USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=17 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 Single : A 14 HIS : no HD1:sc= -22! C(o=-22!,f=-30!) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -1.19 F(o=-3.7!,f=-1.2) USER MOD Single : A 19 GLN : amide:sc= 0.0493 X(o=0.049,f=0) USER MOD Single : A 23 TYR OH : rot 19:sc= -0.981! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 55:sc= 1.35 USER MOD Single : A 47 GLN : amide:sc= -1.91! C(o=-1.9!,f=-1.6!) USER MOD Single : A 48 GLN :FLIP amide:sc= -10.4! C(o=-11!,f=-10!) USER MOD Single : A 50 GLN : amide:sc= -0.185 X(o=-0.18,f=0) USER MOD Single : A 65 SER OG : rot 61:sc= 1.1 USER MOD Single : A 66 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.97) USER MOD Single : A 70 MET CE :methyl -144:sc= -0.241 (180deg=-1.37!) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.102 F(o=-1,f=-0.1) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -134:sc= -1.01 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc=-0.00899 X(o=-0.009,f=-0.041) USER MOD Single : A 83 ASN :FLIP amide:sc= 1.13 F(o=-0.093,f=1.1) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 90 GLN : amide:sc= -0.0636 X(o=-0.064,f=-0.052) USER MOD Single : A 91 HIS :FLIP no HD1:sc= -16.3! C(o=-21!,f=-16!) USER MOD Single : A 92 HIS :FLIP no HE2:sc= -4.76! C(o=-6.8!,f=-4.8!) USER MOD Single : A 94 MET CE :methyl -124:sc= -5.89! (180deg=-12.7!) USER MOD Single : A 99 GLN :FLIP amide:sc= -0.441 F(o=-1.2,f=-0.44) USER MOD Single : A 104 LYS NZ :NH3+ -141:sc= -0.0948 (180deg=-0.345) USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 10 -6.936 3.713 -7.581 1.00 0.00 N ATOM 106 CA ALA A 10 -5.566 4.021 -7.206 1.00 0.00 C ATOM 107 C ALA A 10 -4.638 2.927 -7.738 1.00 0.00 C ATOM 108 O ALA A 10 -5.015 1.757 -7.785 1.00 0.00 O ATOM 109 CB ALA A 10 -5.475 4.175 -5.686 1.00 0.00 C ATOM 0 HA ALA A 10 -5.250 4.965 -7.649 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.448 4.406 -5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.130 4.984 -5.362 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.782 3.245 -5.207 1.00 0.00 H new ATOM 115 N PRO A 11 -3.411 3.358 -8.135 1.00 0.00 N ATOM 116 CA PRO A 11 -2.426 2.429 -8.663 1.00 0.00 C ATOM 117 C PRO A 11 -1.808 1.590 -7.541 1.00 0.00 C ATOM 118 O PRO A 11 -2.077 1.826 -6.364 1.00 0.00 O ATOM 119 CB PRO A 11 -1.410 3.299 -9.382 1.00 0.00 C ATOM 120 CG PRO A 11 -1.607 4.705 -8.840 1.00 0.00 C ATOM 121 CD PRO A 11 -2.930 4.736 -8.092 1.00 0.00 C ATOM 0 HA PRO A 11 -2.860 1.699 -9.347 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.395 2.948 -9.197 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.565 3.271 -10.460 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.787 4.976 -8.176 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.612 5.430 -9.654 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.797 5.077 -7.065 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.637 5.417 -8.565 1.00 0.00 H new ATOM 129 N PRO A 12 -0.970 0.603 -7.957 1.00 0.00 N ATOM 130 CA PRO A 12 -0.311 -0.272 -7.002 1.00 0.00 C ATOM 131 C PRO A 12 0.836 0.453 -6.297 1.00 0.00 C ATOM 132 O PRO A 12 1.928 0.580 -6.850 1.00 0.00 O ATOM 133 CB PRO A 12 0.153 -1.467 -7.818 1.00 0.00 C ATOM 134 CG PRO A 12 0.150 -1.008 -9.268 1.00 0.00 C ATOM 135 CD PRO A 12 -0.630 0.293 -9.343 1.00 0.00 C ATOM 0 HA PRO A 12 -0.973 -0.591 -6.196 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.149 -1.786 -7.511 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.512 -2.319 -7.677 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.170 -0.863 -9.625 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.306 -1.764 -9.907 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.033 1.087 -9.791 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.525 0.183 -9.955 1.00 0.00 H new ATOM 143 N ASP A 13 0.552 0.909 -5.086 1.00 0.00 N ATOM 144 CA ASP A 13 1.546 1.618 -4.300 1.00 0.00 C ATOM 145 C ASP A 13 2.873 0.858 -4.359 1.00 0.00 C ATOM 146 O ASP A 13 3.939 1.447 -4.186 1.00 0.00 O ATOM 147 CB ASP A 13 1.123 1.715 -2.832 1.00 0.00 C ATOM 148 CG ASP A 13 2.252 2.041 -1.854 1.00 0.00 C ATOM 149 OD1 ASP A 13 2.685 1.183 -1.070 1.00 0.00 O ATOM 150 OD2 ASP A 13 2.696 3.251 -1.916 1.00 0.00 O ATOM 0 H ASP A 13 -0.354 0.801 -4.630 1.00 0.00 H new ATOM 0 HA ASP A 13 1.648 2.622 -4.713 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.352 2.480 -2.742 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.669 0.769 -2.537 1.00 0.00 H new ATOM 156 N HIS A 14 2.764 -0.440 -4.604 1.00 0.00 N ATOM 157 CA HIS A 14 3.941 -1.286 -4.689 1.00 0.00 C ATOM 158 C HIS A 14 3.613 -2.543 -5.498 1.00 0.00 C ATOM 159 O HIS A 14 2.487 -3.036 -5.456 1.00 0.00 O ATOM 160 CB HIS A 14 4.485 -1.605 -3.294 1.00 0.00 C ATOM 161 CG HIS A 14 3.925 -2.872 -2.692 1.00 0.00 C ATOM 162 ND1 HIS A 14 3.416 -2.929 -1.406 1.00 0.00 N ATOM 163 CD2 HIS A 14 3.800 -4.127 -3.212 1.00 0.00 C ATOM 164 CE1 HIS A 14 3.006 -4.168 -1.174 1.00 0.00 C ATOM 165 NE2 HIS A 14 3.245 -4.908 -2.294 1.00 0.00 N ATOM 0 H HIS A 14 1.878 -0.926 -4.746 1.00 0.00 H new ATOM 0 HA HIS A 14 4.736 -0.755 -5.213 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.570 -1.690 -3.349 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.264 -0.770 -2.629 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.102 -4.433 -4.203 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.561 -4.528 -0.258 1.00 0.00 H new ATOM 0 HE2 HIS A 14 3.032 -5.899 -2.408 1.00 0.00 H new ATOM 173 N LEU A 15 4.617 -3.026 -6.214 1.00 0.00 N ATOM 174 CA LEU A 15 4.449 -4.215 -7.032 1.00 0.00 C ATOM 175 C LEU A 15 5.520 -5.242 -6.659 1.00 0.00 C ATOM 176 O LEU A 15 6.638 -4.874 -6.300 1.00 0.00 O ATOM 177 CB LEU A 15 4.441 -3.847 -8.517 1.00 0.00 C ATOM 178 CG LEU A 15 3.188 -3.129 -9.024 1.00 0.00 C ATOM 179 CD1 LEU A 15 3.447 -2.462 -10.376 1.00 0.00 C ATOM 180 CD2 LEU A 15 1.993 -4.083 -9.076 1.00 0.00 C ATOM 0 H LEU A 15 5.550 -2.616 -6.245 1.00 0.00 H new ATOM 0 HA LEU A 15 3.482 -4.678 -6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.305 -3.214 -8.719 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.572 -4.760 -9.098 1.00 0.00 H new ATOM 0 HG LEU A 15 2.939 -2.338 -8.317 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.541 -1.959 -10.713 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.250 -1.732 -10.274 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.735 -3.219 -11.106 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.116 -3.548 -9.439 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.217 -4.911 -9.748 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.793 -4.471 -8.077 1.00 0.00 H new ATOM 192 N TRP A 16 5.141 -6.507 -6.756 1.00 0.00 N ATOM 193 CA TRP A 16 6.055 -7.590 -6.433 1.00 0.00 C ATOM 194 C TRP A 16 6.020 -8.597 -7.584 1.00 0.00 C ATOM 195 O TRP A 16 5.014 -9.274 -7.790 1.00 0.00 O ATOM 196 CB TRP A 16 5.708 -8.214 -5.080 1.00 0.00 C ATOM 197 CG TRP A 16 6.017 -7.315 -3.882 1.00 0.00 C ATOM 198 CD1 TRP A 16 7.079 -6.519 -3.699 1.00 0.00 C ATOM 199 CD2 TRP A 16 5.204 -7.149 -2.700 1.00 0.00 C ATOM 200 NE1 TRP A 16 7.013 -5.856 -2.491 1.00 0.00 N ATOM 201 CE2 TRP A 16 5.837 -6.251 -1.864 1.00 0.00 C ATOM 202 CE3 TRP A 16 3.977 -7.737 -2.349 1.00 0.00 C ATOM 203 CZ2 TRP A 16 5.318 -5.862 -0.623 1.00 0.00 C ATOM 204 CZ3 TRP A 16 3.472 -7.339 -1.106 1.00 0.00 C ATOM 205 CH2 TRP A 16 4.096 -6.437 -0.253 1.00 0.00 C ATOM 0 H TRP A 16 4.213 -6.807 -7.054 1.00 0.00 H new ATOM 0 HA TRP A 16 7.074 -7.218 -6.328 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.647 -8.465 -5.069 1.00 0.00 H new ATOM 0 HB3 TRP A 16 6.258 -9.149 -4.971 1.00 0.00 H new ATOM 0 HD1 TRP A 16 7.886 -6.410 -4.409 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.701 -5.197 -2.125 1.00 0.00 H new ATOM 0 HE3 TRP A 16 3.464 -8.441 -2.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.832 -5.157 0.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.531 -7.763 -0.787 1.00 0.00 H new ATOM 0 HH2 TRP A 16 3.640 -6.180 0.692 1.00 0.00 H new ATOM 216 N VAL A 17 7.130 -8.665 -8.303 1.00 0.00 N ATOM 217 CA VAL A 17 7.240 -9.578 -9.428 1.00 0.00 C ATOM 218 C VAL A 17 7.310 -11.015 -8.909 1.00 0.00 C ATOM 219 O VAL A 17 8.233 -11.370 -8.177 1.00 0.00 O ATOM 220 CB VAL A 17 8.440 -9.197 -10.297 1.00 0.00 C ATOM 221 CG1 VAL A 17 9.755 -9.524 -9.587 1.00 0.00 C ATOM 222 CG2 VAL A 17 8.368 -9.883 -11.662 1.00 0.00 C ATOM 0 H VAL A 17 7.962 -8.102 -8.128 1.00 0.00 H new ATOM 0 HA VAL A 17 6.359 -9.505 -10.065 1.00 0.00 H new ATOM 0 HB VAL A 17 8.407 -8.120 -10.462 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.593 -9.244 -10.226 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.811 -8.969 -8.651 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.800 -10.593 -9.378 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.233 -9.595 -12.260 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.365 -10.964 -11.526 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.455 -9.579 -12.174 1.00 0.00 H new ATOM 232 N HIS A 18 6.321 -11.803 -9.307 1.00 0.00 N ATOM 233 CA HIS A 18 6.260 -13.194 -8.890 1.00 0.00 C ATOM 234 C HIS A 18 6.426 -14.102 -10.110 1.00 0.00 C ATOM 235 O HIS A 18 7.000 -15.185 -10.008 1.00 0.00 O ATOM 236 CB HIS A 18 4.970 -13.472 -8.115 1.00 0.00 C ATOM 237 CG HIS A 18 4.686 -14.940 -7.903 1.00 0.00 C ATOM 238 ND1 HIS A 18 4.648 -15.978 -8.789 1.00 0.00 N flip ATOM 239 CD2 HIS A 18 4.397 -15.476 -6.660 1.00 0.00 C flip ATOM 240 CE1 HIS A 18 4.353 -17.087 -8.123 1.00 0.00 C flip ATOM 241 NE2 HIS A 18 4.197 -16.778 -6.803 1.00 0.00 N flip ATOM 0 H HIS A 18 5.557 -11.505 -9.913 1.00 0.00 H new ATOM 0 HA HIS A 18 7.080 -13.409 -8.205 1.00 0.00 H new ATOM 0 HB2 HIS A 18 5.028 -12.980 -7.144 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.133 -13.024 -8.650 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.344 -14.927 -5.732 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.253 -18.072 -8.554 1.00 0.00 H new ATOM 0 HE2 HIS A 18 3.967 -17.434 -6.057 1.00 0.00 H new ATOM 249 N GLN A 19 5.914 -13.628 -11.236 1.00 0.00 N ATOM 250 CA GLN A 19 5.998 -14.384 -12.474 1.00 0.00 C ATOM 251 C GLN A 19 6.532 -13.498 -13.601 1.00 0.00 C ATOM 252 O GLN A 19 6.407 -12.275 -13.547 1.00 0.00 O ATOM 253 CB GLN A 19 4.641 -14.983 -12.844 1.00 0.00 C ATOM 254 CG GLN A 19 4.480 -16.385 -12.253 1.00 0.00 C ATOM 255 CD GLN A 19 4.078 -17.393 -13.332 1.00 0.00 C ATOM 256 OE1 GLN A 19 2.910 -17.603 -13.617 1.00 0.00 O ATOM 257 NE2 GLN A 19 5.107 -18.002 -13.914 1.00 0.00 N ATOM 0 H GLN A 19 5.439 -12.729 -11.317 1.00 0.00 H new ATOM 0 HA GLN A 19 6.694 -15.210 -12.326 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.843 -14.337 -12.479 