USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 731 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 55 TYR OH : rot -51:sc= 0.673 USER MOD Set 1.2: A 80 TYR OH : rot -35:sc= 1.04 USER MOD Set 2.1: A 26 THR OG1 : rot -44:sc= 1.27 USER MOD Set 2.2: A 68 HIS : no HD1:sc= 1.05 K(o=2.3,f=-5.3!) USER MOD Single : A 12 MET CE :methyl -175:sc= -0.346 (180deg=-0.421) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -0.465 K(o=-0.46,f=-3!) USER MOD Single : A 17 TYR OH : rot 100:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -130:sc=-0.00434 (180deg=-0.585) USER MOD Single : A 28 THR OG1 : rot 26:sc= 0.218 USER MOD Single : A 29 CYS SG : rot 13:sc= -0.153 USER MOD Single : A 34 ASN : amide:sc= -0.0567 K(o=-0.057,f=-1.8!) USER MOD Single : A 36 LYS NZ :NH3+ 164:sc= 0.892 (180deg=0.439) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= 1.83 (180deg=1.7) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.516 USER MOD Single : A 54 HIS : no HD1:sc= -0.104 K(o=-0.1,f=-1.8!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0023 X(o=-0.0023,f=-0.025) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0561 USER MOD Single : A 65 CYS SG : rot 180:sc= 0.71 USER MOD Single : A 66 SER OG : rot 34:sc= 0.0397 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 100:sc= 0 USER MOD Single : A 73 THR OG1 : rot -54:sc= 0.873 USER MOD Single : A 79 ASN : amide:sc= -0.0264 K(o=-0.026,f=-2.2!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 168:sc= 0 (180deg=-0.0532) USER MOD Single : A 86 ASN : amide:sc= -0.437! C(o=-0.44!,f=-11!) USER MOD Single : A 88 GLN : amide:sc= -0.0654 X(o=-0.065,f=-0.12) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -163:sc= -0.0352 (180deg=-0.359) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 7 -1.797 10.094 3.561 1.00 0.00 N ATOM 67 CA ALA A 7 -3.178 10.428 3.239 1.00 0.00 C ATOM 68 C ALA A 7 -3.752 11.426 4.236 1.00 0.00 C ATOM 69 O ALA A 7 -3.353 11.455 5.399 1.00 0.00 O ATOM 70 CB ALA A 7 -4.036 9.172 3.192 1.00 0.00 C ATOM 0 HA ALA A 7 -3.186 10.894 2.254 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.064 9.442 2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.650 8.496 2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.010 8.677 4.163 1.00 0.00 H new ATOM 76 N PRO A 8 -4.690 12.245 3.774 1.00 0.00 N ATOM 77 CA PRO A 8 -5.328 13.240 4.627 1.00 0.00 C ATOM 78 C PRO A 8 -5.932 12.596 5.868 1.00 0.00 C ATOM 79 O PRO A 8 -6.580 11.549 5.784 1.00 0.00 O ATOM 80 CB PRO A 8 -6.395 13.874 3.729 1.00 0.00 C ATOM 81 CG PRO A 8 -5.881 13.675 2.343 1.00 0.00 C ATOM 82 CD PRO A 8 -5.186 12.340 2.364 1.00 0.00 C ATOM 0 HA PRO A 8 -4.626 13.981 5.009 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.365 13.395 3.866 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.527 14.932 3.955 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.694 13.684 1.617 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.193 14.472 2.061 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.868 11.525 2.120 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.369 12.298 1.644 1.00 0.00 H new ATOM 90 N PHE A 9 -5.720 13.222 7.020 1.00 0.00 N ATOM 91 CA PHE A 9 -6.271 12.728 8.275 1.00 0.00 C ATOM 92 C PHE A 9 -6.447 13.858 9.282 1.00 0.00 C ATOM 93 O PHE A 9 -5.495 14.567 9.608 1.00 0.00 O ATOM 94 CB PHE A 9 -5.373 11.636 8.859 1.00 0.00 C ATOM 95 CG PHE A 9 -5.824 11.134 10.201 1.00 0.00 C ATOM 96 CD1 PHE A 9 -6.858 10.217 10.303 1.00 0.00 C ATOM 97 CD2 PHE A 9 -5.214 11.579 11.364 1.00 0.00 C ATOM 98 CE1 PHE A 9 -7.274 9.754 11.538 1.00 0.00 C ATOM 99 CE2 PHE A 9 -5.627 11.118 12.599 1.00 0.00 C ATOM 100 CZ PHE A 9 -6.658 10.205 12.685 1.00 0.00 C ATOM 0 H PHE A 9 -5.169 14.075 7.110 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.253 12.304 8.066 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.335 10.799 8.162 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.358 12.023 8.948 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.345 9.860 9.408 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.407 12.294 11.304 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -8.081 9.039 11.603 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.143 11.472 13.497 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.982 9.844 13.650 1.00 0.00 H new ATOM 110 N PHE A 10 -7.671 14.020 9.774 1.00 0.00 N ATOM 111 CA PHE A 10 -7.974 15.064 10.748 1.00 0.00 C ATOM 112 C PHE A 10 -7.338 14.756 12.098 1.00 0.00 C ATOM 113 O PHE A 10 -7.972 14.163 12.971 1.00 0.00 O ATOM 114 CB PHE A 10 -9.486 15.228 10.903 1.00 0.00 C ATOM 115 CG PHE A 10 -10.166 15.773 9.679 1.00 0.00 C ATOM 116 CD1 PHE A 10 -9.973 17.090 9.289 1.00 0.00 C ATOM 117 CD2 PHE A 10 -11.000 14.971 8.915 1.00 0.00 C ATOM 118 CE1 PHE A 10 -10.597 17.593 8.164 1.00 0.00 C ATOM 119 CE2 PHE A 10 -11.624 15.471 7.789 1.00 0.00 C ATOM 120 CZ PHE A 10 -11.423 16.782 7.414 1.00 0.00 C ATOM 0 H PHE A 10 -8.470 13.442 9.514 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.554 15.999 10.378 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -9.923 14.261 11.150 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -9.686 15.892 11.744 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -9.327 17.730 9.872 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -11.164 13.943 9.204 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.438 18.621 7.872 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -12.270 14.835 7.202 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.912 17.174 6.534 1.00 0.00 H new ATOM 130 N GLU A 11 -6.082 15.160 12.262 1.00 0.00 N ATOM 131 CA GLU A 11 -5.417 15.080 13.556 1.00 0.00 C ATOM 132 C GLU A 11 -6.080 15.998 14.576 1.00 0.00 C ATOM 133 O GLU A 11 -5.943 15.805 15.783 1.00 0.00 O ATOM 134 CB GLU A 11 -3.933 15.433 13.417 1.00 0.00 C ATOM 135 CG GLU A 11 -3.662 16.900 13.109 1.00 0.00 C ATOM 136 CD GLU A 11 -2.187 17.184 13.058 1.00 0.00 C ATOM 137 OE1 GLU A 11 -1.523 16.956 14.040 1.00 0.00 O ATOM 138 OE2 GLU A 11 -1.705 17.522 12.003 1.00 0.00 O1- ATOM 0 H GLU A 11 -5.505 15.546 11.514 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.506 14.054 13.914 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.421 15.168 14.342 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.499 14.822 12.626 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.118 17.164 12.155 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.129 17.526 13.870 1.00 0.00 H new ATOM 145 N MET A 12 -6.801 16.999 14.080 1.00 0.00 N ATOM 146 CA MET A 12 -7.687 17.795 14.924 1.00 0.00 C ATOM 147 C MET A 12 -9.051 17.974 14.272 1.00 0.00 C ATOM 148 O MET A 12 -9.175 18.632 13.237 1.00 0.00 O ATOM 149 CB MET A 12 -7.058 19.155 15.217 1.00 0.00 C ATOM 150 CG MET A 12 -7.903 20.063 16.100 1.00 0.00 C ATOM 151 SD MET A 12 -7.063 21.602 16.521 1.00 0.00 S ATOM 152 CE MET A 12 -7.185 22.490 14.971 1.00 0.00 C ATOM 0 H MET A 12 -6.789 17.278 13.099 1.00 0.00 H new ATOM 0 HA MET A 12 -7.829 17.261 15.864 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.092 18.999 15.697 1.00 0.00 H new ATOM 0 HB3 MET A 12 -6.866 19.664 14.272 1.00 0.00 H new ATOM 0 HG2 MET A 12 -8.838 20.292 15.589 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.162 19.533 17.016 1.00 0.00 H new ATOM 0 HE1 MET A 12 -6.633 23.427 15.044 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.765 21.882 14.170 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.232 22.702 14.755 1.00 0.00 H new ATOM 162 N LYS A 13 -10.076 17.387 14.884 1.00 0.00 N ATOM 163 CA LYS A 13 -11.394 17.308 14.265 1.00 0.00 C ATOM 164 C LYS A 13 -12.303 18.428 14.756 1.00 0.00 C ATOM 165 O LYS A 13 -12.001 19.094 15.748 1.00 0.00 O ATOM 166 CB LYS A 13 -12.037 15.949 14.545 1.00 0.00 C ATOM 167 CG LYS A 13 -11.292 14.766 13.942 1.00 0.00 C ATOM 168 CD LYS A 13 -11.999 13.453 14.248 1.00 0.00 C ATOM 169 CE LYS A 13 -11.284 12.275 13.603 1.00 0.00 C ATOM 170 NZ LYS A 13 -11.976 10.986 13.877 1.00 0.00 N1+ ATOM 0 H LYS A 13 -10.018 16.959 15.808 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.263 17.423 13.189 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.106 15.808 15.624 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.056 15.956 14.159 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.212 14.896 12.863 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.276 14.735 14.335 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.046 13.306 15.327 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.027 13.499 13.888 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.224 12.433 12.526 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.261 12.224 13.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.457 10.209 13.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.011 10.822 14.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.944 11.025 13.499 1.00 0.00 H new ATOM 184 N LEU A 14 -13.414 18.631 14.056 1.00 0.00 N ATOM 185 CA LEU A 14 -14.396 19.631 14.457 1.00 0.00 C ATOM 186 C LEU A 14 -15.341 19.079 15.516 1.00 0.00 C ATOM 187 O LEU A 14 -15.317 17.888 15.827 1.00 0.00 O ATOM 188 CB LEU A 14 -15.188 20.114 13.236 1.00 0.00 C ATOM 189 CG LEU A 14 -14.353 20.795 12.144 1.00 0.00 C ATOM 190 CD1 LEU A 14 -15.242 21.178 10.968 1.00 0.00 C ATOM 191 CD2 LEU A 14 -13.664 22.023 12.721 1.00 0.00 C ATOM 0 H LEU A 14 -13.657 18.117 13.209 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.862 20.477 14.890 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.704 19.260 12.797 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.955 20.812 13.573 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.592 20.102 11.785 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.640 21.661 10.198 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.707 20.282 10.556 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.017 21.866 11.307 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.071 22.506 11.944 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.415 22.721 13.091 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.012 21.723 13.541 1.00 0.00 H new ATOM 203 N LYS A 15 -16.171 19.954 16.076 1.00 0.00 N ATOM 204 CA LYS A 15 -17.193 19.540 17.029 1.00 0.00 C ATOM 205 C LYS A 15 -18.530 20.202 16.724 1.00 0.00 C ATOM 206 O LYS A 15 -18.643 20.993 15.787 1.00 0.00 O ATOM 207 CB LYS A 15 -16.755 19.868 18.457 1.00 0.00 C ATOM 208 CG LYS A 15 -16.569 21.354 18.733 1.00 0.00 C ATOM 209 CD LYS A 15 -16.085 21.597 20.154 1.00 0.00 C ATOM 210 CE LYS A 15 -15.949 23.084 20.447 1.00 0.00 C ATOM 211 NZ LYS A 15 -15.495 23.338 21.841 1.00 0.00 N1+ ATOM 0 H LYS A 15 -16.155 20.956 15.885 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.320 18.461 16.937 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.496 19.472 19.151 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -15.817 19.352 18.664 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.851 21.770 18.026 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -17.512 21.876 18.574 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.784 21.148 20.860 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.123 21.106 20.301 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.240 23.528 19.748 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.908 23.575 20.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.415 24.363 21.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.184 22.937 22.