USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 717 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 57 ASN :FLIP amide:sc= -0.356 F(o=-3.4!,f=-2.8) USER MOD Set 1.2: A 78 ASN : amide:sc= -2.49 X(o=-2.8,f=-3.3!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc=-0.00147 K(o=-0.0015,f=-0.61) USER MOD Single : A 18 ASN : amide:sc= -1.55 X(o=-1.5,f=-1.6) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 17:sc= -0.0807 USER MOD Single : A 37 SER OG : rot 180:sc= -0.645 USER MOD Single : A 39 SER OG : rot 180:sc= -1.09 USER MOD Single : A 41 TYR OH : rot 150:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= -0.0123 (180deg=-0.174) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -124:sc= -0.0296 (180deg=-0.712) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -2.63 F(o=-3.4!,f=-2.6) USER MOD Single : A 79 THR OG1 : rot 180:sc= -1.81 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00874) USER MOD Single : A 90 GLN : amide:sc= -0.945 K(o=-0.95,f=-2.3) USER MOD Single : A 95 CYS SG : rot -124:sc= -0.586 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -2.52 K(o=-2.5,f=-4.9!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0768) USER MOD Single : A 107 SER OG : rot 72:sc= -0.0329 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 9.982 12.025 4.855 1.00 0.00 N ATOM 67 CA VAL A 8 8.699 11.336 4.906 1.00 0.00 C ATOM 68 C VAL A 8 7.590 12.192 4.305 1.00 0.00 C ATOM 69 O VAL A 8 7.633 13.420 4.376 1.00 0.00 O ATOM 70 CB VAL A 8 8.318 10.964 6.352 1.00 0.00 C ATOM 71 CG1 VAL A 8 8.006 12.215 7.160 1.00 0.00 C ATOM 72 CG2 VAL A 8 7.138 10.004 6.362 1.00 0.00 C ATOM 0 HA VAL A 8 8.808 10.423 4.320 1.00 0.00 H new ATOM 0 HB VAL A 8 9.168 10.463 6.816 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.739 11.933 8.178 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.882 12.863 7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.173 12.747 6.700 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.883 9.752 7.391 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.281 10.476 5.881 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.403 9.096 5.821 1.00 0.00 H new ATOM 82 N ILE A 9 6.598 11.535 3.714 1.00 0.00 N ATOM 83 CA ILE A 9 5.476 12.236 3.101 1.00 0.00 C ATOM 84 C ILE A 9 4.162 11.873 3.783 1.00 0.00 C ATOM 85 O ILE A 9 3.277 12.715 3.937 1.00 0.00 O ATOM 86 CB ILE A 9 5.366 11.918 1.598 1.00 0.00 C ATOM 87 CG1 ILE A 9 6.511 12.582 0.829 1.00 0.00 C ATOM 88 CG2 ILE A 9 4.021 12.377 1.057 1.00 0.00 C ATOM 89 CD1 ILE A 9 6.417 12.399 -0.669 1.00 0.00 C ATOM 0 H ILE A 9 6.548 10.518 3.647 1.00 0.00 H new ATOM 0 HA ILE A 9 5.665 13.302 3.225 1.00 0.00 H new ATOM 0 HB ILE A 9 5.441 10.839 1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.521 13.648 1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.459 12.172 1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.958 12.145 -0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.220 11.862 1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.919 13.453 1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.260 12.895 -1.150 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.437 11.336 -0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.486 12.834 -1.031 1.00 0.00 H new ATOM 101 N ARG A 10 4.042 10.614 4.193 1.00 0.00 N ATOM 102 CA ARG A 10 2.835 10.140 4.860 1.00 0.00 C ATOM 103 C ARG A 10 3.103 8.834 5.602 1.00 0.00 C ATOM 104 O ARG A 10 3.901 8.008 5.158 1.00 0.00 O ATOM 105 CB ARG A 10 1.710 9.939 3.843 1.00 0.00 C ATOM 106 CG ARG A 10 0.326 9.885 4.469 1.00 0.00 C ATOM 107 CD ARG A 10 -0.253 11.278 4.663 1.00 0.00 C ATOM 108 NE ARG A 10 0.104 11.843 5.962 1.00 0.00 N ATOM 109 CZ ARG A 10 -0.288 13.043 6.374 1.00 0.00 C ATOM 110 NH1 ARG A 10 -1.046 13.801 5.593 1.00 0.00 N ATOM 111 NH2 ARG A 10 0.078 13.488 7.569 1.00 0.00 N ATOM 0 H ARG A 10 4.765 9.905 4.075 1.00 0.00 H new ATOM 0 HA ARG A 10 2.530 10.895 5.585 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.739 10.751 3.116 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.888 9.014 3.295 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.339 9.299 3.835 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.380 9.375 5.431 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.108 11.934 3.871 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.338 11.235 4.572 1.00 0.00 H new ATOM 0 HE ARG A 10 0.686 11.285 6.587 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.329 13.463 4.673 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.346 14.722 5.912 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.661 12.908 8.172 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.224 14.410 7.884 1.00 0.00 H new ATOM 125 N ARG A 11 2.431 8.655 6.735 1.00 0.00 N ATOM 126 CA ARG A 11 2.598 7.450 7.539 1.00 0.00 C ATOM 127 C ARG A 11 1.285 7.059 8.211 1.00 0.00 C ATOM 128 O ARG A 11 0.442 7.910 8.493 1.00 0.00 O ATOM 129 CB ARG A 11 3.680 7.665 8.599 1.00 0.00 C ATOM 130 CG ARG A 11 5.079 7.809 8.021 1.00 0.00 C ATOM 131 CD ARG A 11 6.146 7.572 9.078 1.00 0.00 C ATOM 132 NE ARG A 11 5.897 8.348 10.290 1.00 0.00 N ATOM 133 CZ ARG A 11 6.614 8.225 11.401 1.00 0.00 C ATOM 134 NH1 ARG A 11 7.619 7.362 11.453 1.00 0.00 N ATOM 135 NH2 ARG A 11 6.327 8.966 12.463 1.00 0.00 N ATOM 0 H ARG A 11 1.767 9.328 7.116 1.00 0.00 H new ATOM 0 HA ARG A 11 2.903 6.640 6.876 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.440 8.559 9.175 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.668 6.825 9.294 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.211 7.100 7.204 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.199 8.807 7.599 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.180 6.511 9.327 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.123 7.836 8.673 1.00 0.00 H new ATOM 0 HE ARG A 11 5.131 9.021 10.283 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.843 6.791 10.638 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.168 7.270 12.308 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.555 9.631 12.427 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.879 8.870 13.316 1.00 0.00 H new ATOM 149 N GLY A 12 1.117 5.764 8.463 1.00 0.00 N ATOM 150 CA GLY A 12 -0.095 5.283 9.098 1.00 0.00 C ATOM 151 C GLY A 12 -0.173 3.769 9.127 1.00 0.00 C ATOM 152 O GLY A 12 0.509 3.091 8.358 1.00 0.00 O ATOM 0 H GLY A 12 1.799 5.040 8.238 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.144 5.666 10.117 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.961 5.678 8.567 1.00 0.00 H new ATOM 156 N TRP A 13 -1.004 3.238 10.017 1.00 0.00 N ATOM 157 CA TRP A 13 -1.166 1.794 10.144 1.00 0.00 C ATOM 158 C TRP A 13 -2.161 1.266 9.116 1.00 0.00 C ATOM 159 O TRP A 13 -3.364 1.508 9.220 1.00 0.00 O ATOM 160 CB TRP A 13 -1.634 1.436 11.555 1.00 0.00 C ATOM 161 CG TRP A 13 -0.587 1.663 12.603 1.00 0.00 C ATOM 162 CD1 TRP A 13 -0.281 2.846 13.213 1.00 0.00 C ATOM 163 CD2 TRP A 13 0.292 0.681 13.164 1.00 0.00 C ATOM 164 NE1 TRP A 13 0.736 2.659 14.118 1.00 0.00 N ATOM 165 CE2 TRP A 13 1.104 1.340 14.107 1.00 0.00 C ATOM 166 CE3 TRP A 13 0.470 -0.690 12.962 1.00 0.00 C ATOM 167 CZ2 TRP A 13 2.079 0.672 14.844 1.00 0.00 C ATOM 168 CZ3 TRP A 13 1.438 -1.351 13.694 1.00 0.00 C ATOM 169 CH2 TRP A 13 2.232 -0.670 14.626 1.00 0.00 C ATOM 0 H TRP A 13 -1.576 3.785 10.661 1.00 0.00 H new ATOM 0 HA TRP A 13 -0.199 1.326 9.960 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.516 2.028 11.799 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.937 0.389 11.575 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.767 3.790 13.013 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.150 3.385 14.703 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -0.138 -1.224 12.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 2.693 1.195 15.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.585 -2.411 13.545 1.00 0.00 H new ATOM 0 HH2 TRP A 13 2.979 -1.215 15.183 1.00 0.00 H new ATOM 180 N LEU A 14 -1.652 0.544 8.124 1.00 0.00 N ATOM 181 CA LEU A 14 -2.496 -0.020 7.076 1.00 0.00 C ATOM 182 C LEU A 14 -2.692 -1.518 7.282 1.00 0.00 C ATOM 183 O LEU A 14 -1.767 -2.229 7.678 1.00 0.00 O ATOM 184 CB LEU A 14 -1.879 0.241 5.701 1.00 0.00 C ATOM 185 CG LEU A 14 -2.247 1.571 5.042 1.00 0.00 C ATOM 186 CD1 LEU A 14 -1.490 1.747 3.735 1.00 0.00 C ATOM 187 CD2 LEU A 14 -3.748 1.652 4.805 1.00 0.00 C ATOM 0 H LEU A 14 -0.659 0.335 8.023 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.470 0.466 7.128 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.794 0.194 5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.176 -0.567 5.032 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.961 2.379 5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.765 2.699 3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.418 1.735 3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.744 0.934 3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.991 2.605 4.335 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.058 0.836 4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.272 1.573 5.758 1.00 0.00 H new ATOM 199 N THR A 15 -3.903 -1.995 7.008 1.00 0.00 N ATOM 200 CA THR A 15 -4.220 -3.409 7.162 1.00 0.00 C ATOM 201 C THR A 15 -4.325 -4.100 5.807 1.00 0.00 C ATOM 202 O THR A 15 -5.359 -4.030 5.143 1.00 0.00 O ATOM 203 CB THR A 15 -5.541 -3.608 7.930 1.00 0.00 C ATOM 204 OG1 THR A 15 -5.439 -3.030 9.236 1.00 0.00 O ATOM 205 CG2 THR A 15 -5.880 -5.086 8.049 1.00 0.00 C ATOM 0 H THR A 15 -4.680 -1.422 6.678 1.00 0.00 H new ATOM 0 HA THR A 15 -3.405 -3.855 7.732 1.00 0.00 H new ATOM 0 HB THR A 15 -6.337 -3.113 7.375 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.283 -3.159 9.718 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.816 -5.202 8.595 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.985 -5.517 7.053 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.082 -5.600 8.584 1.00 0.00 H new ATOM 213 N ILE A 16 -3.248 -4.765 5.403 1.00 0.00 N ATOM 214 CA ILE A 16 -3.221 -5.470 4.127 1.00 0.00 C ATOM 215 C ILE A 16 -4.329 -6.514 4.052 1.00 0.00 C ATOM 216 O ILE A 16 -4.131 -7.672 4.417 1.00 0.00 O ATOM 217 CB ILE A 16 -1.864 -6.161 3.895 1.00 0.00 C ATOM 218 CG1 ILE A 16 -0.725 -5.144 3.999 1.00 0.00 C ATOM 219 CG2 ILE A 16 -1.845 -6.849 2.538 