USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 688 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 94 MET CE :methyl -113:sc= -6.39! (180deg=-13.4!) USER MOD Set 1.2: A 99 GLN : amide:sc= -1.25 K(o=-7.6,f=-13!) USER MOD Single : A 14 HIS : no HD1:sc= -15.1! C(o=-15!,f=-22!) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -1.41 F(o=-4.6!,f=-1.4) USER MOD Single : A 19 GLN : amide:sc= -0.0653 X(o=-0.065,f=0) USER MOD Single : A 23 TYR OH : rot 7:sc= -0.445! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0167 X(o=-0.017,f=-0.06) USER MOD Single : A 30 THR OG1 : rot 69:sc= 1.08 USER MOD Single : A 47 GLN : amide:sc= -6.56! C(o=-6.6!,f=-9.4!) USER MOD Single : A 48 GLN : amide:sc= -5.69! C(o=-5.7!,f=-6.5!) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.0954 F(o=-2.7!,f=-0.095) USER MOD Single : A 65 SER OG : rot 63:sc= 0.971 USER MOD Single : A 66 GLN : amide:sc= -0.846 K(o=-0.85,f=-2.9!) USER MOD Single : A 70 MET CE :methyl -149:sc= -0.202 (180deg=-1) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.0713 F(o=-1,f=-0.071) USER MOD Single : A 74 TYR OH : rot 110:sc= 0.495 USER MOD Single : A 79 TYR OH : rot -45:sc= -2.88 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0175 X(o=-0.017,f=0.28) USER MOD Single : A 83 ASN :FLIP amide:sc= 0.498 F(o=-1.5,f=0.5) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc=-0.00593 X(o=-0.0059,f=0) USER MOD Single : A 90 GLN : amide:sc=-0.00246 X(o=-0.0025,f=-0.42) USER MOD Single : A 91 HIS :FLIP no HD1:sc= -14.2! C(o=-16!,f=-14!) USER MOD Single : A 92 HIS :FLIP no HD1:sc= -3.69 F(o=-5.8!,f=-3.7) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 10 -6.778 4.005 -7.772 1.00 0.00 N ATOM 106 CA ALA A 10 -5.450 4.151 -7.203 1.00 0.00 C ATOM 107 C ALA A 10 -4.536 3.061 -7.768 1.00 0.00 C ATOM 108 O ALA A 10 -4.909 1.889 -7.800 1.00 0.00 O ATOM 109 CB ALA A 10 -5.540 4.103 -5.677 1.00 0.00 C ATOM 0 HA ALA A 10 -5.020 5.115 -7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.543 4.213 -5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.177 4.914 -5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.964 3.148 -5.367 1.00 0.00 H new ATOM 115 N PRO A 11 -3.327 3.498 -8.210 1.00 0.00 N ATOM 116 CA PRO A 11 -2.357 2.573 -8.772 1.00 0.00 C ATOM 117 C PRO A 11 -1.694 1.740 -7.673 1.00 0.00 C ATOM 118 O PRO A 11 -1.901 1.992 -6.487 1.00 0.00 O ATOM 119 CB PRO A 11 -1.372 3.447 -9.531 1.00 0.00 C ATOM 120 CG PRO A 11 -1.557 4.853 -8.984 1.00 0.00 C ATOM 121 CD PRO A 11 -2.852 4.878 -8.188 1.00 0.00 C ATOM 0 HA PRO A 11 -2.812 1.840 -9.438 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.349 3.102 -9.383 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.567 3.416 -10.603 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.714 5.130 -8.350 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.595 5.577 -9.798 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.683 5.222 -7.168 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.580 5.554 -8.637 1.00 0.00 H new ATOM 129 N PRO A 12 -0.887 0.739 -8.118 1.00 0.00 N ATOM 130 CA PRO A 12 -0.192 -0.131 -7.187 1.00 0.00 C ATOM 131 C PRO A 12 0.998 0.588 -6.547 1.00 0.00 C ATOM 132 O PRO A 12 2.101 0.576 -7.091 1.00 0.00 O ATOM 133 CB PRO A 12 0.220 -1.340 -8.010 1.00 0.00 C ATOM 134 CG PRO A 12 0.151 -0.899 -9.463 1.00 0.00 C ATOM 135 CD PRO A 12 -0.617 0.412 -9.515 1.00 0.00 C ATOM 0 HA PRO A 12 -0.818 -0.431 -6.347 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.227 -1.666 -7.748 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.446 -2.183 -7.826 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.153 -0.771 -9.871 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.346 -1.657 -10.069 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.032 1.194 -9.999 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.541 0.307 -10.083 1.00 0.00 H new ATOM 143 N ASP A 13 0.732 1.198 -5.400 1.00 0.00 N ATOM 144 CA ASP A 13 1.767 1.922 -4.681 1.00 0.00 C ATOM 145 C ASP A 13 3.055 1.096 -4.681 1.00 0.00 C ATOM 146 O ASP A 13 4.150 1.649 -4.594 1.00 0.00 O ATOM 147 CB ASP A 13 1.360 2.162 -3.226 1.00 0.00 C ATOM 148 CG ASP A 13 2.518 2.460 -2.271 1.00 0.00 C ATOM 149 OD1 ASP A 13 3.217 1.546 -1.812 1.00 0.00 O ATOM 150 OD2 ASP A 13 2.692 3.709 -1.998 1.00 0.00 O ATOM 0 H ASP A 13 -0.184 1.206 -4.952 1.00 0.00 H new ATOM 0 HA ASP A 13 1.915 2.881 -5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.658 2.996 -3.194 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.827 1.283 -2.864 1.00 0.00 H new ATOM 156 N HIS A 14 2.880 -0.213 -4.779 1.00 0.00 N ATOM 157 CA HIS A 14 4.016 -1.120 -4.792 1.00 0.00 C ATOM 158 C HIS A 14 3.670 -2.365 -5.611 1.00 0.00 C ATOM 159 O HIS A 14 2.515 -2.788 -5.646 1.00 0.00 O ATOM 160 CB HIS A 14 4.461 -1.454 -3.366 1.00 0.00 C ATOM 161 CG HIS A 14 3.817 -2.695 -2.797 1.00 0.00 C ATOM 162 ND1 HIS A 14 3.229 -2.727 -1.544 1.00 0.00 N ATOM 163 CD2 HIS A 14 3.674 -3.946 -3.322 1.00 0.00 C ATOM 164 CE1 HIS A 14 2.758 -3.949 -1.335 1.00 0.00 C ATOM 165 NE2 HIS A 14 3.035 -4.702 -2.437 1.00 0.00 N ATOM 0 H HIS A 14 1.970 -0.668 -4.850 1.00 0.00 H new ATOM 0 HA HIS A 14 4.866 -0.636 -5.273 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.544 -1.581 -3.354 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.232 -0.608 -2.717 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.022 -4.267 -4.293 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.245 -4.288 -0.447 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.791 -5.685 -2.561 1.00 0.00 H new ATOM 173 N LEU A 15 4.691 -2.917 -6.250 1.00 0.00 N ATOM 174 CA LEU A 15 4.509 -4.105 -7.066 1.00 0.00 C ATOM 175 C LEU A 15 5.566 -5.144 -6.690 1.00 0.00 C ATOM 176 O LEU A 15 6.686 -4.792 -6.323 1.00 0.00 O ATOM 177 CB LEU A 15 4.510 -3.738 -8.552 1.00 0.00 C ATOM 178 CG LEU A 15 3.266 -3.010 -9.064 1.00 0.00 C ATOM 179 CD1 LEU A 15 3.521 -2.384 -10.437 1.00 0.00 C ATOM 180 CD2 LEU A 15 2.051 -3.941 -9.076 1.00 0.00 C ATOM 0 H LEU A 15 5.647 -2.563 -6.219 1.00 0.00 H new ATOM 0 HA LEU A 15 3.536 -4.555 -6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.380 -3.112 -8.751 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.636 -4.653 -9.132 1.00 0.00 H new ATOM 0 HG LEU A 15 3.041 -2.195 -8.376 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.620 -1.873 -10.777 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.339 -1.667 -10.364 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.786 -3.165 -11.150 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.180 -3.398 -9.444 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.251 -4.792 -9.728 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.855 -4.297 -8.065 1.00 0.00 H new ATOM 192 N TRP A 16 5.172 -6.405 -6.793 1.00 0.00 N ATOM 193 CA TRP A 16 6.071 -7.499 -6.467 1.00 0.00 C ATOM 194 C TRP A 16 6.011 -8.517 -7.608 1.00 0.00 C ATOM 195 O TRP A 16 5.000 -9.194 -7.788 1.00 0.00 O ATOM 196 CB TRP A 16 5.726 -8.106 -5.105 1.00 0.00 C ATOM 197 CG TRP A 16 6.027 -7.187 -3.920 1.00 0.00 C ATOM 198 CD1 TRP A 16 7.115 -6.432 -3.718 1.00 0.00 C ATOM 199 CD2 TRP A 16 5.181 -6.957 -2.774 1.00 0.00 C ATOM 200 NE1 TRP A 16 7.032 -5.733 -2.530 1.00 0.00 N ATOM 201 CE2 TRP A 16 5.819 -6.063 -1.938 1.00 0.00 C ATOM 202 CE3 TRP A 16 3.918 -7.485 -2.455 1.00 0.00 C ATOM 203 CZ2 TRP A 16 5.270 -5.619 -0.728 1.00 0.00 C ATOM 204 CZ3 TRP A 16 3.383 -7.033 -1.242 1.00 0.00 C ATOM 205 CH2 TRP A 16 4.012 -6.133 -0.389 1.00 0.00 C ATOM 0 H TRP A 16 4.242 -6.693 -7.098 1.00 0.00 H new ATOM 0 HA TRP A 16 7.096 -7.140 -6.374 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.667 -8.364 -5.092 1.00 0.00 H new ATOM 0 HB3 TRP A 16 6.282 -9.035 -4.981 1.00 0.00 H new ATOM 0 HD1 TRP A 16 7.952 -6.377 -4.399 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.732 -5.092 -2.156 1.00 0.00 H new ATOM 0 HE3 TRP A 16 3.401 -8.184 -3.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.789 -4.918 -0.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.414 -7.410 -0.949 1.00 0.00 H new ATOM 0 HH2 TRP A 16 3.533 -5.832 0.531 1.00 0.00 H new ATOM 216 N VAL A 17 7.106 -8.592 -8.349 1.00 0.00 N ATOM 217 CA VAL A 17 7.190 -9.516 -9.468 1.00 0.00 C ATOM 218 C VAL A 17 7.262 -10.949 -8.936 1.00 0.00 C ATOM 219 O VAL A 17 8.193 -11.301 -8.213 1.00 0.00 O ATOM 220 CB VAL A 17 8.378 -9.149 -10.360 1.00 0.00 C ATOM 221 CG1 VAL A 17 9.703 -9.498 -9.681 1.00 0.00 C ATOM 222 CG2 VAL A 17 8.267 -9.829 -11.727 1.00 0.00 C ATOM 0 H VAL A 17 7.943 -8.029 -8.197 1.00 0.00 H new ATOM 0 HA VAL A 17 6.298 -9.445 -10.091 1.00 0.00 H new ATOM 0 HB VAL A 17 8.357 -8.071 -10.518 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.530 -9.227 -10.337 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.787 -8.948 -8.744 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.737 -10.568 -9.478 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.123 -9.552 -12.342 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.250 -10.911 -11.595 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.348 -9.509 -12.219 1.00 0.00 H new ATOM 232 N HIS A 18 6.267 -11.737 -9.316 1.00 0.00 N ATOM 233 CA HIS A 18 6.204 -13.124 -8.887 1.00 0.00 C ATOM 234 C HIS A 18 6.381 -14.044 -10.096 1.00 0.00 C ATOM 235 O HIS A 18 6.855 -15.170 -9.959 1.00 0.00 O ATOM 236 CB HIS A 18 4.911 -13.396 -8.117 1.00 0.00 C ATOM 237 CG HIS A 18 4.605 -14.864 -7.931 1.00 0.00 C ATOM 238 ND1 HIS A 18 4.519 -15.878 -8.838 1.00 0.00 N flip ATOM 239 CD2 HIS A 18 4.346 -15.424 -6.692 1.00 0.00 C flip ATOM 240 CE1 HIS A 18 4.225 -16.998 -8.189 1.00 0.00 C flip ATOM 241 NE2 HIS A 18 4.115 -16.718 -6.858 1.00 0.00 N flip ATOM 0 H HIS A 18 5.497 -11.441 -9.917 1.00 0.00 H new ATOM 0 HA HIS A 18 7.020 -13.332 -8.195 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.977 -12.922 -7.138 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.081 -12.926 -8.644 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.334 -14.896 -5.750 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.094 -17.971 -8.640 1.00 0.00 H new ATOM 0 HE2 HIS A 18 3.894 -17.387 -6.121 1.00 0.00 H new ATOM 249 N GLN A 19 5.988 -13.529 -11.252 1.00 0.00 N ATOM 250 CA GLN A 19 6.097 -14.291 -12.485 1.00 0.00 C ATOM 251 C GLN A 19 6.623 -13.403 -13.613 1.00 0.00 C ATOM 252 O GLN A 19 6.536 -12.178 -13.537 1.00 0.00 O ATOM 253 CB GLN A 19 4.752 -14.917 -12.863 1.00 0.00 C ATOM 254 CG GLN A 19 4.608 -16.313 -12.254 1.00 0.00 C ATOM 255 CD GLN A 19 4.465 -17.375 -13.346 1.00 0.00 C ATOM 256 OE1 GLN A 19 5.271 -18.283 -13.474 1.00 0.00 O ATOM 257 NE2 GLN A 19 3.398 -17.212 -14.123 1.00 0.00 N ATOM 0 H GLN A 19 5.594 -12.594 -11.361 1.00 0.00 H new ATOM 0 HA GLN A 19 6.807 -15.102 -12.326 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.939 -14.279 -12.516 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.667 -14.979 -13.948 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.478 -16.536 -11.637 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.737 -16.340 -11.599 1.00 0.00 H new ATOM 0 HE21 GLN A 19 2.764 -16.430 -13.961 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.214 -17.869 -14.881 1.00 0.00 H new ATOM 266 N GLU A 20 7.160 -14.054 -14.635 1.00 0.00 N ATOM 267 CA GLU A 20 7.701 -13.338 -15.777 1.00 0.00 C ATOM 268 C GLU A 20 6.651 -12.389 -16.357 1.00 0.00 C ATOM 269 O GLU A 20 5.656 -12.834 -16.929 1.00 0.00 O ATOM 270 CB GLU A 20 8.210 -14.311 -16.843 1.00 0.00 C ATOM 271 CG GLU A 20 7.082 -15.218 -17.339 1.00 0.00 C ATOM 272 CD GLU A 20 7.586 -16.645 -17.566 1.00 0.00 C ATOM 273 OE1 GLU A 20 8.663 -17.008 -17.071 1.00 0.00 O ATOM 274 OE2 GLU A 20 6.815 -17.387 -18.287 1.00 0.00 O ATOM 0 H GLU A 20 7.232 -15.070 -14.695 1.00 0.00 H new ATOM 0 HA GLU A 20 8.550 -12.744 -15.439 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.628 -13.753 -17.681 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.016 -14.919 -16.431 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.271 -15.226 -16.611 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.673 -14.821 -18.268 1.00 0.00 H new ATOM 282 N GLY A 21 6.907 -11.100 -16.189 1.00 0.00 N ATOM 283 CA GLY A 21 5.995 -10.085 -16.689 1.00 0.00 C ATOM 284 C GLY A 21 4.731 -10.014 -15.830 1.00 0.00 C ATOM 285 O GLY A 21 3.687 -9.553 -16.291 1.00 0.00 O ATOM 0 H GLY A 21 7.733 -10.735 -15.714 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.492 -9.115 -16.693 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.726 -10.309 -17.721 1.00 0.00 H new ATOM 289 N ILE A 22 4.865 -10.478 -14.596 1.00 0.00 N ATOM 290 CA ILE A 22 3.746 -10.473 -13.669 1.00 0.00 C ATOM 291 C ILE A 22 4.171 -9.791 -12.366 1.00 0.00 C ATOM 292 O ILE A 22 5.307 -9.951 -11.921 1.00 0.00 O ATOM 293 CB ILE A 22 3.205 -11.890 -13.473 1.00 0.00 C ATOM 294 CG1 ILE A 22 2.219 -12.258 -14.584 1.00 0.00 C ATOM 295 CG2 ILE A 22 2.590 -12.055 -12.082 1.00 0.00 C ATOM 296 CD1 ILE A 22 2.946 -12.887 -15.775 1.00 0.00 C ATOM 0 H ILE A 22 5.731 -10.860 -14.217 1.00 0.00 H new ATOM 0 HA ILE A 22 2.917 -9.894 -14.077 1.00 0.00 H new ATOM 0 HB ILE A 22 4.040 -12.587 -13.539 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.474 -12.954 -14.199 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.683 -11.367 -14.910 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.213 -13.071 -11.969 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.349 -11.863 -11.324 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.769 -11.348 -11.961 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.223 -13.139 -16.551 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.673 -12.179 -16.173 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.461 -13.791 -15.451 1.00 0.00 H new ATOM 308 N TYR A 23 3.237 -9.047 -11.792 1.00 0.00 N ATOM 309 CA TYR A 23 3.501 -8.343 -10.549 1.00 0.00 C ATOM 310 C TYR A 23 2.312 -8.454 -9.592 1.00 0.00 C ATOM 311 O TYR A 23 1.179 -8.656 -10.026 1.00 0.00 O ATOM 312 CB TYR A 23 3.698 -6.874 -10.930 1.00 0.00 C ATOM 313 CG TYR A 23 5.148 -6.502 -11.249 1.00 0.00 C ATOM 314 CD1 TYR A 23 6.044 -6.279 -10.223 1.00 0.00 C ATOM 315 CD2 TYR A 23 5.559 -6.391 -12.561 1.00 0.00 C ATOM 316 CE1 TYR A 23 7.409 -5.931 -10.523 1.00 0.00 C ATOM 317 CE2 TYR A 23 6.923 -6.042 -12.861 1.00 0.00 C ATOM 318 CZ TYR A 23 7.781 -5.829 -11.827 1.00 0.00 C ATOM 319 OH TYR A 23 9.070 -5.499 -12.109 1.00 0.00 O ATOM 0 H TYR A 23 2.297 -8.917 -12.165 1.00 0.00 H new ATOM 0 HA TYR A 23 4.371 -8.765 -10.047 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.077 -6.648 -11.797 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.344 -6.247 -10.112 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.722 -6.365 -9.196 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.857 -6.566 -13.363 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.121 -5.755 -9.730 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.258 -5.951 -13.884 1.00 0.00 H new ATOM 0 HH TYR A 23 9.593 -5.486 -11.280 1.00 0.00 H new ATOM 329 N ARG A 24 2.611 -8.316 -8.309 1.00 0.00 N ATOM 330 CA ARG A 24 1.581 -8.398 -7.288 1.00 0.00 C ATOM 331 C ARG A 24 1.347 -7.023 -6.658 1.00 0.00 C ATOM 332 O ARG A 24 2.294 -6.355 -6.247 1.00 0.00 O ATOM 333 CB ARG A 24 1.968 -9.394 -6.192 1.00 0.00 C ATOM 334 CG ARG A 24 0.803 -10.330 -5.865 1.00 0.00 C ATOM 335 CD ARG A 24 1.302 -11.752 -5.598 1.00 0.00 C ATOM 336 NE ARG A 24 2.127 -11.776 -4.370 1.00 0.00 N ATOM 337 CZ ARG A 24 2.402 -12.894 -3.664 1.00 0.00 C ATOM 338 NH1 ARG A 24 1.918 -14.090 -4.060 1.00 0.00 N ATOM 339 NH2 ARG A 24 3.152 -12.800 -2.582 1.00 0.00 N ATOM 0 H ARG A 24 3.552 -8.148 -7.953 1.00 0.00 H new ATOM 0 HA ARG A 24 0.665 -8.742 -7.769 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.829 -9.979 -6.515 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.268 -8.854 -5.294 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.267 -9.959 -4.991 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.095 -10.339 -6.694 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.455 -12.429 -5.490 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.887 -12.106 -6.446 1.00 0.00 H new ATOM 0 HE ARG A 24 2.512 -10.893 -4.036 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.340 -14.154 -4.898 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.130 -14.930 -3.521 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.515 -11.892 -2.290 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.369 -13.635 -2.038 1.00 0.00 H new ATOM 352 N ASP A 25 0.079 -6.641 -6.603 1.00 0.00 N ATOM 353 CA ASP A 25 -0.292 -5.359 -6.029 1.00 0.00 C ATOM 354 C ASP A 25 -0.326 -5.478 -4.504 1.00 0.00 C ATOM 355 O ASP A 25 -0.112 -6.558 -3.957 1.00 0.00 O ATOM 356 CB ASP A 25 -1.681 -4.925 -6.501 1.00 0.00 C ATOM 357 CG ASP A 25 -1.960 -3.425 -6.398 1.00 0.00 C ATOM 358 OD1 ASP A 25 -2.968 -2.925 -6.918 1.00 0.00 O ATOM 359 OD2 ASP A 25 -1.078 -2.750 -5.741 1.00 0.00 O ATOM 0 H ASP A 25 -0.704 -7.197 -6.947 1.00 0.00 H new ATOM 0 HA ASP A 25 0.444 -4.621 -6.349 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.808 -5.232 -7.539 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.430 -5.459 -5.917 1.00 0.00 H new ATOM 365 N GLU A 26 -0.595 -4.351 -3.861 1.00 0.00 N ATOM 366 CA GLU A 26 -0.660 -4.316 -2.410 1.00 0.00 C ATOM 367 C GLU A 26 -2.092 -4.572 -1.936 1.00 0.00 C ATOM 368 O GLU A 26 -2.452 -4.216 -0.816 1.00 0.00 O ATOM 369 CB GLU A 26 -0.135 -2.984 -1.870 1.00 0.00 C ATOM 370 CG GLU A 26 -1.200 -1.891 -1.977 1.00 0.00 C ATOM 371 CD GLU A 26 -0.634 -0.639 -2.652 1.00 0.00 C ATOM 372 OE1 GLU A 26 0.257 -0.744 -3.507 1.00 0.00 O ATOM 373 OE2 GLU A 26 -1.155 0.475 -2.260 1.00 0.00 O ATOM 0 H GLU A 26 -0.770 -3.456 -4.318 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.021 -5.108 -2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.166 -3.103 -0.829 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.754 -2.687 -2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.052 -2.262 -2.547 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.568 -1.638 -0.983 1.00 0.00 H new ATOM 381 N TYR A 27 -2.870 -5.190 -2.813 1.00 0.00 N ATOM 382 CA TYR A 27 -4.253 -5.500 -2.498 1.00 0.00 C ATOM 383 C TYR A 27 -4.670 -6.835 -3.118 1.00 0.00 C ATOM 384 O TYR A 27 -5.843 -7.038 -3.432 1.00 0.00 O ATOM 385 CB TYR A 27 -5.090 -4.380 -3.119 1.00 0.00 C ATOM 386 CG TYR A 27 -5.315 -3.184 -2.190 1.00 0.00 C ATOM 387 CD1 TYR A 27 -6.052 -3.337 -1.035 1.00 0.00 C ATOM 388 CD2 TYR A 27 -4.780 -1.953 -2.509 1.00 0.00 C ATOM 389 CE1 TYR A 27 -6.264 -2.212 -0.161 1.00 0.00 C ATOM 390 CE2 TYR A 27 -4.991 -0.828 -1.637 1.00 0.00 C ATOM 391 CZ TYR A 27 -5.723 -1.013 -0.505 1.00 0.00 C ATOM 392 OH TYR A 27 -5.924 0.050 0.320 1.00 0.00 O ATOM 0 H TYR A 27 -2.568 -5.484 -3.742 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.392 -5.577 -1.420 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.598 -4.034 -4.028 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.058 -4.785 -3.415 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.471 -4.301 -0.785 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.202 -1.834 -3.414 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.839 -2.318 0.747 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.578 0.141 -1.876 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.479 0.841 -0.051 1.00 0.00 H new ATOM 402 N GLN A 28 -3.689 -7.710 -3.276 1.00 0.00 N ATOM 403 CA GLN A 28 -3.939 -9.020 -3.854 1.00 0.00 C ATOM 404 C GLN A 28 -4.413 -8.879 -5.303 1.00 0.00 C ATOM 405 O GLN A 28 -5.381 -9.521 -5.708 1.00 0.00 O ATOM 406 CB GLN A 28 -4.954 -9.803 -3.019 1.00 0.00 C ATOM 407 CG GLN A 28 -4.317 -10.327 -1.732 1.00 0.00 C ATOM 408 CD GLN A 28 -4.476 -9.319 -0.591 1.00 0.00 C ATOM 409 OE1 GLN A 28 -5.572 -8.939 -0.213 1.00 0.00 O ATOM 410 NE2 GLN A 28 -3.324 -8.910 -0.067 1.00 0.00 N ATOM 0 H GLN A 28 -2.718 -7.538 -3.014 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.005 -9.582 -3.851 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.801 -9.162 -2.775 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.343 -10.637 -3.602 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.779 -11.274 -1.453 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.259 -10.527 -1.901 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.442 -9.269 -0.432 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.323 -8.237 0.700 1.00 0.00 H new ATOM 419 N ARG A 29 -3.708 -8.035 -6.042 1.00 0.00 N ATOM 420 CA ARG A 29 -4.044 -7.802 -7.436 1.00 0.00 C ATOM 421 C ARG A 29 -2.824 -8.045 -8.325 1.00 0.00 C ATOM 422 O ARG A 29 -1.835 -7.318 -8.241 1.00 0.00 O ATOM 423 CB ARG A 29 -4.546 -6.372 -7.650 1.00 0.00 C ATOM 424 CG ARG A 29 -5.718 -6.057 -6.720 1.00 0.00 C ATOM 425 CD ARG A 29 -7.038 -6.015 -7.495 1.00 0.00 C ATOM 426 NE ARG A 29 -7.733 -7.316 -7.380 1.00 0.00 N ATOM 427 CZ ARG A 29 -7.580 -8.336 -8.252 1.00 0.00 C ATOM 428 NH1 ARG A 29 -6.752 -8.214 -9.310 1.00 0.00 N ATOM 429 NH2 ARG A 29 -8.253 -9.454 -8.051 1.00 0.00 N ATOM 0 H ARG A 29 -2.906 -7.504 -5.702 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.838 -8.498 -7.706 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.734 -5.667 -7.469 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.855 -6.243 -8.687 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.777 -6.811 -5.935 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.550 -5.098 -6.229 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.673 -5.219 -7.106 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.847 -5.787 -8.544 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.367 -7.451 -6.593 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.236 -7.347 -9.456 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.642 -8.989 -9.964 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.876 -9.537 -7.248 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.150 -10.235 -8.699 1.00 0.00 H new ATOM 442 N THR A 30 -2.932 -9.070 -9.157 1.00 0.00 N ATOM 443 CA THR A 30 -1.848 -9.419 -10.060 1.00 0.00 C ATOM 444 C THR A 30 -1.781 -8.427 -11.222 1.00 0.00 C ATOM 445 O THR A 30 -2.813 -7.973 -11.716 1.00 0.00 O ATOM 446 CB THR A 30 -2.054 -10.867 -10.508 1.00 0.00 C ATOM 447 OG1 THR A 30 -3.455 -10.960 -10.751 1.00 0.00 O ATOM 448 CG2 THR A 30 -1.805 -11.871 -9.381 1.00 0.00 C ATOM 0 H THR A 30 -3.754 -9.670 -9.225 1.00 0.00 H new ATOM 0 HA THR A 30 -0.881 -9.352 -9.561 1.00 0.00 H new ATOM 0 HB THR A 30 -1.388 -11.086 -11.343 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.686 -10.426 -11.540 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.965 -12.883 -9.753 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.779 -11.773 -9.026 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.493 -11.674 -8.559 1.00 0.00 H new ATOM 456 N TRP A 31 -0.557 -8.120 -11.627 1.00 0.00 N ATOM 457 CA TRP A 31 -0.343 -7.190 -12.722 1.00 0.00 C ATOM 458 C TRP A 31 0.461 -7.913 -13.805 1.00 0.00 C ATOM 459 O TRP A 31 1.199 -8.852 -13.512 1.00 0.00 O ATOM 460 CB TRP A 31 0.335 -5.909 -12.230 1.00 0.00 C ATOM 461 CG TRP A 31 -0.594 -4.974 -11.453 1.00 0.00 C ATOM 462 CD1 TRP A 31 -1.035 -5.108 -10.195 1.00 0.00 C ATOM 463 CD2 TRP A 31 -1.180 -3.746 -11.937 1.00 0.00 C ATOM 464 NE1 TRP A 31 -1.860 -4.062 -9.834 1.00 0.00 N ATOM 465 CE2 TRP A 31 -1.950 -3.208 -10.927 1.00 0.00 C ATOM 466 CE3 TRP A 31 -1.062 -3.113 -13.187 1.00 0.00 C ATOM 467 CZ2 TRP A 31 -2.664 -2.010 -11.063 1.00 0.00 C ATOM 468 CZ3 TRP A 31 -1.781 -1.918 -13.306 1.00 0.00 C ATOM 469 CH2 TRP A 31 -2.561 -1.362 -12.300 1.00 0.00 C ATOM 0 H TRP A 31 0.296 -8.499 -11.216 1.00 0.00 H new ATOM 0 HA TRP A 31 -1.294 -6.871 -13.148 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.179 -6.177 -11.594 1.00 0.00 H new ATOM 0 HB3 TRP A 31 0.740 -5.372 -13.088 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -0.777 -5.931 -9.545 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.319 -3.938 -8.932 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.464 -3.517 -13.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -3.261 -1.608 -10.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.725 -1.391 -14.247 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.086 -0.434 -12.471 1.00 0.00 H new ATOM 480 N VAL A 32 0.290 -7.448 -15.034 1.00 0.00 N ATOM 481 CA VAL A 32 0.991 -8.038 -16.161 1.00 0.00 C ATOM 482 C VAL A 32 1.931 -6.997 -16.773 1.00 0.00 C ATOM 483 O VAL A 32 1.495 -6.129 -17.528 1.00 0.00 O ATOM 484 CB VAL A 32 -0.016 -8.599 -17.169 1.00 0.00 C ATOM 485 CG1 VAL A 32 0.534 -8.522 -18.594 1.00 0.00 C ATOM 486 CG2 VAL A 32 -0.410 -10.032 -16.810 1.00 0.00 C ATOM 0 H VAL A 32 -0.324 -6.669 -15.274 1.00 0.00 H new ATOM 0 HA VAL A 32 1.604 -8.877 -15.832 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.914 -7.983 -17.123 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.201 -8.927 -19.290 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.741 -7.482 -18.849 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.455 -9.102 -18.661 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.126 -10.407 -17.542 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.477 -10.665 -16.813 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.863 -10.047 -15.819 1.00 0.00 H new ATOM 496 N ALA A 33 3.204 -7.118 -16.424 1.00 0.00 N ATOM 497 CA ALA A 33 4.209 -6.200 -16.930 1.00 0.00 C ATOM 498 C ALA A 33 4.724 -6.706 -18.279 1.00 0.00 C ATOM 499 O ALA A 33 5.512 -7.649 -18.333 1.00 0.00 O ATOM 500 CB ALA A 33 5.328 -6.049 -15.898 1.00 0.00 C ATOM 0 H ALA A 33 3.562 -7.838 -15.797 1.00 0.00 H new ATOM 0 HA ALA A 33 3.779 -5.212 -17.092 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.083 -5.360 -16.278 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.915 -5.658 -14.968 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.785 -7.021 -15.712 1.00 0.00 H new ATOM 506 N VAL A 34 4.257 -6.057 -19.336 1.00 0.00 N ATOM 507 CA VAL A 34 4.661 -6.431 -20.681 1.00 0.00 C ATOM 508 C VAL A 34 5.857 -5.575 -21.105 1.00 0.00 C ATOM 509 O VAL A 34 5.688 -4.550 -21.765 1.00 0.00 O ATOM 510 CB VAL A 34 3.471 -6.311 -21.637 1.00 0.00 C ATOM 511 CG1 VAL A 34 3.878 -6.680 -23.065 1.00 0.00 C ATOM 512 CG2 VAL A 34 2.298 -7.169 -21.162 1.00 0.00 C ATOM 0 H VAL A 34 3.603 -5.275 -19.288 1.00 0.00 H new ATOM 0 HA VAL A 34 4.980 -7.473 -20.709 1.00 0.00 H new ATOM 0 HB VAL A 34 3.145 -5.271 -21.639 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.015 -6.587 -23.725 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.668 -6.009 -23.403 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.241 -7.707 -23.086 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.466 -7.066 -21.859 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.606 -8.214 -21.117 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.985 -6.840 -20.171 1.00 0.00 H new ATOM 522 N VAL A 35 7.037 -6.027 -20.709 1.00 0.00 N ATOM 523 CA VAL A 35 8.261 -5.316 -21.038 1.00 0.00 C ATOM 524 C VAL A 35 8.251 -4.956 -22.525 1.00 0.00 C ATOM 525 O VAL A 35 8.359 -5.832 -23.381 1.00 0.00 O ATOM 526 CB VAL A 35 9.477 -6.150 -20.633 1.00 0.00 C ATOM 527 CG1 VAL A 35 9.279 -7.622 -21.002 1.00 0.00 C ATOM 528 CG2 VAL A 35 10.757 -5.595 -21.260 1.00 0.00 C ATOM 0 H VAL A 35 7.172 -6.878 -20.163 1.00 0.00 H new ATOM 0 HA VAL A 35 8.323 -4.383 -20.477 1.00 0.00 H new ATOM 0 HB VAL A 35 9.581 -6.087 -19.550 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.158 -8.193 -20.703 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.401 -8.011 -20.487 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.137 -7.711 -22.079 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.606 -6.207 -20.956 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.668 -5.613 -22.346 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.911 -4.569 -20.926 1.00 0.00 H new ATOM 538 N GLU A 36 8.121 -3.663 -22.788 1.00 0.00 N ATOM 539 CA GLU A 36 8.095 -3.176 -24.157 1.00 0.00 C ATOM 540 C GLU A 36 9.273 -2.232 -24.406 1.00 0.00 C ATOM 541 O GLU A 36 9.173 -1.031 -24.159 1.00 0.00 O ATOM 542 CB GLU A 36 6.765 -2.489 -24.469 1.00 0.00 C ATOM 543 CG GLU A 36 6.158 -3.032 -25.764 1.00 0.00 C ATOM 544 CD GLU A 36 6.891 -2.479 -26.988 1.00 0.00 C ATOM 545 OE1 GLU A 36 8.131 -2.462 -27.013 1.00 0.00 O ATOM 546 OE2 GLU A 36 6.127 -2.057 -27.937 1.00 0.00 O ATOM 0 H GLU A 36 8.033 -2.938 -22.076 1.00 0.00 H new ATOM 0 HA GLU A 36 8.191 -4.029 -24.828 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.069 -2.644 -23.644 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.919 -1.414 -24.558 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.210 -4.121 -25.766 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.103 -2.764 -25.816 1.00 0.00 H new ATOM 611 N PHE A 41 14.254 3.471 -25.158 1.00 0.00 N ATOM 612 CA PHE A 41 13.926 3.524 -23.744 1.00 0.00 C ATOM 613 C PHE A 41 13.402 2.174 -23.251 1.00 0.00 C ATOM 614 O PHE A 41 13.307 1.222 -24.024 1.00 0.00 O ATOM 615 CB PHE A 41 12.825 4.575 -23.580 1.00 0.00 C ATOM 616 CG PHE A 41 13.349 6.003 -23.412 1.00 0.00 C ATOM 617 CD1 PHE A 41 14.262 6.283 -22.444 1.00 0.00 C ATOM 618 CD2 PHE A 41 12.899 6.993 -24.229 1.00 0.00 C ATOM 619 CE1 PHE A 41 14.748 7.609 -22.289 1.00 0.00 C ATOM 620 CE2 PHE A 41 13.383 8.318 -24.074 1.00 0.00 C ATOM 621 CZ PHE A 41 14.298 8.598 -23.106 1.00 0.00 C ATOM 0 HA PHE A 41 14.816 3.771 -23.165 1.00 0.00 H new ATOM 0 HB2 PHE A 41 12.170 4.539 -24.450 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.217 4.317 -22.713 1.00 0.00 H new ATOM 0 HD1 PHE A 41 14.618 5.498 -21.793 1.00 0.00 H new ATOM 0 HD2 PHE A 41 12.173 6.770 -24.997 1.00 0.00 H new ATOM 0 HE1 PHE A 41 15.475 7.831 -21.522 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.026 9.103 -24.723 1.00 0.00 H new ATOM 0 HZ PHE A 41 14.667 9.606 -22.987 1.00 0.00 H new ATOM 631 N LEU A 42 13.078 2.134 -21.967 1.00 0.00 N ATOM 632 CA LEU A 42 12.567 0.917 -21.361 1.00 0.00 C ATOM 633 C LEU A 42 11.159 1.172 -20.821 1.00 0.00 C ATOM 634 O LEU A 42 10.978 1.973 -19.906 1.00 0.00 O ATOM 635 CB LEU A 42 13.545 0.391 -20.307 1.00 0.00 C ATOM 636 CG LEU A 42 14.752 -0.384 -20.838 1.00 0.00 C ATOM 637 CD1 LEU A 42 14.310 -1.535 -21.744 1.00 0.00 C ATOM 638 CD2 LEU A 42 15.737 0.553 -21.542 1.00 0.00 C ATOM 0 H LEU A 42 13.160 2.926 -21.329 1.00 0.00 H new ATOM 0 HA LEU A 42 12.483 0.127 -22.107 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.910 1.237 -19.724 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.996 -0.255 -19.622 1.00 0.00 H new ATOM 0 HG LEU A 42 15.275 -0.825 -19.990 1.00 0.00 H new ATOM 0 HD11 LEU A 42 15.188 -2.069 -22.108 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.676 -2.219 -21.180 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.751 -1.137 -22.591 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.586 -0.022 -21.910 1.00 0.00 H new ATOM 0 HD22 LEU A 42 15.239 1.042 -22.379 1.00 0.00 H new ATOM 0 HD23 LEU A 42 16.088 1.308 -20.838 1.00 0.00 H new ATOM 650 N ARG A 43 10.198 0.476 -21.410 1.00 0.00 N ATOM 651 CA ARG A 43 8.811 0.618 -21.000 1.00 0.00 C ATOM 652 C ARG A 43 8.254 -0.731 -20.540 1.00 0.00 C ATOM 653 O ARG A 43 8.374 -1.730 -21.248 1.00 0.00 O ATOM 654 CB ARG A 43 7.950 1.155 -22.145 1.00 0.00 C ATOM 655 CG ARG A 43 6.486 1.276 -21.719 1.00 0.00 C ATOM 656 CD ARG A 43 5.700 2.149 -22.699 1.00 0.00 C ATOM 657 NE ARG A 43 5.580 1.464 -24.004 1.00 0.00 N ATOM 658 CZ ARG A 43 5.284 2.091 -25.163 1.00 0.00 C ATOM 659 NH1 ARG A 43 5.076 3.424 -25.188 1.00 0.00 N ATOM 660 NH2 ARG A 43 5.202 1.379 -26.272 1.00 0.00 N ATOM 0 H ARG A 43 10.352 -0.188 -22.168 1.00 0.00 H new ATOM 0 HA ARG A 43 8.780 1.329 -20.174 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.323 2.130 -22.459 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.028 0.491 -23.006 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.035 0.285 -21.667 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.429 1.704 -20.718 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.709 2.359 -22.297 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.202 3.108 -22.827 1.00 0.00 H new ATOM 0 HE ARG A 43 5.730 0.455 -24.030 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.142 3.967 -24.327 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.853 