 -4.580 1.00 0.00 C ATOM 1339 C ASP A 89 17.808 -0.524 -4.943 1.00 0.00 C ATOM 1340 O ASP A 89 18.556 -1.403 -5.371 1.00 0.00 O ATOM 1341 CB ASP A 89 19.863 0.790 -4.389 1.00 0.00 C ATOM 1342 CG ASP A 89 20.575 0.217 -5.599 1.00 0.00 C ATOM 1343 OD1 ASP A 89 20.401 0.769 -6.706 1.00 0.00 O ATOM 1344 OD2 ASP A 89 21.305 -0.783 -5.439 1.00 0.00 O ATOM 0 H ASP A 89 17.373 2.324 -3.443 1.00 0.00 H new ATOM 0 HA ASP A 89 18.120 1.541 -5.397 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.245 1.791 -4.187 1.00 0.00 H new ATOM 0 HB3 ASP A 89 20.090 0.180 -3.515 1.00 0.00 H new ATOM 1349 N THR A 90 16.503 -0.708 -4.769 1.00 0.00 N ATOM 1350 CA THR A 90 15.863 -1.981 -5.076 1.00 0.00 C ATOM 1351 C THR A 90 14.449 -1.772 -5.608 1.00 0.00 C ATOM 1352 O THR A 90 13.638 -1.057 -5.018 1.00 0.00 O ATOM 1353 CB THR A 90 15.803 -2.893 -3.837 1.00 0.00 C ATOM 1354 OG1 THR A 90 17.118 -3.354 -3.504 1.00 0.00 O ATOM 1355 CG2 THR A 90 14.890 -4.085 -4.085 1.00 0.00 C ATOM 0 H THR A 90 15.869 0.009 -4.417 1.00 0.00 H new ATOM 0 HA THR A 90 16.470 -2.462 -5.843 1.00 0.00 H new ATOM 0 HB THR A 90 15.400 -2.314 -3.006 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.608 -2.641 -3.043 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.864 -4.715 -3.196 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.883 -3.732 -4.309 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.268 -4.664 -4.928 1.00 0.00 H new ATOM 1363 N PRO A 91 14.144 -2.410 -6.747 1.00 0.00 N ATOM 1364 CA PRO A 91 12.826 -2.310 -7.382 1.00 0.00 C ATOM 1365 C PRO A 91 11.741 -3.019 -6.579 1.00 0.00 C ATOM 1366 O PRO A 91 11.732 -4.246 -6.477 1.00 0.00 O ATOM 1367 CB PRO A 91 13.030 -3.001 -8.732 1.00 0.00 C ATOM 1368 CG PRO A 91 14.162 -3.943 -8.509 1.00 0.00 C ATOM 1369 CD PRO A 91 15.061 -3.279 -7.503 1.00 0.00 C ATOM 0 HA PRO A 91 12.490 -1.276 -7.463 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.130 -3.531 -9.045 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.264 -2.279 -9.515 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.803 -4.903 -8.138 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.695 -4.140 -9.439 1.00 0.00 H new ATOM 0 HD2 PRO A 91 15.548 -4.009 -6.856 1.00 0.00 H new ATOM 0 HD3 PRO A 91 15.851 -2.705 -7.987 1.00 0.00 H new ATOM 1377 N TYR A 92 10.827 -2.239 -6.011 1.00 0.00 N ATOM 1378 CA TYR A 92 9.738 -2.793 -5.216 1.00 0.00 C ATOM 1379 C TYR A 92 8.412 -2.697 -5.965 1.00 0.00 C ATOM 1380 O TYR A 92 8.207 -1.790 -6.772 1.00 0.00 O ATOM 1381 CB TYR A 92 9.633 -2.061 -3.876 1.00 0.00 C ATOM 1382 CG TYR A 92 10.453 -2.694 -2.775 1.00 0.00 C ATOM 1383 CD1 TYR A 92 11.837 -2.573 -2.755 1.00 0.00 C ATOM 1384 CD2 TYR A 92 9.843 -3.412 -1.754 1.00 0.00 C ATOM 1385 CE1 TYR A 92 12.590 -3.151 -1.751 1.00 0.00 C ATOM 1386 CE2 TYR A 92 10.588 -3.992 -0.745 1.00 0.00 C ATOM 1387 CZ TYR A 92 11.961 -3.859 -0.748 1.00 0.00 C ATOM 1388 OH TYR A 92 12.707 -4.435 0.255 1.00 0.00 O ATOM 0 H TYR A 92 10.819 -1.222 -6.087 1.00 0.00 H new ATOM 0 HA TYR A 92 9.956 -3.845 -5.032 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.955 -1.028 -4.009 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.588 -2.032 -3.568 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.333 -2.018 -3.538 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.768 -3.519 -1.749 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.665 -3.049 -1.751 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.098 -4.546 0.042 1.00 0.00 H new ATOM 0 HH TYR A 92 12.111 -4.896 0.882 1.00 0.00 H new ATOM 1398 N TYR A 93 7.516 -3.638 -5.692 1.00 0.00 N ATOM 1399 CA TYR A 93 6.211 -3.662 -6.340 1.00 0.00 C ATOM 1400 C TYR A 93 5.095 -3.426 -5.327 1.00 0.00 C ATOM 1401 O TYR A 93 4.990 -4.134 -4.325 1.00 0.00 O ATOM 1402 CB TYR A 93 5.996 -5.000 -7.051 1.00 0.00 C ATOM 1403 CG TYR A 93 7.177 -5.438 -7.887 1.00 0.00 C ATOM 1404 CD1 TYR A 93 7.310 -5.026 -9.207 1.00 0.00 C ATOM 1405 CD2 TYR A 93 8.159 -6.266 -7.357 1.00 0.00 C ATOM 1406 CE1 TYR A 93 8.387 -5.424 -9.975 1.00 0.00 C ATOM 1407 CE2 TYR A 93 9.240 -6.668 -8.117 1.00 0.00 C ATOM 1408 CZ TYR A 93 9.349 -6.245 -9.425 1.00 0.00 C ATOM 1409 OH TYR A 93 10.424 -6.645 -10.186 1.00 0.00 O ATOM 0 H TYR A 93 7.670 -4.395 -5.026 1.00 0.00 H new ATOM 0 HA TYR A 93 6.184 -2.858 -7.076 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.784 -5.767 -6.307 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.117 -4.925 -7.691 1.00 0.00 H new ATOM 0 HD1 TYR A 93 6.558 -4.383 -9.640 1.00 0.00 H new ATOM 0 HD2 TYR A 93 8.076 -6.601 -6.334 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.475 -5.094 -11.000 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.996 -7.310 -7.689 1.00 0.00 H new ATOM 0 HH TYR A 93 11.009 -7.219 -9.649 1.00 0.00 H new ATOM 1419 N PHE A 94 4.262 -2.427 -5.597 1.00 0.00 N ATOM 1420 CA PHE A 94 3.152 -2.096 -4.710 1.00 0.00 C ATOM 1421 C PHE A 94 1.813 -2.378 -5.384 1.00 0.00 C ATOM 1422 O PHE A 94 1.694 -2.307 -6.608 1.00 0.00 O ATOM 1423 CB PHE A 94 3.226 -0.625 -4.293 1.00 0.00 C ATOM 1424 CG PHE A 94 4.541 -0.242 -3.677 1.00 0.00 C ATOM 1425 CD1 PHE A 94 5.616 0.119 -4.474 1.00 0.00 C ATOM 1426 CD2 PHE A 94 4.704 -0.244 -2.301 1.00 0.00 C ATOM 1427 CE1 PHE A 94 6.827 0.473 -3.910 1.00 0.00 C ATOM 1428 CE2 PHE A 94 5.913 0.109 -1.731 1.00 0.00 C ATOM 1429 CZ PHE A 94 6.976 0.466 -2.537 1.00 0.00 C ATOM 0 H PHE A 94 4.334 -1.832 -6.423 1.00 0.00 H new ATOM 0 HA PHE A 94 3.230 -2.723 -3.822 1.00 0.00 H new ATOM 0 HB2 PHE A 94 3.047 0.001 -5.167 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.426 -0.416 -3.582 1.00 0.00 H new ATOM 0 HD1 PHE A 94 5.506 0.124 -5.548 1.00 0.00 H new ATOM 0 HD2 PHE A 94 3.877 -0.525 -1.666 1.00 0.00 H new ATOM 0 HE1 PHE A 94 7.656 0.755 -4.542 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.026 0.106 -0.657 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.922 0.739 -2.094 1.00 0.00 H new ATOM 1439 N LYS A 95 0.807 -2.699 -4.578 1.00 0.00 N ATOM 1440 CA LYS A 95 -0.524 -2.992 -5.094 1.00 0.00 C ATOM 1441 C LYS A 95 -1.597 -2.309 -4.253 1.00 0.00 C ATOM 1442 O LYS A 95 -1.509 -2.278 -3.025 1.00 0.00 O ATOM 1443 CB LYS A 95 -0.764 -4.504 -5.116 1.00 0.00 C ATOM 1444 CG LYS A 95 0.144 -5.250 -6.079 1.00 0.00 C ATOM 1445 CD LYS A 95 0.197 -6.734 -5.757 1.00 0.00 C ATOM 1446 CE LYS A 95 0.446 -7.566 -7.006 1.00 0.00 C ATOM 1447 NZ LYS A 95 0.074 -8.993 -6.805 1.00 0.00 N ATOM 0 H LYS A 95 0.889 -2.763 -3.563 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.584 -2.606 -6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.619 -4.901 -4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.802 -4.695 -5.387 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.213 -5.110 -7.099 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.149 -4.830 -6.033 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.987 -6.922 -5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.741 -7.041 -5.295 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.128 -7.155 -7.837 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.498 -7.501 -7.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.259 -9.526 -7.