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.651 -5.770 3.940 1.00 0.00 C ATOM 0 H ILE A 16 -2.383 -4.831 5.940 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.377 -4.722 3.350 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.722 -6.918 4.666 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.821 -4.419 3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.825 -4.593 4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.880 -7.333 2.389 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.636 -7.598 2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.006 -6.110 1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.409 -4.991 4.019 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.766 -6.474 4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.771 -6.297 2.994 1.00 0.00 H new ATOM 232 N ASN A 17 -5.497 -6.096 3.575 1.00 0.00 N ATOM 233 CA ASN A 17 -6.638 -6.996 3.450 1.00 0.00 C ATOM 234 C ASN A 17 -6.233 -8.297 2.765 1.00 0.00 C ATOM 235 O ASN A 17 -6.845 -9.341 2.981 1.00 0.00 O ATOM 236 CB ASN A 17 -7.763 -6.320 2.662 1.00 0.00 C ATOM 237 CG ASN A 17 -8.687 -5.512 3.552 1.00 0.00 C ATOM 238 OD1 ASN A 17 -8.294 -5.062 4.628 1.00 0.00 O ATOM 239 ND2 ASN A 17 -9.924 -5.325 3.105 1.00 0.00 N ATOM 0 H ASN A 17 -5.678 -5.140 3.269 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.995 -7.231 4.453 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.330 -5.667 1.904 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.342 -7.079 2.136 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.591 -4.790 3.660 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.206 -5.717 2.207 1.00 0.00 H new ATOM 246 N ASN A 18 -5.195 -8.225 1.937 1.00 0.00 N ATOM 247 CA ASN A 18 -4.707 -9.398 1.220 1.00 0.00 C ATOM 248 C ASN A 18 -3.197 -9.547 1.385 1.00 0.00 C ATOM 249 O ASN A 18 -2.420 -8.938 0.650 1.00 0.00 O ATOM 250 CB ASN A 18 -5.061 -9.297 -0.265 1.00 0.00 C ATOM 251 CG ASN A 18 -4.125 -10.108 -1.139 1.00 0.00 C ATOM 252 OD1 ASN A 18 -3.789 -11.248 -0.818 1.00 0.00 O ATOM 253 ND2 ASN A 18 -3.698 -9.522 -2.252 1.00 0.00 N ATOM 0 H ASN A 18 -4.676 -7.368 1.746 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.190 -10.279 1.643 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.084 -9.641 -0.416 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.027 -8.252 -0.573 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.066 -10.019 -2.880 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.002 -8.575 -2.479 1.00 0.00 H new ATOM 395 N GLU A 28 -1.799 -6.400 9.646 1.00 0.00 N ATOM 396 CA GLU A 28 -1.524 -5.010 9.992 1.00 0.00 C ATOM 397 C GLU A 28 -0.026 -4.721 9.935 1.00 0.00 C ATOM 398 O GLU A 28 0.796 -5.586 10.240 1.00 0.00 O ATOM 399 CB GLU A 28 -2.063 -4.693 11.388 1.00 0.00 C ATOM 400 CG GLU A 28 -1.982 -3.220 11.752 1.00 0.00 C ATOM 401 CD GLU A 28 -3.063 -2.800 12.729 1.00 0.00 C ATOM 402 OE1 GLU A 28 -4.247 -3.103 12.471 1.00 0.00 O ATOM 403 OE2 GLU A 28 -2.724 -2.169 13.752 1.00 0.00 O ATOM 0 HA GLU A 28 -2.027 -4.374 9.263 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.102 -5.017 11.449 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.505 -5.272 12.124 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.004 -3.010 12.186 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.064 -2.621 10.845 1.00 0.00 H new ATOM 410 N TYR A 29 0.320 -3.501 9.542 1.00 0.00 N ATOM 411 CA TYR A 29 1.718 -3.098 9.442 1.00 0.00 C ATOM 412 C TYR A 29 1.854 -1.580 9.522 1.00 0.00 C ATOM 413 O TYR A 29 0.866 -0.865 9.686 1.00 0.00 O ATOM 414 CB TYR A 29 2.325 -3.608 8.134 1.00 0.00 C ATOM 415 CG TYR A 29 2.507 -5.108 8.095 1.00 0.00 C ATOM 416 CD1 TYR A 29 1.440 -5.949 7.800 1.00 0.00 C ATOM 417 CD2 TYR A 29 3.743 -5.685 8.355 1.00 0.00 C ATOM 418 CE1 TYR A 29 1.601 -7.321 7.764 1.00 0.00 C ATOM 419 CE2 TYR A 29 3.914 -7.056 8.320 1.00 0.00 C ATOM 420 CZ TYR A 29 2.840 -7.869 8.024 1.00 0.00 C ATOM 421 OH TYR A 29 3.005 -9.235 7.990 1.00 0.00 O ATOM 0 H TYR A 29 -0.348 -2.773 9.287 1.00 0.00 H new ATOM 0 HA TYR A 29 2.258 -3.538 10.281 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.685 -3.306 7.305 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.292 -3.129 7.981 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.469 -5.523 7.596 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.586 -5.051 8.589 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.762 -7.961 7.534 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.883 -7.488 8.523 1.00 0.00 H new ATOM 0 HH TYR A 29 3.937 -9.457 8.195 1.00 0.00 H new ATOM 431 N TRP A 30 3.086 -1.097 9.403 1.00 0.00 N ATOM 432 CA TRP A 30 3.353 0.336 9.461 1.00 0.00 C ATOM 433 C TRP A 30 3.908 0.840 8.133 1.00 0.00 C ATOM 434 O TRP A 30 5.115 0.790 7.895 1.00 0.00 O ATOM 435 CB TRP A 30 4.336 0.647 10.590 1.00 0.00 C ATOM 436 CG TRP A 30 4.755 2.085 10.634 1.00 0.00 C ATOM 437 CD1 TRP A 30 5.984 2.591 10.319 1.00 0.00 C ATOM 438 CD2 TRP A 30 3.945 3.202 11.016 1.00 0.00 C ATOM 439 NE1 TRP A 30 5.987 3.955 10.483 1.00 0.00 N ATOM 440 CE2 TRP A 30 4.748 4.355 10.909 1.00 0.00 C ATOM 441 CE3 TRP A 30 2.620 3.342 11.436 1.00 0.00 C ATOM 442 CZ2 TRP A 30 4.268 5.627 11.208 1.00 0.00 C ATOM 443 CZ3 TRP A 30 2.145 4.605 11.733 1.00 0.00 C ATOM 444 CH2 TRP A 30 2.966 5.734 11.617 1.00 0.00 C ATOM 0 H TRP A 30 3.915 -1.676 9.266 1.00 0.00 H new ATOM 0 HA TRP A 30 2.411 0.849 9.658 1.00 0.00 H new ATOM 0 HB2 TRP A 30 3.880 0.380 11.543 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.221 0.022 10.474 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.829 2.005 9.989 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.783 4.570 10.315 1.00 0.00 H new ATOM 0 HE3 TRP A 30 1.978 2.478 11.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.900 6.498 11.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.123 4.724 12.060 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.564 6.708 11.855 1.00 0.00 H new ATOM 455 N PHE A 31 3.021 1.325 7.271 1.00 0.00 N ATOM 456 CA PHE A 31 3.424 1.838 5.967 1.00 0.00 C ATOM 457 C PHE A 31 4.008 3.242 6.091 1.00 0.00 C ATOM 458 O PHE A 31 3.361 4.152 6.609 1.00 0.00 O ATOM 459 CB PHE A 31 2.229 1.853 5.011 1.00 0.00 C ATOM 460 CG PHE A 31 1.855 0.492 4.497 1.00 0.00 C ATOM 461 CD1 PHE A 31 1.393 -0.487 5.362 1.00 0.00 C ATOM 462 CD2 PHE A 31 1.966 0.191 3.149 1.00 0.00 C ATOM 463 CE1 PHE A 31 1.049 -1.740 4.891 1.00 0.00 C ATOM 464 CE2 PHE A 31 1.624 -1.060 2.673 1.00 0.00 C ATOM 465 CZ PHE A 31 1.163 -2.027 3.545 1.00 0.00 C ATOM 0 H PHE A 31 2.018 1.374 7.452 1.00 0.00 H new ATOM 0 HA PHE A 31 4.194 1.178 5.567 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.370 2.288 5.522 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.459 2.501 4.165 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.301 -0.269 6.416 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.324 0.944 2.462 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.691 -2.495 5.576 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.717 -1.282 1.620 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.892 -3.005 3.175 1.00 0.00 H new ATOM 475 N VAL A 32 5.237 3.409 5.613 1.00 0.00 N ATOM 476 CA VAL A 32 5.909 4.701 5.669 1.00 0.00 C ATOM 477 C VAL A 32 6.245 5.208 4.270 1.00 0.00 C ATOM 478 O VAL A 32 7.347 4.987 3.766 1.00 0.00 O ATOM 479 CB VAL A 32 7.204 4.625 6.499 1.00 0.00 C ATOM 480 CG1 VAL A 32 7.959 5.943 6.435 1.00 0.00 C ATOM 481 CG2 VAL A 32 6.891 4.250 7.940 1.00 0.00 C ATOM 0 H VAL A 32 5.787 2.666 5.183 1.00 0.00 H new ATOM 0 HA VAL A 32 5.219 5.395 6.148 1.00 0.00 H new ATOM 0 HB VAL A 32 7.841 3.849 6.075 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.871 5.869 7.028 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.216 6.165 5.399 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.332 6.741 6.832 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.817 4.201 8.513 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.234 5.002 8.377 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.397 3.278 7.964 1.00 0.00 H new ATOM 491 N LEU A 33 5.288 5.888 3.648 1.00 0.00 N ATOM 492 CA LEU A 33 5.482 6.427 2.307 1.00 0.00 C ATOM 493 C LEU A 33 6.437 7.617 2.330 1.00 0.00 C ATOM 494 O LEU A 33 6.162 8.635 2.966 1.00 0.00 O ATOM 495 CB LEU A 33 4.139 6.848 1.706 1.00 0.00 C ATOM 496 CG LEU A 33 4.208 7.666 0.416 1.00 0.00 C ATOM 497 CD1 LEU A 33 4.225 6.748 -0.797 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.039 8.636 0.337 1.00 0.00 C ATOM 0 H LEU A 33 4.371 6.079 4.051 1.00 0.00 H new ATOM 0 HA LEU A 33 5.921 5.645 1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.553 5.950 1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.596 7.428 2.452 1.00 0.00 H new ATOM 0 HG LEU A 33 5.133 8.243 0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.274 7.347 -1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.095 6.094 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.318 6.144 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.104 9.210 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.102 8.079 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.072 9.315 1.189 1.00 0.00 H new ATOM 510 N THR A 34 7.559 7.482 1.631 1.00 0.00 N ATOM 511 CA THR A 34 8.554 8.545 1.571 1.00 0.00 C ATOM 512 C THR A 34 8.802 8.986 0.132 1.00 0.00 C ATOM 513 O THR A 34 8.698 8.187 -0.798 1.00 0.00 O ATOM 514 CB THR A 34 9.890 8.101 2.197 1.00 0.00 C ATOM 515 OG1 THR A 34 10.181 6.750 1.822 1.00 0.00 O ATOM 516 CG2 THR A 34 9.840 8.213 3.713 1.00 0.00 C ATOM 0 H THR A 34 7.802 6.647 1.098 1.00 0.00 H new ATOM 0 HA THR A 34 8.155 9.383 2.142 1.00 0.00 H new ATOM 0 HB THR A 34 10.677 8.758 1.826 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.625 6.496 1.056 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.794 7.894 4.133 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.647 9.248 3.995 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.043 7.577 4.099 1.00 0.00 H new ATOM 524 N ALA A 35 9.130 10.261 -0.043 1.00 0.00 N ATOM 525 CA ALA A 35 9.396 10.807 -1.368 1.00 0.00 C ATOM 526 C ALA A 35 10.380 9.931 -2.135 1.00 0.00 C ATOM 527 O ALA A 35 10.486 10.025 -3.358 1.00 0.00 O ATOM 528 CB ALA A 35 9.927 12.229 -1.257 1.00 0.00 C ATOM 0 H ALA A 35 9.218 10.936 0.717 1.00 0.00 H new ATOM 0 HA ALA A 35 8.457 10.824 -1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.121 12.624 -2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.188 12.855 -0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 35 10.852 12.228 -0.681 1.00 0.00 H new ATOM 534 N GLU A 36 11.100 9.081 -1.409 1.00 0.00 N ATOM 535 CA GLU A 36 12.077 8.190 -2.023 1.00 0.00 C ATOM 536 C GLU A 36 11.427 6.873 -2.438 1.00 0.00 C ATOM 537 O GLU A 36 11.510 6.465 -3.597 1.00 0.00 O ATOM 538 CB GLU A 36 13.231 7.919 -1.056 1.00 0.00 C ATOM 539 CG GLU A 36 12.837 8.027 0.408 1.00 0.00 C ATOM 540 CD GLU A 36 13.967 7.646 1.345 1.00 0.00 C ATOM 541 OE1 GLU A 36 14.849 6.869 0.925 1.00 0.00 O ATOM 542 OE2 GLU A 36 13.968 8.125 2.499 1.00 0.00 O ATOM 0 H GLU A 36 11.025 8.991 -0.396 1.00 0.00 H new ATOM 0 HA GLU A 36 12.467 8.680 -2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.625 6.920 -1.245 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.037 8.624 -1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.522 9.048 0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.979 7.382 0.598 1.00 0.00 H new ATOM 549 N SER A 37 10.781 6.212 -1.483 1.00 0.00 N ATOM 550 CA SER A 37 10.120 4.939 -1.747 1.00 0.00 C ATOM 551 C SER A 37 9.062 4.646 -0.688 1.00 0.00 C ATOM 552 O SER A 37 8.864 5.429 0.242 1.00 0.00 O ATOM 553 CB SER A 37 11.147 3.806 -1.786 1.00 0.00 C ATOM 554 OG SER A 37 12.381 4.254 -2.319 1.00 0.00 O ATOM 0 H SER A 37 10.701 6.537 -0.519 1.00 0.00 H new ATOM 0 HA SER A 37 9.628 5.007 -2.717 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.302 3.417 -0.780 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.763 2.984 -2.390 1.00 0.00 H new ATOM 0 HG SER A 37 13.021 3.512 -2.332 1.00 0.00 H new ATOM 560 N LEU A 38 8.385 3.512 -0.835 1.00 0.00 N ATOM 561 CA LEU A 38 7.347 3.113 0.109 1.00 0.00 C ATOM 562 C LEU A 38 7.670 1.761 0.736 1.00 0.00 C ATOM 563 O LEU A 38 7.768 0.750 0.039 1.00 0.00 O ATOM 564 CB LEU A 38 5.989 3.051 -0.593 1.00 0.00 C ATOM 565 CG LEU A 38 4.899 2.254 0.124 1.00 0.00 C ATOM 566 CD1 LEU A 38 4.523 2.924 1.437 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.675 2.102 -0.768 1.00 0.00 C ATOM 0 H LEU A 38 8.536 2.853 -1.599 1.00 0.00 H new ATOM 0 HA LEU A 38 7.306 3.859 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.630 4.070 -0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.134 2.620 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 38 5.289 1.260 0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.746 2.342 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.401 2.981 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.153 3.930 1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.910 1.532 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.284 3.088 -1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.954 1.577 -1.682 1.00 0.00 H new ATOM 579 N SER A 39 7.833 1.749 2.055 1.00 0.00 N ATOM 580 CA SER A 39 8.148 0.521 2.775 1.00 0.00 C ATOM 581 C SER A 39 7.254 0.368 4.003 1.00 0.00 C ATOM 582 O SER A 39 6.785 1.355 4.569 1.00 0.00 O ATOM 583 CB SER A 39 9.618 0.514 3.197 1.00 0.00 C ATOM 584 OG SER A 39 10.463 0.835 2.105 1.00 0.00 O ATOM 0 H SER A 39 7.752 2.576 2.647 1.00 0.00 H new ATOM 0 HA SER A 39 7.966 -0.320 2.106 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.772 1.231 4.003 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.882 -0.468 3.589 1.00 0.00 H new ATOM 0 HG SER A 39 11.397 0.826 2.401 1.00 0.00 H new ATOM 590 N TRP A 40 7.024 -0.876 4.407 1.00 0.00 N ATOM 591 CA TRP A 40 6.187 -1.160 5.567 1.00 0.00 C ATOM 592 C TRP A 40 6.968 -1.929 6.627 1.00 0.00 C ATOM 593 O TRP A 40 7.698 -2.869 6.313 1.00 0.00 O ATOM 594 CB TRP A 40 4.951 -1.957 5.147 1.00 0.00 C ATOM 595 CG TRP A 40 5.262 -3.085 4.210 1.00 0.00 C ATOM 596 CD1 TRP A 40 5.526 -4.382 4.547 1.00 0.00 C ATOM 597 CD2 TRP A 40 5.344 -3.015 2.782 1.00 0.00 C ATOM 598 NE1 TRP A 40 5.767 -5.123 3.415 1.00 0.00 N ATOM 599 CE2 TRP A 40 5.660 -4.308 2.319 1.00 0.00 C ATOM 600 CE3 TRP A 40 5.178 -1.988 1.850 1.00 0.00 C ATOM 601 CZ2 TRP A 40 5.815 -4.596 0.966 1.00 0.00 C ATOM 602 CZ3 TRP A 40 5.332 -2.276 0.507 1.00 0.00 C ATOM 603 CH2 TRP A 40 5.647 -3.571 0.075 1.00 0.00 C ATOM 0 H TRP A 40 7.405 -1.704 3.949 1.00 0.00 H new ATOM 0 HA TRP A 40 5.869 -0.210 5.996 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.466 -2.357 6.037 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.238 -1.284 4.670 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.543 -4.769 5.555 1.00 0.00 H new ATOM 0 HE1 TRP A 40 5.989 -6.118 3.394 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.934 -0.987 2.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.059 -5.593 0.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.207 -1.489 -0.222 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.759 -3.764 -0.982 1.00 0.00 H new ATOM 614 N TYR A 41 6.809 -1.524 7.882 1.00 0.00 N ATOM 615 CA TYR A 41 7.502 -2.175 8.988 1.00 0.00 C ATOM 616 C TYR A 41 6.508 -2.702 10.018 1.00 0.00 C ATOM 617 O TYR A 41 5.294 -2.602 9.837 1.00 0.00 O ATOM 618 CB TYR A 41 8.474 -1.199 9.653 1.00 0.00 C ATOM 619 CG TYR A 41 9.362 -0.466 8.673 1.00 0.00 C ATOM 620 CD1 TYR A 41 8.820 0.381 7.713 1.00 0.00 C ATOM 621 CD2 TYR A 41 10.742 -0.621 8.705 1.00 0.00 C ATOM 622 CE1 TYR A 41 9.627 1.052 6.815 1.00 0.00 C ATOM 623 CE2 TYR A 41 11.557 0.048 7.812 1.00 0.00 C ATOM 624 CZ TYR A 41 10.994 0.883 6.869 1.00 0.00 C ATOM 625 OH TYR A 41 11.802 1.549 5.976 1.00 0.00 O ATOM 0 H TYR A 41 6.207 -0.749 8.159 1.00 0.00 H new ATOM 0 HA TYR A 41 8.063 -3.019 8.586 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.905 -0.470 10.231 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.100 -1.746 10.358 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.749 0.517 7.669 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.186 -1.276 9.441 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.189 1.705 6.075 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.628 -0.082 7.852 1.00 0.00 H new ATOM 0 HH TYR A 41 12.672 1.726 6.391 1.00 0.00 H new ATOM 635 N LYS A 42 7.032 -3.264 11.103 1.00 0.00 N ATOM 636 CA LYS A 42 6.194 -3.806 12.165 1.00 0.00 C ATOM 637 C LYS A 42 5.437 -2.693 12.883 1.00 0.00 C ATOM 638 O LYS A 42 4.208 -2.709 12.953 1.00 0.00 O ATOM 639 CB LYS A 42 7.047 -4.586 13.168 1.00 0.00 C ATOM 640 CG LYS A 42 7.284 -6.032 12.770 1.00 0.00 C ATOM 641 CD LYS A 42 8.293 -6.705 13.685 1.00 0.00 C ATOM 642 CE LYS A 42 7.666 -7.091 15.017 1.00 0.00 C ATOM 643 NZ LYS A 42 6.718 -8.230 14.874 1.00 0.00 N ATOM 0 H LYS A 42 8.034 -3.356 11.269 1.00 0.00 H new ATOM 0 HA LYS A 42 5.468 -4.481 11.712 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.009 -4.086 13.280 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.560 -4.561 14.143 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.341 -6.578 12.802 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.641 -6.073 11.741 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.691 -7.595 13.197 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.134 -6.033 13.858 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.451 -7.359 15.724 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.141 -6.232 15.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.508 -8.627 15.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.837 -7.895 14.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.146 -8.965 14.275 1.00 0.00 H new ATOM 657 N ASP A 43 6.179 -1.726 13.413 1.00 0.00 N ATOM 658 CA ASP A 43 5.577 -0.603 14.123 1.00 0.00 C ATOM 659 C ASP A 43 6.131 0.723 13.611 1.00 0.00 C ATOM 660 O ASP A 43 6.929 0.752 12.675 1.00 0.00 O ATOM 661 CB ASP A 43 5.830 -0.729 15.627 1.00 0.00 C ATOM 662 CG ASP A 43 5.637 -2.146 16.130 1.00 0.00 C ATOM 663 OD1 ASP A 43 4.473 -2.584 16.238 1.00 0.00 O ATOM 664 OD2 ASP A 43 6.651 -2.817 16.416 1.00 0.00 O ATOM 0 H ASP A 43 7.197 -1.697 13.364 1.00 0.00 H new ATOM 0 HA ASP A 43 4.503 -0.622 13.940 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.846 -0.403 15.850 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.156 -0.061 16.163 1.00 0.00 H new ATOM 669 N GLU A 44 5.701 1.817 14.232 1.00 0.00 N ATOM 670 CA GLU A 44 6.153 3.146 13.836 1.00 0.00 C ATOM 671 C GLU A 44 7.649 3.309 14.088 1.00 0.00 C ATOM 672 O GLU A 44 8.300 4.161 13.485 1.00 0.00 O ATOM 673 CB GLU A 44 5.376 4.221 14.599 1.00 0.00 C ATOM 674 CG GLU A 44 3.871 4.008 14.587 1.00 0.00 C ATOM 675 CD GLU A 44 3.133 5.015 15.448 1.00 0.00 C ATOM 676 OE1 GLU A 44 3.160 4.866 16.688 1.00 0.00 O ATOM 677 OE2 GLU A 44 2.529 5.950 14.883 1.00 0.00 O ATOM 0 H GLU A 44 5.041 1.809 15.010 1.00 0.00 H new ATOM 0 HA GLU A 44 5.967 3.262 12.768 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.723 4.244 15.632 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.600 5.196 14.166 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.506 4.075 13.562 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.647 3.001 14.939 1.00 0.00 H new ATOM 684 N GLU A 45 8.186 2.486 14.984 1.00 0.00 N ATOM 685 CA GLU A 45 9.604 2.540 15.316 1.00 0.00 C ATOM 686 C GLU A 45 10.461 2.188 14.104 1.00 0.00 C ATOM 687 O GLU A 45 11.576 2.687 13.953 1.00 0.00 O ATOM 688 CB GLU A 45 9.917 1.586 16.470 1.00 0.00 C ATOM 689 CG GLU A 45 9.650 2.182 17.842 1.00 0.00 C ATOM 690 CD GLU A 45 10.849 2.922 18.401 1.00 0.00 C ATOM 691 OE1 GLU A 45 11.914 2.290 18.565 1.00 0.00 O ATOM 692 OE2 GLU A 45 10.723 4.135 18.673 1.00 0.00 O ATOM 0 H GLU A 45 7.660 1.775 15.492 1.00 0.00 H new ATOM 0 HA GLU A 45 9.840 3.559 15.622 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.321 0.681 16.354 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.964 1.288 16.410 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.803 2.866 17.778 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.366 1.386 18.530 1.00 0.00 H new ATOM 699 N GLU A 46 9.932 1.324 13.243 1.00 0.00 N ATOM 700 CA GLU A 46 10.649 0.903 12.045 1.00 0.00 C ATOM 701 C GLU A 46 11.981 0.254 12.408 1.00 0.00 C ATOM 702 O GLU A 46 12.993 0.471 11.741 1.00 0.00 O ATOM 703 CB GLU A 46 10.886 2.099 11.120 1.00 0.00 C ATOM 704 CG GLU A 46 9.616 2.642 10.487 1.00 0.00 C ATOM 705 CD GLU A 46 9.765 4.075 10.016 1.00 0.00 C ATOM 706 OE1 GLU A 46 9.963 4.963 10.872 1.00 0.00 O ATOM 707 OE2 GLU A 46 9.684 4.309 8.792 1.00 0.00 O ATOM 0 H GLU A 46 9.010 0.902 13.353 1.00 0.00 H new ATOM 0 HA GLU A 46 10.036 0.166 11.525 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.368 2.895 11.687 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.578 1.805 10.331 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.338 2.013 9.641 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.801 2.584 11.209 1.00 0.00 H new ATOM 714 N LYS A 47 11.973 -0.544 13.470 1.00 0.00 N ATOM 715 CA LYS A 47 13.179 -1.226 13.924 1.00 0.00 C ATOM 716 C LYS A 47 13.521 -2.395 13.005 1.00 0.00 C ATOM 717 O LYS A 47 14.677 -2.580 12.626 1.00 0.00 O ATOM 718 CB LYS A 47 12.998 -1.728 15.358 1.00 0.00 C ATOM 719 CG LYS A 47 11.839 -2.696 15.522 1.00 0.00 C ATOM 720 CD LYS A 47 11.463 -2.874 16.983 1.00 0.00 C ATOM 721 CE LYS A 47 9.994 -3.235 17.141 1.00 0.00 C ATOM 722 NZ LYS A 47 9.740 -3.991 18.398 1.00 0.00 N ATOM 0 H LYS A 47 11.144 -0.735 14.033 1.00 0.00 H new ATOM 0 HA LYS A 47 14.002 -0.511 13.897 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.917 -2.217 15.682 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.842 -0.873 16.016 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.976 -2.330 14.966 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.107 -3.662 15.094 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.080 -3.655 17.426 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.673 -1.954 17.529 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.394 -2.325 17.137 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.673 -3.832 16.