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.543 -15.028 -13.929 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.416 -16.697 -11.789 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.725 -16.368 -11.467 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.060 -17.779 -13.627 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.943 -18.692 -14.647 1.00 0.00 H new ATOM 266 N GLU A 20 7.116 -14.149 -14.596 1.00 0.00 N ATOM 267 CA GLU A 20 7.669 -13.436 -15.735 1.00 0.00 C ATOM 268 C GLU A 20 6.640 -12.451 -16.295 1.00 0.00 C ATOM 269 O GLU A 20 5.629 -12.860 -16.863 1.00 0.00 O ATOM 270 CB GLU A 20 8.140 -14.410 -16.816 1.00 0.00 C ATOM 271 CG GLU A 20 7.119 -15.529 -17.028 1.00 0.00 C ATOM 272 CD GLU A 20 7.549 -16.809 -16.307 1.00 0.00 C ATOM 273 OE1 GLU A 20 7.556 -16.849 -15.068 1.00 0.00 O ATOM 274 OE2 GLU A 20 7.883 -17.785 -17.081 1.00 0.00 O ATOM 0 H GLU A 20 7.218 -15.163 -14.637 1.00 0.00 H new ATOM 0 HA GLU A 20 8.538 -12.871 -15.398 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.296 -13.873 -17.752 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.101 -14.839 -16.531 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.144 -15.210 -16.660 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.008 -15.728 -18.094 1.00 0.00 H new ATOM 282 N GLY A 21 6.934 -11.172 -16.114 1.00 0.00 N ATOM 283 CA GLY A 21 6.047 -10.126 -16.593 1.00 0.00 C ATOM 284 C GLY A 21 4.780 -10.047 -15.739 1.00 0.00 C ATOM 285 O GLY A 21 3.764 -9.510 -16.178 1.00 0.00 O ATOM 0 H GLY A 21 7.774 -10.836 -15.642 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.565 -9.167 -16.571 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.778 -10.320 -17.631 1.00 0.00 H new ATOM 289 N ILE A 22 4.882 -10.589 -14.535 1.00 0.00 N ATOM 290 CA ILE A 22 3.758 -10.586 -13.615 1.00 0.00 C ATOM 291 C ILE A 22 4.181 -9.926 -12.301 1.00 0.00 C ATOM 292 O ILE A 22 5.284 -10.162 -11.811 1.00 0.00 O ATOM 293 CB ILE A 22 3.204 -12.001 -13.441 1.00 0.00 C ATOM 294 CG1 ILE A 22 2.181 -12.327 -14.531 1.00 0.00 C ATOM 295 CG2 ILE A 22 2.627 -12.196 -12.038 1.00 0.00 C ATOM 296 CD1 ILE A 22 2.863 -12.933 -15.760 1.00 0.00 C ATOM 0 H ILE A 22 5.726 -11.034 -14.175 1.00 0.00 H new ATOM 0 HA ILE A 22 2.937 -9.994 -14.020 1.00 0.00 H new ATOM 0 HB ILE A 22 4.028 -12.706 -13.551 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.439 -13.024 -14.142 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.647 -11.421 -14.817 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.240 -13.210 -11.941 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.410 -12.034 -11.297 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.819 -11.483 -11.874 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.113 -13.155 -16.519 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.587 -12.224 -16.161 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.375 -13.852 -15.476 1.00 0.00 H new ATOM 308 N TYR A 23 3.282 -9.112 -11.768 1.00 0.00 N ATOM 309 CA TYR A 23 3.548 -8.416 -10.520 1.00 0.00 C ATOM 310 C TYR A 23 2.350 -8.513 -9.573 1.00 0.00 C ATOM 311 O TYR A 23 1.212 -8.654 -10.017 1.00 0.00 O ATOM 312 CB TYR A 23 3.771 -6.950 -10.894 1.00 0.00 C ATOM 313 CG TYR A 23 5.224 -6.607 -11.228 1.00 0.00 C ATOM 314 CD1 TYR A 23 6.114 -6.312 -10.215 1.00 0.00 C ATOM 315 CD2 TYR A 23 5.645 -6.592 -12.543 1.00 0.00 C ATOM 316 CE1 TYR A 23 7.482 -5.989 -10.530 1.00 0.00 C ATOM 317 CE2 TYR A 23 7.012 -6.269 -12.857 1.00 0.00 C ATOM 318 CZ TYR A 23 7.863 -5.984 -11.835 1.00 0.00 C ATOM 319 OH TYR A 23 9.155 -5.679 -12.132 1.00 0.00 O ATOM 0 H TYR A 23 2.368 -8.919 -12.178 1.00 0.00 H new ATOM 0 HA TYR A 23 4.408 -8.853 -10.012 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.144 -6.705 -11.752 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.441 -6.321 -10.068 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.785 -6.323 -9.186 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.949 -6.823 -13.336 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.189 -5.756 -9.747 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.354 -6.253 -13.881 1.00 0.00 H new ATOM 0 HH TYR A 23 9.710 -5.794 -11.333 1.00 0.00 H new ATOM 329 N ARG A 24 2.648 -8.432 -8.284 1.00 0.00 N ATOM 330 CA ARG A 24 1.611 -8.508 -7.270 1.00 0.00 C ATOM 331 C ARG A 24 1.402 -7.139 -6.619 1.00 0.00 C ATOM 332 O ARG A 24 2.364 -6.482 -6.226 1.00 0.00 O ATOM 333 CB ARG A 24 1.970 -9.530 -6.189 1.00 0.00 C ATOM 334 CG ARG A 24 0.772 -10.418 -5.853 1.00 0.00 C ATOM 335 CD ARG A 24 1.214 -11.859 -5.589 1.00 0.00 C ATOM 336 NE ARG A 24 1.847 -11.958 -4.255 1.00 0.00 N ATOM 337 CZ ARG A 24 3.181 -11.948 -4.048 1.00 0.00 C ATOM 338 NH1 ARG A 24 4.035 -11.844 -5.088 1.00 0.00 N ATOM 339 NH2 ARG A 24 3.637 -12.042 -2.813 1.00 0.00 N ATOM 0 H ARG A 24 3.593 -8.314 -7.919 1.00 0.00 H new ATOM 0 HA ARG A 24 0.691 -8.824 -7.761 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.801 -10.148 -6.530 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.306 -9.012 -5.291 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.258 -10.025 -4.976 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.058 -10.398 -6.676 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.355 -12.527 -5.643 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.916 -12.179 -6.359 1.00 0.00 H new ATOM 0 HE ARG A 24 1.237 -12.039 -3.441 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.674 -11.772 -6.039 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.041 -11.837 -4.923 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.984 -12.121 -2.033 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.642 -12.036 -2.639 1.00 0.00 H new ATOM 352 N ASP A 25 0.139 -6.750 -6.526 1.00 0.00 N ATOM 353 CA ASP A 25 -0.208 -5.472 -5.929 1.00 0.00 C ATOM 354 C ASP A 25 -0.161 -5.596 -4.405 1.00 0.00 C ATOM 355 O ASP A 25 0.116 -6.671 -3.875 1.00 0.00 O ATOM 356 CB ASP A 25 -1.623 -5.045 -6.325 1.00 0.00 C ATOM 357 CG ASP A 25 -1.902 -3.545 -6.208 1.00 0.00 C ATOM 358 OD1 ASP A 25 -1.249 -2.833 -5.432 1.00 0.00 O ATOM 359 OD2 ASP A 25 -2.848 -3.106 -6.967 1.00 0.00 O ATOM 0 H ASP A 25 -0.657 -7.298 -6.854 1.00 0.00 H new ATOM 0 HA ASP A 25 0.506 -4.729 -6.285 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.805 -5.354 -7.354 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.337 -5.582 -5.700 1.00 0.00 H new ATOM 365 N GLU A 26 -0.436 -4.481 -3.743 1.00 0.00 N ATOM 366 CA GLU A 26 -0.428 -4.453 -2.290 1.00 0.00 C ATOM 367 C GLU A 26 -1.837 -4.696 -1.747 1.00 0.00 C ATOM 368 O GLU A 26 -2.131 -4.364 -0.599 1.00 0.00 O ATOM 369 CB GLU A 26 0.138 -3.129 -1.771 1.00 0.00 C ATOM 370 CG GLU A 26 0.143 -3.097 -0.242 1.00 0.00 C ATOM 371 CD GLU A 26 1.257 -2.190 0.284 1.00 0.00 C ATOM 372 OE1 GLU A 26 1.359 -1.027 -0.135 1.00 0.00 O ATOM 373 OE2 GLU A 26 2.033 -2.731 1.160 1.00 0.00 O ATOM 0 H GLU A 26 -0.666 -3.591 -4.186 1.00 0.00 H new ATOM 0 HA GLU A 26 0.221 -5.253 -1.934 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.153 -2.992 -2.144 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.457 -2.300 -2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.822 -2.742 0.121 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.278 -4.107 0.146 1.00 0.00 H new ATOM 381 N TYR A 27 -2.674 -5.273 -2.597 1.00 0.00 N ATOM 382 CA TYR A 27 -4.045 -5.565 -2.217 1.00 0.00 C ATOM 383 C TYR A 27 -4.518 -6.882 -2.836 1.00 0.00 C ATOM 384 O TYR A 27 -5.717 -7.097 -3.005 1.00 0.00 O ATOM 385 CB TYR A 27 -4.891 -4.420 -2.778 1.00 0.00 C ATOM 386 CG TYR A 27 -5.045 -3.235 -1.824 1.00 0.00 C ATOM 387 CD1 TYR A 27 -5.734 -3.389 -0.638 1.00 0.00 C ATOM 388 CD2 TYR A 27 -4.497 -2.011 -2.148 1.00 0.00 C ATOM 389 CE1 TYR A 27 -5.880 -2.273 0.262 1.00 0.00 C ATOM 390 CE2 TYR A 27 -4.642 -0.895 -1.249 1.00 0.00 C ATOM 391 CZ TYR A 27 -5.326 -1.082 -0.089 1.00 0.00 C ATOM 392 OH TYR A 27 -5.464 -0.028 0.761 1.00 0.00 O ATOM 0 H TYR A 27 -2.428 -5.546 -3.549 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.131 -5.658 -1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.440 -4.070 -3.706 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.880 -4.802 -3.029 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.164 -4.347 -0.384 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.959 -1.890 -3.076 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.417 -2.380 1.193 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.217 0.068 -1.491 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.018 0.758 0.383 1.00 0.00 H new ATOM 402 N GLN A 28 -3.551 -7.729 -3.157 1.00 0.00 N ATOM 403 CA GLN A 28 -3.852 -9.018 -3.753 1.00 0.00 C ATOM 404 C GLN A 28 -4.320 -8.838 -5.198 1.00 0.00 C ATOM 405 O GLN A 28 -5.293 -9.461 -5.622 1.00 0.00 O ATOM 406 CB GLN A 28 -4.897 -9.774 -2.928 1.00 0.00 C ATOM 407 CG GLN A 28 -4.279 -10.998 -2.250 1.00 0.00 C ATOM 408 CD GLN A 28 -4.763 -12.292 -2.911 1.00 0.00 C ATOM 409 OE1 GLN A 28 -4.447 -12.593 -4.051 1.00 0.00 O ATOM 410 NE2 GLN A 28 -5.543 -13.037 -2.133 1.00 0.00 N ATOM 0 H GLN A 28 -2.558 -7.547 -3.015 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.940 -9.615 -3.758 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.319 -9.110 -2.173 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.718 -10.087 -3.573 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.192 -10.940 -2.307 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.543 -11.005 -1.192 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.768 -12.725 -1.188 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.916 -13.920 -2.481 1.00 0.00 H new ATOM 419 N ARG A 29 -3.607 -7.983 -5.916 1.00 0.00 N ATOM 420 CA ARG A 29 -3.937 -7.714 -7.305 1.00 0.00 C ATOM 421 C ARG A 29 -2.740 -8.029 -8.205 1.00 0.00 C ATOM 422 O ARG A 29 -1.684 -7.411 -8.080 1.00 0.00 O ATOM 423 CB ARG A 29 -4.342 -6.252 -7.502 1.00 0.00 C ATOM 424 CG ARG A 29 -5.840 -6.133 -7.790 1.00 0.00 C ATOM 425 CD ARG A 29 -6.523 -5.220 -6.769 1.00 0.00 C ATOM 426 NE ARG A 29 -7.917 -5.666 -6.545 1.00 0.00 N ATOM 427 CZ ARG A 29 -8.953 -5.340 -7.347 1.00 0.00 C ATOM 428 NH1 ARG A 29 -8.762 -4.560 -8.432 1.00 0.00 N ATOM 429 NH2 ARG A 29 -10.157 -5.793 -7.052 1.00 0.00 N ATOM 0 H ARG A 29 -2.802 -7.467 -5.562 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.778 -8.352 -7.575 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.093 -5.678 -6.609 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.774 -5.821 -8.327 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.991 -5.738 -8.795 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.299 -7.121 -7.764 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.972 -5.235 -5.829 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.515 -4.190 -7.126 