USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 691 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 Single : A 12 THR OG1 : rot -144:sc= 1.59 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 14 ASN : amide:sc= -0.0176 X(o=-0.018,f=-0.26) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 1.64 K(o=1.6,f=-5.6!) USER MOD Single : A 25 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0733) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 29 TYR OH : rot 149:sc= 1.21 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc=-0.00624 K(o=-0.0062,f=-0.61) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 120:sc= -2.1 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 173:sc=-0.000371 (180deg=-0.0701) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -77:sc= 0.0605 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0963) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -1:sc= 2.17 USER MOD Single : A 61 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.54) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -39:sc= 1.21 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -166:sc= 0.63 (180deg=0.541) USER MOD Single : A 76 SER OG : rot -115:sc= 1 USER MOD Single : A 79 TYR OH : rot 180:sc= 0.215 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0277 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.0806 X(o=-0.081,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 4.005 -11.712 -2.574 1.00 0.00 N ATOM 50 CA GLU A 4 3.912 -12.386 -1.287 1.00 0.00 C ATOM 51 C GLU A 4 2.965 -11.598 -0.384 1.00 0.00 C ATOM 52 O GLU A 4 2.955 -10.372 -0.445 1.00 0.00 O ATOM 53 CB GLU A 4 5.298 -12.461 -0.643 1.00 0.00 C ATOM 54 CG GLU A 4 6.297 -13.330 -1.426 1.00 0.00 C ATOM 55 CD GLU A 4 6.814 -12.666 -2.701 1.00 0.00 C ATOM 56 OE1 GLU A 4 7.343 -11.539 -2.580 1.00 0.00 O ATOM 57 OE2 GLU A 4 6.669 -13.297 -3.770 1.00 0.00 O ATOM 0 HA GLU A 4 3.531 -13.398 -1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.701 -11.453 -0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.199 -12.858 0.367 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.143 -13.568 -0.781 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.819 -14.274 -1.686 1.00 0.00 H new ATOM 64 N ILE A 5 2.187 -12.283 0.455 1.00 0.00 N ATOM 65 CA ILE A 5 1.287 -11.643 1.406 1.00 0.00 C ATOM 66 C ILE A 5 2.102 -11.277 2.651 1.00 0.00 C ATOM 67 O ILE A 5 2.994 -12.040 3.024 1.00 0.00 O ATOM 68 CB ILE A 5 0.101 -12.565 1.759 1.00 0.00 C ATOM 69 CG1 ILE A 5 -0.504 -13.298 0.544 1.00 0.00 C ATOM 70 CG2 ILE A 5 -1.019 -11.767 2.441 1.00 0.00 C ATOM 71 CD1 ILE A 5 0.033 -14.722 0.371 1.00 0.00 C ATOM 0 H ILE A 5 2.166 -13.302 0.492 1.00 0.00 H new ATOM 0 HA ILE A 5 0.857 -10.743 0.967 1.00 0.00 H new ATOM 0 HB ILE A 5 0.515 -13.318 2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.588 -13.336 0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.294 -12.725 -0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.846 -12.434 2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.638 -11.315 3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.369 -10.984 1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.432 -15.183 -0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.113 -14.689 0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.200 -15.309 1.259 1.00 0.00 H new ATOM 83 N ILE A 6 1.809 -10.146 3.302 1.00 0.00 N ATOM 84 CA ILE A 6 2.363 -9.805 4.604 1.00 0.00 C ATOM 85 C ILE A 6 1.244 -9.644 5.633 1.00 0.00 C ATOM 86 O ILE A 6 0.071 -9.512 5.285 1.00 0.00 O ATOM 87 CB ILE A 6 3.237 -8.544 4.519 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.451 -7.286 4.119 1.00 0.00 C ATOM 89 CG2 ILE A 6 4.436 -8.775 3.592 1.00 0.00 C ATOM 90 CD1 ILE A 6 3.139 -5.992 4.575 1.00 0.00 C ATOM 0 H ILE A 6 1.174 -9.439 2.931 1.00 0.00 H new ATOM 0 HA ILE A 6 3.006 -10.622 4.931 1.00 0.00 H new ATOM 0 HB ILE A 6 3.608 -8.354 5.526 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.330 -7.267 3.036 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.451 -7.334 4.551 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.041 -7.869 3.547 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.041 -9.596 3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.080 -9.024 2.592 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.542 -5.134 4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.237 -5.995 5.661 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.128 -5.927 4.122 1.00 0.00 H new ATOM 102 N ASP A 7 1.616 -9.643 6.914 1.00 0.00 N ATOM 103 CA ASP A 7 0.693 -9.494 8.020 1.00 0.00 C ATOM 104 C ASP A 7 0.151 -8.069 8.074 1.00 0.00 C ATOM 105 O ASP A 7 0.872 -7.091 7.858 1.00 0.00 O ATOM 106 CB ASP A 7 1.395 -9.827 9.342 1.00 0.00 C ATOM 107 CG ASP A 7 1.908 -11.262 9.372 1.00 0.00 C ATOM 108 OD1 ASP A 7 3.029 -11.469 8.857 1.00 0.00 O ATOM 109 OD2 ASP A 7 1.168 -12.121 9.897 1.00 0.00 O ATOM 0 H ASP A 7 2.587 -9.748 7.208 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.138 -10.183 7.870 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.229 -9.141 9.492 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.702 -9.673 10.169 1.00 0.00 H new ATOM 114 N ILE A 8 -1.130 -7.962 8.409 1.00 0.00 N ATOM 115 CA ILE A 8 -1.769 -6.728 8.778 1.00 0.00 C ATOM 116 C ILE A 8 -1.599 -6.548 10.291 1.00 0.00 C ATOM 117 O ILE A 8 -1.988 -7.409 11.074 1.00 0.00 O ATOM 118 CB ILE A 8 -3.230 -6.718 8.307 1.00 0.00 C ATOM 119 CG1 ILE A 8 -3.959 -8.073 8.189 1.00 0.00 C ATOM 120 CG2 ILE A 8 -3.295 -6.048 6.927 1.00 0.00 C ATOM 121 CD1 ILE A 8 -4.113 -8.842 9.503 1.00 0.00 C ATOM 0 H ILE A 8 -1.762 -8.763 8.428 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.307 -5.873 8.285 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.750 -6.185 9.103 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.950 -7.900 7.769 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.417 -8.699 7.480 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.328 -6.033 6.578 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.922 -5.026 7.001 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.682 -6.608 6.221 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.637 -9.779 9.317 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.128 -9.053 9.918 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.684 -8.242 10.211 1.00 0.00 H new ATOM 133 N GLY A 9 -0.958 -5.456 10.704 1.00 0.00 N ATOM 134 CA GLY A 9 -0.601 -5.203 12.091 1.00 0.00 C ATOM 135 C GLY A 9 -0.151 -3.749 12.231 1.00 0.00 C ATOM 136 O GLY A 9 -0.381 -2.974 11.304 1.00 0.00 O ATOM 0 H GLY A 9 -0.669 -4.711 10.070 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.454 -5.397 12.741 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.197 -5.876 12.403 1.00 0.00 H new ATOM 140 N PRO A 10 0.502 -3.361 13.341 1.00 0.00 N ATOM 141 CA PRO A 10 0.834 -1.970 13.627 1.00 0.00 C ATOM 142 C PRO A 10 1.629 -1.312 12.495 1.00 0.00 C ATOM 143 O PRO A 10 1.315 -0.195 12.095 1.00 0.00 O ATOM 144 CB PRO A 10 1.581 -1.974 14.966 1.00 0.00 C ATOM 145 CG PRO A 10 2.030 -3.425 15.146 1.00 0.00 C ATOM 146 CD PRO A 10 0.943 -4.221 14.425 1.00 0.00 C ATOM 0 HA PRO A 10 -0.067 -1.360 13.699 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.433 -1.294 14.948 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.934 -1.654 15.783 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.013 -3.599 14.709 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.097 -3.698 16.199 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.332 -5.166 14.046 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.119 -4.462 15.097 1.00 0.00 H new ATOM 154 N PHE A 11 2.633 -2.010 11.958 1.00 0.00 N ATOM 155 CA PHE A 11 3.369 -1.594 10.768 1.00 0.00 C ATOM 156 C PHE A 11 2.407 -1.199 9.639 1.00 0.00 C ATOM 157 O PHE A 11 2.426 -0.083 9.121 1.00 0.00 O ATOM 158 CB PHE A 11 4.281 -2.752 10.334 1.00 0.00 C ATOM 159 CG PHE A 11 4.919 -2.597 8.966 1.00 0.00 C ATOM 160 CD1 PHE A 11 6.077 -1.814 8.813 1.00 0.00 C ATOM 161 CD2 PHE A 11 4.364 -3.251 7.848 1.00 0.00 C ATOM 162 CE1 PHE A 11 6.695 -1.711 7.554 1.00 0.00 C ATOM 163 CE2 PHE A 11 4.978 -3.138 6.589 1.00 0.00 C ATOM 164 CZ PHE A 11 6.151 -2.380 6.444 1.00 0.00 C ATOM 0 H PHE A 11 2.960 -2.894 12.347 1.00 0.00 H new ATOM 0 HA PHE A 11 3.973 -0.716 10.996 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.072 -2.867 11.075 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.699 -3.674 10.343 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.492 -1.292 9.662 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.466 -3.840 7.959 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.589 -1.117 7.440 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.547 -3.635 5.732 1.00 0.00 H new ATOM 0 HZ PHE A 11 6.635 -2.311 5.481 1.00 0.00 H new ATOM 174 N THR A 12 1.558 -2.144 9.250 1.00 0.00 N ATOM 175 CA THR A 12 0.680 -2.030 8.109 1.00 0.00 C ATOM 176 C THR A 12 -0.340 -0.915 8.349 1.00 0.00 C ATOM 177 O THR A 12 -0.596 -0.095 7.468 1.00 0.00 O ATOM 178 CB THR A 12 0.039 -3.412 7.875 1.00 0.00 C ATOM 179 OG1 THR A 12 0.708 -4.409 8.646 1.00 0.00 O ATOM 180 CG2 THR A 12 0.081 -3.793 6.395 1.00 0.00 C ATOM 0 H THR A 12 1.465 -3.034 9.740 1.00 0.00 H new ATOM 0 HA THR A 12 1.220 -1.749 7.205 1.00 0.00 H new ATOM 0 HB THR A 12 -1.003 -3.353 8.190 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.741 -5.247 8.139 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.378 -4.772 6.258 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.466 -3.052 5.813 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.117 -3.827 6.057 1.00 0.00 H new ATOM 188 N GLN A 13 -0.900 -0.869 9.559 1.00 0.00 N ATOM 189 CA GLN A 13 -1.785 0.182 10.009 1.00 0.00 C ATOM 190 C GLN A 13 -1.090 1.533 9.880 1.00 0.00 C ATOM 191 O GLN A 13 -1.665 2.442 9.297 1.00 0.00 O ATOM 192 CB GLN A 13 -2.210 -0.104 11.453 1.00 0.00 C ATOM 193 CG GLN A 13 -3.198 -1.275 11.533 1.00 0.00 C ATOM 194 CD GLN A 13 -3.457 -1.706 12.972 1.00 0.00 C ATOM 195 OE1 GLN A 13 -2.602 -2.316 13.605 1.00 0.00 O ATOM 196 NE2 GLN A 13 -4.641 -1.407 13.502 1.00 0.00 N ATOM 0 H GLN A 13 -0.739 -1.587 10.265 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.681 0.213 9.389 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.329 -0.330 12.054 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.668 0.788 11.881 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.140 -0.987 11.066 