USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=23 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 111 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0967) USER MOD Set 1.2: A 124 CYS SG : rot -15:sc= -0.472 USER MOD Single : A 8 GLN : amide:sc= -2.41! K(o=-2.4!,f=-0.9) USER MOD Single : A 10 SER OG : rot -170:sc= -1.59 USER MOD Single : A 11 LYS NZ :NH3+ 158:sc= -1.31 (180deg=-2.3!) USER MOD Single : A 14 ASN : amide:sc= -0.605 K(o=-0.6,f=-0.007) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 117:sc= 2.05 USER MOD Single : A 25 CYS SG : rot 56:sc= -3.85! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -120:sc= 0.742 USER MOD Single : A 30 THR OG1 : rot -176:sc= -4.57! USER MOD Single : A 37 HIS : no HE2:sc= -6.24! C(o=-6.2!,f=-6.8!) USER MOD Single : A 41 GLN : amide:sc= -1.46 K(o=-1.5,f=-2.3!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -3.44! C(o=-3.4!,f=-4.2!) USER MOD Single : A 46 ASN : amide:sc= -1.43 K(o=-1.4,f=-2.2!) USER MOD Single : A 48 CYS SG : rot 130:sc= -0.455 USER MOD Single : A 53 SER OG : rot 110:sc= -0.296 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= -0.332 X(o=-0.33,f=-0.38) USER MOD Single : A 65 SER OG : rot 180:sc= -0.752 USER MOD Single : A 67 GLN : amide:sc= -0.469 X(o=-0.47,f=-0.17) 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+ -117:sc= -0.159 (180deg=-0.492) USER MOD Single : A 101 MET CE :methyl 176:sc= 0 (180deg=-0.0122) USER MOD Single : A 104 ASN : amide:sc= 0.0374 X(o=0.037,f=0) USER MOD Single : A 107 CYS SG : rot 180:sc= -0.267 USER MOD Single : A 117 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.018) USER MOD Single : A 122 MET CE :methyl -123:sc= -2.23 (180deg=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 4 1.410 2.977 -19.848 1.00 0.00 N ATOM 59 CA VAL A 4 2.117 4.040 -19.145 1.00 0.00 C ATOM 60 C VAL A 4 2.050 5.352 -19.920 1.00 0.00 C ATOM 61 O VAL A 4 2.178 5.372 -21.145 1.00 0.00 O ATOM 62 CB VAL A 4 3.595 3.676 -18.905 1.00 0.00 C ATOM 63 CG1 VAL A 4 3.721 2.658 -17.781 1.00 0.00 C ATOM 64 CG2 VAL A 4 4.235 3.153 -20.183 1.00 0.00 C ATOM 0 HA VAL A 4 1.621 4.162 -18.182 1.00 0.00 H new ATOM 0 HB VAL A 4 4.126 4.580 -18.606 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.772 2.414 -17.627 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.307 3.076 -16.863 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.174 1.753 -18.046 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.278 2.902 -19.991 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.703 2.262 -20.518 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.183 3.919 -20.956 1.00 0.00 H new ATOM 74 N VAL A 5 1.850 6.445 -19.193 1.00 0.00 N ATOM 75 CA VAL A 5 1.764 7.770 -19.797 1.00 0.00 C ATOM 76 C VAL A 5 3.145 8.409 -19.927 1.00 0.00 C ATOM 77 O VAL A 5 4.040 8.134 -19.128 1.00 0.00 O ATOM 78 CB VAL A 5 0.857 8.703 -18.973 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.589 8.235 -19.035 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.339 8.783 -17.533 1.00 0.00 C ATOM 0 H VAL A 5 1.744 6.440 -18.179 1.00 0.00 H new ATOM 0 HA VAL A 5 1.334 7.637 -20.790 1.00 0.00 H new ATOM 0 HB VAL A 5 0.909 9.703 -19.404 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.214 8.907 -18.447 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.928 8.237 -20.071 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.662 7.225 -18.632 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.686 9.447 -16.967 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.320 7.788 -17.087 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.357 9.171 -17.511 1.00 0.00 H new ATOM 90 N PRO A 6 3.336 9.277 -20.940 1.00 0.00 N ATOM 91 CA PRO A 6 4.611 9.960 -21.176 1.00 0.00 C ATOM 92 C PRO A 6 5.282 10.411 -19.881 1.00 0.00 C ATOM 93 O PRO A 6 6.492 10.255 -19.710 1.00 0.00 O ATOM 94 CB PRO A 6 4.196 11.164 -22.016 1.00 0.00 C ATOM 95 CG PRO A 6 3.021 10.684 -22.799 1.00 0.00 C ATOM 96 CD PRO A 6 2.316 9.665 -21.936 1.00 0.00 C ATOM 0 HA PRO A 6 5.346 9.313 -21.656 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.934 12.015 -21.388 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.004 11.489 -22.671 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.355 11.511 -23.045 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.339 10.240 -23.742 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.432 10.088 -21.459 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.983 8.808 -22.521 1.00 0.00 H new ATOM 104 N ASP A 7 4.487 10.956 -18.966 1.00 0.00 N ATOM 105 CA ASP A 7 4.993 11.410 -17.686 1.00 0.00 C ATOM 106 C ASP A 7 4.093 10.895 -16.573 1.00 0.00 C ATOM 107 O ASP A 7 3.117 11.535 -16.189 1.00 0.00 O ATOM 108 CB ASP A 7 5.077 12.937 -17.650 1.00 0.00 C ATOM 109 CG ASP A 7 6.194 13.474 -18.523 1.00 0.00 C ATOM 110 OD1 ASP A 7 6.307 13.028 -19.684 1.00 0.00 O ATOM 111 OD2 ASP A 7 6.956 14.340 -18.044 1.00 0.00 O ATOM 0 H ASP A 7 3.484 11.092 -19.093 1.00 0.00 H new ATOM 0 HA ASP A 7 5.999 11.017 -17.541 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.127 13.358 -17.979 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.232 13.266 -16.622 1.00 0.00 H new ATOM 116 N GLN A 8 4.431 9.722 -16.069 1.00 0.00 N ATOM 117 CA GLN A 8 3.666 9.095 -15.002 1.00 0.00 C ATOM 118 C GLN A 8 3.670 9.994 -13.779 1.00 0.00 C ATOM 119 O GLN A 8 2.635 10.229 -13.156 1.00 0.00 O ATOM 120 CB GLN A 8 4.253 7.726 -14.661 1.00 0.00 C ATOM 121 CG GLN A 8 4.170 6.729 -15.804 1.00 0.00 C ATOM 122 CD GLN A 8 5.123 5.561 -15.629 1.00 0.00 C ATOM 123 OE1 GLN A 8 6.341 5.736 -15.616 1.00 0.00 O ATOM 124 NE2 GLN A 8 4.570 4.362 -15.492 1.00 0.00 N ATOM 0 H GLN A 8 5.236 9.180 -16.383 1.00 0.00 H new ATOM 0 HA GLN A 8 2.638 8.952 -15.335 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.297 7.849 -14.372 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.728 7.320 -13.796 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.150 6.353 -15.880 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.393 7.238 -16.742 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.555 4.264 -15.509 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.160 3.539 -15.370 1.00 0.00 H new ATOM 133 N ARG A 9 4.843 10.521 -13.467 1.00 0.00 N ATOM 134 CA ARG A 9 4.990 11.429 -12.346 1.00 0.00 C ATOM 135 C ARG A 9 4.206 12.701 -12.612 1.00 0.00 C ATOM 136 O ARG A 9 3.815 13.399 -11.682 1.00 0.00 O ATOM 137 CB ARG A 9 6.464 11.754 -12.091 1.00 0.00 C ATOM 138 CG ARG A 9 7.273 11.979 -13.359 1.00 0.00 C ATOM 139 CD ARG A 9 8.068 10.738 -13.740 1.00 0.00 C ATOM 140 NE ARG A 9 9.427 11.066 -14.163 1.00 0.00 N ATOM 141 CZ ARG A 9 9.744 11.486 -15.385 1.00 0.00 C ATOM 142 NH1 ARG A 9 8.803 11.638 -16.309 1.00 0.00 N ATOM 143 NH2 ARG A 9 11.007 11.758 -15.686 1.00 0.00 N ATOM 0 H ARG A 9 5.707 10.334 -13.976 1.00 0.00 H new ATOM 0 HA ARG A 9 4.596 10.944 -11.453 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.527 12.646 -11.468 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.913 10.938 -11.525 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.604 12.249 -14.176 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.953 12.818 -13.214 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.108 10.058 -12.889 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.555 10.212 -14.545 1.00 0.00 H new ATOM 0 HE ARG A 9 10.178 10.967 -13.480 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.830 11.432 -16.084 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.053 11.960 -17.244 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.735 11.645 -14.981 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.250 12.080 -16.623 1.00 0.00 H new ATOM 157 N SER A 10 3.969 13.002 -13.888 1.00 0.00 N ATOM 158 CA SER A 10 3.216 14.200 -14.240 1.00 0.00 C ATOM 159 C SER A 10 1.795 14.114 -13.699 1.00 0.00 C ATOM 160 O SER A 10 1.236 15.106 -13.235 1.00 0.00 O ATOM 161 CB SER A 10 3.192 14.417 -15.757 1.00 0.00 C ATOM 162 OG SER A 10 4.303 15.188 -16.181 1.00 0.00 O ATOM 0 H SER A 10 4.282 12.443 -14.681 1.00 0.00 H new ATOM 0 HA SER A 10 3.717 15.054 -13.784 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.200 13.453 -16.265 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.267 14.920 -16.041 1.00 0.00 H new ATOM 0 HG SER A 10 4.184 15.445 -17.119 1.00 0.00 H new ATOM 168 N LYS A 11 1.219 12.919 -13.750 1.00 0.00 N ATOM 169 CA LYS A 11 -0.135 12.708 -13.251 1.00 0.00 C ATOM 170 C LYS A 11 -0.123 12.464 -11.759 1.00 0.00 C ATOM 171 O LYS A 11 -0.976 12.967 -11.039 1.00 0.00 O ATOM 172 CB LYS A 11 -0.807 11.543 -13.981 1.00 0.00 C ATOM 173 CG LYS A 11 -1.854 11.984 -14.991 1.00 0.00 C ATOM 174 CD LYS A 11 -1.624 11.348 -16.353 1.00 0.00 C ATOM 175 CE LYS A 11 -2.543 10.157 -16.576 1.00 0.00 C ATOM 176 NZ LYS A 11 -3.108 10.143 -17.954 1.00 0.00 N ATOM 0 H LYS A 11 1.666 12.084 -14.130 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.713 13.612 -13.446 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.044 10.957 -14.493 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.275 10.886 -13.248 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.846 11.716 -14.627 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.832 13.069 -15.088 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.792 12.089 -17.134 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.585 11.028 -16.435 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.990 9.234 -16.401 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.356 10.185 -15.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.407 9.177 -18.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.928 10.781 -17.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.384 10.461 -18.629 1.00 0.00 H new ATOM 190 N PHE A 12 0.855 11.720 -11.286 1.00 0.00 N ATOM 191 CA PHE A 12 0.961 11.460 -9.873 1.00 0.00 C ATOM 192 C PHE A 12 1.323 12.756 -9.148 1.00 0.00 C ATOM 193 O PHE A 12 1.102 12.890 -7.945 1.00 0.00 O ATOM 194 CB PHE A 12 1.982 10.343 -9.628 1.00 0.00 C ATOM 195 CG PHE A 12 2.730 10.449 -8.335 1.00 0.00 C ATOM 196 CD1 PHE A 12 3.843 11.260 -8.247 1.00 0.00 C ATOM 197 CD2 PHE A 12 2.329 9.731 -7.220 1.00 0.00 C ATOM 198 CE1 PHE A 12 4.549 11.361 -7.062 1.00 0.00 C ATOM 199 CE2 PHE A 12 3.028 9.823 -6.032 1.00 0.00 C ATOM 200 CZ PHE A 12 4.141 10.643 -5.952 1.00 0.00 C ATOM 0 H PHE A 12 1.581 11.289 -11.858 1.00 0.00 H new ATOM 0 HA PHE A 12 0.007 11.115 -9.474 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.464 9.384 -9.654 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.700 10.340 -10.448 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.166 11.821 -9.112 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.460 9.092 -7.280 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.418 12.000 -7.003 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.708 9.258 -5.169 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.689 10.722 -5.025 1.00 0.00 H new ATOM 210 N GLU A 13 1.883 13.711 -9.897 1.00 0.00 N ATOM 211 CA GLU A 13 2.276 14.999 -9.329 1.00 0.00 C ATOM 212 C GLU A 13 1.250 16.097 -9.611 1.00 0.00 C ATOM 213 O GLU A 13 1.147 17.061 -8.856 1.00 0.00 O ATOM 214 CB GLU A 13 3.644 15.430 -9.864 1.00 0.00 C ATOM 215 CG GLU A 13 4.790 14.554 -9.385 1.00 0.00 C ATOM 216 CD GLU A 13 5.772 15.305 -8.508 1.00 0.00 C ATOM 217 OE1 GLU A 13 6.386 16.275 -9.000 1.00 0.00 O ATOM 218 OE2 GLU A 13 5.929 14.922 -7.330 1.00 0.00 O ATOM 0 H GLU A 13 2.073 13.615 -10.895 1.00 0.00 H new ATOM 0 HA GLU A 13 2.330 14.860 -8.249 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.619 15.417 -10.954 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.835 16.460 -9.562 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.387 13.707 -8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.317 14.148 -10.248 1.00 0.00 H new ATOM 225 N ASN A 14 0.524 15.974 -10.720 1.00 0.00 N ATOM 226 CA ASN A 14 -0.452 16.996 -11.102 1.00 0.00 C ATOM 227 C ASN A 14 -1.886 16.611 -10.741 1.00 0.00 C ATOM 228 O ASN A 14 -2.716 17.482 -10.479 1.00 0.00 O ATOM 229 CB ASN A 14 -0.358 17.276 -12.603 1.00 0.00 C ATOM 230 CG ASN A 14 -0.919 18.634 -12.974 1.00 0.00 C ATOM 231 OD1 ASN A 14 -0.176 19.553 -13.317 1.00 0.00 O ATOM 232 ND2 ASN A 14 -2.239 18.768 -12.906 1.00 0.00 N ATOM 0 H ASN A 14 0.590 15.186 -11.365 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.206 17.894 -10.535 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.685 17.219 -12.916 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.897 16.502 -13.149 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.674 19.660 -13.143 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.817 17.979 -12.617 1.00 0.00 H new ATOM 239 N GLU A 15 -2.186 15.318 -10.738 1.00 0.00 N ATOM 240 CA GLU A 15 -3.539 14.862 -10.419 1.00 0.00 C ATOM 241 C GLU A 15 -3.912 15.223 -8.980 1.00 0.00 C ATOM 242 O GLU A 15 -3.102 15.086 -8.067 1.00 0.00 O ATOM 243 CB GLU A 15 -3.662 13.358 -10.654 1.00 0.00 C ATOM 244 CG GLU A 15 -4.005 13.001 -12.089 1.00 0.00 C ATOM 245 CD GLU A 15 -4.339 11.533 -12.262 1.00 0.00 C ATOM 246 OE1 GLU A 15 -5.515 11.163 -12.062 1.00 0.00 O ATOM 247 OE2 GLU A 15 -3.423 10.752 -12.598 1.00 0.00 O ATOM 0 H GLU A 15 -1.522 14.573 -10.950 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.239 15.371 -11.082 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.723 12.877 -10.382 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.430 12.956 -9.993 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.852 13.603 -12.416 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.164 13.257 -12.734 1.00 0.00 H new ATOM 254 N GLU A 16 -5.141 15.717 -8.800 1.00 0.00 N ATOM 255 CA GLU A 16 -5.629 16.144 -7.481 1.00 0.00 C ATOM 256 C GLU A 16 -5.718 14.995 -6.479 1.00 0.00 C ATOM 257 O GLU A 16 -4.866 14.876 -5.602 1.00 0.00 O ATOM 258 CB GLU A 16 -6.987 16.844 -7.605 1.00 0.00 C ATOM 259 CG GLU A 16 -7.962 16.150 -8.543 1.00 0.00 C ATOM 260 CD GLU A 16 -8.453 17.057 -9.654 1.00 0.00 C ATOM 261 OE1 GLU A 16 -9.247 17.976 -9.363 1.00 0.00 O ATOM 262 OE2 GLU A 16 -8.042 16.849 -10.815 1.00 0.00 O ATOM 0 H GLU A 16 -5.820 15.832 -9.553 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.893 16.849 -7.094 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.439 16.914 -6.616 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.827 17.864 -7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.479 15.276 -8.980 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.816 15.789 -7.970 1.00 0.00 H new ATOM 269 N PHE A 17 -6.744 14.147 -6.596 1.00 0.00 N ATOM 270 CA PHE A 17 -6.900 13.025 -5.677 1.00 0.00 C ATOM 271 C PHE A 17 -5.601 12.247 -5.609 1.00 0.00 C ATOM 272 O PHE A 17 -5.193 11.770 -4.553 1.00 0.00 O ATOM 273 CB PHE A 17 -8.071 12.130 -6.129 1.00 0.00 C ATOM 274 CG PHE A 17 -7.799 10.649 -6.054 1.00 0.00 C ATOM 275 CD1 PHE A 17 -6.929 10.049 -6.947 1.00 0.00 C ATOM 276 CD2 PHE A 17 -8.414 9.864 -5.090 1.00 0.00 C ATOM 277 CE1 PHE A 17 -6.673 8.690 -6.881 1.00 0.00 C ATOM 278 CE2 PHE A 17 -8.163 8.506 -5.020 1.00 0.00 C ATOM 279 CZ PHE A 17 -7.291 7.919 -5.916 1.00 0.00 C ATOM 0 H PHE A 17 -7.469 14.217 -7.310 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.132 13.394 -4.678 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.942 12.357 -5.514 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.330 12.386 -7.156 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.444 10.648 -7.704 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.096 10.318 -4.387 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.991 8.233 -7.583 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.648 7.905 -4.265 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.093 6.859 -5.862 1.00 0.00 H new ATOM 289 N PHE A 18 -4.963 12.130 -6.758 1.00 0.00 N ATOM 290 CA PHE A 18 -3.717 11.418 -6.877 1.00 0.00 C ATOM 291 C PHE A 18 -2.642 12.148 -6.080 1.00 0.00 C ATOM 292 O PHE A 18 -1.711 11.532 -5.576 1.00 0.00 O ATOM 293 CB PHE A 18 -3.363 11.373 -8.353 1.00 0.00 C ATOM 294 CG PHE A 18 -2.699 10.117 -8.795 1.00 0.00 C ATOM 295 CD1 PHE A 18 -1.427 9.767 -8.393 1.00 0.00 C ATOM 296 CD2 PHE A 18 -3.393 9.282 -9.638 1.00 0.00 C ATOM 297 CE1 PHE A 18 -0.854 8.587 -8.839 1.00 0.00 C ATOM 298 CE2 PHE A 18 -2.836 8.107 -10.089 1.00 0.00 C ATOM 299 CZ PHE A 18 -1.565 7.755 -9.691 1.00 0.00 C ATOM 0 H PHE A 18 -5.300 12.529 -7.634 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.795 10.405 -6.483 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.274 11.511 -8.936 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.708 12.214 -8.581 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.876 10.415 -7.728 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.391 9.552 -9.951 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.143 8.316 -8.524 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.394 7.463 -10.753 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.123 6.834 -10.041 1.00 0.00 H new ATOM 309 N ARG A 19 -2.798 13.470 -5.954 1.00 0.00 N ATOM 310 CA ARG A 19 -1.857 14.288 -5.195 1.00 0.00 C ATOM 311 C ARG A 19 -2.198 14.234 -3.710 1.00 0.00 C ATOM 312 O ARG A 19 -1.413 13.737 -2.899 1.00 0.00 O ATOM 313 CB ARG A 19 -1.900 15.744 -5.667 1.00 0.00 C ATOM 314 CG ARG A 19 -0.748 16.130 -6.580 1.00 0.00 C ATOM 315 CD ARG A 19 -0.120 17.451 -6.161 1.00 0.00 C ATOM 316 NE ARG A 19 -1.126 18.466 -5.845 1.00 0.00 N ATOM 317 CZ ARG A 19 -1.475 18.815 -4.606 1.00 0.00 C ATOM 318 NH1 ARG A 19 -0.918 18.225 -3.554 1.00 0.00 N ATOM 319 NH2 ARG A 19 -2.389 19.757 -4.419 1.00 0.00 N ATOM 0 H ARG A 19 -3.569 13.993 -6.370 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.855 13.891 -5.358 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.840 15.918 -6.191 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.895 16.398 -4.795 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.009 15.345 -6.564 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.106 16.206 -7.607 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.516 17.289 -5.291 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.523 17.816 -6.962 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.590 18.937 -6.622 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.216 17.497 -3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.192 18.500 -2.611 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.823 20.213 -5.222 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.658 20.026 -3.473 1.00 0.00 H new ATOM 333 N LYS A 20 -3.389 14.732 -3.360 1.00 0.00 N ATOM 334 CA LYS A 20 -3.831 14.723 -1.968 1.00 0.00 C ATOM 335 C LYS A 20 -3.618 13.341 -1.368 1.00 0.00 C ATOM 336 O LYS A 20 -3.353 13.203 -0.173 1.00 0.00 O ATOM 337 CB LYS A 20 -5.298 15.146 -1.843 1.00 0.00 C ATOM 338 CG LYS A 20 -6.216 14.498 -2.862 1.00 0.00 C ATOM 339 CD LYS A 20 -7.211 15.501 -3.437 1.00 0.00 C ATOM 340 CE LYS A 20 -8.640 14.993 -3.329 1.00 0.00 C ATOM 341 NZ LYS A 20 -9.302 15.455 -2.078 1.00 0.00 N ATOM 0 H LYS A 20 -4.055 15.141 -4.015 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.234 15.448 -1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.652 14.900 -0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.363 16.229 -1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.621 14.071 -3.669 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.757 13.675 -2.395 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.120 16.450 -2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.971 15.695 -4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.213 15.336 -4.191 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.641 13.903 -3.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.274 15.087 -2.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.770 15.107 -1.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.325 16.495 -2.061 1.00 0.00 H new ATOM 355 N LEU A 21 -3.694 12.319 -2.217 1.00 0.00 N ATOM 356 CA LEU A 21 -3.465 10.953 -1.771 1.00 0.00 C ATOM 357 C LEU A 21 -1.980 10.627 -1.891 1.00 0.00 C ATOM 358 O LEU A 21 -1.417 9.957 -1.027 1.00 0.00 O ATOM 359 CB LEU A 21 -4.294 9.952 -2.585 1.00 0.00 C ATOM 360 CG LEU A 21 -5.809 9.973 -2.331 1.00 0.00 C ATOM 361 CD1 LEU A 21 -6.413 8.615 -2.647 1.00 0.00 C ATOM 362 CD2 LEU A 21 -6.122 10.366 -0.895 1.00 0.00 C ATOM 0 H LEU A 21 -3.911 12.412 -3.209 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.778 10.871 -0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.120 10.142 -3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.924 8.948 -2.376 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.251 10.721 -2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.487 8.643 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.230 8.370 -3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.956 7.857 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.202 10.372 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.666 9.648 -0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.723 11.360 -0.695 1.00 0.00 H new ATOM 374 N SER A 22 -1.341 11.141 -2.950 1.00 0.00 N ATOM 375 CA SER A 22 0.095 10.930 -3.163 1.00 0.00 C ATOM 376 C SER A 22 0.886 11.301 -1.913 1.00 0.00 C ATOM 377 O SER A 22 2.039 10.901 -1.754 1.00 0.00 O ATOM 378 CB SER A 22 0.600 11.761 -4.346 1.00 0.00 C ATOM 379 OG SER A 22 1.999 11.973 -4.265 1.00 0.00 O ATOM 0 H SER A 22 -1.795 11.704 -3.670 1.00 0.00 H new ATOM 0 HA SER A 22 0.243 9.873 -3.382 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.360 11.252 -5.280 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.085 12.721 -4.365 1.00 0.00 H new ATOM 0 HG SER A 22 2.439 11.552 -5.033 1.00 0.00 H new ATOM 385 N ARG A 23 0.265 12.078 -1.033 1.00 0.00 N ATOM 386 CA ARG A 23 0.911 12.512 0.194 1.00 0.00 C ATOM 387 C ARG A 23 0.481 11.633 1.363 1.00 0.00 C ATOM 388 O ARG A 23 -0.114 10.573 1.165 1.00 0.00 O ATOM 389 CB ARG A 23 0.555 13.973 0.475 1.00 0.00 C ATOM 390 CG ARG A 23 0.488 14.834 -0.778 1.00 0.00 C ATOM 391 CD ARG A 23 1.860 15.365 -1.166 1.00 0.00 C ATOM 392 NE ARG A 23 2.111 16.694 -0.611 1.00 0.00 N ATOM 393 CZ ARG A 23 2.784 16.919 0.516 1.00 0.00 C ATOM 394 NH1 ARG A 23 3.279 15.909 1.223 1.00 0.00 N ATOM 395 NH2 ARG A 23 2.963 18.162 0.941 1.00 0.00 N ATOM 0 H ARG A 23 -0.689 12.420 -1.150 1.00 0.00 H new ATOM 0 HA ARG A 23 1.991 12.422 0.075 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.408 14.012 0.985 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.294 14.394 1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.078 14.249 -1.601 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.192 15.669 -0.610 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.628 14.675 -0.816 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.939 15.405 -2.252 1.00 0.00 H new ATOM 0 HE ARG A 23 1.748 17.500 -1.119 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.145 14.949 0.904 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.793 16.093 2.085 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.586 18.944 0.405 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.478 18.337 1.804 1.00 0.00 H new ATOM 409 N GLU A 24 0.803 12.068 2.575 1.00 0.00 N ATOM 410 CA GLU A 24 0.463 11.307 3.773 1.00 0.00 C ATOM 411 C GLU A 24 -0.775 11.866 4.466 1.00 0.00 C ATOM 412 O GLU A 24 -0.839 13.052 4.789 1.00 0.00 O ATOM 413 CB GLU A 24 1.643 11.301 4.748 1.00 0.00 C ATOM 414 CG GLU A 24 2.971 10.952 4.096 1.00 0.00 C ATOM 415 CD GLU A 24 4.122 11.772 4.644 1.00 0.00 C ATOM 416 OE1 GLU A 24 4.237 11.880 5.883 1.00 0.00 O ATOM 417 OE2 GLU A 24 4.909 12.307 3.835 1.00 0.00 O ATOM 0 H GLU A 24 1.298 12.941 2.755 1.00 0.00 H new ATOM 0 HA GLU A 24 0.241 10.286 3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.724 12.283 5.213 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.441 10.586 5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.179 9.893 4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.896 11.111 3.020 1.00 0.00 H new ATOM 424 N CYS A 25 -1.754 10.996 4.703 1.00 0.00 N ATOM 425 CA CYS A 25 -2.989 11.389 5.373 1.00 0.00 C ATOM 426 C CYS A 25 -3.585 10.227 6.159 1.00 0.00 C ATOM 427 O CYS A 25 -3.464 9.064 5.773 1.00 0.00 O ATOM 428 CB CYS A 25 -4.006 11.955 4.373 1.00 0.00 C ATOM 429 SG CYS A 25 -3.875 11.284 2.699 1.00 0.00 S ATOM 0 H CYS A 25 -1.715 10.011 4.440 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.742 12.179 6.082 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.011 11.762 4.749 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.885 13.037 4.326 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.981 9.989 2.741 1.00 0.00 H new ATOM 435 N GLU A 26 -4.205 10.566 7.282 1.00 0.00 N ATOM 436 CA GLU A 26 -4.810 9.585 8.178 1.00 0.00 C ATOM 437 C GLU A 26 -5.586 8.496 7.438 1.00 0.00 C ATOM 438 O GLU A 26 -6.260 8.748 6.439 1.00 0.00 O ATOM 439 CB GLU A 26 -5.739 10.287 9.171 1.00 0.00 C ATOM 440 CG GLU A 26 -5.113 11.499 9.841 1.00 0.00 C ATOM 441 CD GLU A 26 -5.448 11.587 11.317 1.00 0.00 C ATOM 442 OE1 GLU A 26 -5.572 10.525 11.962 1.00 0.00 O ATOM 443 OE2 GLU A 26 -5.587 12.719 11.827 1.00 0.00 O ATOM 0 H GLU A 26 -4.303 11.530 7.599 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.990 9.096 8.704 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.645 10.598 8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.041 9.574 9.938 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.031 11.458 9.720 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.456 12.404 9.340 1.00 0.00 H new ATOM 450 N ILE A 27 -5.493 7.285 7.974 1.00 0.00 N ATOM 451 CA ILE A 27 -6.192 6.128 7.421 1.00 0.00 C ATOM 452 C ILE A 27 -6.907 5.365 8.535 1.00 0.00 C ATOM 453 O ILE A 27 -6.659 5.607 9.717 1.00 0.00 O ATOM 454 CB ILE A 27 -5.235 5.169 6.679 1.00 0.00 C ATOM 455 CG1 ILE A 27 -4.233 4.539 7.652 1.00 0.00 C ATOM 456 CG2 ILE A 27 -4.508 5.905 5.565 1.00 0.00 C ATOM 457 CD1 ILE A 27 -3.314 3.526 7.001 1.00 0.00 C ATOM 0 H ILE A 27 -4.934 7.076 8.801 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.917 6.505 6.699 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.827 4.368 6.237 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.630 5.328 8.102 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.780 4.055 8.461 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.837 5.216 5.051 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.235 6.301 4.856 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.930 6.726 5.988 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.632 3.121 7.748 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.908 2.717 6.575 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.741 4.010 6.211 1.00 0.00 H new ATOM 469 N LYS A 28 -7.795 4.450 8.162 1.00 0.00 N ATOM 470 CA LYS A 28 -8.537 3.668 9.148 1.00 0.00 C ATOM 471 C LYS A 28 -8.998 2.336 8.566 1.00 0.00 C ATOM 472 O LYS A 28 -9.123 2.190 7.351 1.00 0.00 O ATOM 473 CB LYS A 28 -9.746 4.462 9.650 1.00 0.00 C ATOM 474 CG LYS A 28 -10.762 4.772 8.564 1.00 0.00 C ATOM 475 CD LYS A 28 -12.132 5.069 9.153 1.00 0.00 C ATOM 476 CE LYS A 28 -12.099 6.290 10.058 1.00 0.00 C ATOM 477 NZ LYS A 28 -12.759 7.466 9.427 1.00 0.00 N ATOM 0 H LYS A 28 -8.019 4.231 7.191 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.868 3.461 9.983 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.236 3.899 10.444 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.399 5.397 10.089 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.423 5.627 7.980 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.834 3.927 7.879 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.848 5.232 8.347 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.480 4.205 9.719 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.595 6.057 11.000 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.065 6.538 10.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.716 8.278 10.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.270 7.704 8.