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.106 -6.256 -5.735 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.829 -4.212 -8.652 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.551 -4.319 -9.032 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.294 -6.380 -6.229 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.951 -5.556 -7.647 1.00 0.00 H new ATOM 442 N THR A 30 -2.945 -8.992 -9.092 1.00 0.00 N ATOM 443 CA THR A 30 -1.896 -9.398 -10.012 1.00 0.00 C ATOM 444 C THR A 30 -1.807 -8.420 -11.186 1.00 0.00 C ATOM 445 O THR A 30 -2.828 -7.947 -11.683 1.00 0.00 O ATOM 446 CB THR A 30 -2.176 -10.839 -10.443 1.00 0.00 C ATOM 447 OG1 THR A 30 -3.591 -10.883 -10.609 1.00 0.00 O ATOM 448 CG2 THR A 30 -1.901 -11.848 -9.326 1.00 0.00 C ATOM 0 H THR A 30 -3.822 -9.503 -9.193 1.00 0.00 H new ATOM 0 HA THR A 30 -0.918 -9.371 -9.532 1.00 0.00 H new ATOM 0 HB THR A 30 -1.565 -11.083 -11.312 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.869 -10.184 -11.238 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.116 -12.855 -9.684 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.855 -11.784 -9.028 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.537 -11.625 -8.469 1.00 0.00 H new ATOM 456 N TRP A 31 -0.577 -8.144 -11.593 1.00 0.00 N ATOM 457 CA TRP A 31 -0.342 -7.231 -12.698 1.00 0.00 C ATOM 458 C TRP A 31 0.489 -7.969 -13.751 1.00 0.00 C ATOM 459 O TRP A 31 1.271 -8.857 -13.419 1.00 0.00 O ATOM 460 CB TRP A 31 0.320 -5.940 -12.212 1.00 0.00 C ATOM 461 CG TRP A 31 -0.603 -5.041 -11.387 1.00 0.00 C ATOM 462 CD1 TRP A 31 -1.011 -5.217 -10.122 1.00 0.00 C ATOM 463 CD2 TRP A 31 -1.221 -3.812 -11.822 1.00 0.00 C ATOM 464 NE1 TRP A 31 -1.842 -4.194 -9.711 1.00 0.00 N ATOM 465 CE2 TRP A 31 -1.974 -3.312 -10.779 1.00 0.00 C ATOM 466 CE3 TRP A 31 -1.146 -3.143 -13.056 1.00 0.00 C ATOM 467 CZ2 TRP A 31 -2.710 -2.125 -10.863 1.00 0.00 C ATOM 468 CZ3 TRP A 31 -1.888 -1.957 -13.125 1.00 0.00 C ATOM 469 CH2 TRP A 31 -2.650 -1.442 -12.084 1.00 0.00 C ATOM 0 H TRP A 31 0.268 -8.537 -11.177 1.00 0.00 H new ATOM 0 HA TRP A 31 -1.284 -6.922 -13.150 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.193 -6.195 -11.612 1.00 0.00 H new ATOM 0 HB3 TRP A 31 0.679 -5.380 -13.076 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -0.725 -6.054 -9.502 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.279 -4.102 -8.794 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.562 -3.514 -13.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -3.292 -1.756 -10.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.866 -1.404 -14.053 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.194 -0.518 -12.216 1.00 0.00 H new ATOM 480 N VAL A 32 0.290 -7.572 -15.000 1.00 0.00 N ATOM 481 CA VAL A 32 1.009 -8.184 -16.103 1.00 0.00 C ATOM 482 C VAL A 32 1.957 -7.155 -16.722 1.00 0.00 C ATOM 483 O VAL A 32 1.584 -6.443 -17.653 1.00 0.00 O ATOM 484 CB VAL A 32 0.020 -8.769 -17.114 1.00 0.00 C ATOM 485 CG1 VAL A 32 0.619 -8.785 -18.521 1.00 0.00 C ATOM 486 CG2 VAL A 32 -0.430 -10.170 -16.692 1.00 0.00 C ATOM 0 H VAL A 32 -0.359 -6.834 -15.272 1.00 0.00 H new ATOM 0 HA VAL A 32 1.618 -9.015 -15.746 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.860 -8.126 -17.133 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.104 -9.205 -19.220 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.866 -7.767 -18.823 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.523 -9.394 -18.525 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.132 -10.563 -17.427 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.437 -10.828 -16.630 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.916 -10.118 -15.718 1.00 0.00 H new ATOM 496 N ALA A 33 3.165 -7.107 -16.179 1.00 0.00 N ATOM 497 CA ALA A 33 4.168 -6.176 -16.665 1.00 0.00 C ATOM 498 C ALA A 33 4.839 -6.761 -17.910 1.00 0.00 C ATOM 499 O ALA A 33 5.541 -7.767 -17.827 1.00 0.00 O ATOM 500 CB ALA A 33 5.171 -5.877 -15.549 1.00 0.00 C ATOM 0 H ALA A 33 3.471 -7.699 -15.407 1.00 0.00 H new ATOM 0 HA ALA A 33 3.707 -5.230 -16.951 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.924 -5.178 -15.914 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.649 -5.437 -14.699 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.656 -6.802 -15.238 1.00 0.00 H new ATOM 506 N VAL A 34 4.599 -6.104 -19.035 1.00 0.00 N ATOM 507 CA VAL A 34 5.171 -6.547 -20.296 1.00 0.00 C ATOM 508 C VAL A 34 6.200 -5.519 -20.773 1.00 0.00 C ATOM 509 O VAL A 34 5.837 -4.436 -21.227 1.00 0.00 O ATOM 510 CB VAL A 34 4.058 -6.795 -21.317 1.00 0.00 C ATOM 511 CG1 VAL A 34 3.178 -7.973 -20.893 1.00 0.00 C ATOM 512 CG2 VAL A 34 3.220 -5.533 -21.533 1.00 0.00 C ATOM 0 H VAL A 34 4.017 -5.269 -19.100 1.00 0.00 H new ATOM 0 HA VAL A 34 5.693 -7.495 -20.166 1.00 0.00 H new ATOM 0 HB VAL A 34 4.526 -7.052 -22.267 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.395 -8.128 -21.635 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.788 -8.873 -20.815 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.723 -7.758 -19.926 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.437 -5.737 -22.263 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.767 -5.231 -20.589 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.859 -4.731 -21.901 1.00 0.00 H new ATOM 522 N VAL A 35 7.464 -5.897 -20.652 1.00 0.00 N ATOM 523 CA VAL A 35 8.549 -5.022 -21.064 1.00 0.00 C ATOM 524 C VAL A 35 8.394 -4.691 -22.550 1.00 0.00 C ATOM 525 O VAL A 35 8.463 -5.579 -23.398 1.00 0.00 O ATOM 526 CB VAL A 35 9.896 -5.667 -20.732 1.00 0.00 C ATOM 527 CG1 VAL A 35 9.998 -7.067 -21.340 1.00 0.00 C ATOM 528 CG2 VAL A 35 11.056 -4.783 -21.194 1.00 0.00 C ATOM 0 H VAL A 35 7.761 -6.797 -20.275 1.00 0.00 H new ATOM 0 HA VAL A 35 8.511 -4.081 -20.515 1.00 0.00 H new ATOM 0 HB VAL A 35 9.962 -5.767 -19.649 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.965 -7.503 -21.089 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.202 -7.696 -20.941 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.900 -7.001 -22.424 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.002 -5.265 -20.946 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.995 -4.637 -22.272 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.999 -3.817 -20.693 1.00 0.00 H new ATOM 538 N GLU A 36 8.188 -3.411 -22.820 1.00 0.00 N ATOM 539 CA GLU A 36 8.025 -2.951 -24.189 1.00 0.00 C ATOM 540 C GLU A 36 9.190 -2.043 -24.587 1.00 0.00 C ATOM 541 O GLU A 36 9.054 -0.821 -24.593 1.00 0.00 O ATOM 542 CB GLU A 36 6.685 -2.236 -24.370 1.00 0.00 C ATOM 543 CG GLU A 36 5.659 -3.154 -25.037 1.00 0.00 C ATOM 544 CD GLU A 36 5.900 -3.243 -26.546 1.00 0.00 C ATOM 545 OE1 GLU A 36 5.044 -2.820 -27.337 1.00 0.00 O ATOM 546 OE2 GLU A 36 7.026 -3.771 -26.888 1.00 0.00 O ATOM 0 H GLU A 36 8.130 -2.677 -22.114 1.00 0.00 H new ATOM 0 HA GLU A 36 8.028 -3.820 -24.847 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.309 -1.909 -23.400 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.825 -1.341 -24.976 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.716 -4.150 -24.597 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.653 -2.779 -24.847 1.00 0.00 H new ATOM 611 N PHE A 41 14.122 3.417 -25.132 1.00 0.00 N ATOM 612 CA PHE A 41 13.845 3.450 -23.706 1.00 0.00 C ATOM 613 C PHE A 41 13.406 2.074 -23.201 1.00 0.00 C ATOM 614 O PHE A 41 13.378 1.109 -23.962 1.00 0.00 O ATOM 615 CB PHE A 41 12.705 4.447 -23.495 1.00 0.00 C ATOM 616 CG PHE A 41 13.171 5.882 -23.243 1.00 0.00 C ATOM 617 CD1 PHE A 41 13.921 6.171 -22.146 1.00 0.00 C ATOM 618 CD2 PHE A 41 12.834 6.869 -24.116 1.00 0.00 C ATOM 619 CE1 PHE A 41 14.353 7.503 -21.912 1.00 0.00 C ATOM 620 CE2 PHE A 41 13.267 8.201 -23.882 1.00 0.00 C ATOM 621 CZ PHE A 41 14.018 8.490 -22.785 1.00 0.00 C ATOM 0 HA PHE A 41 14.743 3.738 -23.159 1.00 0.00 H new ATOM 0 HB2 PHE A 41 12.059 4.435 -24.373 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.101 4.118 -22.649 1.00 0.00 H new ATOM 0 HD1 PHE A 41 14.188 5.387 -21.453 1.00 0.00 H new ATOM 0 HD2 PHE A 41 12.237 6.640 -24.987 1.00 0.00 H new ATOM 0 HE1 PHE A 41 14.948 7.732 -21.040 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.000 8.985 -24.575 1.00 0.00 H new ATOM 0 HZ PHE A 41 14.348 9.503 -22.608 1.00 0.00 H new ATOM 631 N LEU A 42 13.072 2.029 -21.920 1.00 0.00 N ATOM 632 CA LEU A 42 12.633 0.788 -21.304 1.00 0.00 C ATOM 633 C LEU A 42 11.286 1.014 -20.616 1.00 0.00 C ATOM 634 O LEU A 42 11.236 1.477 -19.477 1.00 0.00 O ATOM 635 CB LEU A 42 13.715 0.240 -20.372 1.00 0.00 C ATOM 636 CG LEU A 42 14.946 -0.361 -21.053 1.00 0.00 C ATOM 637 CD1 LEU A 42 14.593 -1.662 -21.776 1.00 0.00 C ATOM 638 CD2 LEU A 42 15.604 0.655 -21.991 1.00 0.00 C ATOM 0 H LEU A 42 13.096 2.832 -21.291 1.00 0.00 H new ATOM 0 HA LEU A 42 12.479 0.020 -22.062 1.00 0.00 H new ATOM 0 HB2 LEU A 42 14.044 1.046 -19.717 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.267 -0.524 -19.737 1.00 0.00 H new ATOM 0 HG LEU A 42 15.676 -0.609 -20.282 1.00 0.00 H new ATOM 0 HD11 LEU A 42 15.486 -2.068 -22.251 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.204 -2.384 -21.057 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.837 -1.463 -22.535 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.477 0.203 -22.463 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.891 0.956 -22.759 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.913 1.531 -21.420 1.00 0.00 H new ATOM 650 N ARG A 43 10.225 0.678 -21.336 1.00 0.00 N ATOM 651 CA ARG A 43 8.880 0.838 -20.809 1.00 0.00 C ATOM 652 C ARG A 43 8.279 -0.527 -20.466 1.00 0.00 C ATOM 653 O ARG A 43 8.366 -1.464 -21.258 1.00 0.00 O ATOM 654 CB ARG A 43 7.975 1.549 -21.816 1.00 0.00 C ATOM 655 CG ARG A 43 6.560 1.714 -21.259 1.00 0.00 C ATOM 656 CD ARG A 43 5.693 2.550 -22.204 1.00 0.00 C ATOM 657 NE ARG A 43 6.449 3.735 -22.667 1.00 0.00 N ATOM 658 CZ ARG A 43 6.181 4.405 -23.809 1.00 0.00 C ATOM 659 NH1 ARG A 43 5.170 4.011 -24.613 1.00 0.00 N ATOM 660 NH2 ARG A 43 6.922 5.451 -24.127 1.00 0.00 N ATOM 0 H ARG A 43 10.270 0.295 -22.280 1.00 0.00 H new ATOM 0 HA ARG A 43 8.947 1.446 -19.907 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.391 2.527 -22.057 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.940 0.979 -22.745 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.106 0.734 -21.114 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.604 2.193 -20.281 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.386 1.947 -23.059 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.783 2.865 -21.693 1.00 0.00 H new ATOM 0 HE ARG A 43 7.220 4.066 -22.088 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.602 3.202 -24.360 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.974 4.522 -25.474 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.683 5.742 -23.514 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.733 5.968 -24.986 1.00 0.00 H new ATOM 673 N ALA A 44 7.683 -0.594 -19.285 1.00 0.00 N ATOM 674 CA ALA A 44 7.065 -1.828 -18.829 1.00 0.00 C ATOM 675 C ALA A 44 5.571 -1.591 -18.598 1.00 0.00 C ATOM 676 O ALA A 44 5.183 -0.971 -17.610 1.00 0.00 O ATOM 677 CB ALA A 44 7.779 -2.320 -17.567 1.00 0.00 C ATOM 0 H ALA A 44 7.615 0.185 -18.630 1.00 0.00 H new ATOM 0 HA ALA A 44 7.162 -2.608 -19.585 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.316 -3.245 -17.224 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.830 -2.501 -17.791 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.700 -1.564 -16.786 1.00 0.00 H new ATOM 683 N ARG A 45 4.774 -2.098 -19.528 1.00 0.00 N ATOM 684 CA ARG A 45 3.331 -1.949 -19.438 1.00 0.00 C ATOM 685 C ARG A 45 2.760 -2.926 -18.409 1.00 0.00 C ATOM 686 O ARG A 45 2.754 -4.136 -18.632 1.00 0.00 O ATOM 687 CB ARG A 45 2.667 -2.200 -20.794 1.00 0.00 C ATOM 688 CG ARG A 45 1.146 -2.069 -20.690 1.00 0.00 C ATOM 689 CD ARG A 45 0.446 -3.176 -21.482 1.00 0.00 C ATOM 690 NE ARG A 45 1.210 -3.478 -22.713 1.00 0.00 N ATOM 691 CZ ARG A 45 0.889 -4.463 -23.580 1.00 0.00 C ATOM 692 NH1 ARG A 45 -0.184 -5.251 -23.356 1.00 0.00 N ATOM 693 NH2 ARG A 45 1.642 -4.644 -24.649 1.00 0.00 N ATOM 0 H ARG A 45 5.100 -2.612 -20.347 1.00 0.00 H new ATOM 0 HA ARG A 45 3.121 -0.926 -19.127 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.048 -1.489 -21.527 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.927 -3.196 -21.152 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.844 -2.118 -19.644 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.834 -1.095 -21.066 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.358 -4.073 -20.869 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.567 -2.866 -21.740 1.00 0.00 H new ATOM 0 HE ARG A 45 2.030 -2.907 -22.920 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.760 -5.105 -22.527 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.419 -5.992 -24.016 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.452 -4.045 -24.810 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.414 -5.383 -25.314 1.00 0.00 H new ATOM 706 N VAL A 46 2.293 -2.365 -17.303 1.00 0.00 N ATOM 707 CA VAL A 46 1.720 -3.171 -16.238 1.00 0.00 C ATOM 708 C VAL A 46 0.197 -3.188 -16.380 1.00 0.00 C ATOM 709 O VAL A 46 -0.460 -2.168 -16.179 1.00 0.00 O ATOM 710 CB VAL A 46 2.189 -2.651 -14.877 1.00 0.00 C ATOM 711 CG1 VAL A 46 2.291 -3.790 -13.861 1.00 0.00 C ATOM 712 CG2 VAL A 46 3.520 -1.907 -15.004 1.00 0.00 C ATOM 0 H VAL A 46 2.300 -1.361 -17.121 1.00 0.00 H new ATOM 0 HA VAL A 46 2.064 -4.202 -16.312 1.00 0.00 H new ATOM 0 HB VAL A 46 1.444 -1.944 -14.513 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.626 -3.394 -12.903 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.314 -4.257 -13.739 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.006 -4.532 -14.217 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.831 -1.548 -14.023 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.278 -2.583 -15.400 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.400 -1.060 -15.679 1.00 0.00 H new ATOM 722 N GLN A 47 -0.320 -4.357 -16.726 1.00 0.00 N ATOM 723 CA GLN A 47 -1.754 -4.520 -16.897 1.00 0.00 C ATOM 724 C GLN A 47 -2.339 -5.321 -15.734 1.00 0.00 C ATOM 725 O GLN A 47 -1.792 -6.353 -15.346 1.00 0.00 O ATOM 726 CB GLN A 47 -2.073 -5.186 -18.237 1.00 0.00 C ATOM 727 CG GLN A 47 -3.483 -5.783 -18.231 1.00 0.00 C ATOM 728 CD GLN A 47 -4.062 -5.839 -19.645 1.00 0.00 C ATOM 729 OE1 GLN A 47 -4.446 -6.883 -20.147 1.00 0.00 O ATOM 730 NE2 GLN A 47 -4.103 -4.660 -20.260 1.00 0.00 N ATOM 0 H GLN A 47 0.228 -5.201 -16.893 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.215 -3.532 -16.900 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.987 -4.454 -19.040 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.343 -5.970 -18.441 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.455 -6.786 -17.806 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.132 -5.184 -17.592 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.765 -3.824 -19.783 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.472 -4.592 -21.208 1.00 0.00 H new ATOM 739 N GLN A 48 -3.446 -4.818 -15.207 1.00 0.00 N ATOM 740 CA GLN A 48 -4.112 -5.475 -14.095 1.00 0.00 C ATOM 741 C GLN A 48 -5.098 -6.524 -14.612 1.00 0.00 C ATOM 742 O GLN A 48 -5.970 -6.216 -15.424 1.00 0.00 O ATOM 743 CB GLN A 48 -4.817 -4.454 -13.199 1.00 0.00 C ATOM 744 CG GLN A 48 -5.656 -5.153 -12.127 1.00 0.00 C ATOM 745 CD GLN A 48 -4.816 -5.451 -10.883 1.00 0.00 C ATOM 746 OE1 GLN A 48 -4.781 -6.738 -10.550 1.00 0.00 O flip ATOM 747 NE2 GLN A 48 -4.238 -4.571 -10.267 1.00 0.00 N flip ATOM 0 H GLN A 48 -3.899 -3.963 -15.530 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.358 -5.980 -13.492 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.077 -3.809 -12.724 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.456 -3.813 -13.806 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.504 -4.524 -11.856 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.063 -6.082 -12.527 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.307 -3.602 -10.577 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.686 -4.804 -9.442 1.00 0.00 H new ATOM 756 N ILE A 49 -4.929 -7.742 -14.119 1.00 0.00 N ATOM 757 CA ILE A 49 -5.792 -8.839 -14.522 1.00 0.00 C ATOM 758 C ILE A 49 -5.852 -9.874 -13.396 1.00 0.00 C ATOM 759 O ILE A 49 -5.095 -9.790 -12.430 1.00 0.00 O ATOM 760 CB ILE A 49 -5.337 -9.416 -15.864 1.00 0.00 C ATOM 761 CG1 ILE A 49 -3.861 -9.818 -15.815 1.00 0.00 C ATOM 762 CG2 ILE A 49 -5.628 -8.441 -17.006 1.00 0.00 C ATOM 763 CD1 ILE A 49 -2.957 -8.628 -16.141 1.00 0.00 C ATOM 0 H ILE A 49 -4.207 -7.993 -13.444 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.809 -8.483 -14.684 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.911 -10.322 -16.060 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.618 -10.203 -14.825 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.676 -10.624 -16.525 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.295 -8.875 -17.949 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.699 -8.247 -17.054 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.097 -7.505 -16.830 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.914 -8.941 -16.099 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.186 -8.261 -17.141 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.126 -7.833 -15.415 1.00 0.00 H new ATOM 775 N GLN A 50 -6.760 -10.825 -13.558 1.00 0.00 N ATOM 776 CA GLN A 50 -6.929 -11.875 -12.568 1.00 0.00 C ATOM 777 C GLN A 50 -6.369 -13.198 -13.097 1.00 0.00 C ATOM 778 O GLN A 50 -7.033 -13.895 -13.862 1.00 0.00 O ATOM 779 CB GLN A 50 -8.397 -12.022 -12.169 1.00 0.00 C ATOM 780 CG GLN A 50 -9.301 -12.050 -13.404 1.00 0.00 C ATOM 781 CD GLN A 50 -10.046 -10.723 -13.569 1.00 0.00 C ATOM 782 OE1 GLN A 50 -10.904 -10.361 -12.781 1.00 0.00 O ATOM 783 NE2 GLN A 50 -9.670 -10.021 -14.633 1.00 0.00 N ATOM 0 H GLN A 50 -7.387 -10.890 -14.360 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.371 -11.598 -11.674 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.531 -12.939 -11.595 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.686 -11.195 -11.521 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.702 -12.248 -14.293 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.019 -12.865 -13.315 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.945 -10.383 -15.252 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -10.107 -9.120 -14.830 1.00 0.00 H new ATOM 792 N VAL A 51 -5.153 -13.502 -12.668 1.00 0.00 N ATOM 793 CA VAL A 51 -4.496 -14.728 -13.089 1.00 0.00 C ATOM 794 C VAL A 51 -3.740 -15.331 -11.903 1.00 0.00 C ATOM 795 O VAL A 51 -3.077 -14.614 -11.156 1.00 0.00 O ATOM 796 CB VAL A 51 -3.594 -14.450 -14.294 1.00 0.00 C ATOM 797 CG1 VAL A 51 -4.422 -14.062 -15.521 1.00 0.00 C ATOM 798 CG2 VAL A 51 -2.559 -13.373 -13.967 1.00 0.00 C ATOM 0 H VAL A 51 -4.605 -12.921 -12.033 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.232 -15.464 -13.413 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.057 -15.369 -14.530 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.757 -13.870 -16.363 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.101 -14.876 -15.774 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.998 -13.163 -15.302 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.931 -13.195 -14.840 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.069 -12.450 -13.692 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.938 -13.706 -13.135 1.00 0.00 H new ATOM 998 N SER A 65 15.625 -8.822 -17.491 1.00 0.00 N ATOM 999 CA SER A 65 16.712 -8.136 -16.814 1.00 0.00 C ATOM 1000 C SER A 65 16.534 -6.622 -16.939 1.00 0.00 C ATOM 1001 O SER A 65 17.504 -5.893 -17.139 1.00 0.00 O ATOM 1002 CB SER A 65 18.069 -8.559 -17.380 1.00 0.00 C ATOM 1003 OG SER A 65 18.436 -7.787 -18.520 1.00 0.00 O ATOM 0 HA SER A 65 16.686 -8.413 -15.760 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.832 -8.453 -16.609 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.035 -9.614 -17.652 1.00 0.00 H new ATOM 0 HG SER A 65 18.510 -6.843 -18.266 1.00 0.00 H new ATOM 1009 N GLN A 66 15.286 -6.193 -16.816 1.00 0.00 N ATOM 1010 CA GLN A 66 14.967 -4.779 -16.915 1.00 0.00 C ATOM 1011 C GLN A 66 14.085 -4.350 -15.741 1.00 0.00 C ATOM 1012 O GLN A 66 14.470 -3.485 -14.954 1.00 0.00 O ATOM 1013 CB GLN A 66 14.293 -4.461 -18.251 1.00 0.00 C ATOM 1014 CG GLN A 66 15.206 -4.821 -19.426 1.00 0.00 C ATOM 1015 CD GLN A 66 16.457 -3.940 -19.438 1.00 0.00 C ATOM 1016 OE1 GLN A 66 16.450 -2.802 -19.001 1.00 0.00 O ATOM 1017 NE2 GLN A 66 17.529 -4.529 -19.961 1.00 0.00 N ATOM 0 H GLN A 66 14.484 -6.800 -16.649 1.00 0.00 H new ATOM 0 HA GLN A 66 15.898 -4.213 -16.871 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.357 -5.014 -18.331 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.042 -3.401 -18.292 1.00 0.00 H new ATOM 0 HG2 GLN A 66 15.496 -5.870 -19.358 1.00 0.00 H new ATOM 0 HG3 GLN A 66 14.663 -4.701 -20.363 1.00 0.00 H new ATOM 0 HE21 GLN A 66 17.466 -5.486 -20.309 1.00 0.00 H new ATOM 0 HE22 GLN A 66 18.414 -4.024 -20.014 1.00 0.00 H new ATOM 1026 N LEU A 67 12.920 -4.975 -15.658 1.00 0.00 N ATOM 1027 CA LEU A 67 11.980 -4.668 -14.593 1.00 0.00 C ATOM 1028 C LEU A 67 12.579 -5.094 -13.252 1.00 0.00 C ATOM 1029 O LEU A 67 13.226 -6.136 -13.159 1.00 0.00 O ATOM 1030 CB LEU A 67 10.616 -5.295 -14.886 1.00 0.00 C ATOM 1031 CG LEU A 67 9.859 -4.726 -16.086 1.00 0.00 C ATOM 1032 CD1 