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.806 -2.120 10.967 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.333 -0.898 12.951 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.857 -1.686 14.459 1.00 0.00 H new ATOM 205 N ASN A 14 0.138 1.666 10.386 1.00 0.00 N ATOM 206 CA ASN A 14 0.909 2.898 10.283 1.00 0.00 C ATOM 207 C ASN A 14 1.008 3.345 8.826 1.00 0.00 C ATOM 208 O ASN A 14 0.662 4.483 8.510 1.00 0.00 O ATOM 209 CB ASN A 14 2.300 2.725 10.901 1.00 0.00 C ATOM 210 CG ASN A 14 3.120 4.006 10.783 1.00 0.00 C ATOM 211 OD1 ASN A 14 3.732 4.266 9.753 1.00 0.00 O ATOM 212 ND2 ASN A 14 3.148 4.818 11.836 1.00 0.00 N ATOM 0 H ASN A 14 0.624 0.917 10.880 1.00 0.00 H new ATOM 0 HA ASN A 14 0.391 3.676 10.844 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.202 2.448 11.951 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.823 1.908 10.403 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.688 5.682 11.799 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.629 4.576 12.680 1.00 0.00 H new ATOM 219 N LEU A 15 1.441 2.449 7.931 1.00 0.00 N ATOM 220 CA LEU A 15 1.553 2.794 6.518 1.00 0.00 C ATOM 221 C LEU A 15 0.192 3.204 5.951 1.00 0.00 C ATOM 222 O LEU A 15 0.089 4.210 5.251 1.00 0.00 O ATOM 223 CB LEU A 15 2.174 1.647 5.710 1.00 0.00 C ATOM 224 CG LEU A 15 3.629 1.327 6.095 1.00 0.00 C ATOM 225 CD1 LEU A 15 4.147 0.229 5.160 1.00 0.00 C ATOM 226 CD2 LEU A 15 4.555 2.547 6.000 1.00 0.00 C ATOM 0 H LEU A 15 1.715 1.494 8.160 1.00 0.00 H new ATOM 0 HA LEU A 15 2.223 3.649 6.433 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.568 0.751 5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.137 1.901 4.651 1.00 0.00 H new ATOM 0 HG LEU A 15 3.634 1.004 7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.178 -0.012 5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.529 -0.662 5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.103 0.579 4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.567 2.259 6.284 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.558 2.923 4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.198 3.328 6.672 1.00 0.00 H new ATOM 238 N GLY A 16 -0.859 2.451 6.273 1.00 0.00 N ATOM 239 CA GLY A 16 -2.217 2.780 5.867 1.00 0.00 C ATOM 240 C GLY A 16 -2.631 4.172 6.357 1.00 0.00 C ATOM 241 O GLY A 16 -3.214 4.957 5.608 1.00 0.00 O ATOM 0 H GLY A 16 -0.789 1.595 6.824 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.293 2.739 4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.906 2.034 6.263 1.00 0.00 H new ATOM 245 N LYS A 17 -2.329 4.493 7.617 1.00 0.00 N ATOM 246 CA LYS A 17 -2.701 5.748 8.227 1.00 0.00 C ATOM 247 C LYS A 17 -1.978 6.865 7.489 1.00 0.00 C ATOM 248 O LYS A 17 -2.594 7.828 7.051 1.00 0.00 O ATOM 249 CB LYS A 17 -2.329 5.723 9.720 1.00 0.00 C ATOM 250 CG LYS A 17 -3.320 6.503 10.589 1.00 0.00 C ATOM 251 CD LYS A 17 -3.493 7.921 10.046 1.00 0.00 C ATOM 252 CE LYS A 17 -4.268 8.807 11.025 1.00 0.00 C ATOM 253 NZ LYS A 17 -4.482 10.154 10.468 1.00 0.00 N ATOM 0 H LYS A 17 -1.812 3.873 8.241 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.776 5.915 8.158 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.287 4.689 10.063 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.331 6.142 9.849 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.282 5.992 10.605 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.962 6.541 11.618 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.514 8.360 9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.019 7.885 9.092 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.230 8.347 11.253 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.720 8.882 11.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.009 10.733 11.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.563 10.599 10.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.025 10.082 9.584 1.00 0.00 H new ATOM 267 N PHE A 18 -0.666 6.708 7.332 1.00 0.00 N ATOM 268 CA PHE A 18 0.181 7.593 6.552 1.00 0.00 C ATOM 269 C PHE A 18 -0.405 7.821 5.158 1.00 0.00 C ATOM 270 O PHE A 18 -0.516 8.960 4.709 1.00 0.00 O ATOM 271 CB PHE A 18 1.606 7.020 6.508 1.00 0.00 C ATOM 272 CG PHE A 18 2.415 7.446 5.303 1.00 0.00 C ATOM 273 CD1 PHE A 18 2.862 8.775 5.197 1.00 0.00 C ATOM 274 CD2 PHE A 18 2.532 6.576 4.201 1.00 0.00 C ATOM 275 CE1 PHE A 18 3.429 9.231 3.995 1.00 0.00 C ATOM 276 CE2 PHE A 18 3.096 7.032 3.000 1.00 0.00 C ATOM 277 CZ PHE A 18 3.538 8.361 2.898 1.00 0.00 C ATOM 0 H PHE A 18 -0.152 5.937 7.759 1.00 0.00 H new ATOM 0 HA PHE A 18 0.227 8.573 7.026 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.135 7.324 7.411 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.547 5.932 6.525 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.770 9.445 6.039 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.187 5.556 4.281 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.780 10.249 3.915 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.190 6.363 2.157 1.00 0.00 H new ATOM 0 HZ PHE A 18 3.964 8.716 1.971 1.00 0.00 H new ATOM 287 N ALA A 19 -0.811 6.748 4.480 1.00 0.00 N ATOM 288 CA ALA A 19 -1.393 6.843 3.151 1.00 0.00 C ATOM 289 C ALA A 19 -2.619 7.749 3.178 1.00 0.00 C ATOM 290 O ALA A 19 -2.713 8.713 2.418 1.00 0.00 O ATOM 291 CB ALA A 19 -1.739 5.450 2.626 1.00 0.00 C ATOM 0 H ALA A 19 -0.744 5.795 4.838 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.665 7.285 2.471 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.174 5.534 1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.834 4.845 2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.456 4.976 3.296 1.00 0.00 H new ATOM 297 N VAL A 20 -3.547 7.449 4.086 1.00 0.00 N ATOM 298 CA VAL A 20 -4.753 8.250 4.243 1.00 0.00 C ATOM 299 C VAL A 20 -4.394 9.690 4.618 1.00 0.00 C ATOM 300 O VAL A 20 -5.026 10.623 4.136 1.00 0.00 O ATOM 301 CB VAL A 20 -5.711 7.602 5.254 1.00 0.00 C ATOM 302 CG1 VAL A 20 -6.912 8.514 5.546 1.00 0.00 C ATOM 303 CG2 VAL A 20 -6.246 6.281 4.685 1.00 0.00 C ATOM 0 H VAL A 20 -3.483 6.655 4.723 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.279 8.287 3.289 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.154 7.432 6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.572 8.028 6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.559 9.459 5.959 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.458 8.703 4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.925 5.824 5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.780 6.475 3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.413 5.605 4.491 1.00 0.00 H new ATOM 313 N ASP A 21 -3.386 9.885 5.469 1.00 0.00 N ATOM 314 CA ASP A 21 -2.951 11.199 5.902 1.00 0.00 C ATOM 315 C ASP A 21 -2.459 12.012 4.705 1.00 0.00 C ATOM 316 O ASP A 21 -2.899 13.139 4.507 1.00 0.00 O ATOM 317 CB ASP A 21 -1.886 11.064 6.996 1.00 0.00 C ATOM 318 CG ASP A 21 -1.350 12.432 7.404 1.00 0.00 C ATOM 319 OD1 ASP A 21 -2.026 13.078 8.233 1.00 0.00 O ATOM 320 OD2 ASP A 21 -0.281 12.805 6.874 1.00 0.00 O ATOM 0 H ASP A 21 -2.847 9.121 5.878 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.792 11.741 6.334 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.312 10.562 7.865 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.067 10.440 6.637 1.00 0.00 H new ATOM 325 N GLU A 22 -1.580 11.428 3.887 1.00 0.00 N ATOM 326 CA GLU A 22 -1.073 12.044 2.667 1.00 0.00 C ATOM 327 C GLU A 22 -2.254 12.397 1.758 1.00 0.00 C ATOM 328 O GLU A 22 -2.374 13.524 1.275 1.00 0.00 O ATOM 329 CB GLU A 22 -0.089 11.092 1.960 1.00 0.00 C ATOM 330 CG GLU A 22 0.649 11.817 0.822 1.00 0.00 C ATOM 331 CD GLU A 22 1.552 10.891 0.009 1.00 0.00 C ATOM 332 OE1 GLU A 22 2.138 9.967 0.614 1.00 0.00 O ATOM 333 OE2 GLU A 22 1.643 11.127 -1.215 1.00 0.00 O ATOM 0 H GLU A 22 -1.197 10.499 4.060 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.531 12.958 2.910 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.633 10.707 2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.630 10.234 1.561 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.082 12.277 0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.250 12.624 1.242 1.00 0.00 H new ATOM 340 N GLU A 23 -3.132 11.417 1.539 1.00 0.00 N ATOM 341 CA GLU A 23 -4.297 11.563 0.688 1.00 0.00 C ATOM 342 C GLU A 23 -5.130 12.754 1.164 1.00 0.00 C ATOM 343 O GLU A 23 -5.453 13.637 0.376 1.00 0.00 O ATOM 344 CB GLU A 23 -5.080 10.242 0.682 1.00 0.00 C ATOM 345 CG GLU A 23 -6.120 10.165 -0.439 1.00 0.00 C ATOM 346 CD GLU A 23 -7.279 11.133 -0.233 1.00 0.00 C ATOM 347 OE1 GLU A 23 -7.977 10.973 0.789 1.00 0.00 O ATOM 348 OE2 GLU A 23 -7.439 12.024 -1.094 1.00 0.00 O ATOM 0 H GLU A 23 -3.046 10.490 1.957 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.008 11.773 -0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.381 9.413 0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.580 10.119 1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.637 10.380 -1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.508 9.148 -0.500 1.00 0.00 H new ATOM 355 N ASN A 24 -5.450 12.793 2.458 1.00 0.00 N ATOM 356 CA ASN A 24 -6.196 13.864 3.088 1.00 0.00 C ATOM 357 C ASN A 24 -5.454 15.189 2.948 1.00 0.00 C ATOM 358 O ASN A 24 -6.085 16.218 2.724 1.00 0.00 O ATOM 359 CB ASN A 24 -6.400 13.542 4.573 1.00 0.00 C ATOM 360 CG ASN A 24 -7.694 12.795 4.871 1.00 0.00 C ATOM 361 OD1 ASN A 24 -8.253 12.103 4.026 1.00 0.00 O ATOM 362 ND2 ASN A 24 -8.203 12.944 6.091 1.00 0.00 N ATOM 0 H ASN A 24 -5.186 12.054 3.110 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.164 13.953 2.595 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.558 12.945 4.924 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.390 14.472 5.141 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.075 12.478 6.340 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.721 13.524 6.777 1.00 0.00 H new ATOM 369 N LYS A 25 -4.125 15.181 3.101 1.00 0.00 N ATOM 370 CA LYS A 25 -3.332 16.396 2.987 1.00 0.00 C ATOM 371 C LYS A 25 -3.514 17.013 1.597 1.00 0.00 C ATOM 372 O LYS A 25 -3.665 18.226 1.473 1.00 0.00 O ATOM 373 CB LYS A 25 -1.855 16.102 3.298 1.00 0.00 C ATOM 374 CG LYS A 25 -1.061 17.360 3.678 1.00 0.00 C ATOM 375 CD LYS A 25 -1.302 17.746 5.146 1.00 0.00 C ATOM 376 CE LYS A 25 -0.589 19.049 5.525 1.00 0.00 C ATOM 377 NZ LYS A 25 0.874 18.944 5.380 1.00 0.00 N ATOM 0 H LYS A 25 -3.581 14.342 3.304 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.679 17.124 3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.797 15.382 4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.392 15.635 2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.002 17.185 3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.351 18.186 3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.372 17.855 5.320 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.954 16.941 5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.958 19.859 4.896 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.833 19.309 6.