USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 901 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 41 GLN : amide:sc= -4.03 K(o=-5.6,f=-7.1!) USER MOD Set 1.2: A 42 THR OG1 : rot 180:sc= -1.62 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 10 SER OG : rot -170:sc= -1.63 USER MOD Single : A 11 LYS NZ :NH3+ -122:sc= -0.88 (180deg=-2.64!) USER MOD Single : A 14 ASN : amide:sc=-0.000983 X(o=-0.00098,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -151:sc= -0.26 (180deg=-1.4!) USER MOD Single : A 22 SER OG : rot -44:sc= -0.538 USER MOD Single : A 25 CYS SG : rot 70:sc= -3.46! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -123:sc= 0.659 USER MOD Single : A 30 THR OG1 : rot 65:sc= -3.78! USER MOD Single : A 37 HIS : no HE2:sc= -8.73! C(o=-8.7!,f=-10!) USER MOD Single : A 45 GLN : amide:sc= -0.467 X(o=-0.47,f=-0.031) USER MOD Single : A 46 ASN :FLIP amide:sc= -1.94 F(o=-3.7!,f=-1.9) USER MOD Single : A 48 CYS SG : rot 56:sc= 0.545 USER MOD Single : A 53 SER OG : rot 180:sc= -1.31 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 65 SER OG : rot 180:sc= -1.27 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 107 CYS SG : rot 180:sc= -1.95 USER MOD Single : A 111 LYS NZ :NH3+ -159:sc= 0.0159 (180deg=0) USER MOD Single : A 117 HIS :FLIP no HD1:sc= -0.756 F(o=-2.9!,f=-0.76) USER MOD Single : A 122 MET CE :methyl 136:sc= -1.79 (180deg=-4.35!) USER MOD Single : A 124 CYS SG : rot -25:sc= -0.832 USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 4 1.303 2.517 -18.644 1.00 0.00 N ATOM 59 CA VAL A 4 1.989 3.734 -18.235 1.00 0.00 C ATOM 60 C VAL A 4 1.708 4.883 -19.197 1.00 0.00 C ATOM 61 O VAL A 4 1.748 4.714 -20.416 1.00 0.00 O ATOM 62 CB VAL A 4 3.513 3.521 -18.141 1.00 0.00 C ATOM 63 CG1 VAL A 4 3.868 2.781 -16.861 1.00 0.00 C ATOM 64 CG2 VAL A 4 4.027 2.773 -19.361 1.00 0.00 C ATOM 0 HA VAL A 4 1.603 3.990 -17.248 1.00 0.00 H new ATOM 0 HB VAL A 4 3.997 4.497 -18.116 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.948 2.639 -16.810 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.538 3.363 -16.001 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.373 1.810 -16.853 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.105 2.633 -19.275 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.539 1.801 -19.424 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.807 3.348 -20.260 1.00 0.00 H new ATOM 74 N VAL A 5 1.427 6.050 -18.632 1.00 0.00 N ATOM 75 CA VAL A 5 1.140 7.242 -19.421 1.00 0.00 C ATOM 76 C VAL A 5 2.427 7.954 -19.828 1.00 0.00 C ATOM 77 O VAL A 5 3.432 7.883 -19.121 1.00 0.00 O ATOM 78 CB VAL A 5 0.247 8.228 -18.645 1.00 0.00 C ATOM 79 CG1 VAL A 5 -1.135 7.632 -18.417 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.896 8.609 -17.324 1.00 0.00 C ATOM 0 H VAL A 5 1.392 6.197 -17.623 1.00 0.00 H new ATOM 0 HA VAL A 5 0.611 6.910 -20.315 1.00 0.00 H new ATOM 0 HB VAL A 5 0.132 9.133 -19.241 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.752 8.343 -17.867 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.601 7.415 -19.378 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.044 6.711 -17.842 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.251 9.306 -16.789 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.043 7.714 -16.719 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.860 9.080 -17.515 1.00 0.00 H new ATOM 90 N PRO A 6 2.414 8.651 -20.980 1.00 0.00 N ATOM 91 CA PRO A 6 3.582 9.380 -21.487 1.00 0.00 C ATOM 92 C PRO A 6 4.376 10.071 -20.381 1.00 0.00 C ATOM 93 O PRO A 6 5.596 10.210 -20.475 1.00 0.00 O ATOM 94 CB PRO A 6 2.952 10.407 -22.421 1.00 0.00 C ATOM 95 CG PRO A 6 1.743 9.722 -22.965 1.00 0.00 C ATOM 96 CD PRO A 6 1.254 8.788 -21.883 1.00 0.00 C ATOM 0 HA PRO A 6 4.305 8.720 -21.967 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.685 11.319 -21.887 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.639 10.693 -23.218 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.973 10.447 -23.229 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.986 9.170 -23.873 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.389 9.198 -21.362 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.952 7.825 -22.294 1.00 0.00 H new ATOM 104 N ASP A 7 3.681 10.492 -19.329 1.00 0.00 N ATOM 105 CA ASP A 7 4.317 11.152 -18.205 1.00 0.00 C ATOM 106 C ASP A 7 3.668 10.698 -16.906 1.00 0.00 C ATOM 107 O ASP A 7 2.655 11.241 -16.475 1.00 0.00 O ATOM 108 CB ASP A 7 4.219 12.671 -18.350 1.00 0.00 C ATOM 109 CG ASP A 7 5.127 13.208 -19.439 1.00 0.00 C ATOM 110 OD1 ASP A 7 6.355 12.992 -19.349 1.00 0.00 O ATOM 111 OD2 ASP A 7 4.612 13.845 -20.382 1.00 0.00 O ATOM 0 H ASP A 7 2.671 10.385 -19.236 1.00 0.00 H new ATOM 0 HA ASP A 7 5.372 10.879 -18.187 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.188 12.946 -18.572 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.477 13.141 -17.401 1.00 0.00 H new ATOM 116 N GLN A 8 4.259 9.689 -16.290 1.00 0.00 N ATOM 117 CA GLN A 8 3.742 9.155 -15.040 1.00 0.00 C ATOM 118 C GLN A 8 3.818 10.222 -13.965 1.00 0.00 C ATOM 119 O GLN A 8 2.872 10.430 -13.201 1.00 0.00 O ATOM 120 CB GLN A 8 4.528 7.912 -14.616 1.00 0.00 C ATOM 121 CG GLN A 8 4.608 6.845 -15.696 1.00 0.00 C ATOM 122 CD GLN A 8 5.588 5.740 -15.351 1.00 0.00 C ATOM 123 OE1 GLN A 8 5.566 5.197 -14.247 1.00 0.00 O ATOM 124 NE2 GLN A 8 6.455 5.402 -16.299 1.00 0.00 N ATOM 0 H GLN A 8 5.098 9.222 -16.635 1.00 0.00 H new ATOM 0 HA GLN A 8 2.702 8.862 -15.183 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.538 8.209 -14.335 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.063 7.484 -13.728 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.619 6.414 -15.850 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.904 7.307 -16.638 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.437 5.879 -17.200 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.139 4.665 -16.126 1.00 0.00 H new ATOM 133 N ARG A 9 4.942 10.922 -13.940 1.00 0.00 N ATOM 134 CA ARG A 9 5.138 12.002 -12.994 1.00 0.00 C ATOM 135 C ARG A 9 4.146 13.111 -13.285 1.00 0.00 C ATOM 136 O ARG A 9 3.800 13.889 -12.401 1.00 0.00 O ATOM 137 CB ARG A 9 6.570 12.535 -13.066 1.00 0.00 C ATOM 138 CG ARG A 9 7.626 11.489 -12.740 1.00 0.00 C ATOM 139 CD ARG A 9 8.554 11.241 -13.920 1.00 0.00 C ATOM 140 NE ARG A 9 9.951 11.138 -13.504 1.00 0.00 N ATOM 141 CZ ARG A 9 10.921 10.657 -14.280 1.00 0.00 C ATOM 142 NH1 ARG A 9 10.651 10.234 -15.507 1.00 0.00 N ATOM 143 NH2 ARG A 9 12.165 10.601 -13.824 1.00 0.00 N ATOM 0 H ARG A 9 5.731 10.759 -14.566 1.00 0.00 H new ATOM 0 HA ARG A 9 4.972 11.624 -11.985 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.754 12.925 -14.067 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.673 13.371 -12.374 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.210 11.817 -11.880 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.139 10.556 -12.457 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.258 10.323 -14.428 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.449 12.052 -14.641 1.00 0.00 H new ATOM 0 HE ARG A 9 10.198 11.452 -12.566 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.696 10.276 -15.862 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.399 9.867 -16.096 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.378 10.926 -12.881 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.909 10.233 -14.416 1.00 0.00 H new ATOM 157 N SER A 10 3.674 13.174 -14.529 1.00 0.00 N ATOM 158 CA SER A 10 2.702 14.193 -14.901 1.00 0.00 C ATOM 159 C SER A 10 1.435 14.021 -14.078 1.00 0.00 C ATOM 160 O SER A 10 0.748 14.992 -13.768 1.00 0.00 O ATOM 161 CB SER A 10 2.380 14.137 -16.399 1.00 0.00 C ATOM 162 OG SER A 10 3.258 14.966 -17.140 1.00 0.00 O ATOM 0 H SER A 10 3.945 12.542 -15.283 1.00 0.00 H new ATOM 0 HA SER A 10 3.135 15.171 -14.693 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.459 13.109 -16.753 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.350 14.453 -16.565 1.00 0.00 H new ATOM 0 HG SER A 10 2.938 15.038 -18.064 1.00 0.00 H new ATOM 168 N LYS A 11 1.145 12.780 -13.701 1.00 0.00 N ATOM 169 CA LYS A 11 -0.025 12.492 -12.887 1.00 0.00 C ATOM 170 C LYS A 11 0.300 12.732 -11.426 1.00 0.00 C ATOM 171 O LYS A 11 -0.330 13.545 -10.762 1.00 0.00 O ATOM 172 CB LYS A 11 -0.495 11.051 -13.102 1.00 0.00 C ATOM 173 CG LYS A 11 -0.665 10.676 -14.565 1.00 0.00 C ATOM 174 CD LYS A 11 -1.740 11.516 -15.235 1.00 0.00 C ATOM 175 CE LYS A 11 -1.341 11.908 -16.648 1.00 0.00 C ATOM 176 NZ LYS A 11 -1.726 10.870 -17.643 1.00 0.00 N ATOM 0 H LYS A 11 1.703 11.962 -13.946 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.835 13.157 -13.187 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.223 10.372 -12.643 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.444 10.907 -12.586 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.282 10.810 -15.088 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.925 9.620 -14.643 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.676 10.957 -15.262 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.922 12.414 -14.645 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.815 12.854 -16.909 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.264 12.068 -16.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.879 10.545 -18.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.165 10.065 -17.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.403 11.273 -18.321 1.00 0.00 H new ATOM 190 N PHE A 12 1.312 12.046 -10.934 1.00 0.00 N ATOM 191 CA PHE A 12 1.739 12.220 -9.561 1.00 0.00 C ATOM 192 C PHE A 12 2.003 13.698 -9.273 1.00 0.00 C ATOM 193 O PHE A 12 2.008 14.123 -8.120 1.00 0.00 O ATOM 194 CB PHE A 12 3.020 11.417 -9.322 1.00 0.00 C ATOM 195 CG PHE A 12 3.136 10.823 -7.951 1.00 0.00 C ATOM 196 CD1 PHE A 12 2.199 9.913 -7.502 1.00 0.00 C ATOM 197 CD2 PHE A 12 4.186 11.170 -7.118 1.00 0.00 C ATOM 198 CE1 PHE A 12 2.305 9.352 -6.239 1.00 0.00 C ATOM 199 CE2 PHE A 12 4.299 10.616 -5.857 1.00 0.00 C ATOM 200 CZ PHE A 12 3.357 9.705 -5.418 1.00 0.00 C ATOM 0 H PHE A 12 1.853 11.363 -11.464 1.00 0.00 H new ATOM 0 HA PHE A 12 0.951 11.865 -8.896 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.073 10.614 -10.057 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.878 12.066 -9.497 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.375 9.635 -8.142 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.925 11.881 -7.457 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.567 8.641 -5.898 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.122 10.895 -5.216 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.444 9.270 -4.433 1.00 0.00 H new ATOM 210 N GLU A 13 2.255 14.476 -10.333 1.00 0.00 N ATOM 211 CA GLU A 13 2.550 15.901 -10.172 1.00 0.00 C ATOM 212 C GLU A 13 1.354 16.811 -10.465 1.00 0.00 C ATOM 213 O GLU A 13 1.286 17.928 -9.953 1.00 0.00 O ATOM 214 CB GLU A 13 3.738 16.299 -11.056 1.00 0.00 C ATOM 215 CG GLU A 13 3.369 16.585 -12.504 1.00 0.00 C ATOM 216 CD GLU A 13 4.584 16.689 -13.403 1.00 0.00 C ATOM 217 OE1 GLU A 13 5.186 15.639 -13.713 1.00 0.00 O ATOM 218 OE2 GLU A 13 4.934 17.821 -13.800 1.00 0.00 O ATOM 0 H GLU A 13 2.260 14.147 -11.298 1.00 0.00 H new ATOM 0 HA GLU A 13 2.799 16.044 -9.120 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.212 17.184 -10.632 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.478 15.499 -11.032 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.715 15.794 -12.872 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.803 17.515 -12.554 1.00 0.00 H new ATOM 225 N ASN A 14 0.445 16.368 -11.329 1.00 0.00 N ATOM 226 CA ASN A 14 -0.694 17.203 -11.713 1.00 0.00 C ATOM 227 C ASN A 14 -2.043 16.643 -11.264 1.00 0.00 C ATOM 228 O ASN A 14 -2.978 17.404 -11.015 1.00 0.00 O ATOM 229 CB ASN A 14 -0.701 17.386 -13.230 1.00 0.00 C ATOM 230 CG ASN A 14 -1.801 18.318 -13.700 1.00 0.00 C ATOM 231 OD1 ASN A 14 -1.815 19.501 -13.363 1.00 0.00 O ATOM 232 ND2 ASN A 14 -2.732 17.786 -14.483 1.00 0.00 N ATOM 0 H ASN A 14 0.471 15.450 -11.772 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.566 18.158 -11.203 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.264 17.779 -13.549 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.824 16.415 -13.709 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.498 18.364 -14.830 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.681 16.800 -14.738 1.00 0.00 H new ATOM 239 N GLU A 15 -2.157 15.327 -11.178 1.00 0.00 N ATOM 240 CA GLU A 15 -3.420 14.711 -10.779 1.00 0.00 C ATOM 241 C GLU A 15 -3.796 15.103 -9.353 1.00 0.00 C ATOM 242 O GLU A 15 -2.953 15.125 -8.459 1.00 0.00 O ATOM 243 CB GLU A 15 -3.348 13.191 -10.912 1.00 0.00 C ATOM 244 CG GLU A 15 -3.535 12.704 -12.339 1.00 0.00 C ATOM 245 CD GLU A 15 -4.392 11.456 -12.422 1.00 0.00 C ATOM 246 OE1 GLU A 15 -4.332 10.631 -11.487 1.00 0.00 O ATOM 247 OE2 GLU A 15 -5.126 11.306 -13.422 1.00 0.00 O ATOM 0 H GLU A 15 -1.403 14.669 -11.376 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.196 15.080 -11.449 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.383 12.846 -10.541 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.112 12.741 -10.279 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.994 13.495 -12.932 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.559 12.500 -12.780 1.00 0.00 H new ATOM 254 N GLU A 16 -5.070 15.431 -9.159 1.00 0.00 N ATOM 255 CA GLU A 16 -5.567 15.852 -7.848 1.00 0.00 C ATOM 256 C GLU A 16 -5.526 14.711 -6.832 1.00 0.00 C ATOM 257 O GLU A 16 -4.588 14.613 -6.044 1.00 0.00 O ATOM 258 CB GLU A 16 -6.992 16.414 -7.953 1.00 0.00 C ATOM 259 CG GLU A 16 -7.860 15.741 -9.006 1.00 0.00 C ATOM 260 CD GLU A 16 -7.997 16.572 -10.267 1.00 0.00 C ATOM 261 OE1 GLU A 16 -8.004 17.816 -10.159 1.00 0.00 O ATOM 262 OE2 GLU A 16 -8.097 15.978 -11.360 1.00 0.00 O ATOM 0 H GLU A 16 -5.779 15.414 -9.892 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.903 16.641 -7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.479 16.317 -6.983 