3.889 -26.068 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.361 0.372 -26.244 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.979 1.836 -27.156 1.00 0.00 H new ATOM 673 N ALA A 44 7.657 -0.716 -19.357 1.00 0.00 N ATOM 674 CA ALA A 44 7.079 -1.925 -18.796 1.00 0.00 C ATOM 675 C ALA A 44 5.576 -1.721 -18.595 1.00 0.00 C ATOM 676 O ALA A 44 5.147 -1.208 -17.563 1.00 0.00 O ATOM 677 CB ALA A 44 7.798 -2.277 -17.493 1.00 0.00 C ATOM 0 H ALA A 44 7.561 0.114 -18.772 1.00 0.00 H new ATOM 0 HA ALA A 44 7.210 -2.765 -19.478 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.365 -3.184 -17.072 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.857 -2.440 -17.694 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.686 -1.458 -16.783 1.00 0.00 H new ATOM 683 N ARG A 45 4.816 -2.133 -19.599 1.00 0.00 N ATOM 684 CA ARG A 45 3.370 -2.003 -19.546 1.00 0.00 C ATOM 685 C ARG A 45 2.788 -2.963 -18.507 1.00 0.00 C ATOM 686 O ARG A 45 2.752 -4.173 -18.726 1.00 0.00 O ATOM 687 CB ARG A 45 2.740 -2.295 -20.909 1.00 0.00 C ATOM 688 CG ARG A 45 1.243 -1.983 -20.900 1.00 0.00 C ATOM 689 CD ARG A 45 0.442 -3.120 -21.538 1.00 0.00 C ATOM 690 NE ARG A 45 1.147 -3.626 -22.736 1.00 0.00 N ATOM 691 CZ ARG A 45 0.629 -4.528 -23.596 1.00 0.00 C ATOM 692 NH1 ARG A 45 -0.609 -5.031 -23.397 1.00 0.00 N ATOM 693 NH2 ARG A 45 1.348 -4.910 -24.635 1.00 0.00 N ATOM 0 H ARG A 45 5.175 -2.557 -20.454 1.00 0.00 H new ATOM 0 HA ARG A 45 3.140 -0.975 -19.265 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.234 -1.700 -21.677 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.895 -3.342 -21.168 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.907 -1.827 -19.875 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.058 -1.055 -21.441 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.305 -3.927 -20.819 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.552 -2.766 -21.813 1.00 0.00 H new ATOM 0 HE ARG A 45 2.084 -3.271 -22.924 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.159 -4.729 -22.593 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.994 -5.712 -24.051 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.281 -4.524 -24.779 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.970 -5.591 -25.294 1.00 0.00 H new ATOM 706 N VAL A 46 2.347 -2.388 -17.398 1.00 0.00 N ATOM 707 CA VAL A 46 1.769 -3.177 -16.324 1.00 0.00 C ATOM 708 C VAL A 46 0.245 -3.186 -16.465 1.00 0.00 C ATOM 709 O VAL A 46 -0.404 -2.157 -16.284 1.00 0.00 O ATOM 710 CB VAL A 46 2.240 -2.644 -14.970 1.00 0.00 C ATOM 711 CG1 VAL A 46 2.285 -3.761 -13.925 1.00 0.00 C ATOM 712 CG2 VAL A 46 3.602 -1.955 -15.095 1.00 0.00 C ATOM 0 H VAL A 46 2.378 -1.384 -17.220 1.00 0.00 H new ATOM 0 HA VAL A 46 2.107 -4.211 -16.387 1.00 0.00 H new ATOM 0 HB VAL A 46 1.517 -1.900 -14.634 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.623 -3.354 -12.972 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.289 -4.187 -13.805 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.975 -4.538 -14.253 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.914 -1.585 -14.118 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.338 -2.669 -15.465 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.525 -1.120 -15.791 1.00 0.00 H new ATOM 722 N GLN A 47 -0.280 -4.359 -16.789 1.00 0.00 N ATOM 723 CA GLN A 47 -1.715 -4.515 -16.957 1.00 0.00 C ATOM 724 C GLN A 47 -2.303 -5.307 -15.786 1.00 0.00 C ATOM 725 O GLN A 47 -1.797 -6.371 -15.437 1.00 0.00 O ATOM 726 CB GLN A 47 -2.041 -5.186 -18.292 1.00 0.00 C ATOM 727 CG GLN A 47 -3.549 -5.387 -18.450 1.00 0.00 C ATOM 728 CD GLN A 47 -4.087 -4.585 -19.638 1.00 0.00 C ATOM 729 OE1 GLN A 47 -4.467 -3.432 -19.520 1.00 0.00 O ATOM 730 NE2 GLN A 47 -4.098 -5.258 -20.785 1.00 0.00 N ATOM 0 H GLN A 47 0.262 -5.210 -16.940 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.170 -3.525 -16.966 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.664 -4.575 -19.112 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.534 -6.149 -18.353 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.766 -6.446 -18.593 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.058 -5.078 -17.537 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.765 -6.222 -20.814 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.439 -4.810 -21.636 1.00 0.00 H new ATOM 739 N GLN A 48 -3.363 -4.756 -15.214 1.00 0.00 N ATOM 740 CA GLN A 48 -4.026 -5.398 -14.092 1.00 0.00 C ATOM 741 C GLN A 48 -5.092 -6.374 -14.592 1.00 0.00 C ATOM 742 O GLN A 48 -6.019 -5.978 -15.298 1.00 0.00 O ATOM 743 CB GLN A 48 -4.633 -4.359 -13.147 1.00 0.00 C ATOM 744 CG GLN A 48 -5.437 -5.034 -12.034 1.00 0.00 C ATOM 745 CD GLN A 48 -4.668 -5.013 -10.712 1.00 0.00 C ATOM 746 OE1 GLN A 48 -4.941 -4.231 -9.816 1.00 0.00 O ATOM 747 NE2 GLN A 48 -3.693 -5.915 -10.639 1.00 0.00 N ATOM 0 H GLN A 48 -3.779 -3.872 -15.507 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.282 -5.962 -13.530 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.840 -3.752 -12.711 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.279 -3.684 -13.709 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.393 -4.525 -11.911 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.658 -6.064 -12.314 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.517 -6.540 -11.425 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.122 -5.982 -9.797 1.00 0.00 H new ATOM 756 N ILE A 49 -4.927 -7.630 -14.206 1.00 0.00 N ATOM 757 CA ILE A 49 -5.865 -8.666 -14.607 1.00 0.00 C ATOM 758 C ILE A 49 -5.915 -9.748 -13.526 1.00 0.00 C ATOM 759 O ILE A 49 -5.034 -9.818 -12.671 1.00 0.00 O ATOM 760 CB ILE A 49 -5.510 -9.200 -15.997 1.00 0.00 C ATOM 761 CG1 ILE A 49 -4.128 -9.856 -15.995 1.00 0.00 C ATOM 762 CG2 ILE A 49 -5.622 -8.099 -17.052 1.00 0.00 C ATOM 763 CD1 ILE A 49 -3.025 -8.808 -16.159 1.00 0.00 C ATOM 0 H ILE A 49 -4.158 -7.955 -13.620 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.871 -8.257 -14.695 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.232 -9.973 -16.262 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.981 -10.401 -15.063 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.066 -10.585 -16.803 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.365 -8.505 -18.030 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.643 -7.719 -17.074 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.938 -7.287 -16.805 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.052 -9.300 -16.154 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.161 -8.281 -17.104 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.075 -8.095 -15.336 1.00 0.00 H new ATOM 775 N GLN A 50 -6.955 -10.565 -13.601 1.00 0.00 N ATOM 776 CA GLN A 50 -7.132 -11.640 -12.640 1.00 0.00 C ATOM 777 C GLN A 50 -6.580 -12.952 -13.202 1.00 0.00 C ATOM 778 O GLN A 50 -7.285 -13.677 -13.901 1.00 0.00 O ATOM 779 CB GLN A 50 -8.604 -11.789 -12.248 1.00 0.00 C ATOM 780 CG GLN A 50 -9.499 -11.839 -13.487 1.00 0.00 C ATOM 781 CD GLN A 50 -10.303 -10.546 -13.636 1.00 0.00 C ATOM 782 OE1 GLN A 50 -9.617 -9.446 -13.335 1.00 0.00 O flip ATOM 783 NE2 GLN A 50 -11.466 -10.547 -14.001 1.00 0.00 N flip ATOM 0 H GLN A 50 -7.684 -10.504 -14.312 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.573 -11.389 -11.738 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.738 -12.698 -11.662 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.901 -10.954 -11.614 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.887 -11.995 -14.376 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.179 -12.688 -13.415 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.932 -11.428 -14.216 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -11.973 -9.666 -14.091 1.00 0.00 H new ATOM 792 N VAL A 51 -5.323 -13.216 -12.876 1.00 0.00 N ATOM 793 CA VAL A 51 -4.667 -14.427 -13.340 1.00 0.00 C ATOM 794 C VAL A 51 -3.876 -15.047 -12.187 1.00 0.00 C ATOM 795 O VAL A 51 -3.248 -14.333 -11.406 1.00 0.00 O ATOM 796 CB VAL A 51 -3.801 -14.117 -14.562 1.00 0.00 C ATOM 797 CG1 VAL A 51 -4.610 -13.387 -15.637 1.00 0.00 C ATOM 798 CG2 VAL A 51 -2.563 -13.311 -14.166 1.00 0.00 C ATOM 0 H VAL A 51 -4.741 -12.612 -12.296 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.405 -15.163 -13.660 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.464 -15.064 -14.982 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.971 -13.179 -16.495 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.446 -14.012 -15.951 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.991 -12.449 -15.232 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.964 -13.104 -15.053 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.872 -12.371 -13.709 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.969 -13.883 -13.453 1.00 0.00 H new ATOM 998 N SER A 65 15.818 -8.885 -17.247 1.00 0.00 N ATOM 999 CA SER A 65 16.849 -8.166 -16.519 1.00 0.00 C ATOM 1000 C SER A 65 16.653 -6.658 -16.684 1.00 0.00 C ATOM 1001 O SER A 65 17.622 -5.911 -16.805 1.00 0.00 O ATOM 1002 CB SER A 65 18.245 -8.575 -16.994 1.00 0.00 C ATOM 1003 OG SER A 65 18.664 -7.822 -18.129 1.00 0.00 O ATOM 0 HA SER A 65 16.764 -8.423 -15.463 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.959 -8.436 -16.183 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.247 -9.636 -17.242 1.00 0.00 H new ATOM 0 HG SER A 65 18.729 -6.875 -17.887 1.00 0.00 H new ATOM 1009 N GLN A 66 15.390 -6.254 -16.683 1.00 0.00 N ATOM 1010 CA GLN A 66 15.054 -4.848 -16.830 1.00 0.00 C ATOM 1011 C GLN A 66 14.158 -4.394 -15.675 1.00 0.00 C ATOM 1012 O GLN A 66 14.545 -3.531 -14.888 1.00 0.00 O ATOM 1013 CB GLN A 66 14.384 -4.583 -18.180 1.00 0.00 C ATOM 1014 CG GLN A 66 15.414 -4.586 -19.312 1.00 0.00 C ATOM 1015 CD GLN A 66 14.998 -5.546 -20.428 1.00 0.00 C ATOM 1016 OE1 GLN A 66 13.827 -5.796 -20.664 1.00 0.00 O ATOM 1017 NE2 GLN A 66 16.020 -6.069 -21.100 1.00 0.00 N ATOM 0 H GLN A 66 14.588 -6.876 -16.583 1.00 0.00 H new ATOM 0 HA GLN A 66 15.976 -4.268 -16.799 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.627 -5.344 -18.370 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.870 -3.622 -18.153 1.00 0.00 H new ATOM 0 HG2 GLN A 66 15.520 -3.579 -19.715 1.00 0.00 H new ATOM 0 HG3 GLN A 66 16.389 -4.878 -18.921 1.00 0.00 H new ATOM 0 HE21 GLN A 66 16.977 -5.817 -20.851 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.847 -6.722 -21.864 1.00 0.00 H new ATOM 1026 N LEU A 67 12.980 -4.995 -15.611 1.00 0.00 N ATOM 1027 CA LEU A 67 12.026 -4.662 -14.566 1.00 0.00 C ATOM 1028 C LEU A 67 12.599 -5.072 -13.208 1.00 0.00 C ATOM 1029 O LEU A 67 13.230 -6.121 -13.088 1.00 0.00 O ATOM 1030 CB LEU A 67 10.661 -5.282 -14.870 1.00 0.00 C ATOM 1031 CG LEU A 67 9.935 -4.736 -16.101 1.00 0.00 C