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.568 22.892 21.991 1.00 0.00 H new ATOM 225 N HIS A 16 -19.542 19.873 17.523 1.00 0.00 N ATOM 226 CA HIS A 16 -20.844 20.520 17.414 1.00 0.00 C ATOM 227 C HIS A 16 -20.792 21.948 17.936 1.00 0.00 C ATOM 228 O HIS A 16 -20.694 22.173 19.145 1.00 0.00 O ATOM 229 CB HIS A 16 -21.911 19.724 18.173 1.00 0.00 C ATOM 230 CG HIS A 16 -23.296 20.266 18.007 1.00 0.00 C ATOM 231 ND1 HIS A 16 -24.391 19.718 18.645 1.00 0.00 N ATOM 232 CD2 HIS A 16 -23.767 21.304 17.278 1.00 0.00 C ATOM 233 CE1 HIS A 16 -25.475 20.398 18.314 1.00 0.00 C ATOM 234 NE2 HIS A 16 -25.123 21.364 17.486 1.00 0.00 N ATOM 0 H HIS A 16 -19.484 19.162 18.252 1.00 0.00 H new ATOM 0 HA HIS A 16 -21.111 20.548 16.358 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.892 18.689 17.831 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -21.659 19.714 19.233 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -24.367 18.915 19.273 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -23.185 21.962 16.650 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -26.478 20.198 18.662 1.00 0.00 H new ATOM 242 N TYR A 17 -20.863 22.914 17.027 1.00 0.00 N ATOM 243 CA TYR A 17 -20.734 24.320 17.384 1.00 0.00 C ATOM 244 C TYR A 17 -22.098 24.966 17.588 1.00 0.00 C ATOM 245 O TYR A 17 -23.059 24.642 16.890 1.00 0.00 O ATOM 246 CB TYR A 17 -19.951 25.075 16.307 1.00 0.00 C ATOM 247 CG TYR A 17 -18.532 24.587 16.126 1.00 0.00 C ATOM 248 CD1 TYR A 17 -17.555 24.877 17.067 1.00 0.00 C ATOM 249 CD2 TYR A 17 -18.171 23.841 15.013 1.00 0.00 C ATOM 250 CE1 TYR A 17 -16.256 24.435 16.906 1.00 0.00 C ATOM 251 CE2 TYR A 17 -16.875 23.393 14.842 1.00 0.00 C ATOM 252 CZ TYR A 17 -15.920 23.692 15.792 1.00 0.00 C ATOM 253 OH TYR A 17 -14.628 23.250 15.628 1.00 0.00 O ATOM 0 H TYR A 17 -21.010 22.746 16.032 1.00 0.00 H new ATOM 0 HA TYR A 17 -20.188 24.375 18.326 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.479 24.986 15.358 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -19.931 26.135 16.562 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -17.814 25.458 17.940 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -18.916 23.606 14.267 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.507 24.670 17.648 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.611 22.813 13.970 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.567 22.310 15.900 1.00 0.00 H new ATOM 263 N LYS A 18 -22.174 25.880 18.549 1.00 0.00 N ATOM 264 CA LYS A 18 -23.407 26.612 18.810 1.00 0.00 C ATOM 265 C LYS A 18 -23.133 28.102 18.993 1.00 0.00 C ATOM 266 O LYS A 18 -22.158 28.490 19.632 1.00 0.00 O ATOM 267 CB LYS A 18 -24.113 26.052 20.046 1.00 0.00 C ATOM 268 CG LYS A 18 -24.656 24.640 19.873 1.00 0.00 C ATOM 269 CD LYS A 18 -25.435 24.192 21.101 1.00 0.00 C ATOM 270 CE LYS A 18 -25.953 22.771 20.941 1.00 0.00 C ATOM 271 NZ LYS A 18 -26.723 22.321 22.133 1.00 0.00 N1+ ATOM 0 H LYS A 18 -21.397 26.131 19.160 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.058 26.487 17.945 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.415 26.060 20.883 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -24.936 26.715 20.311 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.302 24.602 18.996 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -23.831 23.951 19.692 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.795 24.251 21.981 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -26.272 24.869 21.270 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.588 22.714 20.057 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.114 22.096 20.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -27.058 21.348 21.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -26.111 22.351 22.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.539 22.950 22.277 1.00 0.00 H new ATOM 285 N ILE A 19 -24.007 28.931 18.430 1.00 0.00 N ATOM 286 CA ILE A 19 -23.842 30.378 18.500 1.00 0.00 C ATOM 287 C ILE A 19 -25.190 31.085 18.506 1.00 0.00 C ATOM 288 O ILE A 19 -26.165 30.590 17.941 1.00 0.00 O ATOM 289 CB ILE A 19 -23.000 30.910 17.326 1.00 0.00 C ATOM 290 CG1 ILE A 19 -22.547 32.346 17.601 1.00 0.00 C ATOM 291 CG2 ILE A 19 -23.789 30.835 16.029 1.00 0.00 C ATOM 292 CD1 ILE A 19 -21.536 32.465 18.718 1.00 0.00 C ATOM 0 H ILE A 19 -24.836 28.625 17.921 1.00 0.00 H new ATOM 0 HA ILE A 19 -23.319 30.589 19.433 1.00 0.00 H new ATOM 0 HB ILE A 19 -22.113 30.284 17.224 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -22.118 32.762 16.690 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -23.419 32.951 17.848 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -23.179 31.215 15.210 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -24.062 29.799 15.828 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -24.693 31.437 16.118 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -21.264 33.512 18.853 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -21.968 32.080 19.642 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -20.646 31.889 18.466 1.00 0.00 H new ATOM 304 N PHE A 20 -25.240 32.251 19.149 1.00 0.00 N ATOM 305 CA PHE A 20 -26.428 33.092 19.113 1.00 0.00 C ATOM 306 C PHE A 20 -26.512 33.874 17.811 1.00 0.00 C ATOM 307 O PHE A 20 -25.494 34.288 17.254 1.00 0.00 O ATOM 308 CB PHE A 20 -26.439 34.053 20.303 1.00 0.00 C ATOM 309 CG PHE A 20 -26.917 33.427 21.582 1.00 0.00 C ATOM 310 CD1 PHE A 20 -28.270 33.246 21.821 1.00 0.00 C ATOM 311 CD2 PHE A 20 -26.011 33.018 22.551 1.00 0.00 C ATOM 312 CE1 PHE A 20 -28.711 32.672 22.997 1.00 0.00 C ATOM 313 CE2 PHE A 20 -26.450 32.442 23.728 1.00 0.00 C ATOM 314 CZ PHE A 20 -27.800 32.269 23.952 1.00 0.00 C ATOM 0 H PHE A 20 -24.470 32.631 19.700 1.00 0.00 H new ATOM 0 HA PHE A 20 -27.299 32.439 19.175 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -25.432 34.442 20.454 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -27.077 34.904 20.065 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -28.989 33.558 21.078 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -24.952 33.151 22.383 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -29.769 32.538 23.169 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -25.735 32.127 24.474 1.00 0.00 H new ATOM 0 HZ PHE A 20 -28.143 31.819 24.872 1.00 0.00 H new ATOM 324 N GLU A 21 -27.731 34.076 17.323 1.00 0.00 N ATOM 325 CA GLU A 21 -27.950 34.757 16.052 1.00 0.00 C ATOM 326 C GLU A 21 -27.282 36.127 16.042 1.00 0.00 C ATOM 327 O GLU A 21 -27.528 36.956 16.919 1.00 0.00 O ATOM 328 CB GLU A 21 -29.448 34.899 15.771 1.00 0.00 C ATOM 329 CG GLU A 21 -29.777 35.523 14.422 1.00 0.00 C ATOM 330 CD GLU A 21 -31.263 35.647 14.227 1.00 0.00 C ATOM 331 OE1 GLU A 21 -31.995 35.152 15.050 1.00 0.00 O ATOM 332 OE2 GLU A 21 -31.667 36.332 13.316 1.00 0.00 O1- ATOM 0 H GLU A 21 -28.586 33.776 17.791 1.00 0.00 H new ATOM 0 HA GLU A 21 -27.500 34.151 15.266 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -29.911 33.913 15.825 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -29.897 35.505 16.558 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -29.315 36.508 14.352 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -29.353 34.914 13.624 1.00 0.00 H new ATOM 339 N GLY A 22 -26.433 36.358 15.047 1.00 0.00 N ATOM 340 CA GLY A 22 -25.837 37.672 14.840 1.00 0.00 C ATOM 341 C GLY A 22 -24.399 37.710 15.342 1.00 0.00 C ATOM 342 O GLY A 22 -23.633 38.610 14.998 1.00 0.00 O ATOM 0 H GLY A 22 -26.142 35.652 14.371 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -25.861 37.922 13.779 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.426 38.428 15.359 1.00 0.00 H new ATOM 346 N MET A 23 -24.037 36.727 16.158 1.00 0.00 N ATOM 347 CA MET A 23 -22.717 36.688 16.775 1.00 0.00 C ATOM 348 C MET A 23 -21.692 36.045 15.851 1.00 0.00 C ATOM 349 O MET A 23 -22.040 35.235 14.994 1.00 0.00 O ATOM 350 CB MET A 23 -22.778 35.934 18.102 1.00 0.00 C ATOM 351 CG MET A 23 -23.706 36.553 19.136 1.00 0.00 C ATOM 352 SD MET A 23 -23.186 38.206 19.637 1.00 0.00 S ATOM 353 CE MET A 23 -21.728 37.823 20.605 1.00 0.00 C ATOM 0 H MET A 23 -24.641 35.944 16.408 1.00 0.00 H new ATOM 0 HA MET A 23 -22.403 37.715 16.961 1.00 0.00 H new ATOM 0 HB2 MET A 23 -23.100 34.911 17.910 1.00 0.00 H new ATOM 0 HB3 MET A 23 -21.773 35.879 18.521 1.00 0.00 H new ATOM 0 HG2 MET A 23 -24.716 36.602 18.729 1.00 0.00 H new ATOM 0 HG3 MET A 23 -23.747 35.908 20.014 1.00 0.00 H new ATOM 0 HE1 MET A 23 -21.786 38.332 21.567 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.671 36.747 20.767 1.00 0.00 H new ATOM 0 HE3 MET A 23 -20.839 38.157 20.071 1.00 0.00 H new ATOM 363 N PRO A 24 -20.430 36.411 16.031 1.00 0.00 N ATOM 364 CA PRO A 24 -19.348 35.862 15.220 1.00 0.00 C ATOM 365 C PRO A 24 -19.009 34.438 15.642 1.00 0.00 C ATOM 366 O PRO A 24 -19.237 34.051 16.790 1.00 0.00 O ATOM 367 CB PRO A 24 -18.179 36.824 15.451 1.00 0.00 C ATOM 368 CG PRO A 24 -18.402 37.357 16.825 1.00 0.00 C ATOM 369 CD PRO A 24 -19.897 37.457 16.976 1.00 0.00 C ATOM 0 HA PRO A 24 -19.610 35.787 14.165 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.221 36.310 15.375 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.171 37.624 14.711 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.974 36.695 17.578 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.928 38.331 16.951 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -20.208 37.263 18.002 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.259 38.452 16.716 1.00 0.00 H new ATOM 377 N VAL A 25 -18.465 33.662 14.712 1.00 0.00 N ATOM 378 CA VAL A 25 -18.055 32.292 14.997 1.00 0.00 C ATOM 379 C VAL A 25 -16.659 32.010 14.454 1.00 0.00 C ATOM 380 O VAL A 25 -16.396 32.202 13.265 1.00 0.00 O ATOM 381 CB VAL A 25 -19.044 31.272 14.402 1.00 0.00 C ATOM 382 CG1 VAL A 25 -18.599 29.851 14.719 1.00 0.00 C ATOM 383 CG2 VAL A 25 -20.449 31.519 14.932 1.00 0.00 C ATOM 0 H VAL A 25 -18.297 33.959 13.751 1.00 0.00 H new ATOM 0 HA VAL A 25 -18.046 32.185 16.082 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.057 31.397 13.319 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -19.309 29.143 14.291 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.611 29.676 14.293 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.558 29.715 15.800 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -21.134 30.789 14.501 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -20.451 31.421 16.018 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -20.770 32.524 14.658 1.00 0.00 H new ATOM 393 N THR A 26 -15.770 31.555 15.329 1.00 0.00 N ATOM 394 CA THR A 26 -14.392 31.265 14.940 1.00 0.00 C ATOM 395 C THR A 26 -13.989 29.853 15.357 1.00 0.00 C ATOM 396 O THR A 26 -14.069 29.498 16.531 1.00 0.00 O ATOM 397 CB THR A 26 -13.407 32.275 15.558 1.00 0.00 C ATOM 398 OG1 THR A 26 -13.767 33.603 15.160 1.00 0.00 O ATOM 399 CG2 THR A 26 -11.986 31.980 15.104 1.00 0.00 C ATOM 0 H THR A 26 -15.977 31.378 16.312 1.00 0.00 H new ATOM 0 HA THR A 26 -14.346 31.347 13.854 1.00 0.00 H new ATOM 0 HB THR A 26 -13.455 32.189 16.644 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.983 33.611 14.204 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.304 32.703 15.550 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.705 30.975 15.418 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.929 32.050 14.018 1.00 0.00 H new ATOM 407 N PHE A 27 -13.559 29.059 14.386 1.00 0.00 N ATOM 408 CA PHE A 27 -12.994 27.743 14.669 1.00 0.00 C ATOM 409 C PHE A 27 -12.105 27.268 13.527 1.00 0.00 C ATOM 410 O PHE A 27 -12.144 