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.639 -9.393 -6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.936 -9.058 -6.567 1.00 0.00 H new ATOM 1461 N ILE A 96 -2.609 -1.764 -4.920 1.00 0.00 N ATOM 1462 CA ILE A 96 -3.699 -1.084 -4.232 1.00 0.00 C ATOM 1463 C ILE A 96 -5.044 -1.714 -4.576 1.00 0.00 C ATOM 1464 O ILE A 96 -5.279 -2.115 -5.716 1.00 0.00 O ATOM 1465 CB ILE A 96 -3.741 0.414 -4.586 1.00 0.00 C ATOM 1466 CG1 ILE A 96 -2.367 1.051 -4.369 1.00 0.00 C ATOM 1467 CG2 ILE A 96 -4.798 1.126 -3.756 1.00 0.00 C ATOM 1468 CD1 ILE A 96 -2.085 2.212 -5.296 1.00 0.00 C ATOM 0 H ILE A 96 -2.696 -1.780 -5.936 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.513 -1.191 -3.163 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.005 0.515 -5.639 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.294 1.395 -3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.598 0.291 -4.507 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.815 2.184 -4.018 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.775 0.687 -3.957 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.563 1.018 -2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.094 2.614 -5.085 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.125 1.870 -6.330 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.832 2.990 -5.142 1.00 0.00 H new ATOM 1480 N GLN A 97 -5.924 -1.797 -3.583 1.00 0.00 N ATOM 1481 CA GLN A 97 -7.247 -2.377 -3.782 1.00 0.00 C ATOM 1482 C GLN A 97 -8.228 -1.867 -2.732 1.00 0.00 C ATOM 1483 O GLN A 97 -7.853 -1.617 -1.587 1.00 0.00 O ATOM 1484 CB GLN A 97 -7.171 -3.904 -3.727 1.00 0.00 C ATOM 1485 CG GLN A 97 -8.459 -4.561 -3.260 1.00 0.00 C ATOM 1486 CD GLN A 97 -8.480 -4.806 -1.764 1.00 0.00 C ATOM 1487 OE1 GLN A 97 -9.176 -4.113 -1.020 1.00 0.00 O ATOM 1488 NE2 GLN A 97 -7.717 -5.795 -1.314 1.00 0.00 N ATOM 0 H GLN A 97 -5.745 -1.470 -2.634 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.605 -2.073 -4.766 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.918 -4.283 -4.717 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.361 -4.195 -3.058 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.304 -3.929 -3.533 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.589 -5.509 -3.782 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.156 -6.344 -1.966 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.692 -6.006 -0.316 1.00 0.00 H new ATOM 1497 N ALA A 98 -9.487 -1.716 -3.130 1.00 0.00 N ATOM 1498 CA ALA A 98 -10.523 -1.237 -2.223 1.00 0.00 C ATOM 1499 C ALA A 98 -11.338 -2.397 -1.660 1.00 0.00 C ATOM 1500 O ALA A 98 -11.307 -3.506 -2.193 1.00 0.00 O ATOM 1501 CB ALA A 98 -11.432 -0.247 -2.935 1.00 0.00 C ATOM 0 H ALA A 98 -9.814 -1.918 -4.075 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.036 -0.731 -1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.201 0.102 -2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.844 0.602 -3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.904 -0.735 -3.788 1.00 0.00 H new ATOM 1507 N ARG A 99 -12.067 -2.133 -0.580 1.00 0.00 N ATOM 1508 CA ARG A 99 -12.889 -3.155 0.055 1.00 0.00 C ATOM 1509 C ARG A 99 -14.127 -2.536 0.697 1.00 0.00 C ATOM 1510 O ARG A 99 -14.070 -1.436 1.245 1.00 0.00 O ATOM 1511 CB ARG A 99 -12.078 -3.909 1.111 1.00 0.00 C ATOM 1512 CG ARG A 99 -12.915 -4.419 2.272 1.00 0.00 C ATOM 1513 CD ARG A 99 -12.053 -5.108 3.319 1.00 0.00 C ATOM 1514 NE ARG A 99 -12.614 -4.977 4.662 1.00 0.00 N ATOM 1515 CZ ARG A 99 -11.965 -5.327 5.766 1.00 0.00 C ATOM 1516 NH1 ARG A 99 -10.739 -5.826 5.689 1.00 0.00 N ATOM 1517 