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.933 17.479 -8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.431 14.771 -9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.850 15.553 -8.590 1.00 0.00 H new ATOM 269 N PHE A 17 -6.545 13.856 -6.847 1.00 0.00 N ATOM 270 CA PHE A 17 -6.616 12.733 -5.919 1.00 0.00 C ATOM 271 C PHE A 17 -5.296 11.966 -5.901 1.00 0.00 C ATOM 272 O PHE A 17 -4.884 11.440 -4.870 1.00 0.00 O ATOM 273 CB PHE A 17 -7.793 11.816 -6.299 1.00 0.00 C ATOM 274 CG PHE A 17 -7.475 10.343 -6.323 1.00 0.00 C ATOM 275 CD1 PHE A 17 -6.667 9.811 -7.314 1.00 0.00 C ATOM 276 CD2 PHE A 17 -7.990 9.493 -5.355 1.00 0.00 C ATOM 277 CE1 PHE A 17 -6.376 8.458 -7.341 1.00 0.00 C ATOM 278 CE2 PHE A 17 -7.703 8.141 -5.377 1.00 0.00 C ATOM 279 CZ PHE A 17 -6.895 7.624 -6.370 1.00 0.00 C ATOM 0 H PHE A 17 -7.333 13.920 -7.492 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.788 13.112 -4.912 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.607 11.985 -5.594 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.158 12.109 -7.283 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.259 10.460 -8.075 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.622 9.892 -4.576 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.745 8.055 -8.119 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.110 7.490 -4.618 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.669 6.568 -6.388 1.00 0.00 H new ATOM 289 N PHE A 18 -4.646 11.899 -7.056 1.00 0.00 N ATOM 290 CA PHE A 18 -3.392 11.194 -7.189 1.00 0.00 C ATOM 291 C PHE A 18 -2.338 11.895 -6.352 1.00 0.00 C ATOM 292 O PHE A 18 -1.480 11.252 -5.759 1.00 0.00 O ATOM 293 CB PHE A 18 -3.008 11.192 -8.663 1.00 0.00 C ATOM 294 CG PHE A 18 -2.323 9.952 -9.126 1.00 0.00 C ATOM 295 CD1 PHE A 18 -0.960 9.765 -9.003 1.00 0.00 C ATOM 296 CD2 PHE A 18 -3.086 8.966 -9.712 1.00 0.00 C ATOM 297 CE1 PHE A 18 -0.370 8.600 -9.466 1.00 0.00 C ATOM 298 CE2 PHE A 18 -2.510 7.801 -10.173 1.00 0.00 C ATOM 299 CZ PHE A 18 -1.147 7.617 -10.051 1.00 0.00 C ATOM 0 H PHE A 18 -4.977 12.332 -7.919 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.477 10.166 -6.838 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.909 11.338 -9.259 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.357 12.044 -8.856 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.352 10.530 -8.544 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.152 9.108 -9.812 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.697 8.460 -9.370 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.122 7.036 -10.627 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.689 6.708 -10.411 1.00 0.00 H new ATOM 309 N ARG A 19 -2.444 13.222 -6.281 1.00 0.00 N ATOM 310 CA ARG A 19 -1.528 14.022 -5.481 1.00 0.00 C ATOM 311 C ARG A 19 -2.014 14.038 -4.037 1.00 0.00 C ATOM 312 O ARG A 19 -1.300 13.618 -3.123 1.00 0.00 O ATOM 313 CB ARG A 19 -1.443 15.452 -6.022 1.00 0.00 C ATOM 314 CG ARG A 19 -0.415 15.622 -7.131 1.00 0.00 C ATOM 315 CD ARG A 19 0.345 16.935 -7.008 1.00 0.00 C ATOM 316 NE ARG A 19 -0.515 18.042 -6.594 1.00 0.00 N ATOM 317 CZ ARG A 19 -0.067 19.267 -6.326 1.00 0.00 C ATOM 318 NH1 ARG A 19 1.228 19.543 -6.426 1.00 0.00 N ATOM 319 NH2 ARG A 19 -0.914 20.217 -5.956 1.00 0.00 N ATOM 0 H ARG A 19 -3.157 13.763 -6.770 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.532 13.582 -5.531 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.422 15.749 -6.397 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.197 16.128 -5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.290 14.791 -7.102 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.916 15.582 -8.098 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.153 16.817 -6.286 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.806 17.176 -7.966 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.516 17.866 -6.505 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.884 18.815 -6.709 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.567 20.483 -6.220 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.910 20.010 -5.876 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.570 21.155 -5.751 1.00 0.00 H new ATOM 333 N LYS A 20 -3.253 14.498 -3.845 1.00 0.00 N ATOM 334 CA LYS A 20 -3.859 14.541 -2.519 1.00 0.00 C ATOM 335 C LYS A 20 -3.594 13.231 -1.789 1.00 0.00 C ATOM 336 O LYS A 20 -3.402 13.206 -0.574 1.00 0.00 O ATOM 337 CB LYS A 20 -5.366 14.791 -2.628 1.00 0.00 C ATOM 338 CG LYS A 20 -5.715 16.170 -3.168 1.00 0.00 C ATOM 339 CD LYS A 20 -6.652 16.088 -4.368 1.00 0.00 C ATOM 340 CE LYS A 20 -7.999 16.729 -4.072 1.00 0.00 C ATOM 341 NZ LYS A 20 -8.516 16.346 -2.729 1.00 0.00 N ATOM 0 H LYS A 20 -3.853 14.845 -4.593 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.414 15.360 -1.954 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.806 14.034 -3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.819 14.670 -1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.184 16.761 -2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.801 16.690 -3.455 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.193 16.584 -5.223 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.798 15.044 -4.645 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.905 17.813 -4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.718 16.431 -4.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.556 16.361 -2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.186 15.389 -2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.168 17.020 -2.018 1.00 0.00 H new ATOM 355 N LEU A 21 -3.547 12.147 -2.558 1.00 0.00 N ATOM 356 CA LEU A 21 -3.262 10.834 -2.005 1.00 0.00 C ATOM 357 C LEU A 21 -1.761 10.588 -2.050 1.00 0.00 C ATOM 358 O LEU A 21 -1.193 10.011 -1.123 1.00 0.00 O ATOM 359 CB LEU A 21 -4.008 9.735 -2.769 1.00 0.00 C ATOM 360 CG LEU A 21 -5.533 9.719 -2.598 1.00 0.00 C ATOM 361 CD1 LEU A 21 -6.085 8.336 -2.905 1.00 0.00 C ATOM 362 CD2 LEU A 21 -5.933 10.146 -1.192 1.00 0.00 C ATOM 0 H LEU A 21 -3.703 12.156 -3.566 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.607 10.806 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.782 9.839 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.616 8.769 -2.452 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.958 10.434 -3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.168 8.340 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.840 8.066 -3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.644 7.609 -2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.019 10.125 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.494 9.462 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.572 11.157 -1.002 1.00 0.00 H new ATOM 374 N SER A 22 -1.112 11.065 -3.123 1.00 0.00 N ATOM 375 CA SER A 22 0.342 10.926 -3.274 1.00 0.00 C ATOM 376 C SER A 22 1.062 11.300 -1.982 1.00 0.00 C ATOM 377 O SER A 22 2.209 10.914 -1.762 1.00 0.00 O ATOM 378 CB SER A 22 0.865 11.817 -4.403 1.00 0.00 C ATOM 379 OG SER A 22 0.964 13.167 -3.982 1.00 0.00 O ATOM 0 H SER A 22 -1.570 11.548 -3.896 1.00 0.00 H new ATOM 0 HA SER A 22 0.542 9.882 -3.514 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.843 11.461 -4.728 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.199 11.749 -5.263 1.00 0.00 H new ATOM 0 HG SER A 22 0.162 13.411 -3.474 1.00 0.00 H new ATOM 385 N ARG A 23 0.383 12.071 -1.143 1.00 0.00 N ATOM 386 CA ARG A 23 0.948 12.519 0.117 1.00 0.00 C ATOM 387 C ARG A 23 0.469 11.637 1.264 1.00 0.00 C ATOM 388 O ARG A 23 -0.085 10.559 1.040 1.00 0.00 O ATOM 389 CB ARG A 23 0.544 13.972 0.364 1.00 0.00 C ATOM 390 CG ARG A 23 0.474 14.810 -0.908 1.00 0.00 C ATOM 391 CD ARG A 23 1.835 15.377 -1.280 1.00 0.00 C ATOM 392 NE ARG A 23 1.935 16.806 -0.983 1.00 0.00 N ATOM 393 CZ ARG A 23 2.448 17.301 0.143 1.00 0.00 C ATOM 394 NH1 ARG A 23 2.913 16.492 1.088 1.00 0.00 N ATOM 395 NH2 ARG A 23 2.497 18.613 0.325 1.00 0.00 N ATOM 0 H ARG A 23 -0.567 12.400 -1.317 1.00 0.00 H new ATOM 0 HA ARG A 23 2.034 12.448 0.065 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.428 13.991 0.856 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.258 14.427 1.050 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.098 14.198 -1.728 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.235 15.626 -0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.612 14.839 -0.737 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.017 15.214 -2.342 1.00 0.00 H new ATOM 0 HE ARG A 23 1.591 17.465 -1.681 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.880 15.481 0.956 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.304 16.882 1.946 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.142 19.241 -0.396 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.889 18.994 1.186 1.00 0.00 H new ATOM 409 N GLU A 24 0.704 12.089 2.489 1.00 0.00 N ATOM 410 CA GLU A 24 0.313 11.327 3.673 1.00 0.00 C ATOM 411 C GLU A 24 -0.961 11.876 4.307 1.00 0.00 C ATOM 412 O GLU A 24 -1.062 13.067 4.600 1.00 0.00 O ATOM 413 CB GLU A 24 1.447 11.333 4.702 1.00 0.00 C ATOM 414 CG GLU A 24 2.794 10.932 4.123 1.00 0.00 C ATOM 415 CD GLU A 24 3.929 11.795 4.638 1.00 0.00 C ATOM 416 OE1 GLU A 24 4.215 12.836 4.011 1.00 0.00 O ATOM 417 OE2 GLU A 24 4.531 11.430 5.670 1.00 0.00 O ATOM 0 H GLU A 24 1.162 12.978 2.691 1.00 0.00 H new ATOM 0 HA GLU A 24 0.113 10.304 3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.529 12.330 5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.193 10.653 5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.995 9.889 4.368 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.754 11.002 3.036 1.00 0.00 H new ATOM 424 N CYS A 25 -1.926 10.987 4.527 1.00 0.00 N ATOM 425 CA CYS A 25 -3.195 11.362 5.140 1.00 0.00 C ATOM 426 C CYS A 25 -3.789 10.200 5.926 1.00 0.00 C ATOM 427 O CYS A 25 -3.631 9.034 5.565 1.00 0.00 O ATOM 428 CB CYS A 25 -4.185 11.882 4.091 1.00 0.00 C ATOM 429 SG CYS A 25 -3.972 11.184 2.437 1.00 0.00 S ATOM 0 H CYS A 25 -1.852 9.998 4.288 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.998 12.173 5.841 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.198 11.670 4.432 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.090 12.966 4.028 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.319 9.931 2.447 1.00 0.00 H new ATOM 435 N GLU A 26 -4.448 10.542 7.026 1.00 0.00 N ATOM 436 CA GLU A 26 -5.057 9.563 7.922 1.00 0.00 C ATOM 437 C GLU A 26 -5.784 8.439 7.186 1.00 0.00 C ATOM 438 O GLU A 26 -6.452 8.655 6.172 1.00 0.00 O ATOM 439 CB GLU A 26 -6.031 10.262 8.872 1.00 0.00 C ATOM 440 CG GLU A 26 -7.034 11.157 8.162 1.00 0.00 C ATOM 441 CD GLU A 26 -6.894 12.617 8.551 1.00 0.00 C ATOM 442 OE1 GLU A 26 -6.452 12.888 9.687 1.00 0.00 O ATOM 443 OE2 GLU A 26 -7.226 13.487 7.720 1.00 0.00 O ATOM 0 H GLU A 26 -4.576 11.509 7.324 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.240 9.103 8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.571 9.508 9.445 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.464 10.860 9.586 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.904 11.058 7.084 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.044 10.819 8.393 1.00 0.00 H new ATOM 450 N ILE A 27 -5.664 7.239 7.741 1.00 0.00 N ATOM 451 CA ILE A 27 -6.318 6.052 7.199 1.00 0.00 C ATOM 452 C ILE A 27 -7.006 5.277 8.321 1.00 0.00 C ATOM 453 O ILE A 27 -6.722 5.498 9.498 1.00 0.00 O ATOM 454 CB ILE A 27 -5.329 5.120 6.466 1.00 0.00 C ATOM 455 CG1 ILE A 27 -4.313 4.520 7.442 1.00 0.00 C ATOM 456 CG2 ILE A 27 -4.620 5.872 5.352 1.00 0.00 C ATOM 457 CD1 ILE A 27 -3.419 3.470 6.813 1.00 0.00 C ATOM 0 H ILE A 27 -5.111 7.060 8.579 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.054 6.395 6.471 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.897 4.300 6.026 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.692 5.320 7.846 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.847 4.076 8.282 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.926 5.202 4.845 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.355 6.242 4.637 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.069 6.713 5.774 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.724 3.088 7.561 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.031 2.651 6.434 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.858 3.915 5.991 1.00 0.00 H new ATOM 469 N LYS A 28 -7.912 4.376 7.960 1.00 0.00 N ATOM 470 CA LYS A 28 -8.631 3.585 8.958 1.00 0.00 C ATOM 471 C LYS A 28 -9.064 2.239 8.389 1.00 0.00 C ATOM 472 O LYS A 28 -9.284 2.108 7.188 1.00 0.00 O ATOM 473 CB LYS A 28 -9.854 4.353 9.460 1.00 0.00 C ATOM 474 CG LYS A 28 -9.504 5.580 10.285 1.00 0.00 C ATOM 475 CD LYS A 28 -10.750 6.324 10.736 1.00 0.00 C ATOM 476 CE LYS A 28 -10.596 6.866 12.147 1.00 0.00 C ATOM 477 NZ LYS A 28 -11.884 7.377 12.691 1.00 0.00 N ATOM 0 H LYS A 28 -8.166 4.174 6.993 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.953 3.402 9.791 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.456 4.660 8.605 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.471 3.685 10.061 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.923 5.279 11.157 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.874 6.247 9.697 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.952 7.146 10.050 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.609 5.655 10.694 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.214 6.080 12.798 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.858 7.668 12.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.735 7.738 13.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.237 8.145 12.