27.820 12.428 1.00 0.00 O ATOM 411 CB PHE A 27 -14.108 26.727 14.925 1.00 0.00 C ATOM 412 CG PHE A 27 -15.058 26.565 13.772 1.00 0.00 C ATOM 413 CD1 PHE A 27 -16.164 27.391 13.644 1.00 0.00 C ATOM 414 CD2 PHE A 27 -14.846 25.586 12.812 1.00 0.00 C ATOM 415 CE1 PHE A 27 -17.039 27.243 12.585 1.00 0.00 C ATOM 416 CE2 PHE A 27 -15.719 25.436 11.751 1.00 0.00 C ATOM 417 CZ PHE A 27 -16.815 26.264 11.637 1.00 0.00 C ATOM 0 H PHE A 27 -13.590 29.301 13.396 1.00 0.00 H new ATOM 0 HA PHE A 27 -12.380 27.829 15.565 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -13.660 25.760 15.153 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -14.671 27.033 15.807 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -16.344 28.160 14.381 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -13.989 24.934 12.895 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -17.898 27.892 12.499 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -15.542 24.670 11.011 1.00 0.00 H new ATOM 0 HZ PHE A 27 -17.497 26.147 10.808 1.00 0.00 H new ATOM 427 N THR A 28 -11.301 26.245 13.794 1.00 0.00 N ATOM 428 CA THR A 28 -10.271 25.815 12.857 1.00 0.00 C ATOM 429 C THR A 28 -10.077 24.304 12.905 1.00 0.00 C ATOM 430 O THR A 28 -10.472 23.650 13.871 1.00 0.00 O ATOM 431 CB THR A 28 -8.924 26.504 13.142 1.00 0.00 C ATOM 432 OG1 THR A 28 -7.979 26.156 12.122 1.00 0.00 O ATOM 433 CG2 THR A 28 -8.382 26.074 14.498 1.00 0.00 C ATOM 0 H THR A 28 -11.343 25.697 14.653 1.00 0.00 H new ATOM 0 HA THR A 28 -10.613 26.103 11.863 1.00 0.00 H new ATOM 0 HB THR A 28 -9.080 27.583 13.149 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.457 25.923 11.299 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.429 26.571 14.683 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.092 26.349 15.278 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.236 24.994 14.505 1.00 0.00 H new ATOM 441 N CYS A 29 -9.467 23.753 11.858 1.00 0.00 N ATOM 442 CA CYS A 29 -9.222 22.322 11.783 1.00 0.00 C ATOM 443 C CYS A 29 -7.845 22.026 11.206 1.00 0.00 C ATOM 444 O CYS A 29 -7.334 22.785 10.378 1.00 0.00 O ATOM 445 CB CYS A 29 -10.320 21.842 10.833 1.00 0.00 C ATOM 446 SG CYS A 29 -10.587 20.052 10.839 1.00 0.00 S ATOM 0 H CYS A 29 -9.134 24.280 11.051 1.00 0.00 H new ATOM 0 HA CYS A 29 -9.241 21.833 12.757 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.254 22.337 11.098 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.069 22.156 9.820 1.00 0.00 H new ATOM 0 HG CYS A 29 -9.974 19.525 11.857 1.00 0.00 H new ATOM 452 N ARG A 30 -7.246 20.925 11.641 1.00 0.00 N ATOM 453 CA ARG A 30 -5.881 20.595 11.263 1.00 0.00 C ATOM 454 C ARG A 30 -5.767 19.139 10.821 1.00 0.00 C ATOM 455 O ARG A 30 -6.366 18.248 11.423 1.00 0.00 O ATOM 456 CB ARG A 30 -4.886 20.923 12.367 1.00 0.00 C ATOM 457 CG ARG A 30 -3.441 20.574 12.051 1.00 0.00 C ATOM 458 CD ARG A 30 -2.471 20.967 13.104 1.00 0.00 C ATOM 459 NE ARG A 30 -1.097 20.573 12.837 1.00 0.00 N ATOM 460 CZ ARG A 30 -0.038 20.931 13.589 1.00 0.00 C ATOM 461 NH1 ARG A 30 -0.183 21.721 14.631 1.00 0.00 N1+ ATOM 462 NH2 ARG A 30 1.156 20.488 13.237 1.00 0.00 N ATOM 0 H ARG A 30 -7.688 20.244 12.258 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.623 21.223 10.410 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.947 21.989 12.586 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.183 20.394 13.272 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.367 19.499 11.889 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.159 21.058 11.116 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.508 22.049 13.228 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.784 20.527 14.051 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.923 19.984 12.023 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.108 22.072 14.880 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.629 21.982 15.190 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.257 19.892 12.415 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.977 20.742 13.787 1.00 0.00 H new ATOM 476 N VAL A 31 -4.997 18.908 9.763 1.00 0.00 N ATOM 477 CA VAL A 31 -4.804 17.562 9.235 1.00 0.00 C ATOM 478 C VAL A 31 -3.323 17.206 9.162 1.00 0.00 C ATOM 479 O VAL A 31 -2.478 18.075 8.955 1.00 0.00 O ATOM 480 CB VAL A 31 -5.430 17.411 7.835 1.00 0.00 C ATOM 481 CG1 VAL A 31 -6.936 17.609 7.900 1.00 0.00 C ATOM 482 CG2 VAL A 31 -4.804 18.399 6.863 1.00 0.00 C ATOM 0 H VAL A 31 -4.496 19.636 9.254 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.304 16.879 9.922 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.231 16.401 7.476 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.361 17.499 6.902 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.373 16.864 8.565 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.156 18.607 8.280 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.258 18.279 5.879 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.973 19.416 7.218 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.732 18.212 6.794 1.00 0.00 H new ATOM 492 N ALA A 32 -3.020 15.923 9.330 1.00 0.00 N ATOM 493 CA ALA A 32 -1.656 15.433 9.173 1.00 0.00 C ATOM 494 C ALA A 32 -1.450 14.803 7.801 1.00 0.00 C ATOM 495 O ALA A 32 -1.212 13.601 7.691 1.00 0.00 O ATOM 496 CB ALA A 32 -1.324 14.437 10.276 1.00 0.00 C ATOM 0 H ALA A 32 -3.701 15.204 9.575 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.979 16.283 9.253 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.303 14.079 10.147 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.418 14.924 11.247 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.013 13.594 10.225 1.00 0.00 H new ATOM 502 N GLY A 33 -1.550 15.619 6.760 1.00 0.00 N ATOM 503 CA GLY A 33 -1.483 15.127 5.389 1.00 0.00 C ATOM 504 C GLY A 33 -0.137 15.448 4.754 1.00 0.00 C ATOM 505 O GLY A 33 0.583 16.334 5.215 1.00 0.00 O ATOM 0 H GLY A 33 -1.678 16.628 6.839 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.645 14.049 5.378 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.282 15.576 4.799 1.00 0.00 H new ATOM 509 N ASN A 34 0.199 14.724 3.685 1.00 0.00 N ATOM 510 CA ASN A 34 1.440 14.964 2.953 1.00 0.00 C ATOM 511 C ASN A 34 1.332 14.468 1.530 1.00 0.00 C ATOM 512 O ASN A 34 1.362 13.263 1.271 1.00 0.00 O ATOM 513 CB ASN A 34 2.620 14.269 3.690 1.00 0.00 C ATOM 514 CG ASN A 34 4.035 14.607 3.207 1.00 0.00 C ATOM 515 OD1 ASN A 34 4.256 15.021 2.079 1.00 0.00 O ATOM 516 ND2 ASN A 34 5.039 14.425 4.022 1.00 0.00 N ATOM 0 H ASN A 34 -0.372 13.967 3.308 1.00 0.00 H new ATOM 0 HA ASN A 34 1.625 16.037 2.915 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.554 14.520 4.749 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.482 13.191 3.609 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.990 14.628 3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.872 14.080 4.967 1.00 0.00 H new ATOM 523 N PRO A 35 1.228 15.403 0.590 1.00 0.00 N ATOM 524 CA PRO A 35 1.419 16.815 0.895 1.00 0.00 C ATOM 525 C PRO A 35 0.221 17.386 1.644 1.00 0.00 C ATOM 526 O PRO A 35 -0.845 16.770 1.690 1.00 0.00 O ATOM 527 CB PRO A 35 1.608 17.471 -0.477 1.00 0.00 C ATOM 528 CG PRO A 35 1.936 16.338 -1.389 1.00 0.00 C ATOM 529 CD PRO A 35 1.181 15.155 -0.841 1.00 0.00 C ATOM 0 HA PRO A 35 2.270 16.993 1.552 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.704 17.990 -0.797 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.409 18.210 -0.457 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.634 16.557 -2.413 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.009 16.146 -1.407 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.158 15.115 -1.215 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.654 14.210 -1.107 1.00 0.00 H new ATOM 537 N LYS A 36 0.406 18.564 2.228 1.00 0.00 N ATOM 538 CA LYS A 36 -0.653 19.211 2.993 1.00 0.00 C ATOM 539 C LYS A 36 -1.876 19.473 2.122 1.00 0.00 C ATOM 540 O LYS A 36 -1.819 20.252 1.171 1.00 0.00 O ATOM 541 CB LYS A 36 -0.152 20.519 3.605 1.00 0.00 C ATOM 542 CG LYS A 36 0.664 20.345 4.879 1.00 0.00 C ATOM 543 CD LYS A 36 1.877 19.456 4.644 1.00 0.00 C ATOM 544 CE LYS A 36 2.588 19.133 5.948 1.00 0.00 C ATOM 545 NZ LYS A 36 1.713 18.383 6.890 1.00 0.00 N1+ ATOM 0 H LYS A 36 1.279 19.090 2.186 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.944 18.536 3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.456 21.042 2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.009 21.157 3.821 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.990 21.320 5.240 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.037 19.910 5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.564 18.531 4.160 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.569 19.954 3.964 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.482 18.545 5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.919 20.058 6.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.295 17.951 7.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.027 19.035 7.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.204 17.638 6.373 1.00 0.00 H new ATOM 559 N PRO A 37 -2.983 18.818 2.456 1.00 0.00 N ATOM 560 CA PRO A 37 -4.211 18.946 1.677 1.00 0.00 C ATOM 561 C PRO A 37 -4.657 20.397 1.585 1.00 0.00 C ATOM 562 O PRO A 37 -4.479 21.174 2.523 1.00 0.00 O ATOM 563 CB PRO A 37 -5.223 18.077 2.432 1.00 0.00 C ATOM 564 CG PRO A 37 -4.388 17.078 3.158 1.00 0.00 C ATOM 565 CD PRO A 37 -3.131 17.811 3.544 1.00 0.00 C ATOM 0 HA PRO A 37 -4.091 18.625 0.642 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.820 18.672 3.123 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.918 17.591 1.747 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.907 16.698 4.038 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.163 16.220 2.525 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.224 18.284 4.522 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.272 17.141 3.594 1.00 0.00 H new ATOM 573 N LYS A 38 -5.238 20.763 0.444 1.00 0.00 N ATOM 574 CA LYS A 38 -5.782 22.100 0.260 1.00 0.00 C ATOM 575 C LYS A 38 -7.162 22.233 0.888 1.00 0.00 C ATOM 576 O LYS A 38 -8.167 22.344 0.188 1.00 0.00 O ATOM 577 CB LYS A 38 -5.847 22.449 -1.228 1.00 0.00 C ATOM 578 CG LYS A 38 -4.489 22.557 -1.909 1.00 0.00 C ATOM 579 CD LYS A 38 -4.632 22.976 -3.365 1.00 0.00 C ATOM 580 CE LYS A 38 -3.276 23.086 -4.045 1.00 0.00 C ATOM 581 NZ LYS A 38 -3.402 23.466 -5.478 1.00 0.00 N1+ ATOM 0 H LYS A 38 -5.342 20.150 -0.365 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.115 22.800 0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.438 21.690 -1.741 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.374 23.396 -1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.871 23.281 -1.379 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.975 21.598 -1.853 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.249 22.251 -3.895 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.148 23.935 -3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.668 23.827 -3.525 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.753 22.133 -3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.456 23.530 -5.