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.753 7.238 9.223 1.00 0.00 H new ATOM 491 N TYR A 29 -9.245 1.365 9.442 1.00 0.00 N ATOM 492 CA TYR A 29 -9.687 0.044 9.008 1.00 0.00 C ATOM 493 C TYR A 29 -11.189 0.017 8.739 1.00 0.00 C ATOM 494 O TYR A 29 -11.995 0.331 9.614 1.00 0.00 O ATOM 495 CB TYR A 29 -9.328 -1.010 10.055 1.00 0.00 C ATOM 496 CG TYR A 29 -8.978 -2.349 9.451 1.00 0.00 C ATOM 497 CD1 TYR A 29 -8.064 -2.439 8.409 1.00 0.00 C ATOM 498 CD2 TYR A 29 -9.562 -3.519 9.916 1.00 0.00 C ATOM 499 CE1 TYR A 29 -7.741 -3.658 7.849 1.00 0.00 C ATOM 500 CE2 TYR A 29 -9.245 -4.743 9.361 1.00 0.00 C ATOM 501 CZ TYR A 29 -8.334 -4.808 8.327 1.00 0.00 C ATOM 502 OH TYR A 29 -8.013 -6.026 7.776 1.00 0.00 O ATOM 0 H TYR A 29 -9.147 1.468 10.452 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.171 -0.185 8.076 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.485 -0.653 10.647 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.167 -1.135 10.739 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.599 -1.541 8.031 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.276 -3.471 10.725 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.027 -3.711 7.040 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.708 -5.645 9.734 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.820 -6.440 7.404 1.00 0.00 H new ATOM 512 N THR A 30 -11.554 -0.368 7.518 1.00 0.00 N ATOM 513 CA THR A 30 -12.958 -0.449 7.124 1.00 0.00 C ATOM 514 C THR A 30 -13.148 -1.456 5.990 1.00 0.00 C ATOM 515 O THR A 30 -14.108 -1.365 5.223 1.00 0.00 O ATOM 516 CB THR A 30 -13.477 0.926 6.690 1.00 0.00 C ATOM 517 OG1 THR A 30 -13.121 1.195 5.345 1.00 0.00 O ATOM 518 CG2 THR A 30 -12.956 2.066 7.539 1.00 0.00 C ATOM 0 H THR A 30 -10.896 -0.629 6.784 1.00 0.00 H new ATOM 0 HA THR A 30 -13.529 -0.786 7.989 1.00 0.00 H new ATOM 0 HB THR A 30 -14.559 0.873 6.812 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.407 2.101 5.106 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.365 3.008 7.174 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.259 1.916 8.575 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.868 2.096 7.480 1.00 0.00 H new ATOM 526 N GLY A 31 -12.231 -2.415 5.888 1.00 0.00 N ATOM 527 CA GLY A 31 -12.321 -3.422 4.844 1.00 0.00 C ATOM 528 C GLY A 31 -13.334 -4.501 5.169 1.00 0.00 C ATOM 529 O GLY A 31 -14.330 -4.661 4.463 1.00 0.00 O ATOM 0 H GLY A 31 -11.428 -2.513 6.509 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.593 -2.943 3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.342 -3.878 4.698 1.00 0.00 H new ATOM 533 N PHE A 32 -13.085 -5.237 6.247 1.00 0.00 N ATOM 534 CA PHE A 32 -13.987 -6.301 6.677 1.00 0.00 C ATOM 535 C PHE A 32 -14.257 -6.194 8.174 1.00 0.00 C ATOM 536 O PHE A 32 -14.751 -7.134 8.798 1.00 0.00 O ATOM 537 CB PHE A 32 -13.404 -7.682 6.345 1.00 0.00 C ATOM 538 CG PHE A 32 -11.901 -7.717 6.248 1.00 0.00 C ATOM 539 CD1 PHE A 32 -11.269 -7.427 5.050 1.00 0.00 C ATOM 540 CD2 PHE A 32 -11.121 -8.044 7.350 1.00 0.00 C ATOM 541 CE1 PHE A 32 -9.892 -7.463 4.948 1.00 0.00 C ATOM 542 CE2 PHE A 32 -9.740 -8.080 7.253 1.00 0.00 C ATOM 543 CZ PHE A 32 -9.127 -7.789 6.051 1.00 0.00 C ATOM 0 H PHE A 32 -12.264 -5.116 6.841 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.927 -6.186 6.138 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.723 -8.391 7.109 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.825 -8.023 5.399 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.861 -7.169 4.184 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.597 -8.273 8.292 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.414 -7.236 4.007 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.144 -8.335 8.116 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.050 -7.816 5.973 1.00 0.00 H new ATOM 553 N ARG A 33 -13.926 -5.039 8.741 1.00 0.00 N ATOM 554 CA ARG A 33 -14.119 -4.789 10.162 1.00 0.00 C ATOM 555 C ARG A 33 -15.534 -4.327 10.462 1.00 0.00 C ATOM 556 O ARG A 33 -15.943 -4.251 11.621 1.00 0.00 O ATOM 557 CB ARG A 33 -13.117 -3.745 10.634 1.00 0.00 C ATOM 558 CG ARG A 33 -13.343 -2.366 10.033 1.00 0.00 C ATOM 559 CD ARG A 33 -14.404 -1.586 10.795 1.00 0.00 C ATOM 560 NE ARG A 33 -13.881 -0.332 11.333 1.00 0.00 N ATOM 561 CZ ARG A 33 -14.623 0.562 11.984 1.00 0.00 C ATOM 562 NH1 ARG A 33 -15.918 0.345 12.177 1.00 0.00 N ATOM 563 NH2 ARG A 33 -14.068 1.676 12.442 1.00 0.00 N ATOM 0 H ARG A 33 -13.519 -4.255 8.231 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.958 -5.725 10.698 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.167 -3.671 11.720 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.111 -4.081 10.383 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.407 -1.808 10.040 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.645 -2.469 8.991 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.244 -1.374 10.133 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.788 -2.198 11.611 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.890 -0.130 11.202 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.350 -0.510 11.826 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.482 1.033 12.676 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.073 1.848 12.296 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.636 2.361 12.941 1.00 0.00 H new ATOM 577 N ASP A 34 -16.275 -4.021 9.412 1.00 0.00 N ATOM 578 CA ASP A 34 -17.651 -3.565 9.551 1.00 0.00 C ATOM 579 C ASP A 34 -18.469 -4.513 10.433 1.00 0.00 C ATOM 580 O ASP A 34 -19.558 -4.157 10.883 1.00 0.00 O ATOM 581 CB ASP A 34 -18.304 -3.437 8.173 1.00 0.00 C ATOM 582 CG ASP A 34 -18.647 -2.001 7.827 1.00 0.00 C ATOM 583 OD1 ASP A 34 -18.921 -1.215 8.758 1.00 0.00 O ATOM 584 OD2 ASP A 34 -18.641 -1.663 6.624 1.00 0.00 O ATOM 0 H ASP A 34 -15.947 -4.080 8.448 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.633 -2.588 10.035 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.631 -3.839 7.416 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.211 -4.041 8.146 1.00 0.00 H new ATOM 589 N ARG A 35 -17.947 -5.715 10.689 1.00 0.00 N ATOM 590 CA ARG A 35 -18.659 -6.676 11.528 1.00 0.00 C ATOM 591 C ARG A 35 -17.821 -7.084 12.751 1.00 0.00 C ATOM 592 O ARG A 35 -18.139 -6.674 13.867 1.00 0.00 O ATOM 593 CB ARG A 35 -19.120 -7.897 10.714 1.00 0.00 C ATOM 594 CG ARG A 35 -19.168 -7.658 9.206 1.00 0.00 C ATOM 595 CD ARG A 35 -17.779 -7.623 8.577 1.00 0.00 C ATOM 596 NE ARG A 35 -17.474 -8.859 7.858 1.00 0.00 N ATOM 597 CZ ARG A 35 -17.878 -9.114 6.615 1.00 0.00 C ATOM 598 NH1 ARG A 35 -18.604 -8.224 5.948 1.00 0.00 N ATOM 599 NH2 ARG A 35 -17.555 -10.264 6.036 1.00 0.00 N ATOM 0 H ARG A 35 -17.048 -6.041 10.333 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.556 -6.185 11.905 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -18.448 -8.731 10.918 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -20.111 -8.195 11.056 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -19.757 -8.445 8.735 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -19.678 -6.715 9.007 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.712 -6.778 7.891 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -17.032 -7.462 9.355 1.00 0.00 H new ATOM 0 HE ARG A 35 -16.919 -9.568 8.337 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -18.855 -7.339 6.388 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.910 -8.426 4.996 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.998 -10.952 6.543 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.864 -10.460 5.084 1.00 0.00 H new ATOM 613 N PRO A 36 -16.739 -7.885 12.591 1.00 0.00 N ATOM 614 CA PRO A 36 -15.903 -8.303 13.705 1.00 0.00 C ATOM 615 C PRO A 36 -14.623 -7.474 13.807 1.00 0.00 C ATOM 616 O PRO A 36 -13.517 -8.007 13.703 1.00 0.00 O ATOM 617 CB PRO A 36 -15.579 -9.739 13.314 1.00 0.00 C ATOM 618 CG PRO A 36 -15.501 -9.715 11.816 1.00 0.00 C ATOM 619 CD PRO A 36 -16.219 -8.464 11.343 1.00 0.00 C ATOM 0 HA PRO A 36 -16.386 -8.188 14.676 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.638 -10.067 13.755 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.350 -10.428 13.660 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.462 -9.709 11.486 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.965 -10.606 11.393 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.542 -7.779 10.833 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.021 -8.700 10.643 1.00 0.00 H new ATOM 627 N HIS A 37 -14.779 -6.168 13.997 1.00 0.00 N ATOM 628 CA HIS A 37 -13.637 -5.262 14.097 1.00 0.00 C ATOM 629 C HIS A 37 -12.592 -5.771 15.093 1.00 0.00 C ATOM 630 O HIS A 37 -11.432 -5.985 14.736 1.00 0.00 O ATOM 631 CB HIS A 37 -14.106 -3.863 14.503 1.00 0.00 C ATOM 632 CG HIS A 37 -12.995 -2.864 14.584 1.00 0.00 C ATOM 633 ND1 HIS A 37 -12.291 -2.619 15.745 1.00 0.00 N ATOM 634 CD2 HIS A 37 -12.459 -2.048 13.643 1.00 0.00 C ATOM 635 CE1 HIS A 37 -11.373 -1.699 15.515 1.00 0.00 C ATOM 636 NE2 HIS A 37 -11.455 -1.336 14.248 1.00 0.00 N ATOM 0 H HIS A 37 -15.687 -5.711 14.085 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.167 -5.217 13.114 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -14.847 -3.514 13.784 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.604 -3.921 15.471 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -12.455 -3.077 16.641 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.765 -1.973 12.610 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.674 -1.309 16.240 1.00 0.00 H new ATOM 645 N GLU A 38 -13.007 -5.959 16.344 1.00 0.00 N ATOM 646 CA GLU A 38 -12.101 -6.435 17.389 1.00 0.00 C ATOM 647 C GLU A 38 -11.343 -7.681 16.943 1.00 0.00 C ATOM 648 O GLU A 38 -10.225 -7.932 17.394 1.00 0.00 O ATOM 649 CB GLU A 38 -12.878 -6.727 18.673 1.00 0.00 C ATOM 650 CG GLU A 38 -13.033 -5.515 19.578 1.00 0.00 C ATOM 651 CD GLU A 38 -11.701 -4.969 20.054 1.00 0.00 C ATOM 652 OE1 GLU A 38 -11.177 -5.480 21.066 1.00 0.00 O ATOM 653 OE2 GLU A 38 -11.182 -4.030 19.414 1.00 0.00 O ATOM 0 H GLU A 38 -13.962 -5.790 16.659 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.373 -5.647 17.582 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.867 -7.104 18.412 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.370 -7.519 19.223 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.572 -4.733 19.043 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.640 -5.786 20.442 1.00 0.00 H new ATOM 660 N GLU A 39 -11.940 -8.442 16.036 1.00 0.00 N ATOM 661 CA GLU A 39 -11.301 -9.637 15.506 1.00 0.00 C ATOM 662 C GLU A 39 -10.407 -9.228 14.359 1.00 0.00 C ATOM 663 O GLU A 39 -9.309 -9.755 14.172 1.00 0.00 O ATOM 664 CB GLU A 39 -12.342 -10.651 15.030 1.00 0.00 C ATOM 665 CG GLU A 39 -11.990 -12.090 15.367 1.00 0.00 C ATOM 666 CD GLU A 39 -13.207 -12.991 15.413 1.00 0.00 C ATOM 667 OE1 GLU A 39 -14.096 -12.834 14.549 1.00 0.00 O ATOM 668 OE2 GLU A 39 -13.274 -13.855 16.313 1.00 0.00 O ATOM 0 H GLU A 39 -12.866 -8.252 15.652 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.714 -10.114 16.291 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.305 -10.407 15.478 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.460 -10.558 13.950 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.288 -12.472 14.626 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.483 -12.120 16.332 1.00 0.00 H new ATOM 675 N ARG A 40 -10.898 -8.255 13.608 1.00 0.00 N ATOM 676 CA ARG A 40 -10.182 -7.710 12.480 1.00 0.00 C ATOM 677 C ARG A 40 -8.813 -7.209 12.910 1.00 0.00 C ATOM 678 O ARG A 40 -7.890 -7.127 12.101 1.00 0.00 O ATOM 679 CB ARG A 40 -10.998 -6.592 11.856 1.00 0.00 C ATOM 680 CG ARG A 40 -11.711 -7.033 10.593 1.00 0.00 C ATOM 681 CD ARG A 40 -12.775 -8.072 10.905 1.00 0.00 C ATOM 682 NE ARG A 40 -13.136 -8.866 9.732 1.00 0.00 N ATOM 683 CZ ARG A 40 -12.998 -10.189 9.645 1.00 0.00 C ATOM 684 NH1 ARG A 40 -12.525 -10.891 10.668 1.00 0.00 N ATOM 685 NH2 ARG A 40 -13.346 -10.815 8.529 1.00 0.00 N ATOM 0 H ARG A 40 -11.808 -7.824 13.769 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.031 -8.493 11.737 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.732 -6.235 12.578 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.342 -5.752 11.626 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.170 -6.170 10.110 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.989 -7.446 9.889 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.413 -8.734 11.692 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.664 -7.574 11.291 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.520 -8.374 8.925 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.263 -10.418 11.533 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.424 -11.903 10.589 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.718 -10.284 7.741 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.242 -11.827 8.458 1.00 0.00 H new ATOM 699 N GLN A 41 -8.677 -6.897 14.198 1.00 0.00 N ATOM 700 CA GLN A 41 -7.399 -6.431 14.721 1.00 0.00 C ATOM 701 C GLN A 41 -6.335 -7.486 14.446 1.00 0.00 C ATOM 702 O GLN A 41 -5.226 -7.178 14.005 1.00 0.00 O ATOM 703 CB GLN A 41 -7.500 -6.132 16.224 1.00 0.00 C ATOM 704 CG GLN A 41 -7.429 -7.367 17.112 1.00 0.00 C ATOM 705 CD GLN A 41 -7.797 -7.070 18.553 1.00 0.00 C ATOM 706 OE1 GLN A 41 -8.826 -6.451 18.828 1.00 0.00 O ATOM 707 NE2 GLN A 41 -6.956 -7.510 19.482 1.00 0.00 N ATOM 0 H GLN A 41 -9.426 -6.958 14.888 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.122 -5.502 14.222 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.696 -5.451 16.503 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.439 -5.613 16.417 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.100 -8.131 16.720 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.420 -7.779 17.076 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.115 -8.019 19.209 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.151 -7.339 20.469 1.00 0.00 H new ATOM 716 N THR A 42 -6.708 -8.740 14.675 1.00 0.00 N ATOM 717 CA THR A 42 -5.821 -9.863 14.424 1.00 0.00 C ATOM 718 C THR A 42 -5.920 -10.273 12.965 1.00 0.00 C ATOM 719 O THR A 42 -4.939 -10.707 12.365 1.00 0.00 O ATOM 720 CB THR A 42 -6.173 -11.042 15.332 1.00 0.00 C ATOM 721 OG1 THR A 42 -6.352 -10.609 16.669 1.00 0.00 O ATOM 