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.582 6.606 12.714 1.00 0.00 H new ATOM 491 N TYR A 29 -9.183 1.236 9.257 1.00 0.00 N ATOM 492 CA TYR A 29 -9.587 -0.097 8.824 1.00 0.00 C ATOM 493 C TYR A 29 -11.101 -0.207 8.675 1.00 0.00 C ATOM 494 O TYR A 29 -11.849 0.022 9.626 1.00 0.00 O ATOM 495 CB TYR A 29 -9.081 -1.157 9.802 1.00 0.00 C ATOM 496 CG TYR A 29 -8.571 -2.399 9.112 1.00 0.00 C ATOM 497 CD1 TYR A 29 -7.396 -2.367 8.371 1.00 0.00 C ATOM 498 CD2 TYR A 29 -9.265 -3.599 9.193 1.00 0.00 C ATOM 499 CE1 TYR A 29 -6.927 -3.496 7.730 1.00 0.00 C ATOM 500 CE2 TYR A 29 -8.802 -4.733 8.553 1.00 0.00 C ATOM 501 CZ TYR A 29 -7.633 -4.675 7.822 1.00 0.00 C ATOM 502 OH TYR A 29 -7.167 -5.801 7.184 1.00 0.00 O ATOM 0 H TYR A 29 -9.006 1.321 10.258 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.139 -0.270 7.846 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.282 -0.731 10.410 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.888 -1.431 10.482 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.841 -1.444 8.295 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.180 -3.647 9.765 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.011 -3.455 7.159 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.352 -5.660 8.625 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.856 -6.141 6.576 1.00 0.00 H new ATOM 512 N THR A 30 -11.541 -0.568 7.473 1.00 0.00 N ATOM 513 CA THR A 30 -12.964 -0.723 7.182 1.00 0.00 C ATOM 514 C THR A 30 -13.173 -1.673 6.003 1.00 0.00 C ATOM 515 O THR A 30 -14.165 -1.571 5.282 1.00 0.00 O ATOM 516 CB THR A 30 -13.608 0.634 6.874 1.00 0.00 C ATOM 517 OG1 THR A 30 -13.407 0.995 5.517 1.00 0.00 O ATOM 518 CG2 THR A 30 -13.079 1.765 7.731 1.00 0.00 C ATOM 0 H THR A 30 -10.929 -0.760 6.680 1.00 0.00 H new ATOM 0 HA THR A 30 -13.441 -1.146 8.066 1.00 0.00 H new ATOM 0 HB THR A 30 -14.667 0.499 7.095 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.873 0.358 4.936 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.580 2.694 7.457 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.270 1.546 8.781 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.006 1.871 7.572 1.00 0.00 H new ATOM 526 N GLY A 31 -12.229 -2.590 5.810 1.00 0.00 N ATOM 527 CA GLY A 31 -12.326 -3.537 4.711 1.00 0.00 C ATOM 528 C GLY A 31 -13.264 -4.691 5.012 1.00 0.00 C ATOM 529 O GLY A 31 -14.276 -4.869 4.333 1.00 0.00 O ATOM 0 H GLY A 31 -11.399 -2.695 6.394 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.672 -3.016 3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.334 -3.930 4.487 1.00 0.00 H new ATOM 533 N PHE A 32 -12.932 -5.470 6.036 1.00 0.00 N ATOM 534 CA PHE A 32 -13.758 -6.609 6.430 1.00 0.00 C ATOM 535 C PHE A 32 -14.056 -6.561 7.926 1.00 0.00 C ATOM 536 O PHE A 32 -14.527 -7.535 8.510 1.00 0.00 O ATOM 537 CB PHE A 32 -13.063 -7.931 6.079 1.00 0.00 C ATOM 538 CG PHE A 32 -11.561 -7.881 6.165 1.00 0.00 C ATOM 539 CD1 PHE A 32 -10.809 -7.487 5.073 1.00 0.00 C ATOM 540 CD2 PHE A 32 -10.906 -8.238 7.332 1.00 0.00 C ATOM 541 CE1 PHE A 32 -9.429 -7.448 5.141 1.00 0.00 C ATOM 542 CE2 PHE A 32 -9.523 -8.200 7.410 1.00 0.00 C ATOM 543 CZ PHE A 32 -8.785 -7.805 6.311 1.00 0.00 C ATOM 0 H PHE A 32 -12.098 -5.335 6.608 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.697 -6.551 5.880 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.428 -8.709 6.749 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.348 -8.221 5.068 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.306 -7.206 4.156 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.480 -8.550 8.192 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.854 -7.139 4.281 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.024 -8.478 8.327 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.707 -7.775 6.366 1.00 0.00 H new ATOM 553 N ARG A 33 -13.767 -5.417 8.534 1.00 0.00 N ATOM 554 CA ARG A 33 -13.982 -5.217 9.958 1.00 0.00 C ATOM 555 C ARG A 33 -15.386 -4.722 10.259 1.00 0.00 C ATOM 556 O ARG A 33 -15.803 -4.666 11.414 1.00 0.00 O ATOM 557 CB ARG A 33 -12.957 -4.224 10.485 1.00 0.00 C ATOM 558 CG ARG A 33 -13.127 -2.818 9.927 1.00 0.00 C ATOM 559 CD ARG A 33 -14.206 -2.041 10.668 1.00 0.00 C ATOM 560 NE ARG A 33 -13.685 -0.812 11.260 1.00 0.00 N ATOM 561 CZ ARG A 33 -14.451 0.203 11.655 1.00 0.00 C ATOM 562 NH1 ARG A 33 -15.770 0.137 11.523 1.00 0.00 N ATOM 563 NH2 ARG A 33 -13.896 1.284 12.184 1.00 0.00 N ATOM 0 H ARG A 33 -13.378 -4.605 8.054 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.864 -6.180 10.456 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.027 -4.185 11.572 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.957 -4.584 10.242 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.180 -2.282 9.998 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.383 -2.876 8.869 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.015 -1.797 9.979 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.632 -2.669 11.451 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.675 -0.726 11.378 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.201 -0.694 11.118 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.353 0.917 11.827 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.883 1.338 12.288 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.482 2.062 12.487 1.00 0.00 H new ATOM 577 N ASP A 34 -16.106 -4.356 9.214 1.00 0.00 N ATOM 578 CA ASP A 34 -17.466 -3.853 9.361 1.00 0.00 C ATOM 579 C ASP A 34 -18.327 -4.788 10.214 1.00 0.00 C ATOM 580 O ASP A 34 -19.411 -4.405 10.651 1.00 0.00 O ATOM 581 CB ASP A 34 -18.110 -3.666 7.986 1.00 0.00 C ATOM 582 CG ASP A 34 -18.927 -2.393 7.899 1.00 0.00 C ATOM 583 OD1 ASP A 34 -18.323 -1.301 7.850 1.00 0.00 O ATOM 584 OD2 ASP A 34 -20.174 -2.487 7.878 1.00 0.00 O ATOM 0 H ASP A 34 -15.773 -4.397 8.251 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.408 -2.892 9.871 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.332 -3.648 7.223 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -18.750 -4.521 7.768 1.00 0.00 H new ATOM 589 N ARG A 35 -17.848 -6.011 10.463 1.00 0.00 N ATOM 590 CA ARG A 35 -18.604 -6.957 11.277 1.00 0.00 C ATOM 591 C ARG A 35 -17.811 -7.378 12.526 1.00 0.00 C ATOM 592 O ARG A 35 -18.175 -6.990 13.636 1.00 0.00 O ATOM 593 CB ARG A 35 -19.055 -8.176 10.451 1.00 0.00 C ATOM 594 CG ARG A 35 -19.141 -7.922 8.946 1.00 0.00 C ATOM 595 CD ARG A 35 -17.774 -7.673 8.313 1.00 0.00 C ATOM 596 NE ARG A 35 -17.585 -8.454 7.092 1.00 0.00 N ATOM 597 CZ ARG A 35 -17.552 -9.784 7.056 1.00 0.00 C ATOM 598 NH1 ARG A 35 -17.689 -10.489 8.172 1.00 0.00 N ATOM 599 NH2 ARG A 35 -17.382 -10.410 5.900 1.00 0.00 N ATOM 0 H ARG A 35 -16.955 -6.362 10.117 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.506 -6.450 11.620 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -18.361 -8.997 10.629 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -20.032 -8.501 10.809 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -19.610 -8.779 8.463 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -19.784 -7.061 8.763 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.668 -6.612 8.085 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.992 -7.925 9.029 1.00 0.00 H new ATOM 0 HE ARG A 35 -17.471 -7.949 6.213 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -17.820 -10.012 9.064 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.663 -11.508 8.138 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -17.277 -9.872 5.040 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.356 -11.429 5.871 1.00 0.00 H new ATOM 613 N PRO A 36 -16.721 -8.171 12.391 1.00 0.00 N ATOM 614 CA PRO A 36 -15.920 -8.610 13.521 1.00 0.00 C ATOM 615 C PRO A 36 -14.623 -7.812 13.655 1.00 0.00 C ATOM 616 O PRO A 36 -13.529 -8.377 13.614 1.00 0.00 O ATOM 617 CB PRO A 36 -15.617 -10.050 13.125 1.00 0.00 C ATOM 618 CG PRO A 36 -15.519 -10.021 11.625 1.00 0.00 C ATOM 619 CD PRO A 36 -16.159 -8.726 11.155 1.00 0.00 C ATOM 0 HA PRO A 36 -16.421 -8.488 14.481 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.687 -10.397 13.576 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.405 -10.726 13.457 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.478 -10.072 11.307 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.028 -10.881 11.190 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.428 -8.054 10.706 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.930 -8.905 10.405 1.00 0.00 H new ATOM 627 N HIS A 37 -14.750 -6.497 13.799 1.00 0.00 N ATOM 628 CA HIS A 37 -13.586 -5.620 13.921 1.00 0.00 C ATOM 629 C HIS A 37 -12.587 -6.137 14.958 1.00 0.00 C ATOM 630 O HIS A 37 -11.397 -6.273 14.672 1.00 0.00 O ATOM 631 CB HIS A 37 -14.028 -4.203 14.288 1.00 0.00 C ATOM 632 CG HIS A 37 -12.895 -3.224 14.361 1.00 0.00 C ATOM 633 ND1 HIS A 37 -12.272 -2.887 15.543 1.00 0.00 N ATOM 634 CD2 HIS A 37 -12.274 -2.506 13.393 1.00 0.00 C ATOM 635 CE1 HIS A 37 -11.320 -2.005 15.300 1.00 0.00 C ATOM 636 NE2 HIS A 37 -11.301 -1.755 14.002 1.00 0.00 N ATOM 0 H HIS A 37 -15.647 -6.013 13.834 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.085 -5.607 12.953 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -14.752 -3.854 13.552 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.539 -4.228 15.251 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -12.509 -3.261 16.462 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.503 -2.522 12.338 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.667 -1.562 16.037 1.00 0.00 H new ATOM 645 N GLU A 38 -13.073 -6.410 16.165 1.00 0.00 N ATOM 646 CA GLU A 38 -12.218 -6.896 17.245 1.00 0.00 C ATOM 647 C GLU A 38 -11.415 -8.120 16.820 1.00 0.00 C ATOM 648 O GLU A 38 -10.306 -8.341 17.305 1.00 0.00 O ATOM 649 CB GLU A 38 -13.058 -7.221 18.482 1.00 0.00 C ATOM 650 CG GLU A 38 -12.447 -6.720 19.781 1.00 0.00 C ATOM 651 CD GLU A 38 -12.467 -7.766 20.877 1.00 0.00 C ATOM 652 OE1 GLU A 38 -12.183 -8.945 20.578 1.00 0.00 O ATOM 653 OE2 GLU A 38 -12.765 -7.408 22.036 1.00 0.00 O ATOM 0 H GLU A 38 -14.055 -6.303 16.421 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.512 -6.102 17.489 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -14.049 -6.783 18.363 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.193 -8.301 18.546 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.418 -6.410 19.598 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.991 -5.837 20.117 1.00 0.00 H new ATOM 660 N GLU A 39 -11.961 -8.895 15.895 1.00 0.00 N ATOM 661 CA GLU A 39 -11.268 -10.071 15.389 1.00 0.00 C ATOM 662 C GLU A 39 -10.348 -9.634 14.277 1.00 0.00 C ATOM 663 O GLU A 39 -9.221 -10.109 14.141 1.00 0.00 O ATOM 664 CB GLU A 39 -12.258 -11.115 14.874 1.00 0.00 C ATOM 665 CG GLU A 39 -11.877 -12.543 15.227 1.00 0.00 C ATOM 666 CD GLU A 39 -12.656 -13.077 16.412 1.00 0.00 C ATOM 667 OE1 GLU A 39 -12.513 -12.517 17.518 1.00 0.00 O ATOM 668 OE2 GLU A 39 -13.409 -14.058 16.235 1.00 0.00 O ATOM 0 H GLU A 39 -12.879 -8.732 15.480 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.698 -10.531 16.196 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.245 -10.900 15.283 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.336 -11.026 13.790 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.050 -13.185 14.364 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.811 -12.587 15.448 1.00 0.00 H new ATOM 675 N ARG A 40 -10.855 -8.694 13.495 1.00 0.00 N ATOM 676 CA ARG A 40 -10.124 -8.128 12.390 1.00 0.00 C ATOM 677 C ARG A 40 -8.791 -7.574 12.860 1.00 0.00 C ATOM 678 O ARG A 40 -7.848 -7.461 12.080 1.00 0.00 O ATOM 679 CB ARG A 40 -10.963 -7.047 11.730 1.00 0.00 C ATOM 680 CG ARG A 40 -11.612 -7.522 10.445 1.00 0.00 C ATOM 681 CD ARG A 40 -12.667 -8.580 10.729 1.00 0.00 C ATOM 682 NE ARG A 40 -13.055 -9.315 9.525 1.00 0.00 N ATOM 683 CZ ARG A 40 -13.073 -10.646 9.430 1.00 0.00 C ATOM 684 NH1 ARG A 40 -12.758 -11.405 10.474 1.00 0.00 N ATOM 685 NH2 ARG A 40 -13.421 -11.220 8.286 1.00 0.00 N ATOM 0 H ARG A 40 -11.790 -8.305 13.616 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.917 -8.908 11.657 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.736 -6.717 12.424 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.335 -6.182 11.518 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.068 -6.677 9.929 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.852 -7.930 9.778 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.285 -9.280 11.472 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.548 -8.105 11.161 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.330 -8.775 8.705 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.499 -10.971 11.360 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.775 -12.421 10.389 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.674 -10.644 7.483 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.436 -12.237 8.210 1.00 0.00 H new ATOM 699 N GLN A 41 -8.706 -7.250 14.150 1.00 0.00 N ATOM 700 CA GLN A 41 -7.459 -6.740 14.703 1.00 0.00 C ATOM 701 C GLN A 41 -6.362 -7.758 14.439 1.00 0.00 C ATOM 702 O GLN A 41 -5.236 -7.414 14.076 1.00 0.00 O ATOM 703 CB GLN A 41 -7.596 -6.457 16.204 1.00 0.00 C ATOM 704 CG GLN A 41 -7.678 -7.706 17.070 1.00 0.00 C ATOM 705 CD GLN A 41 -6.313 -8.238 17.459 1.00 0.00 C ATOM 706 OE1 GLN A 41 -5.288 -7.784 16.949 1.00 0.00 O ATOM 707 NE2 GLN A 41 -6.292 -9.203 18.371 1.00 0.00 N ATOM 0 H GLN A 41 -9.472 -7.331 14.818 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.206 -5.795 14.222 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.745 -5.859 16.529 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.490 -5.855 16.369 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.246 -7.481 17.972 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.226 -8.480 16.533 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.166 -9.549 18.767 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.402 -9.598 18.675 1.00 0.00 H new ATOM 716 N THR A 42 -6.730 -9.027 14.585 1.00 0.00 N ATOM 717 CA THR A 42 -5.819 -10.126 14.327 1.00 0.00 C ATOM 718 C THR A 42 -5.844 -10.468 12.848 1.00 0.00 C ATOM 719 O THR A 42 -4.823 -10.844 12.275 1.00 0.00 O ATOM 720 CB THR A 42 -6.198 -11.351 15.160 1.00 0.00 C ATOM 721 OG1 THR A 42 -6.457 -10.984 16.503 1.00 0.00 O ATOM 722 CG2 THR A 42 -5.127 -12.421 15.174 1.00 0.00 C ATOM 0 H THR A 42 -7.661 -9.316 14.883 1.00 0.00 H new ATOM 0 HA THR A 42 -4.811 -9.822 14.611 1.00 0.00 H new