NH2 ARG A 99 -12.542 -5.178 6.952 1.00 0.00 N ATOM 0 H ARG A 99 -12.105 -1.220 -0.127 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.211 -3.856 -0.715 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -11.576 -4.753 0.637 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.299 -3.251 1.497 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -13.450 -3.587 2.730 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -13.667 -5.116 1.902 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.954 -6.164 3.069 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.050 -4.681 3.302 1.00 0.00 H new ATOM 0 HE ARG A 99 -13.555 -4.596 4.756 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.292 -5.942 4.780 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.243 -6.094 6.539 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.485 -4.794 7.016 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.043 -5.447 7.800 1.00 0.00 H new ATOM 1531 N ASN A 100 -15.246 -3.250 0.624 1.00 0.00 N ATOM 1532 CA ASN A 100 -16.498 -2.770 1.196 1.00 0.00 C ATOM 1533 C ASN A 100 -17.112 -3.820 2.118 1.00 0.00 C ATOM 1534 O ASN A 100 -16.537 -4.886 2.332 1.00 0.00 O ATOM 1535 CB ASN A 100 -17.486 -2.411 0.085 1.00 0.00 C ATOM 1536 CG ASN A 100 -17.524 -3.454 -1.016 1.00 0.00 C ATOM 1537 OD1 ASN A 100 -16.803 -4.451 -0.966 1.00 0.00 O ATOM 1538 ND2 ASN A 100 -18.366 -3.227 -2.017 1.00 0.00 N ATOM 0 H ASN A 100 -15.311 -4.163 0.174 1.00 0.00 H new ATOM 0 HA ASN A 100 -16.282 -1.877 1.783 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -18.483 -2.300 0.511 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -17.213 -1.446 -0.342 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -18.435 -3.893 -2.787 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -18.944 -2.387 -2.016 1.00 0.00 H new ATOM 1545 N SER A 101 -18.285 -3.509 2.661 1.00 0.00 N ATOM 1546 CA SER A 101 -18.977 -4.423 3.562 1.00 0.00 C ATOM 1547 C SER A 101 -18.803 -5.869 3.107 1.00 0.00 C ATOM 1548 O SER A 101 -18.609 -6.771 3.923 1.00 0.00 O ATOM 1549 CB SER A 101 -20.464 -4.074 3.634 1.00 0.00 C ATOM 1550 OG SER A 101 -20.715 -3.119 4.650 1.00 0.00 O ATOM 0 H SER A 101 -18.776 -2.631 2.492 1.00 0.00 H new ATOM 0 HA SER A 101 -18.539 -4.317 4.554 1.00 0.00 H new ATOM 0 HB2 SER A 101 -20.796 -3.682 2.672 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.044 -4.977 3.828 1.00 0.00 H new ATOM 0 HG SER A 101 -21.672 -2.911 4.675 1.00 0.00 H new ATOM 1556 N LYS A 102 -18.875 -6.084 1.798 1.00 0.00 N ATOM 1557 CA LYS A 102 -18.726 -7.419 1.231 1.00 0.00 C ATOM 1558 C LYS A 102 -17.317 -7.955 1.466 1.00 0.00 C ATOM 1559 O LYS A 102 -17.104 -8.813 2.322 1.00 0.00 O ATOM 1560 CB LYS A 102 -19.030 -7.396 -0.269 1.00 0.00 C ATOM 1561 CG LYS A 102 -20.454 -6.978 -0.594 1.00 0.00 C ATOM 1562 CD LYS A 102 -21.405 -8.162 -0.555 1.00 0.00 C ATOM 1563 CE LYS A 102 -21.902 -8.431 0.857 1.00 0.00 C ATOM 1564 NZ LYS A 102 -23.195 -9.170 0.858 1.00 0.00 N ATOM 0 H LYS A 102 -19.036 -5.350 1.109 1.00 0.00 H new ATOM 0 HA LYS A 102 -19.436 -8.079 1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.338 -6.712 -0.761 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -18.848 -8.387 -0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -20.784 -6.222 0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -20.483 -6.519 -1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -22.254 -7.970 -1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -20.900 -9.048 -0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -21.154 -9.007 1.402 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -22.024 -7.486 1.