722 CG2 THR A 42 -5.120 -12.129 15.338 1.00 0.00 C ATOM 0 H THR A 42 -7.625 -9.002 15.036 1.00 0.00 H new ATOM 0 HA THR A 42 -4.797 -9.560 14.643 1.00 0.00 H new ATOM 0 HB THR A 42 -7.095 -11.455 14.924 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.578 -11.377 17.234 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.433 -12.935 16.002 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.994 -12.519 14.328 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.174 -11.717 15.688 1.00 0.00 H new ATOM 730 N ARG A 43 -7.109 -10.110 12.385 1.00 0.00 N ATOM 731 CA ARG A 43 -7.310 -10.446 10.984 1.00 0.00 C ATOM 732 C ARG A 43 -6.430 -9.560 10.113 1.00 0.00 C ATOM 733 O ARG A 43 -5.911 -9.996 9.084 1.00 0.00 O ATOM 734 CB ARG A 43 -8.776 -10.287 10.600 1.00 0.00 C ATOM 735 CG ARG A 43 -9.524 -11.605 10.531 1.00 0.00 C ATOM 736 CD ARG A 43 -9.946 -12.082 11.912 1.00 0.00 C ATOM 737 NE ARG A 43 -9.380 -13.390 12.236 1.00 0.00 N ATOM 738 CZ ARG A 43 -9.879 -14.543 11.796 1.00 0.00 C ATOM 739 NH1 ARG A 43 -10.946 -14.555 11.007 1.00 0.00 N ATOM 740 NH2 ARG A 43 -9.307 -15.688 12.143 1.00 0.00 N ATOM 0 H ARG A 43 -7.937 -9.751 12.861 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.031 -11.488 10.826 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.266 -9.637 11.325 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.839 -9.790 9.632 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.405 -11.491 9.900 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.891 -12.359 10.063 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.629 -11.355 12.659 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.034 -12.135 11.960 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.554 -13.421 12.834 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.389 -13.677 10.734 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.324 -15.442 10.673 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.485 -15.685 12.747 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.689 -16.572 11.806 1.00 0.00 H new ATOM 754 N PHE A 44 -6.245 -8.318 10.550 1.00 0.00 N ATOM 755 CA PHE A 44 -5.410 -7.378 9.831 1.00 0.00 C ATOM 756 C PHE A 44 -3.941 -7.714 10.078 1.00 0.00 C ATOM 757 O PHE A 44 -3.167 -7.898 9.138 1.00 0.00 O ATOM 758 CB PHE A 44 -5.730 -5.950 10.279 1.00 0.00 C ATOM 759 CG PHE A 44 -4.538 -5.051 10.325 1.00 0.00 C ATOM 760 CD1 PHE A 44 -4.026 -4.500 9.166 1.00 0.00 C ATOM 761 CD2 PHE A 44 -3.926 -4.771 11.529 1.00 0.00 C ATOM 762 CE1 PHE A 44 -2.921 -3.678 9.204 1.00 0.00 C ATOM 763 CE2 PHE A 44 -2.818 -3.946 11.581 1.00 0.00 C ATOM 764 CZ PHE A 44 -2.314 -3.398 10.415 1.00 0.00 C ATOM 0 H PHE A 44 -6.666 -7.944 11.401 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.608 -7.450 8.762 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.469 -5.523 9.601 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.187 -5.983 11.268 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.498 -4.716 8.219 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.316 -5.200 12.440 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.530 -3.254 8.291 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.347 -3.730 12.529 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.448 -2.753 10.450 1.00 0.00 H new ATOM 774 N GLN A 45 -3.571 -7.817 11.356 1.00 0.00 N ATOM 775 CA GLN A 45 -2.203 -8.159 11.729 1.00 0.00 C ATOM 776 C GLN A 45 -1.828 -9.522 11.150 1.00 0.00 C ATOM 777 O GLN A 45 -0.659 -9.796 10.874 1.00 0.00 O ATOM 778 CB GLN A 45 -2.054 -8.172 13.254 1.00 0.00 C ATOM 779 CG GLN A 45 -1.111 -7.104 13.782 1.00 0.00 C ATOM 780 CD GLN A 45 -0.533 -7.456 15.139 1.00 0.00 C ATOM 781 OE1 GLN A 45 -1.240 -7.460 16.146 1.00 0.00 O ATOM 782 NE2 GLN A 45 0.760 -7.754 15.172 1.00 0.00 N ATOM 0 H GLN A 45 -4.199 -7.668 12.146 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.530 -7.405 11.321 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.036 -8.035 13.708 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.692 -9.151 13.567 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.297 -6.959 13.071 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.645 -6.156 13.853 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.309 -7.738 14.313 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.205 -7.999 16.057 1.00 0.00 H new ATOM 791 N ASN A 46 -2.842 -10.357 10.947 1.00 0.00 N ATOM 792 CA ASN A 46 -2.651 -11.684 10.374 1.00 0.00 C ATOM 793 C ASN A 46 -2.597 -11.574 8.858 1.00 0.00 C ATOM 794 O ASN A 46 -1.973 -12.389 8.180 1.00 0.00 O ATOM 795 CB ASN A 46 -3.785 -12.621 10.796 1.00 0.00 C ATOM 796 CG ASN A 46 -3.550 -14.051 10.348 1.00 0.00 C ATOM 797 OD1 ASN A 46 -3.174 -14.301 9.203 1.00 0.00 O ATOM 798 ND2 ASN A 46 -3.773 -14.998 11.252 1.00 0.00 N ATOM 0 H ASN A 46 -3.812 -10.135 11.173 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.713 -12.099 10.742 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.889 -12.595 11.881 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.725 -12.262 10.377 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.633 -15.979 11.008 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.084 -14.745 12.190 1.00 0.00 H new ATOM 805 N ALA A 47 -3.233 -10.530 8.339 1.00 0.00 N ATOM 806 CA ALA A 47 -3.236 -10.266 6.915 1.00 0.00 C ATOM 807 C ALA A 47 -1.847 -9.817 6.506 1.00 0.00 C ATOM 808 O ALA A 47 -1.389 -10.085 5.395 1.00 0.00 O ATOM 809 CB ALA A 47 -4.277 -9.212 6.568 1.00 0.00 C ATOM 0 H ALA A 47 -3.755 -9.851 8.893 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.499 -11.172 6.370 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.264 -9.027 5.494 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.265 -9.565 6.863 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.049 -8.287 7.098 1.00 0.00 H new ATOM 815 N CYS A 48 -1.163 -9.165 7.445 1.00 0.00 N ATOM 816 CA CYS A 48 0.202 -8.715 7.215 1.00 0.00 C ATOM 817 C CYS A 48 1.105 -9.930 7.078 1.00 0.00 C ATOM 818 O CYS A 48 2.188 -9.852 6.499 1.00 0.00 O ATOM 819 CB CYS A 48 0.678 -7.825 8.364 1.00 0.00 C ATOM 820 SG CYS A 48 -0.075 -6.181 8.386 1.00 0.00 S ATOM 0 H CYS A 48 -1.533 -8.939 8.368 1.00 0.00 H new ATOM 0 HA CYS A 48 0.238 -8.126 6.299 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.463 -8.324 9.309 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.761 -7.716 8.300 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.537 -5.931 9.575 1.00 0.00 H new ATOM 826 N ARG A 49 0.635 -11.064 7.600 1.00 0.00 N ATOM 827 CA ARG A 49 1.392 -12.305 7.512 1.00 0.00 C ATOM 828 C ARG A 49 1.283 -12.873 6.096 1.00 0.00 C ATOM 829 O ARG A 49 2.170 -13.587 5.631 1.00 0.00 O ATOM 830 CB ARG A 49 0.893 -13.314 8.560 1.00 0.00 C ATOM 831 CG ARG A 49 0.775 -14.745 8.055 1.00 0.00 C ATOM 832 CD ARG A 49 0.357 -15.697 9.165 1.00 0.00 C ATOM 833 NE ARG A 49 1.206 -16.885 9.215 1.00 0.00 N ATOM 834 CZ ARG A 49 0.875 -18.007 9.850 1.00 0.00 C ATOM 835 NH1 ARG A 49 -0.284 -18.098 10.491 1.00 0.00 N ATOM 836 NH2 ARG A 49 1.704 -19.042 9.845 1.00 0.00 N ATOM 0 H ARG A 49 -0.259 -11.145 8.084 1.00 0.00 H new ATOM 0 HA ARG A 49 2.442 -12.104 7.723 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.572 -13.298 9.413 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.082 -12.989 8.923 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.047 -14.787 7.245 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.731 -15.065 7.641 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.401 -15.179 10.123 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.680 -15.998 9.013 1.00 0.00 H new ATOM 0 HE ARG A 49 2.105 -16.853 8.735 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.926 -17.306 10.499 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.532 -18.960 10.976 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.596 -18.979 9.354 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.450 -19.901 10.332 1.00 0.00 H new ATOM 850 N ASP A 50 0.191 -12.530 5.414 1.00 0.00 N ATOM 851 CA ASP A 50 -0.035 -12.982 4.047 1.00 0.00 C ATOM 852 C ASP A 50 0.263 -11.859 3.052 1.00 0.00 C ATOM 853 O ASP A 50 -0.082 -11.953 1.874 1.00 0.00 O ATOM 854 CB ASP A 50 -1.479 -13.461 3.878 1.00 0.00 C ATOM 855 CG ASP A 50 -1.670 -14.891 4.344 1.00 0.00 C ATOM 856 OD1 ASP A 50 -1.094 -15.258 5.390 1.00 0.00 O ATOM 857 OD2 ASP A 50 -2.398 -15.646 3.663 1.00 0.00 O ATOM 0 H ASP A 50 -0.551 -11.939 5.789 1.00 0.00 H new ATOM 0 HA ASP A 50 0.640 -13.814 3.846 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.145 -12.806 4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.765 -13.382 2.829 1.00 0.00 H new ATOM 862 N GLY A 51 0.912 -10.801 3.536 1.00 0.00 N ATOM 863 CA GLY A 51 1.258 -9.677 2.685 1.00 0.00 C ATOM 864 C GLY A 51 0.062 -9.069 1.979 1.00 0.00 C ATOM 865 O GLY A 51 0.191 -8.554 0.872 1.00 0.00 O ATOM 0 H GLY A 51 1.205 -10.704 4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.744 -8.910 3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.983 -10.004 1.940 1.00 0.00 H new ATOM 869 N ARG A 52 -1.102 -9.121 2.617 1.00 0.00 N ATOM 870 CA ARG A 52 -2.312 -8.560 2.031 1.00 0.00 C ATOM 871 C ARG A 52 -3.284 -8.069 3.088 1.00 0.00 C ATOM 872 O ARG A 52 -3.657 -8.804 4.000 1.00 0.00 O ATOM 873 CB ARG A 52 -2.996 -9.595 1.153 1.00 0.00 C ATOM 874 CG ARG A 52 -2.379 -9.677 -0.219 1.00 0.00 C ATOM 875 CD ARG A 52 -1.781 -11.049 -0.483 1.00 0.00 C ATOM 876 NE ARG A 52 -1.706 -11.350 -1.912 1.00 0.00 N ATOM 877 CZ ARG A 52 -2.740 -11.766 -2.637 1.00 0.00 C ATOM 878 NH1 ARG A 52 -3.932 -11.927 -2.076 1.00 0.00 N ATOM 879 NH2 ARG A 52 -2.584 -12.022 -3.929 1.00 0.00 N ATOM 0 H ARG A 52 -1.232 -9.544 3.536 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.012 -7.702 1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.939 -10.571 1.634 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.053 -9.347 1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.136 -9.458 -0.972 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.604 -8.917 -0.316 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.782 -11.098 -0.050 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.383 -11.809 0.016 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.807 -11.234 -2.380 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.059 -11.731 -1.083 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.721 -12.246 -2.638 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.671 -11.900 -4.366 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.377 -12.341 -4.485 1.00 0.00 H new ATOM 893 N SER A 53 -3.709 -6.824 2.936 1.00 0.00 N ATOM 894 CA SER A 53 -4.668 -6.221 3.855 1.00 0.00 C ATOM 895 C SER A 53 -5.612 -5.270 3.125 1.00 0.00 C ATOM 896 O SER A 53 -5.296 -4.763 2.042 1.00 0.00 O ATOM 897 CB SER A 53 -3.956 -5.483 4.989 1.00 0.00 C ATOM 898 OG SER A 53 -4.697 -5.568 6.195 1.00 0.00 O ATOM 0 H SER A 53 -3.405 -6.208 2.182 1.00 0.00 H new ATOM 0 HA SER A 53 -5.258 -7.031 4.284 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.963 -5.908 5.137 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.817 -4.437 4.716 1.00 0.00 H new ATOM 0 HG SER A 53 -4.225 -6.147 6.829 1.00 0.00 H new ATOM 904 N GLU A 54 -6.758 -5.012 3.741 1.00 0.00 N ATOM 905 CA GLU A 54 -7.749 -4.103 3.185 1.00 0.00 C ATOM 906 C GLU A 54 -7.937 -2.921 4.128 1.00 0.00 C ATOM 907 O GLU A 54 -8.624 -3.030 5.143 1.00 0.00 O ATOM 908 CB GLU A 54 -9.082 -4.825 2.971 1.00 0.00 C ATOM 909 CG GLU A 54 -9.951 -4.196 1.896 1.00 0.00 C ATOM 910 CD GLU A 54 -11.208 -4.997 1.619 1.00 0.00 C ATOM 911 OE1 GLU A 54 -12.215 -4.784 2.327 1.00 0.00 O ATOM 912 OE2 GLU A 54 -11.185 -5.838 0.696 1.00 0.00 O ATOM 0 H GLU A 54 -7.025 -5.425 4.635 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.398 -3.743 2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.884 -5.863 2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.634 -4.837 3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.228 -3.187 2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.374 -4.103 0.976 1.00 0.00 H new ATOM 919 N ILE A 55 -7.299 -1.801 3.805 1.00 0.00 N ATOM 920 CA ILE A 55 -7.378 -0.616 4.648 1.00 0.00 C ATOM 921 C ILE A 55 -8.169 0.505 3.988 1.00 0.00 C ATOM 922 O ILE A 55 -8.226 0.608 2.762 1.00 0.00 O ATOM 923 CB ILE A 55 -5.971 -0.089 5.000 1.00 0.00 C ATOM 924 CG1 ILE A 55 -5.046 -1.248 5.382 1.00 0.00 C ATOM 925 CG2 ILE A 55 -6.049 0.925 6.130 1.00 0.00 C ATOM 926 CD1 ILE A 55 -4.275 -1.816 4.211 1.00 0.00 C ATOM 0 H ILE A 55 -6.724 -1.690 2.970 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.896 -0.922 5.557 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.558 0.407 4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.341 -0.905 6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.640 -2.042 5.835 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.048 1.286 6.365 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.674 1.764 5.824 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.481 0.454 7.013 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.641 -2.633 4.555 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.974 -2.190 3.462 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.655 -1.035 3.771 1.00 0.00 H new ATOM 938 N ALA A 56 -8.770 1.350 4.819 1.00 0.00 N ATOM 939 CA ALA A 56 -9.554 2.479 4.340 1.00 0.00 C ATOM 940 C ALA A 56 -8.725 3.756 4.383 1.00 0.00 C ATOM 941 O ALA A 56 -7.785 3.868 5.169 1.00 0.00 O ATOM 942 CB ALA A 56 -10.818 2.637 5.172 1.00 0.00 C ATOM 0 H ALA A 56 -8.727 1.272 5.835 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.842 2.288 3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.394 3.485 4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.419 1.730 5.097 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.549 2.809 6.214 1.00 0.00 H new ATOM 948 N PHE A 57 -9.069 4.712 3.531 1.00 0.00 N ATOM 949 CA PHE A 57 -8.340 5.972 3.477 1.00 0.00 C ATOM 950 C PHE A 57 -9.223 7.110 3.990 1.00 0.00 C ATOM 951 O PHE A 57 -10.322 7.324 3.480 1.00 0.00 O ATOM 952 CB PHE A 57 -7.905 6.243 2.033 1.00 0.00 C ATOM 953 CG PHE A 57 -6.606 