ATOM 0 HB THR A 42 -7.089 -11.759 14.684 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.699 -11.781 17.019 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.460 -13.261 15.783 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.940 -12.762 14.156 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.208 -12.011 15.594 1.00 0.00 H new ATOM 730 N ARG A 43 -7.014 -10.318 12.221 1.00 0.00 N ATOM 731 CA ARG A 43 -7.132 -10.602 10.793 1.00 0.00 C ATOM 732 C ARG A 43 -6.235 -9.662 10.004 1.00 0.00 C ATOM 733 O ARG A 43 -5.664 -10.040 8.981 1.00 0.00 O ATOM 734 CB ARG A 43 -8.573 -10.455 10.306 1.00 0.00 C ATOM 735 CG ARG A 43 -9.585 -11.227 11.130 1.00 0.00 C ATOM 736 CD ARG A 43 -9.609 -12.699 10.752 1.00 0.00 C ATOM 737 NE ARG A 43 -10.423 -13.489 11.674 1.00 0.00 N ATOM 738 CZ ARG A 43 -10.877 -14.710 11.402 1.00 0.00 C ATOM 739 NH1 ARG A 43 -10.602 -15.283 10.237 1.00 0.00 N ATOM 740 NH2 ARG A 43 -11.608 -15.360 12.297 1.00 0.00 N ATOM 0 H ARG A 43 -7.875 -10.008 12.671 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.823 -11.635 10.634 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.843 -9.399 10.315 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.632 -10.790 9.270 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.345 -11.127 12.189 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.576 -10.797 10.985 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.000 -12.807 9.740 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.591 -13.088 10.744 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.657 -13.080 12.579 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.040 -14.787 9.545 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.952 -16.219 10.034 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.822 -14.924 13.194 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.956 -16.296 12.089 1.00 0.00 H new ATOM 754 N PHE A 44 -6.110 -8.436 10.498 1.00 0.00 N ATOM 755 CA PHE A 44 -5.282 -7.438 9.859 1.00 0.00 C ATOM 756 C PHE A 44 -3.812 -7.715 10.177 1.00 0.00 C ATOM 757 O PHE A 44 -2.972 -7.786 9.279 1.00 0.00 O ATOM 758 CB PHE A 44 -5.700 -6.048 10.340 1.00 0.00 C ATOM 759 CG PHE A 44 -4.568 -5.080 10.453 1.00 0.00 C ATOM 760 CD1 PHE A 44 -4.063 -4.451 9.331 1.00 0.00 C ATOM 761 CD2 PHE A 44 -4.010 -4.809 11.685 1.00 0.00 C ATOM 762 CE1 PHE A 44 -3.016 -3.560 9.435 1.00 0.00 C ATOM 763 CE2 PHE A 44 -2.961 -3.919 11.801 1.00 0.00 C ATOM 764 CZ PHE A 44 -2.463 -3.292 10.674 1.00 0.00 C ATOM 0 H PHE A 44 -6.578 -8.114 11.345 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.411 -7.480 8.777 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.443 -5.644 9.652 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.184 -6.141 11.312 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.493 -4.660 8.362 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.397 -5.298 12.567 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.629 -3.073 8.552 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.530 -3.713 12.770 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.643 -2.594 10.761 1.00 0.00 H new ATOM 774 N GLN A 45 -3.518 -7.891 11.466 1.00 0.00 N ATOM 775 CA GLN A 45 -2.158 -8.182 11.908 1.00 0.00 C ATOM 776 C GLN A 45 -1.674 -9.494 11.296 1.00 0.00 C ATOM 777 O GLN A 45 -0.478 -9.691 11.080 1.00 0.00 O ATOM 778 CB GLN A 45 -2.098 -8.257 13.435 1.00 0.00 C ATOM 779 CG GLN A 45 -1.139 -7.253 14.056 1.00 0.00 C ATOM 780 CD GLN A 45 -0.090 -7.911 14.932 1.00 0.00 C ATOM 781 OE1 GLN A 45 0.867 -8.504 14.435 1.00 0.00 O ATOM 782 NE2 GLN A 45 -0.266 -7.809 16.244 1.00 0.00 N ATOM 0 H GLN A 45 -4.204 -7.837 12.219 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.504 -7.377 11.574 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.097 -8.090 13.838 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.799 -9.263 13.730 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.644 -6.691 13.264 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.705 -6.536 14.650 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.074 -7.308 16.613 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.407 -8.232 16.883 1.00 0.00 H new ATOM 791 N ASN A 46 -2.623 -10.377 10.997 1.00 0.00 N ATOM 792 CA ASN A 46 -2.315 -11.663 10.381 1.00 0.00 C ATOM 793 C ASN A 46 -2.259 -11.493 8.871 1.00 0.00 C ATOM 794 O ASN A 46 -1.569 -12.235 8.172 1.00 0.00 O ATOM 795 CB ASN A 46 -3.361 -12.716 10.754 1.00 0.00 C ATOM 796 CG ASN A 46 -3.108 -13.328 12.119 1.00 0.00 C ATOM 797 OD1 ASN A 46 -3.029 -12.484 13.142 1.00 0.00 O flip ATOM 798 ND2 ASN A 46 -2.985 -14.545 12.252 1.00 0.00 N flip ATOM 0 H ASN A 46 -3.616 -10.224 11.173 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.349 -12.007 10.749 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.351 -12.260 10.742 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.363 -13.504 10.001 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.053 -15.156 11.438 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.815 -14.942 13.176 1.00 0.00 H new ATOM 805 N ALA A 47 -2.963 -10.478 8.385 1.00 0.00 N ATOM 806 CA ALA A 47 -2.971 -10.161 6.971 1.00 0.00 C ATOM 807 C ALA A 47 -1.580 -9.714 6.576 1.00 0.00 C ATOM 808 O ALA A 47 -1.121 -9.957 5.460 1.00 0.00 O ATOM 809 CB ALA A 47 -3.998 -9.079 6.671 1.00 0.00 C ATOM 0 H ALA A 47 -3.538 -9.860 8.957 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.250 -11.042 6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.989 -8.855 5.604 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.989 -9.428 6.960 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.752 -8.178 7.233 1.00 0.00 H new ATOM 815 N CYS A 48 -0.894 -9.094 7.533 1.00 0.00 N ATOM 816 CA CYS A 48 0.475 -8.652 7.316 1.00 0.00 C ATOM 817 C CYS A 48 1.360 -9.873 7.126 1.00 0.00 C ATOM 818 O CYS A 48 2.441 -9.789 6.545 1.00 0.00 O ATOM 819 CB CYS A 48 0.968 -7.817 8.500 1.00 0.00 C ATOM 820 SG CYS A 48 -0.070 -6.383 8.873 1.00 0.00 S ATOM 0 H CYS A 48 -1.264 -8.888 8.461 1.00 0.00 H new ATOM 0 HA CYS A 48 0.516 -8.025 6.425 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.021 -8.454 9.383 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.982 -7.475 8.293 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.295 -6.773 9.066 1.00 0.00 H new ATOM 826 N ARG A 49 0.874 -11.019 7.605 1.00 0.00 N ATOM 827 CA ARG A 49 1.607 -12.269 7.464 1.00 0.00 C ATOM 828 C ARG A 49 1.472 -12.786 6.033 1.00 0.00 C ATOM 829 O ARG A 49 2.360 -13.466 5.517 1.00 0.00 O ATOM 830 CB ARG A 49 1.102 -13.310 8.479 1.00 0.00 C ATOM 831 CG ARG A 49 0.122 -14.329 7.910 1.00 0.00 C ATOM 832 CD ARG A 49 -0.827 -14.851 8.978 1.00 0.00 C ATOM 833 NE ARG A 49 -0.723 -16.299 9.145 1.00 0.00 N ATOM 834 CZ ARG A 49 0.254 -16.900 9.820 1.00 0.00 C ATOM 835 NH1 ARG A 49 1.213 -16.181 10.393 1.00 0.00 N ATOM 836 NH2 ARG A 49 0.273 -18.221 9.924 1.00 0.00 N ATOM 0 H ARG A 49 -0.019 -11.103 8.091 1.00 0.00 H new ATOM 0 HA ARG A 49 2.662 -12.090 7.671 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.960 -13.842 8.891 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.623 -12.788 9.307 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.452 -13.872 7.104 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.674 -15.162 7.475 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.610 -14.360 9.927 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.851 -14.590 8.711 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.442 -16.884 8.719 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.203 -15.164 10.317 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.960 -16.646 10.909 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.461 -18.778 9.487 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.022 -18.681 10.441 1.00 0.00 H new ATOM 850 N ASP A 50 0.353 -12.442 5.398 1.00 0.00 N ATOM 851 CA ASP A 50 0.089 -12.848 4.024 1.00 0.00 C ATOM 852 C ASP A 50 0.420 -11.717 3.048 1.00 0.00 C ATOM 853 O ASP A 50 0.182 -11.836 1.847 1.00 0.00 O ATOM 854 CB ASP A 50 -1.375 -13.263 3.866 1.00 0.00 C ATOM 855 CG ASP A 50 -1.749 -14.418 4.773 1.00 0.00 C ATOM 856 OD1 ASP A 50 -1.479 -15.579 4.399 1.00 0.00 O ATOM 857 OD2 ASP A 50 -2.312 -14.163 5.858 1.00 0.00 O ATOM 0 H ASP A 50 -0.387 -11.880 5.818 1.00 0.00 H new ATOM 0 HA ASP A 50 0.728 -13.701 3.793 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.017 -12.410 4.085 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.560 -13.544 2.829 1.00 0.00 H new ATOM 862 N GLY A 51 0.980 -10.626 3.570 1.00 0.00 N ATOM 863 CA GLY A 51 1.343 -9.500 2.732 1.00 0.00 C ATOM 864 C GLY A 51 0.155 -8.892 2.011 1.00 0.00 C ATOM 865 O GLY A 51 0.283 -8.428 0.881 1.00 0.00 O ATOM 0 H GLY A 51 1.188 -10.505 4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.819 -8.735 3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.080 -9.823 1.997 1.00 0.00 H new ATOM 869 N ARG A 52 -1.002 -8.902 2.662 1.00 0.00 N ATOM 870 CA ARG A 52 -2.215 -8.351 2.072 1.00 0.00 C ATOM 871 C ARG A 52 -3.175 -7.813 3.123 1.00 0.00 C ATOM 872 O ARG A 52 -3.530 -8.509 4.072 1.00 0.00 O ATOM 873 CB ARG A 52 -2.919 -9.412 1.238 1.00 0.00 C ATOM 874 CG ARG A 52 -2.350 -9.513 -0.156 1.00 0.00 C ATOM 875 CD ARG A 52 -1.831 -10.910 -0.452 1.00 0.00 C ATOM 876 NE ARG A 52 -2.868 -11.778 -1.009 1.00 0.00 N ATOM 877 CZ ARG A 52 -3.549 -12.680 -0.303 1.00 0.00 C ATOM 878 NH1 ARG A 52 -3.313 -12.845 0.993 1.00 0.00 N ATOM 879 NH2 ARG A 52 -4.472 -13.423 -0.898 1.00 0.00 N ATOM 0 H ARG A 52 -1.125 -9.286 3.599 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.913 -7.517 1.439 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.832 -10.378 1.735 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.982 -9.178 1.178 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.118 -9.249 -0.883 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.541 -8.792 -0.272 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.999 -10.846 -1.153 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.442 -11.353 0.465 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.084 -11.687 -2.002 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.604 -12.278 1.459 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.841 -13.539 1.523 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.659 -13.303 -1.894 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.995 -14.114 -0.360 1.00 0.00 H new ATOM 893 N SER A 53 -3.609 -6.577 2.924 1.00 0.00 N ATOM 894 CA SER A 53 -4.559 -5.940 3.834 1.00 0.00 C ATOM 895 C SER A 53 -5.531 -5.048 3.068 1.00 0.00 C ATOM 896 O SER A 53 -5.307 -4.716 1.902 1.00 0.00 O ATOM 897 CB SER A 53 -3.839 -5.129 4.916 1.00 0.00 C ATOM 898 OG SER A 53 -3.667 -3.775 4.524 1.00 0.00 O ATOM 0 H SER A 53 -3.320 -5.992 2.140 1.00 0.00 H new ATOM 0 HA SER A 53 -5.124 -6.733 4.323 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.410 -5.171 5.844 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.866 -5.576 5.120 1.00 0.00 H new ATOM 0 HG SER A 53 -3.206 -3.284 5.236 1.00 0.00 H new ATOM 904 N GLU A 54 -6.599 -4.654 3.744 1.00 0.00 N ATOM 905 CA GLU A 54 -7.613 -3.786 3.158 1.00 0.00 C ATOM 906 C GLU A 54 -7.898 -2.623 4.097 1.00 0.00 C ATOM 907 O GLU A 54 -8.459 -2.811 5.176 1.00 0.00 O ATOM 908 CB GLU A 54 -8.897 -4.571 2.886 1.00 0.00 C ATOM 909 CG GLU A 54 -9.588 -4.178 1.591 1.00 0.00 C ATOM 910 CD GLU A 54 -10.067 -5.377 0.797 1.00 0.00 C ATOM 911 OE1 GLU A 54 -9.333 -6.386 0.744 1.00 0.00 O ATOM 912 OE2 GLU A 54 -11.178 -5.308 0.230 1.00 0.00 O ATOM 0 H GLU A 54 -6.788 -4.924 4.709 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.240 -3.398 2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.663 -5.635 2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.587 -4.421 3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.438 -3.535 1.818 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.900 -3.594 0.980 1.00 0.00 H new ATOM 919 N ILE A 55 -7.489 -1.424 3.699 1.00 0.00 N ATOM 920 CA ILE A 55 -7.687 -0.248 4.534 1.00 0.00 C ATOM 921 C ILE A 55 -8.474 0.843 3.821 1.00 0.00 C ATOM 922 O ILE A 55 -8.319 1.058 2.618 1.00 0.00 O ATOM 923 CB ILE A 55 -6.341 0.348 4.997 1.00 0.00 C ATOM 924 CG1 ILE A 55 -5.262 0.161 3.919 1.00 0.00 C ATOM 925 CG2 ILE A 55 -5.908 -0.270 6.319 1.00 0.00 C ATOM 926 CD1 ILE A 55 -4.552 -1.179 3.972 1.00 0.00 C ATOM 0 H ILE A 55 -7.022 -1.242 2.811 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.258 -0.591 5.397 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.475 1.418 5.153 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.722 0.277 2.937 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.522 0.955 4.020 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.957 0.163 6.629 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.663 -0.069 7.079 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.794 -1.347 6.197 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.807 -1.228 3.178 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.060 -1.292 4.938 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.278 -1.981 3.838 1.00 0.00 H new ATOM 938 N ALA A 56 -9.297 1.550 4.589 1.00 0.00 N ATOM 939 CA ALA A 56 -10.093 2.647 4.063 1.00 0.00 C ATOM 940 C ALA A 56 -9.316 3.950 4.196 1.00 0.00 C ATOM 941 O ALA A 56 -8.844 4.292 5.279 1.00 0.00 O ATOM 942 CB ALA A 56 -11.425 2.741 4.792 1.00 0.00 C ATOM 0 H ALA A 56 -9.429 1.378 5.586 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.300 2.462 3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.006 3.568 4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.978 1.810 4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.247 2.912 5.854 1.00 0.00 H new ATOM 948 N PHE A 57 -9.164 4.660 3.088 1.00 0.00 N ATOM 949 CA PHE A 57 -8.418 5.910 3.084 1.00 0.00 C ATOM 950 C PHE A 57 -9.307 7.063 3.550 1.00 0.00 C ATOM 951 O PHE A 57 -10.374 7.299 2.982 1.00 0.00 O ATOM 952 CB PHE A 57 -7.899 6.174 1.668 1.00 0.00 C ATOM 953 CG PHE A 57 -6.584 6.900 1.604 1.00 0.00 C ATOM 954 CD1 PHE A 57 -6.066 7.552 2.711 1.00 0.00 C ATOM 955 