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.322 19.810 5.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.218 18.124 5.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.116 18.823 4.376 1.00 0.00 H new ATOM 391 N ILE A 26 -3.509 16.177 0.553 1.00 0.00 N ATOM 392 CA ILE A 26 -3.831 16.624 -0.800 1.00 0.00 C ATOM 393 C ILE A 26 -5.313 17.020 -0.871 1.00 0.00 C ATOM 394 O ILE A 26 -5.663 18.035 -1.467 1.00 0.00 O ATOM 395 CB ILE A 26 -3.461 15.533 -1.826 1.00 0.00 C ATOM 396 CG1 ILE A 26 -1.947 15.250 -1.773 1.00 0.00 C ATOM 397 CG2 ILE A 26 -3.865 15.968 -3.245 1.00 0.00 C ATOM 398 CD1 ILE A 26 -1.539 14.017 -2.585 1.00 0.00 C ATOM 0 H ILE A 26 -3.284 15.185 0.623 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.242 17.506 -1.051 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.003 14.622 -1.574 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.407 16.120 -2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.645 15.111 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.596 15.186 -3.956 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.941 16.137 -3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.344 16.889 -3.505 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.462 13.871 -2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.053 13.138 -2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.811 14.163 -3.630 1.00 0.00 H new ATOM 410 N GLY A 27 -6.186 16.199 -0.285 1.00 0.00 N ATOM 411 CA GLY A 27 -7.625 16.391 -0.262 1.00 0.00 C ATOM 412 C GLY A 27 -8.273 15.880 -1.546 1.00 0.00 C ATOM 413 O GLY A 27 -9.379 16.296 -1.888 1.00 0.00 O ATOM 0 H GLY A 27 -5.893 15.353 0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.050 15.869 0.595 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.851 17.450 -0.134 1.00 0.00 H new ATOM 417 N GLN A 28 -7.610 14.962 -2.256 1.00 0.00 N ATOM 418 CA GLN A 28 -8.081 14.478 -3.549 1.00 0.00 C ATOM 419 C GLN A 28 -9.455 13.812 -3.411 1.00 0.00 C ATOM 420 O GLN A 28 -10.321 13.993 -4.263 1.00 0.00 O ATOM 421 CB GLN A 28 -7.033 13.544 -4.167 1.00 0.00 C ATOM 422 CG GLN A 28 -7.332 13.269 -5.647 1.00 0.00 C ATOM 423 CD GLN A 28 -6.225 12.449 -6.304 1.00 0.00 C ATOM 424 OE1 GLN A 28 -5.616 11.592 -5.673 1.00 0.00 O ATOM 425 NE2 GLN A 28 -5.946 12.706 -7.579 1.00 0.00 N ATOM 0 H GLN A 28 -6.735 14.537 -1.948 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.211 15.321 -4.228 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.043 13.991 -4.071 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.013 12.603 -3.617 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.279 12.737 -5.734 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.448 14.215 -6.177 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.468 13.424 -8.081 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.210 12.185 -8.055 1.00 0.00 H new ATOM 434 N TYR A 29 -9.652 13.070 -2.319 1.00 0.00 N ATOM 435 CA TYR A 29 -10.938 12.510 -1.915 1.00 0.00 C ATOM 436 C TYR A 29 -11.470 13.254 -0.685 1.00 0.00 C ATOM 437 O TYR A 29 -12.117 12.674 0.186 1.00 0.00 O ATOM 438 CB TYR A 29 -10.784 11.013 -1.637 1.00 0.00 C ATOM 439 CG TYR A 29 -10.681 10.130 -2.862 1.00 0.00 C ATOM 440 CD1 TYR A 29 -9.444 9.920 -3.503 1.00 0.00 C ATOM 441 CD2 TYR A 29 -11.825 9.449 -3.315 1.00 0.00 C ATOM 442 CE1 TYR A 29 -9.347 8.990 -4.554 1.00 0.00 C ATOM 443 CE2 TYR A 29 -11.721 8.505 -4.348 1.00 0.00 C ATOM 444 CZ TYR A 29 -10.475 8.245 -4.940 1.00 0.00 C ATOM 445 OH TYR A 29 -10.349 7.229 -5.839 1.00 0.00 O ATOM 0 H TYR A 29 -8.897 12.837 -1.674 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.661 12.634 -2.721 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.893 10.864 -1.027 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.636 10.682 -1.043 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.571 10.472 -3.188 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -12.786 9.653 -2.867 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.406 8.848 -5.064 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -12.600 7.978 -4.688 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.011 6.534 -5.642 1.00 0.00 H new ATOM 455 N GLY A 30 -11.206 14.556 -0.609 1.00 0.00 N ATOM 456 CA GLY A 30 -11.571 15.366 0.538 1.00 0.00 C ATOM 457 C GLY A 30 -10.949 14.806 1.819 1.00 0.00 C ATOM 458 O GLY A 30 -9.802 14.364 1.819 1.00 0.00 O ATOM 0 H GLY A 30 -10.731 15.076 -1.347 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.237 16.392 0.385 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.656 15.395 0.638 1.00 0.00 H new ATOM 462 N ARG A 31 -11.709 14.845 2.915 1.00 0.00 N ATOM 463 CA ARG A 31 -11.274 14.411 4.231 1.00 0.00 C ATOM 464 C ARG A 31 -11.813 13.010 4.518 1.00 0.00 C ATOM 465 O ARG A 31 -12.911 12.870 5.054 1.00 0.00 O ATOM 466 CB ARG A 31 -11.781 15.414 5.274 1.00 0.00 C ATOM 467 CG ARG A 31 -11.043 16.753 5.163 1.00 0.00 C ATOM 468 CD ARG A 31 -11.613 17.757 6.171 1.00 0.00 C ATOM 469 NE ARG A 31 -10.770 18.956 6.262 1.00 0.00 N ATOM 470 CZ ARG A 31 -9.633 19.044 6.969 1.00 0.00 C ATOM 471 NH1 ARG A 31 -9.171 17.985 7.644 1.00 0.00 N ATOM 472 NH2 ARG A 31 -8.959 20.197 6.994 1.00 0.00 N ATOM 0 H ARG A 31 -12.669 15.190 2.905 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.186 14.371 4.273 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.851 15.573 5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.644 15.003 6.274 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.979 16.606 5.347 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.140 17.147 4.151 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.623 18.041 5.874 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.689 17.288 7.152 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.072 19.784 5.749 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.684 17.104 7.623 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.306 18.059 8.179 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.309 21.004 6.478 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.094 20.271 7.530 1.00 0.00 H new ATOM 486 N LEU A 32 -11.042 11.972 4.191 1.00 0.00 N ATOM 487 CA LEU A 32 -11.355 10.622 4.634 1.00 0.00 C ATOM 488 C LEU A 32 -11.021 10.494 6.124 1.00 0.00 C ATOM 489 O LEU A 32 -10.466 11.409 6.731 1.00 0.00 O ATOM 490 CB LEU A 32 -10.581 9.594 3.796 1.00 0.00 C ATOM 491 CG LEU A 32 -10.843 9.704 2.285 1.00 0.00 C ATOM 492 CD1 LEU A 32 -10.063 8.596 1.569 1.00 0.00 C ATOM 493 CD2 LEU A 32 -12.333 9.568 1.946 1.00 0.00 C ATOM 0 H LEU A 32 -10.199 12.045 3.622 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.418 10.424 4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.514 9.718 3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.848 8.591 4.130 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.517 10.691 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.240 8.662 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.998 8.713 1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.396 7.624 1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.470 9.652 0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.696 8.597 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.893 10.358 2.446 1.00 0.00 H new ATOM 505 N THR A 33 -11.374 9.362 6.736 1.00 0.00 N ATOM 506 CA THR A 33 -11.083 9.061 8.129 1.00 0.00 C ATOM 507 C THR A 33 -10.646 7.600 8.195 1.00 0.00 C ATOM 508 O THR A 33 -11.486 6.709 8.094 1.00 0.00 O ATOM 509 CB THR A 33 -12.337 9.328 8.976 1.00 0.00 C ATOM 510 OG1 THR A 33 -12.677 10.699 8.903 1.00 0.00 O ATOM 511 CG2 THR A 33 -12.129 8.979 10.452 1.00 0.00 C ATOM 0 H THR A 33 -11.882 8.615 6.261 1.00 0.00 H new ATOM 0 HA THR A 33 -10.286 9.690 8.526 1.00 0.00 H new ATOM 0 HB THR A 33 -13.129 8.696 8.574 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.478 10.867 9.442 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.044 9.186 11.007 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.879 7.922 10.544 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.315 9.581 10.857 1.00 0.00 H new ATOM 519 N PHE A 34 -9.339 7.352 8.315 1.00 0.00 N ATOM 520 CA PHE A 34 -8.798 6.003 8.440 1.00 0.00 C ATOM 521 C PHE A 34 -9.506 5.249 9.559 1.00 0.00 C ATOM 522 O PHE A 34 -9.690 5.788 10.648 1.00 0.00 O ATOM 523 CB PHE A 34 -7.293 6.068 8.708 1.00 0.00 C ATOM 524 CG PHE A 34 -6.628 4.761 9.096 1.00 0.00 C ATOM 525 CD1 PHE A 34 -6.576 4.375 10.450 1.00 0.00 C ATOM 526 CD2 PHE A 34 -5.962 3.987 8.128 1.00 0.00 C ATOM 527 CE1 PHE A 34 -5.822 3.256 10.837 1.00 0.00 C ATOM 528 CE2 PHE A 34 -5.222 2.857 8.515 1.00 0.00 C ATOM 529 CZ PHE A 34 -5.120 2.515 9.872 1.00 0.00 C ATOM 0 H PHE A 34 -8.629 8.084 8.328 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.966 5.467 7.506 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.801 6.451 7.814 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.117 6.792 9.503 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.118 4.942 11.193 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.020 4.262 7.085 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.782 2.965 11.876 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.731 2.251 7.767 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.502 1.682 10.174 1.00 0.00 H new ATOM 539 N ASN A 35 -9.885 4.003 9.275 1.00 0.00 N ATOM 540 CA ASN A 35 -10.452 3.091 10.259 1.00 0.00 C ATOM 541 C ASN A 35 -9.381 2.091 10.669 1.00 0.00 C ATOM 542 O ASN A 35 -8.969 2.055 11.825 1.00 0.00 O ATOM 543 CB ASN A 35 -11.685 2.383 9.678 1.00 0.00 C ATOM 544 CG ASN A 35 -12.676 2.000 10.767 1.00 0.00 C ATOM 545 OD1 ASN A 35 -12.833 0.829 11.093 1.00 0.00 O ATOM 546 ND2 ASN A 35 -13.372 2.988 11.324 1.00 0.00 N ATOM 0 H ASN A 35 -9.804 3.597 8.343 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.778 3.644 11.140 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.173 3.036 8.955 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.372 1.489 9.140 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -14.062 2.782 12.046 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.216 3.952 11.028 1.00 0.00 H new ATOM 553 N LYS A 36 -8.933 1.291 9.699 1.00 0.00 N ATOM 554 CA LYS A 36 -7.931 0.242 9.870 1.00 0.00 C ATOM 555 C LYS A 36 -7.579 -0.328 8.497 1.00 0.00 C ATOM 556 O LYS A 36 -8.205 0.042 7.510 1.00 0.00 O ATOM 557 CB LYS A 36 -8.422 -0.844 10.844 1.00 0.00 C ATOM 558 CG LYS A 36 -9.762 -1.480 10.438 1.00 0.00 C ATOM 559 CD LYS A 36 -10.634 -1.682 11.682 1.00 0.00 C ATOM 560 CE LYS A 36 -11.970 -2.336 11.316 1.00 0.00 C ATOM 561 NZ LYS A 36 -12.906 -2.299 12.453 1.00 0.00 N ATOM 0 H LYS A 36 -9.271 1.360 8.739 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.029 0.662 10.316 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.666 -1.626 10.914 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.523 -0.409 11.838 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.277 -0.841 9.721 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.587 -2.436 9.945 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.106 -2.305 12.403 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.815 -0.721 12.163 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.409 -1.820 10.462 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.802 -3.369 11.