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.727 -4.218 18.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.293 -4.872 18.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.022 -3.412 19.214 1.00 0.00 H new ATOM 736 N GLU A 48 12.508 -3.178 12.650 1.00 0.00 N ATOM 737 CA GLU A 48 12.703 -4.328 11.774 1.00 0.00 C ATOM 738 C GLU A 48 11.991 -4.123 10.440 1.00 0.00 C ATOM 739 O GLU A 48 10.788 -4.356 10.322 1.00 0.00 O ATOM 740 CB GLU A 48 12.190 -5.603 12.448 1.00 0.00 C ATOM 741 CG GLU A 48 13.036 -6.051 13.628 1.00 0.00 C ATOM 742 CD GLU A 48 14.218 -6.902 13.208 1.00 0.00 C ATOM 743 OE1 GLU A 48 14.060 -8.138 13.126 1.00 0.00 O ATOM 744 OE2 GLU A 48 15.302 -6.332 12.962 1.00 0.00 O ATOM 0 H GLU A 48 11.545 -3.038 12.955 1.00 0.00 H new ATOM 0 HA GLU A 48 13.771 -4.431 11.584 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.167 -5.438 12.787 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.156 -6.405 11.711 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.397 -5.174 14.165 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.414 -6.616 14.322 1.00 0.00 H new ATOM 751 N LYS A 49 12.743 -3.685 9.436 1.00 0.00 N ATOM 752 CA LYS A 49 12.187 -3.448 8.109 1.00 0.00 C ATOM 753 C LYS A 49 11.828 -4.764 7.427 1.00 0.00 C ATOM 754 O LYS A 49 12.597 -5.726 7.466 1.00 0.00 O ATOM 755 CB LYS A 49 13.184 -2.670 7.248 1.00 0.00 C ATOM 756 CG LYS A 49 12.578 -2.109 5.973 1.00 0.00 C ATOM 757 CD LYS A 49 13.442 -1.006 5.383 1.00 0.00 C ATOM 758 CE LYS A 49 14.724 -1.563 4.784 1.00 0.00 C ATOM 759 NZ LYS A 49 15.826 -1.618 5.785 1.00 0.00 N ATOM 0 H LYS A 49 13.740 -3.487 9.516 1.00 0.00 H new ATOM 0 HA LYS A 49 11.277 -2.858 8.223 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.596 -1.850 7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 49 14.015 -3.325 6.988 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.459 -2.909 5.243 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.582 -1.719 6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.881 -0.475 4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.687 -0.280 6.158 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.538 -2.564 4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 49 15.030 -0.944 3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.646 -1.088 5.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 15.504 -1.196 6.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 16.098 -2.608 5.948 1.00 0.00 H new ATOM 773 N LYS A 50 10.657 -4.801 6.801 1.00 0.00 N ATOM 774 CA LYS A 50 10.197 -5.998 6.107 1.00 0.00 C ATOM 775 C LYS A 50 10.619 -5.973 4.642 1.00 0.00 C ATOM 776 O LYS A 50 11.462 -6.763 4.216 1.00 0.00 O ATOM 777 CB LYS A 50 8.674 -6.117 6.208 1.00 0.00 C ATOM 778 CG LYS A 50 8.177 -6.387 7.618 1.00 0.00 C ATOM 779 CD LYS A 50 8.291 -7.859 7.976 1.00 0.00 C ATOM 780 CE LYS A 50 8.375 -8.061 9.482 1.00 0.00 C ATOM 781 NZ LYS A 50 7.027 -8.227 10.094 1.00 0.00 N ATOM 0 H LYS A 50 10.008 -4.015 6.760 1.00 0.00 H new ATOM 0 HA LYS A 50 10.656 -6.864 6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.221 -5.196 5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.336 -6.920 5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.753 -5.793 8.328 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.138 -6.069 7.706 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.429 -8.398 7.583 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.176 -8.283 7.501 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.983 -8.940 9.697 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.878 -7.207 9.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.126 -8.362 11.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.455 -7.378 9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.557 -9.057 9.679 1.00 0.00 H new ATOM 795 N TYR A 51 10.030 -5.062 3.876 1.00 0.00 N ATOM 796 CA TYR A 51 10.345 -4.936 2.458 1.00 0.00 C ATOM 797 C TYR A 51 10.212 -3.488 1.997 1.00 0.00 C ATOM 798 O TYR A 51 9.565 -2.673 2.654 1.00 0.00 O ATOM 799 CB TYR A 51 9.426 -5.834 1.628 1.00 0.00 C ATOM 800 CG TYR A 51 9.843 -5.954 0.180 1.00 0.00 C ATOM 801 CD1 TYR A 51 10.729 -6.943 -0.229 1.00 0.00 C ATOM 802 CD2 TYR A 51 9.350 -5.078 -0.780 1.00 0.00 C ATOM 803 CE1 TYR A 51 11.113 -7.056 -1.551 1.00 0.00 C ATOM 804 CE2 TYR A 51 9.728 -5.184 -2.105 1.00 0.00 C ATOM 805 CZ TYR A 51 10.610 -6.174 -2.485 1.00 0.00 C ATOM 806 OH TYR A 51 10.989 -6.284 -3.804 1.00 0.00 O ATOM 0 H TYR A 51 9.332 -4.400 4.213 1.00 0.00 H new ATOM 0 HA TYR A 51 11.378 -5.251 2.312 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.404 -6.828 2.074 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.410 -5.441 1.673 1.00 0.00 H new ATOM 0 HD1 TYR A 51 11.124 -7.635 0.499 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.660 -4.301 -0.485 1.00 0.00 H new ATOM 0 HE1 TYR A 51 11.803 -7.830 -1.852 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.335 -4.496 -2.839 1.00 0.00 H new ATOM 0 HH TYR A 51 10.544 -5.588 -4.331 1.00 0.00 H new ATOM 816 N MET A 52 10.829 -3.176 0.862 1.00 0.00 N ATOM 817 CA MET A 52 10.779 -1.827 0.311 1.00 0.00 C ATOM 818 C MET A 52 10.279 -1.847 -1.130 1.00 0.00 C ATOM 819 O MET A 52 10.769 -2.617 -1.958 1.00 0.00 O ATOM 820 CB MET A 52 12.162 -1.175 0.374 1.00 0.00 C ATOM 821 CG MET A 52 12.238 0.160 -0.348 1.00 0.00 C ATOM 822 SD MET A 52 13.925 0.781 -0.485 1.00 0.00 S ATOM 823 CE MET A 52 14.290 0.398 -2.196 1.00 0.00 C ATOM 0 H MET A 52 11.369 -3.839 0.306 1.00 0.00 H new ATOM 0 HA MET A 52 10.082 -1.242 0.911 1.00 0.00 H new ATOM 0 HB2 MET A 52 12.439 -1.030 1.418 1.00 0.00 H new ATOM 0 HB3 MET A 52 12.895 -1.855 -0.059 1.00 0.00 H new ATOM 0 HG2 MET A 52 11.812 0.054 -1.346 1.00 0.00 H new ATOM 0 HG3 MET A 52 11.628 0.891 0.183 1.00 0.00 H new ATOM 0 HE1 MET A 52 15.303 0.723 -2.434 1.00 0.00 H new ATOM 0 HE2 MET A 52 14.208 -0.677 -2.354 1.00 0.00 H new ATOM 0 HE3 MET A 52 13.582 0.915 -2.844 1.00 0.00 H new ATOM 833 N LEU A 53 9.302 -0.996 -1.424 1.00 0.00 N ATOM 834 CA LEU A 53 8.735 -0.916 -2.766 1.00 0.00 C ATOM 835 C LEU A 53 8.835 0.503 -3.316 1.00 0.00 C ATOM 836 O LEU A 53 8.481 1.478 -2.652 1.00 0.00 O ATOM 837 CB LEU A 53 7.274 -1.368 -2.752 1.00 0.00 C ATOM 838 CG LEU A 53 6.762 -2.025 -4.034 1.00 0.00 C ATOM 839 CD1 LEU A 53 7.484 -3.339 -4.286 1.00 0.00 C ATOM 840 CD2 LEU A 53 5.258 -2.246 -3.956 1.00 0.00 C ATOM 0 H LEU A 53 8.886 -0.352 -0.751 1.00 0.00 H new ATOM 0 HA LEU A 53 9.307 -1.579 -3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.140 -2.070 -1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.649 -0.502 -2.537 1.00 0.00 H new ATOM 0 HG LEU A 53 6.968 -1.356 -4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.106 -3.792 -5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.553 -3.153 -4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.311 -4.016 -3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.911 -2.714 -4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.029 -2.894 -3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.756 -1.288 -3.825 1.00 0.00 H new ATOM 852 N PRO A 54 9.326 0.624 -4.558 1.00 0.00 N ATOM 853 CA PRO A 54 9.481 1.920 -5.225 1.00 0.00 C ATOM 854 C PRO A 54 8.140 2.548 -5.589 1.00 0.00 C ATOM 855 O PRO A 54 7.086 1.939 -5.404 1.00 0.00 O ATOM 856 CB PRO A 54 10.271 1.575 -6.490 1.00 0.00 C ATOM 857 CG PRO A 54 9.956 0.143 -6.755 1.00 0.00 C ATOM 858 CD PRO A 54 9.768 -0.495 -5.407 1.00 0.00 C ATOM 0 HA PRO A 54 9.973 2.652 -4.585 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.974 2.207 -7.327 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.341 1.724 -6.342 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.055 0.047 -7.361 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.764 -0.339 -7.306 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.025 -1.292 -5.440 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.694 -0.937 -5.039 1.00 0.00 H new ATOM 866 N LEU A 55 8.187 3.770 -6.108 1.00 0.00 N ATOM 867 CA LEU A 55 6.975 4.482 -6.499 1.00 0.00 C ATOM 868 C LEU A 55 7.053 4.932 -7.954 1.00 0.00 C ATOM 869 O LEU A 55 6.440 5.927 -8.341 1.00 0.00 O ATOM 870 CB LEU A 55 6.755 5.693 -5.590 1.00 0.00 C ATOM 871 CG LEU A 55 7.012 5.469 -4.100 1.00 0.00 C ATOM 872 CD1 LEU A 55 6.970 6.789 -3.346 1.00 0.00 C ATOM 873 CD2 LEU A 55 5.996 4.492 -3.525 1.00 0.00 C ATOM 0 H LEU A 55 9.051 4.288 -6.268 1.00 0.00 H new ATOM 0 HA LEU A 55 6.132 3.799 -6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.401 6.501 -5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.727 6.033 -5.714 1.00 0.00 H new ATOM 0 HG LEU A 55 8.007 5.039 -3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.155 6.609 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.736 7.457 