CD2 PHE A 57 -5.856 6.912 0.425 1.00 0.00 C ATOM 956 CE1 PHE A 57 -4.849 8.199 2.643 1.00 0.00 C ATOM 957 CE2 PHE A 57 -4.640 7.560 0.350 1.00 0.00 C ATOM 958 CZ PHE A 57 -4.134 8.204 1.460 1.00 0.00 C ATOM 0 H PHE A 57 -9.547 4.393 2.181 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.576 5.834 3.772 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.797 5.220 1.150 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.645 6.754 1.125 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.621 7.554 3.638 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.246 6.407 -0.447 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.455 8.701 3.514 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.085 7.563 -0.577 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.182 8.711 1.405 1.00 0.00 H new ATOM 968 N VAL A 58 -8.874 7.775 4.590 1.00 0.00 N ATOM 969 CA VAL A 58 -9.653 8.890 5.123 1.00 0.00 C ATOM 970 C VAL A 58 -9.528 10.135 4.250 1.00 0.00 C ATOM 971 O VAL A 58 -10.368 11.033 4.314 1.00 0.00 O ATOM 972 CB VAL A 58 -9.230 9.247 6.561 1.00 0.00 C ATOM 973 CG1 VAL A 58 -10.232 10.205 7.188 1.00 0.00 C ATOM 974 CG2 VAL A 58 -9.081 7.990 7.410 1.00 0.00 C ATOM 0 H VAL A 58 -7.995 7.601 5.077 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.691 8.558 5.127 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.260 9.743 6.519 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.918 10.447 8.203 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.281 11.119 6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.216 9.737 7.214 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.782 8.267 8.421 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.033 7.460 7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.322 7.343 6.971 1.00 0.00 H new ATOM 984 N ALA A 59 -8.476 10.189 3.438 1.00 0.00 N ATOM 985 CA ALA A 59 -8.246 11.330 2.557 1.00 0.00 C ATOM 986 C ALA A 59 -9.514 11.713 1.799 1.00 0.00 C ATOM 987 O ALA A 59 -9.932 12.871 1.811 1.00 0.00 O ATOM 988 CB ALA A 59 -7.120 11.021 1.581 1.00 0.00 C ATOM 0 H ALA A 59 -7.770 9.456 3.372 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.958 12.180 3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.958 11.879 0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.206 10.808 2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.389 10.153 0.978 1.00 0.00 H new ATOM 994 N THR A 60 -10.121 10.731 1.142 1.00 0.00 N ATOM 995 CA THR A 60 -11.343 10.962 0.378 1.00 0.00 C ATOM 996 C THR A 60 -12.327 9.806 0.549 1.00 0.00 C ATOM 997 O THR A 60 -13.268 9.664 -0.231 1.00 0.00 O ATOM 998 CB THR A 60 -11.012 11.150 -1.103 1.00 0.00 C ATOM 999 OG1 THR A 60 -10.189 10.096 -1.571 1.00 0.00 O ATOM 1000 CG2 THR A 60 -10.299 12.453 -1.397 1.00 0.00 C ATOM 0 H THR A 60 -9.788 9.767 1.123 1.00 0.00 H new ATOM 0 HA THR A 60 -11.812 11.869 0.759 1.00 0.00 H new ATOM 0 HB THR A 60 -11.974 11.157 -1.615 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.990 10.233 -2.521 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.094 12.523 -2.465 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.929 13.289 -1.093 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.360 12.487 -0.844 1.00 0.00 H new ATOM 1008 N GLY A 61 -12.104 8.981 1.569 1.00 0.00 N ATOM 1009 CA GLY A 61 -12.982 7.851 1.812 1.00 0.00 C ATOM 1010 C GLY A 61 -12.939 6.838 0.687 1.00 0.00 C ATOM 1011 O GLY A 61 -13.972 6.490 0.116 1.00 0.00 O ATOM 0 H GLY A 61 -11.333 9.075 2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.697 7.366 2.746 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.004 8.208 1.938 1.00 0.00 H new ATOM 1015 N THR A 62 -11.739 6.368 0.365 1.00 0.00 N ATOM 1016 CA THR A 62 -11.561 5.392 -0.703 1.00 0.00 C ATOM 1017 C THR A 62 -11.011 4.077 -0.159 1.00 0.00 C ATOM 1018 O THR A 62 -10.040 4.064 0.596 1.00 0.00 O ATOM 1019 CB THR A 62 -10.618 5.946 -1.773 1.00 0.00 C ATOM 1020 OG1 THR A 62 -10.406 4.991 -2.798 1.00 0.00 O ATOM 1021 CG2 THR A 62 -9.261 6.345 -1.231 1.00 0.00 C ATOM 0 H THR A 62 -10.875 6.648 0.829 1.00 0.00 H new ATOM 0 HA THR A 62 -12.537 5.198 -1.148 1.00 0.00 H new ATOM 0 HB THR A 62 -11.113 6.837 -2.158 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.802 5.365 -3.473 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.643 6.729 -2.043 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.385 7.118 -0.473 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.777 5.475 -0.787 1.00 0.00 H new ATOM 1029 N ASN A 63 -11.630 2.970 -0.559 1.00 0.00 N ATOM 1030 CA ASN A 63 -11.190 1.651 -0.122 1.00 0.00 C ATOM 1031 C ASN A 63 -9.984 1.209 -0.940 1.00 0.00 C ATOM 1032 O ASN A 63 -9.925 1.452 -2.145 1.00 0.00 O ATOM 1033 CB ASN A 63 -12.324 0.634 -0.264 1.00 0.00 C ATOM 1034 CG ASN A 63 -11.945 -0.733 0.270 1.00 0.00 C ATOM 1035 OD1 ASN A 63 -11.243 -0.847 1.275 1.00 0.00 O ATOM 1036 ND2 ASN A 63 -12.407 -1.781 -0.402 1.00 0.00 N ATOM 0 H ASN A 63 -12.436 2.961 -1.184 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.906 1.708 0.929 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.203 0.998 0.268 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.601 0.547 -1.315 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.183 -2.726 -0.090 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -12.986 -1.641 -1.230 1.00 0.00 H new ATOM 1043 N LEU A 64 -9.014 0.583 -0.286 1.00 0.00 N ATOM 1044 CA LEU A 64 -7.811 0.144 -0.979 1.00 0.00 C ATOM 1045 C LEU A 64 -7.304 -1.202 -0.475 1.00 0.00 C ATOM 1046 O LEU A 64 -6.967 -1.355 0.699 1.00 0.00 O ATOM 1047 CB LEU A 64 -6.707 1.191 -0.818 1.00 0.00 C ATOM 1048 CG LEU A 64 -7.013 2.560 -1.430 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -6.624 3.676 -0.472 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -6.291 2.725 -2.760 1.00 0.00 C ATOM 0 H LEU A 64 -9.036 0.370 0.711 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.074 0.026 -2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.506 1.323 0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.793 0.805 -1.270 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.086 2.621 -1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.850 4.641 -0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.186 3.571 0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.557 3.616 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.521 3.704 -3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.216 2.641 -2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.619 1.948 -3.451 1.00 0.00 H new ATOM 1062 N SER A 65 -7.210 -2.158 -1.390 1.00 0.00 N ATOM 1063 CA SER A 65 -6.693 -3.483 -1.076 1.00 0.00 C ATOM 1064 C SER A 65 -5.307 -3.606 -1.693 1.00 0.00 C ATOM 1065 O SER A 65 -5.162 -3.561 -2.915 1.00 0.00 O ATOM 1066 CB SER A 65 -7.621 -4.573 -1.620 1.00 0.00 C ATOM 1067 OG SER A 65 -8.981 -4.212 -1.461 1.00 0.00 O ATOM 0 H SER A 65 -7.488 -2.038 -2.364 1.00 0.00 H new ATOM 0 HA SER A 65 -6.637 -3.613 0.005 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.408 -4.743 -2.675 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.428 -5.512 -1.101 1.00 0.00 H new ATOM 0 HG SER A 65 -9.552 -4.924 -1.818 1.00 0.00 H new ATOM 1073 N LEU A 66 -4.283 -3.697 -0.854 1.00 0.00 N ATOM 1074 CA LEU A 66 -2.913 -3.751 -1.354 1.00 0.00 C ATOM 1075 C LEU A 66 -2.205 -5.062 -1.047 1.00 0.00 C ATOM 1076 O LEU A 66 -2.480 -5.724 -0.045 1.00 0.00 O ATOM 1077 CB LEU A 66 -2.107 -2.594 -0.773 1.00 0.00 C ATOM 1078 CG LEU A 66 -2.884 -1.283 -0.609 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -3.064 -0.943 0.863 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -2.186 -0.147 -1.341 1.00 0.00 C ATOM 0 H LEU A 66 -4.371 -3.735 0.162 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.978 -3.673 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.719 -2.894 0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.246 -2.411 -1.416 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.871 -1.417 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.618 -0.009 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.616 -1.743 1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.087 -0.833 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.755 0.774 -1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.183 -0.014 -0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.119 -0.385 -2.403 1.00 0.00 H new ATOM 1092 N GLN A 67 -1.262 -5.404 -1.922 1.00 0.00 N ATOM 1093 CA GLN A 67 -0.458 -6.608 -1.773 1.00 0.00 C ATOM 1094 C GLN A 67 0.998 -6.220 -1.542 1.00 0.00 C ATOM 1095 O GLN A 67 1.691 -5.793 -2.465 1.00 0.00 O ATOM 1096 CB GLN A 67 -0.579 -7.494 -3.016 1.00 0.00 C ATOM 1097 CG GLN A 67 -2.015 -7.776 -3.427 1.00 0.00 C ATOM 1098 CD GLN A 67 -2.112 -8.457 -4.778 1.00 0.00 C ATOM 1099 OE1 GLN A 67 -2.392 -7.815 -5.790 1.00 0.00 O ATOM 1100 NE2 GLN A 67 -1.879 -9.764 -4.800 1.00 0.00 N ATOM 0 H GLN A 67 -1.036 -4.854 -2.751 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.822 -7.174 -0.915 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.060 -7.014 -3.846 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.072 -8.440 -2.828 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.488 -8.405 -2.673 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.571 -6.839 -3.456 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.650 -10.256 -3.936 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.929 -10.276 -5.681 1.00 0.00 H new ATOM 1109 N PHE A 68 1.445 -6.348 -0.300 1.00 0.00 N ATOM 1110 CA PHE A 68 2.812 -5.987 0.070 1.00 0.00 C ATOM 1111 C PHE A 68 3.679 -7.192 0.402 1.00 0.00 C ATOM 1112 O PHE A 68 3.399 -7.959 1.324 1.00 0.00 O ATOM 1113 CB PHE A 68 2.805 -4.989 1.230 1.00 0.00 C ATOM 1114 CG PHE A 68 1.501 -4.937 1.969 1.00 0.00 C ATOM 1115 CD1 PHE A 68 1.067 -5.995 2.757 1.00 0.00 C ATOM 1116 CD2 PHE A 68 0.697 -3.816 1.855 1.00 0.00 C ATOM 1117 CE1 PHE A 68 -0.143 -5.927 3.414 1.00 0.00 C ATOM 1118 CE2 PHE A 68 -0.511 -3.745 2.508 1.00 0.00 C ATOM 1119 CZ PHE A 68 -0.932 -4.800 3.290 1.00 0.00 C ATOM 0 H PHE A 68 0.880 -6.700 0.473 1.00 0.00 H new ATOM 0 HA PHE A 68 3.260 -5.518 -0.806 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.599 -5.252 1.929 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.035 -3.995 0.845 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.682 -6.877 2.856 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.023 -2.986 1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.474 -6.754 4.025 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.129 -2.865 2.409 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.879 -4.745 3.806 1.00 0.00 H new ATOM 1129 N PHE A 69 4.751 -7.319 -0.367 1.00 0.00 N ATOM 1130 CA PHE A 69 5.728 -8.387 -0.208 1.00 0.00 C ATOM 1131 C PHE A 69 7.046 -7.976 -0.854 1.00 0.00 C ATOM 1132 O PHE A 69 7.061 -7.152 -1.768 1.00 0.00 O ATOM 1133 CB PHE A 69 5.226 -9.687 -0.838 1.00 0.00 C ATOM 1134 CG PHE A 69 4.461 -10.567 0.107 1.00 0.00 C ATOM 1135 CD1 PHE A 69 4.904 -10.770 1.406 1.00 0.00 C ATOM 1136 CD2 PHE A 69 3.301 -11.202 -0.308 1.00 0.00 C ATOM 1137 CE1 PHE A 69 4.204 -11.591 2.269 1.00 0.00 C ATOM 1138 CE2 PHE A 69 2.598 -12.020 0.553 1.00 0.00 C ATOM 1139 CZ PHE A 69 3.051 -12.216 1.842 1.00 0.00 C ATOM 0 H PHE A 69 4.969 -6.676 -1.128 1.00 0.00 H new ATOM 0 HA PHE A 69 5.880 -8.560 0.858 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.589 -9.444 -1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.079 -10.243 -1.227 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.805 -10.281 1.746 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.943 -11.055 -1.316 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.559 -11.743 3.277 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.694 -12.507 0.218 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.503 -12.858 2.516 1.00 0.00 H new ATOM 1149 N PRO A 70 8.172 -8.544 -0.403 1.00 0.00 N ATOM 1150 CA PRO A 70 9.483 -8.219 -0.968 1.00 0.00 C ATOM 1151 C PRO A 70 9.510 -8.414 -2.479 1.00 0.00 C ATOM 1152 O PRO A 70 9.390 -9.535 -2.973 1.00 0.00 O ATOM 1153 CB PRO A 70 10.429 -9.205 -0.278 1.00 0.00 C ATOM 1154 CG PRO A 70 9.732 -9.588 0.984 1.00 0.00 C ATOM 1155 CD PRO A 70 8.262 -9.543 0.677 1.00 0.00 C ATOM 0 HA PRO A 70 9.755 -7.176 -0.805 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.617 -10.076 -0.905 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.396 -8.746 -0.072 1.00 0.00 H new ATOM 0 HG2 PRO A 70 10.032 -10.584 1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.983 -8.901 1.792 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.888 -10.516 0.358 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.678 -9.247 1.548 1.00 0.00 H new ATOM 1163 N ALA A 71 9.657 -7.313 -3.210 1.00 0.00 N ATOM 1164 CA ALA A 71 9.689 -7.355 -4.669 1.00 0.00 C ATOM 1165 C ALA A 71 10.705 -8.373 -5.187 1.00 0.00 C ATOM 1166 O ALA A 71 10.602 -8.838 -6.322 1.00 0.00 O ATOM 1167 CB ALA A 71 9.990 -5.972 -5.227 1.00 0.00 C ATOM 0 H ALA A 71 9.756 -6.378 -2.815 1.00 0.00 H new ATOM 0 HA ALA A 71 8.705 -7.673 -5.013 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.011 -6.016 -6.316 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.216 -5.274 -4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.958 -5.634 -4.858 1.00 0.00 H new ATOM 1173 N SER A 72 11.686 -8.714 -4.356 1.00 0.00 N ATOM 1174 CA SER A 72 12.715 -9.674 -4.745 1.00 0.00 C ATOM 1175 C SER A 72 12.352 -11.090 -4.300 1.00 0.00 C ATOM 1176 O SER A 72 13.215 -11.852 -3.866 1.00 0.00 O ATOM 1177 CB SER A 72 14.065 -9.271 -4.147 1.00 0.00 C ATOM 1178 OG SER A 72 14.198 -7.862 -4.091 1.00 0.00 O ATOM 0 H SER A 72 11.790 -8.341 -3.412 1.00 0.00 H new ATOM 0 HA SER A 72 12.784 -9.667 -5.833 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.161 -9.689 -3.145 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.872 -9.692 -4.747 1.00 0.00 H new ATOM 0 HG SER A 72 15.068 -7.631 -3.704 1.00 0.00 H new ATOM 1319 N PRO A 81 6.592 -12.767 5.369 1.00 0.00 N ATOM 1320 CA PRO A 81 6.874 -11.396 4.945 1.00 0.00 C ATOM 