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.803 -2.748 12.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.494 -2.812 13.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.083 -1.311 12.725 1.00 0.00 H new ATOM 575 N VAL A 37 -6.596 -1.227 8.425 1.00 0.00 N ATOM 576 CA VAL A 37 -6.230 -1.954 7.217 1.00 0.00 C ATOM 577 C VAL A 37 -6.565 -3.428 7.411 1.00 0.00 C ATOM 578 O VAL A 37 -6.543 -3.912 8.543 1.00 0.00 O ATOM 579 CB VAL A 37 -4.744 -1.710 6.924 1.00 0.00 C ATOM 580 CG1 VAL A 37 -3.823 -2.279 8.005 1.00 0.00 C ATOM 581 CG2 VAL A 37 -4.311 -2.244 5.556 1.00 0.00 C ATOM 0 H VAL A 37 -6.019 -1.473 9.229 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.793 -1.605 6.351 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.641 -0.625 6.919 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.785 -2.076 7.742 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.054 -1.812 8.962 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.974 -3.356 8.081 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.250 -2.042 5.406 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.485 -3.319 5.513 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.889 -1.751 4.774 1.00 0.00 H new ATOM 591 N ILE A 38 -6.890 -4.130 6.323 1.00 0.00 N ATOM 592 CA ILE A 38 -7.238 -5.547 6.364 1.00 0.00 C ATOM 593 C ILE A 38 -6.593 -6.289 5.194 1.00 0.00 C ATOM 594 O ILE A 38 -6.067 -5.671 4.269 1.00 0.00 O ATOM 595 CB ILE A 38 -8.766 -5.734 6.384 1.00 0.00 C ATOM 596 CG1 ILE A 38 -9.444 -5.078 5.168 1.00 0.00 C ATOM 597 CG2 ILE A 38 -9.361 -5.211 7.700 1.00 0.00 C ATOM 598 CD1 ILE A 38 -10.860 -5.623 4.961 1.00 0.00 C ATOM 0 H ILE A 38 -6.918 -3.727 5.386 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.846 -5.977 7.286 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.964 -6.804 6.319 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.485 -3.998 5.310 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.847 -5.260 4.274 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.442 -5.353 7.693 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.929 -5.758 8.538 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.135 -4.150 7.805 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.313 -5.140 4.095 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.815 -6.699 4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.462 -5.418 5.846 1.00 0.00 H new ATOM 610 N ARG A 39 -6.631 -7.624 5.246 1.00 0.00 N ATOM 611 CA ARG A 39 -6.242 -8.465 4.125 1.00 0.00 C ATOM 612 C ARG A 39 -7.169 -8.197 2.928 1.00 0.00 C ATOM 613 O ARG A 39 -8.321 -7.813 3.134 1.00 0.00 O ATOM 614 CB ARG A 39 -6.272 -9.952 4.529 1.00 0.00 C ATOM 615 CG ARG A 39 -7.523 -10.369 5.322 1.00 0.00 C ATOM 616 CD ARG A 39 -7.334 -10.230 6.842 1.00 0.00 C ATOM 617 NE ARG A 39 -8.367 -9.382 7.452 1.00 0.00 N ATOM 618 CZ ARG A 39 -8.473 -9.160 8.771 1.00 0.00 C ATOM 619 NH1 ARG A 39 -7.596 -9.707 9.619 1.00 0.00 N ATOM 620 NH2 ARG A 39 -9.464 -8.394 9.236 1.00 0.00 N ATOM 0 H ARG A 39 -6.933 -8.146 6.069 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.221 -8.221 3.833 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.207 -10.562 3.628 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.388 -10.172 5.127 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.369 -9.757 5.007 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.772 -11.403 5.084 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.359 -11.218 7.302 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.351 -9.807 7.047 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.045 -8.935 6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.843 -10.296 9.264 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.680 -9.536 10.621 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.136 -7.981 8.589 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.549 -8.222 10.238 1.00 0.00 H new ATOM 634 N PRO A 40 -6.720 -8.437 1.685 1.00 0.00 N ATOM 635 CA PRO A 40 -5.382 -8.878 1.309 1.00 0.00 C ATOM 636 C PRO A 40 -4.367 -7.740 1.456 1.00 0.00 C ATOM 637 O PRO A 40 -4.712 -6.568 1.311 1.00 0.00 O ATOM 638 CB PRO A 40 -5.506 -9.325 -0.151 1.00 0.00 C ATOM 639 CG PRO A 40 -6.618 -8.427 -0.691 1.00 0.00 C ATOM 640 CD PRO A 40 -7.561 -8.307 0.508 1.00 0.00 C ATOM 0 HA PRO A 40 -5.023 -9.683 1.950 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.573 -9.185 -0.697 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.766 -10.381 -0.229 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.237 -7.455 -1.006 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.114 -8.871 -1.554 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.081 -7.349 0.503 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.325 -9.084 0.485 1.00 0.00 H new ATOM 648 N CYS A 41 -3.114 -8.101 1.751 1.00 0.00 N ATOM 649 CA CYS A 41 -2.004 -7.164 1.830 1.00 0.00 C ATOM 650 C CYS A 41 -0.786 -7.845 1.222 1.00 0.00 C ATOM 651 O CYS A 41 -0.207 -8.739 1.840 1.00 0.00 O ATOM 652 CB CYS A 41 -1.739 -6.770 3.278 1.00 0.00 C ATOM 653 SG CYS A 41 -0.299 -5.683 3.263 1.00 0.00 S ATOM 0 H CYS A 41 -2.846 -9.066 1.943 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.236 -6.249 1.285 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.603 -6.262 3.705 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.552 -7.652 3.891 1.00 0.00 H new ATOM 0 HG CYS A 41 -0.625 -4.524 3.754 1.00 0.00 H new ATOM 659 N MET A 42 -0.461 -7.476 -0.017 1.00 0.00 N ATOM 660 CA MET A 42 0.480 -8.181 -0.870 1.00 0.00 C ATOM 661 C MET A 42 1.615 -7.243 -1.268 1.00 0.00 C ATOM 662 O MET A 42 1.364 -6.068 -1.516 1.00 0.00 O ATOM 663 CB MET A 42 -0.286 -8.711 -2.094 1.00 0.00 C ATOM 664 CG MET A 42 0.042 -10.178 -2.381 1.00 0.00 C ATOM 665 SD MET A 42 -0.886 -10.878 -3.771 1.00 0.00 S ATOM 666 CE MET A 42 -0.401 -12.614 -3.654 1.00 0.00 C ATOM 0 H MET A 42 -0.861 -6.651 -0.464 1.00 0.00 H new ATOM 0 HA MET A 42 0.929 -9.025 -0.346 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.358 -8.605 -1.926 1.00 0.00 H new ATOM 0 HB3 MET A 42 -0.039 -8.106 -2.967 1.00 0.00 H new ATOM 0 HG2 MET A 42 1.109 -10.268 -2.586 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.162 -10.767 -1.487 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.890 -13.183 -4.445 1.00 0.00 H new ATOM 0 HE2 MET A 42 0.680 -12.698 -3.763 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.700 -13.011 -2.684 1.00 0.00 H new ATOM 676 N LYS A 43 2.853 -7.739 -1.332 1.00 0.00 N ATOM 677 CA LYS A 43 4.012 -6.968 -1.749 1.00 0.00 C ATOM 678 C LYS A 43 4.764 -7.666 -2.876 1.00 0.00 C ATOM 679 O LYS A 43 4.656 -8.886 -3.023 1.00 0.00 O ATOM 680 CB LYS A 43 4.925 -6.692 -0.546 1.00 0.00 C ATOM 681 CG LYS A 43 5.809 -7.886 -0.155 1.00 0.00 C ATOM 682 CD LYS A 43 6.747 -7.465 0.983 1.00 0.00 C ATOM 683 CE LYS A 43 7.635 -8.627 1.446 1.00 0.00 C ATOM 684 NZ LYS A 43 8.552 -9.080 0.383 1.00 0.00 N ATOM 0 H LYS A 43 3.075 -8.705 -1.090 1.00 0.00 H new ATOM 0 HA LYS A 43 3.668 -6.011 -2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.563 -5.838 -0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.310 -6.411 0.309 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.189 -8.726 0.160 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.388 -8.222 -1.015 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.374 -6.638 0.650 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.158 -7.100 1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.214 -8.317 2.316 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.007 -9.460 1.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.213 -9.783 0.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.003 -9.510 -0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.087 -8.267 0.016 1.00 0.00 H new ATOM 698 N LYS A 44 5.552 -6.886 -3.624 1.00 0.00 N ATOM 699 CA LYS A 44 6.416 -7.349 -4.704 1.00 0.00 C ATOM 700 C LYS A 44 7.661 -6.450 -4.746 1.00 0.00 C ATOM 701 O LYS A 44 7.595 -5.290 -4.335 1.00 0.00 O ATOM 702 CB LYS A 44 5.622 -7.285 -6.014 1.00 0.00 C ATOM 703 CG LYS A 44 6.255 -8.046 -7.187 1.00 0.00 C ATOM 704 CD LYS A 44 6.435 -7.122 -8.393 1.00 0.00 C ATOM 705 CE LYS A 44 7.124 -7.871 -9.536 1.00 0.00 C ATOM 706 NZ LYS A 44 7.308 -6.997 -10.707 1.00 0.00 N ATOM 0 H LYS A 44 5.604 -5.877 -3.485 1.00 0.00 H new ATOM 0 HA LYS A 44 6.743 -8.377 -4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.623 -7.684 -5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.502 -6.240 -6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.221 -8.452 -6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.625 -8.892 -7.461 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.465 -6.752 -8.724 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.028 -6.253 -8.109 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.092 -8.243 -9.200 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.529 -8.740 -9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.777 -7.529 -11.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.381 -6.663 -11.