LEU A 67 10.725 -4.760 -17.347 1.00 0.00 C ATOM 1033 CD2 LEU A 67 8.525 -5.449 -16.287 1.00 0.00 C ATOM 0 H LEU A 67 12.605 -5.693 -16.311 1.00 0.00 H new ATOM 0 HA LEU A 67 11.805 -3.594 -14.536 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.757 -6.364 -15.044 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.990 -5.184 -14.001 1.00 0.00 H new ATOM 0 HG LEU A 67 9.630 -3.680 -15.880 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.163 -4.350 -18.186 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.624 -4.165 -17.187 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.006 -5.790 -17.568 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.007 -5.025 -17.147 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.708 -6.509 -16.461 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.908 -5.329 -15.396 1.00 0.00 H new ATOM 1045 N PRO A 68 12.336 -4.244 -12.218 1.00 0.00 N ATOM 1046 CA PRO A 68 12.845 -4.523 -10.885 1.00 0.00 C ATOM 1047 C PRO A 68 12.034 -5.631 -10.210 1.00 0.00 C ATOM 1048 O PRO A 68 11.000 -6.051 -10.725 1.00 0.00 O ATOM 1049 CB PRO A 68 12.765 -3.195 -10.149 1.00 0.00 C ATOM 1050 CG PRO A 68 11.790 -2.338 -10.939 1.00 0.00 C ATOM 1051 CD PRO A 68 11.575 -3.001 -12.290 1.00 0.00 C ATOM 0 HA PRO A 68 13.869 -4.897 -10.894 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.419 -3.336 -9.125 1.00 0.00 H new ATOM 0 HB3 PRO A 68 13.745 -2.720 -10.092 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.844 -2.245 -10.405 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.185 -1.330 -11.067 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.518 -3.194 -12.473 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.928 -2.367 -13.103 1.00 0.00 H new ATOM 1059 N LEU A 69 12.536 -6.074 -9.066 1.00 0.00 N ATOM 1060 CA LEU A 69 11.872 -7.125 -8.315 1.00 0.00 C ATOM 1061 C LEU A 69 10.660 -6.539 -7.589 1.00 0.00 C ATOM 1062 O LEU A 69 9.740 -7.270 -7.219 1.00 0.00 O ATOM 1063 CB LEU A 69 12.864 -7.828 -7.386 1.00 0.00 C ATOM 1064 CG LEU A 69 12.876 -9.357 -7.452 1.00 0.00 C ATOM 1065 CD1 LEU A 69 11.510 -9.933 -7.072 1.00 0.00 C ATOM 1066 CD2 LEU A 69 13.342 -9.843 -8.826 1.00 0.00 C ATOM 0 H LEU A 69 13.395 -5.724 -8.642 1.00 0.00 H new ATOM 0 HA LEU A 69 11.499 -7.897 -8.988 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.866 -7.466 -7.616 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.645 -7.530 -6.361 1.00 0.00 H new ATOM 0 HG LEU A 69 13.595 -9.725 -6.720 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.546 -11.021 -7.127 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.257 -9.629 -6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.753 -9.560 -7.762 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.341 -10.933 -8.846 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.667 -9.466 -9.594 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.351 -9.477 -9.018 1.00 0.00 H new ATOM 1078 N MET A 70 10.695 -5.228 -7.406 1.00 0.00 N ATOM 1079 CA MET A 70 9.610 -4.536 -6.731 1.00 0.00 C ATOM 1080 C MET A 70 9.599 -3.049 -7.093 1.00 0.00 C ATOM 1081 O MET A 70 10.653 -2.441 -7.264 1.00 0.00 O ATOM 1082 CB MET A 70 9.769 -4.693 -5.217 1.00 0.00 C ATOM 1083 CG MET A 70 8.771 -3.807 -4.469 1.00 0.00 C ATOM 1084 SD MET A 70 9.639 -2.520 -3.587 1.00 0.00 S ATOM 1085 CE MET A 70 10.667 -3.514 -2.519 1.00 0.00 C ATOM 0 H MET A 70 11.458 -4.626 -7.714 1.00 0.00 H new ATOM 0 HA MET A 70 8.666 -4.976 -7.054 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.617 -5.735 -4.937 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.786 -4.430 -4.925 1.00 0.00 H new ATOM 0 HG2 MET A 70 8.066 -3.365 -5.173 1.00 0.00 H new ATOM 0 HG3 MET A 70 8.189 -4.409 -3.771 1.00 0.00 H new ATOM 0 HE1 MET A 70 10.769 -3.022 -1.552 1.00 0.00 H new ATOM 0 HE2 MET A 70 10.209 -4.494 -2.382 1.00 0.00 H new ATOM 0 HE3 MET A 70 11.652 -3.634 -2.971 1.00 0.00 H new ATOM 1095 N TRP A 71 8.394 -2.509 -7.200 1.00 0.00 N ATOM 1096 CA TRP A 71 8.231 -1.105 -7.538 1.00 0.00 C ATOM 1097 C TRP A 71 7.729 -0.373 -6.292 1.00 0.00 C ATOM 1098 O TRP A 71 7.102 -0.978 -5.423 1.00 0.00 O ATOM 1099 CB TRP A 71 7.305 -0.936 -8.745 1.00 0.00 C ATOM 1100 CG TRP A 71 8.031 -0.931 -10.091 1.00 0.00 C ATOM 1101 CD1 TRP A 71 9.134 -0.250 -10.431 1.00 0.00 C ATOM 1102 CD2 TRP A 71 7.658 -1.672 -11.272 1.00 0.00 C ATOM 1103 NE1 TRP A 71 9.499 -0.498 -11.739 1.00 0.00 N ATOM 1104 CE2 TRP A 71 8.572 -1.390 -12.267 1.00 0.00 C ATOM 1105 CE3 TRP A 71 6.584 -2.552 -11.492 1.00 0.00 C ATOM 1106 CZ2 TRP A 71 8.504 -1.946 -13.550 1.00 0.00 C ATOM 1107 CZ3 TRP A 71 6.531 -3.099 -12.779 1.00 0.00 C ATOM 1108 CH2 TRP A 71 7.443 -2.826 -13.792 1.00 0.00 C ATOM 0 H TRP A 71 7.521 -3.018 -7.059 1.00 0.00 H new ATOM 0 HA TRP A 71 9.183 -0.667 -7.838 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.571 -1.742 -8.743 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.753 -0.002 -8.638 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.670 0.410 -9.765 1.00 0.00 H new ATOM 0 HE1 TRP A 71 10.301 -0.100 -12.228 1.00 0.00 H new ATOM 0 HE3 TRP A 71 5.857 -2.787 -10.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.231 -1.709 -14.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 5.724 -3.782 -13.001 1.00 0.00 H new ATOM 0 HH2 TRP A 71 7.333 -3.291 -14.761 1.00 0.00 H new ATOM 1119 N GLN A 72 8.024 0.917 -6.244 1.00 0.00 N ATOM 1120 CA GLN A 72 7.612 1.738 -5.118 1.00 0.00 C ATOM 1121 C GLN A 72 7.047 3.072 -5.611 1.00 0.00 C ATOM 1122 O GLN A 72 7.800 4.005 -5.884 1.00 0.00 O ATOM 1123 CB GLN A 72 8.772 1.960 -4.146 1.00 0.00 C ATOM 1124 CG GLN A 72 8.258 2.205 -2.726 1.00 0.00 C ATOM 1125 CD GLN A 72 7.971 0.883 -2.011 1.00 0.00 C ATOM 1126 OE1 GLN A 72 6.758 0.391 -2.251 1.00 0.00 O flip ATOM 1127 NE2 GLN A 72 8.795 0.345 -1.290 1.00 0.00 N flip ATOM 0 H GLN A 72 8.544 1.415 -6.967 1.00 0.00 H new ATOM 0 HA GLN A 72 6.826 1.210 -4.579 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.429 1.090 -4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.367 2.812 -4.473 1.00 0.00 H new ATOM 0 HG2 GLN A 72 8.996 2.775 -2.162 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.350 2.807 -2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 72 9.708 0.777 -1.149 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.571 -0.537 -0.829 1.00 0.00 H new ATOM 1136 N LEU A 73 5.727 3.118 -5.714 1.00 0.00 N ATOM 1137 CA LEU A 73 5.053 4.322 -6.170 1.00 0.00 C ATOM 1138 C LEU A 73 5.665 5.539 -5.473 1.00 0.00 C ATOM 1139 O LEU A 73 5.737 5.586 -4.246 1.00 0.00 O ATOM 1140 CB LEU A 73 3.541 4.197 -5.974 1.00 0.00 C ATOM 1141 CG LEU A 73 2.758 5.511 -5.942 1.00 0.00 C ATOM 1142 CD1 LEU A 73 3.219 6.451 -7.057 1.00 0.00 C ATOM 1143 CD2 LEU A 73 1.251 5.253 -5.998 1.00 0.00 C ATOM 0 H LEU A 73 5.106 2.341 -5.489 1.00 0.00 H new ATOM 0 HA LEU A 73 5.202 4.459 -7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.141 3.578 -6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.358 3.665 -5.040 1.00 0.00 H new ATOM 0 HG LEU A 73 2.965 6.008 -4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.647 7.377 -7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.279 6.673 -6.931 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.061 5.974 -8.024 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.718 6.203 -5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.007 4.723 -6.919 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.953 4.648 -5.141 1.00 0.00 H new ATOM 1155 N TYR A 74 6.091 6.494 -6.286 1.00 0.00 N ATOM 1156 CA TYR A 74 6.694 7.708 -5.763 1.00 0.00 C ATOM 1157 C TYR A 74 5.985 8.951 -6.305 1.00 0.00 C ATOM 1158 O TYR A 74 5.023 8.840 -7.064 1.00 0.00 O ATOM 1159 CB TYR A 74 8.142 7.706 -6.256 1.00 0.00 C ATOM 1160 CG TYR A 74 9.182 7.696 -5.134 1.00 0.00 C ATOM 1161 CD1 TYR A 74 8.972 6.929 -4.006 1.00 0.00 C ATOM 1162 CD2 TYR A 74 10.331 8.452 -5.251 1.00 0.00 C ATOM 1163 CE1 TYR A 74 9.951 6.918 -2.950 1.00 0.00 C ATOM 1164 CE2 TYR A 74 11.309 8.441 -4.194 1.00 0.00 C ATOM 1165 CZ TYR A 74 11.071 7.676 -3.096 1.00 0.00 C ATOM 1166 OH TYR A 74 11.995 7.665 -2.099 1.00 0.00 O ATOM 0 H TYR A 74 6.031 6.452 -7.303 1.00 0.00 H new ATOM 0 HA TYR A 74 6.622 7.734 -4.676 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.298 6.833 -6.890 1.00 0.00 H new ATOM 0 HB3 TYR A 74 8.304 8.585 -6.879 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.073 6.337 -3.915 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.496 9.051 -6.134 1.00 0.00 H new ATOM 0 HE1 TYR A 74 9.799 6.322 -2.062 1.00 0.00 H new ATOM 0 HE2 TYR A 74 12.212 9.028 -4.272 1.00 0.00 H new ATOM 0 HH TYR A 74 12.743 8.251 -2.340 1.00 0.00 H new ATOM 1176 N PRO A 75 6.499 10.137 -5.883 1.00 0.00 N ATOM 1177 CA PRO A 75 5.927 11.400 -6.319 1.00 0.00 C ATOM 1178 C PRO A 75 6.315 11.707 -7.767 1.00 0.00 C ATOM 1179 O PRO A 75 7.075 10.960 -8.382 1.00 0.00 O ATOM 1180 CB PRO A 75 6.451 12.430 -5.332 1.00 0.00 C ATOM 1181 CG PRO A 75 7.659 11.793 -4.666 1.00 0.00 C ATOM 1182 CD PRO A 75 7.637 10.307 -4.984 1.00 0.00 C ATOM 0 HA PRO A 75 4.837 11.390 -6.322 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.727 13.353 -5.841 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.690 12.688 -4.596 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.580 12.248 -5.031 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.629 11.953 -3.588 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.566 9.990 -5.457 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.520 9.710 -4.079 1.00 0.00 H new ATOM 1190 N GLU A 76 5.774 12.807 -8.269 1.00 0.00 N ATOM 1191 CA GLU A 76 6.052 13.221 -9.634 1.00 0.00 C ATOM 1192 C GLU A 76 5.453 12.222 -10.625 1.00 0.00 C ATOM 1193 O GLU A 76 5.835 12.196 -11.794 1.00 0.00 O ATOM 1194 CB GLU A 76 7.557 13.384 -9.862 1.00 0.00 C ATOM 1195 CG GLU A 76 8.059 14.708 -9.280 1.00 0.00 C ATOM 1196 CD GLU A 76 7.491 15.897 -10.058 1.00 0.00 C ATOM 1197 OE1 GLU A 76 7.781 16.052 -11.253 1.00 0.00 O ATOM 1198 OE2 GLU A 76 6.724 16.677 -9.375 1.00 0.00 O ATOM 0 H GLU A 76 5.145 13.424 -7.756 1.00 0.00 H new ATOM 0 HA GLU A 76 5.585 14.192 -9.800 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.091 12.554 -9.400 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.773 13.347 -10.930 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.769 14.782 -8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.148 14.734 -9.312 1.00 0.00 H new ATOM 1206 N GLU A 77 4.525 11.422 -10.121 1.00 0.00 N ATOM 1207 CA GLU A 77 3.868 10.424 -10.948 1.00 0.00 C ATOM 1208 C GLU A 77 4.897 9.444 -11.516 1.00 0.00 C ATOM 1209 O GLU A 77 4.924 9.195 -12.719 1.00 0.00 O ATOM 1210 CB GLU A 77 3.062 11.083 -12.069 1.00 0.00 C ATOM 1211 CG GLU A 77 2.347 10.032 -12.921 1.00 0.00 C