1321 C PRO A 81 8.024 -10.760 5.711 1.00 0.00 C ATOM 1322 O PRO A 81 8.228 -11.034 6.893 1.00 0.00 O ATOM 1323 CB PRO A 81 5.564 -10.643 5.238 1.00 0.00 C ATOM 1324 CG PRO A 81 4.658 -11.636 5.896 1.00 0.00 C ATOM 1325 CD PRO A 81 5.150 -12.991 5.475 1.00 0.00 C ATOM 0 HA PRO A 81 7.180 -11.364 3.899 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.743 -9.787 5.888 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.121 -10.259 4.319 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.686 -11.531 6.981 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.624 -11.484 5.588 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.909 -13.760 6.209 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.715 -13.308 4.527 1.00 0.00 H new ATOM 1333 N SER A 82 8.760 -9.896 5.027 1.00 0.00 N ATOM 1334 CA SER A 82 9.880 -9.198 5.638 1.00 0.00 C ATOM 1335 C SER A 82 9.450 -7.798 6.051 1.00 0.00 C ATOM 1336 O SER A 82 8.447 -7.282 5.559 1.00 0.00 O ATOM 1337 CB SER A 82 11.059 -9.122 4.667 1.00 0.00 C ATOM 1338 OG SER A 82 11.090 -10.250 3.810 1.00 0.00 O ATOM 0 H SER A 82 8.601 -9.662 4.047 1.00 0.00 H new ATOM 0 HA SER A 82 10.198 -9.751 6.522 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.985 -8.212 4.072 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.992 -9.062 5.227 1.00 0.00 H new ATOM 0 HG SER A 82 11.852 -10.175 3.198 1.00 0.00 H new ATOM 1344 N ARG A 83 10.207 -7.179 6.949 1.00 0.00 N ATOM 1345 CA ARG A 83 9.878 -5.832 7.408 1.00 0.00 C ATOM 1346 C ARG A 83 10.138 -4.799 6.308 1.00 0.00 C ATOM 1347 O ARG A 83 9.850 -3.615 6.481 1.00 0.00 O ATOM 1348 CB ARG A 83 10.655 -5.468 8.680 1.00 0.00 C ATOM 1349 CG ARG A 83 11.157 -6.665 9.476 1.00 0.00 C ATOM 1350 CD ARG A 83 11.046 -6.419 10.971 1.00 0.00 C ATOM 1351 NE ARG A 83 11.561 -7.541 11.752 1.00 0.00 N ATOM 1352 CZ ARG A 83 10.863 -8.642 12.019 1.00 0.00 C ATOM 1353 NH1 ARG A 83 9.624 -8.780 11.562 1.00 0.00 N ATOM 1354 NH2 ARG A 83 11.404 -9.610 12.744 1.00 0.00 N ATOM 0 H ARG A 83 11.044 -7.581 7.371 1.00 0.00 H new ATOM 0 HA ARG A 83 8.815 -5.820 7.648 1.00 0.00 H new ATOM 0 HB2 ARG A 83 11.507 -4.847 8.405 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.014 -4.863 9.322 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.581 -7.551 9.207 1.00 0.00 H new ATOM 0 HG3 ARG A 83 12.195 -6.869 9.215 1.00 0.00 H new ATOM 0 HD2 ARG A 83 11.596 -5.514 11.231 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.002 -6.244 11.233 1.00 0.00 H new ATOM 0 HE ARG A 83 12.512 -7.477 12.114 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.201 -8.039 11.002 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.095 -9.627 11.771 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.356 -9.511 13.098 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.869 -10.454 12.949 1.00 0.00 H new ATOM 1368 N GLU A 84 10.666 -5.255 5.171 1.00 0.00 N ATOM 1369 CA GLU A 84 10.938 -4.371 4.043 1.00 0.00 C ATOM 1370 C GLU A 84 9.654 -3.715 3.567 1.00 0.00 C ATOM 1371 O GLU A 84 9.573 -2.491 3.456 1.00 0.00 O ATOM 1372 CB GLU A 84 11.580 -5.156 2.896 1.00 0.00 C ATOM 1373 CG GLU A 84 13.072 -5.383 3.075 1.00 0.00 C ATOM 1374 CD GLU A 84 13.593 -6.529 2.232 1.00 0.00 C ATOM 1375 OE1 GLU A 84 12.904 -6.917 1.265 1.00 0.00 O ATOM 1376 OE2 GLU A 84 14.690 -7.041 2.539 1.00 0.00 O ATOM 0 H GLU A 84 10.913 -6.231 5.010 1.00 0.00 H new ATOM 0 HA GLU A 84 11.630 -3.595 4.370 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.082 -6.121 2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.412 -4.621 1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.608 -4.471 2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.281 -5.585 4.125 1.00 0.00 H new ATOM 1383 N TYR A 85 8.652 -4.537 3.289 1.00 0.00 N ATOM 1384 CA TYR A 85 7.369 -4.037 2.826 1.00 0.00 C ATOM 1385 C TYR A 85 6.310 -4.188 3.911 1.00 0.00 C ATOM 1386 O TYR A 85 5.356 -3.421 3.967 1.00 0.00 O ATOM 1387 CB TYR A 85 6.951 -4.757 1.548 1.00 0.00 C ATOM 1388 CG TYR A 85 7.701 -4.267 0.330 1.00 0.00 C ATOM 1389 CD1 TYR A 85 9.076 -4.053 0.375 1.00 0.00 C ATOM 1390 CD2 TYR A 85 7.037 -4.015 -0.863 1.00 0.00 C ATOM 1391 CE1 TYR A 85 9.763 -3.605 -0.738 1.00 0.00 C ATOM 1392 CE2 TYR A 85 7.718 -3.567 -1.979 1.00 0.00 C ATOM 1393 CZ TYR A 85 9.080 -3.364 -1.911 1.00 0.00 C ATOM 1394 OH TYR A 85 9.761 -2.918 -3.020 1.00 0.00 O ATOM 0 H TYR A 85 8.704 -5.552 3.376 1.00 0.00 H new ATOM 0 HA TYR A 85 7.469 -2.975 2.602 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.120 -5.827 1.667 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.881 -4.618 1.391 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.614 -4.240 1.293 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.970 -4.172 -0.920 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.830 -3.445 -0.689 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.186 -3.377 -2.900 1.00 0.00 H new ATOM 0 HH TYR A 85 9.133 -2.799 -3.763 1.00 0.00 H new ATOM 1404 N VAL A 86 6.503 -5.161 4.793 1.00 0.00 N ATOM 1405 CA VAL A 86 5.579 -5.376 5.899 1.00 0.00 C ATOM 1406 C VAL A 86 6.349 -5.620 7.185 1.00 0.00 C ATOM 1407 O VAL A 86 6.957 -6.674 7.374 1.00 0.00 O ATOM 1408 CB VAL A 86 4.615 -6.554 5.672 1.00 0.00 C ATOM 1409 CG1 VAL A 86 3.233 -6.053 5.287 1.00 0.00 C ATOM 1410 CG2 VAL A 86 5.151 -7.518 4.626 1.00 0.00 C ATOM 0 H VAL A 86 7.288 -5.811 4.764 1.00 0.00 H new ATOM 0 HA VAL A 86 4.979 -4.469 5.969 1.00 0.00 H new ATOM 0 HB VAL A 86 4.533 -7.100 6.612 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.568 -6.903 5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.838 -5.425 6.086 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.300 -5.472 4.367 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.445 -8.338 4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.282 -6.992 3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.111 -7.916 4.956 1.00 0.00 H new ATOM 1420 N ASP A 87 6.309 -4.636 8.064 1.00 0.00 N ATOM 1421 CA ASP A 87 6.998 -4.711 9.343 1.00 0.00 C ATOM 1422 C ASP A 87 5.997 -4.708 10.486 1.00 0.00 C ATOM 1423 O ASP A 87 4.932 -4.101 10.387 1.00 0.00 O ATOM 1424 CB ASP A 87 7.965 -3.530 9.489 1.00 0.00 C ATOM 1425 CG ASP A 87 8.627 -3.470 10.856 1.00 0.00 C ATOM 1426 OD1 ASP A 87 7.899 -3.358 11.865 1.00 0.00 O ATOM 1427 OD2 ASP A 87 9.873 -3.526 10.918 1.00 0.00 O ATOM 0 H ASP A 87 5.801 -3.764 7.914 1.00 0.00 H new ATOM 0 HA ASP A 87 7.565 -5.641 9.379 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.735 -3.601 8.721 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.424 -2.600 9.312 1.00 0.00 H new ATOM 1515 N GLY A 93 4.364 1.999 17.749 1.00 0.00 N ATOM 1516 CA GLY A 93 3.593 0.887 18.274 1.00 0.00 C ATOM 1517 C GLY A 93 2.523 0.421 17.304 1.00 0.00 C ATOM 1518 O GLY A 93 1.528 -0.183 17.704 1.00 0.00 O ATOM 0 HA2 GLY A 93 4.263 0.057 18.499 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.125 1.183 19.213 1.00 0.00 H new ATOM 1522 N LYS A 94 2.738 0.699 16.023 1.00 0.00 N ATOM 1523 CA LYS A 94 1.803 0.310 14.975 1.00 0.00 C ATOM 1524 C LYS A 94 2.546 -0.463 13.891 1.00 0.00 C ATOM 1525 O LYS A 94 3.764 -0.628 13.967 1.00 0.00 O ATOM 1526 CB LYS A 94 1.120 1.543 14.364 1.00 0.00 C ATOM 1527 CG LYS A 94 1.185 2.784 15.243 1.00 0.00 C ATOM 1528 CD LYS A 94 0.288 2.649 16.463 1.00 0.00 C ATOM 1529 CE LYS A 94 0.813 3.465 17.633 1.00 0.00 C ATOM 1530 NZ LYS A 94 0.378 2.904 18.942 1.00 0.00 N ATOM 0 H LYS A 94 3.561 1.198 15.684 1.00 0.00 H new ATOM 0 HA LYS A 94 1.032 -0.324 15.414 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.585 1.765 13.404 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.075 1.306 14.164 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.213 2.951 15.563 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.885 3.658 14.664 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.721 2.977 16.212 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.219 1.600 16.751 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.902 3.495 17.595 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.463 4.493 17.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.757 3.489 19.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.661 2.899 18.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.734 1.932 19.038 1.00 0.00 H new ATOM 1544 N VAL A 95 1.821 -0.937 12.887 1.00 0.00 N ATOM 1545 CA VAL A 95 2.440 -1.691 11.803 1.00 0.00 C ATOM 1546 C VAL A 95 2.235 -1.000 10.456 1.00 0.00 C ATOM 1547 O VAL A 95 1.106 -0.849 9.990 1.00 0.00 O ATOM 1548 CB VAL A 95 1.892 -3.138 11.743 1.00 0.00 C ATOM 1549 CG1 VAL A 95 0.394 -3.154 12.000 1.00 0.00 C ATOM 1550 CG2 VAL A 95 2.216 -3.803 10.408 1.00 0.00 C ATOM 0 H VAL A 95 0.812 -0.815 12.799 1.00 0.00 H new ATOM 0 HA VAL A 95 3.509 -1.732 12.011 1.00 0.00 H new ATOM 0 HB VAL A 95 2.385 -3.712 12.527 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.028 -4.180 11.954 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.190 -2.740 12.987 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.111 -2.554 11.243 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.817 -4.817 10.400 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.766 -3.230 9.597 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.297 -3.838 10.272 1.00 0.00 H new ATOM 1560 N TYR A 96 3.342 -0.605 9.829 1.00 0.00 N ATOM 1561 CA TYR A 96 3.298 0.048 8.521 1.00 0.00 C ATOM 1562 C TYR A 96 3.884 -0.840 7.435 1.00 0.00 C ATOM 1563 O TYR A 96 4.882 -1.528 7.645 1.00 0.00 O ATOM 1564 CB TYR A 96 4.009 1.412 8.520 1.00 0.00 C ATOM 1565 CG TYR A 96 4.967 1.650 9.670 1.00 0.00 C ATOM 1566 CD1 TYR A 96 5.957 0.734 10.001 1.00 0.00 C ATOM 1567 CD2 TYR A 96 4.871 2.811 10.424 1.00 0.00 C ATOM 1568 CE1 TYR A 96 6.822 0.972 11.055 1.00 0.00 C ATOM 1569 CE2 TYR A 96 5.730 3.058 11.473 1.00 0.00 C ATOM 1570 CZ TYR A 96 6.704 2.136 11.786 1.00 0.00 C ATOM 1571 OH TYR A 96 7.559 2.380 12.834 1.00 0.00 O ATOM 0 H TYR A 96 4.282 -0.726 10.206 1.00 0.00 H new ATOM 0 HA TYR A 96 2.244 0.221 8.306 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.559 1.514 7.585 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.252 2.196 8.532 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.053 -0.176 9.428 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.107 3.536 10.184 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.586 0.250 11.304 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.640 3.969 12.046 1.00 0.00 H new ATOM 0 HH TYR A 96 7.340 3.244 13.241 1.00 0.00 H new ATOM 1581 N LEU A 97 3.247 -0.815 6.269 1.00 0.00 N ATOM 1582 CA LEU A 97 3.694 -1.613 5.140 1.00 0.00 C ATOM 1583 C LEU A 97 3.572 -0.831 3.836 1.00 0.00 C ATOM 1584 O LEU A 97 2.760 0.088 3.723 1.00 0.00 O ATOM 1585 CB LEU A 97 2.895 -2.920 5.050 1.00 0.00 C ATOM 1586 CG LEU A 97 1.380 -2.794 5.269 1.00 0.00 C ATOM 1587 CD1 LEU A 97 1.057 -2.391 6.702 1.00 0.00 C ATOM 1588 CD2 LEU A 97 0.781 -1.798 4.294 1.00 0.00 C ATOM 0 H LEU A 97 2.419 -0.249 6.084 1.00 0.00 H new ATOM 0 HA LEU A 97 4.745 -1.856 5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.066 -3.361 4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.293 -3.618 5.786 1.00 0.00 H new ATOM 0 HG LEU A 97 0.937 -3.773 5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.023 -2.311 6.823 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.444 -3.145 7.388 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.519 -1.429 6.922 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.293 -1.723 4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.242 -0.821 4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.963 -2.134 3.273 1.00 0.00 H new ATOM 1600 N LYS A 98 4.388 -1.214 2.857 1.00 0.00 N ATOM 1601 CA LYS A 98 4.392 -0.574 1.547 1.00 0.00 C ATOM 1602 C LYS A 98 4.058 -1.592 0.464 1.00 0.00 C ATOM 1603 O LYS A 98 4.702 -2.636 0.366 1.00 0.00 O ATOM 1604 CB LYS A 98 5.760 0.047 1.258 1.00 0.00 C ATOM 1605 CG LYS A 98 6.370 0.769 2.449 1.00 0.00 C ATOM 1606 CD LYS A 98 7.369 1.829 2.006 1.00 0.00 C ATOM 1607 CE LYS A 98 8.761 1.548 2.549 1.00 0.00 C ATOM 1608 NZ LYS A 98 9.808 2.313 1.818 1.00 0.00 N ATOM 0 H LYS A 98 5.062 -1.974 2.950 1.00 0.00 H new ATOM 0 HA LYS A 98 3.638 0.213 1.548 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.443 -0.737 0.932 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.662 0.749 0.430 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.580 1.235 3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.867 0.048 3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.403 1.865 0.917 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.036 2.809 2.347 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.796 1.805 3.608 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.972 0.481 2.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.742 2.093 2.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.792 2.049 0.