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -23.500 -9.334 1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -23.916 -8.609 0.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -23.073 -10.083 0.376 1.00 0.00 H new ATOM 1578 N GLY A 103 -16.358 -7.442 0.702 1.00 0.00 N ATOM 1579 CA GLY A 103 -14.982 -7.880 0.844 1.00 0.00 C ATOM 1580 C GLY A 103 -14.018 -7.039 0.031 1.00 0.00 C ATOM 1581 O GLY A 103 -14.297 -5.878 -0.267 1.00 0.00 O ATOM 0 H GLY A 103 -16.509 -6.731 -0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -14.698 -7.838 1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -14.902 -8.922 0.533 1.00 0.00 H new ATOM 1585 N MET A 104 -12.880 -7.624 -0.327 1.00 0.00 N ATOM 1586 CA MET A 104 -11.872 -6.920 -1.110 1.00 0.00 C ATOM 1587 C MET A 104 -12.024 -7.228 -2.596 1.00 0.00 C ATOM 1588 O MET A 104 -12.722 -8.166 -2.977 1.00 0.00 O ATOM 1589 CB MET A 104 -10.468 -7.305 -0.638 1.00 0.00 C ATOM 1590 CG MET A 104 -10.220 -7.012 0.833 1.00 0.00 C ATOM 1591 SD MET A 104 -8.789 -7.895 1.485 1.00 0.00 S ATOM 1592 CE MET A 104 -9.552 -9.421 2.029 1.00 0.00 C ATOM 0 H MET A 104 -12.633 -8.584 -0.087 1.00 0.00 H new ATOM 0 HA MET A 104 -12.016 -5.850 -0.963 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.311 -8.368 -0.820 1.00 0.00 H new ATOM 0 HB3 MET A 104 -9.732 -6.767 -1.236 1.00 0.00 H new ATOM 0 HG2 MET A 104 -10.073 -5.940 0.966 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.104 -7.286 1.408 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.793 -10.075 2.458 1.00 0.00 H new ATOM 0 HE2 MET A 104 -10.309 -9.201 2.782 1.00 0.00 H new ATOM 0 HE3 MET A 104 -10.020 -9.917 1.179 1.00 0.00 H new ATOM 1602 N GLY A 105 -11.365 -6.431 -3.432 1.00 0.00 N ATOM 1603 CA GLY A 105 -11.440 -6.636 -4.867 1.00 0.00 C ATOM 1604 C GLY A 105 -10.142 -7.159 -5.447 1.00 0.00 C ATOM 1605 O GLY A 105 -9.238 -7.578 -4.724 1.00 0.00 O ATOM 0 H GLY A 105 -10.781 -5.647 -3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -12.243 -7.339 -5.089 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -11.698 -5.695 -5.352 1.00 0.00 H new ATOM 1609 N PRO A 106 -10.037 -7.142 -6.784 1.00 0.00 N ATOM 1610 CA PRO A 106 -8.844 -7.616 -7.491 1.00 0.00 C ATOM 1611 C PRO A 106 -7.645 -6.696 -7.287 1.00 0.00 C ATOM 1612 O PRO A 106 -7.778 -5.473 -7.313 1.00 0.00 O ATOM 1613 CB PRO A 106 -9.277 -7.613 -8.959 1.00 0.00 C ATOM 1614 CG PRO A 106 -10.363 -6.597 -9.032 1.00 0.00 C ATOM 1615 CD PRO A 106 -11.076 -6.657 -7.709 1.00 0.00 C ATOM 0 HA PRO A 106 -8.518 -8.592 -7.131 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -8.447 -7.353 -9.616 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -9.633 -8.596 -9.269 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.955 -5.602 -9.211 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -11.046 -6.814 -9.853 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -11.454 -5.679 -7.412 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -11.931 -7.332 -7.743 1.00 0.00 H new ATOM 1623 N MET A 107 -6.475 -7.292 -7.085 1.00 0.00 N ATOM 1624 CA MET A 107 -5.252 -6.525 -6.879 1.00 0.00 C ATOM 1625 C MET A 107 -4.876 -5.752 -8.139 1.00 0.00 C ATOM 1626 O MET A 107 -4.860 -6.308 -9.237 1.00 0.00 O ATOM 1627 CB MET A 107 -4.105 -7.452 -6.473 1.00 0.00 C ATOM 1628 CG MET A 107 -4.459 -8.394 -5.333 1.00 0.00 C ATOM 1629 SD MET A 107 -5.251 -7.547 -3.953 1.00 0.00 S ATOM 1630 CE MET A 107 -5.910 -8.937 -3.035 1.00 0.00 C ATOM 0 H MET A 107 -6.348 -8.304 -7.060 1.00 0.00 H new ATOM 0 HA MET A 