ATOM 1212 CD GLU A 77 1.039 10.587 -13.490 1.00 0.00 C ATOM 1213 OE1 GLU A 77 -0.046 10.116 -13.119 1.00 0.00 O ATOM 1214 OE2 GLU A 77 1.178 11.541 -14.347 1.00 0.00 O ATOM 0 H GLU A 77 4.212 11.445 -9.150 1.00 0.00 H new ATOM 0 HA GLU A 77 3.170 9.867 -10.323 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.330 11.769 -11.641 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.725 11.677 -12.698 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.997 9.715 -13.736 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.140 9.149 -12.317 1.00 0.00 H new ATOM 1222 N ARG A 78 5.720 8.916 -10.621 1.00 0.00 N ATOM 1223 CA ARG A 78 6.749 7.969 -11.018 1.00 0.00 C ATOM 1224 C ARG A 78 6.892 6.869 -9.965 1.00 0.00 C ATOM 1225 O ARG A 78 6.501 7.052 -8.812 1.00 0.00 O ATOM 1226 CB ARG A 78 8.097 8.666 -11.204 1.00 0.00 C ATOM 1227 CG ARG A 78 7.907 10.109 -11.678 1.00 0.00 C ATOM 1228 CD ARG A 78 9.248 10.844 -11.746 1.00 0.00 C ATOM 1229 NE ARG A 78 9.121 12.049 -12.596 1.00 0.00 N ATOM 1230 CZ ARG A 78 10.024 13.052 -12.627 1.00 0.00 C ATOM 1231 NH1 ARG A 78 11.129 13.003 -11.853 1.00 0.00 N ATOM 1232 NH2 ARG A 78 9.811 14.082 -13.425 1.00 0.00 N ATOM 0 H ARG A 78 5.695 9.126 -9.623 1.00 0.00 H new ATOM 0 HA ARG A 78 6.446 7.530 -11.969 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.648 8.658 -10.263 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.697 8.117 -11.930 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.435 10.114 -12.661 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.235 10.633 -10.999 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.568 11.128 -10.743 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.015 10.183 -12.150 1.00 0.00 H new ATOM 0 HE ARG A 78 8.300 12.126 -13.196 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.286 12.204 -11.239 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.806 13.765 -11.882 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.974 14.112 -14.007 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.484 14.848 -13.460 1.00 0.00 H new ATOM 1245 N TYR A 79 7.454 5.749 -10.397 1.00 0.00 N ATOM 1246 CA TYR A 79 7.653 4.619 -9.505 1.00 0.00 C ATOM 1247 C TYR A 79 9.141 4.399 -9.225 1.00 0.00 C ATOM 1248 O TYR A 79 9.943 4.298 -10.152 1.00 0.00 O ATOM 1249 CB TYR A 79 7.098 3.399 -10.241 1.00 0.00 C ATOM 1250 CG TYR A 79 5.642 3.076 -9.902 1.00 0.00 C ATOM 1251 CD1 TYR A 79 4.788 4.084 -9.499 1.00 0.00 C ATOM 1252 CD2 TYR A 79 5.181 1.779 -9.999 1.00 0.00 C ATOM 1253 CE1 TYR A 79 3.417 3.781 -9.180 1.00 0.00 C ATOM 1254 CE2 TYR A 79 3.810 1.476 -9.680 1.00 0.00 C ATOM 1255 CZ TYR A 79 2.995 2.492 -9.286 1.00 0.00 C ATOM 1256 OH TYR A 79 1.701 2.205 -8.984 1.00 0.00 O ATOM 0 H TYR A 79 7.778 5.600 -11.353 1.00 0.00 H new ATOM 0 HA TYR A 79 7.158 4.791 -8.549 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.182 3.566 -11.315 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.716 2.533 -10.004 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.149 5.099 -9.423 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.849 0.991 -10.314 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.739 4.560 -8.864 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.437 0.465 -9.752 1.00 0.00 H new ATOM 0 HH TYR A 79 1.667 1.407 -8.415 1.00 0.00 H new ATOM 1266 N MET A 80 9.465 4.330 -7.942 1.00 0.00 N ATOM 1267 CA MET A 80 10.842 4.121 -7.528 1.00 0.00 C ATOM 1268 C MET A 80 11.089 2.656 -7.163 1.00 0.00 C ATOM 1269 O MET A 80 10.491 2.138 -6.222 1.00 0.00 O ATOM 1270 CB MET A 80 11.152 5.008 -6.321 1.00 0.00 C ATOM 1271 CG MET A 80 12.618 4.875 -5.904 1.00 0.00 C ATOM 1272 SD MET A 80 13.207 6.422 -5.238 1.00 0.00 S ATOM 1273 CE MET A 80 14.641 6.679 -6.269 1.00 0.00 C ATOM 0 H MET A 80 8.797 4.415 -7.175 1.00 0.00 H new ATOM 0 HA MET A 80 11.496 4.383 -8.360 1.00 0.00 H new ATOM 0 HB2 MET A 80 10.932 6.048 -6.563 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.507 4.732 -5.487 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.722 4.086 -5.159 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.224 4.585 -6.763 1.00 0.00 H new ATOM 0 HE1 MET A 80 15.132 7.610 -5.985 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.335 5.849 -6.140 1.00 0.00 H new ATOM 0 HE3 MET A 80 14.333 6.736 -7.313 1.00 0.00 H new ATOM 1283 N ASP A 81 11.973 2.030 -7.927 1.00 0.00 N ATOM 1284 CA ASP A 81 12.306 0.635 -7.695 1.00 0.00 C ATOM 1285 C ASP A 81 13.493 0.553 -6.732 1.00 0.00 C ATOM 1286 O ASP A 81 14.006 1.577 -6.284 1.00 0.00 O ATOM 1287 CB ASP A 81 12.705 -0.060 -8.997 1.00 0.00 C ATOM 1288 CG ASP A 81 13.963 0.496 -9.668 1.00 0.00 C ATOM 1289 OD1 ASP A 81 14.001 0.698 -10.891 1.00 0.00 O ATOM 1290 OD2 ASP A 81 14.949 0.727 -8.869 1.00 0.00 O ATOM 0 H ASP A 81 12.468 2.463 -8.706 1.00 0.00 H new ATOM 0 HA ASP A 81 11.427 0.143 -7.279 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.858 -1.120 -8.793 1.00 0.00 H new ATOM 0 HB3 ASP A 81 11.875 0.013 -9.699 1.00 0.00 H new ATOM 1296 N ASN A 82 13.894 -0.677 -6.442 1.00 0.00 N ATOM 1297 CA ASN A 82 15.011 -0.906 -5.541 1.00 0.00 C ATOM 1298 C ASN A 82 16.270 -1.195 -6.361 1.00 0.00 C ATOM 1299 O ASN A 82 17.335 -1.451 -5.800 1.00 0.00 O ATOM 1300 CB ASN A 82 14.750 -2.110 -4.636 1.00 0.00 C ATOM 1301 CG ASN A 82 15.272 -1.855 -3.220 1.00 0.00 C ATOM 1302 OD1 ASN A 82 14.831 -0.960 -2.519 1.00 0.00 O ATOM 1303 ND2 ASN A 82 16.235 -2.691 -2.840 1.00 0.00 N ATOM 0 H ASN A 82 13.466 -1.524 -6.815 1.00 0.00 H new ATOM 0 HA ASN A 82 15.138 -0.014 -4.927 1.00 0.00 H new ATOM 0 HB2 ASN A 82 13.681 -2.318 -4.601 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.234 -2.994 -5.052 1.00 0.00 H new ATOM 0 HD21 ASN A 82 16.650 -2.604 -1.912 1.00 0.00 H new ATOM 0 HD22 ASN A 82 16.559 -3.419 -3.477 1.00 0.00 H new ATOM 1310 N ASN A 83 16.108 -1.144 -7.674 1.00 0.00 N ATOM 1311 CA ASN A 83 17.218 -1.398 -8.577 1.00 0.00 C ATOM 1312 C ASN A 83 18.095 -0.148 -8.665 1.00 0.00 C ATOM 1313 O ASN A 83 19.125 -0.153 -9.338 1.00 0.00 O ATOM 1314 CB ASN A 83 16.719 -1.725 -9.986 1.00 0.00 C ATOM 1315 CG ASN A 83 17.687 -2.665 -10.706 1.00 0.00 C ATOM 1316 OD1 ASN A 83 17.097 -3.699 -11.299 1.00 0.00 O flip ATOM 1317 ND2 ASN A 83 18.890 -2.467 -10.722 1.00 0.00 N flip ATOM 0 H ASN A 83 15.224 -0.930 -8.135 1.00 0.00 H new ATOM 0 HA ASN A 83 17.781 -2.246 -8.188 1.00 0.00 H new ATOM 0 HB2 ASN A 83 15.733 -2.187 -9.928 1.00 0.00 H new ATOM 0 HB3 ASN A 83 16.607 -0.804 -10.559 1.00 0.00 H new ATOM 0 HD21 ASN A 83 19.279 -1.653 -10.246 1.00 0.00 H new ATOM 0 HD22 ASN A 83 19.507 -3.115 -11.211 1.00 0.00 H new ATOM 1324 N SER A 84 17.656 0.894 -7.974 1.00 0.00 N ATOM 1325 CA SER A 84 18.387 2.150 -7.967 1.00 0.00 C ATOM 1326 C SER A 84 17.996 2.992 -9.182 1.00 0.00 C ATOM 1327 O SER A 84 18.831 3.692 -9.753 1.00 0.00 O ATOM 1328 CB SER A 84 19.898 1.907 -7.954 1.00 0.00 C ATOM 1329 OG SER A 84 20.577 2.812 -7.087 1.00 0.00 O ATOM 0 H SER A 84 16.803 0.894 -7.415 1.00 0.00 H new ATOM 0 HA SER A 84 18.125 2.692 -7.059 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.098 0.883 -7.638 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.291 2.011 -8.966 1.00 0.00 H new ATOM 0 HG SER A 84 21.539 2.623 -7.105 1.00 0.00 H new ATOM 1335 N ARG A 85 16.725 2.895 -9.544 1.00 0.00 N ATOM 1336 CA ARG A 85 16.212 3.640 -10.681 1.00 0.00 C ATOM 1337 C ARG A 85 14.796 4.140 -10.393 1.00 0.00 C ATOM 1338 O ARG A 85 14.134 3.650 -9.481 1.00 0.00 O ATOM 1339 CB ARG A 85 16.192 2.773 -11.943 1.00 0.00 C ATOM 1340 CG ARG A 85 17.575 2.180 -12.222 1.00 0.00 C ATOM 1341 CD ARG A 85 18.030 2.501 -13.648 1.00 0.00 C ATOM 1342 NE ARG A 85 18.688 1.318 -14.246 1.00 0.00 N ATOM 1343 CZ ARG A 85 18.791 1.101 -15.575 1.00 0.00 C ATOM 1344 NH1 ARG A 85 18.279 1.987 -16.455 1.00 0.00 N ATOM 1345 NH2 ARG A 85 19.400 0.010 -16.000 1.00 0.00 N ATOM 0 H ARG A 85 16.035 2.312 -9.070 1.00 0.00 H new ATOM 0 HA ARG A 85 16.874 4.490 -10.847 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.465 1.970 -11.825 1.00 0.00 H new ATOM 0 HB3 ARG A 85 15.870 3.372 -12.795 1.00 0.00 H new ATOM 0 HG2 ARG A 85 18.296 2.577 -11.508 1.00 0.00 H new ATOM 0 HG3 ARG A 85 17.547 1.100 -12.079 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.174 2.797 -14.254 1.00 0.00 H new ATOM 0 HD3 ARG A 85 18.720 3.345 -13.637 1.00 0.00 H new ATOM 0 HE ARG A 85 19.089 0.624 -13.615 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.810 2.828 -16.118 1.00 0.00 H new ATOM 0 HH12 ARG A 85 18.361 1.816 -17.457 1.00 0.00 H new ATOM 0 HH21 ARG A 85 19.784 -0.654 -15.328 1.00 0.00 H new ATOM 0 HH22 ARG A 85 19.486 -0.169 -17.000 1.00 0.00 H new ATOM 1358 N LEU A 86 14.373 5.113 -11.188 1.00 0.00 N ATOM 1359 CA LEU A 86 13.047 5.687 -11.029 1.00 0.00 C ATOM 1360 C LEU A 86 12.298 5.605 -12.361 1.00 0.00 C ATOM 1361 O LEU A 86 12.673 6.264 -13.329 1.00 0.00 O ATOM 1362 CB LEU A 86 13.142 7.105 -10.463 1.00 0.00 C ATOM 1363 CG LEU A 86 11.977 7.552 -9.577 1.00 0.00 C ATOM 1364 CD1 LEU A 86 12.112 9.028 -9.197 1.00 0.00 C ATOM 1365 CD2 LEU A 86 10.634 7.252 -10.244 1.00 0.00 C ATOM 0 H LEU A 86 14.925 5.518 -11.944 1.00 0.00 H new ATOM 0 HA LEU A 86 12.469 5.117 -10.302 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.063 7.184 -9.885 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.228 7.803 -11.296 1.00 0.00 H new ATOM 0 HG LEU A 86 12.012 6.977 -8.652 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.271 9.320 -8.567 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.044 9.180 -8.652 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.117 9.637 -10.101 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.823 7.580 -9.593 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.573 7.782 -11.194 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.547 6.180 -10.421 1.00 0.00 H new ATOM 1377 N TRP A 87 11.253 4.790 -12.367 1.00 0.00 N ATOM 1378 CA TRP A 87 10.447 4.615 -13.563 1.00 0.00 C ATOM 1379 C TRP A 87 9.383 5.713 -13.583 1.00 0.00 C ATOM 1380 O TRP A 87 8.814 6.050 -12.545 1.00 0.00 O ATOM 1381 CB TRP A 87 9.853 3.206 -13.621 1.00 0.00 C ATOM 1382 CG TRP A 87 10.900 2.089 -13.610 1.00 0.00 C ATOM 1383 CD1 TRP A 87 11.954 1.954 -12.795 1.00 0.00 C ATOM 1384 CD2 TRP A 87 10.948 0.948 -14.492 1.00 0.00 C ATOM 1385 NE1 TRP A 87 12.676 0.815 -13.085 1.00 0.00 N ATOM 1386 CE2 TRP A 87 12.045 0.182 -14.150 1.00 0.00 C ATOM 1387 CE3 TRP A 87 10.094 0.574 -15.544 1.00 0.00 C ATOM 1388 CZ2 TRP A 87 12.388 -1.003 -14.810 1.00 0.00 C ATOM 1389 CZ3 TRP A 87 10.450 -0.614 -16.194 1.00 0.00 C ATOM 1390 CH2 TRP A 87 11.551 -1.395 -15.861 1.00 0.00 C ATOM 0 H TRP A 87 10.946 4.244 -11.562 1.00 0.00 H new ATOM 0 HA TRP A 87 11.061 4.710 -14.459 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.182 3.070 -12.772 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.248 3.114 -14.523 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.207 2.650 -12.009 1.00 0.00 H new ATOM 0 HE1 TRP A 87 13.518 0.496 -12.606 1.00 0.00 H new ATOM 0 HE3 TRP A 87 9.231 1.157 -15.