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.622 3.332 1.912 1.00 0.00 H new ATOM 1622 N ALA A 99 3.052 -1.288 -0.345 1.00 0.00 N ATOM 1623 CA ALA A 99 2.644 -2.191 -1.413 1.00 0.00 C ATOM 1624 C ALA A 99 2.838 -1.552 -2.787 1.00 0.00 C ATOM 1625 O ALA A 99 2.520 -0.379 -2.984 1.00 0.00 O ATOM 1626 CB ALA A 99 1.194 -2.606 -1.223 1.00 0.00 C ATOM 0 H ALA A 99 2.506 -0.429 -0.283 1.00 0.00 H new ATOM 0 HA ALA A 99 3.277 -3.077 -1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.900 -3.281 -2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.083 -3.114 -0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.557 -1.722 -1.241 1.00 0.00 H new ATOM 1632 N PRO A 100 3.355 -2.321 -3.763 1.00 0.00 N ATOM 1633 CA PRO A 100 3.579 -1.835 -5.115 1.00 0.00 C ATOM 1634 C PRO A 100 2.369 -2.092 -6.007 1.00 0.00 C ATOM 1635 O PRO A 100 2.000 -3.241 -6.250 1.00 0.00 O ATOM 1636 CB PRO A 100 4.777 -2.669 -5.569 1.00 0.00 C ATOM 1637 CG PRO A 100 4.661 -3.966 -4.825 1.00 0.00 C ATOM 1638 CD PRO A 100 3.763 -3.729 -3.630 1.00 0.00 C ATOM 0 HA PRO A 100 3.747 -0.759 -5.164 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.758 -2.831 -6.647 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.716 -2.166 -5.339 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.245 -4.741 -5.469 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.643 -4.312 -4.503 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.901 -4.397 -3.640 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.291 -3.904 -2.693 1.00 0.00 H new ATOM 1646 N MET A 101 1.742 -1.018 -6.477 1.00 0.00 N ATOM 1647 CA MET A 101 0.560 -1.136 -7.323 1.00 0.00 C ATOM 1648 C MET A 101 0.688 -0.286 -8.579 1.00 0.00 C ATOM 1649 O MET A 101 1.556 0.583 -8.672 1.00 0.00 O ATOM 1650 CB MET A 101 -0.688 -0.710 -6.544 1.00 0.00 C ATOM 1651 CG MET A 101 -1.395 -1.859 -5.846 1.00 0.00 C ATOM 1652 SD MET A 101 -2.277 -1.334 -4.362 1.00 0.00 S ATOM 1653 CE MET A 101 -3.589 -0.338 -5.069 1.00 0.00 C ATOM 0 H MET A 101 2.032 -0.059 -6.287 1.00 0.00 H new ATOM 0 HA MET A 101 0.469 -2.180 -7.623 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.405 0.035 -5.801 1.00 0.00 H new ATOM 0 HB3 MET A 101 -1.386 -0.228 -7.229 1.00 0.00 H new ATOM 0 HG2 MET A 101 -2.099 -2.321 -6.538 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.664 -2.622 -5.579 1.00 0.00 H new ATOM 0 HE1 MET A 101 -4.218 0.055 -4.270 1.00 0.00 H new ATOM 0 HE2 MET A 101 -3.155 0.490 -5.630 1.00 0.00 H new ATOM 0 HE3 MET A 101 -4.193 -0.953 -5.737 1.00 0.00 H new ATOM 1663 N ILE A 102 -0.197 -0.534 -9.535 1.00 0.00 N ATOM 1664 CA ILE A 102 -0.206 0.215 -10.782 1.00 0.00 C ATOM 1665 C ILE A 102 -1.413 1.145 -10.827 1.00 0.00 C ATOM 1666 O ILE A 102 -2.544 0.703 -11.029 1.00 0.00 O ATOM 1667 CB ILE A 102 -0.237 -0.724 -12.006 1.00 0.00 C ATOM 1668 CG1 ILE A 102 0.983 -1.648 -11.998 1.00 0.00 C ATOM 1669 CG2 ILE A 102 -0.292 0.079 -13.300 1.00 0.00 C ATOM 1670 CD1 ILE A 102 2.289 -0.927 -12.253 1.00 0.00 C ATOM 0 H ILE A 102 -0.920 -1.251 -9.469 1.00 0.00 H new ATOM 0 HA ILE A 102 0.713 0.800 -10.821 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.137 -1.336 -11.948 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.039 -2.154 -11.034 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.849 -2.420 -12.756 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.313 -0.602 -14.150 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.190 0.696 -13.307 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.588 0.718 -13.369 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.110 -1.644 -12.233 1.00 0.00 H new ATOM 0 HD12 ILE A 102 2.253 -0.443 -13.229 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.446 -0.174 -11.481 1.00 0.00 H new ATOM 1682 N LEU A 103 -1.163 2.433 -10.639 1.00 0.00 N ATOM 1683 CA LEU A 103 -2.230 3.430 -10.658 1.00 0.00 C ATOM 1684 C LEU A 103 -2.235 4.169 -11.987 1.00 0.00 C ATOM 1685 O LEU A 103 -1.198 4.317 -12.605 1.00 0.00 O ATOM 1686 CB LEU A 103 -2.062 4.421 -9.507 1.00 0.00 C ATOM 1687 CG LEU A 103 -2.652 3.969 -8.171 1.00 0.00 C ATOM 1688 CD1 LEU A 103 -2.371 5.000 -7.087 1.00 0.00 C ATOM 1689 CD2 LEU A 103 -4.148 3.731 -8.305 1.00 0.00 C ATOM 0 H LEU A 103 -0.232 2.814 -10.471 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.183 2.916 -10.535 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.999 4.617 -9.369 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.526 5.366 -9.791 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.177 3.031 -7.884 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.798 4.661 -6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.294 5.125 -6.974 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.819 5.953 -7.367 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.553 3.410 -7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.637 4.655 -8.614 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.328 2.958 -9.052 1.00 0.00 H new ATOM 1701 N ASN A 104 -3.413 4.619 -12.416 1.00 0.00 N ATOM 1702 CA ASN A 104 -3.580 5.342 -13.689 1.00 0.00 C ATOM 1703 C ASN A 104 -2.271 5.494 -14.482 1.00 0.00 C ATOM 1704 O ASN A 104 -1.665 6.565 -14.503 1.00 0.00 O ATOM 1705 CB ASN A 104 -4.170 6.725 -13.417 1.00 0.00 C ATOM 1706 CG ASN A 104 -5.620 6.660 -12.979 1.00 0.00 C ATOM 1707 OD1 ASN A 104 -6.381 5.808 -13.438 1.00 0.00 O ATOM 1708 ND2 ASN A 104 -6.010 7.562 -12.086 1.00 0.00 N ATOM 0 H ASN A 104 -4.282 4.496 -11.896 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.254 4.744 -14.302 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.582 7.222 -12.645 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -4.093 7.333 -14.318 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -6.974 7.567 -11.754 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -5.345 8.250 -11.732 1.00 0.00 H new ATOM 1715 N GLY A 105 -1.862 4.413 -15.148 1.00 0.00 N ATOM 1716 CA GLY A 105 -0.649 4.425 -15.960 1.00 0.00 C ATOM 1717 C GLY A 105 0.559 5.025 -15.259 1.00 0.00 C ATOM 1718 O GLY A 105 1.204 5.925 -15.793 1.00 0.00 O ATOM 0 H GLY A 105 -2.354 3.520 -15.140 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.413 3.403 -16.257 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.842 4.987 -16.874 1.00 0.00 H new ATOM 1722 N VAL A 106 0.861 4.521 -14.067 1.00 0.00 N ATOM 1723 CA VAL A 106 1.989 4.998 -13.279 1.00 0.00 C ATOM 1724 C VAL A 106 2.339 3.978 -12.204 1.00 0.00 C ATOM 1725 O VAL A 106 1.468 3.257 -11.716 1.00 0.00 O ATOM 1726 CB VAL A 106 1.669 6.344 -12.591 1.00 0.00 C ATOM 1727 CG1 VAL A 106 2.804 6.766 -11.667 1.00 0.00 C ATOM 1728 CG2 VAL A 106 1.391 7.422 -13.622 1.00 0.00 C ATOM 0 H VAL A 106 0.331 3.772 -13.622 1.00 0.00 H new ATOM 0 HA VAL A 106 2.828 5.139 -13.960 1.00 0.00 H new ATOM 0 HB VAL A 106 0.772 6.208 -11.987 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.555 7.716 -11.195 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.950 6.006 -10.899 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.721 6.878 -12.245 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.168 8.361 -13.115 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.267 7.552 -14.258 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.538 7.129 -14.234 1.00 0.00 H new ATOM 1738 N CYS A 107 3.606 3.936 -11.817 1.00 0.00 N ATOM 1739 CA CYS A 107 4.035 3.016 -10.776 1.00 0.00 C ATOM 1740 C CYS A 107 3.893 3.697 -9.424 1.00 0.00 C ATOM 1741 O CYS A 107 4.538 4.712 -9.160 1.00 0.00 O ATOM 1742 CB CYS A 107 5.480 2.566 -11.011 1.00 0.00 C ATOM 1743 SG CYS A 107 5.992 1.162 -9.994 1.00 0.00 S ATOM 0 H CYS A 107 4.347 4.521 -12.203 1.00 0.00 H new ATOM 0 HA CYS A 107 3.407 2.125 -10.798 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.601 2.303 -12.062 1.00 0.00 H new ATOM 0 HB3 CYS A 107 6.147 3.405 -10.814 1.00 0.00 H new ATOM 0 HG CYS A 107 7.226 0.856 -10.266 1.00 0.00 H new ATOM 1749 N VAL A 108 3.015 3.163 -8.583 1.00 0.00 N ATOM 1750 CA VAL A 108 2.764 3.760 -7.282 1.00 0.00 C ATOM 1751 C VAL A 108 3.166 2.849 -6.129 1.00 0.00 C ATOM 1752 O VAL A 108 3.333 1.641 -6.294 1.00 0.00 O ATOM 1753 CB VAL A 108 1.279 4.133 -7.140 1.00 0.00 C ATOM 1754 CG1 VAL A 108 0.923 5.251 -8.109 1.00 0.00 C ATOM 1755 CG2 VAL A 108 0.399 2.914 -7.377 1.00 0.00 C ATOM 0 H VAL A 108 2.470 2.324 -8.779 1.00 0.00 H new ATOM 0 HA VAL A 108 3.383 4.656 -7.228 1.00 0.00 H new ATOM 0 HB VAL A 108 1.103 4.487 -6.124 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.131 5.506 -7.999 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.533 6.128 -7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.112 4.921 -9.131 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.649 3.196 -7.273 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.573 2.530 -8.382 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.642 2.142 -6.646 1.00 0.00 H new ATOM 1765 N ILE A 109 3.316 3.458 -4.959 1.00 0.00 N ATOM 1766 CA ILE A 109 3.695 2.748 -3.746 1.00 0.00 C ATOM 1767 C ILE A 109 2.920 3.292 -2.553 1.00 0.00 C ATOM 1768 O ILE A 109 3.180 4.403 -2.091 1.00 0.00 O ATOM 1769 CB ILE A 109 5.203 2.891 -3.457 1.00 0.00 C ATOM 1770 CG1 ILE A 109 6.025 2.695 -4.739 1.00 0.00 C ATOM 1771 CG2 ILE A 109 5.627 1.898 -2.384 1.00 0.00 C ATOM 1772 CD1 ILE A 109 7.517 2.604 -4.497 1.00 0.00 C ATOM 0 H ILE A 109 3.178 4.460 -4.826 1.00 0.00 H new ATOM 0 HA ILE A 109 3.461 1.695 -3.900 1.00 0.00 H new ATOM 0 HB ILE A 109 5.393 3.900 -3.090 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.691 1.786 -5.239 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.826 3.524 -5.418 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.694 2.008 -2.188 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.068 2.091 -1.468 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.424 0.883 -2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.032 2.466 -5.448 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.866 3.523 -4.025 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.729 1.758 -3.843 1.00 0.00 H new ATOM 1784 N TRP A 110 1.965 2.515 -2.058 1.00 0.00 N ATOM 1785 CA TRP A 110 1.160 2.940 -0.919 1.00 0.00 C ATOM 1786 C TRP A 110 1.742 2.417 0.389 1.00 0.00 C ATOM 1787 O TRP A 110 1.870 1.209 0.584 1.00 0.00 O ATOM 1788 CB TRP A 110 -0.284 2.458 -1.072 1.00 0.00 C ATOM 1789 CG TRP A 110 -1.174 2.878 0.061 1.00 0.00 C ATOM 1790 CD1 TRP A 110 -1.979 3.981 0.112 1.00 0.00 C ATOM 1791 CD2 TRP A 110 -1.343 2.202 1.313 1.00 0.00 C ATOM 1792 NE1 TRP A 110 -2.638 4.029 1.317 1.00 0.00 N ATOM 1793 CE2 TRP A 110 -2.264 2.949 2.071 1.00 0.00 C ATOM 1794 CE3 TRP A 110 -0.807 1.036 1.865 1.00 0.00 C ATOM 1795 CZ2 TRP A 110 -2.659 2.567 3.352 1.00 0.00 C ATOM 1796 CZ3 TRP A 110 -1.200 0.660 3.135 1.00 0.00 C ATOM 1797 CH2 TRP A 110 -2.117 1.422 3.866 1.00 0.00 C ATOM 0 H TRP A 110 1.729 1.593 -2.424 1.00 0.00 H new ATOM 0 HA TRP A 110 1.171 4.030 -0.893 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.691 2.844 -2.007 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.291 1.371 -1.146 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -2.082 4.709 -0.679 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -3.298 4.752 1.603 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.099 0.440 1.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -3.367 3.154 3.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.791 -0.239 3.572 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.403 1.099 4.856 1.00 0.00 H new ATOM 1808 N LYS A 111 2.086 3.335 1.284 1.00 0.00 N ATOM 1809 CA LYS A 111 2.646 2.969 2.574 1.00 0.00 C ATOM 1810 C LYS A 111 1.845 3.614 3.699 1.00 0.00 C ATOM 1811 O LYS A 111 1.470 4.783 3.617 1.00 0.00 O ATOM 1812 CB LYS A 111 4.118 3.385 2.649 1.00 0.00 C ATOM 1813 CG LYS A 111 4.703 3.338 4.050 1.00 0.00 C ATOM 1814 CD LYS A 111 4.424 4.627 4.801 1.00 0.00 C ATOM 1815 CE LYS A 111 4.078 4.362 6.257 1.00 0.00 C ATOM 1816 NZ LYS A 111 5.258 4.539 7.150 1.00 0.00 N ATOM 0 H LYS A 111 1.986 4.339 1.137 1.00 0.00 H new ATOM 0 HA LYS A 111 2.589 1.887 2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 111 4.703 2.733 2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 111 4.219 4.397 2.258 1.00 0.00 H new ATOM 0 HG2 LYS A 111 4.279 2.496 4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 111 5.779 3.172 3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 111 5.297 5.277 4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 111 3.601 5.157 4.322 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.282 5.037 6.570 1.00 0.00 H new ATOM 0 HE3 LYS A 111 3.694 3.347 6.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 5.100 4.026 8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 6.108 4.165 6.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 5.391 5.550 7.353 1.00 0.00 H new ATOM 1830 N GLY A 112 1.583 2.843 4.748 1.00 0.00 N ATOM 1831 CA GLY A 112 0.823 3.364 5.873 1.00 0.00 C ATOM 1832 C GLY A 112 0.774 2.401 7.041 1.00 0.00 C ATOM 1833 O GLY A 112 0.946 1.196 6.862 1.00 0.00 O ATOM 0 H GLY A 112 1.880 1.872 4.841 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.266 4.304 6.201 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.193 3.586 5.548 1.00 0.00 H new ATOM 1837 N TRP A 113 0.545 2.930 8.242 1.00 0.00 N ATOM 1838 CA TRP A 113 0.482 2.095 9.435 1.00 0.00 C ATOM 1839 C TRP A 113 -0.891 2.131 10.088 1.00 0.00 C ATOM 1840 O TRP A 113 -1.626 3.115 9.982 1.00 0.00 O ATOM 1841 CB TRP A 113 1.536 2.520 10.461 1.00 0.00 C ATOM 1842 CG TRP A 113 1.359 3.917 10.974 1.00 0.00 C ATOM 1843 CD1 TRP A 113 2.083 5.018 10.618 1.00 0.00 C ATOM 1844 CD2 TRP A 113 0.408 4.360 11.948 1.00 0.00 C ATOM 1845 NE1 TRP A 113 1.637 6.119 11.306 1.00 0.00 N ATOM 1846 CE2 TRP A 113 0.609 5.741 12.129 1.00 0.00 C ATOM 1847 CE3 TRP A 113 -0.596 3.724 12.683 1.00 0.00 C ATOM 1848 CZ2 TRP A 113 -0.157 6.495 13.015 1.00 0.00 C ATOM 1849 CZ3 TRP A 113 -1.354 4.473 13.562 1.00 0.00 C ATOM 1850 CH2 TRP A 113 -1.131 5.846 13.721 1.00 0.00 C ATOM 0 H TRP A 113 0.401 3.925 8.412 1.00 0.00 H new ATOM 0 HA TRP A 113 0.682 1.075 9.107 1.00 0.00 H new ATOM 0 HB2 TRP A 113 1.508 1.828 11.303 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.524 2.432 10.009 1.00 0.00 H new ATOM 0 HD1 TRP A 113 2.889 5.022 9.900 1.00 0.00 H new ATOM 0 HE1 TRP A 113 2.010 7.064 11.219 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.776 2.666 12.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 0.013 7.554 13.