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.960 22.746 -5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.878 24.387 -5.552 1.00 0.00 H new ATOM 595 N ILE A 39 -7.204 22.213 2.216 1.00 0.00 N ATOM 596 CA ILE A 39 -8.467 22.177 2.942 1.00 0.00 C ATOM 597 C ILE A 39 -9.485 23.127 2.324 1.00 0.00 C ATOM 598 O ILE A 39 -9.243 24.327 2.215 1.00 0.00 O ATOM 599 CB ILE A 39 -8.275 22.541 4.426 1.00 0.00 C ATOM 600 CG1 ILE A 39 -7.493 21.441 5.149 1.00 0.00 C ATOM 601 CG2 ILE A 39 -9.621 22.770 5.096 1.00 0.00 C ATOM 602 CD1 ILE A 39 -7.096 21.801 6.562 1.00 0.00 C ATOM 0 H ILE A 39 -6.376 22.221 2.812 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.840 21.155 2.873 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.701 23.466 4.485 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.097 20.534 5.171 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.594 21.211 4.577 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.467 23.026 6.144 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.142 23.586 4.596 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.220 21.862 5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.546 20.972 7.008 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.465 22.689 6.547 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.991 22.001 7.151 1.00 0.00 H new ATOM 614 N TYR A 40 -10.629 22.581 1.922 1.00 0.00 N ATOM 615 CA TYR A 40 -11.731 23.392 1.419 1.00 0.00 C ATOM 616 C TYR A 40 -12.894 23.410 2.404 1.00 0.00 C ATOM 617 O TYR A 40 -13.111 22.448 3.142 1.00 0.00 O ATOM 618 CB TYR A 40 -12.201 22.872 0.059 1.00 0.00 C ATOM 619 CG TYR A 40 -11.127 22.879 -1.005 1.00 0.00 C ATOM 620 CD1 TYR A 40 -10.669 24.072 -1.546 1.00 0.00 C ATOM 621 CD2 TYR A 40 -10.572 21.694 -1.467 1.00 0.00 C ATOM 622 CE1 TYR A 40 -9.689 24.086 -2.519 1.00 0.00 C ATOM 623 CE2 TYR A 40 -9.591 21.696 -2.439 1.00 0.00 C ATOM 624 CZ TYR A 40 -9.151 22.895 -2.963 1.00 0.00 C ATOM 625 OH TYR A 40 -8.174 22.902 -3.932 1.00 0.00 O ATOM 0 H TYR A 40 -10.816 21.578 1.935 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.368 24.413 1.301 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -12.573 21.854 0.179 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.039 23.480 -0.281 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -11.086 25.006 -1.200 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -10.913 20.754 -1.059 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.345 25.024 -2.930 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.170 20.764 -2.787 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.903 21.981 -4.130 1.00 0.00 H new ATOM 635 N TRP A 41 -13.640 24.509 2.407 1.00 0.00 N ATOM 636 CA TRP A 41 -14.868 24.596 3.193 1.00 0.00 C ATOM 637 C TRP A 41 -16.085 24.757 2.293 1.00 0.00 C ATOM 638 O TRP A 41 -16.037 25.455 1.281 1.00 0.00 O ATOM 639 CB TRP A 41 -14.791 25.763 4.180 1.00 0.00 C ATOM 640 CG TRP A 41 -13.768 25.566 5.259 1.00 0.00 C ATOM 641 CD1 TRP A 41 -12.450 25.908 5.205 1.00 0.00 C ATOM 642 CD2 TRP A 41 -13.979 24.983 6.550 1.00 0.00 C ATOM 643 NE1 TRP A 41 -11.825 25.575 6.381 1.00 0.00 N ATOM 644 CE2 TRP A 41 -12.746 25.005 7.226 1.00 0.00 C ATOM 645 CE3 TRP A 41 -15.096 24.445 7.202 1.00 0.00 C ATOM 646 CZ2 TRP A 41 -12.594 24.512 8.512 1.00 0.00 C ATOM 647 CZ3 TRP A 41 -14.943 23.951 8.492 1.00 0.00 C ATOM 648 CH2 TRP A 41 -13.728 23.984 9.128 1.00 0.00 C ATOM 0 H TRP A 41 -13.418 25.351 1.876 1.00 0.00 H new ATOM 0 HA TRP A 41 -14.973 23.665 3.750 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -14.559 26.677 3.633 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -15.769 25.906 4.639 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.967 26.374 4.359 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.839 25.726 6.593 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -16.058 24.415 6.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -11.639 24.536 9.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.797 23.533 9.004 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -13.648 23.591 10.131 1.00 0.00 H new ATOM 659 N PHE A 42 -17.181 24.104 2.669 1.00 0.00 N ATOM 660 CA PHE A 42 -18.465 24.318 2.015 1.00 0.00 C ATOM 661 C PHE A 42 -19.622 24.082 2.976 1.00 0.00 C ATOM 662 O PHE A 42 -19.545 23.227 3.857 1.00 0.00 O ATOM 663 CB PHE A 42 -18.601 23.405 0.794 1.00 0.00 C ATOM 664 CG PHE A 42 -18.438 21.945 1.109 1.00 0.00 C ATOM 665 CD1 PHE A 42 -17.178 21.371 1.174 1.00 0.00 C ATOM 666 CD2 PHE A 42 -19.546 21.144 1.343 1.00 0.00 C ATOM 667 CE1 PHE A 42 -17.027 20.028 1.463 1.00 0.00 C ATOM 668 CE2 PHE A 42 -19.398 19.800 1.633 1.00 0.00 C ATOM 669 CZ PHE A 42 -18.138 19.242 1.692 1.00 0.00 C ATOM 0 H PHE A 42 -17.204 23.421 3.426 1.00 0.00 H new ATOM 0 HA PHE A 42 -18.503 25.357 1.688 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -19.580 23.563 0.341 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.856 23.693 0.052 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.304 21.980 0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -20.535 21.575 1.298 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -16.039 19.594 1.510 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -20.269 19.187 1.813 1.00 0.00 H new ATOM 0 HZ PHE A 42 -18.021 18.192 1.917 1.00 0.00 H new ATOM 679 N LYS A 43 -20.694 24.848 2.800 1.00 0.00 N ATOM 680 CA LYS A 43 -21.806 24.837 3.746 1.00 0.00 C ATOM 681 C LYS A 43 -23.040 24.187 3.137 1.00 0.00 C ATOM 682 O LYS A 43 -23.666 24.744 2.236 1.00 0.00 O ATOM 683 CB LYS A 43 -22.134 26.258 4.206 1.00 0.00 C ATOM 684 CG LYS A 43 -23.059 26.331 5.415 1.00 0.00 C ATOM 685 CD LYS A 43 -24.514 26.460 4.990 1.00 0.00 C ATOM 686 CE LYS A 43 -25.404 26.832 6.167 1.00 0.00 C ATOM 687 NZ LYS A 43 -26.840 26.562 5.886 1.00 0.00 N1+ ATOM 0 H LYS A 43 -20.817 25.484 2.012 1.00 0.00 H new ATOM 0 HA LYS A 43 -21.501 24.247 4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -21.204 26.774 4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.595 26.797 3.378 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.934 25.437 6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.782 27.183 6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.602 27.218 4.212 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.854 25.519 4.558 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -25.095 26.269 7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -25.273 27.888 6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.391 26.667 6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -27.188 27.237 5.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.947 25.593 5.524 1.00 0.00 H new ATOM 701 N ASP A 44 -23.384 23.003 3.633 1.00 0.00 N ATOM 702 CA ASP A 44 -24.503 22.241 3.086 1.00 0.00 C ATOM 703 C ASP A 44 -24.350 22.046 1.582 1.00 0.00 C ATOM 704 O ASP A 44 -25.338 22.010 0.850 1.00 0.00 O ATOM 705 CB ASP A 44 -25.830 22.937 3.396 1.00 0.00 C ATOM 706 CG ASP A 44 -26.211 22.940 4.869 1.00 0.00 C ATOM 707 OD1 ASP A 44 -25.566 22.260 5.631 1.00 0.00 O ATOM 708 OD2 ASP A 44 -27.037 23.738 5.248 1.00 0.00 O1- ATOM 0 H ASP A 44 -22.905 22.550 4.412 1.00 0.00 H new ATOM 0 HA ASP A 44 -24.502 21.259 3.560 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -25.776 23.968 3.045 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -26.623 22.449 2.829 1.00 0.00 H new ATOM 713 N GLY A 45 -23.111 21.921 1.128 1.00 0.00 N ATOM 714 CA GLY A 45 -22.829 21.661 -0.278 1.00 0.00 C ATOM 715 C GLY A 45 -22.513 22.953 -1.024 1.00 0.00 C ATOM 716 O GLY A 45 -22.232 22.936 -2.222 1.00 0.00 O ATOM 0 H GLY A 45 -22.281 21.996 1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -21.987 20.974 -0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -23.687 21.172 -0.739 1.00 0.00 H new ATOM 720 N LYS A 46 -22.560 24.070 -0.305 1.00 0.00 N ATOM 721 CA LYS A 46 -22.313 25.377 -0.906 1.00 0.00 C ATOM 722 C LYS A 46 -20.859 25.798 -0.733 1.00 0.00 C ATOM 723 O LYS A 46 -20.462 26.273 0.331 1.00 0.00 O ATOM 724 CB LYS A 46 -23.242 26.429 -0.297 1.00 0.00 C ATOM 725 CG LYS A 46 -24.725 26.163 -0.518 1.00 0.00 C ATOM 726 CD LYS A 46 -25.584 27.198 0.192 1.00 0.00 C ATOM 727 CE LYS A 46 -27.065 26.959 -0.064 1.00 0.00 C ATOM 728 NZ LYS A 46 -27.911 28.036 0.517 1.00 0.00 N1+ ATOM 0 H LYS A 46 -22.767 24.097 0.693 1.00 0.00 H new ATOM 0 HA LYS A 46 -22.519 25.298 -1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -23.052 26.487 0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -22.993 27.403 -0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -24.944 26.176 -1.586 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -24.976 25.167 -0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.388 27.163 1.264 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -25.310 28.196 -0.149 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.242 26.898 -1.138 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.356 25.999 0.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -28.912 27.835 0.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.762 28.078 1.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -27.651 28.949 0.092 1.00 0.00 H new ATOM 742 N GLN A 47 -20.067 25.619 -1.783 1.00 0.00 N ATOM 743 CA GLN A 47 -18.648 25.949 -1.740 1.00 0.00 C ATOM 744 C GLN A 47 -18.426 27.364 -1.224 1.00 0.00 C ATOM 745 O GLN A 47 -19.017 28.318 -1.730 1.00 0.00 O ATOM 746 CB GLN A 47 -18.019 25.801 -3.128 1.00 0.00 C ATOM 747 CG GLN A 47 -16.517 26.020 -3.158 1.00 0.00 C ATOM 748 CD GLN A 47 -15.932 25.830 -4.545 1.00 0.00 C ATOM 749 OE1 GLN A 47 -16.661 25.628 -5.519 1.00 0.00 O ATOM 750 NE2 GLN A 47 -14.608 25.891 -4.641 1.00 0.00 N ATOM 0 H GLN A 47 -20.385 25.246 -2.678 1.00 0.00 H new ATOM 0 HA GLN A 47 -18.168 25.252 -1.053 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -18.237 24.803 -3.509 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.492 26.511 -3.806 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.292 27.027 -2.807 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -16.038 25.327 -2.466 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -14.044 26.060 -3.808 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -14.156 25.769 -5.547 1.00 0.00 H new ATOM 759 N ILE A 48 -17.576 27.492 -0.210 1.00 0.00 N ATOM 760 CA ILE A 48 -17.291 28.789 0.394 1.00 0.00 C ATOM 761 C ILE A 48 -16.020 29.396 -0.177 1.00 0.00 C ATOM 762 O ILE A 48 -14.956 28.775 -0.148 1.00 0.00 O ATOM 763 CB ILE A 48 -17.154 28.683 1.923 1.00 0.00 C ATOM 764 CG1 ILE A 48 -18.467 28.201 2.545 1.00 0.00 C ATOM 765 CG2 ILE A 48 -16.740 30.021 2.515 1.00 0.00 C ATOM 766 CD1 ILE A 48 -18.353 27.836 4.007 1.00 0.00 C ATOM 0 H ILE A 48 -17.072 26.712 0.211 1.00 0.00 H new ATOM 0 HA ILE A 48 -18.136 29.436 0.158 1.00 0.00 H new ATOM 0 HB ILE A 48 -16.377 27.953 2.151 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -19.219 28.982 2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -18.824 27.333 1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.648 29.927 3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -15.781 30.324 2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -17.494 30.772 2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -19.324 27.504 4.376 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -17.626 27.033 4.126 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -18.027 28.707 4.575 1.00 0.00 H new ATOM 778 N SER A 49 -16.128 30.616 -0.693 1.00 0.00 N ATOM 779 CA SER A 49 -14.964 31.359 -1.161 1.00 0.00 C ATOM 780 C SER A 49 -14.280 32.092 -0.014 1.00 0.00 C ATOM 781 O SER A 49 -14.930 32.794 0.761 1.00 0.00 O ATOM 782 CB SER A 49 -15.373 32.337 -2.245 1.00 0.00 C ATOM 783 OG SER A 49 -14.307 33.156 -2.643 1.00 0.00 O ATOM 0 H SER A 49 -17.013 31.112 -0.798 1.00 0.00 H new ATOM 0 HA SER A 49 -14.250 30.647 -1.575 