107 -5.432 -5.810 -6.076 1.00 0.00 H new ATOM 0 HB2 MET A 107 -3.801 -8.041 -7.339 1.00 0.00 H new ATOM 0 HB3 MET A 107 -3.246 -6.848 -6.181 1.00 0.00 H new ATOM 0 HG2 MET A 107 -5.123 -9.174 -5.705 1.00 0.00 H new ATOM 0 HG3 MET A 107 -3.553 -8.887 -4.980 1.00 0.00 H new ATOM 0 HE1 MET A 107 -6.431 -8.574 -2.149 1.00 0.00 H new ATOM 0 HE2 MET A 107 -6.607 -9.491 -3.664 1.00 0.00 H new ATOM 0 HE3 MET A 107 -5.094 -9.593 -2.733 1.00 0.00 H new ATOM 1640 N SER A 108 -4.573 -4.469 -7.973 1.00 0.00 N ATOM 1641 CA SER A 108 -4.201 -3.619 -9.098 1.00 0.00 C ATOM 1642 C SER A 108 -2.885 -4.082 -9.716 1.00 0.00 C ATOM 1643 O SER A 108 -2.137 -4.846 -9.108 1.00 0.00 O ATOM 1644 CB SER A 108 -4.081 -2.162 -8.647 1.00 0.00 C ATOM 1645 OG SER A 108 -3.118 -2.025 -7.616 1.00 0.00 O ATOM 0 H SER A 108 -4.578 -3.995 -7.070 1.00 0.00 H new ATOM 0 HA SER A 108 -4.984 -3.694 -9.853 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.802 -1.537 -9.495 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.049 -1.806 -8.294 1.00 0.00 H new ATOM 0 HG SER A 108 -2.708 -1.136 -7.667 1.00 0.00 H new ATOM 1651 N GLU A 109 -2.611 -3.613 -10.929 1.00 0.00 N ATOM 1652 CA GLU A 109 -1.386 -3.980 -11.630 1.00 0.00 C ATOM 1653 C GLU A 109 -0.155 -3.574 -10.824 1.00 0.00 C ATOM 1654 O GLU A 109 0.040 -2.397 -10.520 1.00 0.00 O ATOM 1655 CB GLU A 109 -1.345 -3.320 -13.011 1.00 0.00 C ATOM 1656 CG GLU A 109 -2.343 -3.907 -13.995 1.00 0.00 C ATOM 1657 CD GLU A 109 -2.125 -3.411 -15.411 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -1.002 -3.574 -15.932 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -3.080 -2.861 -16.000 1.00 0.00 O ATOM 0 H GLU A 109 -3.220 -2.979 -11.446 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.378 -5.063 -11.752 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.540 -2.253 -12.901 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.340 -3.419 -13.422 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.267 -4.994 -13.979 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.354 -3.653 -13.677 1.00 0.00 H new ATOM 1666 N ALA A 110 0.671 -4.557 -10.481 1.00 0.00 N ATOM 1667 CA ALA A 110 1.882 -4.303 -9.712 1.00 0.00 C ATOM 1668 C ALA A 110 2.612 -3.068 -10.229 1.00 0.00 C ATOM 1669 O ALA A 110 2.932 -2.974 -11.414 1.00 0.00 O ATOM 1670 CB ALA A 110 2.799 -5.517 -9.755 1.00 0.00 C ATOM 0 H ALA A 110 0.523 -5.537 -10.724 1.00 0.00 H new ATOM 0 HA ALA A 110 1.593 -4.116 -8.678 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.700 -5.313 -9.176 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.283 -6.378 -9.331 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.072 -5.730 -10.788 1.00 0.00 H new ATOM 1676 N VAL A 111 2.872 -2.121 -9.333 1.00 0.00 N ATOM 1677 CA VAL A 111 3.564 -0.891 -9.698 1.00 0.00 C ATOM 1678 C VAL A 111 5.041 -0.960 -9.326 1.00 0.00 C ATOM 1679 O VAL A 111 5.391 -1.009 -8.147 1.00 0.00 O ATOM 1680 CB VAL A 111 2.930 0.335 -9.014 1.00 0.00 C ATOM 1681 CG1 VAL A 111 3.699 1.599 -9.365 1.00 0.00 C ATOM 1682 CG2 VAL A 111 1.466 0.465 -9.406 1.00 0.00 C ATOM 0 H VAL A 111 2.613 -2.183 -8.348 1.00 0.00 H new ATOM 0 HA VAL A 111 3.469 -0.784 -10.779 1.00 0.00 H new ATOM 0 HB VAL A 111 2.982 0.195 -7.934 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.237 2.455 -8.873 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.732 1.502 -9.030 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.681 1.748 -10.445 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.034 1.336 -8.914 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.388 0.583 -10.487 