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -2.132 3.991 14.136 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.741 6.404 14.416 1.00 0.00 H new ATOM 1861 N ILE A 114 -1.207 1.050 10.790 1.00 0.00 N ATOM 1862 CA ILE A 114 -2.466 0.927 11.509 1.00 0.00 C ATOM 1863 C ILE A 114 -2.169 0.636 12.971 1.00 0.00 C ATOM 1864 O ILE A 114 -1.214 -0.077 13.280 1.00 0.00 O ATOM 1865 CB ILE A 114 -3.369 -0.203 10.953 1.00 0.00 C ATOM 1866 CG1 ILE A 114 -3.014 -0.547 9.501 1.00 0.00 C ATOM 1867 CG2 ILE A 114 -4.833 0.200 11.054 1.00 0.00 C ATOM 1868 CD1 ILE A 114 -3.000 0.654 8.580 1.00 0.00 C ATOM 0 H ILE A 114 -0.598 0.236 10.876 1.00 0.00 H new ATOM 0 HA ILE A 114 -3.004 1.867 11.386 1.00 0.00 H new ATOM 0 HB ILE A 114 -3.198 -1.094 11.557 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -2.034 -1.023 9.478 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.731 -1.276 9.123 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.459 -0.601 10.661 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -5.089 0.381 12.098 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.001 1.109 10.476 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.741 0.335 7.570 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.986 1.118 8.572 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.262 1.375 8.933 1.00 0.00 H new ATOM 1880 N ASP A 115 -2.976 1.179 13.872 1.00 0.00 N ATOM 1881 CA ASP A 115 -2.754 0.950 15.289 1.00 0.00 C ATOM 1882 C ASP A 115 -3.430 -0.348 15.717 1.00 0.00 C ATOM 1883 O ASP A 115 -4.553 -0.647 15.308 1.00 0.00 O ATOM 1884 CB ASP A 115 -3.249 2.143 16.116 1.00 0.00 C ATOM 1885 CG ASP A 115 -4.690 2.011 16.548 1.00 0.00 C ATOM 1886 OD1 ASP A 115 -4.925 1.436 17.629 1.00 0.00 O ATOM 1887 OD2 ASP A 115 -5.582 2.480 15.810 1.00 0.00 O ATOM 0 H ASP A 115 -3.777 1.771 13.651 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.684 0.852 15.470 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -2.620 2.250 17.000 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.134 3.055 15.531 1.00 0.00 H new ATOM 1892 N LEU A 116 -2.712 -1.133 16.509 1.00 0.00 N ATOM 1893 CA LEU A 116 -3.194 -2.431 16.965 1.00 0.00 C ATOM 1894 C LEU A 116 -4.262 -2.334 18.058 1.00 0.00 C ATOM 1895 O LEU A 116 -4.610 -3.343 18.672 1.00 0.00 O ATOM 1896 CB LEU A 116 -2.009 -3.262 17.460 1.00 0.00 C ATOM 1897 CG LEU A 116 -0.761 -3.189 16.570 1.00 0.00 C ATOM 1898 CD1 LEU A 116 0.494 -2.983 17.409 1.00 0.00 C ATOM 1899 CD2 LEU A 116 -0.638 -4.443 15.714 1.00 0.00 C ATOM 0 H LEU A 116 -1.783 -0.890 16.853 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.673 -2.914 16.113 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -1.743 -2.930 18.464 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.321 -4.303 17.541 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.867 -2.331 15.907 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.365 -2.935 16.755 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.408 -2.052 17.969 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.608 -3.815 18.104 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.253 -4.372 15.090 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.560 -5.318 16.359 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.519 -4.538 15.079 1.00 0.00 H new ATOM 1911 N HIS A 117 -4.795 -1.138 18.299 1.00 0.00 N ATOM 1912 CA HIS A 117 -5.830 -0.974 19.317 1.00 0.00 C ATOM 1913 C HIS A 117 -7.159 -0.584 18.673 1.00 0.00 C ATOM 1914 O HIS A 117 -8.130 -1.340 18.714 1.00 0.00 O ATOM 1915 CB HIS A 117 -5.405 0.089 20.336 1.00 0.00 C ATOM 1916 CG HIS A 117 -6.474 0.438 21.326 1.00 0.00 C ATOM 1917 ND1 HIS A 117 -7.712 0.957 21.144 1.00 0.00 N flip ATOM 1918 CD2 HIS A 117 -6.329 0.265 22.685 1.00 0.00 C flip ATOM 1919 CE1 HIS A 117 -8.285 1.086 22.385 1.00 0.00 C flip ATOM 1920 NE2 HIS A 117 -7.431 0.661 23.298 1.00 0.00 N flip ATOM 0 H HIS A 117 -4.533 -0.281 17.812 1.00 0.00 H new ATOM 0 HA HIS A 117 -5.961 -1.925 19.833 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -4.527 -0.267 20.874 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -5.108 0.992 19.803 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -5.452 -0.132 23.173 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -9.274 1.472 22.582 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -7.594 0.642 24.305 1.00 0.00 H new ATOM 1929 N ARG A 118 -7.183 0.599 18.079 1.00 0.00 N ATOM 1930 CA ARG A 118 -8.377 1.113 17.415 1.00 0.00 C ATOM 1931 C ARG A 118 -8.429 0.676 15.950 1.00 0.00 C ATOM 1932 O ARG A 118 -9.443 0.864 15.276 1.00 0.00 O ATOM 1933 CB ARG A 118 -8.433 2.647 17.500 1.00 0.00 C ATOM 1934 CG ARG A 118 -7.374 3.265 18.403 1.00 0.00 C ATOM 1935 CD ARG A 118 -7.477 4.782 18.429 1.00 0.00 C ATOM 1936 NE ARG A 118 -6.492 5.413 17.554 1.00 0.00 N ATOM 1937 CZ ARG A 118 -5.208 5.560 17.870 1.00 0.00 C ATOM 1938 NH1 ARG A 118 -4.749 5.123 19.036 1.00 0.00 N ATOM 1939 NH2 ARG A 118 -4.379 6.146 17.016 1.00 0.00 N ATOM 0 H ARG A 118 -6.382 1.229 18.042 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.241 0.697 17.932 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.323 3.059 16.497 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.418 2.943 17.860 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -7.485 2.875 19.415 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -6.383 2.973 18.055 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -8.479 5.083 18.123 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -7.336 5.137 19.450 1.00 0.00 H new ATOM 0 HE ARG A 118 -6.807 5.761 16.648 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -5.382 4.671 19.696 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -3.763 5.239 19.272 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -4.726 6.483 16.118 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -3.394 6.259 17.257 1.00 0.00 H new ATOM 1953 N LEU A 119 -7.333 0.098 15.457 1.00 0.00 N ATOM 1954 CA LEU A 119 -7.262 -0.355 14.071 1.00 0.00 C ATOM 1955 C LEU A 119 -7.302 0.825 13.108 1.00 0.00 C ATOM 1956 O LEU A 119 -7.789 0.719 11.979 1.00 0.00 O ATOM 1957 CB LEU A 119 -8.404 -1.315 13.769 1.00 0.00 C ATOM 1958 CG LEU A 119 -7.998 -2.782 13.649 1.00 0.00 C ATOM 1959 CD1 LEU A 119 -9.163 -3.620 13.143 1.00 0.00 C ATOM 1960 CD2 LEU A 119 -6.790 -2.929 12.733 1.00 0.00 C ATOM 0 H LEU A 119 -6.484 -0.067 15.998 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.315 -0.876 13.934 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.153 -1.224 14.556 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.880 -1.008 12.838 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.722 -3.145 14.639 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.854 -4.662 13.064 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.998 -3.541 13.839 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.473 -3.258 12.163 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.515 -3.981 12.660 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.036 -2.548 11.742 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.953 -2.363 13.141 1.00 0.00 H new ATOM 1972 N ASP A 120 -6.783 1.944 13.571 1.00 0.00 N ATOM 1973 CA ASP A 120 -6.735 3.165 12.776 1.00 0.00 C ATOM 1974 C ASP A 120 -5.343 3.782 12.830 1.00 0.00 C ATOM 1975 O ASP A 120 -4.666 3.716 13.857 1.00 0.00 O ATOM 1976 CB ASP A 120 -7.773 4.168 13.281 1.00 0.00 C ATOM 1977 CG ASP A 120 -9.189 3.635 13.183 1.00 0.00 C ATOM 1978 OD1 ASP A 120 -9.588 3.208 12.079 1.00 0.00 O ATOM 1979 OD2 ASP A 120 -9.899 3.643 14.210 1.00 0.00 O ATOM 0 H ASP A 120 -6.383 2.038 14.505 1.00 0.00 H new ATOM 0 HA ASP A 120 -6.964 2.911 11.741 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -7.554 4.421 14.318 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -7.694 5.090 12.704 1.00 0.00 H new ATOM 1984 N GLY A 121 -4.914 4.378 11.721 1.00 0.00 N ATOM 1985 CA GLY A 121 -3.600 4.990 11.679 1.00 0.00 C ATOM 1986 C GLY A 121 -3.470 6.040 10.595 1.00 0.00 C ATOM 1987 O GLY A 121 -4.367 6.861 10.403 1.00 0.00 O ATOM 0 H GLY A 121 -5.450 4.447 10.856 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.387 5.446 12.646 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -2.850 4.216 11.519 1.00 0.00 H new ATOM 1991 N MET A 122 -2.345 6.016 9.886 1.00 0.00 N ATOM 1992 CA MET A 122 -2.096 6.978 8.817 1.00 0.00 C ATOM 1993 C MET A 122 -1.447 6.306 7.614 1.00 0.00 C ATOM 1994 O MET A 122 -0.644 5.385 7.760 1.00 0.00 O ATOM 1995 CB MET A 122 -1.197 8.111 9.318 1.00 0.00 C ATOM 1996 CG MET A 122 -1.580 8.636 10.692 1.00 0.00 C ATOM 1997 SD MET A 122 -1.475 10.432 10.803 1.00 0.00 S ATOM 1998 CE MET A 122 -3.186 10.883 10.529 1.00 0.00 C ATOM 0 H MET A 122 -1.593 5.343 10.032 1.00 0.00 H new ATOM 0 HA MET A 122 -3.058 7.389 8.509 1.00 0.00 H new ATOM 0 HB2 MET A 122 -0.166 7.758 9.349 1.00 0.00 H new ATOM 0 HB3 MET A 122 -1.231 8.933 8.603 1.00 0.00 H new ATOM 0 HG2 MET A 122 -2.596 8.320 10.927 1.00 0.00 H new ATOM 0 HG3 MET A 122 -0.926 8.191 11.442 1.00 0.00 H new ATOM 0 HE1 MET A 122 -3.478 11.653 11.243 1.00 0.00 H new ATOM 0 HE2 MET A 122 -3.304 11.265 9.515 1.00 0.00 H new ATOM 0 HE3 MET A 122 -3.819 10.006 10.662 1.00 0.00 H new ATOM 2008 N GLY A 123 -1.799 6.778 6.423 1.00 0.00 N ATOM 2009 CA GLY A 123 -1.240 6.221 5.208 1.00 0.00 C ATOM 2010 C GLY A 123 -0.636 7.285 4.316 1.00 0.00 C ATOM 2011 O GLY A 123 -0.588 8.458 4.685 1.00 0.00 O ATOM 0 H GLY A 123 -2.463 7.538 6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.476 5.488 5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -2.020 5.691 4.661 1.00 0.00 H new ATOM 2015 N CYS A 124 -0.173 6.877 3.140 1.00 0.00 N ATOM 2016 CA CYS A 124 0.431 7.808 2.195 1.00 0.00 C ATOM 2017 C CYS A 124 0.825 7.096 0.906 1.00 0.00 C ATOM 2018 O CYS A 124 1.222 5.931 0.925 1.00 0.00 O ATOM 2019 CB CYS A 124 1.660 8.481 2.818 1.00 0.00 C ATOM 2020 SG CYS A 124 3.081 7.383 3.041 1.00 0.00 S ATOM 0 H CYS A 124 -0.204 5.909 2.819 1.00 0.00 H new ATOM 0 HA CYS A 124 -0.309 8.572 1.956 1.00 0.00 H new ATOM 0 HB2 CYS A 124 1.959 9.319 2.188 1.00 0.00 H new ATOM 0 HB3 CYS A 124 1.380 8.895 3.787 1.00 0.00 H new ATOM 0 HG CYS A 124 2.669 6.154 3.138 1.00 0.00 H new ATOM 2026 N LEU A 125 0.726 7.807 -0.210 1.00 0.00 N ATOM 2027 CA LEU A 125 1.084 7.238 -1.503 1.00 0.00 C ATOM 2028 C LEU A 125 2.486 7.679 -1.910 1.00 0.00 C ATOM 2029 O LEU A 125 3.027 8.642 -1.370 1.00 0.00 O ATOM 2030 CB LEU A 125 0.075 7.646 -2.581 1.00 0.00 C ATOM 2031 CG LEU A 125 -1.152 6.739 -2.708 1.00 0.00 C ATOM 2032 CD1 LEU A 125 -2.135 7.312 -3.717 1.00 0.00 C ATOM 2033 CD2 LEU A 125 -0.741 5.331 -3.107 1.00 0.00 C ATOM 0 H LEU A 125 0.403 8.774 -0.246 1.00 0.00 H new ATOM 0 HA LEU A 125 1.067 6.152 -1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -0.264 8.661 -2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.587 7.673 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.643 6.690 -1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.001 6.655 -3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.458 8.300 -3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.652 7.392 -4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -1.628 4.703 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.225 5.361 -4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.075 4.918 -2.349 1.00 0.00 H new ATOM 2045 N GLU A 126 3.065 6.964 -2.864 1.00 0.00 N ATOM 2046 CA GLU A 126 4.401 7.268 -3.350 1.00 0.00 C ATOM 2047 C GLU A 126 4.511 6.883 -4.816 1.00 0.00 C ATOM 2048 O GLU A 126 3.752 6.048 -5.300 1.00 0.00 O ATOM 2049 CB GLU A 126 5.452 6.519 -2.526 1.00 0.00 C ATOM 2050 CG GLU A 126 6.346 7.434 -1.703 1.00 0.00 C ATOM 2051 CD GLU A 126 6.480 6.978 -0.263 1.00 0.00 C ATOM 2052 OE1 GLU A 126 5.441 6.684 0.366 1.00 0.00 O ATOM 2053 OE2 GLU A 126 7.623 6.916 0.236 1.00 0.00 O ATOM 0 H GLU A 126 2.626 6.164 -3.319 1.00 0.00 H new ATOM 0 HA GLU A 126 4.581 8.338 -3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.948 5.821 -1.858 1.00 0.00 H new ATOM 0 HB3 GLU A 126 6.073 5.926 -3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 126 7.335 7.477 -2.160 1.00 0.00 H new ATOM 0 HG3 GLU A 126 5.941 8.446 -1.724 1.00 0.00 H new ATOM 2060 N PHE A 127 5.449 7.488 -5.528 1.00 0.00 N ATOM 2061 CA PHE A 127 5.632 7.185 -6.930 1.00 0.00 C ATOM 2062 C PHE A 127 6.980 6.500 -7.132 1.00 0.00 C ATOM 2063 O PHE A 127 7.968 6.853 -6.487 1.00 0.00 O ATOM 2064 CB PHE A 127 5.516 8.473 -7.748 1.00 0.00 C ATOM 2065 CG PHE A 127 6.192 8.410 -9.078 1.00 0.00 C ATOM 2066 CD1 PHE A 127 7.559 8.557 -9.160 1.00 0.00 C ATOM 2067 CD2 PHE A 127 5.465 8.205 -10.235 1.00 0.00 C ATOM 2068 CE1 PHE A 127 8.200 8.501 -10.381 1.00 0.00 C ATOM 2069 CE2 PHE A 127 6.096 8.146 -11.461 1.00 0.00 C ATOM 2070 CZ PHE A 127 7.467 8.294 -11.536 1.00 0.00 C ATOM 0 H PHE A 127 6.091 8.188 -5.156 1.00 0.00 H new ATOM 0 HA PHE A 127 4.857 6.500 -7.274 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.461 8.702 -7.898 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.942 9.296 -7.174 1.00 0.00 H new ATOM 0 HD1 PHE A 127 8.135 8.718 -8.260 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.393 8.090 -10.179 1.00 0.00 H new ATOM 0 HE1 PHE A 127 9.272 8.619 -10.435 1.00 0.00 H new ATOM 0 HE2 PHE A 127 5.519 7.984 -12.360 1.00 0.00 H new ATOM 0 HZ PHE A 127 7.965 8.248 -12.493 1.00 0.00 H new ATOM 2080 N ASP A 128 7.012 5.506 -8.012 1.00 0.00 N ATOM 2081 CA ASP A 128 8.238 4.760 -8.270 1.00 0.00 C ATOM 2082 C ASP A 128 9.053 5.404 -9.388 1.00 0.00 C ATOM 2083 O ASP A 128 8.701 5.305 -10.561 1.00 0.00 O ATOM 2084 CB ASP A 128 7.904 3.312 -8.634 1.00 0.00 C ATOM 2085 CG ASP A 128 8.721 2.313 -7.841 1.00 0.00 C ATOM 2086 OD1 ASP A 128 9.966 2.414 -7.863 1.00 0.00 O ATOM 2087 OD2 ASP A 128 8.118 1.428 -7.200 1.00 0.00 O ATOM 0 H ASP A 128 6.206 5.199 -8.557 1.00 0.00 H new ATOM 0 HA ASP A 128 8.839 4.775 -7.361 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.844 3.131 -8.457 1.00 0.00 H new ATOM 0 HB3 ASP A 128 8.081 3.158 -9.699 1.00 0.00 H new ATOM 2092 N GLU A 129 10.147 6.063 -9.012 1.00 0.00 N ATOM 2093 CA GLU A 129 11.020 6.726 -9.977 1.00 0.00 C ATOM 2094 C GLU A 129 11.984 5.734 -10.625 1.00 0.00 C ATOM 2095 O GLU A 129 12.507 5.983 -11.712 1.00 0.00 O ATOM 2096 CB GLU A 129 11.808 7.847 -9.291 1.00 0.00 C ATOM 2097 CG GLU A 129 11.518 9.231 -9.849 1.00 0.00 C ATOM 2098 CD GLU A 129 12.719 10.153 -9.776 1.00 0.00 C ATOM 2099 OE1 GLU A 129 13.856 9.663 -9.948 1.00 0.00 O ATOM 2100 OE2 GLU A 129 12.524 11.365 -9.548 1.00 0.00 O ATOM 0 H GLU A 129 10.450 6.152 -8.042 1.00 0.00 H new ATOM 0 HA GLU A 129 10.393 7.152 -10.760 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.579 7.840 -8.225 1.00 0.00 H new ATOM 0 HB3 GLU A 129 12.874 7.642 -9.389 1.00 0.00 H new ATOM 0 HG2 GLU A 129 11.197 9.140 -10.887 1.00 0.00 H new ATOM 0 HG3 GLU A 129 10.690 9.675 -9.297 1.00 0.00 H new