6.990 1.903 1.00 0.00 C ATOM 954 CD1 PHE A 57 -6.057 7.669 2.979 1.00 0.00 C ATOM 955 CD2 PHE A 57 -5.925 6.994 0.696 1.00 0.00 C ATOM 956 CE1 PHE A 57 -4.855 8.336 2.853 1.00 0.00 C ATOM 957 CE2 PHE A 57 -4.725 7.663 0.564 1.00 0.00 C ATOM 958 CZ PHE A 57 -4.188 8.334 1.643 1.00 0.00 C ATOM 0 H PHE A 57 -9.844 4.640 2.871 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.456 5.909 4.111 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.816 5.291 1.509 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.688 6.811 1.531 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.575 7.676 3.927 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.338 6.467 -0.151 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.436 8.859 3.700 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.207 7.661 -0.384 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.248 8.857 1.542 1.00 0.00 H new ATOM 968 N VAL A 58 -8.749 7.829 5.006 1.00 0.00 N ATOM 969 CA VAL A 58 -9.519 8.930 5.581 1.00 0.00 C ATOM 970 C VAL A 58 -9.462 10.174 4.702 1.00 0.00 C ATOM 971 O VAL A 58 -10.368 11.007 4.735 1.00 0.00 O ATOM 972 CB VAL A 58 -9.027 9.295 6.996 1.00 0.00 C ATOM 973 CG1 VAL A 58 -10.006 10.244 7.670 1.00 0.00 C ATOM 974 CG2 VAL A 58 -8.822 8.043 7.838 1.00 0.00 C ATOM 0 H VAL A 58 -7.842 7.671 5.445 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.550 8.581 5.642 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.065 9.800 6.905 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.644 10.492 8.668 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.094 11.156 7.079 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.982 9.765 7.747 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.475 8.326 8.832 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.765 7.503 7.923 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.079 7.403 7.363 1.00 0.00 H new ATOM 984 N ALA A 59 -8.394 10.298 3.921 1.00 0.00 N ATOM 985 CA ALA A 59 -8.219 11.448 3.037 1.00 0.00 C ATOM 986 C ALA A 59 -9.494 11.751 2.253 1.00 0.00 C ATOM 987 O ALA A 59 -9.949 12.894 2.210 1.00 0.00 O ATOM 988 CB ALA A 59 -7.060 11.205 2.084 1.00 0.00 C ATOM 0 H ALA A 59 -7.636 9.617 3.881 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.996 12.316 3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.939 12.069 1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.145 11.052 2.656 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.264 10.320 1.482 1.00 0.00 H new ATOM 994 N THR A 60 -10.063 10.723 1.633 1.00 0.00 N ATOM 995 CA THR A 60 -11.284 10.888 0.850 1.00 0.00 C ATOM 996 C THR A 60 -12.242 9.715 1.056 1.00 0.00 C ATOM 997 O THR A 60 -13.173 9.523 0.274 1.00 0.00 O ATOM 998 CB THR A 60 -10.945 11.026 -0.635 1.00 0.00 C ATOM 999 OG1 THR A 60 -10.496 9.790 -1.163 1.00 0.00 O ATOM 1000 CG2 THR A 60 -9.874 12.058 -0.910 1.00 0.00 C ATOM 0 H THR A 60 -9.701 9.770 1.657 1.00 0.00 H new ATOM 0 HA THR A 60 -11.779 11.796 1.194 1.00 0.00 H new ATOM 0 HB THR A 60 -11.869 11.348 -1.114 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.286 9.898 -2.114 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.681 12.106 -1.982 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.210 13.033 -0.558 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.958 11.780 -0.389 1.00 0.00 H new ATOM 1008 N GLY A 61 -12.012 8.932 2.108 1.00 0.00 N ATOM 1009 CA GLY A 61 -12.870 7.793 2.381 1.00 0.00 C ATOM 1010 C GLY A 61 -12.894 6.801 1.235 1.00 0.00 C ATOM 1011 O GLY A 61 -13.946 6.537 0.653 1.00 0.00 O ATOM 0 H GLY A 61 -11.250 9.066 2.773 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.526 7.291 3.286 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.884 8.143 2.576 1.00 0.00 H new ATOM 1015 N THR A 62 -11.727 6.255 0.904 1.00 0.00 N ATOM 1016 CA THR A 62 -11.614 5.292 -0.185 1.00 0.00 C ATOM 1017 C THR A 62 -11.054 3.961 0.313 1.00 0.00 C ATOM 1018 O THR A 62 -10.046 3.927 1.017 1.00 0.00 O ATOM 1019 CB THR A 62 -10.716 5.850 -1.290 1.00 0.00 C ATOM 1020 OG1 THR A 62 -10.523 4.888 -2.312 1.00 0.00 O ATOM 1021 CG2 THR A 62 -9.349 6.274 -0.797 1.00 0.00 C ATOM 0 H THR A 62 -10.847 6.464 1.375 1.00 0.00 H new ATOM 0 HA THR A 62 -12.613 5.117 -0.584 1.00 0.00 H new ATOM 0 HB THR A 62 -11.237 6.730 -1.667 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.948 5.264 -3.011 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.765 6.660 -1.632 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.460 7.052 -0.042 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.837 5.416 -0.362 1.00 0.00 H new ATOM 1029 N ASN A 63 -11.709 2.867 -0.068 1.00 0.00 N ATOM 1030 CA ASN A 63 -11.264 1.536 0.330 1.00 0.00 C ATOM 1031 C ASN A 63 -10.108 1.088 -0.555 1.00 0.00 C ATOM 1032 O ASN A 63 -10.086 1.382 -1.750 1.00 0.00 O ATOM 1033 CB ASN A 63 -12.418 0.536 0.235 1.00 0.00 C ATOM 1034 CG ASN A 63 -12.029 -0.844 0.728 1.00 0.00 C ATOM 1035 OD1 ASN A 63 -12.274 -1.195 1.883 1.00 0.00 O ATOM 1036 ND2 ASN A 63 -11.420 -1.635 -0.147 1.00 0.00 N ATOM 0 H ASN A 63 -12.547 2.877 -0.650 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.925 1.576 1.365 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.262 0.903 0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.752 0.468 -0.800 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -11.135 -2.575 0.127 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.237 -1.303 -1.094 1.00 0.00 H new ATOM 1043 N LEU A 64 -9.136 0.395 0.031 1.00 0.00 N ATOM 1044 CA LEU A 64 -7.978 -0.056 -0.730 1.00 0.00 C ATOM 1045 C LEU A 64 -7.499 -1.440 -0.302 1.00 0.00 C ATOM 1046 O LEU A 64 -7.116 -1.652 0.849 1.00 0.00 O ATOM 1047 CB LEU A 64 -6.831 0.942 -0.571 1.00 0.00 C ATOM 1048 CG LEU A 64 -7.119 2.355 -1.089 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -6.799 3.393 -0.026 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -6.327 2.630 -2.359 1.00 0.00 C ATOM 0 H LEU A 64 -9.127 0.137 1.018 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.288 -0.120 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.570 1.006 0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.957 0.552 -1.092 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.181 2.423 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.011 4.389 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.411 3.210 0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.745 3.325 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.544 3.638 -2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.261 2.541 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.608 1.908 -3.126 1.00 0.00 H new ATOM 1062 N SER A 65 -7.478 -2.360 -1.259 1.00 0.00 N ATOM 1063 CA SER A 65 -6.993 -3.713 -1.023 1.00 0.00 C ATOM 1064 C SER A 65 -5.632 -3.841 -1.691 1.00 0.00 C ATOM 1065 O SER A 65 -5.538 -3.865 -2.917 1.00 0.00 O ATOM 1066 CB SER A 65 -7.966 -4.748 -1.590 1.00 0.00 C ATOM 1067 OG SER A 65 -9.307 -4.410 -1.283 1.00 0.00 O ATOM 0 H SER A 65 -7.794 -2.190 -2.214 1.00 0.00 H new ATOM 0 HA SER A 65 -6.911 -3.898 0.048 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.843 -4.813 -2.671 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.733 -5.732 -1.182 1.00 0.00 H new ATOM 0 HG SER A 65 -9.909 -5.086 -1.658 1.00 0.00 H new ATOM 1073 N LEU A 66 -4.573 -3.856 -0.889 1.00 0.00 N ATOM 1074 CA LEU A 66 -3.224 -3.904 -1.440 1.00 0.00 C ATOM 1075 C LEU A 66 -2.483 -5.192 -1.120 1.00 0.00 C ATOM 1076 O LEU A 66 -2.708 -5.826 -0.089 1.00 0.00 O ATOM 1077 CB LEU A 66 -2.417 -2.713 -0.931 1.00 0.00 C ATOM 1078 CG LEU A 66 -3.190 -1.391 -0.875 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -3.589 -1.061 0.556 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -2.370 -0.259 -1.479 1.00 0.00 C ATOM 0 H LEU A 66 -4.620 -3.836 0.130 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.331 -3.864 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.046 -2.943 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.546 -2.581 -1.572 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.099 -1.505 -1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.137 -0.119 0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.222 -1.856 0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.694 -0.972 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.939 0.669 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.440 -0.146 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.143 -0.489 -2.520 1.00 0.00 H new ATOM 1092 N GLN A 67 -1.569 -5.547 -2.020 1.00 0.00 N ATOM 1093 CA GLN A 67 -0.742 -6.733 -1.865 1.00 0.00 C ATOM 1094 C GLN A 67 0.705 -6.315 -1.638 1.00 0.00 C ATOM 1095 O GLN A 67 1.390 -5.877 -2.562 1.00 0.00 O ATOM 1096 CB GLN A 67 -0.847 -7.629 -3.101 1.00 0.00 C ATOM 1097 CG GLN A 67 -2.258 -8.124 -3.374 1.00 0.00 C ATOM 1098 CD GLN A 67 -2.627 -8.050 -4.843 1.00 0.00 C ATOM 1099 OE1 GLN A 67 -2.449 -7.017 -5.488 1.00 0.00 O ATOM 1100 NE2 GLN A 67 -3.146 -9.148 -5.378 1.00 0.00 N ATOM 0 H GLN A 67 -1.384 -5.020 -2.873 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.094 -7.301 -1.004 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.489 -7.078 -3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.188 -8.488 -2.974 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.350 -9.155 -3.031 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.966 -7.531 -2.795 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.276 -9.982 -4.805 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.415 -9.158 -6.362 1.00 0.00 H new ATOM 1109 N PHE A 68 1.155 -6.429 -0.395 1.00 0.00 N ATOM 1110 CA PHE A 68 2.513 -6.038 -0.029 1.00 0.00 C ATOM 1111 C PHE A 68 3.413 -7.223 0.299 1.00 0.00 C ATOM 1112 O PHE A 68 3.213 -7.941 1.280 1.00 0.00 O ATOM 1113 CB PHE A 68 2.492 -5.030 1.124 1.00 0.00 C ATOM 1114 CG PHE A 68 1.192 -4.990 1.874 1.00 0.00 C ATOM 1115 CD1 PHE A 68 0.746 -6.075 2.617 1.00 0.00 C ATOM 1116 CD2 PHE A 68 0.405 -3.854 1.811 1.00 0.00 C ATOM 1117 CE1 PHE A 68 -0.461 -6.015 3.285 1.00 0.00 C ATOM 1118 CE2 PHE A 68 -0.800 -3.792 2.474 1.00 0.00 C ATOM 1119 CZ PHE A 68 -1.232 -4.871 3.212 1.00 0.00 C ATOM 0 H PHE A 68 0.599 -6.790 0.380 1.00 0.00 H new ATOM 0 HA PHE A 68 2.946 -5.563 -0.909 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.295 -5.273 1.820 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.703 -4.036 0.729 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.347 -6.971 2.673 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.740 -3.005 1.234 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.802 -6.861 3.864 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.405 -2.899 2.415 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.176 -4.823 3.735 1.00 0.00 H new ATOM 1129 N PHE A 69 4.424 -7.382 -0.543 1.00 0.00 N ATOM 1130 CA PHE A 69 5.429 -8.429 -0.416 1.00 0.00 C ATOM 1131 C PHE A 69 6.682 -8.020 -1.182 1.00 0.00 C ATOM 1132 O PHE A 69 6.605 -7.234 -2.125 1.00 0.00 O ATOM 1133 CB PHE A 69 4.910 -9.765 -0.956 1.00 0.00 C ATOM 1134 CG PHE A 69 4.239 -10.623 0.079 1.00 0.00 C ATOM 1135 CD1 PHE A 69 4.790 -10.772 1.343 1.00 0.00 C ATOM 1136 CD2 PHE A 69 3.063 -11.291 -0.219 1.00 0.00 C ATOM 1137 CE1 PHE A 69 4.176 -11.569 2.291 1.00 0.00 C ATOM 1138 CE2 PHE A 69 2.448 -12.091 0.723 1.00 0.00 C ATOM 1139 CZ PHE A 69 3.004 -12.230 1.980 1.00 0.00 C ATOM 0 H PHE A 69 4.572 -6.775 -1.349 1.00 0.00 H new ATOM 0 HA PHE A 69 5.661 -8.558 0.641 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.205 -9.569 -1.764 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.743 -10.319 -1.388 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.708 -10.260 1.589 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.622 -11.185 -1.199 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.612 -11.675 3.273 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.532 -12.608 0.477 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.523 -12.855 2.718 1.00 0.00 H new ATOM 1149 N PRO A 70 7.854 -8.546 -0.804 1.00 0.00 N ATOM 1150 CA PRO A 70 9.108 -8.220 -1.484 1.00 0.00 C ATOM 1151 C PRO A 70 9.034 -8.520 -2.978 1.00 0.00 C ATOM 1152 O PRO A 70 8.933 -9.677 -3.385 1.00 0.00 O ATOM 1153 CB PRO A 70 10.147 -9.117 -0.798 1.00 0.00 C ATOM 1154 CG PRO A 70 9.356 -10.153 -0.069 1.00 0.00 C ATOM 1155 CD PRO A 70 8.056 -9.499 0.296 1.00 0.00 C ATOM 0 HA PRO A 70 9.349 -7.159 -1.413 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.815 -9.574 -1.528 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.770 -8.543 -0.112 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.190 -11.029 -0.695 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.885 -10.493 0.821 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.243 -10.222 0.360 1.00 0.00 H new ATOM 0 HD3 PRO A 70 8.112 -8.997 1.262 1.00 0.00 H new ATOM 1163 N ALA A 71 9.074 -7.467 -3.790 1.00 0.00 N ATOM 1164 CA ALA A 71 9.002 -7.608 -5.241 1.00 0.00 C ATOM 1165 C ALA A 71 9.986 -8.655 -5.760 1.00 0.00 C ATOM 1166 O ALA A 71 9.780 -9.237 -6.824 1.00 0.00 O ATOM 1167 CB ALA A 71 9.251 -6.266 -5.913 1.00 0.00 C ATOM 0 H ALA A 71 9.156 -6.503 -3.466 1.00 0.00 H new ATOM 0 HA ALA A 71 7.998 -7.952 -5.490 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.195 -6.385 -6.995 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.497 -5.550 -5.587 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.241 -5.900 -5.639 1.00 0.00 H new ATOM 1173 N SER A 72 11.055 -8.891 -5.006 1.00 0.00 N ATOM 1174 CA SER A 72 12.063 -9.868 -5.399 1.00 0.00 C ATOM 1175 C SER A 72 11.774 -11.234 -4.781 1.00 0.00 C ATOM 1176 O SER A 72 12.687 -11.929 -4.334 1.00 0.00 O ATOM 1177 CB SER A 72 13.455 -9.391 -4.980 1.00 0.00 C ATOM 1178 OG SER A 72 14.428 -9.742 -5.949 1.00 0.00 O ATOM 0 H SER A 72 11.245 -8.420 -4.121 1.00 0.00 H new ATOM 0 HA SER A 72 12.030 -9.968 -6.484 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.446 -8.310 -4.844 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.720 -9.831 -4.019 1.00 0.00 H new ATOM 0 HG SER A 72 15.308 -9.425 -5.658 1.00 0.00 H new ATOM 1319 N PRO A 81 7.135 -12.588 5.801 1.00 