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 13.252 -1.584 -14.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 9.826 -0.947 -17.010 1.00 0.00 H new ATOM 0 HH2 TRP A 87 11.760 -2.301 -16.411 1.00 0.00 H new ATOM 1401 N GLN A 88 9.145 6.241 -14.774 1.00 0.00 N ATOM 1402 CA GLN A 88 8.160 7.296 -14.942 1.00 0.00 C ATOM 1403 C GLN A 88 6.828 6.708 -15.415 1.00 0.00 C ATOM 1404 O GLN A 88 6.771 6.047 -16.450 1.00 0.00 O ATOM 1405 CB GLN A 88 8.663 8.366 -15.913 1.00 0.00 C ATOM 1406 CG GLN A 88 7.504 9.210 -16.447 1.00 0.00 C ATOM 1407 CD GLN A 88 7.912 10.679 -16.582 1.00 0.00 C ATOM 1408 OE1 GLN A 88 8.914 11.018 -17.187 1.00 0.00 O ATOM 1409 NE2 GLN A 88 7.080 11.527 -15.984 1.00 0.00 N ATOM 0 H GLN A 88 9.617 5.958 -15.633 1.00 0.00 H new ATOM 0 HA GLN A 88 8.001 7.775 -13.976 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.384 9.009 -15.409 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.185 7.892 -16.744 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.187 8.826 -17.417 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.649 9.126 -15.776 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.258 11.175 -15.494 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.264 12.530 -16.016 1.00 0.00 H new ATOM 1418 N ILE A 89 5.791 6.972 -14.633 1.00 0.00 N ATOM 1419 CA ILE A 89 4.464 6.479 -14.959 1.00 0.00 C ATOM 1420 C ILE A 89 4.002 7.103 -16.278 1.00 0.00 C ATOM 1421 O ILE A 89 3.415 8.184 -16.284 1.00 0.00 O ATOM 1422 CB ILE A 89 3.502 6.719 -13.794 1.00 0.00 C ATOM 1423 CG1 ILE A 89 4.019 6.063 -12.512 1.00 0.00 C ATOM 1424 CG2 ILE A 89 2.088 6.254 -14.146 1.00 0.00 C ATOM 1425 CD1 ILE A 89 3.653 4.577 -12.470 1.00 0.00 C ATOM 0 H ILE A 89 5.843 7.521 -13.775 1.00 0.00 H new ATOM 0 HA ILE A 89 4.485 5.399 -15.107 1.00 0.00 H new ATOM 0 HB ILE A 89 3.451 7.792 -13.609 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.101 6.176 -12.452 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.597 6.570 -11.644 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.424 6.436 -13.301 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.729 6.806 -15.015 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.102 5.188 -14.374 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.032 4.135 -11.549 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.569 4.468 -12.505 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.097 4.069 -13.326 1.00 0.00 H new ATOM 1437 N GLN A 90 4.283 6.395 -17.361 1.00 0.00 N ATOM 1438 CA GLN A 90 3.904 6.866 -18.682 1.00 0.00 C ATOM 1439 C GLN A 90 2.412 7.204 -18.716 1.00 0.00 C ATOM 1440 O GLN A 90 2.017 8.237 -19.256 1.00 0.00 O ATOM 1441 CB GLN A 90 4.258 5.835 -19.755 1.00 0.00 C ATOM 1442 CG GLN A 90 5.244 6.417 -20.770 1.00 0.00 C ATOM 1443 CD GLN A 90 4.594 7.533 -21.590 1.00 0.00 C ATOM 1444 OE1 GLN A 90 3.551 7.362 -22.199 1.00 0.00 O ATOM 1445 NE2 GLN A 90 5.265 8.680 -21.570 1.00 0.00 N ATOM 0 H GLN A 90 4.769 5.498 -17.351 1.00 0.00 H new ATOM 0 HA GLN A 90 4.468 7.774 -18.899 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.692 4.952 -19.287 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.352 5.512 -20.267 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.119 6.806 -20.250 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.593 5.628 -21.436 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.133 8.754 -21.039 1.00 0.00 H new ATOM 0 HE22 GLN A 90 4.912 9.486 -22.086 1.00 0.00 H new ATOM 1454 N HIS A 91 1.622 6.313 -18.135 1.00 0.00 N ATOM 1455 CA HIS A 91 0.183 6.502 -18.094 1.00 0.00 C ATOM 1456 C HIS A 91 -0.450 5.434 -17.201 1.00 0.00 C ATOM 1457 O HIS A 91 -0.009 4.286 -17.193 1.00 0.00 O ATOM 1458 CB HIS A 91 -0.404 6.519 -19.506 1.00 0.00 C ATOM 1459 CG HIS A 91 -0.945 5.185 -19.962 1.00 0.00 C ATOM 1460 ND1 HIS A 91 -1.744 4.281 -19.323 1.00 0.00 N flip ATOM 1461 CD2 HIS A 91 -0.672 4.651 -21.210 1.00 0.00 C flip ATOM 1462 CE1 HIS A 91 -1.950 3.254 -20.138 1.00 0.00 C flip ATOM 1463 NE2 HIS A 91 -1.285 3.481 -21.308 1.00 0.00 N flip ATOM 0 H HIS A 91 1.952 5.457 -17.688 1.00 0.00 H new ATOM 0 HA HIS A 91 -0.047 7.474 -17.657 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -1.205 7.257 -19.547 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.366 6.845 -20.205 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.063 5.111 -21.974 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.546 2.382 -19.912 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.264 2.859 -22.116 1.00 0.00 H new ATOM 1471 N HIS A 92 -1.474 5.849 -16.469 1.00 0.00 N ATOM 1472 CA HIS A 92 -2.173 4.941 -15.576 1.00 0.00 C ATOM 1473 C HIS A 92 -3.676 5.221 -15.632 1.00 0.00 C ATOM 1474 O HIS A 92 -4.130 6.283 -15.211 1.00 0.00 O ATOM 1475 CB HIS A 92 -1.607 5.032 -14.157 1.00 0.00 C ATOM 1476 CG HIS A 92 -2.374 4.227 -13.136 1.00 0.00 C ATOM 1477 ND1 HIS A 92 -2.627 2.889 -13.063 1.00 0.00 N flip ATOM 1478 CD2 HIS A 92 -2.984 4.800 -12.034 1.00 0.00 C flip ATOM 1479 CE1 HIS A 92 -3.349 2.657 -11.975 1.00 0.00 C flip ATOM 1480 NE2 HIS A 92 -3.572 3.841 -11.335 1.00 0.00 N flip ATOM 0 H HIS A 92 -1.836 6.803 -16.476 1.00 0.00 H new ATOM 0 HA HIS A 92 -2.017 3.913 -15.903 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.571 4.693 -14.168 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.597 6.077 -13.847 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -2.314 2.186 -13.732 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -2.981 5.851 -11.786 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -3.702 1.690 -11.649 1.00 0.00 H new ATOM 1488 N LEU A 93 -4.406 4.249 -16.159 1.00 0.00 N ATOM 1489 CA LEU A 93 -5.849 4.376 -16.278 1.00 0.00 C ATOM 1490 C LEU A 93 -6.470 2.985 -16.416 1.00 0.00 C ATOM 1491 O LEU A 93 -5.767 1.978 -16.353 1.00 0.00 O ATOM 1492 CB LEU A 93 -6.211 5.328 -17.419 1.00 0.00 C ATOM 1493 CG LEU A 93 -5.592 5.008 -18.780 1.00 0.00 C ATOM 1494 CD1 LEU A 93 -4.266 5.748 -18.968 1.00 0.00 C ATOM 1495 CD2 LEU A 93 -5.437 3.498 -18.971 1.00 0.00 C ATOM 0 H LEU A 93 -4.025 3.370 -16.509 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.267 4.823 -15.376 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.295 5.337 -17.528 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.911 6.336 -17.134 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.271 5.363 -19.555 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.847 5.502 -19.944 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.437 6.823 -18.907 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.567 5.447 -18.187 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.995 3.298 -19.947 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.790 3.097 -18.190 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.416 3.021 -18.912 1.00 0.00 H new ATOM 1507 N MET A 94 -7.782 2.974 -16.601 1.00 0.00 N ATOM 1508 CA MET A 94 -8.506 1.723 -16.748 1.00 0.00 C ATOM 1509 C MET A 94 -9.011 1.545 -18.181 1.00 0.00 C ATOM 1510 O MET A 94 -9.722 2.402 -18.704 1.00 0.00 O ATOM 1511 CB MET A 94 -9.694 1.705 -15.783 1.00 0.00 C ATOM 1512 CG MET A 94 -10.791 0.762 -16.282 1.00 0.00 C ATOM 1513 SD MET A 94 -11.615 -0.003 -14.896 1.00 0.00 S ATOM 1514 CE MET A 94 -10.447 -1.299 -14.517 1.00 0.00 C ATOM 0 H MET A 94 -8.362 3.811 -16.652 1.00 0.00 H new ATOM 0 HA MET A 94 -7.826 0.903 -16.518 1.00 0.00 H new ATOM 0 HB2 MET A 94 -9.360 1.389 -14.795 1.00 0.00 H new ATOM 0 HB3 MET A 94 -10.096 2.713 -15.677 1.00 0.00 H new ATOM 0 HG2 MET A 94 -11.512 1.315 -16.884 1.00 0.00 H new ATOM 0 HG3 MET A 94 -10.359 -0.003 -16.926 1.00 0.00 H new ATOM 0 HE1 MET A 94 -10.954 -2.264 -14.541 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.644 -1.292 -15.254 1.00 0.00 H new ATOM 0 HE3 MET A 94 -10.029 -1.133 -13.524 1.00 0.00 H new ATOM 1524 N VAL A 95 -8.622 0.427 -18.777 1.00 0.00 N ATOM 1525 CA VAL A 95 -9.027 0.125 -20.139 1.00 0.00 C ATOM 1526 C VAL A 95 -9.726 -1.234 -20.170 1.00 0.00 C ATOM 1527 O VAL A 95 -9.235 -2.204 -19.595 1.00 0.00 O ATOM 1528 CB VAL A 95 -7.815 0.194 -21.072 1.00 0.00 C ATOM 1529 CG1 VAL A 95 -8.097 -0.526 -22.391 1.00 0.00 C ATOM 1530 CG2 VAL A 95 -7.395 1.645 -21.319 1.00 0.00 C ATOM 0 H VAL A 95 -8.031 -0.281 -18.341 1.00 0.00 H new ATOM 0 HA VAL A 95 -9.741 0.866 -20.498 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.986 -0.316 -20.582 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.220 -0.462 -23.035 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.326 -1.573 -22.192 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.947 -0.057 -22.887 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.532 1.666 -21.985 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.220 2.190 -21.778 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.133 2.114 -20.371 1.00 0.00 H new ATOM 1540 N ARG A 96 -10.865 -1.263 -20.847 1.00 0.00 N ATOM 1541 CA ARG A 96 -11.638 -2.487 -20.961 1.00 0.00 C ATOM 1542 C ARG A 96 -11.835 -3.121 -19.583 1.00 0.00 C ATOM 1543 O ARG A 96 -11.799 -4.344 -19.447 1.00 0.00 O ATOM 1544 CB ARG A 96 -10.944 -3.492 -21.883 1.00 0.00 C ATOM 1545 CG ARG A 96 -10.977 -3.017 -23.337 1.00 0.00 C ATOM 1546 CD ARG A 96 -11.745 -4.003 -24.219 1.00 0.00 C ATOM 1547 NE ARG A 96 -11.925 -3.436 -25.575 1.00 0.00 N ATOM 1548 CZ ARG A 96 -11.015 -3.541 -26.566 1.00 0.00 C ATOM 1549 NH1 ARG A 96 -9.851 -4.194 -26.361 1.00 0.00 N ATOM 1550 NH2 ARG A 96 -11.280 -2.996 -27.738 1.00 0.00 N ATOM 0 H ARG A 96 -11.271 -0.457 -21.322 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.607 -2.229 -21.387 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.910 -3.629 -21.565 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.433 -4.463 -21.803 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.445 -2.034 -23.392 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -9.959 -2.906 -23.710 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.204 -4.947 -24.280 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.716 -4.220 -23.775 1.00 0.00 H new ATOM 0 HE ARG A 96 -12.791 -2.935 -25.772 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.654 -4.612 -25.452 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -9.169 -4.269 -27.115 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.162 -2.505 -27.884 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.603 -3.066 -28.498 1.00 0.00 H new ATOM 1563 N GLY A 97 -12.039 -2.262 -18.595 1.00 0.00 N ATOM 1564 CA GLY A 97 -12.242 -2.723 -17.232 1.00 