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.989 7.248 -3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.194 4.344 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.991 4.894 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.075 3.537 -4.045 1.00 0.00 H new ATOM 885 N ASP A 56 7.808 4.191 -8.757 1.00 0.00 N ATOM 886 CA ASP A 56 7.964 4.511 -10.171 1.00 0.00 C ATOM 887 C ASP A 56 7.191 3.524 -11.040 1.00 0.00 C ATOM 888 O ASP A 56 6.467 3.920 -11.953 1.00 0.00 O ATOM 889 CB ASP A 56 9.444 4.501 -10.559 1.00 0.00 C ATOM 890 CG ASP A 56 10.115 5.838 -10.316 1.00 0.00 C ATOM 891 OD1 ASP A 56 9.684 6.559 -9.392 1.00 0.00 O ATOM 892 OD2 ASP A 56 11.072 6.164 -11.050 1.00 0.00 O ATOM 0 H ASP A 56 8.322 3.364 -8.453 1.00 0.00 H new ATOM 0 HA ASP A 56 7.560 5.509 -10.338 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.961 3.729 -9.989 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.539 4.236 -11.612 1.00 0.00 H new ATOM 897 N ASN A 57 7.351 2.237 -10.751 1.00 0.00 N ATOM 898 CA ASN A 57 6.669 1.193 -11.507 1.00 0.00 C ATOM 899 C ASN A 57 5.388 0.759 -10.801 1.00 0.00 C ATOM 900 O ASN A 57 4.884 -0.342 -11.028 1.00 0.00 O ATOM 901 CB ASN A 57 7.592 -0.012 -11.699 1.00 0.00 C ATOM 902 CG ASN A 57 8.592 -0.160 -10.569 1.00 0.00 C ATOM 903 OD1 ASN A 57 9.502 0.801 -10.454 1.00 0.00 O flip ATOM 904 ND2 ASN A 57 8.548 -1.127 -9.808 1.00 0.00 N flip ATOM 0 H ASN A 57 7.947 1.892 -9.999 1.00 0.00 H new ATOM 0 HA ASN A 57 6.405 1.599 -12.483 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.991 -0.919 -11.770 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.127 0.090 -12.643 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.832 -1.842 -9.933 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.228 -1.213 -9.053 1.00 0.00 H new ATOM 911 N LEU A 58 4.866 1.631 -9.946 1.00 0.00 N ATOM 912 CA LEU A 58 3.642 1.339 -9.207 1.00 0.00 C ATOM 913 C LEU A 58 2.479 2.177 -9.726 1.00 0.00 C ATOM 914 O LEU A 58 2.679 3.170 -10.427 1.00 0.00 O ATOM 915 CB LEU A 58 3.849 1.602 -7.715 1.00 0.00 C ATOM 916 CG LEU A 58 5.006 0.851 -7.055 1.00 0.00 C ATOM 917 CD1 LEU A 58 4.784 0.740 -5.554 1.00 0.00 C ATOM 918 CD2 LEU A 58 5.169 -0.530 -7.675 1.00 0.00 C ATOM 0 H LEU A 58 5.271 2.546 -9.747 1.00 0.00 H new ATOM 0 HA LEU A 58 3.401 0.286 -9.354 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.009 2.671 -7.574 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.929 1.345 -7.190 1.00 0.00 H new ATOM 0 HG LEU A 58 5.923 1.415 -7.225 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.617 0.203 -5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.718 1.738 -5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.857 0.200 -5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.997 -1.050 -7.193 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.251 -1.102 -7.536 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.375 -0.428 -8.740 1.00 0.00 H new ATOM 930 N LYS A 59 1.262 1.773 -9.377 1.00 0.00 N ATOM 931 CA LYS A 59 0.066 2.488 -9.804 1.00 0.00 C ATOM 932 C LYS A 59 -1.120 2.150 -8.906 1.00 0.00 C ATOM 933 O LYS A 59 -1.124 1.121 -8.229 1.00 0.00 O ATOM 934 CB LYS A 59 -0.267 2.145 -11.258 1.00 0.00 C ATOM 935 CG LYS A 59 -1.065 3.224 -11.970 1.00 0.00 C ATOM 936 CD LYS A 59 -0.801 3.216 -13.466 1.00 0.00 C ATOM 937 CE LYS A 59 -1.589 4.306 -14.177 1.00 0.00 C ATOM 938 NZ LYS A 59 -0.908 4.762 -15.420 1.00 0.00 N ATOM 0 H LYS A 59 1.078 0.953 -8.799 1.00 0.00 H new ATOM 0 HA LYS A 59 0.265 3.557 -9.726 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.661 1.972 -11.803 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.830 1.212 -11.283 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.129 3.072 -11.786 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.807 4.200 -11.559 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.264 3.357 -13.649 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.069 2.243 -13.879 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.583 3.933 -14.424 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.724 5.154 -13.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.477 5.505 -15.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.031 5.141 -15.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.802 3.959 -16.072 1.00 0.00 H new ATOM 952 N ILE A 60 -2.124 3.020 -8.907 1.00 0.00 N ATOM 953 CA ILE A 60 -3.316 2.810 -8.095 1.00 0.00 C ATOM 954 C ILE A 60 -4.578 2.842 -8.951 1.00 0.00 C ATOM 955 O ILE A 60 -4.765 3.746 -9.765 1.00 0.00 O ATOM 956 CB ILE A 60 -3.435 3.872 -6.985 1.00 0.00 C ATOM 957 CG1 ILE A 60 -2.159 3.906 -6.143 1.00 0.00 C ATOM 958 CG2 ILE A 60 -4.647 3.589 -6.110 1.00 0.00 C ATOM 959 CD1 ILE A 60 -2.152 5.002 -5.100 1.00 0.00 C ATOM 0 H ILE A 60 -2.136 3.877 -9.461 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.216 1.826 -7.637 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.567 4.849 -7.449 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.035 2.943 -5.647 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.301 4.038 -6.803 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.718 4.347 -5.330 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.550 3.611 -6.721 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.543 2.606 -5.651 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.217 4.966 -4.541 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.245 5.971 -5.590 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.989 4.859 -4.417 1.00 0.00 H new ATOM 971 N ARG A 61 -5.441 1.850 -8.760 1.00 0.00 N ATOM 972 CA ARG A 61 -6.686 1.765 -9.514 1.00 0.00 C ATOM 973 C ARG A 61 -7.860 1.452 -8.591 1.00 0.00 C ATOM 974 O ARG A 61 -7.726 0.687 -7.636 1.00 0.00 O ATOM 975 CB ARG A 61 -6.577 0.692 -10.599 1.00 0.00 C ATOM 976 CG ARG A 61 -6.062 -0.643 -10.086 1.00 0.00 C ATOM 977 CD ARG A 61 -6.002 -1.680 -11.197 1.00 0.00 C ATOM 978 NE ARG A 61 -7.315 -2.249 -11.487 1.00 0.00 N ATOM 979 CZ ARG A 61 -7.497 -3.347 -12.212 1.00 0.00 C ATOM 980 NH1 ARG A 61 -6.454 -3.992 -12.717 1.00 0.00 N ATOM 981 NH2 ARG A 61 -8.724 -3.802 -12.433 1.00 0.00 N ATOM 0 H ARG A 61 -5.301 1.094 -8.090 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.864 2.732 -9.985 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.558 0.544 -11.051 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.913 1.050 -11.386 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.069 -0.511 -9.656 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.710 -1.002 -9.286 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.599 -1.221 -12.100 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.316 -2.478 -10.911 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.138 -1.777 -11.112 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.510 -3.645 -12.549 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.596 -4.835 -13.273 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.528 -3.308 -12.046 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.863 -4.645 -12.990 1.00 0.00 H new ATOM 995 N ASP A 62 -9.010 2.050 -8.883 1.00 0.00 N ATOM 996 CA ASP A 62 -10.209 1.835 -8.081 1.00 0.00 C ATOM 997 C ASP A 62 -10.708 0.401 -8.222 1.00 0.00 C ATOM 998 O ASP A 62 -11.283 0.031 -9.246 1.00 0.00 O ATOM 999 CB ASP A 62 -11.308 2.815 -8.495 1.00 0.00 C ATOM 1000 CG ASP A 62 -11.317 3.077 -9.988 1.00 0.00 C ATOM 1001 OD1 ASP A 62 -11.158 2.109 -10.762 1.00 0.00 O ATOM 1002 OD2 ASP A 62 -11.484 4.249 -10.383 1.00 0.00 O ATOM 0 H ASP A 62 -9.137 2.687 -9.669 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.953 2.009 -7.036 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.277 2.418 -8.193 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.170 3.757 -7.964 1.00 0.00 H new ATOM 1129 N LYS A 71 -15.438 -1.238 3.100 1.00 0.00 N ATOM 1130 CA LYS A 71 -14.423 -0.330 3.620 1.00 0.00 C ATOM 1131 C LYS A 71 -13.615 0.291 2.485 1.00 0.00 C ATOM 1132 O LYS A 71 -13.463 -0.306 1.419 1.00 0.00 O ATOM 1133 CB LYS A 71 -13.489 -1.073 4.578 1.00 0.00 C ATOM 1134 CG LYS A 71 -12.869 -0.179 5.639 1.00 0.00 C ATOM 1135 CD LYS A 71 -13.799 0.004 6.827 1.00 0.00 C ATOM 1136 CE LYS A 71 -13.025 0.331 8.095 1.00 0.00 C ATOM 1137 NZ LYS A 71 -13.791 -0.029 9.320 1.00 0.00 N ATOM 0 HA LYS A 71 -14.929 0.469 4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -14.046 -1.872 5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.693 -1.546 4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.927 -0.612 5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.635 0.793 5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.508 0.804 6.616 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.381 -0.905 6.979 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.076 -0.205 8.090 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.790 1.395 8.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.230 0.209 10.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.686 0.501 9.