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.749 31.786 -3.107 1.00 0.00 H new ATOM 0 HB3 SER A 49 -16.192 32.958 -1.882 1.00 0.00 H new ATOM 0 HG SER A 49 -14.610 33.771 -3.343 1.00 0.00 H new ATOM 789 N PRO A 50 -12.966 31.923 0.088 1.00 0.00 N ATOM 790 CA PRO A 50 -12.187 32.602 1.114 1.00 0.00 C ATOM 791 C PRO A 50 -12.402 34.109 1.062 1.00 0.00 C ATOM 792 O PRO A 50 -12.473 34.700 -0.014 1.00 0.00 O ATOM 793 CB PRO A 50 -10.737 32.215 0.801 1.00 0.00 C ATOM 794 CG PRO A 50 -10.850 30.919 0.073 1.00 0.00 C ATOM 795 CD PRO A 50 -12.108 31.028 -0.746 1.00 0.00 C ATOM 0 HA PRO A 50 -12.476 32.312 2.124 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.246 32.973 0.190 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.148 32.109 1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.981 30.749 -0.563 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.905 30.081 0.768 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.915 31.454 -1.730 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.573 30.055 -0.906 1.00 0.00 H new ATOM 803 N LYS A 51 -12.499 34.727 2.235 1.00 0.00 N ATOM 804 CA LYS A 51 -12.654 36.176 2.326 1.00 0.00 C ATOM 805 C LYS A 51 -13.902 36.643 1.591 1.00 0.00 C ATOM 806 O LYS A 51 -13.833 37.509 0.718 1.00 0.00 O ATOM 807 CB LYS A 51 -11.419 36.883 1.767 1.00 0.00 C ATOM 808 CG LYS A 51 -10.128 36.583 2.516 1.00 0.00 C ATOM 809 CD LYS A 51 -8.950 37.332 1.913 1.00 0.00 C ATOM 810 CE LYS A 51 -7.659 37.033 2.661 1.00 0.00 C ATOM 811 NZ LYS A 51 -6.484 37.689 2.028 1.00 0.00 N1+ ATOM 0 H LYS A 51 -12.473 34.248 3.135 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.763 36.434 3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.293 36.597 0.723 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.593 37.959 1.784 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.240 36.861 3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.931 35.511 2.490 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.838 37.053 0.865 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.147 38.404 1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.751 37.372 3.693 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.499 35.955 2.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.626 37.460 2.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.380 37.347 1.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.624 38.720 2.021 1.00 0.00 H new ATOM 825 N SER A 52 -15.045 36.064 1.948 1.00 0.00 N ATOM 826 CA SER A 52 -16.316 36.439 1.339 1.00 0.00 C ATOM 827 C SER A 52 -17.040 37.484 2.176 1.00 0.00 C ATOM 828 O SER A 52 -16.435 38.149 3.020 1.00 0.00 O ATOM 829 CB SER A 52 -17.189 35.214 1.153 1.00 0.00 C ATOM 830 OG SER A 52 -18.319 35.487 0.371 1.00 0.00 O ATOM 0 H SER A 52 -15.116 35.333 2.656 1.00 0.00 H new ATOM 0 HA SER A 52 -16.108 36.877 0.363 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.606 34.422 0.683 1.00 0.00 H new ATOM 0 HB3 SER A 52 -17.504 34.842 2.128 1.00 0.00 H new ATOM 0 HG SER A 52 -18.854 34.672 0.274 1.00 0.00 H new ATOM 836 N ASP A 53 -18.339 37.631 1.936 1.00 0.00 N ATOM 837 CA ASP A 53 -19.138 38.633 2.627 1.00 0.00 C ATOM 838 C ASP A 53 -19.035 38.474 4.139 1.00 0.00 C ATOM 839 O ASP A 53 -18.865 39.449 4.867 1.00 0.00 O ATOM 840 CB ASP A 53 -20.601 38.547 2.187 1.00 0.00 C ATOM 841 CG ASP A 53 -20.864 39.060 0.777 1.00 0.00 C ATOM 842 OD1 ASP A 53 -19.994 39.684 0.220 1.00 0.00 O ATOM 843 OD2 ASP A 53 -21.866 38.691 0.210 1.00 0.00 O1- ATOM 0 H ASP A 53 -18.861 37.066 1.266 1.00 0.00 H new ATOM 0 HA ASP A 53 -18.745 39.614 2.361 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -20.926 37.509 2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -21.213 39.115 2.888 1.00 0.00 H new ATOM 848 N HIS A 54 -19.147 37.234 4.605 1.00 0.00 N ATOM 849 CA HIS A 54 -19.075 36.942 6.031 1.00 0.00 C ATOM 850 C HIS A 54 -18.207 35.721 6.299 1.00 0.00 C ATOM 851 O HIS A 54 -17.950 35.373 7.455 1.00 0.00 O ATOM 852 CB HIS A 54 -20.476 36.725 6.612 1.00 0.00 C ATOM 853 CG HIS A 54 -21.360 37.930 6.517 1.00 0.00 C ATOM 854 ND1 HIS A 54 -21.209 39.029 7.337 1.00 0.00 N ATOM 855 CD2 HIS A 54 -22.403 38.208 5.702 1.00 0.00 C ATOM 856 CE1 HIS A 54 -22.123 39.933 7.028 1.00 0.00 C ATOM 857 NE2 HIS A 54 -22.859 39.459 6.040 1.00 0.00 N ATOM 0 H HIS A 54 -19.288 36.415 4.014 1.00 0.00 H new ATOM 0 HA HIS A 54 -18.620 37.803 6.521 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -20.951 35.894 6.090 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -20.385 36.434 7.658 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.802 37.567 4.930 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.246 40.895 7.503 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -23.640 39.944 5.599 1.00 0.00 H new ATOM 865 N TYR A 55 -17.755 35.073 5.232 1.00 0.00 N ATOM 866 CA TYR A 55 -17.040 33.809 5.349 1.00 0.00 C ATOM 867 C TYR A 55 -15.561 33.985 5.032 1.00 0.00 C ATOM 868 O TYR A 55 -15.154 33.965 3.867 1.00 0.00 O ATOM 869 CB TYR A 55 -17.653 32.756 4.421 1.00 0.00 C ATOM 870 CG TYR A 55 -19.056 32.343 4.807 1.00 0.00 C ATOM 871 CD1 TYR A 55 -19.530 32.546 6.095 1.00 0.00 C ATOM 872 CD2 TYR A 55 -19.906 31.754 3.880 1.00 0.00 C ATOM 873 CE1 TYR A 55 -20.813 32.171 6.452 1.00 0.00 C ATOM 874 CE2 TYR A 55 -21.187 31.374 4.226 1.00 0.00 C ATOM 875 CZ TYR A 55 -21.637 31.587 5.512 1.00 0.00 C ATOM 876 OH TYR A 55 -22.914 31.213 5.863 1.00 0.00 O ATOM 0 H TYR A 55 -17.872 35.403 4.274 1.00 0.00 H new ATOM 0 HA TYR A 55 -17.133 33.468 6.380 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -17.666 33.146 3.403 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -17.013 31.874 4.416 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -18.887 33.004 6.831 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -19.559 31.590 2.871 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -21.167 32.334 7.459 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -21.833 30.913 3.494 1.00 0.00 H new ATOM 0 HH TYR A 55 -22.883 30.670 6.678 1.00 0.00 H new ATOM 886 N THR A 56 -14.753 34.155 6.075 1.00 0.00 N ATOM 887 CA THR A 56 -13.315 34.333 5.911 1.00 0.00 C ATOM 888 C THR A 56 -12.571 33.024 6.137 1.00 0.00 C ATOM 889 O THR A 56 -12.713 32.390 7.183 1.00 0.00 O ATOM 890 CB THR A 56 -12.763 35.398 6.875 1.00 0.00 C ATOM 891 OG1 THR A 56 -13.388 36.660 6.607 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.257 35.537 6.712 1.00 0.00 C ATOM 0 H THR A 56 -15.071 34.173 7.044 1.00 0.00 H new ATOM 0 HA THR A 56 -13.155 34.668 4.886 1.00 0.00 H new ATOM 0 HB THR A 56 -12.980 35.087 7.897 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.037 37.336 7.223 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.885 36.295 7.402 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.778 34.582 6.929 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.028 35.834 5.689 1.00 0.00 H new ATOM 900 N ILE A 57 -11.774 32.623 5.152 1.00 0.00 N ATOM 901 CA ILE A 57 -10.989 31.396 5.251 1.00 0.00 C ATOM 902 C ILE A 57 -9.496 31.696 5.250 1.00 0.00 C ATOM 903 O ILE A 57 -8.994 32.403 4.375 1.00 0.00 O ATOM 904 CB ILE A 57 -11.308 30.425 4.099 1.00 0.00 C ATOM 905 CG1 ILE A 57 -12.779 30.006 4.145 1.00 0.00 C ATOM 906 CG2 ILE A 57 -10.401 29.205 4.166 1.00 0.00 C ATOM 907 CD1 ILE A 57 -13.224 29.204 2.944 1.00 0.00 C ATOM 0 H ILE A 57 -11.654 33.130 4.275 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.262 30.925 6.196 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.126 30.937 3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.951 29.418 5.047 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.399 30.899 4.223 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.639 28.529 3.345 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.361 29.520 4.086 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.552 28.691 5.115 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.277 28.944 3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.085 29.796 2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.631 28.292 2.875 1.00 0.00 H new ATOM 919 N GLN A 58 -8.790 31.158 6.239 1.00 0.00 N ATOM 920 CA GLN A 58 -7.341 31.313 6.320 1.00 0.00 C ATOM 921 C GLN A 58 -6.643 29.961 6.344 1.00 0.00 C ATOM 922 O GLN A 58 -6.731 29.222 7.327 1.00 0.00 O ATOM 923 CB GLN A 58 -6.955 32.115 7.566 1.00 0.00 C ATOM 924 CG GLN A 58 -5.457 32.253 7.778 1.00 0.00 C ATOM 925 CD GLN A 58 -4.798 33.103 6.709 1.00 0.00 C ATOM 926 OE1 GLN A 58 -5.203 34.243 6.464 1.00 0.00 O ATOM 927 NE2 GLN A 58 -3.779 32.550 6.060 1.00 0.00 N ATOM 0 H GLN A 58 -9.198 30.610 6.997 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.017 31.854 5.431 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.394 33.110 7.494 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -7.392 31.636 8.442 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.270 32.696 8.756 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.001 31.263 7.784 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.477 31.604 6.295 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.298 33.071 5.327 1.00 0.00 H new ATOM 936 N ARG A 59 -5.949 29.636 5.257 1.00 0.00 N ATOM 937 CA ARG A 59 -5.332 28.327 5.101 1.00 0.00 C ATOM 938 C ARG A 59 -3.841 28.381 5.405 1.00 0.00 C ATOM 939 O ARG A 59 -3.040 28.796 4.564 1.00 0.00 O ATOM 940 CB ARG A 59 -5.600 27.729 3.728 1.00 0.00 C ATOM 941 CG ARG A 59 -5.166 26.281 3.566 1.00 0.00 C ATOM 942 CD ARG A 59 -5.379 25.726 2.204 1.00 0.00 C ATOM 943 NE ARG A 59 -6.764 25.733 1.761 1.00 0.00 N ATOM 944 CZ ARG A 59 -7.268 26.579 0.842 1.00 0.00 C ATOM 945 NH1 ARG A 59 -6.520 27.510 0.295 1.00 0.00 N1+ ATOM 946 NH2 ARG A 59 -8.546 26.463 0.523 1.00 0.00 N ATOM 0 H ARG A 59 -5.801 30.266 4.469 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.796 27.663 5.831 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.668 27.799 3.519 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.088 28.333 2.978 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.108 26.201 3.817 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.711 25.668 4.284 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.781 26.298 1.495 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.008 24.701 2.181 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.398 25.050 2.175 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.540 27.601 0.565 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.919 28.142 -0.399 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.120 25.748 0.969 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.958 27.089 -0.169 1.00 0.00 H new ATOM 960 N ASP A 60 -3.472 27.961 6.608 1.00 0.00 N ATOM 961 CA ASP A 60 -2.068 27.759 6.951 1.00 0.00 C ATOM 962 C ASP A 60 -1.493 26.540 6.237 1.00 0.00 C ATOM 963 O ASP A 60 -2.014 25.435 6.359 1.00 0.00 O ATOM 964 CB ASP A 60 -1.904 27.605 8.465 1.00 0.00 C ATOM 965 CG ASP A 60 -0.459 27.478 8.932 1.00 0.00 C ATOM 966 OD1 ASP A 60 0.405 27.357 8.097 1.00 0.00 O ATOM 967 OD2 ASP A 60 -0.216 27.659 10.101 1.00 0.00 O1- ATOM 0 H ASP A 60 -4.125 27.753 7.364 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.516 28.639 6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.358 28.466 8.957 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.457 26.724 8.790 1.00 0.00 H new ATOM 972 N LEU A 61 -0.418 26.756 5.488 1.00 0.00 N ATOM 973 CA LEU A 61 0.109 25.734 4.588 1.00 0.00 C ATOM 974 C LEU A 61 0.828 24.640 5.360 1.00 0.00 C ATOM 975 O LEU A 61 1.325 23.677 