0.00 C ATOM 1565 C GLY A 97 -10.955 -3.322 -16.659 1.00 0.00 C ATOM 1566 O GLY A 97 -11.004 -4.157 -15.756 1.00 0.00 O ATOM 0 H GLY A 97 -12.068 -1.249 -18.711 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.570 -1.892 -16.608 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -13.036 -3.470 -17.211 1.00 0.00 H new ATOM 1570 N VAL A 98 -9.836 -2.875 -17.208 1.00 0.00 N ATOM 1571 CA VAL A 98 -8.539 -3.356 -16.763 1.00 0.00 C ATOM 1572 C VAL A 98 -7.599 -2.165 -16.565 1.00 0.00 C ATOM 1573 O VAL A 98 -7.479 -1.312 -17.442 1.00 0.00 O ATOM 1574 CB VAL A 98 -7.996 -4.389 -17.752 1.00 0.00 C ATOM 1575 CG1 VAL A 98 -6.467 -4.356 -17.795 1.00 0.00 C ATOM 1576 CG2 VAL A 98 -8.506 -5.791 -17.415 1.00 0.00 C ATOM 0 H VAL A 98 -9.800 -2.184 -17.958 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.629 -3.863 -15.802 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.364 -4.129 -18.745 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.107 -5.100 -18.506 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.133 -3.366 -18.105 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.070 -4.579 -16.804 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.105 -6.506 -18.133 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.182 -6.065 -16.411 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.595 -5.803 -17.460 1.00 0.00 H new ATOM 1586 N GLN A 99 -6.956 -2.147 -15.406 1.00 0.00 N ATOM 1587 CA GLN A 99 -6.030 -1.075 -15.082 1.00 0.00 C ATOM 1588 C GLN A 99 -4.680 -1.316 -15.760 1.00 0.00 C ATOM 1589 O GLN A 99 -3.988 -2.284 -15.448 1.00 0.00 O ATOM 1590 CB GLN A 99 -5.865 -0.933 -13.567 1.00 0.00 C ATOM 1591 CG GLN A 99 -7.218 -0.726 -12.885 1.00 0.00 C ATOM 1592 CD GLN A 99 -7.296 -1.507 -11.572 1.00 0.00 C ATOM 1593 OE1 GLN A 99 -7.931 -2.671 -11.672 1.00 0.00 O flip ATOM 1594 NE2 GLN A 99 -6.812 -1.081 -10.536 1.00 0.00 N flip ATOM 0 H GLN A 99 -7.058 -2.857 -14.681 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.442 -0.139 -15.460 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.384 -1.825 -13.165 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.210 -0.090 -13.346 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -7.373 0.335 -12.691 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -8.018 -1.048 -13.552 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.337 -0.178 -10.528 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.882 -1.628 -9.678 1.00 0.00 H new ATOM 1603 N GLU A 100 -4.345 -0.419 -16.676 1.00 0.00 N ATOM 1604 CA GLU A 100 -3.091 -0.523 -17.402 1.00 0.00 C ATOM 1605 C GLU A 100 -2.129 0.582 -16.959 1.00 0.00 C ATOM 1606 O GLU A 100 -2.324 1.750 -17.291 1.00 0.00 O ATOM 1607 CB GLU A 100 -3.326 -0.471 -18.913 1.00 0.00 C ATOM 1608 CG GLU A 100 -2.028 -0.732 -19.680 1.00 0.00 C ATOM 1609 CD GLU A 100 -2.240 -0.574 -21.187 1.00 0.00 C ATOM 1610 OE1 GLU A 100 -1.925 0.485 -21.749 1.00 0.00 O ATOM 1611 OE2 GLU A 100 -2.750 -1.603 -21.776 1.00 0.00 O ATOM 0 H GLU A 100 -4.921 0.383 -16.932 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.639 -1.487 -17.171 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -4.074 -1.213 -19.194 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.726 0.505 -19.189 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.257 -0.039 -19.343 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.669 -1.738 -19.463 1.00 0.00 H new ATOM 1619 N LEU A 101 -1.111 0.172 -16.217 1.00 0.00 N ATOM 1620 CA LEU A 101 -0.117 1.112 -15.726 1.00 0.00 C ATOM 1621 C LEU A 101 1.149 1.001 -16.577 1.00 0.00 C ATOM 1622 O LEU A 101 1.740 -0.073 -16.679 1.00 0.00 O ATOM 1623 CB LEU A 101 0.127 0.901 -14.230 1.00 0.00 C ATOM 1624 CG LEU A 101 0.502 2.149 -13.428 1.00 0.00 C ATOM 1625 CD1 LEU A 101 0.523 1.852 -11.928 1.00 0.00 C ATOM 1626 CD2 LEU A 101 1.828 2.735 -13.915 1.00 0.00 C ATOM 0 H LEU A 101 -0.953 -0.798 -15.944 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.479 2.135 -15.825 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.773 0.470 -13.793 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.923 0.165 -14.112 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.265 2.905 -13.595 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.792 2.756 -11.382 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.464 1.516 -11.610 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.256 1.072 -11.722 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.071 3.621 -13.329 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.618 1.994 -13.798 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.741 3.009 -14.966 1.00 0.00 H new ATOM 1638 N LEU A 102 1.528 2.125 -17.167 1.00 0.00 N ATOM 1639 CA LEU A 102 2.713 2.168 -18.006 1.00 0.00 C ATOM 1640 C LEU A 102 3.889 2.715 -17.194 1.00 0.00 C ATOM 1641 O LEU A 102 3.796 3.793 -16.610 1.00 0.00 O ATOM 1642 CB LEU A 102 2.434 2.954 -19.289 1.00 0.00 C ATOM 1643 CG LEU A 102 1.201 2.521 -20.086 1.00 0.00 C ATOM 1644 CD1 LEU A 102 1.408 2.749 -21.584 1.00 0.00 C ATOM 1645 CD2 LEU A 102 0.827 1.070 -19.772 1.00 0.00 C ATOM 0 H LEU A 102 1.035 3.014 -17.080 1.00 0.00 H new ATOM 0 HA LEU A 102 2.987 1.163 -18.328 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.323 4.007 -19.030 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.307 2.875 -19.937 1.00 0.00 H new ATOM 0 HG LEU A 102 0.360 3.144 -19.780 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.517 2.433 -22.127 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.589 3.808 -21.769 1.00 0.00 H new ATOM 0 HD13 LEU A 102 2.265 2.169 -21.925 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.052 0.787 -20.351 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.659 0.415 -20.032 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.608 0.973 -18.709 1.00 0.00 H new ATOM 1657 N LEU A 103 4.968 1.945 -17.183 1.00 0.00 N ATOM 1658 CA LEU A 103 6.160 2.338 -16.452 1.00 0.00 C ATOM 1659 C LEU A 103 7.314 2.539 -17.435 1.00 0.00 C ATOM 1660 O LEU A 103 7.628 1.645 -18.219 1.00 0.00 O ATOM 1661 CB LEU A 103 6.465 1.329 -15.342 1.00 0.00 C ATOM 1662 CG LEU A 103 5.562 1.393 -14.109 1.00 0.00 C ATOM 1663 CD1 LEU A 103 5.580 0.068 -13.346 1.00 0.00 C ATOM 1664 CD2 LEU A 103 5.940 2.575 -13.214 1.00 0.00 C ATOM 0 H LEU A 103 5.041 1.051 -17.669 1.00 0.00 H new ATOM 0 HA LEU A 103 6.001 3.292 -15.949 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.401 0.326 -15.763 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.496 1.474 -15.020 1.00 0.00 H new ATOM 0 HG LEU A 103 4.538 1.557 -14.444 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.930 0.141 -12.474 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.226 -0.731 -13.997 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.597 -0.152 -13.022 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.283 2.598 -12.345 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.973 2.466 -12.885 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.833 3.504 -13.774 1.00 0.00 H new ATOM 1676 N LYS A 104 7.914 3.719 -17.361 1.00 0.00 N ATOM 1677 CA LYS A 104 9.027 4.048 -18.236 1.00 0.00 C ATOM 1678 C LYS A 104 10.292 4.231 -17.395 1.00 0.00 C ATOM 1679 O LYS A 104 10.293 4.987 -16.425 1.00 0.00 O ATOM 1680 CB LYS A 104 8.685 5.259 -19.105 1.00 0.00 C ATOM 1681 CG LYS A 104 9.369 5.164 -20.471 1.00 0.00 C ATOM 1682 CD LYS A 104 10.889 5.270 -20.332 1.00 0.00 C ATOM 1683 CE LYS A 104 11.276 6.461 -19.452 1.00 0.00 C ATOM 1684 NZ LYS A 104 10.646 7.703 -19.953 1.00 0.00 N ATOM 0 H LYS A 104 7.651 4.458 -16.709 1.00 0.00 H new ATOM 0 HA LYS A 104 9.221 3.231 -18.931 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.605 5.322 -19.239 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.998 6.173 -18.600 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.109 4.218 -20.947 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.003 5.959 -21.121 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.284 4.350 -19.900 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.341 5.379 -21.318 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.964 6.277 -18.424 1.00 0.00 H new ATOM 0 HE3 LYS A 104 12.360 6.575 -19.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.317 8.493 -19.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.385 7.581 -20.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.793 7.909 -19.395 1.00 0.00 H new ATOM 1697 N LEU A 105 11.340 3.527 -17.799 1.00 0.00 N ATOM 1698 CA LEU A 105 12.609 3.602 -17.096 1.00 0.00 C ATOM 1699 C LEU A 105 13.615 4.374 -17.952 1.00 0.00 C ATOM 1700 O LEU A 105 13.814 4.054 -19.123 1.00 0.00 O ATOM 1701 CB LEU A 105 13.085 2.204 -16.697 1.00 0.00 C ATOM 1702 CG LEU A 105 14.338 2.147 -15.821 1.00 0.00 C ATOM 1703 CD1 LEU A 105 14.155 2.975 -14.548 1.00 0.00 C ATOM 1704 CD2 LEU A 105 14.726 0.700 -15.513 1.00 0.00 C ATOM 0 H LEU A 105 11.336 2.902 -18.605 1.00 0.00 H new ATOM 0 HA LEU A 105 12.495 4.152 -16.162 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.274 1.702 -16.169 1.00 0.00 H new ATOM 0 HB3 LEU A 105 13.275 1.633 -17.606 1.00 0.00 H new ATOM 0 HG LEU A 105 15.164 2.590 -16.377 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.060 2.917 -13.943 1.00 0.00 H new ATOM 0 HD12 LEU A 105 13.962 4.014 -14.814 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.312 2.584 -13.978 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.620 0.688 -14.889 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.908 0.208 -14.986 1.00 0.00 H new ATOM 0 HD23 LEU A 105 14.927 0.171 -16.445 1.00 0.00 H new ATOM 1716 N LEU A 106 14.223 5.377 -17.335 1.00 0.00 N ATOM 1717 CA LEU A 106 15.203 6.197 -18.024 1.00 0.00 C ATOM 1718 C LEU A 106 16.593 5.582 -17.843 1.00 0.00 C ATOM 1719 O LEU A 106 16.850 4.901 -16.852 1.00 0.00 O ATOM 1720 CB LEU A 106 15.109 7.652 -17.559 1.00 0.00 C ATOM 1721 CG LEU A 106 13.785 8.362 -17.846 1.00 0.00 C ATOM 1722 CD1 LEU A 106 12.682 7.864 -16.910 1.00 0.00 C ATOM 1723 CD2 LEU A 106 13.952 9.882 -17.776 1.00 0.00 C ATOM 0 H LEU A 106 14.055 5.640 -16.364 1.00 0.00 H new ATOM 0 HA LEU A 106 14.998 6.216 -19.094 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.289 7.682 -16.484 1.00 0.00 H new ATOM 0 HB3 LEU A 106 15.912 8.217 -18.033 1.00 0.00 H new ATOM 0 HG LEU A 106 13.480 8.117 -18.863 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.751 8.385 -17.135 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.541 6.792 -17.051 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.966 8.060 -15.876 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.996 10.363 -17.984 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.292 10.165 -16.780 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.687 10.202 -18.514 1.00 0.00 H new