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.896 -6.181 -10.442 1.00 0.00 H new ATOM 720 N THR A 45 8.791 -6.975 -5.229 1.00 0.00 N ATOM 721 CA THR A 45 10.032 -6.218 -5.395 1.00 0.00 C ATOM 722 C THR A 45 10.020 -5.483 -6.738 1.00 0.00 C ATOM 723 O THR A 45 9.619 -6.065 -7.745 1.00 0.00 O ATOM 724 CB THR A 45 11.229 -7.175 -5.296 1.00 0.00 C ATOM 725 OG1 THR A 45 11.186 -7.851 -4.057 1.00 0.00 O ATOM 726 CG2 THR A 45 12.570 -6.440 -5.396 1.00 0.00 C ATOM 0 H THR A 45 8.869 -7.950 -5.519 1.00 0.00 H new ATOM 0 HA THR A 45 10.119 -5.472 -4.605 1.00 0.00 H new ATOM 0 HB THR A 45 11.156 -7.872 -6.131 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.492 -7.250 -3.346 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.386 -7.159 -5.321 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.630 -5.922 -6.353 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.649 -5.716 -4.585 1.00 0.00 H new ATOM 734 N ILE A 46 10.471 -4.223 -6.753 1.00 0.00 N ATOM 735 CA ILE A 46 10.548 -3.378 -7.938 1.00 0.00 C ATOM 736 C ILE A 46 12.010 -3.159 -8.337 1.00 0.00 C ATOM 737 O ILE A 46 12.864 -2.797 -7.522 1.00 0.00 O ATOM 738 CB ILE A 46 9.738 -2.083 -7.735 1.00 0.00 C ATOM 739 CG1 ILE A 46 8.492 -2.054 -8.640 1.00 0.00 C ATOM 740 CG2 ILE A 46 10.523 -0.782 -7.966 1.00 0.00 C ATOM 741 CD1 ILE A 46 7.499 -3.181 -8.330 1.00 0.00 C ATOM 0 H ILE A 46 10.802 -3.754 -5.910 1.00 0.00 H new ATOM 0 HA ILE A 46 10.081 -3.879 -8.786 1.00 0.00 H new ATOM 0 HB ILE A 46 9.462 -2.113 -6.681 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.990 -1.093 -8.526 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.805 -2.129 -9.682 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.868 0.073 -7.799 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.363 -0.736 -7.273 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.896 -0.759 -8.990 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.643 -3.106 -9.001 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.987 -4.145 -8.471 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.160 -3.093 -7.298 1.00 0.00 H new ATOM 753 N TYR A 47 12.278 -3.399 -9.620 1.00 0.00 N ATOM 754 CA TYR A 47 13.586 -3.327 -10.238 1.00 0.00 C ATOM 755 C TYR A 47 13.584 -2.204 -11.264 1.00 0.00 C ATOM 756 O TYR A 47 12.521 -1.695 -11.623 1.00 0.00 O ATOM 757 CB TYR A 47 13.892 -4.664 -10.929 1.00 0.00 C ATOM 758 CG TYR A 47 13.898 -5.881 -10.020 1.00 0.00 C ATOM 759 CD1 TYR A 47 12.683 -6.483 -9.635 1.00 0.00 C ATOM 760 CD2 TYR A 47 15.117 -6.479 -9.652 1.00 0.00 C ATOM 761 CE1 TYR A 47 12.687 -7.646 -8.848 1.00 0.00 C ATOM 762 CE2 TYR A 47 15.120 -7.662 -8.892 1.00 0.00 C ATOM 763 CZ TYR A 47 13.908 -8.233 -8.472 1.00 0.00 C ATOM 764 OH TYR A 47 13.923 -9.357 -7.703 1.00 0.00 O ATOM 0 H TYR A 47 11.548 -3.661 -10.282 1.00 0.00 H new ATOM 0 HA TYR A 47 14.348 -3.130 -9.484 1.00 0.00 H new ATOM 0 HB2 TYR A 47 13.155 -4.823 -11.717 1.00 0.00 H new ATOM 0 HB3 TYR A 47 14.865 -4.589 -11.414 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.745 -6.048 -9.947 1.00 0.00 H new ATOM 0 HD2 TYR A 47 16.051 -6.029 -9.953 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.754 -8.089 -8.532 1.00 0.00 H new ATOM 0 HE2 TYR A 47 16.056 -8.132 -8.631 1.00 0.00 H new ATOM 0 HH TYR A 47 14.850 -9.628 -7.538 1.00 0.00 H new ATOM 884 N ILE A 55 17.558 -3.914 -8.263 1.00 0.00 N ATOM 885 CA ILE A 55 16.441 -3.588 -7.381 1.00 0.00 C ATOM 886 C ILE A 55 16.473 -2.082 -7.118 1.00 0.00 C ATOM 887 O ILE A 55 17.519 -1.565 -6.729 1.00 0.00 O ATOM 888 CB ILE A 55 16.542 -4.379 -6.058 1.00 0.00 C ATOM 889 CG1 ILE A 55 16.392 -5.884 -6.338 1.00 0.00 C ATOM 890 CG2 ILE A 55 15.461 -3.916 -5.065 1.00 0.00 C ATOM 891 CD1 ILE A 55 16.708 -6.764 -5.125 1.00 0.00 C ATOM 0 HA ILE A 55 15.497 -3.865 -7.851 1.00 0.00 H new ATOM 0 HB ILE A 55 17.520 -4.192 -5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.372 -6.085 -6.667 1.00 0.00 H new ATOM 0 HG13 ILE A 55 17.052 -6.161 -7.160 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.549 -4.485 -4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.593 -2.855 -4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.474 -4.079 -5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.582 -7.813 -5.394 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.737 -6.592 -4.809 1.00 0.00 H new ATOM 0 HD13 ILE A 55 16.031 -6.515 -4.308 1.00 0.00 H new ATOM 903 N LYS A 56 15.343 -1.390 -7.295 1.00 0.00 N ATOM 904 CA LYS A 56 15.218 0.018 -6.928 1.00 0.00 C ATOM 905 C LYS A 56 14.314 0.183 -5.707 1.00 0.00 C ATOM 906 O LYS A 56 14.448 1.167 -4.976 1.00 0.00 O ATOM 907 CB LYS A 56 14.733 0.849 -8.125 1.00 0.00 C ATOM 908 CG LYS A 56 14.927 2.352 -7.848 1.00 0.00 C ATOM 909 CD LYS A 56 14.737 3.222 -9.098 1.00 0.00 C ATOM 910 CE LYS A 56 13.287 3.271 -9.595 1.00 0.00 C ATOM 911 NZ LYS A 56 12.400 3.939 -8.627 1.00 0.00 N ATOM 0 H LYS A 56 14.495 -1.791 -7.695 1.00 0.00 H new ATOM 0 HA LYS A 56 16.202 0.395 -6.650 1.00 0.00 H new ATOM 0 HB2 LYS A 56 15.284 0.564 -9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.681 0.641 -8.318 1.00 0.00 H new ATOM 0 HG2 LYS A 56 14.220 2.669 -7.081 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.927 2.516 -7.447 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.072 4.236 -8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.374 2.841 -9.896 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.247 3.798 -10.548 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.930 2.257 -9.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.471 4.104 -9.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.285 3.336 -7.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.817 4.849 -8.345 1.00 0.00 H new ATOM 925 N GLY A 57 13.388 -0.745 -5.460 1.00 0.00 N ATOM 926 CA GLY A 57 12.445 -0.571 -4.374 1.00 0.00 C ATOM 927 C GLY A 57 11.545 -1.784 -4.214 1.00 0.00 C ATOM 928 O GLY A 57 11.839 -2.857 -4.740 1.00 0.00 O ATOM 0 H GLY A 57 13.278 -1.608 -5.992 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.988 -0.395 -3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.835 0.313 -4.559 1.00 0.00 H new ATOM 932 N TYR A 58 10.441 -1.606 -3.492 1.00 0.00 N ATOM 933 CA TYR A 58 9.403 -2.603 -3.318 1.00 0.00 C ATOM 934 C TYR A 58 8.067 -1.875 -3.316 1.00 0.00 C ATOM 935 O TYR A 58 8.021 -0.688 -2.989 1.00 0.00 O ATOM 936 CB TYR A 58 9.584 -3.351 -1.993 1.00 0.00 C ATOM 937 CG TYR A 58 11.004 -3.770 -1.662 1.00 0.00 C ATOM 938 CD1 TYR A 58 11.893 -2.844 -1.083 1.00 0.00 C ATOM 939 CD2 TYR A 58 11.458 -5.064 -1.976 1.00 0.00 C ATOM 940 CE1 TYR A 58 13.235 -3.195 -0.861 1.00 0.00 C ATOM 941 CE2 TYR A 58 12.805 -5.408 -1.773 1.00 0.00 C ATOM 942 CZ TYR A 58 13.697 -4.468 -1.230 1.00 0.00 C ATOM 943 OH TYR A 58 15.007 -4.791 -1.044 1.00 0.00 O ATOM 0 H TYR A 58 10.244 -0.735 -2.999 1.00 0.00 H new ATOM 0 HA TYR A 58 9.451 -3.335 -4.124 1.00 0.00 H new ATOM 0 HB2 TYR A 58 9.214 -2.718 -1.186 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.957 -4.242 -2.012 1.00 0.00 H new ATOM 0 HD1 TYR A 58 11.542 -1.860 -0.809 1.00 0.00 H new ATOM 0 HD2 TYR A 58 10.769 -5.795 -2.374 1.00 0.00 H new ATOM 0 HE1 TYR A 58 13.911 -2.486 -0.407 1.00 0.00 H new ATOM 0 HE2 TYR A 58 13.155 -6.396 -2.035 1.00 0.00 H new ATOM 0 HH TYR A 58 15.164 -5.709 -1.350 1.00 0.00 H new ATOM 953 N GLU A 59 6.999 -2.592 -3.656 1.00 0.00 N ATOM 954 CA GLU A 59 5.629 -2.100 -3.658 1.00 0.00 C ATOM 955 C GLU A 59 4.828 -2.976 -2.705 1.00 0.00 C ATOM 956 O GLU A 59 5.069 -4.182 -2.650 1.00 0.00 O ATOM 957 CB GLU A 59 5.025 -2.140 -5.074 1.00 0.00 C ATOM 958 CG GLU A 59 4.998 -0.762 -5.761 1.00 0.00 C ATOM 959 CD GLU A 59 6.366 -0.194 -6.131 1.00 0.00 C ATOM 960 OE1 GLU A 59 7.369 -0.917 -5.978 1.00 0.00 O ATOM 961 OE2 GLU A 59 6.388 0.971 -6.583 1.00 0.00 O ATOM 0 H GLU A 59 7.069 -3.567 -3.948 1.00 0.00 H new ATOM 0 HA GLU A 59 5.604 -1.059 -3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.600 -2.834 -5.688 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.009 -2.531 -5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.396 -0.837 -6.667 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.495 -0.055 -5.102 1.00 0.00 H new ATOM 968 N TYR A 60 3.898 -2.360 -1.970 1.00 0.00 N ATOM 969 CA TYR A 60 3.022 -2.981 -0.992 1.00 0.00 C ATOM 970 C TYR A 60 1.606 -2.505 -1.305 1.00 0.00 C ATOM 971 O TYR A 60 1.285 -1.337 -1.093 1.00 0.00 O ATOM 972 CB TYR A 60 3.413 -2.550 0.426 1.00 0.00 C ATOM 973 CG TYR A 60 4.841 -2.844 0.849 1.00 0.00 C ATOM 974 CD1 TYR A 60 5.891 -2.018 0.406 1.00 0.00 C ATOM 975 CD2 TYR A 60 5.099 -3.840 1.809 1.00 0.00 C ATOM 976 CE1 TYR A 60 7.193 -2.209 0.896 1.00 0.00 C ATOM 977 CE2 TYR A 60 6.390 -3.987 2.346 1.00 0.00 C ATOM 978 CZ TYR A 60 7.437 -3.169 1.892 1.00 0.00 C ATOM 979 OH TYR A 60 8.661 -3.245 2.487 1.00 0.00 O ATOM 0 H TYR A 60 3.733 -1.357 -2.052 1.00 0.00 H new ATOM 0 HA TYR A 60 3.096 -4.067 -1.042 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.244 -1.477 0.516 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.740 -3.039 1.130 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.695 -1.236 -0.312 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.303 -4.493 2.134 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.008 -1.617 0.507 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.576 -4.729 3.108 1.00 0.00 H new ATOM 0 HH TYR A 60 9.258 -2.574 2.095 1.00 0.00 H new ATOM 989 N GLN A 61 0.776 -3.401 -1.830 1.00 0.00 N ATOM 990 CA GLN A 61 -0.591 -3.157 -2.251 1.00 0.00 C ATOM 991 C GLN A 61 -1.539 -3.765 -1.218 1.00 0.00 C ATOM 992 O GLN A 61 -1.446 -4.958 -0.928 1.00 0.00 O ATOM 993 CB GLN A 61 -0.783 -3.756 -3.650 1.00 0.00 C ATOM 994 CG GLN A 61 -2.076 -3.249 -4.295 1.00 0.00 C ATOM 995 CD GLN A 61 -2.218 -3.693 -5.749 1.00 0.00 C ATOM 996 OE1 GLN A 61 -1.496 -4.562 -6.223 1.00 0.00 O ATOM 997 NE2 GLN A 61 -3.150 -3.091 -6.484 1.00 0.00 N ATOM 0 H GLN A 61 1.059 -4.369 -1.980 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.810 -2.091 -2.311 1.00 0.00 H new ATOM 0 HB2 GLN A 61 0.068 -3.496 -4.280 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.809 -4.844 -3.583 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.930 -3.612 -3.723 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.099 -2.160 -4.247 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.740 -2.370 -6.069 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.274 -3.351 -7.463 1.00 0.00 H new ATOM 1006 N LEU A 62 -2.434 -2.956 -0.642 1.00 0.00 N ATOM 1007 CA LEU A 62 -3.306 -3.402 0.435 1.00 0.00 C ATOM 1008 C LEU A 62 -4.613 -2.619 0.479 