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.993 -1.049 9.316 1.00 0.00 H new ATOM 1151 N HIS A 72 -13.097 1.492 2.722 1.00 0.00 N ATOM 1152 CA HIS A 72 -12.303 2.193 1.719 1.00 0.00 C ATOM 1153 C HIS A 72 -10.919 1.563 1.585 1.00 0.00 C ATOM 1154 O HIS A 72 -10.029 1.817 2.396 1.00 0.00 O ATOM 1155 CB HIS A 72 -12.169 3.671 2.086 1.00 0.00 C ATOM 1156 CG HIS A 72 -13.439 4.278 2.599 1.00 0.00 C ATOM 1157 ND1 HIS A 72 -13.792 4.668 3.846 1.00 0.00 N flip ATOM 1158 CD2 HIS A 72 -14.525 4.546 1.793 1.00 0.00 C flip ATOM 1159 CE1 HIS A 72 -15.072 5.160 3.771 1.00 0.00 C flip ATOM 1160 NE2 HIS A 72 -15.491 5.076 2.521 1.00 0.00 N flip ATOM 0 H HIS A 72 -13.213 2.000 3.599 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.816 2.109 0.761 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.392 3.780 2.843 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -11.839 4.227 1.208 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -14.578 4.353 0.732 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -15.643 5.552 4.599 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -16.405 5.370 2.177 1.00 0.00 H new ATOM 1169 N VAL A 73 -10.747 0.740 0.556 1.00 0.00 N ATOM 1170 CA VAL A 73 -9.472 0.074 0.315 1.00 0.00 C ATOM 1171 C VAL A 73 -9.053 0.201 -1.146 1.00 0.00 C ATOM 1172 O VAL A 73 -9.861 0.004 -2.054 1.00 0.00 O ATOM 1173 CB VAL A 73 -9.539 -1.419 0.690 1.00 0.00 C ATOM 1174 CG1 VAL A 73 -10.786 -2.062 0.103 1.00 0.00 C ATOM 1175 CG2 VAL A 73 -8.285 -2.142 0.222 1.00 0.00 C ATOM 0 H VAL A 73 -11.474 0.518 -0.124 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.733 0.567 0.946 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.594 -1.501 1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.816 -3.116 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.672 -1.560 0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.765 -1.971 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.349 -3.195 0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.196 -2.053 -0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.410 -1.697 0.696 1.00 0.00 H new ATOM 1185 N PHE A 74 -7.785 0.531 -1.365 1.00 0.00 N ATOM 1186 CA PHE A 74 -7.257 0.685 -2.716 1.00 0.00 C ATOM 1187 C PHE A 74 -6.238 -0.407 -3.029 1.00 0.00 C ATOM 1188 O PHE A 74 -5.473 -0.824 -2.161 1.00 0.00 O ATOM 1189 CB PHE A 74 -6.612 2.062 -2.880 1.00 0.00 C ATOM 1190 CG PHE A 74 -5.509 2.329 -1.897 1.00 0.00 C ATOM 1191 CD1 PHE A 74 -5.799 2.703 -0.594 1.00 0.00 C ATOM 1192 CD2 PHE A 74 -4.182 2.205 -2.274 1.00 0.00 C ATOM 1193 CE1 PHE A 74 -4.785 2.950 0.312 1.00 0.00 C ATOM 1194 CE2 PHE A 74 -3.164 2.450 -1.372 1.00 0.00 C ATOM 1195 CZ PHE A 74 -3.466 2.822 -0.076 1.00 0.00 C ATOM 0 H PHE A 74 -7.103 0.697 -0.624 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.087 0.595 -3.417 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.215 2.150 -3.891 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.379 2.829 -2.770 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.829 2.802 -0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.940 1.913 -3.285 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.024 3.243 1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.134 2.351 -1.680 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.673 3.012 0.632 1.00 0.00 H new ATOM 1205 N ALA A 75 -6.237 -0.865 -4.277 1.00 0.00 N ATOM 1206 CA ALA A 75 -5.312 -1.907 -4.707 1.00 0.00 C ATOM 1207 C ALA A 75 -4.139 -1.315 -5.480 1.00 0.00 C ATOM 1208 O ALA A 75 -4.318 -0.427 -6.314 1.00 0.00 O ATOM 1209 CB ALA A 75 -6.038 -2.940 -5.555 1.00 0.00 C ATOM 0 H ALA A 75 -6.866 -0.531 -5.007 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.916 -2.397 -3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.335 -3.712 -5.869 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.838 -3.394 -4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.462 -2.456 -6.435 1.00 0.00 H new ATOM 1215 N ILE A 76 -2.939 -1.811 -5.198 1.00 0.00 N ATOM 1216 CA ILE A 76 -1.737 -1.331 -5.868 1.00 0.00 C ATOM 1217 C ILE A 76 -1.107 -2.427 -6.720 1.00 0.00 C ATOM 1218 O ILE A 76 -0.745 -3.490 -6.214 1.00 0.00 O ATOM 1219 CB ILE A 76 -0.695 -0.820 -4.856 1.00 0.00 C ATOM 1220 CG1 ILE A 76 -1.286 0.307 -4.007 1.00 0.00 C ATOM 1221 CG2 ILE A 76 0.557 -0.345 -5.579 1.00 0.00 C ATOM 1222 CD1 ILE A 76 -0.283 0.953 -3.077 1.00 0.00 C ATOM 0 H ILE A 76 -2.773 -2.545 -4.510 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.043 -0.506 -6.511 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.420 -1.641 -4.195 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.700 1.069 -4.667 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.113 -0.089 -3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.284 0.013 -4.850 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.987 -1.172 -6.144 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.298 0.465 -6.261 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.772 1.743 -2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.114 0.203 -2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.533 1.379 -3.661 1.00 0.00 H new ATOM 1234 N PHE A 77 -0.977 -2.161 -8.015 1.00 0.00 N ATOM 1235 CA PHE A 77 -0.390 -3.125 -8.938 1.00 0.00 C ATOM 1236 C PHE A 77 0.913 -2.591 -9.527 1.00 0.00 C ATOM 1237 O PHE A 77 1.255 -1.423 -9.345 1.00 0.00 O ATOM 1238 CB PHE A 77 -1.374 -3.452 -10.063 1.00 0.00 C ATOM 1239 CG PHE A 77 -1.667 -2.285 -10.962 1.00 0.00 C ATOM 1240 CD1 PHE A 77 -0.845 -2.001 -12.041 1.00 0.00 C ATOM 1241 CD2 PHE A 77 -2.763 -1.471 -10.728 1.00 0.00 C ATOM 1242 CE1 PHE A 77 -1.112 -0.927 -12.869 1.00 0.00 C ATOM 1243 CE2 PHE A 77 -3.035 -0.395 -11.552 1.00 0.00 C ATOM 1244 CZ PHE A 77 -2.209 -0.124 -12.625 1.00 0.00 C ATOM 0 H PHE A 77 -1.270 -1.286 -8.449 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.171 -4.036 -8.381 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.971 -4.269 -10.661 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.307 -3.807 -9.626 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.014 -2.626 -12.237 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.413 -1.680 -9.891 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.463 -0.716 -13.706 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -3.892 0.233 -11.357 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.420 0.714 -13.272 1.00 0.00 H new ATOM 1254 N ASN A 78 1.635 -3.455 -10.232 1.00 0.00 N ATOM 1255 CA ASN A 78 2.901 -3.071 -10.847 1.00 0.00 C ATOM 1256 C ASN A 78 2.734 -2.858 -12.348 1.00 0.00 C ATOM 1257 O ASN A 78 2.459 -3.798 -13.094 1.00 0.00 O ATOM 1258 CB ASN A 78 3.963 -4.141 -10.587 1.00 0.00 C ATOM 1259 CG ASN A 78 5.369 -3.573 -10.596 1.00 0.00 C ATOM 1260 OD1 ASN A 78 6.014 -3.465 -9.552 1.00 0.00 O ATOM 1261 ND2 ASN A 78 5.852 -3.207 -11.777 1.00 0.00 N ATOM 0 H ASN A 78 1.366 -4.426 -10.392 1.00 0.00 H new ATOM 0 HA ASN A 78 3.224 -2.131 -10.399 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.771 -4.613 -9.624 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.884 -4.920 -11.345 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.793 -2.818 -11.845 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.283 -3.314 -12.616 1.00 0.00 H new ATOM 1268 N THR A 79 2.903 -1.614 -12.786 1.00 0.00 N ATOM 1269 CA THR A 79 2.771 -1.276 -14.198 1.00 0.00 C ATOM 1270 C THR A 79 3.713 -2.114 -15.054 1.00 0.00 C ATOM 1271 O THR A 79 3.313 -2.657 -16.084 1.00 0.00 O ATOM 1272 CB THR A 79 3.058 0.216 -14.448 1.00 0.00 C ATOM 1273 OG1 THR A 79 4.428 0.508 -14.150 1.00 0.00 O ATOM 1274 CG2 THR A 79 2.151 1.092 -13.597 1.00 0.00 C ATOM 0 H THR A 79 3.132 -0.824 -12.183 1.00 0.00 H new ATOM 0 HA THR A 79 1.740 -1.492 -14.480 1.00 0.00 H new ATOM 0 HB THR A 79 2.861 0.430 -15.499 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.603 1.458 -14.313 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.372 2.142 -13.791 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.110 0.889 -13.847 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.320 0.874 -12.542 1.00 0.00 H new ATOM 1282 N GLU A 80 4.966 -2.215 -14.621 1.00 0.00 N ATOM 1283 CA GLU A 80 5.965 -2.988 -15.350 1.00 0.00 C ATOM 1284 C GLU A 80 5.609 -4.472 -15.354 1.00 0.00 C ATOM 1285 O GLU A 80 4.577 -4.874 -14.817 1.00 0.00 O ATOM 1286 CB GLU A 80 7.350 -2.786 -14.731 1.00 0.00 C ATOM 1287 CG GLU A 80 7.956 -1.424 -15.025 1.00 0.00 C ATOM 1288 CD GLU A 80 6.905 -0.344 -15.199 1.00 0.00 C ATOM 1289 OE1 GLU A 80 6.104 -0.443 -16.151 1.00 0.00 O ATOM 1290 OE2 GLU A 80 6.886 0.601 -14.381 1.00 0.00 O ATOM 0 H GLU A 80 5.313 -1.772 -13.770 1.00 0.00 H new ATOM 0 HA GLU A 80 5.980 -2.633 -16.381 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.279 -2.917 -13.651 1.00 0.00 H new ATOM 0 HB3 GLU A 80 8.021 -3.561 -15.102 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.627 -1.146 -14.212 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.561 -1.487 -15.930 1.00 0.00 H new ATOM 1352 N VAL A 84 4.053 -6.556 -7.692 1.00 0.00 N ATOM 1353 CA VAL A 84 4.254 -5.592 -6.617 1.00 0.00 C ATOM 1354 C VAL A 84 4.727 -6.281 -5.342 1.00 0.00 C ATOM 1355 O VAL A 84 5.546 -5.739 -4.599 1.00 0.00 O ATOM 1356 CB VAL A 84 2.962 -4.809 -6.316 1.00 0.00 C ATOM 1357 CG1 VAL A 84 2.681 -3.798 -7.417 1.00 0.00 C ATOM 1358 CG2 VAL A 84 1.790 -5.763 -6.144 1.00 0.00 C ATOM 0 HA VAL A 84 5.021 -4.896 -6.956 1.00 0.00 H new ATOM 0 HB VAL A 84 3.097 -4.264 -5.382 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.765 -3.255 -7.187 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.512 -3.096 -7.487 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.565 -4.318 -8.368 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.885 -5.193 -5.932 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.651 -6.337 -7.060 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.993 -6.443 -5.317 1.00 0.00 H new ATOM 1368 N TYR A 85 4.207 -7.478 -5.095 1.00 0.00 N ATOM 1369 CA TYR A 85 4.575 -8.241 -3.908 1.00 0.00 C ATOM 1370 C TYR A 85 5.246 -9.556 -4.293 1.00 0.00 C ATOM 1371 O TYR A 85 5.405 -9.864 -5.474 1.00 0.00 O ATOM 1372 CB TYR A 85 3.338 -8.518 -3.051 1.00 0.00 C ATOM 1373 CG TYR A 85 3.659 -8.815 -1.604 1.00 0.00 C ATOM 1374 CD1 TYR A 85 4.372 -7.908 -0.830 1.00 0.00 C ATOM 1375 CD2 TYR A 85 3.251 -10.004 -1.011 1.00 0.00 C ATOM 1376 CE1 TYR A 85 4.668 -8.175 0.493 1.00 0.00 C ATOM 1377 CE2 TYR A 85 3.541 -10.279 0.311 1.00 0.00 C ATOM 1378 CZ TYR A 85 4.250 -9.362 1.059 1.00 0.00 C ATOM 1379 OH TYR A 85 4.543 -9.633 2.376 1.00 0.00 O ATOM 0 H TYR A 85 3.529 -7.941 -5.701 1.00 0.00 H new ATOM 0 HA TYR A 85 5.284 -7.648 -3.330 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.673 -7.655 -3.097 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.794 -9.362 -3.475 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.701 -6.978 -1.270 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.698 -10.725 -1.594 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.223 -7.459 1.081 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.214 -11.207 0.757 1.00 0.00 H new ATOM 0 HH TYR A 85 4.176 -10.509 2.619 1.00 0.00 H new ATOM 1389 N LYS A 86 5.638 -10.329 -3.286 1.00 0.00 N ATOM 1390 CA LYS A 86 6.291 -11.612 -3.515 1.00 0.00 C ATOM 1391 C LYS A 86 5.669 -12.334 -4.706 1.00 0.00 C ATOM 1392 O LYS A 86 6.309 -12.503 -5.744 1.00 0.00 O ATOM 1393 CB LYS A 86 6.190 -12.489 -2.264 1.00 0.00 C ATOM 1394 CG LYS A 86 7.290 -12.229 -1.249 1.00 0.00 C ATOM 1395 CD LYS A 86 6.914 -11.106 -0.296 1.00 0.00 C ATOM 1396 CE LYS A 86 7.556 -11.297 1.070 1.00 0.00 C ATOM 1397 NZ LYS A 86 9.042 -11.243 0.996 1.00 0.00 N ATOM 0 H LYS A 86 5.515 -10.089 -2.302 1.00 0.00 H new ATOM 0 HA LYS A 86 7.342 -11.423 -3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.223 -12.322 -1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 86 6.222 -13.537 -2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.486 -13.139 -0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.213 -11.973 -1.769 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.227 -10.150 -0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.830 -11.067 -0.188 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.198 -10.525 1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.248 -12.256 1.