0.00 N ATOM 1320 CA PRO A 81 7.171 -11.285 5.138 1.00 0.00 C ATOM 1321 C PRO A 81 8.265 -10.374 5.678 1.00 0.00 C ATOM 1322 O PRO A 81 8.658 -10.476 6.840 1.00 0.00 O ATOM 1323 CB PRO A 81 5.782 -10.693 5.437 1.00 0.00 C ATOM 1324 CG PRO A 81 5.005 -11.773 6.134 1.00 0.00 C ATOM 1325 CD PRO A 81 5.757 -13.059 5.918 1.00 0.00 C ATOM 0 HA PRO A 81 7.392 -11.382 4.075 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.864 -9.806 6.065 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.283 -10.387 4.517 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.909 -11.555 7.198 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.995 -11.844 5.731 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.631 -13.750 6.751 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.426 -13.580 5.019 1.00 0.00 H new ATOM 1333 N SER A 82 8.752 -9.481 4.824 1.00 0.00 N ATOM 1334 CA SER A 82 9.799 -8.550 5.216 1.00 0.00 C ATOM 1335 C SER A 82 9.199 -7.211 5.618 1.00 0.00 C ATOM 1336 O SER A 82 8.141 -6.821 5.123 1.00 0.00 O ATOM 1337 CB SER A 82 10.796 -8.357 4.072 1.00 0.00 C ATOM 1338 OG SER A 82 11.847 -9.304 4.146 1.00 0.00 O ATOM 0 H SER A 82 8.438 -9.383 3.858 1.00 0.00 H new ATOM 0 HA SER A 82 10.326 -8.967 6.074 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.281 -8.455 3.116 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.208 -7.348 4.111 1.00 0.00 H new ATOM 0 HG SER A 82 12.470 -9.160 3.403 1.00 0.00 H new ATOM 1344 N ARG A 83 9.878 -6.506 6.515 1.00 0.00 N ATOM 1345 CA ARG A 83 9.403 -5.207 6.974 1.00 0.00 C ATOM 1346 C ARG A 83 9.387 -4.193 5.825 1.00 0.00 C ATOM 1347 O ARG A 83 8.807 -3.114 5.946 1.00 0.00 O ATOM 1348 CB ARG A 83 10.259 -4.715 8.151 1.00 0.00 C ATOM 1349 CG ARG A 83 11.452 -3.851 7.757 1.00 0.00 C ATOM 1350 CD ARG A 83 11.198 -2.381 8.055 1.00 0.00 C ATOM 1351 NE ARG A 83 12.353 -1.549 7.725 1.00 0.00 N ATOM 1352 CZ ARG A 83 12.743 -1.281 6.481 1.00 0.00 C ATOM 1353 NH1 ARG A 83 12.073 -1.773 5.447 1.00 0.00 N ATOM 1354 NH2 ARG A 83 13.806 -0.517 6.271 1.00 0.00 N ATOM 0 H ARG A 83 10.755 -6.810 6.937 1.00 0.00 H new ATOM 0 HA ARG A 83 8.377 -5.313 7.325 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.625 -4.146 8.830 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.622 -5.581 8.705 1.00 0.00 H new ATOM 0 HG2 ARG A 83 12.338 -4.185 8.296 1.00 0.00 H new ATOM 0 HG3 ARG A 83 11.659 -3.977 6.694 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.332 -2.040 7.488 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.955 -2.262 9.111 1.00 0.00 H new ATOM 0 HE ARG A 83 12.892 -1.150 8.493 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.254 -2.360 5.603 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.377 -1.564 4.496 1.00 0.00 H new ATOM 0 HH21 ARG A 83 14.324 -0.135 7.062 1.00 0.00 H new ATOM 0 HH22 ARG A 83 14.106 -0.311 5.318 1.00 0.00 H new ATOM 1368 N GLU A 84 10.015 -4.555 4.706 1.00 0.00 N ATOM 1369 CA GLU A 84 10.063 -3.693 3.533 1.00 0.00 C ATOM 1370 C GLU A 84 8.658 -3.355 3.052 1.00 0.00 C ATOM 1371 O GLU A 84 8.326 -2.187 2.847 1.00 0.00 O ATOM 1372 CB GLU A 84 10.859 -4.373 2.415 1.00 0.00 C ATOM 1373 CG GLU A 84 11.994 -3.521 1.874 1.00 0.00 C ATOM 1374 CD GLU A 84 13.210 -4.342 1.497 1.00 0.00 C ATOM 1375 OE1 GLU A 84 13.149 -5.058 0.476 1.00 0.00 O ATOM 1376 OE2 GLU A 84 14.225 -4.269 2.221 1.00 0.00 O ATOM 0 H GLU A 84 10.499 -5.445 4.591 1.00 0.00 H new ATOM 0 HA GLU A 84 10.561 -2.763 3.808 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.267 -5.312 2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.182 -4.623 1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.646 -2.971 0.999 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.277 -2.782 2.623 1.00 0.00 H new ATOM 1383 N TYR A 85 7.836 -4.382 2.871 1.00 0.00 N ATOM 1384 CA TYR A 85 6.470 -4.187 2.408 1.00 0.00 C ATOM 1385 C TYR A 85 5.465 -4.460 3.524 1.00 0.00 C ATOM 1386 O TYR A 85 4.315 -4.040 3.448 1.00 0.00 O ATOM 1387 CB TYR A 85 6.194 -5.067 1.192 1.00 0.00 C ATOM 1388 CG TYR A 85 6.798 -4.516 -0.083 1.00 0.00 C ATOM 1389 CD1 TYR A 85 8.078 -3.968 -0.092 1.00 0.00 C ATOM 1390 CD2 TYR A 85 6.089 -4.541 -1.276 1.00 0.00 C ATOM 1391 CE1 TYR A 85 8.629 -3.463 -1.255 1.00 0.00 C ATOM 1392 CE2 TYR A 85 6.634 -4.039 -2.442 1.00 0.00 C ATOM 1393 CZ TYR A 85 7.903 -3.501 -2.427 1.00 0.00 C ATOM 1394 OH TYR A 85 8.448 -3.001 -3.586 1.00 0.00 O ATOM 0 H TYR A 85 8.092 -5.355 3.038 1.00 0.00 H new ATOM 0 HA TYR A 85 6.354 -3.144 2.112 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.591 -6.065 1.375 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.117 -5.172 1.062 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.649 -3.937 0.824 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.094 -4.960 -1.293 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.623 -3.041 -1.246 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.068 -4.068 -3.361 1.00 0.00 H new ATOM 0 HH TYR A 85 7.807 -3.105 -4.320 1.00 0.00 H new ATOM 1404 N VAL A 86 5.914 -5.137 4.575 1.00 0.00 N ATOM 1405 CA VAL A 86 5.067 -5.426 5.721 1.00 0.00 C ATOM 1406 C VAL A 86 5.916 -5.508 6.976 1.00 0.00 C ATOM 1407 O VAL A 86 6.679 -6.455 7.165 1.00 0.00 O ATOM 1408 CB VAL A 86 4.268 -6.730 5.580 1.00 0.00 C ATOM 1409 CG1 VAL A 86 2.810 -6.437 5.261 1.00 0.00 C ATOM 1410 CG2 VAL A 86 4.876 -7.651 4.536 1.00 0.00 C ATOM 0 H VAL A 86 6.865 -5.497 4.655 1.00 0.00 H new ATOM 0 HA VAL A 86 4.347 -4.610 5.782 1.00 0.00 H new ATOM 0 HB VAL A 86 4.313 -7.248 6.538 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.263 -7.375 5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.374 -5.843 6.064 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.747 -5.883 4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.283 -8.563 4.465 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.886 -7.148 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.897 -7.904 4.824 1.00 0.00 H new ATOM 1420 N ASP A 87 5.776 -4.507 7.824 1.00 0.00 N ATOM 1421 CA ASP A 87 6.530 -4.437 9.067 1.00 0.00 C ATOM 1422 C ASP A 87 5.599 -4.480 10.267 1.00 0.00 C ATOM 1423 O ASP A 87 4.474 -3.988 10.211 1.00 0.00 O ATOM 1424 CB ASP A 87 7.363 -3.148 9.099 1.00 0.00 C ATOM 1425 CG ASP A 87 8.050 -2.918 10.436 1.00 0.00 C ATOM 1426 OD1 ASP A 87 7.339 -2.803 11.457 1.00 0.00 O ATOM 1427 OD2 ASP A 87 9.296 -2.843 10.461 1.00 0.00 O ATOM 0 H ASP A 87 5.141 -3.723 7.675 1.00 0.00 H new ATOM 0 HA ASP A 87 7.195 -5.300 9.116 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.116 -3.189 8.312 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.717 -2.299 8.878 1.00 0.00 H new ATOM 1515 N GLY A 93 4.436 2.159 17.623 1.00 0.00 N ATOM 1516 CA GLY A 93 3.707 1.002 18.113 1.00 0.00 C ATOM 1517 C GLY A 93 2.576 0.597 17.186 1.00 0.00 C ATOM 1518 O GLY A 93 1.486 0.247 17.638 1.00 0.00 O ATOM 0 HA2 GLY A 93 4.395 0.165 18.230 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.303 1.222 19.101 1.00 0.00 H new ATOM 1522 N LYS A 94 2.843 0.644 15.886 1.00 0.00 N ATOM 1523 CA LYS A 94 1.853 0.281 14.876 1.00 0.00 C ATOM 1524 C LYS A 94 2.508 -0.563 13.787 1.00 0.00 C ATOM 1525 O LYS A 94 3.716 -0.801 13.818 1.00 0.00 O ATOM 1526 CB LYS A 94 1.221 1.534 14.255 1.00 0.00 C ATOM 1527 CG LYS A 94 1.375 2.792 15.098 1.00 0.00 C ATOM 1528 CD LYS A 94 0.437 2.776 16.294 1.00 0.00 C ATOM 1529 CE LYS A 94 1.046 3.493 17.489 1.00 0.00 C ATOM 1530 NZ LYS A 94 0.304 3.205 18.747 1.00 0.00 N ATOM 0 H LYS A 94 3.744 0.932 15.503 1.00 0.00 H new ATOM 0 HA LYS A 94 1.066 -0.298 15.359 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.670 1.708 13.277 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.160 1.348 14.090 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.405 2.877 15.443 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.171 3.670 14.485 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.506 3.252 16.025 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.208 1.745 16.565 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.086 3.188 17.603 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.047 4.568 17.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.751 3.712 19.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.683 3.519 18.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.325 2.183 18.936 1.00 0.00 H new ATOM 1544 N VAL A 95 1.714 -1.014 12.823 1.00 0.00 N ATOM 1545 CA VAL A 95 2.232 -1.831 11.730 1.00 0.00 C ATOM 1546 C VAL A 95 1.963 -1.175 10.376 1.00 0.00 C ATOM 1547 O VAL A 95 0.814 -0.928 10.012 1.00 0.00 O ATOM 1548 CB VAL A 95 1.626 -3.260 11.756 1.00 0.00 C ATOM 1549 CG1 VAL A 95 0.188 -3.225 12.253 1.00 0.00 C ATOM 1550 CG2 VAL A 95 1.702 -3.929 10.387 1.00 0.00 C ATOM 0 H VAL A 95 0.712 -0.829 12.775 1.00 0.00 H new ATOM 0 HA VAL A 95 3.310 -1.911 11.871 1.00 0.00 H new ATOM 0 HB VAL A 95 2.221 -3.855 12.449 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.218 -4.236 12.264 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.162 -2.813 13.262 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.411 -2.601 11.590 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.268 -4.927 10.445 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.148 -3.335 9.660 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.744 -4.004 10.076 1.00 0.00 H new ATOM 1560 N TYR A 96 3.036 -0.918 9.629 1.00 0.00 N ATOM 1561 CA TYR A 96 2.925 -0.311 8.302 1.00 0.00 C ATOM 1562 C TYR A 96 3.409 -1.254 7.213 1.00 0.00 C ATOM 1563 O TYR A 96 4.326 -2.051 7.419 1.00 0.00 O ATOM 1564 CB TYR A 96 3.678 1.026 8.203 1.00 0.00 C ATOM 1565 CG TYR A 96 4.722 1.259 9.274 1.00 0.00 C ATOM 1566 CD1 TYR A 96 5.656 0.287 9.603 1.00 0.00 C ATOM 1567 CD2 TYR A 96 4.761 2.464 9.961 1.00 0.00 C ATOM 1568 CE1 TYR A 96 6.600 0.511 10.588 1.00 0.00 C ATOM 1569 CE2 TYR A 96 5.698 2.698 10.943 1.00 0.00 C ATOM 1570 CZ TYR A 96 6.616 1.718 11.256 1.00 0.00 C ATOM 1571 OH TYR A 96 7.548 1.946 12.241 1.00 0.00 O ATOM 0 H TYR A 96 3.992 -1.121 9.920 1.00 0.00 H new ATOM 0 HA TYR A 96 1.864 -0.112 8.151 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.162 1.080 7.228 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.952 1.838 8.244 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.645 -0.659 9.082 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.042 3.234 9.721 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.321 -0.255 10.833 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.714 3.643 11.465 1.00 0.00 H new ATOM 0 HH TYR A 96 7.422 2.845 12.609 1.00 0.00 H new ATOM 1581 N LEU A 97 2.778 -1.150 6.051 1.00 0.00 N ATOM 1582 CA LEU A 97 3.125 -1.979 4.909 1.00 0.00 C ATOM 1583 C LEU A 97 3.083 -1.162 3.621 1.00 0.00 C ATOM 1584 O LEU A 97 2.279 -0.236 3.487 1.00 0.00 O ATOM 1585 CB LEU A 97 2.180 -3.186 4.806 1.00 0.00 C ATOM 1586 CG LEU A 97 0.720 -2.919 5.189 1.00 0.00 C ATOM 1587 CD1 LEU A 97 0.574 -2.668 6.684 1.00 0.00 C ATOM 1588 CD2 LEU A 97 0.171 -1.747 4.399 1.00 0.00 C ATOM 0 H LEU A 97 2.017 -0.493 5.876 1.00 0.00 H new ATOM 0 HA LEU A 97 4.140 -2.348 5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.206 -3.559 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.565 -3.981 5.444 1.00 0.00 H new ATOM 0 HG LEU A 97 0.143 -3.810 4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.474 -2.482 6.921 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.921 -3.542 7.235 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.170 -1.800 6.967 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.867 -1.571 4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.762 -0.856 4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.223 -1.970 3.333 1.00 0.00 H new ATOM 1600 N LYS A 98 3.959 -1.515 2.685 1.00 0.00 N ATOM 1601 CA LYS A 98 4.046 -0.833 1.399 1.00 0.00 C ATOM 1602 C LYS A 98 3.750 -1.810 0.265 1.00 0.00 C ATOM 1603 O LYS A 98 4.391 -2.857 0.158 1.00 0.00 O ATOM 1604 CB LYS A 98 5.442 -0.233 1.221 1.00 0.00 C ATOM 1605 CG LYS A 98 5.643 0.473 -0.109 1.00 0.00 C ATOM 1606 CD LYS A 98 7.086 0.914 -0.288 1.00 0.00 C ATOM 1607 CE LYS A 98 7.463 2.002 0.704 1.00 0.00 C ATOM 1608 NZ LYS A 98 6.701 3.259 0.466 1.00 0.00 N ATOM 0 H LYS A 98 4.626 -2.279 2.796 1.00 0.00 H new ATOM 0 HA LYS A 98 3.308 -0.031 1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.628 0.475 2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.183 -1.027 1.315 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.361 -0.194 -0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 98 4.986 1.341 -0.165 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.748 0.058 -0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.232 1.280 -1.304 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.274 1.650 1.718 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.531 2.206 0.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 7.360 4.021 0.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.023 3.113 -0.