ATOM 1032 CD1 LEU A 67 10.813 -4.845 -17.349 1.00 0.00 C ATOM 1033 CD2 LEU A 67 8.581 -5.423 -16.289 1.00 0.00 C ATOM 0 H LEU A 67 12.664 -5.711 -16.265 1.00 0.00 H new ATOM 0 HA LEU A 67 11.861 -3.585 -14.530 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.793 -6.357 -14.997 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.018 -5.140 -14.001 1.00 0.00 H new ATOM 0 HG LEU A 67 9.738 -3.676 -15.939 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.273 -4.450 -18.209 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.728 -4.272 -17.201 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.064 -5.891 -17.527 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.086 -5.016 -17.171 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.732 -6.495 -16.419 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.959 -5.248 -15.411 1.00 0.00 H new ATOM 1045 N PRO A 68 12.354 -4.200 -12.194 1.00 0.00 N ATOM 1046 CA PRO A 68 12.838 -4.461 -10.848 1.00 0.00 C ATOM 1047 C PRO A 68 12.003 -5.546 -10.166 1.00 0.00 C ATOM 1048 O PRO A 68 10.907 -5.871 -10.623 1.00 0.00 O ATOM 1049 CB PRO A 68 12.766 -3.119 -10.138 1.00 0.00 C ATOM 1050 CG PRO A 68 11.815 -2.264 -10.957 1.00 0.00 C ATOM 1051 CD PRO A 68 11.611 -2.948 -12.300 1.00 0.00 C ATOM 0 HA PRO A 68 13.856 -4.849 -10.834 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.404 -3.237 -9.117 1.00 0.00 H new ATOM 0 HB3 PRO A 68 13.751 -2.657 -10.076 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.863 -2.149 -10.439 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.225 -1.264 -11.097 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.554 -3.130 -12.495 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.985 -2.333 -13.119 1.00 0.00 H new ATOM 1059 N LEU A 69 12.551 -6.076 -9.082 1.00 0.00 N ATOM 1060 CA LEU A 69 11.869 -7.117 -8.332 1.00 0.00 C ATOM 1061 C LEU A 69 10.687 -6.506 -7.578 1.00 0.00 C ATOM 1062 O LEU A 69 9.782 -7.221 -7.150 1.00 0.00 O ATOM 1063 CB LEU A 69 12.856 -7.860 -7.429 1.00 0.00 C ATOM 1064 CG LEU A 69 12.804 -9.388 -7.492 1.00 0.00 C ATOM 1065 CD1 LEU A 69 11.449 -9.910 -7.010 1.00 0.00 C ATOM 1066 CD2 LEU A 69 13.144 -9.891 -8.896 1.00 0.00 C ATOM 0 H LEU A 69 13.459 -5.804 -8.705 1.00 0.00 H new ATOM 0 HA LEU A 69 11.462 -7.869 -9.008 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.865 -7.540 -7.687 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.677 -7.552 -6.399 1.00 0.00 H new ATOM 0 HG LEU A 69 13.562 -9.784 -6.816 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.438 -10.999 -7.065 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.284 -9.597 -5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.658 -9.507 -7.642 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.100 -10.980 -8.913 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.427 -9.487 -9.611 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.148 -9.564 -9.166 1.00 0.00 H new ATOM 1078 N MET A 70 10.732 -5.189 -7.439 1.00 0.00 N ATOM 1079 CA MET A 70 9.674 -4.474 -6.745 1.00 0.00 C ATOM 1080 C MET A 70 9.688 -2.988 -7.108 1.00 0.00 C ATOM 1081 O MET A 70 10.752 -2.401 -7.300 1.00 0.00 O ATOM 1082 CB MET A 70 9.858 -4.632 -5.234 1.00 0.00 C ATOM 1083 CG MET A 70 8.885 -3.733 -4.467 1.00 0.00 C ATOM 1084 SD MET A 70 9.790 -2.512 -3.531 1.00 0.00 S ATOM 1085 CE MET A 70 10.732 -3.582 -2.456 1.00 0.00 C ATOM 0 H MET A 70 11.484 -4.599 -7.795 1.00 0.00 H new ATOM 0 HA MET A 70 8.716 -4.895 -7.050 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.698 -5.672 -4.951 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.883 -4.382 -4.961 1.00 0.00 H new ATOM 0 HG2 MET A 70 8.207 -3.240 -5.163 1.00 0.00 H new ATOM 0 HG3 MET A 70 8.272 -4.335 -3.797 1.00 0.00 H new ATOM 0 HE1 MET A 70 10.905 -3.080 -1.504 1.00 0.00 H new ATOM 0 HE2 MET A 70 10.178 -4.505 -2.284 1.00 0.00 H new ATOM 0 HE3 MET A 70 11.689 -3.815 -2.923 1.00 0.00 H new ATOM 1095 N TRP A 71 8.492 -2.421 -7.194 1.00 0.00 N ATOM 1096 CA TRP A 71 8.354 -1.015 -7.531 1.00 0.00 C ATOM 1097 C TRP A 71 7.876 -0.273 -6.281 1.00 0.00 C ATOM 1098 O TRP A 71 7.247 -0.866 -5.406 1.00 0.00 O ATOM 1099 CB TRP A 71 7.421 -0.829 -8.730 1.00 0.00 C ATOM 1100 CG TRP A 71 8.134 -0.848 -10.083 1.00 0.00 C ATOM 1101 CD1 TRP A 71 9.240 -0.182 -10.442 1.00 0.00 C ATOM 1102 CD2 TRP A 71 7.745 -1.603 -11.250 1.00 0.00 C ATOM 1103 NE1 TRP A 71 9.591 -0.449 -11.750 1.00 0.00 N ATOM 1104 CE2 TRP A 71 8.653 -1.341 -12.257 1.00 0.00 C ATOM 1105 CE3 TRP A 71 6.662 -2.477 -11.448 1.00 0.00 C ATOM 1106 CZ2 TRP A 71 8.568 -1.914 -13.532 1.00 0.00 C ATOM 1107 CZ3 TRP A 71 6.592 -3.041 -12.728 1.00 0.00 C ATOM 1108 CH2 TRP A 71 7.497 -2.789 -13.752 1.00 0.00 C ATOM 0 H TRP A 71 7.611 -2.910 -7.036 1.00 0.00 H new ATOM 0 HA TRP A 71 9.312 -0.596 -7.839 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.668 -1.617 -8.717 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.893 0.118 -8.623 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.788 0.481 -9.789 1.00 0.00 H new ATOM 0 HE1 TRP A 71 10.391 -0.063 -12.252 1.00 0.00 H new ATOM 0 HE3 TRP A 71 5.941 -2.696 -10.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.290 -1.693 -14.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 5.777 -3.720 -12.934 1.00 0.00 H new ATOM 0 HH2 TRP A 71 7.375 -3.266 -14.713 1.00 0.00 H new ATOM 1119 N GLN A 72 8.193 1.012 -6.238 1.00 0.00 N ATOM 1120 CA GLN A 72 7.802 1.841 -5.110 1.00 0.00 C ATOM 1121 C GLN A 72 7.211 3.163 -5.602 1.00 0.00 C ATOM 1122 O GLN A 72 7.946 4.099 -5.913 1.00 0.00 O ATOM 1123 CB GLN A 72 8.987 2.086 -4.173 1.00 0.00 C ATOM 1124 CG GLN A 72 8.508 2.408 -2.756 1.00 0.00 C ATOM 1125 CD GLN A 72 8.261 1.128 -1.956 1.00 0.00 C ATOM 1126 OE1 GLN A 72 7.069 0.578 -2.169 1.00 0.00 O flip ATOM 1127 NE2 GLN A 72 9.097 0.670 -1.195 1.00 0.00 N flip ATOM 0 H GLN A 72 8.716 1.500 -6.965 1.00 0.00 H new ATOM 0 HA GLN A 72 7.036 1.311 -4.544 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.627 1.204 -4.153 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.591 2.910 -4.553 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.252 3.021 -2.247 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.590 2.994 -2.803 1.00 0.00 H new ATOM 0 HE21 GLN A 72 9.993 1.143 -1.078 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.900 -0.186 -0.676 1.00 0.00 H new ATOM 1136 N LEU A 73 5.887 3.199 -5.659 1.00 0.00 N ATOM 1137 CA LEU A 73 5.189 4.391 -6.108 1.00 0.00 C ATOM 1138 C LEU A 73 5.778 5.616 -5.407 1.00 0.00 C ATOM 1139 O LEU A 73 5.717 5.724 -4.182 1.00 0.00 O ATOM 1140 CB LEU A 73 3.680 4.234 -5.909 1.00 0.00 C ATOM 1141 CG LEU A 73 2.844 5.502 -6.094 1.00 0.00 C ATOM 1142 CD1 LEU A 73 3.195 6.204 -7.407 1.00 0.00 C ATOM 1143 CD2 LEU A 73 1.349 5.194 -5.991 1.00 0.00 C ATOM 0 H LEU A 73 5.280 2.421 -5.401 1.00 0.00 H new ATOM 0 HA LEU A 73 5.333 4.537 -7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.318 3.479 -6.607 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.504 3.850 -4.904 1.00 0.00 H new ATOM 0 HG LEU A 73 3.087 6.191 -5.285 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.586 7.102 -7.513 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.250 6.479 -7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.999 5.532 -8.243 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.778 6.113 -6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.071 4.477 -6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.131 4.773 -5.010 1.00 0.00 H new ATOM 1155 N TYR A 74 6.334 6.509 -6.212 1.00 0.00 N ATOM 1156 CA TYR A 74 6.933 7.722 -5.684 1.00 0.00 C ATOM 1157 C TYR A 74 6.009 8.925 -5.892 1.00 0.00 C ATOM 1158 O TYR A 74 4.913 8.784 -6.431 1.00 0.00 O ATOM 1159 CB TYR A 74 8.220 7.939 -6.482 1.00 0.00 C ATOM 1160 CG TYR A 74 9.495 7.861 -5.638 1.00 0.00 C ATOM 1161 CD1 TYR A 74 9.574 6.969 -4.589 1.00 0.00 C ATOM 1162 CD2 TYR A 74 10.566 8.682 -5.929 1.00 0.00 C ATOM 1163 CE1 TYR A 74 10.774 6.895 -3.795 1.00 0.00 C ATOM 1164 CE2 TYR A 74 11.765 8.608 -5.136 1.00 0.00 C ATOM 1165 CZ TYR A 74 11.810 7.719 -4.109 1.00 0.00 C ATOM 1166 OH TYR A 74 12.944 7.649 -3.359 1.00 0.00 O ATOM 0 H TYR A 74 6.382 6.416 -7.227 1.00 0.00 H new ATOM 0 HA TYR A 74 7.116 7.625 -4.614 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.275 7.193 -7.274 1.00 0.00 H new ATOM 0 HB3 TYR A 74 8.176 8.915 -6.966 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.736 6.326 -4.363 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.504 9.379 -6.751 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.849 6.202 -2.970 1.00 0.00 H new ATOM 0 HE2 TYR A 74 12.610 9.245 -5.352 1.00 0.00 H new ATOM 0 HH TYR A 74 13.664 7.250 -3.891 1.00 0.00 H new ATOM 1176 N PRO A 75 6.500 10.111 -5.442 1.00 0.00 N ATOM 1177 CA PRO A 75 5.731 11.336 -5.573 1.00 0.00 C ATOM 1178 C PRO A 75 5.743 11.840 -7.018 1.00 0.00 C ATOM 1179 O PRO A 75 6.550 11.389 -7.829 1.00 0.00 O ATOM 1180 CB PRO A 75 6.375 12.310 -4.599 1.00 0.00 C ATOM 1181 CG PRO A 75 7.757 11.752 -4.303 1.00 0.00 C ATOM 1182 CD PRO A 75 7.795 10.316 -4.800 1.00 0.00 C ATOM 0 HA PRO A 75 4.676 11.197 -5.339 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.441 13.308 -5.032 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.785 12.397 -3.686 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.524 12.348 -4.798 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.964 11.792 -3.234 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.614 10.162 -5.503 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.944 9.616 -3.978 1.00 0.00 H new ATOM 1190 N GLU A 76 4.839 12.768 -7.295 1.00 0.00 N ATOM 1191 CA GLU A 76 4.734 13.337 -8.628 1.00 0.00 C ATOM 1192 C GLU A 76 3.908 12.421 -9.533 1.00 0.00 C ATOM 1193 O GLU A 76 2.741 12.700 -9.803 1.00 0.00 O ATOM 1194 CB GLU A 76 6.120 13.592 -9.224 1.00 0.00 C ATOM 1195 CG GLU A 76 6.214 15.003 -9.808 1.00 0.00 C ATOM 1196 CD GLU A 76 7.671 15.396 -10.064 1.00 0.00 C ATOM 1197 OE1 GLU A 76 8.417 14.631 -10.693 1.00 0.00 O ATOM 1198 OE2 GLU A 76 8.019 16.541 -9.582 1.00 0.00 O ATOM 0 H GLU A 76 4.172 13.140 -6.619 1.00 0.00 H new ATOM 0 HA GLU A 76 4.223 14.297 -8.554 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.881 13.462 -8.454 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.326 12.858 -10.003 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.651 15.053 -10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.757 15.716 -9.121 1.00 0.00 H new ATOM 1206 N GLU A 77 4.545 11.348 -9.977 1.00 0.00 N ATOM 1207 CA GLU A 77 3.884 10.391 -10.847 1.00 0.00 C ATOM 1208 C GLU A 77 4.906 9.418 -11.438 1.00 0.00 C ATOM 1209 O GLU A 77 4.938 9.208 -12.650 1.00 0.00 O ATOM 1210 CB GLU A 77 3.101 11.103 -11.951 1.00 0.00 C ATOM 1211 CG GLU A 77 2.610 