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.926 -0.431 -9.099 1.00 0.00 H new ATOM 1692 N GLN A 112 5.901 -0.964 -10.339 1.00 0.00 N ATOM 1693 CA GLN A 112 7.341 -1.027 -10.117 1.00 0.00 C ATOM 1694 C GLN A 112 7.906 0.356 -9.811 1.00 0.00 C ATOM 1695 O GLN A 112 7.951 1.226 -10.682 1.00 0.00 O ATOM 1696 CB GLN A 112 8.041 -1.618 -11.342 1.00 0.00 C ATOM 1697 CG GLN A 112 9.497 -1.981 -11.095 1.00 0.00 C ATOM 1698 CD GLN A 112 10.254 -2.264 -12.377 1.00 0.00 C ATOM 1699 OE1 GLN A 112 9.748 -2.028 -13.475 1.00 0.00 O ATOM 1700 NE2 GLN A 112 11.473 -2.773 -12.245 1.00 0.00 N ATOM 0 H GLN A 112 5.626 -0.924 -11.321 1.00 0.00 H new ATOM 0 HA GLN A 112 7.523 -1.671 -9.257 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.502 -2.510 -11.663 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.988 -0.901 -12.161 1.00 0.00 H new ATOM 0 HG2 GLN A 112 9.985 -1.165 -10.562 1.00 0.00 H new ATOM 0 HG3 GLN A 112 9.544 -2.857 -10.449 1.00 0.00 H new ATOM 0 HE21 GLN A 112 11.853 -2.953 -11.316 1.00 0.00 H new ATOM 0 HE22 GLN A 112 12.030 -2.984 -13.073 1.00 0.00 H new ATOM 1709 N PHE A 113 8.336 0.553 -8.570 1.00 0.00 N ATOM 1710 CA PHE A 113 8.897 1.831 -8.148 1.00 0.00 C ATOM 1711 C PHE A 113 10.253 1.635 -7.477 1.00 0.00 C ATOM 1712 O PHE A 113 10.351 1.006 -6.424 1.00 0.00 O ATOM 1713 CB PHE A 113 7.939 2.542 -7.190 1.00 0.00 C ATOM 1714 CG PHE A 113 8.528 3.768 -6.552 1.00 0.00 C ATOM 1715 CD1 PHE A 113 8.521 4.983 -7.218 1.00 0.00 C ATOM 1716 CD2 PHE A 113 9.090 3.705 -5.287 1.00 0.00 C ATOM 1717 CE1 PHE A 113 9.063 6.112 -6.634 1.00 0.00 C ATOM 1718 CE2 PHE A 113 9.633 4.831 -4.698 1.00 0.00 C ATOM 1719 CZ PHE A 113 9.619 6.036 -5.372 1.00 0.00 C ATOM 0 H PHE A 113 8.307 -0.157 -7.838 1.00 0.00 H new ATOM 0 HA PHE A 113 9.036 2.448 -9.035 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.037 2.823 -7.733 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.636 1.845 -6.408 1.00 0.00 H new ATOM 0 HD1 PHE A 113 8.087 5.048 -8.205 1.00 0.00 H new ATOM 0 HD2 PHE A 113 9.104 2.765 -4.755 1.00 0.00 H new ATOM 0 HE1 PHE A 113 9.052 7.053 -7.164 1.00 0.00 H new ATOM 0 HE2 PHE A 113 10.068 4.769 -3.711 1.00 0.00 H new ATOM 0 HZ PHE A 113 10.042 6.917 -4.913 1.00 0.00 H new ATOM 1729 N ARG A 114 11.297 2.178 -8.096 1.00 0.00 N ATOM 1730 CA ARG A 114 12.648 2.062 -7.560 1.00 0.00 C ATOM 1731 C ARG A 114 12.830 2.966 -6.344 1.00 0.00 C ATOM 1732 O ARG A 114 12.543 4.162 -6.397 1.00 0.00 O ATOM 1733 CB ARG A 114 13.677 2.420 -8.634 1.00 0.00 C ATOM 1734 CG ARG A 114 15.046 1.803 -8.394 1.00 0.00 C ATOM 1735 CD ARG A 114 15.945 1.953 -9.611 1.00 0.00 C ATOM 1736 NE ARG A 114 15.571 1.038 -10.685 1.00 0.00 N ATOM 1737 CZ ARG A 114 15.888 1.231 -11.961 1.00 0.00 C ATOM 1738 NH1 ARG A 114 16.582 2.303 -12.319 1.00 0.00 N ATOM 1739 NH2 ARG A 114 15.511 0.352 -12.880 1.00 0.00 N ATOM 0 H ARG A 114 11.233 2.702 -8.969 1.00 0.00 H new ATOM 0 HA ARG A 114 12.802 1.029 -7.249 1.00 0.00 H new ATOM 0 HB2 ARG A 114 13.305 2.093 -9.605 1.00 0.00 H new ATOM 0 HB3 ARG A 114 13.779 3.504 -8.681 1.00 0.00 H new ATOM 0 HG2 ARG A 114 15.515 2.279 -7.533 1.00 0.00 H new ATOM 0 HG3 ARG A 114 14.933 0.746 -8.152 1.00 0.00 H new ATOM 0 HD2 ARG A 114 15.894 2.979 -9.975 1.00 0.00 H new ATOM 0 HD3 ARG A 114 16.980 1.769 -9.322 1.00 0.00 H new ATOM 0 HE ARG A 114 15.036 0.204 -10.443 1.00 0.00 H new ATOM 0 HH11 ARG A 114 16.873 2.981 -11.615 1.00 0.00 H new ATOM 0 HH12 ARG A 114 16.825 2.450 -13.299 1.00 0.00 H new ATOM 0 HH21 ARG A 114 14.977 -0.473 -12.608 1.00 0.00 H new ATOM 0 HH22 ARG A 114 15.755 0.501 -13.859 1.00 0.00 H new ATOM 1753 N THR A 115 13.309 2.385 -5.248 1.00 0.00 N ATOM 1754 CA THR A 115 13.528 3.136 -4.019 1.00 0.00 C ATOM 1755 C THR A 115 14.594 4.209 -4.213 1.00 0.00 C ATOM 1756 O THR A 115 15.520 4.062 -5.011 1.00 0.00 O ATOM 1757 CB THR A 115 13.952 2.211 -2.863 1.00 0.00 C ATOM 1758 OG1 THR A 115 14.886 1.233 -3.335 1.00 0.00 O ATOM 1759 CG2 THR A 115 12.744 1.514 -2.256 1.00 0.00 C ATOM 0 H THR A 115 13.553 1.396 -5.187 1.00 0.00 H new ATOM 0 HA THR A 115 12.580 3.611 -3.766 1.00 0.00 H new ATOM 0 HB THR A 115 14.424 2.822 -2.093 1.00 0.00 H new ATOM 0 HG1 THR A 115 14.908 0.475 -2.714 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.069 0.866 -1.442 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.049 2.260 -1.871 1.00 0.00 H new ATOM 0 HG23 THR A 115 12.247 0.915 -3.020 1.00 0.00 H new ATOM 1767 N PRO A 116 14.463 5.316 -3.466 1.00 0.00 N ATOM 1768 CA PRO A 116 15.407 6.435 -3.538 1.00 0.00 C ATOM 1769 C PRO A 116 16.770 6.083 -2.951 1.00 0.00 C ATOM 1770 O PRO A 116 17.090 4.910 -2.759 1.00 0.00 O ATOM 1771 CB PRO A 116 14.730 7.524 -2.701 1.00 0.00 C ATOM 1772 CG PRO A 116 13.851 6.782 -1.754 1.00 0.00 C ATOM 1773 CD PRO A 116 13.384 5.560 -2.494 1.00 0.00 C ATOM 0 HA PRO A 116 15.609 6.732 -4.567 1.00 0.00 H new ATOM 0 HB2 PRO A 116 15.465 8.128 -2.169 1.00 0.00 H new ATOM 0 HB3 PRO A 116 14.152 8.203 -3.328 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.395 6.507 -0.850 1.00 0.00 H new ATOM 0 HG3 PRO A 116 13.006 7.396 -1.443 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.248 4.712 -1.823 1.00 0.00 H new ATOM 0 HD3 PRO A 116 12.428 5.731 -2.989 1.00 0.00 H new ATOM 1781 N LYS A 117 17.569 7.105 -2.669 1.00 0.00 N ATOM 1782 CA LYS A 117 18.898 6.905 -2.102 1.00 0.00 C ATOM 1783 C LYS A 117 19.213 7.975 -1.062 1.00 0.00 C ATOM 1784 O LYS A 117 18.786 9.122 -1.189 1.00 0.00 O ATOM 1785 CB LYS A 117 19.955 6.926 -3.209 1.00 0.00 C ATOM 1786 CG LYS A 117 19.822 5.782 -4.199 1.00 0.00 C ATOM 1787 CD LYS A 117 20.679 4.594 -3.797 1.00 0.00 C ATOM 1788 CE LYS A 117 20.171 3.947 -2.518 1.00 0.00 C ATOM 1789 NZ LYS A 117 20.794 4.549 -1.306 1.00 0.00 N ATOM 0 H LYS A 117 17.320 8.082 -2.824 1.00 0.00 H new ATOM 0 HA LYS A 117 18.914 5.932 -1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 117 19.886 7.871 -3.748 1.00 0.00 H new ATOM 0 HB3 LYS A 117 20.945 6.889 -2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 117 18.778 5.474 -4.262 1.00 0.00 H new ATOM 0 HG3 LYS A 117 20.114 6.123 -5.192 1.00 0.00 H new ATOM 0 HD2 LYS A 117 20.683 3.858 -4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 117 21.710 4.919 -3.657 1.00 0.00 H new ATOM 0 HE2 LYS A 117 19.088 4.056 -2.462 1.00 0.00 H new ATOM 0 HE3 LYS A 117 20.383 2.878 -2.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 21.308 3.815 -0.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 21.457 5.298 -1.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 20.053 4.955 -0.700 1.00 0.00 H new ATOM 1803 N ALA A 118 19.965 7.592 -0.035 1.00 0.00 N ATOM 1804 CA ALA A 118 20.341 8.520 1.024 1.00 0.00 C ATOM 1805 C ALA A 118 21.345 9.551 0.521 1.00 0.00 C ATOM 1806 O ALA A 118 22.268 9.220 -0.223 1.00 0.00 O ATOM 1807 CB ALA A 118 20.911 7.761 2.213 1.00 0.00 C ATOM 0 H ALA A 118 20.326 6.646 0.086 1.00 0.00 H new ATOM 0 HA ALA A 118 19.444 9.051 1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 118 21.188 8.467 2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 118 20.161 7.069 2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 118 21.793 7.203 1.899 1.00 0.00 H new