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 9.440 -11.309 1.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.390 -12.037 0.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.336 -10.345 0.561 1.00 0.00 H new ATOM 1411 N ASP A 87 4.419 -12.755 -4.550 1.00 0.00 N ATOM 1412 CA ASP A 87 3.710 -13.456 -5.614 1.00 0.00 C ATOM 1413 C ASP A 87 2.433 -12.715 -5.996 1.00 0.00 C ATOM 1414 O ASP A 87 1.995 -12.763 -7.146 1.00 0.00 O ATOM 1415 CB ASP A 87 3.375 -14.884 -5.178 1.00 0.00 C ATOM 1416 CG ASP A 87 4.572 -15.606 -4.592 1.00 0.00 C ATOM 1417 OD1 ASP A 87 5.693 -15.413 -5.107 1.00 0.00 O ATOM 1418 OD2 ASP A 87 4.388 -16.364 -3.617 1.00 0.00 O ATOM 0 H ASP A 87 3.876 -12.623 -3.697 1.00 0.00 H new ATOM 0 HA ASP A 87 4.361 -13.494 -6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.574 -14.857 -4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.000 -15.444 -6.035 1.00 0.00 H new ATOM 1423 N LEU A 88 1.840 -12.030 -5.025 1.00 0.00 N ATOM 1424 CA LEU A 88 0.611 -11.278 -5.259 1.00 0.00 C ATOM 1425 C LEU A 88 0.830 -10.188 -6.303 1.00 0.00 C ATOM 1426 O LEU A 88 1.745 -9.374 -6.182 1.00 0.00 O ATOM 1427 CB LEU A 88 0.114 -10.657 -3.953 1.00 0.00 C ATOM 1428 CG LEU A 88 -0.312 -11.639 -2.861 1.00 0.00 C ATOM 1429 CD1 LEU A 88 -0.496 -10.917 -1.535 1.00 0.00 C ATOM 1430 CD2 LEU A 88 -1.592 -12.359 -3.261 1.00 0.00 C ATOM 0 H LEU A 88 2.190 -11.979 -4.068 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.143 -11.969 -5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.904 -10.021 -3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.732 -10.009 -4.181 1.00 0.00 H new ATOM 0 HG LEU A 88 0.476 -12.382 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.799 -11.632 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.444 -10.449 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.265 -10.152 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.880 -13.054 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.388 -11.630 -3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.426 -12.910 -4.187 1.00 0.00 H new ATOM 1442 N ARG A 89 -0.016 -10.179 -7.327 1.00 0.00 N ATOM 1443 CA ARG A 89 0.084 -9.188 -8.392 1.00 0.00 C ATOM 1444 C ARG A 89 -0.411 -7.826 -7.916 1.00 0.00 C ATOM 1445 O ARG A 89 0.010 -6.789 -8.428 1.00 0.00 O ATOM 1446 CB ARG A 89 -0.721 -9.637 -9.613 1.00 0.00 C ATOM 1447 CG ARG A 89 -0.036 -10.721 -10.430 1.00 0.00 C ATOM 1448 CD ARG A 89 -0.366 -12.108 -9.904 1.00 0.00 C ATOM 1449 NE ARG A 89 -1.717 -12.526 -10.271 1.00 0.00 N ATOM 1450 CZ ARG A 89 -2.300 -13.623 -9.800 1.00 0.00 C ATOM 1451 NH1 ARG A 89 -1.655 -14.407 -8.948 1.00 0.00 N ATOM 1452 NH2 ARG A 89 -3.532 -13.936 -10.182 1.00 0.00 N ATOM 0 H ARG A 89 -0.779 -10.847 -7.442 1.00 0.00 H new ATOM 0 HA ARG A 89 1.134 -9.096 -8.671 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.693 -10.003 -9.282 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.906 -8.774 -10.253 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.346 -10.643 -11.472 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.043 -10.569 -10.406 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.355 -12.825 -10.297 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.266 -12.117 -8.819 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.241 -11.944 -10.924 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.708 -14.169 -8.652 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.105 -15.249 -8.588 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.031 -13.334 -10.837 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.980 -14.778 -9.820 1.00 0.00 H new ATOM 1466 N GLN A 90 -1.307 -7.838 -6.935 1.00 0.00 N ATOM 1467 CA GLN A 90 -1.860 -6.603 -6.391 1.00 0.00 C ATOM 1468 C GLN A 90 -2.059 -6.713 -4.883 1.00 0.00 C ATOM 1469 O GLN A 90 -2.358 -7.789 -4.364 1.00 0.00 O ATOM 1470 CB GLN A 90 -3.190 -6.272 -7.070 1.00 0.00 C ATOM 1471 CG GLN A 90 -3.987 -7.500 -7.477 1.00 0.00 C ATOM 1472 CD GLN A 90 -4.438 -8.324 -6.287 1.00 0.00 C ATOM 1473 OE1 GLN A 90 -3.839 -9.350 -5.965 1.00 0.00 O ATOM 1474 NE2 GLN A 90 -5.500 -7.878 -5.627 1.00 0.00 N ATOM 0 H GLN A 90 -1.666 -8.688 -6.501 1.00 0.00 H new ATOM 0 HA GLN A 90 -1.150 -5.800 -6.588 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.793 -5.666 -6.394 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.996 -5.665 -7.955 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.860 -7.188 -8.050 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.379 -8.121 -8.135 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.966 -7.022 -5.929 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.850 -8.391 -4.818 1.00 0.00 H new ATOM 1483 N ILE A 91 -1.891 -5.595 -4.185 1.00 0.00 N ATOM 1484 CA ILE A 91 -2.054 -5.567 -2.737 1.00 0.00 C ATOM 1485 C ILE A 91 -3.203 -4.650 -2.330 1.00 0.00 C ATOM 1486 O ILE A 91 -3.238 -3.479 -2.707 1.00 0.00 O ATOM 1487 CB ILE A 91 -0.766 -5.099 -2.035 1.00 0.00 C ATOM 1488 CG1 ILE A 91 0.435 -5.905 -2.535 1.00 0.00 C ATOM 1489 CG2 ILE A 91 -0.907 -5.231 -0.526 1.00 0.00 C ATOM 1490 CD1 ILE A 91 1.741 -5.143 -2.477 1.00 0.00 C ATOM 0 H ILE A 91 -1.642 -4.697 -4.599 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.279 -6.587 -2.425 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.601 -4.049 -2.275 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.527 -6.813 -1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.251 -6.216 -3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.012 -4.896 -0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.741 -4.618 -0.183 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.093 -6.273 -0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.548 -5.776 -2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.668 -4.249 -3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.949 -4.855 -1.447 1.00 0.00 H new ATOM 1502 N GLU A 92 -4.139 -5.191 -1.558 1.00 0.00 N ATOM 1503 CA GLU A 92 -5.289 -4.421 -1.099 1.00 0.00 C ATOM 1504 C GLU A 92 -5.024 -3.813 0.275 1.00 0.00 C ATOM 1505 O GLU A 92 -4.799 -4.530 1.251 1.00 0.00 O ATOM 1506 CB GLU A 92 -6.536 -5.306 -1.045 1.00 0.00 C ATOM 1507 CG GLU A 92 -7.201 -5.503 -2.397 1.00 0.00 C ATOM 1508 CD GLU A 92 -8.695 -5.739 -2.284 1.00 0.00 C ATOM 1509 OE1 GLU A 92 -9.382 -4.905 -1.659 1.00 0.00 O ATOM 1510 OE2 GLU A 92 -9.176 -6.759 -2.820 1.00 0.00 O ATOM 0 H GLU A 92 -4.124 -6.159 -1.237 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.458 -3.611 -1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.263 -6.280 -0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -7.256 -4.864 -0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.022 -4.625 -3.017 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -6.740 -6.351 -2.904 1.00 0.00 H new ATOM 1517 N LEU A 93 -5.051 -2.487 0.344 1.00 0.00 N ATOM 1518 CA LEU A 93 -4.813 -1.781 1.599 1.00 0.00 C ATOM 1519 C LEU A 93 -6.078 -1.075 2.075 1.00 0.00 C ATOM 1520 O LEU A 93 -6.612 -0.205 1.388 1.00 0.00 O ATOM 1521 CB LEU A 93 -3.682 -0.765 1.428 1.00 0.00 C ATOM 1522 CG LEU A 93 -2.335 -1.329 0.977 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -1.529 -0.267 0.246 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -1.555 -1.866 2.169 1.00 0.00 C ATOM 0 H LEU A 93 -5.235 -1.879 -0.454 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.524 -2.515 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.000 -0.016 0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.538 -0.249 2.377 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.521 -2.153 0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.573 -0.687 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.082 0.070 -0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.353 0.578 0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.599 -2.264 1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.380 -1.060 2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.127 -2.659 2.651 1.00 0.00 H new ATOM 1536 N ALA A 94 -6.552 -1.455 3.257 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.752 -0.856 3.828 1.00 0.00 C ATOM 1538 C ALA A 94 -7.397 0.200 4.869 1.00 0.00 C ATOM 1539 O ALA A 94 -6.367 0.104 5.538 1.00 0.00 O ATOM 1540 CB ALA A 94 -8.637 -1.930 4.443 1.00 0.00 C ATOM 0 H ALA A 94 -6.123 -2.175 3.838 1.00 0.00 H new ATOM 0 HA ALA A 94 -8.301 -0.365 3.024 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.529 -1.468 4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.928 -2.646 3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.088 -2.447 5.231 1.00 0.00 H new ATOM 1546 N CYS A 95 -8.254 1.206 5.001 1.00 0.00 N ATOM 1547 CA CYS A 95 -8.029 2.281 5.961 1.00 0.00 C ATOM 1548 C CYS A 95 -9.156 2.338 6.987 1.00 0.00 C ATOM 1549 O CYS A 95 -10.140 1.605 6.885 1.00 0.00 O ATOM 1550 CB CYS A 95 -7.914 3.623 5.237 1.00 0.00 C ATOM 1551 SG CYS A 95 -6.457 3.767 4.176 1.00 0.00 S ATOM 0 H CYS A 95 -9.111 1.300 4.456 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.095 2.078 6.485 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -8.808 3.775 4.631 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -7.891 4.422 5.978 1.00 0.00 H new ATOM 0 HG CYS A 95 -5.765 4.809 4.529 1.00 0.00 H new ATOM 1557 N ASP A 96 -9.005 3.213 7.975 1.00 0.00 N ATOM 1558 CA ASP A 96 -10.010 3.366 9.021 1.00 0.00 C ATOM 1559 C ASP A 96 -11.254 4.065 8.482 1.00 0.00 C ATOM 1560 O ASP A 96 -12.380 3.641 8.745 1.00 0.00 O ATOM 1561 CB ASP A 96 -9.436 4.156 10.198 1.00 0.00 C ATOM 1562 CG ASP A 96 -8.281 3.438 10.869 1.00 0.00 C ATOM 1563 OD1 ASP A 96 -7.227 3.273 10.219 1.00 0.00 O ATOM 1564 OD2 ASP A 96 -8.430 3.042 12.044 1.00 0.00 O ATOM 0 H ASP A 96 -8.197 3.827 8.074 