4.774 1.00 0.00 O ATOM 976 CB LEU A 61 1.053 26.367 3.558 1.00 0.00 C ATOM 977 CG LEU A 61 0.400 27.382 2.611 1.00 0.00 C ATOM 978 CD1 LEU A 61 1.450 27.991 1.693 1.00 0.00 C ATOM 979 CD2 LEU A 61 -0.690 26.694 1.801 1.00 0.00 C ATOM 0 H LEU A 61 0.107 27.630 5.485 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.732 25.280 4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.866 26.861 4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.499 25.572 2.961 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.050 28.185 3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.976 28.710 1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.208 28.497 2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.919 27.203 1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.154 27.416 1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.253 25.883 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.445 26.290 2.476 1.00 0.00 H new ATOM 991 N ASP A 62 0.885 24.789 6.680 1.00 0.00 N ATOM 992 CA ASP A 62 1.431 23.752 7.549 1.00 0.00 C ATOM 993 C ASP A 62 0.457 22.588 7.688 1.00 0.00 C ATOM 994 O ASP A 62 0.826 21.514 8.165 1.00 0.00 O ATOM 995 CB ASP A 62 1.765 24.327 8.925 1.00 0.00 C ATOM 996 CG ASP A 62 3.007 25.207 8.954 1.00 0.00 C ATOM 997 OD1 ASP A 62 3.756 25.175 8.007 1.00 0.00 O ATOM 998 OD2 ASP A 62 3.118 26.018 9.843 1.00 0.00 O1- ATOM 0 H ASP A 62 0.559 25.621 7.172 1.00 0.00 H new ATOM 0 HA ASP A 62 2.348 23.379 7.092 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.914 24.909 9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.901 23.504 9.626 1.00 0.00 H new ATOM 1003 N GLY A 63 -0.786 22.810 7.276 1.00 0.00 N ATOM 1004 CA GLY A 63 -1.798 21.757 7.302 1.00 0.00 C ATOM 1005 C GLY A 63 -2.986 22.160 8.164 1.00 0.00 C ATOM 1006 O GLY A 63 -3.736 21.311 8.640 1.00 0.00 O ATOM 0 H GLY A 63 -1.118 23.707 6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.136 21.548 6.287 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.360 20.837 7.688 1.00 0.00 H new ATOM 1010 N THR A 64 -3.153 23.464 8.364 1.00 0.00 N ATOM 1011 CA THR A 64 -4.236 23.983 9.194 1.00 0.00 C ATOM 1012 C THR A 64 -5.017 25.069 8.467 1.00 0.00 C ATOM 1013 O THR A 64 -4.438 25.902 7.772 1.00 0.00 O ATOM 1014 CB THR A 64 -3.705 24.552 10.524 1.00 0.00 C ATOM 1015 OG1 THR A 64 -2.961 23.541 11.217 1.00 0.00 O ATOM 1016 CG2 THR A 64 -4.857 25.019 11.401 1.00 0.00 C ATOM 0 H THR A 64 -2.551 24.182 7.962 1.00 0.00 H new ATOM 0 HA THR A 64 -4.898 23.143 9.405 1.00 0.00 H new ATOM 0 HB THR A 64 -3.059 25.402 10.306 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.623 23.905 12.062 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.464 25.418 12.336 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.417 25.797 10.882 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.516 24.178 11.614 1.00 0.00 H new ATOM 1024 N CYS A 65 -6.335 25.050 8.630 1.00 0.00 N ATOM 1025 CA CYS A 65 -7.196 26.053 8.012 1.00 0.00 C ATOM 1026 C CYS A 65 -8.310 26.481 8.959 1.00 0.00 C ATOM 1027 O CYS A 65 -8.993 25.643 9.550 1.00 0.00 O ATOM 1028 CB CYS A 65 -7.771 25.307 6.806 1.00 0.00 C ATOM 1029 SG CYS A 65 -8.781 26.328 5.707 1.00 0.00 S ATOM 0 H CYS A 65 -6.831 24.352 9.184 1.00 0.00 H new ATOM 0 HA CYS A 65 -6.667 26.969 7.749 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.948 24.881 6.232 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -8.375 24.473 7.164 1.00 0.00 H new ATOM 0 HG CYS A 65 -9.217 25.603 4.720 1.00 0.00 H new ATOM 1035 N SER A 66 -8.488 27.790 9.099 1.00 0.00 N ATOM 1036 CA SER A 66 -9.491 28.333 10.008 1.00 0.00 C ATOM 1037 C SER A 66 -10.656 28.943 9.239 1.00 0.00 C ATOM 1038 O SER A 66 -10.465 29.580 8.203 1.00 0.00 O ATOM 1039 CB SER A 66 -8.862 29.366 10.923 1.00 0.00 C ATOM 1040 OG SER A 66 -9.815 30.011 11.721 1.00 0.00 O ATOM 0 H SER A 66 -7.951 28.495 8.594 1.00 0.00 H new ATOM 0 HA SER A 66 -9.881 27.515 10.613 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.123 28.882 11.561 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.331 30.105 10.324 1.00 0.00 H new ATOM 0 HG SER A 66 -10.530 29.381 11.950 1.00 0.00 H new ATOM 1046 N LEU A 67 -11.866 28.747 9.752 1.00 0.00 N ATOM 1047 CA LEU A 67 -13.055 29.365 9.173 1.00 0.00 C ATOM 1048 C LEU A 67 -13.694 30.344 10.147 1.00 0.00 C ATOM 1049 O LEU A 67 -14.042 29.978 11.268 1.00 0.00 O ATOM 1050 CB LEU A 67 -14.067 28.288 8.762 1.00 0.00 C ATOM 1051 CG LEU A 67 -15.399 28.818 8.216 1.00 0.00 C ATOM 1052 CD1 LEU A 67 -15.168 29.563 6.908 1.00 0.00 C ATOM 1053 CD2 LEU A 67 -16.364 27.659 8.014 1.00 0.00 C ATOM 0 H LEU A 67 -12.050 28.164 10.569 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.749 29.921 8.287 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.609 27.652 8.004 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.272 27.656 9.626 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.834 29.515 8.933 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -16.120 29.935 6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.493 30.401 7.081 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.726 28.886 6.177 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.310 28.037 7.626 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.938 26.950 7.304 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -16.536 27.159 8.967 1.00 0.00 H new ATOM 1065 N HIS A 68 -13.841 31.593 9.714 1.00 0.00 N ATOM 1066 CA HIS A 68 -14.455 32.623 10.542 1.00 0.00 C ATOM 1067 C HIS A 68 -15.738 33.150 9.909 1.00 0.00 C ATOM 1068 O HIS A 68 -15.730 33.633 8.774 1.00 0.00 O ATOM 1069 CB HIS A 68 -13.476 33.778 10.782 1.00 0.00 C ATOM 1070 CG HIS A 68 -14.081 34.937 11.514 1.00 0.00 C ATOM 1071 ND1 HIS A 68 -14.479 34.858 12.831 1.00 0.00 N ATOM 1072 CD2 HIS A 68 -14.355 36.199 11.111 1.00 0.00 C ATOM 1073 CE1 HIS A 68 -14.971 36.025 13.209 1.00 0.00 C ATOM 1074 NE2 HIS A 68 -14.908 36.854 12.185 1.00 0.00 N ATOM 0 H HIS A 68 -13.543 31.915 8.793 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.708 32.169 11.500 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.622 33.407 11.349 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.095 34.125 9.822 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.173 36.613 10.130 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.359 36.260 14.189 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.220 37.825 12.190 1.00 0.00 H new ATOM 1082 N THR A 69 -16.837 33.053 10.647 1.00 0.00 N ATOM 1083 CA THR A 69 -18.091 33.680 10.243 1.00 0.00 C ATOM 1084 C THR A 69 -18.311 34.998 10.974 1.00 0.00 C ATOM 1085 O THR A 69 -18.384 35.031 12.203 1.00 0.00 O ATOM 1086 CB THR A 69 -19.294 32.754 10.502 1.00 0.00 C ATOM 1087 OG1 THR A 69 -19.140 31.543 9.749 1.00 0.00 O ATOM 1088 CG2 THR A 69 -20.591 33.438 10.096 1.00 0.00 C ATOM 0 H THR A 69 -16.886 32.545 11.530 1.00 0.00 H new ATOM 0 HA THR A 69 -18.014 33.872 9.173 1.00 0.00 H new ATOM 0 HB THR A 69 -19.334 32.525 11.567 1.00 0.00 H new ATOM 0 HG1 THR A 69 -19.905 30.954 9.916 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.430 32.769 10.286 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.717 34.352 10.676 1.00 0.00 H new ATOM 0 HG23 THR A 69 -20.556 33.684 9.035 1.00 0.00 H new ATOM 1096 N THR A 70 -18.415 36.082 10.215 1.00 0.00 N ATOM 1097 CA THR A 70 -18.541 37.414 10.794 1.00 0.00 C ATOM 1098 C THR A 70 -19.828 37.549 11.596 1.00 0.00 C ATOM 1099 O THR A 70 -19.820 38.057 12.718 1.00 0.00 O ATOM 1100 CB THR A 70 -18.508 38.507 9.708 1.00 0.00 C ATOM 1101 OG1 THR A 70 -17.242 38.477 9.036 1.00 0.00 O ATOM 1102 CG2 THR A 70 -18.717 39.880 10.327 1.00 0.00 C ATOM 0 H THR A 70 -18.415 36.065 9.195 1.00 0.00 H new ATOM 0 HA THR A 70 -17.688 37.548 11.459 1.00 0.00 H new ATOM 0 HB THR A 70 -19.310 38.315 8.996 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.222 39.171 8.344 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.691 40.639 9.545 1.00 0.00 H new ATOM 0 HG22 THR A 70 -19.684 39.909 10.829 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.926 40.077 11.051 1.00 0.00 H new ATOM 1110 N ALA A 71 -20.931 37.092 11.014 1.00 0.00 N ATOM 1111 CA ALA A 71 -22.241 37.231 11.644 1.00 0.00 C ATOM 1112 C ALA A 71 -23.121 36.024 11.348 1.00 0.00 C ATOM 1113 O ALA A 71 -23.877 36.014 10.374 1.00 0.00 O ATOM 1114 CB ALA A 71 -22.918 38.509 11.175 1.00 0.00 C ATOM 0 H ALA A 71 -20.946 36.623 10.109 1.00 0.00 H new ATOM 0 HA ALA A 71 -22.095 37.286 12.723 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -23.894 38.600 11.652 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -22.301 39.367 11.443 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -23.045 38.477 10.093 1.00 0.00 H new ATOM 1120 N SER A 72 -23.022 35.005 12.196 1.00 0.00 N ATOM 1121 CA SER A 72 -23.762 33.763 11.994 1.00 0.00 C ATOM 1122 C SER A 72 -25.229 33.931 12.378 1.00 0.00 C ATOM 1123 O SER A 72 -25.558 34.063 13.553 1.00 0.00 O ATOM 1124 CB SER A 72 -23.130 32.643 12.797 1.00 0.00 C ATOM 1125 OG SER A 72 -23.821 31.434 12.647 1.00 0.00 O ATOM 0 H SER A 72 -22.436 35.015 13.031 1.00 0.00 H new ATOM 0 HA SER A 72 -23.719 33.507 10.935 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.095 32.510 12.482 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.109 32.920 13.851 1.00 0.00 H new ATOM 0 HG SER A 72 -23.353 30.868 11.999 1.00 0.00 H new ATOM 1131 N THR A 73 -26.100 33.918 11.375 1.00 0.00 N ATOM 1132 CA THR A 73 -27.531 34.064 11.605 1.00 0.00 C ATOM 1133 C THR A 73 -28.269 32.759 11.330 1.00 0.00 C ATOM 1134 O THR A 73 -27.661 31.755 10.965 1.00 0.00 O ATOM 1135 CB THR A 73 -28.135 35.176 10.730 1.00 0.00 C ATOM 1136 OG1 THR A 73 -28.047 34.802 9.348 1.00 0.00 O ATOM 1137 CG2 THR A 73 -27.390 36.486 10.942 1.00 0.00 C ATOM 0 H THR A 73 -25.839 33.808 10.395 1.00 0.00 H new ATOM 0 HA THR A 73 -27.653 34.334 12.654 1.00 0.00 H new ATOM 0 HB THR A 73 -29.179 35.312 11.013 1.00 0.00 H new ATOM 0 HG1 THR A 73 -27.118 34.583 9.127 1.00 0.00 H new ATOM 0 HG21 THR A 73 -27.831 37.261 10.315 1.00 0.00 H new ATOM 0 HG22 THR A 73 -27.463 36.781 11.989 1.00 0.00 H new ATOM 0 HG23 THR A 73 -26.341 36.356 10.674 1.00 0.00 H new ATOM 1145 N LEU A 74 -29.586 32.781 11.511 1.00 0.00 N ATOM 1146 CA LEU A 74 -30.406 31.591 11.313 1.00 0.00 C ATOM 1147 C LEU A 74 -30.331 31.101 9.871 1.00 0.00 C ATOM 1148 O LEU A 74 -30.516 29.917 9.598 1.00 0.00 O ATOM 1149 CB LEU A 74 -31.860 31.879 11.703 1.00 0.00 C ATOM 1150 CG LEU A 74 -32.097 32.134 13.197 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -33.540 32.559 13.432 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -31.770 30.875 13.985 1.00 0.00 C ATOM 0 H LEU A 74 -30.108 33.610 11.795 1.00 0.00 H new ATOM 0 HA LEU A 74 -30.016 30.802 11.956 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -32.204 32.749 11.143 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -32.477 31.036 11.392 1.00 0.00 H new ATOM 0 HG LEU A 74 -31.446 32.939 13.537 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -33.698 32.738 14.496 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -33.745 33.474 12.876 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -34.211 31.770 13.093 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -31.938 31.056 15.047 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -32.411 30.059 13.650 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -30.726 30.606 13.824 1.00 0.00 H new ATOM 1164 N ASP A 75 -30.058 32.025 8.952 1.00 0.00 N ATOM 1165 CA ASP A 75 -29.863 31.672 