10.108 -13.004 1.00 0.00 C ATOM 1212 CD GLU A 77 1.159 10.395 -13.395 1.00 0.00 C ATOM 1213 OE1 GLU A 77 0.909 11.217 -14.289 1.00 0.00 O ATOM 1214 OE2 GLU A 77 0.274 9.729 -12.734 1.00 0.00 O ATOM 0 H GLU A 77 5.513 11.120 -9.750 1.00 0.00 H new ATOM 0 HA GLU A 77 3.170 9.821 -10.252 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.250 11.628 -11.517 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.733 11.855 -12.423 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.246 10.164 -13.887 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.692 9.093 -12.616 1.00 0.00 H new ATOM 1222 N ARG A 78 5.715 8.850 -10.556 1.00 0.00 N ATOM 1223 CA ARG A 78 6.735 7.904 -10.977 1.00 0.00 C ATOM 1224 C ARG A 78 6.862 6.772 -9.955 1.00 0.00 C ATOM 1225 O ARG A 78 6.431 6.912 -8.811 1.00 0.00 O ATOM 1226 CB ARG A 78 8.092 8.593 -11.136 1.00 0.00 C ATOM 1227 CG ARG A 78 7.921 10.039 -11.605 1.00 0.00 C ATOM 1228 CD ARG A 78 9.127 10.493 -12.431 1.00 0.00 C ATOM 1229 NE ARG A 78 9.812 11.616 -11.750 1.00 0.00 N ATOM 1230 CZ ARG A 78 10.798 12.350 -12.308 1.00 0.00 C ATOM 1231 NH1 ARG A 78 11.223 12.087 -13.562 1.00 0.00 N ATOM 1232 NH2 ARG A 78 11.339 13.331 -11.609 1.00 0.00 N ATOM 0 H ARG A 78 5.685 9.026 -9.552 1.00 0.00 H new ATOM 0 HA ARG A 78 6.432 7.496 -11.941 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.626 8.576 -10.186 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.701 8.044 -11.854 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.013 10.127 -12.202 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.800 10.693 -10.742 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.819 9.662 -12.566 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.802 10.803 -13.424 1.00 0.00 H new ATOM 0 HE ARG A 78 9.521 11.849 -10.801 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.799 11.329 -14.096 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.969 12.647 -13.976 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.011 13.524 -10.663 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.085 13.896 -12.015 1.00 0.00 H new ATOM 1245 N TYR A 79 7.455 5.676 -10.405 1.00 0.00 N ATOM 1246 CA TYR A 79 7.643 4.520 -9.546 1.00 0.00 C ATOM 1247 C TYR A 79 9.130 4.253 -9.303 1.00 0.00 C ATOM 1248 O TYR A 79 9.881 4.005 -10.244 1.00 0.00 O ATOM 1249 CB TYR A 79 7.041 3.332 -10.299 1.00 0.00 C ATOM 1250 CG TYR A 79 5.578 3.051 -9.948 1.00 0.00 C ATOM 1251 CD1 TYR A 79 4.716 4.097 -9.692 1.00 0.00 C ATOM 1252 CD2 TYR A 79 5.121 1.749 -9.887 1.00 0.00 C ATOM 1253 CE1 TYR A 79 3.340 3.832 -9.362 1.00 0.00 C ATOM 1254 CE2 TYR A 79 3.744 1.484 -9.558 1.00 0.00 C ATOM 1255 CZ TYR A 79 2.922 2.539 -9.311 1.00 0.00 C ATOM 1256 OH TYR A 79 1.622 2.289 -8.999 1.00 0.00 O ATOM 0 H TYR A 79 7.812 5.564 -11.354 1.00 0.00 H new ATOM 0 HA TYR A 79 7.172 4.683 -8.576 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.118 3.517 -11.370 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.633 2.442 -10.086 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.073 5.115 -9.739 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.796 0.930 -10.086 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.655 4.642 -9.159 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.373 0.471 -9.509 1.00 0.00 H new ATOM 0 HH TYR A 79 1.356 2.844 -8.236 1.00 0.00 H new ATOM 1266 N MET A 80 9.510 4.315 -8.035 1.00 0.00 N ATOM 1267 CA MET A 80 10.894 4.083 -7.657 1.00 0.00 C ATOM 1268 C MET A 80 11.122 2.616 -7.285 1.00 0.00 C ATOM 1269 O MET A 80 10.383 2.055 -6.477 1.00 0.00 O ATOM 1270 CB MET A 80 11.254 4.974 -6.466 1.00 0.00 C ATOM 1271 CG MET A 80 12.736 4.839 -6.109 1.00 0.00 C ATOM 1272 SD MET A 80 13.524 6.439 -6.159 1.00 0.00 S ATOM 1273 CE MET A 80 15.161 5.961 -6.686 1.00 0.00 C ATOM 0 H MET A 80 8.884 4.522 -7.257 1.00 0.00 H new ATOM 0 HA MET A 80 11.530 4.325 -8.509 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.026 6.013 -6.703 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.643 4.702 -5.606 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.841 4.404 -5.115 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.226 4.161 -6.807 1.00 0.00 H new ATOM 0 HE1 MET A 80 15.790 6.847 -6.769 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.593 5.277 -5.956 1.00 0.00 H new ATOM 0 HE3 MET A 80 15.101 5.466 -7.655 1.00 0.00 H new ATOM 1283 N ASP A 81 12.148 2.038 -7.890 1.00 0.00 N ATOM 1284 CA ASP A 81 12.482 0.648 -7.634 1.00 0.00 C ATOM 1285 C ASP A 81 13.646 0.583 -6.642 1.00 0.00 C ATOM 1286 O ASP A 81 14.172 1.614 -6.227 1.00 0.00 O ATOM 1287 CB ASP A 81 12.916 -0.062 -8.918 1.00 0.00 C ATOM 1288 CG ASP A 81 14.234 0.434 -9.517 1.00 0.00 C ATOM 1289 OD1 ASP A 81 15.223 0.643 -8.799 1.00 0.00 O ATOM 1290 OD2 ASP A 81 14.219 0.607 -10.795 1.00 0.00 O ATOM 0 H ASP A 81 12.760 2.507 -8.558 1.00 0.00 H new ATOM 0 HA ASP A 81 11.595 0.157 -7.234 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.006 -1.129 -8.713 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.129 0.054 -9.663 1.00 0.00 H new ATOM 1296 N ASN A 82 14.014 -0.641 -6.291 1.00 0.00 N ATOM 1297 CA ASN A 82 15.107 -0.854 -5.357 1.00 0.00 C ATOM 1298 C ASN A 82 16.383 -1.178 -6.138 1.00 0.00 C ATOM 1299 O ASN A 82 17.432 -1.421 -5.545 1.00 0.00 O ATOM 1300 CB ASN A 82 14.813 -2.031 -4.424 1.00 0.00 C ATOM 1301 CG ASN A 82 15.480 -1.830 -3.062 1.00 0.00 C ATOM 1302 OD1 ASN A 82 16.537 -1.234 -2.942 1.00 0.00 O ATOM 1303 ND2 ASN A 82 14.806 -2.362 -2.046 1.00 0.00 N ATOM 0 H ASN A 82 13.575 -1.495 -6.636 1.00 0.00 H new ATOM 0 HA ASN A 82 15.227 0.054 -4.766 1.00 0.00 H new ATOM 0 HB2 ASN A 82 13.736 -2.136 -4.294 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.171 -2.956 -4.876 1.00 0.00 H new ATOM 0 HD21 ASN A 82 15.169 -2.283 -1.096 1.00 0.00 H new ATOM 0 HD22 ASN A 82 13.926 -2.848 -2.217 1.00 0.00 H new ATOM 1310 N ASN A 83 16.250 -1.169 -7.455 1.00 0.00 N ATOM 1311 CA ASN A 83 17.379 -1.458 -8.323 1.00 0.00 C ATOM 1312 C ASN A 83 18.255 -0.210 -8.446 1.00 0.00 C ATOM 1313 O ASN A 83 19.323 -0.254 -9.055 1.00 0.00 O ATOM 1314 CB ASN A 83 16.909 -1.846 -9.727 1.00 0.00 C ATOM 1315 CG ASN A 83 18.017 -2.571 -10.495 1.00 0.00 C ATOM 1316 OD1 ASN A 83 17.625 -3.705 -11.067 1.00 0.00 O flip ATOM 1317 ND2 ASN A 83 19.152 -2.128 -10.564 1.00 0.00 N flip ATOM 0 H ASN A 83 15.378 -0.966 -7.943 1.00 0.00 H new ATOM 0 HA ASN A 83 17.936 -2.287 -7.887 1.00 0.00 H new ATOM 0 HB2 ASN A 83 16.031 -2.488 -9.656 1.00 0.00 H new ATOM 0 HB3 ASN A 83 16.607 -0.952 -10.273 1.00 0.00 H new ATOM 0 HD21 ASN A 83 19.386 -1.250 -10.100 1.00 0.00 H new ATOM 0 HD22 ASN A 83 19.867 -2.636 -11.085 1.00 0.00 H new ATOM 1324 N SER A 84 17.772 0.874 -7.858 1.00 0.00 N ATOM 1325 CA SER A 84 18.497 2.132 -7.892 1.00 0.00 C ATOM 1326 C SER A 84 18.108 2.926 -9.141 1.00 0.00 C ATOM 1327 O SER A 84 18.926 3.660 -9.694 1.00 0.00 O ATOM 1328 CB SER A 84 20.009 1.896 -7.863 1.00 0.00 C ATOM 1329 OG SER A 84 20.711 3.006 -7.311 1.00 0.00 O ATOM 0 H SER A 84 16.886 0.907 -7.354 1.00 0.00 H new ATOM 0 HA SER A 84 18.228 2.707 -7.006 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.225 1.002 -7.278 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.366 1.708 -8.875 1.00 0.00 H new ATOM 0 HG SER A 84 21.672 2.816 -7.308 1.00 0.00 H new ATOM 1335 N ARG A 85 16.861 2.751 -9.550 1.00 0.00 N ATOM 1336 CA ARG A 85 16.353 3.442 -10.723 1.00 0.00 C ATOM 1337 C ARG A 85 14.941 3.967 -10.461 1.00 0.00 C ATOM 1338 O ARG A 85 14.230 3.445 -9.602 1.00 0.00 O ATOM 1339 CB ARG A 85 16.327 2.515 -11.939 1.00 0.00 C ATOM 1340 CG ARG A 85 17.488 1.520 -11.897 1.00 0.00 C ATOM 1341 CD ARG A 85 18.008 1.222 -13.304 1.00 0.00 C ATOM 1342 NE ARG A 85 18.439 -0.191 -13.397 1.00 0.00 N ATOM 1343 CZ ARG A 85 19.194 -0.688 -14.399 1.00 0.00 C ATOM 1344 NH1 ARG A 85 19.610 0.112 -15.405 1.00 0.00 N ATOM 1345 NH2 ARG A 85 19.521 -1.966 -14.382 1.00 0.00 N ATOM 0 H ARG A 85 16.186 2.140 -9.090 1.00 0.00 H new ATOM 0 HA ARG A 85 17.022 4.277 -10.931 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.381 1.974 -11.968 1.00 0.00 H new ATOM 0 HB3 ARG A 85 16.384 3.107 -12.853 1.00 0.00 H new ATOM 0 HG2 ARG A 85 18.295 1.924 -11.285 1.00 0.00 H new ATOM 0 HG3 ARG A 85 17.161 0.594 -11.423 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.228 1.422 -14.039 1.00 0.00 H new ATOM 0 HD3 ARG A 85 18.843 1.882 -13.539 1.00 0.00 H new ATOM 0 HE ARG A 85 18.147 -0.829 -12.657 1.00 0.00 H new ATOM 0 HH11 ARG A 85 19.354 1.099 -15.411 1.00 0.00 H new ATOM 0 HH12 ARG A 85 20.180 -0.271 -16.159 1.00 0.00 H new ATOM 0 HH21 ARG A 85 19.204 -2.564 -13.619 1.00 0.00 H new ATOM 0 HH22 ARG A 85 20.091 -2.357 -15.132 1.00 0.00 H new ATOM 1358 N LEU A 86 14.576 4.994 -11.214 1.00 0.00 N ATOM 1359 CA LEU A 86 13.260 5.595 -11.073 1.00 0.00 C ATOM 1360 C LEU A 86 12.508 5.483 -12.401 1.00 0.00 C ATOM 1361 O LEU A 86 12.934 6.044 -13.410 1.00 0.00 O ATOM 1362 CB LEU A 86 13.380 7.030 -10.554 1.00 0.00 C ATOM 1363 CG LEU A 86 12.081 7.680 -10.075 1.00 0.00 C ATOM 1364 CD1 LEU A 86 11.330 8.330 -11.238 1.00 0.00 C ATOM 1365 CD2 LEU A 86 11.210 6.673 -9.321 1.00 0.00 C ATOM 0 H LEU A 86 15.168 5.425 -11.924 1.00 0.00 H new ATOM 0 HA LEU A 86 12.674 5.058 -10.328 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.093 7.039 -9.730 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.802 7.648 -11.347 1.00 0.00 H new ATOM 0 HG LEU A 86 12.336 8.475 -9.374 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.411 8.784 -10.869 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.957 9.097 -11.692 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.087 7.572 -11.983 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.293 7.161 -8.991 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.962 5.841 -9.980 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.754 6.299 -8.454 1.00 0.00 H new ATOM 1377 N TRP A 87 11.403 4.754 -12.358 1.00 0.00 N ATOM 1378 CA TRP A 87 10.587 4.561 -13.545 1.00 0.00 C ATOM 1379 C TRP A 87 9.530 5.667 -13.577 1.00 0.00 C ATOM 1380 O TRP A 87 8.964 6.019 -12.544 1.00 0.00 O ATOM 1381 CB TRP A 87 9.983 3.155 -13.573 1.00 0.00 C ATOM 1382 CG TRP A 87 11.022 2.032 -13.599 1.00 0.00 C ATOM 1383 CD1 TRP A 87 12.090 1.877 -12.804 1.00 0.00 C ATOM 1384 CD2 TRP A 87 11.048 0.906 -14.501 1.00 0.00 C ATOM 1385 NE1 TRP A 87 12.799 0.738 -13.127 1.00 0.00 N ATOM 1386 CE2 TRP A 87 12.146 0.129 -14.192 1.00 0.00 C ATOM 1387 CE3 TRP A 87 10.173 0.556 -15.544 1.00 0.00 C ATOM 1388 CZ2 TRP A 87 12.470 -1.047 -14.878 1.00 0.00 C ATOM 1389 CZ3 TRP A 87 10.511 -0.623 -16.220 1.00 0.00 C ATOM 1390 CH2 TRP A 87 11.613 -1.416 -15.922 1.00 0.00 C ATOM 0 H TRP A 87 11.053 4.290 -11.520 1.00 0.00 H new ATOM 0 HA TRP A 87 11.195 4.634 -14.447 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.346 3.027 -12.698 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.342 3.063 -14.450 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.361 2.558 -12.011 1.00 0.00 H new ATOM 0 HE1 TRP A 87 13.647 0.404 -12.668 1.00 0.00 H new ATOM 0 HE3 TRP A 87 9.309 1.149 -15.