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.186 3.522 1.331 1.00 0.00 H new ATOM 1622 N ALA A 99 2.776 -1.474 -0.574 1.00 0.00 N ATOM 1623 CA ALA A 99 2.401 -2.341 -1.687 1.00 0.00 C ATOM 1624 C ALA A 99 2.522 -1.628 -3.033 1.00 0.00 C ATOM 1625 O ALA A 99 2.187 -0.449 -3.153 1.00 0.00 O ATOM 1626 CB ALA A 99 0.982 -2.854 -1.493 1.00 0.00 C ATOM 0 H ALA A 99 2.234 -0.613 -0.506 1.00 0.00 H new ATOM 0 HA ALA A 99 3.095 -3.182 -1.698 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.711 -3.500 -2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.924 -3.420 -0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.293 -2.010 -1.448 1.00 0.00 H new ATOM 1632 N PRO A 100 2.994 -2.345 -4.071 1.00 0.00 N ATOM 1633 CA PRO A 100 3.150 -1.797 -5.411 1.00 0.00 C ATOM 1634 C PRO A 100 1.904 -2.027 -6.262 1.00 0.00 C ATOM 1635 O PRO A 100 1.537 -3.168 -6.543 1.00 0.00 O ATOM 1636 CB PRO A 100 4.327 -2.605 -5.951 1.00 0.00 C ATOM 1637 CG PRO A 100 4.201 -3.949 -5.303 1.00 0.00 C ATOM 1638 CD PRO A 100 3.415 -3.757 -4.023 1.00 0.00 C ATOM 0 HA PRO A 100 3.306 -0.718 -5.420 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.286 -2.685 -7.037 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.278 -2.134 -5.701 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.692 -4.649 -5.965 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.185 -4.368 -5.091 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.557 -4.428 -3.977 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.027 -3.961 -3.144 1.00 0.00 H new ATOM 1646 N MET A 101 1.244 -0.941 -6.661 1.00 0.00 N ATOM 1647 CA MET A 101 0.031 -1.042 -7.464 1.00 0.00 C ATOM 1648 C MET A 101 0.124 -0.192 -8.724 1.00 0.00 C ATOM 1649 O MET A 101 1.023 0.637 -8.866 1.00 0.00 O ATOM 1650 CB MET A 101 -1.183 -0.607 -6.638 1.00 0.00 C ATOM 1651 CG MET A 101 -1.912 -1.765 -5.986 1.00 0.00 C ATOM 1652 SD MET A 101 -2.687 -1.315 -4.420 1.00 0.00 S ATOM 1653 CE MET A 101 -3.867 -0.073 -4.951 1.00 0.00 C ATOM 0 H MET A 101 1.529 0.014 -6.442 1.00 0.00 H new ATOM 0 HA MET A 101 -0.083 -2.084 -7.764 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.857 0.089 -5.865 1.00 0.00 H new ATOM 0 HB3 MET A 101 -1.877 -0.067 -7.282 1.00 0.00 H new ATOM 0 HG2 MET A 101 -2.675 -2.138 -6.669 1.00 0.00 H new ATOM 0 HG3 MET A 101 -1.209 -2.581 -5.817 1.00 0.00 H new ATOM 0 HE1 MET A 101 -4.468 0.245 -4.099 1.00 0.00 H new ATOM 0 HE2 MET A 101 -3.333 0.785 -5.359 1.00 0.00 H new ATOM 0 HE3 MET A 101 -4.518 -0.494 -5.718 1.00 0.00 H new ATOM 1663 N ILE A 102 -0.824 -0.398 -9.632 1.00 0.00 N ATOM 1664 CA ILE A 102 -0.868 0.353 -10.877 1.00 0.00 C ATOM 1665 C ILE A 102 -2.032 1.339 -10.864 1.00 0.00 C ATOM 1666 O ILE A 102 -3.192 0.952 -11.006 1.00 0.00 O ATOM 1667 CB ILE A 102 -1.003 -0.582 -12.101 1.00 0.00 C ATOM 1668 CG1 ILE A 102 0.218 -1.501 -12.202 1.00 0.00 C ATOM 1669 CG2 ILE A 102 -1.175 0.228 -13.382 1.00 0.00 C ATOM 1670 CD1 ILE A 102 1.479 -0.789 -12.648 1.00 0.00 C ATOM 0 H ILE A 102 -1.574 -1.082 -9.526 1.00 0.00 H new ATOM 0 HA ILE A 102 0.073 0.897 -10.960 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.892 -1.199 -11.970 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.396 -1.963 -11.231 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.001 -2.307 -12.903 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -1.268 -0.449 -14.231 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -2.073 0.841 -13.307 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -0.307 0.872 -13.525 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.302 -1.502 -12.697 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.320 -0.350 -13.633 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.723 -0.001 -11.935 1.00 0.00 H new ATOM 1682 N LEU A 103 -1.708 2.613 -10.699 1.00 0.00 N ATOM 1683 CA LEU A 103 -2.718 3.665 -10.674 1.00 0.00 C ATOM 1684 C LEU A 103 -2.703 4.426 -11.988 1.00 0.00 C ATOM 1685 O LEU A 103 -1.670 4.515 -12.625 1.00 0.00 O ATOM 1686 CB LEU A 103 -2.477 4.623 -9.506 1.00 0.00 C ATOM 1687 CG LEU A 103 -3.177 4.242 -8.201 1.00 0.00 C ATOM 1688 CD1 LEU A 103 -2.769 5.187 -7.080 1.00 0.00 C ATOM 1689 CD2 LEU A 103 -4.687 4.254 -8.385 1.00 0.00 C ATOM 0 H LEU A 103 -0.751 2.946 -10.580 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.696 3.203 -10.539 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.405 4.683 -9.321 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.806 5.620 -9.800 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.870 3.232 -7.928 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.277 4.900 -6.159 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.691 5.131 -6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.047 6.207 -7.345 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.170 3.981 -7.447 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.009 5.252 -8.682 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.965 3.538 -9.158 1.00 0.00 H new ATOM 1701 N ASN A 104 -3.855 4.958 -12.387 1.00 0.00 N ATOM 1702 CA ASN A 104 -3.997 5.708 -13.647 1.00 0.00 C ATOM 1703 C ASN A 104 -2.699 5.771 -14.467 1.00 0.00 C ATOM 1704 O ASN A 104 -1.983 6.771 -14.443 1.00 0.00 O ATOM 1705 CB ASN A 104 -4.456 7.132 -13.334 1.00 0.00 C ATOM 1706 CG ASN A 104 -5.892 7.185 -12.852 1.00 0.00 C ATOM 1707 OD1 ASN A 104 -6.817 6.822 -13.580 1.00 0.00 O ATOM 1708 ND2 ASN A 104 -6.088 7.639 -11.620 1.00 0.00 N ATOM 0 H ASN A 104 -4.720 4.885 -11.852 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.732 5.176 -14.251 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.804 7.562 -12.573 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -4.353 7.748 -14.227 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.034 7.697 -11.242 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -5.293 7.929 -11.051 1.00 0.00 H new ATOM 1715 N GLY A 105 -2.421 4.691 -15.204 1.00 0.00 N ATOM 1716 CA GLY A 105 -1.227 4.623 -16.045 1.00 0.00 C ATOM 1717 C GLY A 105 0.020 5.176 -15.380 1.00 0.00 C ATOM 1718 O GLY A 105 0.689 6.045 -15.936 1.00 0.00 O ATOM 0 H GLY A 105 -3.006 3.856 -15.234 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.049 3.585 -16.324 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.411 5.174 -16.967 1.00 0.00 H new ATOM 1722 N VAL A 106 0.324 4.671 -14.190 1.00 0.00 N ATOM 1723 CA VAL A 106 1.481 5.111 -13.427 1.00 0.00 C ATOM 1724 C VAL A 106 1.790 4.112 -12.316 1.00 0.00 C ATOM 1725 O VAL A 106 0.891 3.683 -11.593 1.00 0.00 O ATOM 1726 CB VAL A 106 1.232 6.495 -12.785 1.00 0.00 C ATOM 1727 CG1 VAL A 106 2.339 6.851 -11.804 1.00 0.00 C ATOM 1728 CG2 VAL A 106 1.094 7.568 -13.852 1.00 0.00 C ATOM 0 H VAL A 106 -0.225 3.946 -13.729 1.00 0.00 H new ATOM 0 HA VAL A 106 2.322 5.180 -14.117 1.00 0.00 H new ATOM 0 HB VAL A 106 0.295 6.442 -12.230 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.138 7.829 -11.368 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.379 6.102 -11.013 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.295 6.877 -12.328 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.919 8.533 -13.377 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.009 7.614 -14.442 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.254 7.327 -14.504 1.00 0.00 H new ATOM 1738 N CYS A 107 3.060 3.761 -12.166 1.00 0.00 N ATOM 1739 CA CYS A 107 3.459 2.831 -11.119 1.00 0.00 C ATOM 1740 C CYS A 107 3.407 3.536 -9.770 1.00 0.00 C ATOM 1741 O CYS A 107 4.135 4.500 -9.536 1.00 0.00 O ATOM 1742 CB CYS A 107 4.865 2.289 -11.387 1.00 0.00 C ATOM 1743 SG CYS A 107 5.494 1.186 -10.098 1.00 0.00 S ATOM 0 H CYS A 107 3.824 4.102 -12.749 1.00 0.00 H new ATOM 0 HA CYS A 107 2.770 1.987 -11.110 1.00 0.00 H new ATOM 0 HB2 CYS A 107 4.861 1.754 -12.337 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.551 3.129 -11.497 1.00 0.00 H new ATOM 0 HG CYS A 107 6.687 0.780 -10.418 1.00 0.00 H new ATOM 1749 N VAL A 108 2.522 3.072 -8.893 1.00 0.00 N ATOM 1750 CA VAL A 108 2.364 3.690 -7.585 1.00 0.00 C ATOM 1751 C VAL A 108 2.811 2.774 -6.455 1.00 0.00 C ATOM 1752 O VAL A 108 3.030 1.578 -6.649 1.00 0.00 O ATOM 1753 CB VAL A 108 0.904 4.111 -7.346 1.00 0.00 C ATOM 1754 CG1 VAL A 108 0.577 5.361 -8.147 1.00 0.00 C ATOM 1755 CG2 VAL A 108 -0.043 2.973 -7.702 1.00 0.00 C ATOM 0 H VAL A 108 1.908 2.276 -9.064 1.00 0.00 H new ATOM 0 HA VAL A 108 3.005 4.572 -7.584 1.00 0.00 H new ATOM 0 HB VAL A 108 0.775 4.341 -6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.459 5.647 -7.968 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.236 6.173 -7.839 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.720 5.160 -9.209 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.072 3.288 -7.527 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.083 2.710 -8.752 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.182 2.105 -7.082 1.00 0.00 H new ATOM 1765 N ILE A 109 2.944 3.362 -5.273 1.00 0.00 N ATOM 1766 CA ILE A 109 3.368 2.640 -4.084 1.00 0.00 C ATOM 1767 C ILE A 109 2.666 3.197 -2.850 1.00 0.00 C ATOM 1768 O ILE A 109 2.996 4.285 -2.379 1.00 0.00 O ATOM 1769 CB ILE A 109 4.890 2.755 -3.870 1.00 0.00 C ATOM 1770 CG1 ILE A 109 5.638 2.675 -5.208 1.00 0.00 C ATOM 1771 CG2 ILE A 109 5.375 1.674 -2.915 1.00 0.00 C ATOM 1772 CD1 ILE A 109 5.624 1.299 -5.836 1.00 0.00 C ATOM 0 H ILE A 109 2.761 4.353 -5.113 1.00 0.00 H new ATOM 0 HA ILE A 109 3.104 1.592 -4.230 1.00 0.00 H new ATOM 0 HB ILE A 109 5.101 3.727 -3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.194 3.386 -5.905 1.00 0.00 H new ATOM 0 HG13 ILE A 109 6.672 2.983 -5.054 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.452 1.769 -2.774 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.872 1.785 -1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.149 0.692 -3.331 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.172 1.323 -6.778 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.095 0.586 -5.160 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.594 0.995 -6.024 1.00 0.00 H new ATOM 1784 N TRP A 110 1.695 2.456 -2.331 1.00 0.00 N ATOM 1785 CA TRP A 110 0.958 2.899 -1.154 1.00 0.00 C ATOM 1786 C TRP A 110 1.529 2.279 0.116 1.00 0.00 C ATOM 1787 O TRP A 110 1.690 1.063 0.211 1.00 0.00 O ATOM 1788 CB TRP A 110 -0.526 2.546 -1.284 1.00 0.00 C ATOM 1789 CG TRP A 110 -1.329 2.917 -0.073 1.00 0.00 C ATOM 1790 CD1 TRP A 110 -1.984 4.094 0.154 1.00 0.00 C ATOM 1791 CD2 TRP A 110 -1.553 2.105 1.083 1.00 0.00 C ATOM 1792 NE1 TRP A 110 -2.603 4.060 1.381 1.00 0.00 N ATOM 1793 CE2 TRP A 110 -2.352 2.849 1.971 1.00 0.00 C ATOM 1794 CE3 TRP A 110 -1.156 0.819 1.452 1.00 0.00 C ATOM 1795 CZ2 TRP A 110 -2.759 2.346 3.205 1.00 0.00 C ATOM 1796 CZ3 TRP A 110 -1.560 0.322 2.674 1.00 0.00 C ATOM 1797 CH2 TRP A 110 -2.354 1.082 3.538 1.00 0.00 C ATOM 0 H TRP A 110 1.401 1.553 -2.703 1.00 0.00 H new ATOM 0 HA TRP A 110 1.061 3.982 -1.086 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.939 3.054 -2.156 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.624 1.475 -1.463 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -2.012 4.929 -0.530 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -3.159 4.813 1.786 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.543 0.223 0.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -3.372 2.932 3.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -1.257 -0.672 2.968 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.654 0.663 4.487 1.00 0.00 H new ATOM 1808 N LYS A 111 1.823 3.128 1.094 1.00 0.00 N ATOM 1809 CA LYS A 111 2.365 2.674 2.364 1.00 0.00 C ATOM 1810 C LYS A 111 1.654 3.368 3.520 1.00 0.00 C ATOM 1811 O LYS A 111 1.399 4.571 3.470 1.00 0.00 O ATOM 1812 CB LYS A 111 3.874 2.935 2.420 1.00 0.00 C ATOM 1813 CG LYS A 111 4.470 2.838 3.815 1.00 0.00 C ATOM 1814 CD LYS A 111 4.343 4.157 4.555 1.00 0.00 C ATOM 1815 CE LYS A 111 4.035 3.945 6.028 1.00 0.00 C ATOM 1816 NZ LYS A 111 3.966 5.232 6.772 1.00 0.00 N ATOM 0 H LYS A 111 1.694 4.138 1.029 1.00 0.00 H new ATOM 0 HA LYS A 111 2.199 1.601 2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 111 4.380 2.221 1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 111 4.075 3.928 2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 111 3.964 2.052 4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 111 5.520 2.555 3.746 1.00 0.00 H new ATOM 0 HD2 LYS A 111 5.270 4.722 4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 111 3.554 4.755 4.100 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.087 3.417 6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.802 3.310 6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 4.009 5.045 7.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 4.767 5.836 6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 3.074 5.716 6.546 1.00 0.00 H new ATOM 1830 N GLY A 112 1.332 2.604 4.557 1.00 0.00 N ATOM 1831 CA GLY A 112 0.646 3.177 5.705 1.00 0.00 C ATOM 1832 C GLY A 112 0.587 2.232 6.887 1.00 0.00 C ATOM 1833 O GLY A 112 0.682 1.017 6.719 1.00 0.00 O ATOM 0 H GLY A 112 1.531 1.606 4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.153 4.094 6.004 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.368 3.453 5.416 1.00 0.00 H new ATOM 1837 N TRP A 113 0.431 2.789 8.087 1.00 0.00 N ATOM 1838 CA TRP A 113 0.364 1.977 9.297 1.00 0.00 C ATOM 1839 C TRP A 113 -0.993 2.076 9.976 1.00 0.00 C ATOM 1840 O TRP A 113 -1.722 3.056 9.814 1.00 0.00 O ATOM 1841 CB TRP A 113 1.453 2.381 10.294 1.00 0.00 C ATOM 1842 CG TRP A 113 1.399 3.823 10.701 1.00 0.00 C ATOM 1843 CD1 TRP A 113 2.146 4.848 10.192 1.00 0.00 C ATOM 1844 CD2 TRP A 113 0.568 4.396 11.714 1.00 0.00 C ATOM 1845 NE1 TRP A 113 1.818 6.026 10.820 1.00 0.00 N ATOM 1846 CE2 TRP A 113 0.852 5.774 11.760 1.00 0.00 C ATOM 1847 CE3 TRP A 113 -0.396 3.879 12.584 1.00 0.00 C ATOM 1848 CZ2 TRP A 113 0.209 6.639 12.642 1.00 0.00 C ATOM 1849 CZ3 TRP A 113 -1.032 4.737 13.461 1.00 0.00 C ATOM 1850 CH2 TRP A 113 -0.727 6.103 13.483 1.00 0.00 C ATOM 0 H TRP A 113 0.349 3.793 8.245 1.00 0.00 H new ATOM 0 HA TRP A 113 0.521 0.945 8.984 1.00 0.00 H new ATOM 0 HB2 TRP A 113 1.366 1.759 11.185 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.429 2.174 9.855 1.00 0.00 H new ATOM 0 HD1 TRP A 113 2.885 4.747 9.411 1.00 0.00 H new ATOM 0 HE1 TRP A 113 2.227 6.939 10.619 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.640 2.827 12.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 0.441 7.694 12.