7.553 1.00 0.00 C ATOM 1166 C ASP A 75 -28.483 31.061 7.328 1.00 0.00 C ATOM 1167 O ASP A 75 -28.243 30.407 6.313 1.00 0.00 O ATOM 1168 CB ASP A 75 -30.050 32.902 6.661 1.00 0.00 C ATOM 1169 CG ASP A 75 -31.490 33.379 6.540 1.00 0.00 C ATOM 1170 OD1 ASP A 75 -32.372 32.645 6.919 1.00 0.00 O ATOM 1171 OD2 ASP A 75 -31.690 34.526 6.220 1.00 0.00 O1- ATOM 0 H ASP A 75 -29.968 33.021 9.153 1.00 0.00 H new ATOM 0 HA ASP A 75 -30.612 30.926 7.286 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -29.442 33.717 7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -29.671 32.674 5.665 1.00 0.00 H new ATOM 1176 N ASP A 76 -27.583 31.279 8.280 1.00 0.00 N ATOM 1177 CA ASP A 76 -26.237 30.719 8.204 1.00 0.00 C ATOM 1178 C ASP A 76 -26.152 29.392 8.946 1.00 0.00 C ATOM 1179 O ASP A 76 -25.199 28.631 8.769 1.00 0.00 O ATOM 1180 CB ASP A 76 -25.216 31.707 8.770 1.00 0.00 C ATOM 1181 CG ASP A 76 -25.117 33.020 8.005 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -24.913 32.975 6.816 1.00 0.00 O ATOM 1183 OD2 ASP A 76 -25.401 34.043 8.582 1.00 0.00 O1- ATOM 0 H ASP A 76 -27.760 31.839 9.114 1.00 0.00 H new ATOM 0 HA ASP A 76 -26.008 30.536 7.154 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -25.475 31.924 9.806 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -24.235 31.231 8.779 1.00 0.00 H new ATOM 1188 N ASP A 77 -27.149 29.120 9.781 1.00 0.00 N ATOM 1189 CA ASP A 77 -27.237 27.839 10.476 1.00 0.00 C ATOM 1190 C ASP A 77 -27.199 26.677 9.492 1.00 0.00 C ATOM 1191 O ASP A 77 -27.960 26.641 8.528 1.00 0.00 O ATOM 1192 CB ASP A 77 -28.514 27.775 11.319 1.00 0.00 C ATOM 1193 CG ASP A 77 -28.649 26.512 12.160 1.00 0.00 C ATOM 1194 OD1 ASP A 77 -27.987 25.547 11.856 1.00 0.00 O ATOM 1195 OD2 ASP A 77 -29.286 26.569 13.183 1.00 0.00 O1- ATOM 0 H ASP A 77 -27.907 29.768 9.993 1.00 0.00 H new ATOM 0 HA ASP A 77 -26.373 27.755 11.136 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -28.543 28.642 11.979 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -29.376 27.850 10.657 1.00 0.00 H new ATOM 1200 N GLY A 78 -26.307 25.724 9.747 1.00 0.00 N ATOM 1201 CA GLY A 78 -26.169 24.554 8.887 1.00 0.00 C ATOM 1202 C GLY A 78 -24.829 23.863 9.106 1.00 0.00 C ATOM 1203 O GLY A 78 -24.148 24.111 10.100 1.00 0.00 O ATOM 0 H GLY A 78 -25.669 25.740 10.543 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -26.979 23.854 9.089 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -26.260 24.854 7.843 1.00 0.00 H new ATOM 1207 N ASN A 79 -24.454 22.998 8.173 1.00 0.00 N ATOM 1208 CA ASN A 79 -23.259 22.181 8.321 1.00 0.00 C ATOM 1209 C ASN A 79 -22.128 22.697 7.440 1.00 0.00 C ATOM 1210 O ASN A 79 -22.160 22.548 6.219 1.00 0.00 O ATOM 1211 CB ASN A 79 -23.542 20.722 8.012 1.00 0.00 C ATOM 1212 CG ASN A 79 -24.579 20.104 8.909 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -24.415 20.046 10.134 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -25.606 19.570 8.299 1.00 0.00 N ATOM 0 H ASN A 79 -24.963 22.844 7.303 1.00 0.00 H new ATOM 0 HA ASN A 79 -22.946 22.253 9.363 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -23.872 20.637 6.977 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -22.615 20.155 8.099 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -26.319 19.077 8.837 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -25.694 19.647 7.286 1.00 0.00 H new ATOM 1221 N TYR A 80 -21.125 23.302 8.071 1.00 0.00 N ATOM 1222 CA TYR A 80 -19.963 23.811 7.347 1.00 0.00 C ATOM 1223 C TYR A 80 -18.930 22.718 7.124 1.00 0.00 C ATOM 1224 O TYR A 80 -17.857 22.728 7.728 1.00 0.00 O ATOM 1225 CB TYR A 80 -19.334 24.982 8.107 1.00 0.00 C ATOM 1226 CG TYR A 80 -20.202 26.219 8.156 1.00 0.00 C ATOM 1227 CD1 TYR A 80 -21.300 26.287 9.001 1.00 0.00 C ATOM 1228 CD2 TYR A 80 -19.918 27.319 7.358 1.00 0.00 C ATOM 1229 CE1 TYR A 80 -22.095 27.415 9.048 1.00 0.00 C ATOM 1230 CE2 TYR A 80 -20.706 28.452 7.399 1.00 0.00 C ATOM 1231 CZ TYR A 80 -21.795 28.496 8.245 1.00 0.00 C ATOM 1232 OH TYR A 80 -22.582 29.624 8.290 1.00 0.00 O ATOM 0 H TYR A 80 -21.093 23.452 9.079 1.00 0.00 H new ATOM 0 HA TYR A 80 -20.303 24.160 6.372 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -19.114 24.664 9.126 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -18.383 25.236 7.640 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -21.537 25.444 9.633 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -19.067 27.288 6.694 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -22.947 27.451 9.710 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -20.471 29.299 6.772 1.00 0.00 H new ATOM 0 HH TYR A 80 -23.516 29.366 8.439 1.00 0.00 H new ATOM 1242 N THR A 81 -19.257 21.766 6.252 1.00 0.00 N ATOM 1243 CA THR A 81 -18.444 20.571 6.078 1.00 0.00 C ATOM 1244 C THR A 81 -17.066 20.917 5.532 1.00 0.00 C ATOM 1245 O THR A 81 -16.939 21.697 4.587 1.00 0.00 O ATOM 1246 CB THR A 81 -19.122 19.561 5.133 1.00 0.00 C ATOM 1247 OG1 THR A 81 -20.406 19.200 5.656 1.00 0.00 O ATOM 1248 CG2 THR A 81 -18.268 18.311 4.987 1.00 0.00 C ATOM 0 H THR A 81 -20.083 21.802 5.655 1.00 0.00 H new ATOM 0 HA THR A 81 -18.336 20.117 7.063 1.00 0.00 H new ATOM 0 HB THR A 81 -19.239 20.025 4.154 1.00 0.00 H new ATOM 0 HG1 THR A 81 -20.836 18.559 5.053 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.763 17.609 4.316 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.295 18.581 4.577 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.134 17.846 5.964 1.00 0.00 H new ATOM 1256 N ILE A 82 -16.032 20.335 6.133 1.00 0.00 N ATOM 1257 CA ILE A 82 -14.664 20.550 5.681 1.00 0.00 C ATOM 1258 C ILE A 82 -14.142 19.338 4.920 1.00 0.00 C ATOM 1259 O ILE A 82 -14.440 18.197 5.271 1.00 0.00 O ATOM 1260 CB ILE A 82 -13.720 20.853 6.859 1.00 0.00 C ATOM 1261 CG1 ILE A 82 -12.259 20.761 6.409 1.00 0.00 C ATOM 1262 CG2 ILE A 82 -13.985 19.898 8.012 1.00 0.00 C ATOM 1263 CD1 ILE A 82 -11.265 21.157 7.477 1.00 0.00 C ATOM 0 H ILE A 82 -16.117 19.710 6.935 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.683 21.413 5.015 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.911 21.869 7.204 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -12.050 19.739 6.092 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -12.116 21.400 5.538 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -13.309 20.126 8.836 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -15.016 20.009 8.347 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.820 18.873 7.681 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.253 21.066 7.084 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -11.446 22.189 7.778 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.379 20.502 8.341 1.00 0.00 H new ATOM 1275 N MET A 83 -13.360 19.594 3.874 1.00 0.00 N ATOM 1276 CA MET A 83 -12.776 18.525 3.075 1.00 0.00 C ATOM 1277 C MET A 83 -11.294 18.764 2.828 1.00 0.00 C ATOM 1278 O MET A 83 -10.911 19.749 2.195 1.00 0.00 O ATOM 1279 CB MET A 83 -13.518 18.396 1.746 1.00 0.00 C ATOM 1280 CG MET A 83 -12.974 17.316 0.822 1.00 0.00 C ATOM 1281 SD MET A 83 -13.902 17.186 -0.719 1.00 0.00 S ATOM 1282 CE MET A 83 -13.290 18.616 -1.604 1.00 0.00 C ATOM 0 H MET A 83 -13.117 20.534 3.561 1.00 0.00 H new ATOM 0 HA MET A 83 -12.877 17.594 3.633 1.00 0.00 H new ATOM 0 HB2 MET A 83 -14.568 18.187 1.949 1.00 0.00 H new ATOM 0 HB3 MET A 83 -13.478 19.354 1.228 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.929 17.530 0.595 1.00 0.00 H new ATOM 0 HG3 MET A 83 -12.998 16.356 1.338 1.00 0.00 H new ATOM 0 HE1 MET A 83 -13.602 18.559 -2.647 1.00 0.00 H new ATOM 0 HE2 MET A 83 -13.693 19.523 -1.153 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.201 18.638 -1.552 1.00 0.00 H new ATOM 1292 N ALA A 84 -10.459 17.860 3.332 1.00 0.00 N ATOM 1293 CA ALA A 84 -9.019 17.960 3.146 1.00 0.00 C ATOM 1294 C ALA A 84 -8.566 17.173 1.921 1.00 0.00 C ATOM 1295 O ALA A 84 -8.254 15.985 2.015 1.00 0.00 O ATOM 1296 CB ALA A 84 -8.289 17.478 4.390 1.00 0.00 C ATOM 0 H ALA A 84 -10.758 17.049 3.873 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.772 19.009 2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -7.213 17.559 4.235 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.580 18.091 5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.550 16.438 4.585 1.00 0.00 H new ATOM 1302 N ALA A 85 -8.531 17.841 0.773 1.00 0.00 N ATOM 1303 CA ALA A 85 -8.233 17.178 -0.491 1.00 0.00 C ATOM 1304 C ALA A 85 -6.770 17.357 -0.876 1.00 0.00 C ATOM 1305 O ALA A 85 -6.265 18.480 -0.932 1.00 0.00 O ATOM 1306 CB ALA A 85 -9.145 17.701 -1.590 1.00 0.00 C ATOM 0 H ALA A 85 -8.706 18.843 0.692 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.415 16.111 -0.365 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.911 17.197 -2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.184 17.507 -1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.995 18.774 -1.708 1.00 0.00 H new ATOM 1312 N ASN A 86 -6.095 16.245 -1.143 1.00 0.00 N ATOM 1313 CA ASN A 86 -4.738 16.282 -1.680 1.00 0.00 C ATOM 1314 C ASN A 86 -4.523 15.182 -2.708 1.00 0.00 C ATOM 1315 O ASN A 86 -5.428 14.400 -2.995 1.00 0.00 O ATOM 1316 CB ASN A 86 -3.701 16.178 -0.577 1.00 0.00 C ATOM 1317 CG ASN A 86 -3.500 14.779 -0.064 1.00 0.00 C ATOM 1318 OD1 ASN A 86 -4.184 13.839 -0.484 1.00 0.00 O ATOM 1319 ND2 ASN A 86 -2.625 14.651 0.900 1.00 0.00 N ATOM 0 H ASN A 86 -6.465 15.306 -0.997 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.614 17.246 -2.174 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.750 16.559 -0.948 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.000 16.820 0.252 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.482 13.743 1.342 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.086 15.459 1.210 1.00 0.00 H new ATOM 1326 N PRO A 87 -3.316 15.127 -3.264 1.00 0.00 N ATOM 1327 CA PRO A 87 -3.008 14.190 -4.336 1.00 0.00 C ATOM 1328 C PRO A 87 -3.232 12.749 -3.892 1.00 0.00 C ATOM 1329 O PRO A 87 -3.500 11.869 -4.710 1.00 0.00 O ATOM 1330 CB PRO A 87 -1.538 14.467 -4.665 1.00 0.00 C ATOM 1331 CG PRO A 87 -1.332 15.890 -4.269 1.00 0.00 C ATOM 1332 CD PRO A 87 -2.182 16.091 -3.043 1.00 0.00 C ATOM 0 HA PRO A 87 -3.652 14.320 -5.206 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.875 13.801 -4.113 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.332 14.315 -5.725 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.282 16.090 -4.056 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.630 16.568 -5.069 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.633 15.867 -2.129 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.535 17.119 -2.959 1.00 0.00 H new ATOM 1340 N GLN A 88 -3.128 12.516 -2.587 1.00 0.00 N ATOM 1341 CA GLN A 88 -3.118 11.161 -2.049 1.00 0.00 C ATOM 1342 C GLN A 88 -4.520 10.707 -1.672 1.00 0.00 C ATOM 1343 O GLN A 88 -4.728 9.558 -1.284 1.00 0.00 O ATOM 1344 CB GLN A 88 -2.202 11.075 -0.825 1.00 0.00 C ATOM 1345 CG GLN A 88 -0.760 11.466 -1.098 1.00 0.00 C ATOM 1346 CD GLN A 88 -0.119 10.606 -2.171 1.00 0.00 C ATOM 1347 OE1 GLN A 88 -0.226 9.377 -2.145 1.00 0.00 O ATOM 1348 NE2 GLN A 88 0.554 11.246 -3.119 1.00 0.00 N ATOM 0 H GLN A 88 -3.049 13.249 -1.882 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.738 10.500 -2.828 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.600 11.720 -0.042 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.224 10.056 -0.440 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.722 12.512 -1.404 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.183 