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 13.335 -1.638 -14.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 9.870 -0.938 -17.030 1.00 0.00 H new ATOM 0 HH2 TRP A 87 11.807 -2.312 -16.493 1.00 0.00 H new ATOM 1401 N GLN A 88 9.295 6.183 -14.774 1.00 0.00 N ATOM 1402 CA GLN A 88 8.317 7.241 -14.955 1.00 0.00 C ATOM 1403 C GLN A 88 7.002 6.664 -15.482 1.00 0.00 C ATOM 1404 O GLN A 88 6.971 6.052 -16.549 1.00 0.00 O ATOM 1405 CB GLN A 88 8.851 8.329 -15.889 1.00 0.00 C ATOM 1406 CG GLN A 88 7.708 9.173 -16.458 1.00 0.00 C ATOM 1407 CD GLN A 88 8.121 10.641 -16.581 1.00 0.00 C ATOM 1408 OE1 GLN A 88 9.031 10.998 -17.311 1.00 0.00 O ATOM 1409 NE2 GLN A 88 7.401 11.469 -15.829 1.00 0.00 N ATOM 0 H GLN A 88 9.766 5.887 -15.629 1.00 0.00 H new ATOM 0 HA GLN A 88 8.127 7.702 -13.986 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.546 8.970 -15.347 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.410 7.871 -16.705 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.420 8.789 -17.437 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.833 9.090 -15.813 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.653 11.103 -15.240 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.597 12.470 -15.841 1.00 0.00 H new ATOM 1418 N ILE A 89 5.946 6.878 -14.711 1.00 0.00 N ATOM 1419 CA ILE A 89 4.631 6.387 -15.086 1.00 0.00 C ATOM 1420 C ILE A 89 4.221 7.011 -16.421 1.00 0.00 C ATOM 1421 O ILE A 89 3.693 8.122 -16.455 1.00 0.00 O ATOM 1422 CB ILE A 89 3.627 6.630 -13.959 1.00 0.00 C ATOM 1423 CG1 ILE A 89 4.083 5.956 -12.663 1.00 0.00 C ATOM 1424 CG2 ILE A 89 2.222 6.186 -14.372 1.00 0.00 C ATOM 1425 CD1 ILE A 89 3.759 4.460 -12.679 1.00 0.00 C ATOM 0 H ILE A 89 5.975 7.386 -13.827 1.00 0.00 H new ATOM 0 HA ILE A 89 4.654 5.307 -15.232 1.00 0.00 H new ATOM 0 HB ILE A 89 3.583 7.702 -13.766 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.156 6.098 -12.533 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.594 6.429 -11.811 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.527 6.370 -13.553 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.906 6.750 -15.250 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.231 5.122 -14.608 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.094 4.005 -11.747 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.683 4.322 -12.785 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.270 3.986 -13.517 1.00 0.00 H new ATOM 1437 N GLN A 90 4.480 6.271 -17.489 1.00 0.00 N ATOM 1438 CA GLN A 90 4.143 6.737 -18.823 1.00 0.00 C ATOM 1439 C GLN A 90 2.672 7.152 -18.885 1.00 0.00 C ATOM 1440 O GLN A 90 2.346 8.222 -19.398 1.00 0.00 O ATOM 1441 CB GLN A 90 4.457 5.669 -19.873 1.00 0.00 C ATOM 1442 CG GLN A 90 5.473 6.187 -20.894 1.00 0.00 C ATOM 1443 CD GLN A 90 4.828 7.190 -21.852 1.00 0.00 C ATOM 1444 OE1 GLN A 90 4.675 8.362 -21.553 1.00 0.00 O ATOM 1445 NE2 GLN A 90 4.457 6.664 -23.016 1.00 0.00 N ATOM 0 H GLN A 90 4.920 5.351 -17.457 1.00 0.00 H new ATOM 0 HA GLN A 90 4.756 7.610 -19.047 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.849 4.777 -19.384 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.540 5.375 -20.384 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.307 6.660 -20.375 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.883 5.351 -21.460 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.615 5.674 -23.202 1.00 0.00 H new ATOM 0 HE22 GLN A 90 4.015 7.251 -23.723 1.00 0.00 H new ATOM 1454 N HIS A 91 1.823 6.283 -18.356 1.00 0.00 N ATOM 1455 CA HIS A 91 0.394 6.545 -18.345 1.00 0.00 C ATOM 1456 C HIS A 91 -0.321 5.460 -17.537 1.00 0.00 C ATOM 1457 O HIS A 91 -0.034 4.274 -17.693 1.00 0.00 O ATOM 1458 CB HIS A 91 -0.146 6.674 -19.770 1.00 0.00 C ATOM 1459 CG HIS A 91 -0.745 5.401 -20.318 1.00 0.00 C ATOM 1460 ND1 HIS A 91 -1.719 4.588 -19.819 1.00 0.00 N flip ATOM 1461 CD2 HIS A 91 -0.342 4.838 -21.517 1.00 0.00 C flip ATOM 1462 CE1 HIS A 91 -1.903 3.583 -20.667 1.00 0.00 C flip ATOM 1463 NE2 HIS A 91 -1.050 3.737 -21.720 1.00 0.00 N flip ATOM 0 H HIS A 91 2.097 5.397 -17.932 1.00 0.00 H new ATOM 0 HA HIS A 91 0.200 7.500 -17.857 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.903 7.458 -19.791 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.663 6.995 -20.426 1.00 0.00 H new ATOM 0 HD2 HIS A 91 0.420 5.230 -22.175 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.611 2.777 -20.543 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.971 3.113 -22.523 1.00 0.00 H new ATOM 1471 N HIS A 92 -1.238 5.905 -16.690 1.00 0.00 N ATOM 1472 CA HIS A 92 -1.996 4.987 -15.857 1.00 0.00 C ATOM 1473 C HIS A 92 -3.493 5.254 -16.029 1.00 0.00 C ATOM 1474 O HIS A 92 -3.980 6.328 -15.680 1.00 0.00 O ATOM 1475 CB HIS A 92 -1.542 5.075 -14.399 1.00 0.00 C ATOM 1476 CG HIS A 92 -2.303 4.167 -13.463 1.00 0.00 C ATOM 1477 ND1 HIS A 92 -2.440 2.810 -13.453 1.00 0.00 N flip ATOM 1478 CD2 HIS A 92 -3.032 4.641 -12.386 1.00 0.00 C flip ATOM 1479 CE1 HIS A 92 -3.210 2.474 -12.426 1.00 0.00 C flip ATOM 1480 NE2 HIS A 92 -3.579 3.607 -11.764 1.00 0.00 N flip ATOM 0 H HIS A 92 -1.473 6.889 -16.563 1.00 0.00 H new ATOM 0 HA HIS A 92 -1.806 3.962 -16.175 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.481 4.830 -14.344 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.649 6.104 -14.057 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -3.137 5.677 -12.101 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -3.497 1.468 -12.158 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -4.172 3.651 -10.935 1.00 0.00 H new ATOM 1488 N LEU A 93 -4.180 4.259 -16.569 1.00 0.00 N ATOM 1489 CA LEU A 93 -5.611 4.372 -16.793 1.00 0.00 C ATOM 1490 C LEU A 93 -6.247 2.983 -16.706 1.00 0.00 C ATOM 1491 O LEU A 93 -5.550 1.986 -16.523 1.00 0.00 O ATOM 1492 CB LEU A 93 -5.892 5.096 -18.110 1.00 0.00 C ATOM 1493 CG LEU A 93 -5.768 4.252 -19.380 1.00 0.00 C ATOM 1494 CD1 LEU A 93 -5.543 5.138 -20.607 1.00 0.00 C ATOM 1495 CD2 LEU A 93 -4.674 3.193 -19.230 1.00 0.00 C ATOM 0 H LEU A 93 -3.772 3.370 -16.858 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.071 4.983 -16.017 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.901 5.507 -18.068 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.207 5.940 -18.191 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.709 3.724 -19.532 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.458 4.513 -21.496 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.385 5.821 -20.722 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.625 5.712 -20.478 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.607 2.607 -20.147 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.718 3.682 -19.041 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.917 2.535 -18.396 1.00 0.00 H new ATOM 1507 N MET A 94 -7.565 2.961 -16.844 1.00 0.00 N ATOM 1508 CA MET A 94 -8.303 1.712 -16.785 1.00 0.00 C ATOM 1509 C MET A 94 -9.217 1.556 -18.003 1.00 0.00 C ATOM 1510 O MET A 94 -9.843 2.520 -18.441 1.00 0.00 O ATOM 1511 CB MET A 94 -9.146 1.675 -15.509 1.00 0.00 C ATOM 1512 CG MET A 94 -10.314 0.697 -15.650 1.00 0.00 C ATOM 1513 SD MET A 94 -10.906 0.215 -14.036 1.00 0.00 S ATOM 1514 CE MET A 94 -10.088 -1.363 -13.865 1.00 0.00 C ATOM 0 H MET A 94 -8.140 3.789 -16.997 1.00 0.00 H new ATOM 0 HA MET A 94 -7.587 0.890 -16.783 1.00 0.00 H new ATOM 0 HB2 MET A 94 -8.522 1.382 -14.665 1.00 0.00 H new ATOM 0 HB3 MET A 94 -9.527 2.673 -15.292 1.00 0.00 H new ATOM 0 HG2 MET A 94 -11.120 1.160 -16.219 1.00 0.00 H new ATOM 0 HG3 MET A 94 -9.996 -0.184 -16.208 1.00 0.00 H new ATOM 0 HE1 MET A 94 -10.831 -2.160 -13.869 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.397 -1.507 -14.696 1.00 0.00 H new ATOM 0 HE3 MET A 94 -9.535 -1.386 -12.926 1.00 0.00 H new ATOM 1524 N VAL A 95 -9.262 0.335 -18.516 1.00 0.00 N ATOM 1525 CA VAL A 95 -10.088 0.041 -19.676 1.00 0.00 C ATOM 1526 C VAL A 95 -10.640 -1.380 -19.556 1.00 0.00 C ATOM 1527 O VAL A 95 -9.944 -2.283 -19.096 1.00 0.00 O ATOM 1528 CB VAL A 95 -9.286 0.266 -20.960 1.00 0.00 C ATOM 1529 CG1 VAL A 95 -10.066 -0.216 -22.184 1.00 0.00 C ATOM 1530 CG2 VAL A 95 -8.887 1.736 -21.107 1.00 0.00 C ATOM 0 H VAL A 95 -8.741 -0.462 -18.150 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.941 0.718 -19.720 1.00 0.00 H new ATOM 0 HB VAL A 95 -8.372 -0.323 -20.892 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.474 -0.045 -23.083 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -10.276 -1.281 -22.085 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -11.004 0.334 -22.257 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.318 1.868 -22.027 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.784 2.355 -21.142 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.274 2.034 -20.256 1.00 0.00 H new ATOM 1540 N ARG A 96 -11.887 -1.534 -19.979 1.00 0.00 N ATOM 1541 CA ARG A 96 -12.539 -2.831 -19.927 1.00 0.00 C ATOM 1542 C ARG A 96 -12.332 -3.475 -18.555 1.00 0.00 C ATOM 1543 O ARG A 96 -12.123 -4.683 -18.457 1.00 0.00 O ATOM 1544 CB ARG A 96 -11.994 -3.767 -21.008 1.00 0.00 C ATOM 1545 CG ARG A 96 -12.574 -3.416 -22.380 1.00 0.00 C ATOM 1546 CD ARG A 96 -13.446 -4.555 -22.913 1.00 0.00 C ATOM 1547 NE ARG A 96 -14.112 -4.138 -24.168 1.00 0.00 N ATOM 1548 CZ ARG A 96 -15.197 -4.750 -24.689 1.00 0.00 C ATOM 1549 NH1 ARG A 96 -15.749 -5.812 -24.065 1.00 0.00 N ATOM 1550 NH2 ARG A 96 -15.709 -4.294 -25.816 1.00 0.00 N ATOM 0 H ARG A 96 -12.462 -0.782 -20.359 1.00 0.00 H new ATOM 0 HA ARG A 96 -13.603 -2.673 -20.102 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.907 -3.697 -21.040 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -12.240 -4.799 -20.758 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -13.166 -2.504 -22.306 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.764 -3.215 -23.081 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.834 -5.439 -23.093 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -14.193 -4.831 -22.169 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.727 -3.338 -24.671 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -15.347 -6.157 -23.194 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -16.569 -6.269 -24.465 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.285 -3.491 -26.280 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -16.528 -4.745 -26.223 1.00 0.00 H new ATOM 1563 N GLY A 97 -12.398 -2.638 -17.528 1.00 0.00 N ATOM 1564 CA GLY A 97 -12.220 -3.111 -16.166 1.00 0.00 C ATOM 1565 C GLY A 97 -10.790 -3.607 -15.940 1.00 0.00 C ATOM 1566 O GLY A 97 -10.551 -4.453 -15.079 1.00 0.00 O ATOM 0 H GLY A 97 -12.572 -1.637 -17.613 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.445 -2.307 -15.466 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.925 -3.917 -15.962 1.00 0.00 H new ATOM 1570 N VAL A 98 -9.876 -3.061 -16.729 1.00 0.00 N ATOM 1571 CA VAL A 98 -8.476 -3.437 -16.625 1.00 0.00 C ATOM 1572 C VAL A 98 -7.621 -2.174 -16.501 1.00 0.00 C ATOM 1573 O VAL A 98 -7.801 -1.222 -17.259 1.00 0.00 O ATOM 1574 CB VAL A 98 -8.080 -4.313 -17.816 1.00 0.00 C ATOM 1575 CG1 VAL A 98 -6.619 -4.083 -18.202 1.00 0.00 C ATOM 1576 CG2 VAL A 98 -8.343 -5.791 -17.520 1.00 0.00 C ATOM 0 H VAL A 98 -10.078 -2.361 -17.443 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.306 -4.034 -15.729 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.700 -4.026 -18.665 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.363 -4.717 -19.051 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.475 -3.037 -18.474 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.976 -4.330 -17.357 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.053 -6.392 -18.382 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.760 -6.097 -16.652 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.403 -5.938 -17.315 1.00 0.00 H new ATOM 1586 N GLN A 99 -6.711 -2.207 -15.540 1.00 0.00 N ATOM 1587 CA GLN A 99 -5.827 -1.077 -15.308 1.00 0.00 C ATOM 1588 C GLN A 99 -4.479 -1.307 -15.996 1.00 0.00 C ATOM 1589 O GLN A 99 -3.766 -2.256 -15.671 1.00 0.00 O ATOM 1590 CB GLN A 99 -5.641 -0.824 -13.810 1.00 0.00 C ATOM 1591 CG GLN A 99 -6.966 -0.436 -13.152 1.00 0.00 C ATOM 1592 CD GLN A 99 -7.102 -1.079 -11.771 1.00 0.00 C ATOM 1593 OE1 GLN A 99 -7.921 -1.953 -11.541 1.00 0.00 O ATOM 1594 NE2 GLN A 99 -6.254 -0.599 -10.865 1.00 0.00 N ATOM 0 H GLN A 99 -6.566 -2.998 -14.913 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.286 -0.188 -15.739 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.242 -1.719 -13.333 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -4.910 -0.030 -13.660 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -7.026 0.648 -13.060 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -7.796 -0.748 -13.786 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.593 0.133 -11.123 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.265 -0.964 -9.912 1.00 0.00 H new ATOM 1603 N GLU A 100 -4.171 -0.424 -16.934 1.00 0.00 N ATOM 1604 CA GLU A 100 -2.922 -0.519 -17.670 1.00 0.00 C ATOM 1605 C GLU A 100 -1.964 0.591 -17.235 1.00 0.00 C ATOM 1606 O GLU A 100 -2.135 1.749 -17.615 1.00 0.00 O ATOM 1607 CB GLU A 100 -3.170 -0.469 -19.179 1.00 0.00 C ATOM 1608 CG GLU A 100 -1.851 -0.361 -19.948 1.00 0.00 C ATOM 1609 CD GLU A 100 -2.061 -0.637 -21.438 1.00 0.00 C ATOM 1610 OE1 GLU A 100 -1.284 -0.155 -22.274 1.00 0.00 O ATOM 1611 OE2 GLU A 100 -3.075 -1.386 -21.715 1.00 0.00 O ATOM 0 H GLU A 100 -4.765 0.361 -17.201 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.461 -1.480 -17.442 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.706 -1.365 -19.493 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.806 0.383 -19.419 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.429 0.635 -19.815 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.130 -1.070 -19.541 1.00 0.00 H new ATOM 1619 N LEU A 101 -0.975 0.200 -16.443 1.00 0.00 N ATOM 1620 CA LEU A 101 0.010 1.148 -15.952 1.00 0.00 C ATOM 1621 C LEU A 101 1.283 1.037 -16.794 1.00 0.00 C ATOM 1622 O LEU A 101 1.899 -0.026 -16.856 1.00 0.00 O ATOM 1623 CB LEU A 101 0.245 0.948 -14.453 1.00 0.00 C ATOM 1624 CG LEU A 101 0.622 2.201 -13.660 1.00 0.00 C ATOM 1625 CD1 LEU A 101 0.557 1.936 -12.154 1.00 0.00 C ATOM 1626 CD2 LEU A 101 1.990 2.732 -14.091 1.00 0.00 C ATOM 0 H LEU A 101 -0.836 -0.761 -16.130 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.357 2.169 -16.061 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.660 0.525 -14.017 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.036 0.209 -14.325 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.109 2.979 -13.882 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.829 2.842 -11.613 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.456 1.640 -11.880 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.251 1.136 -11.895 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.234 3.623 -13.512 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.748 1.968 -13.918 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.965 2.984 -15.151 1.00 0.00 H new ATOM 1638 N LEU A 102 1.637 2.149 -17.421 1.00 0.00 N ATOM 1639 CA LEU A 102 2.825 2.190 -18.258 1.00 0.00 C ATOM 1640 C LEU A 102 3.995 2.748 -17.445 1.00 0.00 C ATOM 1641 O LEU A 102 3.935 3.874 -16.955 1.00 0.00 O ATOM 1642 CB LEU A 102 2.546 2.965 -19.547 1.00 0.00 C ATOM 1643 CG LEU A 102 1.342 2.496 -20.365 1.00 0.00 C ATOM 1644 CD1 LEU A 102 1.581 2.703 -21.861 1.00 0.00 C ATOM 1645 CD2 LEU A 102 0.988 1.044 -20.036 1.00 0.00 C ATOM 0 H LEU A 102 1.123 3.028 -17.367 1.00 0.00 H new ATOM 0 HA LEU A 102 3.105 1.185 -18.573 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.400 4.015 -19.292 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.433 2.911 -20.179 1.00 0.00 H new ATOM 0 HG LEU A 102 0.483 3.107 -20.089 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.710 2.361 -22.419 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.747 3.762 -22.060 1.00 0.00 H new ATOM 0 HD13 LEU A 102 2.457 2.134 -22.172 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.129 0.735 -20.631 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.838 0.401 -20.265 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.745 0.960 -18.977 1.00 0.00 H new ATOM 1657 N LEU A 103 5.034 1.933 -17.327 1.00 0.00 N ATOM 1658 CA LEU A 103 6.217 2.330 -16.582 1.00 0.00 C ATOM 1659 C LEU A 103 7.380 2.537 -17.554 1.00 0.00 C ATOM 1660 O LEU A 103 7.647 1.684 -18.399 1.00 0.00 O ATOM 1661 CB LEU A 103 6.515 1.320 -15.473 1.00 0.00 C ATOM 1662 CG LEU A 103 5.629 1.410 -14.228 1.00 0.00 C ATOM 1663 CD1 LEU A 103 5.554 0.061 -13.509 1.00 0.00 C ATOM 1664 CD2 LEU A 103 6.101 2.530 -13.298 1.00 0.00 C ATOM 0 H LEU A 103 5.081 0.999 -17.735 1.00 0.00 H new ATOM 0 HA LEU A 103 6.049 3.282 -16.078 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.423 0.316 -15.888 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.553 1.444 -15.165 1.00 0.00 H new ATOM 0 HG LEU A 103 4.617 1.661 -14.547 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.918 0.153 -12.628 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.135 -0.687 -14.182 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.555 -0.245 -13.204 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.454 2.572 -12.422 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.126 2.334 -12.983 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.059 3.483 -13.826 1.00 0.00 H new ATOM 1676 N LYS A 104 8.041 3.675 -17.402 1.00 0.00 N ATOM 1677 CA LYS A 104 9.169 4.005 -18.254 1.00 0.00 C ATOM 1678 C LYS A 104 10.424 4.170 -17.393 1.00 0.00 C ATOM 1679 O LYS A 104 10.398 4.868 -16.381 1.00 0.00 O ATOM 1680 CB LYS A 104 8.851 5.229 -19.115 1.00 0.00 C ATOM 1681 CG LYS A 104 10.021 5.568 -20.042 1.00 0.00 C ATOM 1682 CD LYS A 104 9.808 4.972 -21.436 1.00 0.00 C ATOM 1683 CE LYS A 104 9.942 6.047 -22.516 1.00 0.00 C ATOM 1684 NZ LYS A 104 8.638 6.278 -23.180 1.00 0.00 N ATOM 0 H LYS A 104 7.816 4.380 -16.700 1.00 0.00 H new ATOM 0 HA LYS A 104 9.366 3.193 -18.954 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.956 5.038 -19.708 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.632 6.082 -18.473 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.128 6.650 -20.118 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.949 5.185 -19.617 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.536 4.181 -21.613 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.820 4.515 -21.493 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.300 6.975 -22.071 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.683 5.740 -23.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.745 7.010 -23.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.312 5.394 -23.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.940 6.592 -22.475 1.00 0.00 H new ATOM 1697 N LEU A 105 11.491 3.514 -17.825 1.00 0.00 N ATOM 1698 CA LEU A 105 12.752 3.578 -17.106 1.00 0.00 C ATOM 1699 C LEU A 105 13.763 4.377 -17.930 1.00 0.00 C ATOM 1700 O LEU A 105 14.037 4.039 -19.081 1.00 0.00 O ATOM 1701 CB LEU A 105 13.230 2.172 -16.738 1.00 0.00 C ATOM 1702 CG LEU A 105 14.536 2.095 -15.944 1.00 0.00 C ATOM 1703 CD1 LEU A 105 14.493 3.021 -14.726 1.00 0.00 C ATOM 1704 CD2 LEU A 105 14.857 0.651 -15.556 1.00 0.00 C ATOM 0 H LEU A 105 11.508 2.935 -18.665 1.00 0.00 H new ATOM 0 HA LEU A 105 12.626 4.104 -16.160 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.446 1.683 -16.159 1.00 0.00 H new ATOM 0 HB3 LEU A 105 13.352 1.599 -17.657 1.00 0.00 H new ATOM 0 HG LEU A 105 15.346 2.444 -16.584 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.433 2.947 -14.179 1.00 0.00 H new ATOM 0 HD12 LEU A 105 14.345 4.049 -15.056 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.670 2.727 -14.074 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.790 0.624 -14.993 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.050 0.252 -14.941 1.00 0.00 H new ATOM 0 HD23 LEU A 105 14.960 0.046 -16.457 1.00 0.00 H new ATOM 1716 N LEU A 106 14.291 5.421 -17.309 1.00 0.00 N ATOM 1717 CA LEU A 106 15.266 6.271 -17.971 1.00 0.00 C ATOM 1718 C LEU A 106 16.654 5.636 -17.851 1.00 0.00 C ATOM 1719 O LEU A 106 16.970 5.013 -16.839 1.00 0.00 O ATOM 1720 CB LEU A 106 15.194 7.697 -17.423 1.00 0.00 C ATOM 1721 CG LEU A 106 13.908 8.469 -17.730 1.00 0.00 C ATOM 1722 CD1 LEU A 106 13.619 8.477 -19.232 1.00 0.00 C ATOM 1723 CD2 LEU A 106 12.732 7.918 -16.921 1.00 0.00 C ATOM 0 H LEU A 106 14.062 5.698 -16.354 1.00 0.00 H new ATOM 0 HA LEU A 106 15.041 6.351 -19.035 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.320 7.656 -16.341 1.00 0.00 H new ATOM 0 HB3 LEU A 106 16.037 8.261 -17.821 1.00 0.00 H new ATOM 0 HG LEU A 106 14.050 9.506 -17.425 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.700 9.032 -19.423 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.446 8.952 -19.759 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.504 7.452 -19.586 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.831 8.484 -17.158 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.578 6.868 -17.172 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.948 8.009 -15.857 1.00 0.00 H new