1.00 0.00 C ATOM 1009 O LEU A 62 -4.733 -1.571 -0.156 1.00 0.00 O ATOM 1010 CB LEU A 62 -2.557 -3.411 1.779 1.00 0.00 C ATOM 1011 CG LEU A 62 -1.884 -2.132 2.313 1.00 0.00 C ATOM 1012 CD1 LEU A 62 -0.617 -1.736 1.545 1.00 0.00 C ATOM 1013 CD2 LEU A 62 -2.825 -0.933 2.416 1.00 0.00 C ATOM 0 H LEU A 62 -2.569 -1.981 -0.911 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.595 -4.433 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.265 -3.742 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.783 -4.176 1.710 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.590 -2.408 3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.199 -0.827 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.116 -2.540 1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.866 -1.559 0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.277 -0.072 2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.225 -0.698 1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.646 -1.172 3.093 1.00 0.00 H new ATOM 1025 N TYR A 63 -5.597 -3.149 1.214 1.00 0.00 N ATOM 1026 CA TYR A 63 -6.918 -2.566 1.348 1.00 0.00 C ATOM 1027 C TYR A 63 -7.083 -1.896 2.714 1.00 0.00 C ATOM 1028 O TYR A 63 -7.096 -2.559 3.755 1.00 0.00 O ATOM 1029 CB TYR A 63 -7.974 -3.644 1.087 1.00 0.00 C ATOM 1030 CG TYR A 63 -8.444 -3.686 -0.355 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -9.167 -2.601 -0.878 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -8.144 -4.779 -1.187 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -9.700 -2.658 -2.175 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -8.653 -4.829 -2.497 1.00 0.00 C ATOM 1035 CZ TYR A 63 -9.448 -3.776 -2.983 1.00 0.00 C ATOM 1036 OH TYR A 63 -9.933 -3.806 -4.256 1.00 0.00 O ATOM 0 H TYR A 63 -5.485 -4.015 1.741 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.052 -1.779 0.606 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.564 -4.617 1.357 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.831 -3.468 1.737 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.314 -1.716 -0.277 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.522 -5.581 -0.819 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.302 -1.844 -2.550 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.433 -5.676 -3.130 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.672 -4.647 -4.686 1.00 0.00 H new ATOM 1046 N VAL A 64 -7.221 -0.567 2.686 1.00 0.00 N ATOM 1047 CA VAL A 64 -7.481 0.278 3.835 1.00 0.00 C ATOM 1048 C VAL A 64 -8.991 0.495 3.937 1.00 0.00 C ATOM 1049 O VAL A 64 -9.637 0.870 2.961 1.00 0.00 O ATOM 1050 CB VAL A 64 -6.738 1.616 3.688 1.00 0.00 C ATOM 1051 CG1 VAL A 64 -6.933 2.473 4.945 1.00 0.00 C ATOM 1052 CG2 VAL A 64 -5.234 1.402 3.470 1.00 0.00 C ATOM 0 H VAL A 64 -7.150 -0.036 1.818 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.120 -0.198 4.747 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.154 2.124 2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.402 3.417 4.827 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.995 2.670 5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.541 1.942 5.812 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.740 2.368 3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.815 0.867 4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.077 0.819 2.563 1.00 0.00 H new ATOM 1062 N TYR A 65 -9.550 0.277 5.124 1.00 0.00 N ATOM 1063 CA TYR A 65 -10.911 0.632 5.466 1.00 0.00 C ATOM 1064 C TYR A 65 -10.869 2.027 6.093 1.00 0.00 C ATOM 1065 O TYR A 65 -10.165 2.252 7.083 1.00 0.00 O ATOM 1066 CB TYR A 65 -11.486 -0.445 6.398 1.00 0.00 C ATOM 1067 CG TYR A 65 -13.001 -0.506 6.456 1.00 0.00 C ATOM 1068 CD1 TYR A 65 -13.735 -0.719 5.274 1.00 0.00 C ATOM 1069 CD2 TYR A 65 -13.669 -0.497 7.695 1.00 0.00 C ATOM 1070 CE1 TYR A 65 -15.133 -0.825 5.318 1.00 0.00 C ATOM 1071 CE2 TYR A 65 -15.066 -0.662 7.743 1.00 0.00 C ATOM 1072 CZ TYR A 65 -15.800 -0.795 6.552 1.00 0.00 C ATOM 1073 OH TYR A 65 -17.158 -0.700 6.582 1.00 0.00 O ATOM 0 H TYR A 65 -9.047 -0.165 5.893 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.570 0.671 4.599 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -11.111 -1.417 6.079 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.106 -0.272 7.405 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -13.219 -0.801 4.329 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.109 -0.363 8.609 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.696 -0.930 4.402 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.574 -0.686 8.696 1.00 0.00 H new ATOM 0 HH TYR A 65 -17.459 -0.086 5.880 1.00 0.00 H new ATOM 1083 N ALA A 66 -11.576 2.978 5.481 1.00 0.00 N ATOM 1084 CA ALA A 66 -11.591 4.374 5.880 1.00 0.00 C ATOM 1085 C ALA A 66 -13.008 4.904 5.697 1.00 0.00 C ATOM 1086 O ALA A 66 -13.624 4.665 4.662 1.00 0.00 O ATOM 1087 CB ALA A 66 -10.592 5.168 5.034 1.00 0.00 C ATOM 0 H ALA A 66 -12.168 2.787 4.673 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.297 4.479 6.924 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.608 6.214 5.338 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.590 4.764 5.179 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.865 5.092 3.982 1.00 0.00 H new ATOM 1093 N SER A 67 -13.540 5.591 6.712 1.00 0.00 N ATOM 1094 CA SER A 67 -14.899 6.123 6.720 1.00 0.00 C ATOM 1095 C SER A 67 -15.897 5.029 6.315 1.00 0.00 C ATOM 1096 O SER A 67 -16.764 5.237 5.474 1.00 0.00 O ATOM 1097 CB SER A 67 -14.972 7.368 5.820 1.00 0.00 C ATOM 1098 OG SER A 67 -16.060 8.199 6.177 1.00 0.00 O ATOM 0 H SER A 67 -13.024 5.795 7.568 1.00 0.00 H new ATOM 0 HA SER A 67 -15.174 6.438 7.726 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.042 7.930 5.898 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.073 7.061 4.779 1.00 0.00 H new ATOM 0 HG SER A 67 -16.080 8.983 5.589 1.00 0.00 H new ATOM 1104 N ASP A 68 -15.722 3.840 6.898 1.00 0.00 N ATOM 1105 CA ASP A 68 -16.483 2.624 6.629 1.00 0.00 C ATOM 1106 C ASP A 68 -16.551 2.199 5.150 1.00 0.00 C ATOM 1107 O ASP A 68 -17.376 1.349 4.814 1.00 0.00 O ATOM 1108 CB ASP A 68 -17.859 2.646 7.323 1.00 0.00 C ATOM 1109 CG ASP A 68 -18.856 3.641 6.727 1.00 0.00 C ATOM 1110 OD1 ASP A 68 -19.437 3.322 5.667 1.00 0.00 O ATOM 1111 OD2 ASP A 68 -19.043 4.699 7.368 1.00 0.00 O ATOM 0 H ASP A 68 -15.005 3.696 7.609 1.00 0.00 H new ATOM 0 HA ASP A 68 -15.901 1.823 7.085 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -18.291 1.646 7.276 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -17.716 2.882 8.377 1.00 0.00 H new ATOM 1116 N LYS A 69 -15.663 2.707 4.285 1.00 0.00 N ATOM 1117 CA LYS A 69 -15.558 2.317 2.883 1.00 0.00 C ATOM 1118 C LYS A 69 -14.190 1.675 2.686 1.00 0.00 C ATOM 1119 O LYS A 69 -13.244 1.996 3.405 1.00 0.00 O ATOM 1120 CB LYS A 69 -15.702 3.533 1.950 1.00 0.00 C ATOM 1121 CG LYS A 69 -17.148 3.877 1.567 1.00 0.00 C ATOM 1122 CD LYS A 69 -17.916 4.491 2.739 1.00 0.00 C ATOM 1123 CE LYS A 69 -19.356 4.848 2.367 1.00 0.00 C ATOM 1124 NZ LYS A 69 -20.083 5.336 3.551 1.00 0.00 N ATOM 0 H LYS A 69 -14.983 3.418 4.553 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.360 1.621 2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -15.252 4.400 2.433 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.134 3.345 1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -17.146 4.574 0.729 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -17.659 2.975 1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.922 3.790 3.574 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -17.398 5.388 3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -19.359 5.612 1.589 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -19.861 3.973 1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -21.103 5.349 3.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -19.897 4.706 4.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -19.763 6.298 3.783 1.00 0.00 H new ATOM 1138 N LEU A 70 -14.089 0.762 1.718 1.00 0.00 N ATOM 1139 CA LEU A 70 -12.863 0.045 1.420 1.00 0.00 C ATOM 1140 C LEU A 70 -12.152 0.760 0.267 1.00 0.00 C ATOM 1141 O LEU A 70 -12.771 1.020 -0.764 1.00 0.00 O ATOM 1142 CB LEU A 70 -13.229 -1.410 1.088 1.00 0.00 C ATOM 1143 CG LEU A 70 -12.040 -2.370 1.203 1.00 0.00 C ATOM 1144 CD1 LEU A 70 -11.681 -2.668 2.663 1.00 0.00 C ATOM 1145 CD2 LEU A 70 -12.361 -3.680 0.475 1.00 0.00 C ATOM 0 H LEU A 70 -14.870 0.502 1.116 1.00 0.00 H new ATOM 0 HA LEU A 70 -12.177 0.029 2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.022 -1.741 1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.629 -1.456 0.075 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.179 -1.886 0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.833 -3.352 2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.418 -1.739 3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.536 -3.125 3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.513 -4.360 0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.241 -4.140 0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.557 -3.473 -0.577 1.00 0.00 H new ATOM 1157 N PHE A 71 -10.872 1.099 0.452 1.00 0.00 N ATOM 1158 CA PHE A 71 -10.025 1.760 -0.531 1.00 0.00 C ATOM 1159 C PHE A 71 -8.742 0.951 -0.684 1.00 0.00 C ATOM 1160 O PHE A 71 -8.165 0.527 0.316 1.00 0.00 O ATOM 1161 CB PHE A 71 -9.654 3.166 -0.052 1.00 0.00 C ATOM 1162 CG PHE A 71 -10.794 4.164 -0.022 1.00 0.00 C ATOM 1163 CD1 PHE A 71 -11.598 4.281 1.127 1.00 0.00 C ATOM 1164 CD2 PHE A 71 -10.934 5.090 -1.072 1.00 0.00 C ATOM 1165 CE1 PHE A 71 -12.511 5.344 1.240 1.00 0.00 C ATOM 1166 CE2 PHE A 71 -11.837 6.159 -0.953 1.00 0.00 C ATOM 1167 CZ PHE A 71 -12.627 6.286 0.203 1.00 0.00 C ATOM 0 H PHE A 71 -10.384 0.910 1.327 1.00 0.00 H new ATOM 0 HA PHE A 71 -10.561 1.831 -1.478 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -9.233 3.091 0.951 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -8.869 3.556 -0.699 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -11.514 3.554 1.922 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -10.346 4.979 -1.971 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -13.124 5.437 2.124 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -11.925 6.883 -1.749 1.00 0.00 H new ATOM 0 HZ PHE A 71 -13.323 7.107 0.294 1.00 0.00 H new ATOM 1177 N ARG A 72 -8.280 0.750 -1.916 1.00 0.00 N ATOM 1178 CA ARG A 72 -6.985 0.139 -2.162 1.00 0.00 C ATOM 1179 C ARG A 72 -5.925 1.234 -2.106 1.00 0.00 C ATOM 1180 