11.382 -0.177 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.617 12.264 -3.101 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.009 10.720 -3.865 1.00 0.00 H new ATOM 1357 N GLY A 89 -5.484 11.618 -1.787 1.00 0.00 N ATOM 1358 CA GLY A 89 -6.868 11.313 -1.449 1.00 0.00 C ATOM 1359 C GLY A 89 -7.543 12.498 -0.769 1.00 0.00 C ATOM 1360 O GLY A 89 -7.030 13.619 -0.804 1.00 0.00 O ATOM 0 H GLY A 89 -5.330 12.573 -2.112 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.416 11.049 -2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.902 10.445 -0.791 1.00 0.00 H new ATOM 1364 N ARG A 90 -8.689 12.244 -0.149 1.00 0.00 N ATOM 1365 CA ARG A 90 -9.442 13.292 0.530 1.00 0.00 C ATOM 1366 C ARG A 90 -10.228 12.730 1.708 1.00 0.00 C ATOM 1367 O ARG A 90 -10.483 11.525 1.775 1.00 0.00 O ATOM 1368 CB ARG A 90 -10.342 14.064 -0.424 1.00 0.00 C ATOM 1369 CG ARG A 90 -11.436 13.237 -1.080 1.00 0.00 C ATOM 1370 CD ARG A 90 -12.266 13.985 -2.057 1.00 0.00 C ATOM 1371 NE ARG A 90 -13.355 13.215 -2.639 1.00 0.00 N ATOM 1372 CZ ARG A 90 -14.206 13.679 -3.575 1.00 0.00 C ATOM 1373 NH1 ARG A 90 -14.123 14.917 -4.012 1.00 0.00 N1+ ATOM 1374 NH2 ARG A 90 -15.142 12.863 -4.026 1.00 0.00 N ATOM 0 H ARG A 90 -9.118 11.320 -0.102 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.716 14.005 0.922 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.805 14.886 0.122 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.724 14.508 -1.205 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.978 12.387 -1.586 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.085 12.834 -0.303 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.682 14.863 -1.564 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.623 14.345 -2.860 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.483 12.256 -2.316 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.406 15.542 -3.642 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.775 15.252 -4.721 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.206 11.911 -3.666 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.801 13.185 -4.735 1.00 0.00 H new ATOM 1388 N VAL A 91 -10.609 13.604 2.633 1.00 0.00 N ATOM 1389 CA VAL A 91 -11.399 13.201 3.788 1.00 0.00 C ATOM 1390 C VAL A 91 -12.265 14.353 4.290 1.00 0.00 C ATOM 1391 O VAL A 91 -11.824 15.502 4.330 1.00 0.00 O ATOM 1392 CB VAL A 91 -10.504 12.703 4.939 1.00 0.00 C ATOM 1393 CG1 VAL A 91 -9.618 13.829 5.449 1.00 0.00 C ATOM 1394 CG2 VAL A 91 -11.353 12.140 6.068 1.00 0.00 C ATOM 0 H VAL A 91 -10.382 14.598 2.604 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.041 12.383 3.461 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.864 11.906 4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.992 13.460 6.262 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.985 14.189 4.638 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.241 14.646 5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.705 11.793 6.873 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -12.017 12.917 6.447 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.947 11.306 5.695 1.00 0.00 H new ATOM 1404 N SER A 92 -13.497 14.037 4.675 1.00 0.00 N ATOM 1405 CA SER A 92 -14.480 15.060 5.006 1.00 0.00 C ATOM 1406 C SER A 92 -14.929 14.942 6.457 1.00 0.00 C ATOM 1407 O SER A 92 -14.892 13.860 7.045 1.00 0.00 O ATOM 1408 CB SER A 92 -15.671 14.958 4.074 1.00 0.00 C ATOM 1409 OG SER A 92 -15.314 15.179 2.737 1.00 0.00 O ATOM 0 H SER A 92 -13.838 13.080 4.765 1.00 0.00 H new ATOM 0 HA SER A 92 -14.012 16.036 4.879 1.00 0.00 H new ATOM 0 HB2 SER A 92 -16.122 13.970 4.170 1.00 0.00 H new ATOM 0 HB3 SER A 92 -16.427 15.684 4.372 1.00 0.00 H new ATOM 0 HG SER A 92 -16.109 15.103 2.169 1.00 0.00 H new ATOM 1415 N CYS A 93 -15.356 16.062 7.032 1.00 0.00 N ATOM 1416 CA CYS A 93 -15.908 16.068 8.381 1.00 0.00 C ATOM 1417 C CYS A 93 -16.942 17.173 8.549 1.00 0.00 C ATOM 1418 O CYS A 93 -16.734 18.305 8.105 1.00 0.00 O ATOM 1419 CB CYS A 93 -14.680 16.345 9.248 1.00 0.00 C ATOM 1420 SG CYS A 93 -15.019 16.433 11.022 1.00 0.00 S ATOM 0 H CYS A 93 -15.330 16.978 6.584 1.00 0.00 H new ATOM 0 HA CYS A 93 -16.424 15.142 8.635 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -13.942 15.563 9.070 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -14.231 17.286 8.930 1.00 0.00 H new ATOM 0 HG CYS A 93 -13.913 16.669 11.664 1.00 0.00 H new ATOM 1426 N THR A 94 -18.057 16.843 9.191 1.00 0.00 N ATOM 1427 CA THR A 94 -19.175 17.772 9.311 1.00 0.00 C ATOM 1428 C THR A 94 -18.830 18.933 10.233 1.00 0.00 C ATOM 1429 O THR A 94 -18.366 18.725 11.357 1.00 0.00 O ATOM 1430 CB THR A 94 -20.440 17.069 9.837 1.00 0.00 C ATOM 1431 OG1 THR A 94 -20.790 15.990 8.962 1.00 0.00 O ATOM 1432 CG2 THR A 94 -21.600 18.050 9.916 1.00 0.00 C ATOM 0 H THR A 94 -18.211 15.939 9.637 1.00 0.00 H new ATOM 0 HA THR A 94 -19.374 18.155 8.310 1.00 0.00 H new ATOM 0 HB THR A 94 -20.235 16.683 10.835 1.00 0.00 H new ATOM 0 HG1 THR A 94 -21.594 15.543 9.299 1.00 0.00 H new ATOM 0 HG21 THR A 94 -22.486 17.537 10.290 1.00 0.00 H new ATOM 0 HG22 THR A 94 -21.341 18.866 10.591 1.00 0.00 H new ATOM 0 HG23 THR A 94 -21.805 18.452 8.924 1.00 0.00 H new ATOM 1440 N GLY A 95 -19.056 20.152 9.758 1.00 0.00 N ATOM 1441 CA GLY A 95 -18.834 21.344 10.568 1.00 0.00 C ATOM 1442 C GLY A 95 -20.147 21.895 11.107 1.00 0.00 C ATOM 1443 O GLY A 95 -20.477 23.061 10.887 1.00 0.00 O ATOM 0 H GLY A 95 -19.393 20.341 8.814 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -18.169 21.104 11.398 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.335 22.106 9.969 1.00 0.00 H new ATOM 1447 N ARG A 96 -20.892 21.054 11.814 1.00 0.00 N ATOM 1448 CA ARG A 96 -22.202 21.434 12.329 1.00 0.00 C ATOM 1449 C ARG A 96 -22.126 22.730 13.128 1.00 0.00 C ATOM 1450 O ARG A 96 -21.480 22.785 14.173 1.00 0.00 O ATOM 1451 CB ARG A 96 -22.846 20.318 13.136 1.00 0.00 C ATOM 1452 CG ARG A 96 -24.254 20.614 13.626 1.00 0.00 C ATOM 1453 CD ARG A 96 -24.919 19.472 14.306 1.00 0.00 C ATOM 1454 NE ARG A 96 -26.299 19.721 14.691 1.00 0.00 N ATOM 1455 CZ ARG A 96 -27.051 18.880 15.427 1.00 0.00 C ATOM 1456 NH1 ARG A 96 -26.577 17.721 15.829 1.00 0.00 N1+ ATOM 1457 NH2 ARG A 96 -28.290 19.240 15.717 1.00 0.00 N ATOM 0 H ARG A 96 -20.610 20.101 12.044 1.00 0.00 H new ATOM 0 HA ARG A 96 -22.846 21.611 11.468 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -22.872 19.416 12.525 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -22.215 20.102 13.998 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -24.216 21.459 14.314 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -24.864 20.921 12.777 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -24.890 18.605 13.646 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -24.347 19.213 15.197 1.00 0.00 H new ATOM 0 HE ARG A 96 -26.728 20.594 14.382 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -25.626 17.446 15.584 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -27.161 17.097 16.386 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -28.652 20.134 15.385 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -28.883 18.624 16.273 1.00 0.00 H new ATOM 1471 N LEU A 97 -22.789 23.767 12.630 1.00 0.00 N ATOM 1472 CA LEU A 97 -22.939 25.010 13.379 1.00 0.00 C ATOM 1473 C LEU A 97 -24.410 25.387 13.529 1.00 0.00 C ATOM 1474 O LEU A 97 -25.067 25.761 12.555 1.00 0.00 O ATOM 1475 CB LEU A 97 -22.165 26.140 12.689 1.00 0.00 C ATOM 1476 CG LEU A 97 -22.350 27.530 13.311 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -21.848 27.531 14.748 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -21.604 28.563 12.479 1.00 0.00 C ATOM 0 H LEU A 97 -23.231 23.772 11.711 1.00 0.00 H new ATOM 0 HA LEU A 97 -22.528 24.858 14.377 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.104 25.892 12.701 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -22.471 26.183 11.644 1.00 0.00 H new ATOM 0 HG LEU A 97 -23.410 27.785 13.320 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -21.984 28.522 15.180 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -22.410 26.801 15.330 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.790 27.270 14.764 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -21.736 29.550 12.921 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -20.543 28.314 12.456 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -21.998 28.565 11.463 1.00 0.00 H new ATOM 1490 N MET A 98 -24.919 25.283 14.749 1.00 0.00 N ATOM 1491 CA MET A 98 -26.314 25.608 15.030 1.00 0.00 C ATOM 1492 C MET A 98 -26.454 27.018 15.585 1.00 0.00 C ATOM 1493 O MET A 98 -25.617 27.472 16.370 1.00 0.00 O ATOM 1494 CB MET A 98 -26.904 24.596 16.009 1.00 0.00 C ATOM 1495 CG MET A 98 -26.930 23.163 15.495 1.00 0.00 C ATOM 1496 SD MET A 98 -27.974 22.967 14.036 1.00 0.00 S ATOM 1497 CE MET A 98 -29.596 23.248 14.741 1.00 0.00 C ATOM 0 H MET A 98 -24.387 24.975 15.563 1.00 0.00 H new ATOM 0 HA MET A 98 -26.865 25.561 14.091 1.00 0.00 H new ATOM 0 HB2 MET A 98 -26.329 24.627 16.934 1.00 0.00 H new ATOM 0 HB3 MET A 98 -27.922 24.899 16.256 1.00 0.00 H new ATOM 0 HG2 MET A 98 -25.914 22.849 15.255 1.00 0.00 H new ATOM 0 HG3 MET A 98 -27.289 22.504 16.285 1.00 0.00 H new ATOM 0 HE1 MET A 98 -30.359 22.873 14.059 1.00 0.00 H new ATOM 0 HE2 MET A 98 -29.674 22.726 15.695 1.00 0.00 H new ATOM 0 HE3 MET A 98 -29.744 24.316 14.899 1.00 0.00 H new ATOM 1507 N VAL A 99 -27.510 27.708 15.176 1.00 0.00 N ATOM 1508 CA VAL A 99 -27.728 29.090 15.581 1.00 0.00 C ATOM 1509 C VAL A 99 -29.005 29.232 16.399 1.00 0.00 C ATOM 1510 O VAL A 99 -30.085 28.836 15.958 1.00 0.00 O ATOM 1511 CB VAL A 99 -27.804 30.029 14.362 1.00 0.00 C ATOM 1512 CG1 VAL A 99 -28.044 31.463 14.810 1.00 0.00 C ATOM 1513 CG2 VAL A 99 -26.529 29.937 13.538 1.00 0.00 C ATOM 0 H VAL A 99 -28.232 27.331 14.562 1.00 0.00 H new ATOM 0 HA VAL A 99 -26.875 29.375 16.196 1.00 0.00 H new ATOM 0 HB VAL A 99 -28.641 29.716 13.738 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -28.095 32.113 13.937 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -28.983 31.520 15.360 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -27.226 31.785 15.454 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -26.600 30.607 12.681 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -25.677 30.225 14.153 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -26.395 28.913 13.188 1.00 0.00 H new ATOM 1523 N GLN A 100 -28.875 29.799 17.594 1.00 0.00 N ATOM 1524 CA GLN A 100 -30.025 30.036 18.457 1.00 0.00 C ATOM 1525 C GLN A 100 -30.484 31.484 18.375 1.00 0.00 C ATOM 1526 O GLN A 100 -29.684 32.411 18.505 1.00 0.00 O ATOM 1527 CB GLN A 100 -29.689 29.681 19.908 1.00 0.00 C ATOM 1528 CG GLN A 100 -30.852 29.834 20.872 1.00 0.00 C ATOM 1529 CD GLN A 100 -30.502 29.388 22.279 1.00 0.00 C ATOM 1530 OE1 GLN A 100 -29.410 28.870 22.526 1.00 0.00 O ATOM 1531 NE2 GLN A 100 -31.429 29.583 23.210 1.00 0.00 N ATOM 0 H GLN A 100 -27.984 30.103 17.986 1.00 0.00 H new ATOM 0 HA GLN A 100 -30.837 29.396 18.111 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -29.334 28.651 19.945 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -28.868 30.314 20.244 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -31.168 30.877 20.893 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -31.699 29.252 20.510 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -32.319 30.015 22.961 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -31.251 29.301 24.174 1.00 0.00 H new