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.776 4.348 14.140 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.242 6.748 14.179 1.00 0.00 H new ATOM 1861 N ILE A 114 -1.299 1.055 10.765 1.00 0.00 N ATOM 1862 CA ILE A 114 -2.542 0.995 11.519 1.00 0.00 C ATOM 1863 C ILE A 114 -2.222 0.695 12.975 1.00 0.00 C ATOM 1864 O ILE A 114 -1.261 -0.018 13.263 1.00 0.00 O ATOM 1865 CB ILE A 114 -3.514 -0.091 10.988 1.00 0.00 C ATOM 1866 CG1 ILE A 114 -3.122 -0.552 9.579 1.00 0.00 C ATOM 1867 CG2 ILE A 114 -4.941 0.433 10.993 1.00 0.00 C ATOM 1868 CD1 ILE A 114 -3.224 0.537 8.535 1.00 0.00 C ATOM 0 H ILE A 114 -0.693 0.246 10.900 1.00 0.00 H new ATOM 0 HA ILE A 114 -3.036 1.960 11.410 1.00 0.00 H new ATOM 0 HB ILE A 114 -3.449 -0.953 11.652 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -2.099 -0.928 9.600 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.762 -1.385 9.287 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.613 -0.339 10.618 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -5.227 0.700 12.010 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.007 1.314 10.354 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.932 0.138 7.564 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -4.251 0.898 8.485 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.563 1.361 8.803 1.00 0.00 H new ATOM 1880 N ASP A 115 -3.014 1.229 13.893 1.00 0.00 N ATOM 1881 CA ASP A 115 -2.767 0.987 15.305 1.00 0.00 C ATOM 1882 C ASP A 115 -3.438 -0.316 15.730 1.00 0.00 C ATOM 1883 O ASP A 115 -4.583 -0.590 15.366 1.00 0.00 O ATOM 1884 CB ASP A 115 -3.251 2.168 16.153 1.00 0.00 C ATOM 1885 CG ASP A 115 -4.683 2.019 16.605 1.00 0.00 C ATOM 1886 OD1 ASP A 115 -4.909 1.306 17.603 1.00 0.00 O ATOM 1887 OD2 ASP A 115 -5.578 2.612 15.967 1.00 0.00 O ATOM 0 H ASP A 115 -3.819 1.822 13.691 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.693 0.890 15.467 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -2.608 2.268 17.027 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.151 3.088 15.577 1.00 0.00 H new ATOM 1892 N LEU A 116 -2.693 -1.129 16.467 1.00 0.00 N ATOM 1893 CA LEU A 116 -3.172 -2.433 16.911 1.00 0.00 C ATOM 1894 C LEU A 116 -4.210 -2.353 18.034 1.00 0.00 C ATOM 1895 O LEU A 116 -4.547 -3.376 18.631 1.00 0.00 O ATOM 1896 CB LEU A 116 -1.983 -3.281 17.358 1.00 0.00 C ATOM 1897 CG LEU A 116 -0.767 -3.224 16.424 1.00 0.00 C ATOM 1898 CD1 LEU A 116 0.526 -3.118 17.221 1.00 0.00 C ATOM 1899 CD2 LEU A 116 -0.738 -4.440 15.508 1.00 0.00 C ATOM 0 H LEU A 116 -1.746 -0.906 16.773 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.677 -2.893 16.062 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -1.676 -2.956 18.352 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.307 -4.318 17.447 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.855 -2.331 15.805 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.373 -3.079 16.536 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.507 -2.212 17.827 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.625 -3.987 17.871 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.131 -4.382 14.853 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.679 -5.347 16.109 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.646 -4.463 14.905 1.00 0.00 H new ATOM 1911 N HIS A 117 -4.729 -1.161 18.323 1.00 0.00 N ATOM 1912 CA HIS A 117 -5.732 -1.026 19.376 1.00 0.00 C ATOM 1913 C HIS A 117 -7.086 -0.627 18.793 1.00 0.00 C ATOM 1914 O HIS A 117 -8.043 -1.400 18.830 1.00 0.00 O ATOM 1915 CB HIS A 117 -5.283 0.009 20.410 1.00 0.00 C ATOM 1916 CG HIS A 117 -3.844 -0.119 20.802 1.00 0.00 C ATOM 1917 ND1 HIS A 117 -3.438 -0.618 22.022 1.00 0.00 N ATOM 1918 CD2 HIS A 117 -2.711 0.189 20.127 1.00 0.00 C ATOM 1919 CE1 HIS A 117 -2.118 -0.611 22.080 1.00 0.00 C ATOM 1920 NE2 HIS A 117 -1.653 -0.127 20.944 1.00 0.00 N ATOM 0 H HIS A 117 -4.478 -0.291 17.853 1.00 0.00 H new ATOM 0 HA HIS A 117 -5.839 -1.994 19.865 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -5.454 1.008 20.009 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -5.903 -0.087 21.301 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -2.651 0.605 19.132 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -1.521 -0.945 22.916 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -0.667 -0.007 20.710 1.00 0.00 H new ATOM 1929 N ARG A 118 -7.148 0.578 18.242 1.00 0.00 N ATOM 1930 CA ARG A 118 -8.378 1.081 17.630 1.00 0.00 C ATOM 1931 C ARG A 118 -8.456 0.710 16.147 1.00 0.00 C ATOM 1932 O ARG A 118 -9.479 0.938 15.501 1.00 0.00 O ATOM 1933 CB ARG A 118 -8.542 2.607 17.801 1.00 0.00 C ATOM 1934 CG ARG A 118 -7.299 3.362 18.263 1.00 0.00 C ATOM 1935 CD ARG A 118 -7.302 3.585 19.768 1.00 0.00 C ATOM 1936 NE ARG A 118 -7.624 2.369 20.513 1.00 0.00 N ATOM 1937 CZ ARG A 118 -7.296 2.170 21.788 1.00 0.00 C ATOM 1938 NH1 ARG A 118 -6.642 3.105 22.465 1.00 0.00 N ATOM 1939 NH2 ARG A 118 -7.627 1.036 22.387 1.00 0.00 N ATOM 0 H ARG A 118 -6.363 1.228 18.205 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.200 0.598 18.159 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.866 3.027 16.849 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.342 2.789 18.519 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -6.407 2.802 17.980 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.247 4.324 17.753 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -6.323 3.950 20.080 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -8.026 4.361 20.016 1.00 0.00 H new ATOM 0 HE ARG A 118 -8.130 1.629 20.027 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -6.388 3.981 22.009 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -6.393 2.948 23.442 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -8.133 0.316 21.872 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -7.376 0.883 23.364 1.00 0.00 H new ATOM 1953 N LEU A 119 -7.375 0.140 15.607 1.00 0.00 N ATOM 1954 CA LEU A 119 -7.337 -0.256 14.200 1.00 0.00 C ATOM 1955 C LEU A 119 -7.373 0.961 13.282 1.00 0.00 C ATOM 1956 O LEU A 119 -7.905 0.912 12.170 1.00 0.00 O ATOM 1957 CB LEU A 119 -8.503 -1.182 13.880 1.00 0.00 C ATOM 1958 CG LEU A 119 -8.138 -2.657 13.724 1.00 0.00 C ATOM 1959 CD1 LEU A 119 -9.321 -3.447 13.186 1.00 0.00 C ATOM 1960 CD2 LEU A 119 -6.925 -2.814 12.814 1.00 0.00 C ATOM 0 H LEU A 119 -6.517 -0.056 16.123 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.400 -0.786 14.027 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.247 -1.090 14.671 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.974 -0.841 12.958 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.882 -3.054 14.706 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -9.041 -4.495 13.082 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.160 -3.362 13.877 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.611 -3.050 12.213 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.679 -3.871 12.714 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.151 -2.400 11.831 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.076 -2.283 13.245 1.00 0.00 H new ATOM 1972 N ASP A 120 -6.796 2.042 13.762 1.00 0.00 N ATOM 1973 CA ASP A 120 -6.733 3.290 13.012 1.00 0.00 C ATOM 1974 C ASP A 120 -5.312 3.843 13.023 1.00 0.00 C ATOM 1975 O ASP A 120 -4.625 3.782 14.042 1.00 0.00 O ATOM 1976 CB ASP A 120 -7.701 4.316 13.607 1.00 0.00 C ATOM 1977 CG ASP A 120 -8.435 5.104 12.541 1.00 0.00 C ATOM 1978 OD1 ASP A 120 -7.798 5.959 11.890 1.00 0.00 O ATOM 1979 OD2 ASP A 120 -9.648 4.868 12.359 1.00 0.00 O ATOM 0 H ASP A 120 -6.356 2.086 14.681 1.00 0.00 H new ATOM 0 HA ASP A 120 -7.023 3.090 11.981 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -8.426 3.803 14.240 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -7.149 5.004 14.248 1.00 0.00 H new ATOM 1984 N GLY A 121 -4.869 4.375 11.891 1.00 0.00 N ATOM 1985 CA GLY A 121 -3.525 4.916 11.820 1.00 0.00 C ATOM 1986 C GLY A 121 -3.364 5.986 10.760 1.00 0.00 C ATOM 1987 O GLY A 121 -4.232 6.843 10.593 1.00 0.00 O ATOM 0 H GLY A 121 -5.410 4.442 11.029 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.257 5.333 12.791 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -2.825 4.105 11.617 1.00 0.00 H new ATOM 1991 N MET A 122 -2.241 5.940 10.050 1.00 0.00 N ATOM 1992 CA MET A 122 -1.954 6.917 9.006 1.00 0.00 C ATOM 1993 C MET A 122 -1.352 6.241 7.779 1.00 0.00 C ATOM 1994 O MET A 122 -0.617 5.260 7.894 1.00 0.00 O ATOM 1995 CB MET A 122 -0.996 7.987 9.539 1.00 0.00 C ATOM 1996 CG MET A 122 -0.546 8.987 8.486 1.00 0.00 C ATOM 1997 SD MET A 122 -0.044 10.567 9.198 1.00 0.00 S ATOM 1998 CE MET A 122 -1.579 11.102 9.952 1.00 0.00 C ATOM 0 H MET A 122 -1.514 5.236 10.179 1.00 0.00 H new ATOM 0 HA MET A 122 -2.891 7.389 8.711 1.00 0.00 H new ATOM 0 HB2 MET A 122 -1.483 8.525 10.353 1.00 0.00 H new ATOM 0 HB3 MET A 122 -0.118 7.498 9.961 1.00 0.00 H new ATOM 0 HG2 MET A 122 0.287 8.566 7.923 1.00 0.00 H new ATOM 0 HG3 MET A 122 -1.358 9.153 7.778 1.00 0.00 H new ATOM 0 HE1 MET A 122 -1.860 12.077 9.553 1.00 0.00 H new ATOM 0 HE2 MET A 122 -2.364 10.379 9.730 1.00 0.00 H new ATOM 0 HE3 MET A 122 -1.448 11.176 11.032 1.00 0.00 H new ATOM 2008 N GLY A 123 -1.668 6.774 6.604 1.00 0.00 N ATOM 2009 CA GLY A 123 -1.150 6.214 5.369 1.00 0.00 C ATOM 2010 C GLY A 123 -0.534 7.267 4.473 1.00 0.00 C ATOM 2011 O GLY A 123 -0.420 8.431 4.860 1.00 0.00 O ATOM 0 H GLY A 123 -2.275 7.585 6.484 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.402 5.456 5.602 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -1.956 5.712 4.834 1.00 0.00 H new ATOM 2015 N CYS A 124 -0.136 6.863 3.271 1.00 0.00 N ATOM 2016 CA CYS A 124 0.471 7.785 2.318 1.00 0.00 C ATOM 2017 C CYS A 124 0.797 7.081 1.006 1.00 0.00 C ATOM 2018 O CYS A 124 1.141 5.899 0.994 1.00 0.00 O ATOM 2019 CB CYS A 124 1.746 8.396 2.909 1.00 0.00 C ATOM 2020 SG CYS A 124 3.079 7.204 3.184 1.00 0.00 S ATOM 0 H CYS A 124 -0.223 5.904 2.934 1.00 0.00 H new ATOM 0 HA CYS A 124 -0.248 8.579 2.114 1.00 0.00 H new ATOM 0 HB2 CYS A 124 2.105 9.178 2.240 1.00 0.00 H new ATOM 0 HB3 CYS A 124 1.501 8.875 3.857 1.00 0.00 H new ATOM 0 HG CYS A 124 2.601 5.997 3.122 1.00 0.00 H new ATOM 2026 N LEU A 125 0.697 7.816 -0.096 1.00 0.00 N ATOM 2027 CA LEU A 125 0.994 7.257 -1.410 1.00 0.00 C ATOM 2028 C LEU A 125 2.375 7.703 -1.884 1.00 0.00 C ATOM 2029 O LEU A 125 2.922 8.690 -1.396 1.00 0.00 O ATOM 2030 CB LEU A 125 -0.069 7.677 -2.432 1.00 0.00 C ATOM 2031 CG LEU A 125 -1.313 6.788 -2.489 1.00 0.00 C ATOM 2032 CD1 LEU A 125 -2.352 7.386 -3.427 1.00 0.00 C ATOM 2033 CD2 LEU A 125 -0.944 5.382 -2.932 1.00 0.00 C ATOM 0 H LEU A 125 0.414 8.796 -0.106 1.00 0.00 H new ATOM 0 HA LEU A 125 0.985 6.171 -1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -0.382 8.697 -2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.389 7.695 -3.421 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.742 6.732 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.230 6.741 -3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.639 8.375 -3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.931 7.471 -4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -1.841 4.764 -2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.491 5.420 -3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.235 4.952 -2.225 1.00 0.00 H new ATOM 2045 N GLU A 126 2.932 6.965 -2.835 1.00 0.00 N ATOM 2046 CA GLU A 126 4.246 7.275 -3.381 1.00 0.00 C ATOM 2047 C GLU A 126 4.329 6.806 -4.828 1.00 0.00 C ATOM 2048 O GLU A 126 3.579 5.926 -5.240 1.00 0.00 O ATOM 2049 CB GLU A 126 5.344 6.610 -2.548 1.00 0.00 C ATOM 2050 CG GLU A 126 6.749 7.027 -2.949 1.00 0.00 C ATOM 2051 CD GLU A 126 7.820 6.250 -2.210 1.00 0.00 C ATOM 2052 OE1 GLU A 126 7.685 5.014 -2.094 1.00 0.00 O ATOM 2053 OE2 GLU A 126 8.796 6.878 -1.746 1.00 0.00 O ATOM 0 H GLU A 126 2.491 6.142 -3.246 1.00 0.00 H new ATOM 0 HA GLU A 126 4.393 8.354 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 126 5.188 6.853 -1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 126 5.255 5.528 -2.642 1.00 0.00 H new ATOM 0 HG2 GLU A 126 6.875 6.882 -4.022 1.00 0.00 H new ATOM 0 HG3 GLU A 126 6.878 8.092 -2.754 1.00 0.00 H new ATOM 2060 N PHE A 127 5.235 7.389 -5.599 1.00 0.00 N ATOM 2061 CA PHE A 127 5.388 7.009 -6.990 1.00 0.00 C ATOM 2062 C PHE A 127 6.763 6.380 -7.211 1.00 0.00 C ATOM 2063 O PHE A 127 7.759 6.828 -6.644 1.00 0.00 O ATOM 2064 CB PHE A 127 5.175 8.233 -7.881 1.00 0.00 C ATOM 2065 CG PHE A 127 5.859 8.157 -9.206 1.00 0.00 C ATOM 2066 CD1 PHE A 127 7.199 8.457 -9.312 1.00 0.00 C ATOM 2067 CD2 PHE A 127 5.159 7.793 -10.342 1.00 0.00 C ATOM 2068 CE1 PHE A 127 7.839 8.394 -10.534 1.00 0.00 C ATOM 2069 CE2 PHE A 127 5.789 7.729 -11.567 1.00 0.00 C ATOM 2070 CZ PHE A 127 7.133 8.031 -11.665 1.00 0.00 C ATOM 0 H PHE A 127 5.871 8.122 -5.285 1.00 0.00 H new ATOM 0 HA PHE A 127 4.638 6.264 -7.255 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.106 8.367 -8.045 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.530 9.118 -7.353 1.00 0.00 H new ATOM 0 HD1 PHE A 127 7.754 8.744 -8.431 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.108 7.556 -10.269 1.00 0.00 H new ATOM 0 HE1 PHE A 127 8.891 8.628 -10.606 1.00 0.00 H new ATOM 0 HE2 PHE A 127 5.233 7.443 -12.448 1.00 0.00 H new ATOM 0 HZ PHE A 127 7.631 7.984 -12.622 1.00 0.00 H new ATOM 2080 N ASP A 128 6.804 5.327 -8.021 1.00 0.00 N ATOM 2081 CA ASP A 128 8.054 4.625 -8.294 1.00 0.00 C ATOM 2082 C ASP A 128 8.778 5.221 -9.497 1.00 0.00 C ATOM 2083 O ASP A 128 8.392 4.994 -10.642 1.00 0.00 O ATOM 2084 CB ASP A 128 7.780 3.140 -8.539 1.00 0.00 C ATOM 2085 CG ASP A 128 8.868 2.250 -7.970 1.00 0.00 C ATOM 2086 OD1 ASP A 128 9.875 2.021 -8.672 1.00 0.00 O ATOM 2087 OD2 ASP A 128 8.712 1.783 -6.822 1.00 0.00 O ATOM 0 H ASP A 128 5.989 4.942 -8.499 1.00 0.00 H new ATOM 0 HA ASP A 128 8.697 4.738 -7.421 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.823 2.871 -8.091 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.692 2.962 -9.611 1.00 0.00 H new ATOM 2092 N GLU A 129 9.839 5.976 -9.225 1.00 0.00 N ATOM 2093 CA GLU A 129 10.629 6.601 -10.280 1.00 0.00 C ATOM 2094 C GLU A 129 11.476 5.560 -11.008 1.00 0.00 C ATOM 2095 O GLU A 129 11.842 5.744 -12.169 1.00 0.00 O ATOM 2096 CB GLU A 129 11.531 7.691 -9.691 1.00 0.00 C ATOM 2097 CG GLU A 129 11.120 9.105 -10.074 1.00 0.00 C ATOM 2098 CD GLU A 129 12.253 10.101 -9.926 1.00 0.00 C ATOM 2099 OE1 GLU A 129 13.183 10.070 -10.758 1.00 0.00 O ATOM 2100 OE2 GLU A 129 12.209 10.914 -8.978 1.00 0.00 O ATOM 0 H GLU A 129 10.172 6.170 -8.280 1.00 0.00 H new ATOM 0 HA GLU A 129 9.945 7.055 -10.997 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.527 7.604 -8.604 1.00 0.00 H new ATOM 0 HB3 GLU A 129 12.555 7.519 -10.021 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.769 9.110 -11.106 1.00 0.00 H new ATOM 0 HG3 GLU A 129 10.282 9.418 -9.450 1.00 0.00 H new