O ARG A 72 -6.124 2.308 -2.673 1.00 0.00 O ATOM 1181 CB ARG A 72 -6.987 -0.588 -3.514 1.00 0.00 C ATOM 1182 CG ARG A 72 -5.639 -1.272 -3.793 1.00 0.00 C ATOM 1183 CD ARG A 72 -4.737 -0.408 -4.682 1.00 0.00 C ATOM 1184 NE ARG A 72 -5.153 -0.497 -6.086 1.00 0.00 N ATOM 1185 CZ ARG A 72 -4.442 -0.024 -7.118 1.00 0.00 C ATOM 1186 NH1 ARG A 72 -3.264 0.569 -6.908 1.00 0.00 N ATOM 1187 NH2 ARG A 72 -4.918 -0.156 -8.360 1.00 0.00 N ATOM 0 H ARG A 72 -8.790 1.005 -2.762 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.762 -0.610 -1.402 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.783 -1.333 -3.525 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.206 0.124 -4.310 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.132 -1.476 -2.850 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.812 -2.234 -4.276 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.778 0.630 -4.351 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.701 -0.734 -4.583 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.044 -0.950 -6.290 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.902 0.663 -5.959 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.726 0.928 -7.697 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.816 -0.614 -8.516 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.383 0.201 -9.152 1.00 0.00 H new ATOM 1201 N ALA A 73 -4.791 0.955 -1.462 1.00 0.00 N ATOM 1202 CA ALA A 73 -3.609 1.798 -1.505 1.00 0.00 C ATOM 1203 C ALA A 73 -2.428 0.938 -1.943 1.00 0.00 C ATOM 1204 O ALA A 73 -2.322 -0.214 -1.521 1.00 0.00 O ATOM 1205 CB ALA A 73 -3.363 2.422 -0.130 1.00 0.00 C ATOM 0 H ALA A 73 -4.672 0.121 -0.887 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.743 2.614 -2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.475 3.053 -0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.224 3.026 0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.214 1.632 0.607 1.00 0.00 H new ATOM 1211 N ASP A 74 -1.562 1.489 -2.799 1.00 0.00 N ATOM 1212 CA ASP A 74 -0.268 0.912 -3.127 1.00 0.00 C ATOM 1213 C ASP A 74 0.803 1.875 -2.643 1.00 0.00 C ATOM 1214 O ASP A 74 0.886 3.007 -3.124 1.00 0.00 O ATOM 1215 CB ASP A 74 -0.132 0.642 -4.621 1.00 0.00 C ATOM 1216 CG ASP A 74 1.233 0.046 -4.957 1.00 0.00 C ATOM 1217 OD1 ASP A 74 1.603 -0.950 -4.298 1.00 0.00 O ATOM 1218 OD2 ASP A 74 1.879 0.595 -5.874 1.00 0.00 O ATOM 0 H ASP A 74 -1.750 2.364 -3.289 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.160 -0.054 -2.634 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.918 -0.041 -4.942 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.272 1.571 -5.174 1.00 0.00 H new ATOM 1223 N ILE A 75 1.581 1.414 -1.670 1.00 0.00 N ATOM 1224 CA ILE A 75 2.682 2.130 -1.054 1.00 0.00 C ATOM 1225 C ILE A 75 3.956 1.621 -1.718 1.00 0.00 C ATOM 1226 O ILE A 75 4.034 0.434 -2.032 1.00 0.00 O ATOM 1227 CB ILE A 75 2.705 1.845 0.462 1.00 0.00 C ATOM 1228 CG1 ILE A 75 1.312 1.835 1.116 1.00 0.00 C ATOM 1229 CG2 ILE A 75 3.638 2.822 1.188 1.00 0.00 C ATOM 1230 CD1 ILE A 75 0.519 3.127 0.907 1.00 0.00 C ATOM 0 H ILE A 75 1.451 0.484 -1.273 1.00 0.00 H new ATOM 0 HA ILE A 75 2.584 3.208 -1.184 1.00 0.00 H new ATOM 0 HB ILE A 75 3.092 0.832 0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.739 1.000 0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.425 1.659 2.186 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.637 2.601 2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.650 2.718 0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.291 3.843 1.029 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.451 3.042 1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.070 3.965 1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.373 3.296 -0.160 1.00 0.00 H new ATOM 1242 N SER A 76 4.952 2.487 -1.908 1.00 0.00 N ATOM 1243 CA SER A 76 6.245 2.102 -2.453 1.00 0.00 C ATOM 1244 C SER A 76 7.316 2.414 -1.422 1.00 0.00 C ATOM 1245 O SER A 76 7.196 3.422 -0.729 1.00 0.00 O ATOM 1246 CB SER A 76 6.513 2.857 -3.753 1.00 0.00 C ATOM 1247 OG SER A 76 5.456 2.616 -4.655 1.00 0.00 O ATOM 0 H SER A 76 4.879 3.480 -1.685 1.00 0.00 H new ATOM 0 HA SER A 76 6.254 1.035 -2.676 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.602 3.925 -3.555 1.00 0.00 H new ATOM 0 HB3 SER A 76 7.459 2.533 -4.187 1.00 0.00 H new ATOM 0 HG SER A 76 5.796 2.128 -5.434 1.00 0.00 H new ATOM 1253 N GLU A 77 8.343 1.565 -1.344 1.00 0.00 N ATOM 1254 CA GLU A 77 9.572 1.751 -0.588 1.00 0.00 C ATOM 1255 C GLU A 77 10.699 1.887 -1.598 1.00 0.00 C ATOM 1256 O GLU A 77 10.816 1.028 -2.473 1.00 0.00 O ATOM 1257 CB GLU A 77 9.808 0.522 0.295 1.00 0.00 C ATOM 1258 CG GLU A 77 11.099 0.632 1.123 1.00 0.00 C ATOM 1259 CD GLU A 77 11.305 -0.573 2.037 1.00 0.00 C ATOM 1260 OE1 GLU A 77 10.649 -1.608 1.781 1.00 0.00 O ATOM 1261 OE2 GLU A 77 12.125 -0.442 2.970 1.00 0.00 O ATOM 0 H GLU A 77 8.332 0.674 -1.841 1.00 0.00 H new ATOM 0 HA GLU A 77 9.518 2.633 0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.959 0.393 0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.857 -0.368 -0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.952 0.726 0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.066 1.540 1.725 1.00 0.00 H new ATOM 1268 N ASP A 78 11.527 2.927 -1.468 1.00 0.00 N ATOM 1269 CA ASP A 78 12.724 3.065 -2.287 1.00 0.00 C ATOM 1270 C ASP A 78 13.898 2.434 -1.539 1.00 0.00 C ATOM 1271 O ASP A 78 14.165 2.793 -0.392 1.00 0.00 O ATOM 1272 CB ASP A 78 12.984 4.536 -2.617 1.00 0.00 C ATOM 1273 CG ASP A 78 14.203 4.681 -3.523 1.00 0.00 C ATOM 1274 OD1 ASP A 78 15.324 4.484 -3.005 1.00 0.00 O ATOM 1275 OD2 ASP A 78 13.993 4.966 -4.721 1.00 0.00 O ATOM 0 H ASP A 78 11.386 3.685 -0.800 1.00 0.00 H new ATOM 0 HA ASP A 78 12.591 2.549 -3.238 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.109 4.964 -3.106 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.141 5.098 -1.696 1.00 0.00 H new ATOM 1280 N TYR A 79 14.591 1.499 -2.191 1.00 0.00 N ATOM 1281 CA TYR A 79 15.685 0.734 -1.612 1.00 0.00 C ATOM 1282 C TYR A 79 16.806 1.649 -1.122 1.00 0.00 C ATOM 1283 O TYR A 79 17.350 1.439 -0.043 1.00 0.00 O ATOM 1284 CB TYR A 79 16.208 -0.262 -2.657 1.00 0.00 C ATOM 1285 CG TYR A 79 17.372 -1.107 -2.177 1.00 0.00 C ATOM 1286 CD1 TYR A 79 17.143 -2.162 -1.277 1.00 0.00 C ATOM 1287 CD2 TYR A 79 18.689 -0.787 -2.559 1.00 0.00 C ATOM 1288 CE1 TYR A 79 18.224 -2.894 -0.759 1.00 0.00 C ATOM 1289 CE2 TYR A 79 19.772 -1.500 -2.015 1.00 0.00 C ATOM 1290 CZ TYR A 79 19.537 -2.537 -1.097 1.00 0.00 C ATOM 1291 OH TYR A 79 20.575 -3.116 -0.427 1.00 0.00 O ATOM 0 H TYR A 79 14.398 1.250 -3.161 1.00 0.00 H new ATOM 0 HA TYR A 79 15.315 0.189 -0.744 1.00 0.00 H new ATOM 0 HB2 TYR A 79 15.393 -0.921 -2.955 1.00 0.00 H new ATOM 0 HB3 TYR A 79 16.515 0.288 -3.547 1.00 0.00 H new ATOM 0 HD1 TYR A 79 16.134 -2.410 -0.983 1.00 0.00 H new ATOM 0 HD2 TYR A 79 18.867 0.006 -3.270 1.00 0.00 H new ATOM 0 HE1 TYR A 79 18.044 -3.731 -0.101 1.00 0.00 H new ATOM 0 HE2 TYR A 79 20.783 -1.251 -2.302 1.00 0.00 H new ATOM 0 HH TYR A 79 21.423 -2.768 -0.774 1.00 0.00 H new ATOM 1301 N LYS A 80 17.167 2.658 -1.916 1.00 0.00 N ATOM 1302 CA LYS A 80 18.260 3.557 -1.587 1.00 0.00 C ATOM 1303 C LYS A 80 17.850 4.454 -0.418 1.00 0.00 C ATOM 1304 O LYS A 80 18.599 4.604 0.543 1.00 0.00 O ATOM 1305 CB LYS A 80 18.656 4.356 -2.836 1.00 0.00 C ATOM 1306 CG LYS A 80 19.939 5.171 -2.616 1.00 0.00 C ATOM 1307 CD LYS A 80 20.300 6.013 -3.848 1.00 0.00 C ATOM 1308 CE LYS A 80 20.779 5.153 -5.025 1.00 0.00 C ATOM 1309 NZ LYS A 80 21.139 5.987 -6.185 1.00 0.00 N ATOM 0 H LYS A 80 16.708 2.870 -2.802 1.00 0.00 H new ATOM 0 HA LYS A 80 19.138 2.995 -1.269 1.00 0.00 H new ATOM 0 HB2 LYS A 80 18.800 3.673 -3.673 1.00 0.00 H new ATOM 0 HB3 LYS A 80 17.842 5.028 -3.109 1.00 0.00 H new ATOM 0 HG2 LYS A 80 19.810 5.825 -1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 80 20.763 4.496 -2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 80 19.430 6.593 -4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 80 21.080 6.726 -3.581 1.00 0.00 H new ATOM 0 HE2 LYS A 80 21.641 4.561 -4.718 1.00 0.00 H new ATOM 0 HE3 LYS A 80 19.995 4.451 -5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 21.459 5.378 -6.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 20.309 6.533 -6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 21.904 6.640 -5.919 1.00 0.00 H new ATOM 1323 N THR A 81 16.664 5.061 -0.502 1.00 0.00 N ATOM 1324 CA THR A 81 16.187 5.981 0.517 1.00 0.00 C ATOM 1325 C THR A 81 15.900 5.252 1.833 1.00 0.00 C ATOM 1326 O THR A 81 16.003 5.856 2.898 1.00 0.00 O ATOM 1327 CB THR A 81 14.932 6.704 0.007 1.00 0.00 C ATOM 1328 OG1 THR A 81 15.076 6.983 -1.374 1.00 0.00 O ATOM 1329 CG2 THR A 81 14.690 8.017 0.755 1.00 0.00 C ATOM 0 H THR A 81 16.015 4.925 -1.277 1.00 0.00 H new ATOM 0 HA THR A 81 16.966 6.716 0.717 1.00 0.00 H new ATOM 0 HB THR A 81 14.078 6.049 0.180 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.274 7.443 -1.700 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.793 8.498 0.365 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.559 7.812 1.817 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.546 8.678 0.616 1.00 0.00 H new ATOM 1337 N ARG A 82 15.483 3.982 1.758 1.00 0.00 N ATOM 1338 CA ARG A 82 14.960 3.224 2.885 1.00 0.00 C ATOM 1339 C ARG A 82 13.787 3.981 3.513 1.00 0.00 C ATOM 1340 O ARG A 82 13.648 4.045 4.732 1.00 0.00 O ATOM 1341 CB ARG A 82 16.057 2.939 3.924 1.00 0.00 C ATOM 1342 CG ARG A 82 17.344 2.307 3.380 1.00 0.00 C ATOM 1343 CD ARG A 82 17.179 0.818 3.066 1.00 0.00 C ATOM 1344 NE ARG A 82 18.461 0.254 2.627 1.00 0.00 N ATOM 1345 CZ ARG A 82 18.654 -1.014 2.245 1.00 0.00 C ATOM 1346 NH1 ARG A 82 17.656 -1.900 2.321 1.00 0.00 N ATOM 1347 NH2 ARG A 82 19.854 -1.380 1.782 1.00 0.00 N ATOM 0 H ARG A 82 15.503 3.447 0.890 1.00 0.00 H new ATOM 0 HA ARG A 82 14.604 2.260 2.523 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.315 3.876 4.418 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.645 2.279 4.688 1.00 0.00 H new ATOM 0 HG2 ARG A 82 17.650 2.834 2.476 1.00 0.00 H new ATOM 0 HG3 ARG A 82 18.144 2.435 4.109 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.823 0.289 3.950 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.427 0.683 2.289 1.00 0.00 H new ATOM 0 HE ARG A 82 19.268 0.877 2.612 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.743 -1.611 2.671 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.808 -2.865 2.029 1.00 0.00 H new ATOM 0 HH21 ARG A 82 20.608 -0.696 1.723 1.00 0.00 H new ATOM 0 HH22 ARG A 82 20.015 -2.343 1.487 1.00 0.00 H new ATOM 1361 N GLY A 83 12.941 4.556 2.658 1.00 0.00 N ATOM 1362 CA GLY A 83 11.781 5.331 3.049 1.00 0.00 C ATOM 1363 C GLY A 83 10.666 5.016 2.066 1.00 0.00 C ATOM 1364 O GLY A 83 10.952 4.574 0.945 1.00 0.00 O ATOM 0 H GLY A 83 13.054 4.489 1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.478 5.080 4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.011 6.396 3.039 1.00 0.00 H new ATOM 1368 N ARG A 84 9.415 5.204 2.500 1.00 0.00 N ATOM 1369 CA ARG A 84 8.241 4.875 1.717 1.00 0.00 C ATOM 1370 C ARG A 84 7.427 6.111 1.348 1.00 0.00 C ATOM 1371 O ARG A 84 7.681 7.211 1.834 1.00 0.00 O ATOM 1372 CB ARG A 84 7.359 3.870 2.465 1.00 0.00 C ATOM 1373 CG ARG A 84 8.121 2.619 2.921 1.00 0.00 C ATOM 1374 CD ARG A 84 7.146 1.468 3.218 1.00 0.00 C ATOM 1375 NE ARG A 84 7.828 0.181 3.424 1.00 0.00 N ATOM 1376 CZ ARG A 84 8.542 -0.168 4.503 1.00 0.00 C ATOM 1377 NH1 ARG A 84 8.712 0.698 5.509 1.00 0.00 N ATOM 1378 NH2 ARG A 84 9.082 -1.390 4.573 1.00 0.00 N ATOM 0 H ARG A 84 9.197 5.594 3.417 1.00 0.00 H new ATOM 0 HA ARG A 84 8.594 4.425 0.789 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.921 4.358 3.336 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.534 3.570 1.819 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.826 2.315 2.148 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.705 2.847 3.813 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.564 1.712 4.107 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.442 1.372 2.392 1.00 0.00 H new ATOM 0 HE ARG A 84 7.750 -0.509 2.677 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.297 1.628 5.457 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.256 0.428 6.328 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.949 -2.051 3.807 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.626 -1.661 5.392 1.00 0.00 H new ATOM 1392 N LYS A 85 6.438 5.890 0.481 1.00 0.00 N ATOM 1393 CA LYS A 85 5.573 6.897 -0.104 1.00 0.00 C ATOM 1394 C LYS A 85 4.318 6.252 -0.692 1.00 0.00 C ATOM 1395 O LYS A 85 4.377 5.113 -1.147 1.00 0.00 O ATOM 1396 CB LYS A 85 6.352 7.690 -1.160 1.00 0.00 C ATOM 1397 CG LYS A 85 6.812 6.801 -2.327 1.00 0.00 C ATOM 1398 CD LYS A 85 8.136 7.288 -2.921 1.00 0.00 C ATOM 1399 CE LYS A 85 8.017 8.699 -3.512 1.00 0.00 C ATOM 1400 NZ LYS A 85 9.295 9.142 -4.096 1.00 0.00 N ATOM 0 H LYS A 85 6.213 4.950 0.155 1.00 0.00 H new ATOM 0 HA LYS A 85 5.245 7.590 0.671 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.725 8.495 -1.543 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.221 8.156 -0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.925 5.774 -1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.046 6.793 -3.103 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.904 7.283 -2.148 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.461 6.596 -3.698 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.241 8.711 -4.277 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.708 9.397 -2.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.184 10.099 -4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.029 9.152 -3.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.575 8.488 -4.854 1.00 0.00 H new ATOM 1414 N LEU A 86 3.186 6.961 -0.684 1.00 0.00 N ATOM 1415 CA LEU A 86 1.992 6.523 -1.398 1.00 0.00 C ATOM 1416 C LEU A 86 2.262 6.601 -2.904 1.00 0.00 C ATOM 1417 O LEU A 86 2.811 7.602 -3.361 1.00 0.00 O ATOM 1418 CB LEU A 86 0.832 7.442 -0.998 1.00 0.00 C ATOM 1419 CG LEU A 86 -0.517 7.130 -1.663 1.00 0.00 C ATOM 1420 CD1 LEU A 86 -0.977 5.701 -1.359 1.00 0.00 C ATOM 1421 CD2 LEU A 86 -1.543 8.140 -1.134 1.00 0.00 C ATOM 0 H LEU A 86 3.075 7.845 -0.187 1.00 0.00 H new ATOM 0 HA LEU A 86 1.734 5.494 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.705 7.389 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.106 8.470 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.416 7.209 -2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.935 5.516 -1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.237 4.993 -1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.087 5.576 -0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.514 7.944 -1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.623 8.044 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.222 9.151 -1.386 1.00 0.00 H new ATOM 1433 N LEU A 87 1.888 5.570 -3.670 1.00 0.00 N ATOM 1434 CA LEU A 87 2.020 5.564 -5.123 1.00 0.00 C ATOM 1435 C LEU A 87 0.647 5.735 -5.767 1.00 0.00 C ATOM 1436 O LEU A 87 0.409 6.726 -6.455 1.00 0.00 O ATOM 1437 CB LEU A 87 2.700 4.269 -5.588 1.00 0.00 C ATOM 1438 CG LEU A 87 3.266 4.379 -7.016 1.00 0.00 C ATOM 1439 CD1 LEU A 87 4.598 5.141 -7.037 1.00 0.00 C ATOM 1440 CD2 LEU A 87 3.480 2.980 -7.606 1.00 0.00 C ATOM 0 H LEU A 87 1.483 4.713 -3.292 1.00 0.00 H new ATOM 0 HA LEU A 87 2.648 6.399 -5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.507 4.019 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.981 3.451 -5.548 1.00 0.00 H new ATOM 0 HG LEU A 87 2.541 4.931 -7.615 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.968 5.199 -8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.447 6.148 -6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.326 4.618 -6.417 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.880 3.068 -8.616 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.183 2.426 -6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.529 2.449 -7.638 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.243 4.758 -5.566 1.00 0.00 N ATOM 1453 CA ARG A 88 -1.616 4.776 -6.069 1.00 0.00 C ATOM 1454 C ARG A 88 -2.552 4.693 -4.865 1.00 0.00 C ATOM 1455 O ARG A 88 -2.242 4.011 -3.887 1.00 0.00 O ATOM 1456 CB ARG A 88 -1.903 3.583 -7.003 1.00 0.00 C ATOM 1457 CG ARG A 88 -1.665 3.793 -8.505 1.00 0.00 C ATOM 1458 CD ARG A 88 -0.195 4.001 -8.877 1.00 0.00 C ATOM 1459 NE ARG A 88 0.135 5.429 -8.923 1.00 0.00 N ATOM 1460 CZ ARG A 88 0.200 6.216 -10.005 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -0.081 5.748 -11.226 1.00 0.00 N ATOM 1462 NH2 ARG A 88 0.547 7.495 -9.836 1.00 0.00 N ATOM 0 H ARG A 88 -0.022 3.915 -5.037 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.768 5.691 -6.642 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.288 2.744 -6.678 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.943 3.288 -6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.048 2.929 -9.048 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.239 4.658 -8.836 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.443 3.499 -8.150 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.007 3.545 -9.846 1.00 0.00 H new ATOM 0 HE ARG A 88 0.338 5.874 -8.028 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.352 4.772 -11.348 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.024 6.367 -12.035 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.754 7.848 -8.902 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.605 8.118 -10.641 1.00 0.00 H new ATOM 1476 N PHE A 89 -3.710 5.349 -4.964 1.00 0.00 N ATOM 1477 CA PHE A 89 -4.817 5.233 -4.033 1.00 0.00 C ATOM 1478 C PHE A 89 -6.076 5.147 -4.886 1.00 0.00 C ATOM 1479 O PHE A 89 -6.218 5.936 -5.818 1.00 0.00 O ATOM 1480 CB PHE A 89 -4.858 6.458 -3.119 1.00 0.00 C ATOM 1481 CG PHE A 89 -5.954 6.405 -2.075 1.00 0.00 C ATOM 1482 CD1 PHE A 89 -5.757 5.681 -0.885 1.00 0.00 C ATOM 1483 CD2 PHE A 89 -7.178 7.058 -2.303 1.00 0.00 C ATOM 1484 CE1 PHE A 89 -6.772 5.631 0.086 1.00 0.00 C ATOM 1485 CE2 PHE A 89 -8.189 7.019 -1.327 1.00 0.00 C ATOM 1486 CZ PHE A 89 -7.984 6.306 -0.133 1.00 0.00 C ATOM 0 H PHE A 89 -3.902 5.999 -5.727 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.721 4.357 -3.392 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.896 6.558 -2.617 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.993 7.351 -3.729 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.824 5.163 -0.717 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.342 7.590 -3.229 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.620 5.074 0.999 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.122 7.536 -1.494 1.00 0.00 H new ATOM 0 HZ PHE A 89 -8.760 6.277 0.617 1.00 0.00 H new ATOM 1496 N ASN A 90 -6.951 4.176 -4.623 1.00 0.00 N ATOM 1497 CA ASN A 90 -8.107 3.891 -5.449 1.00 0.00 C ATOM 1498 C ASN A 90 -9.254 3.443 -4.553 1.00 0.00 C ATOM 1499 O ASN A 90 -9.034 2.922 -3.462 1.00 0.00 O ATOM 1500 CB ASN A 90 -7.762 2.775 -6.434 1.00 0.00 C ATOM 1501 CG ASN A 90 -6.735 3.202 -7.480 1.00 0.00 C ATOM 1502 OD1 ASN A 90 -5.535 3.027 -7.294 1.00 0.00 O ATOM 1503 ND2 ASN A 90 -7.192 3.756 -8.599 1.00 0.00 N ATOM 0 H ASN A 90 -6.868 3.560 -3.815 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.398 4.783 -6.003 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.377 1.917 -5.883 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.672 2.448 -6.938 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -6.540 4.047 -9.327 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -8.195 3.890 -8.729 1.00 0.00 H new ATOM 1510 N GLY A 91 -10.480 3.631 -5.036 1.00 0.00 N ATOM 1511 CA GLY A 91 -11.710 3.362 -4.308 1.00 0.00 C ATOM 1512 C GLY A 91 -12.593 4.611 -4.334 1.00 0.00 C ATOM 1513 O GLY A 91 -12.329 5.508 -5.136 1.00 0.00 O ATOM 0 H GLY A 91 -10.646 3.987 -5.977 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.236 2.520 -4.758 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.484 3.083 -3.279 1.00 0.00 H new ATOM 1517 N PRO A 92 -13.619 4.695 -3.474 1.00 0.00 N ATOM 1518 CA PRO A 92 -14.062 3.627 -2.592 1.00 0.00 C ATOM 1519 C PRO A 92 -14.642 2.477 -3.417 1.00 0.00 C ATOM 1520 O PRO A 92 -15.103 2.687 -4.536 1.00 0.00 O ATOM 1521 CB PRO A 92 -15.144 4.255 -1.712 1.00 0.00 C ATOM 1522 CG PRO A 92 -15.730 5.354 -2.598 1.00 0.00 C ATOM 1523 CD PRO A 92 -14.520 5.833 -3.403 1.00 0.00 C ATOM 0 HA PRO A 92 -13.246 3.217 -1.997 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.901 3.525 -1.424 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -14.726 4.662 -0.791 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.519 4.972 -3.245 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -16.165 6.160 -2.006 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -14.817 6.160 -4.399 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -14.039 6.683 -2.919 1.00 0.00 H new