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.294 2.372 9.365 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.099 5.131 9.847 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -10.223 4.335 10.930 1.00 0.00 H new ATOM 1569 N SER A 97 -11.043 5.138 7.727 1.00 0.00 N ATOM 1570 CA SER A 97 -12.147 5.900 7.155 1.00 0.00 C ATOM 1571 C SER A 97 -11.729 6.562 5.846 1.00 0.00 C ATOM 1572 O SER A 97 -10.540 6.729 5.575 1.00 0.00 O ATOM 1573 CB SER A 97 -12.630 6.961 8.145 1.00 0.00 C ATOM 1574 OG SER A 97 -11.829 8.128 8.073 1.00 0.00 O ATOM 0 H SER A 97 -10.117 5.500 7.497 1.00 0.00 H new ATOM 0 HA SER A 97 -12.964 5.209 6.948 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.668 7.215 7.933 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.601 6.558 9.157 1.00 0.00 H new ATOM 0 HG SER A 97 -12.159 8.791 8.714 1.00 0.00 H new ATOM 1580 N GLN A 98 -12.716 6.937 5.038 1.00 0.00 N ATOM 1581 CA GLN A 98 -12.451 7.581 3.757 1.00 0.00 C ATOM 1582 C GLN A 98 -11.375 8.653 3.898 1.00 0.00 C ATOM 1583 O GLN A 98 -10.460 8.737 3.080 1.00 0.00 O ATOM 1584 CB GLN A 98 -13.733 8.199 3.198 1.00 0.00 C ATOM 1585 CG GLN A 98 -13.733 8.337 1.684 1.00 0.00 C ATOM 1586 CD GLN A 98 -12.532 9.106 1.168 1.00 0.00 C ATOM 1587 OE1 GLN A 98 -12.436 10.320 1.344 1.00 0.00 O ATOM 1588 NE2 GLN A 98 -11.608 8.400 0.527 1.00 0.00 N ATOM 0 H GLN A 98 -13.706 6.806 5.248 1.00 0.00 H new ATOM 0 HA GLN A 98 -12.091 6.820 3.065 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.583 7.586 3.498 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -13.876 9.183 3.644 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -13.746 7.345 1.233 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -14.646 8.842 1.369 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -11.729 7.395 0.404 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -10.778 8.863 0.158 1.00 0.00 H new ATOM 1597 N GLU A 99 -11.493 9.469 4.941 1.00 0.00 N ATOM 1598 CA GLU A 99 -10.530 10.536 5.188 1.00 0.00 C ATOM 1599 C GLU A 99 -9.100 10.023 5.043 1.00 0.00 C ATOM 1600 O GLU A 99 -8.267 10.653 4.392 1.00 0.00 O ATOM 1601 CB GLU A 99 -10.734 11.123 6.586 1.00 0.00 C ATOM 1602 CG GLU A 99 -9.808 12.287 6.898 1.00 0.00 C ATOM 1603 CD GLU A 99 -9.636 13.227 5.720 1.00 0.00 C ATOM 1604 OE1 GLU A 99 -8.753 12.965 4.877 1.00 0.00 O ATOM 1605 OE2 GLU A 99 -10.383 14.225 5.643 1.00 0.00 O ATOM 0 H GLU A 99 -12.245 9.412 5.628 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.694 11.318 4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -11.767 11.455 6.684 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -10.580 10.338 7.327 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -10.204 12.844 7.748 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -8.833 11.901 7.196 1.00 0.00 H new ATOM 1612 N ASP A 100 -8.825 8.876 5.654 1.00 0.00 N ATOM 1613 CA ASP A 100 -7.497 8.277 5.593 1.00 0.00 C ATOM 1614 C ASP A 100 -7.105 7.969 4.151 1.00 0.00 C ATOM 1615 O ASP A 100 -5.988 8.263 3.724 1.00 0.00 O ATOM 1616 CB ASP A 100 -7.451 6.999 6.431 1.00 0.00 C ATOM 1617 CG ASP A 100 -7.446 7.283 7.921 1.00 0.00 C ATOM 1618 OD1 ASP A 100 -6.383 7.676 8.446 1.00 0.00 O ATOM 1619 OD2 ASP A 100 -8.505 7.112 8.560 1.00 0.00 O ATOM 0 H ASP A 100 -9.504 8.343 6.197 1.00 0.00 H new ATOM 0 HA ASP A 100 -6.784 8.994 5.999 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.311 6.376 6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.560 6.429 6.170 1.00 0.00 H new ATOM 1624 N VAL A 101 -8.031 7.374 3.406 1.00 0.00 N ATOM 1625 CA VAL A 101 -7.782 7.026 2.012 1.00 0.00 C ATOM 1626 C VAL A 101 -7.454 8.264 1.186 1.00 0.00 C ATOM 1627 O VAL A 101 -6.437 8.310 0.495 1.00 0.00 O ATOM 1628 CB VAL A 101 -8.996 6.312 1.387 1.00 0.00 C ATOM 1629 CG1 VAL A 101 -8.785 6.106 -0.105 1.00 0.00 C ATOM 1630 CG2 VAL A 101 -9.251 4.985 2.086 1.00 0.00 C ATOM 0 H VAL A 101 -8.960 7.123 3.744 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.927 6.350 2.002 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.875 6.942 1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.653 5.600 -0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.655 7.073 -0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.896 5.497 -0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.112 4.494 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.374 4.346 1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.450 5.163 3.143 1.00 0.00 H new ATOM 1640 N ASP A 102 -8.322 9.267 1.264 1.00 0.00 N ATOM 1641 CA ASP A 102 -8.124 10.508 0.524 1.00 0.00 C ATOM 1642 C ASP A 102 -6.715 11.050 0.740 1.00 0.00 C ATOM 1643 O ASP A 102 -5.997 11.338 -0.218 1.00 0.00 O ATOM 1644 CB ASP A 102 -9.156 11.552 0.953 1.00 0.00 C ATOM 1645 CG ASP A 102 -9.214 12.733 0.004 1.00 0.00 C ATOM 1646 OD1 ASP A 102 -8.920 12.546 -1.195 1.00 0.00 O ATOM 1647 OD2 ASP A 102 -9.554 13.845 0.461 1.00 0.00 O ATOM 0 H ASP A 102 -9.169 9.245 1.832 1.00 0.00 H new ATOM 0 HA ASP A 102 -8.253 10.294 -0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.139 11.085 1.008 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -8.915 11.906 1.955 1.00 0.00 H new ATOM 1652 N SER A 103 -6.325 11.188 2.003 1.00 0.00 N ATOM 1653 CA SER A 103 -5.004 11.700 2.344 1.00 0.00 C ATOM 1654 C SER A 103 -3.911 10.869 1.680 1.00 0.00 C ATOM 1655 O SER A 103 -3.039 11.404 0.994 1.00 0.00 O ATOM 1656 CB SER A 103 -4.809 11.699 3.862 1.00 0.00 C ATOM 1657 OG SER A 103 -3.777 12.591 4.244 1.00 0.00 O ATOM 0 H SER A 103 -6.906 10.952 2.807 1.00 0.00 H new ATOM 0 HA SER A 103 -4.933 12.724 1.976 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.740 11.984 4.352 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.567 10.691 4.200 1.00 0.00 H new ATOM 0 HG SER A 103 -3.673 12.573 5.218 1.00 0.00 H new ATOM 1663 N TRP A 104 -3.964 9.558 1.888 1.00 0.00 N ATOM 1664 CA TRP A 104 -2.979 8.652 1.309 1.00 0.00 C ATOM 1665 C TRP A 104 -2.882 8.844 -0.200 1.00 0.00 C ATOM 1666 O TRP A 104 -1.800 9.076 -0.739 1.00 0.00 O ATOM 1667 CB TRP A 104 -3.342 7.200 1.628 1.00 0.00 C ATOM 1668 CG TRP A 104 -2.855 6.748 2.971 1.00 0.00 C ATOM 1669 CD1 TRP A 104 -3.621 6.432 4.057 1.00 0.00 C ATOM 1670 CD2 TRP A 104 -1.493 6.564 3.372 1.00 0.00 C ATOM 1671 NE1 TRP A 104 -2.817 6.062 5.108 1.00 0.00 N ATOM 1672 CE2 TRP A 104 -1.507 6.134 4.713 1.00 0.00 C ATOM 1673 CE3 TRP A 104 -0.262 6.718 2.728 1.00 0.00 C ATOM 1674 CZ2 TRP A 104 -0.339 5.859 5.419 1.00 0.00 C ATOM 1675 CZ3 TRP A 104 0.896 6.445 3.430 1.00 0.00 C ATOM 1676 CH2 TRP A 104 0.852 6.019 4.764 1.00 0.00 C ATOM 0 H TRP A 104 -4.678 9.099 2.453 1.00 0.00 H new ATOM 0 HA TRP A 104 -2.008 8.882 1.748 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.425 7.086 1.585 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -2.922 6.551 0.860 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -4.700 6.468 4.085 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -3.143 5.780 6.032 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -0.217 7.045 1.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -0.372 5.531 6.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 1.852 6.562 2.942 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.775 5.813 5.285 1.00 0.00 H new ATOM 1687 N LYS A 105 -4.021 8.747 -0.879 1.00 0.00 N ATOM 1688 CA LYS A 105 -4.065 8.913 -2.327 1.00 0.00 C ATOM 1689 C LYS A 105 -3.313 10.168 -2.755 1.00 0.00 C ATOM 1690 O LYS A 105 -2.432 10.113 -3.612 1.00 0.00 O ATOM 1691 CB LYS A 105 -5.516 8.986 -2.808 1.00 0.00 C ATOM 1692 CG LYS A 105 -6.193 7.630 -2.908 1.00 0.00 C ATOM 1693 CD LYS A 105 -7.671 7.767 -3.235 1.00 0.00 C ATOM 1694 CE LYS A 105 -8.311 6.413 -3.499 1.00 0.00 C ATOM 1695 NZ LYS A 105 -9.787 6.450 -3.304 1.00 0.00 N ATOM 0 H LYS A 105 -4.926 8.554 -0.449 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.580 8.049 -2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.085 9.617 -2.125 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.542 9.469 -3.785 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.703 7.034 -3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.076 7.094 -1.966 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.184 8.258 -2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.794 8.405 -4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.087 6.098 -4.518 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.875 5.669 -2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.164 5.481 -3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.005 6.886 -2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.224 7.009 -4.065 1.00 0.00 H new ATOM 1709 N ALA A 106 -3.666 11.299 -2.151 1.00 0.00 N ATOM 1710 CA ALA A 106 -3.021 12.567 -2.467 1.00 0.00 C ATOM 1711 C ALA A 106 -1.529 12.518 -2.155 1.00 0.00 C ATOM 1712 O ALA A 106 -0.719 13.128 -2.852 1.00 0.00 O ATOM 1713 CB ALA A 106 -3.685 13.702 -1.702 1.00 0.00 C ATOM 0 H ALA A 106 -4.395 11.362 -1.440 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.136 12.748 -3.536 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -3.193 14.643 -1.948 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -4.738 13.760 -1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.601 13.517 -0.631 1.00 0.00 H new ATOM 1719 N SER A 107 -1.173 11.787 -1.103 1.00 0.00 N ATOM 1720 CA SER A 107 0.221 11.662 -0.696 1.00 0.00 C ATOM 1721 C SER A 107 1.038 10.945 -1.768 1.00 0.00 C ATOM 1722 O SER A 107 2.144 11.366 -2.107 1.00 0.00 O ATOM 1723 CB SER A 107 0.322 10.904 0.629 1.00 0.00 C ATOM 1724 OG SER A 107 -0.292 11.630 1.679 1.00 0.00 O ATOM 0 H SER A 107 -1.831 11.273 -0.518 1.00 0.00 H new ATOM 0 HA SER A 107 0.626 12.665 -0.564 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.154 9.928 0.531 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.370 10.725 0.870 1.00 0.00 H new ATOM 0 HG SER A 107 -1.265 11.614 1.562 1.00 0.00 H new ATOM 1730 N PHE A 108 0.484 9.860 -2.298 1.00 0.00 N ATOM 1731 CA PHE A 108 1.160 9.083 -3.331 1.00 0.00 C ATOM 1732 C PHE A 108 1.478 9.952 -4.544 1.00 0.00 C ATOM 1733 O PHE A 108 2.570 9.874 -5.109 1.00 0.00 O ATOM 1734 CB PHE A 108 0.294 7.895 -3.754 1.00 0.00 C ATOM 1735 CG PHE A 108 0.537 6.656 -2.940 1.00 0.00 C ATOM 1736 CD1 PHE A 108 1.625 5.839 -3.207 1.00 0.00 C ATOM 1737 CD2 PHE A 108 -0.320 6.308 -1.909 1.00 0.00 C ATOM 1738 CE1 PHE A 108 1.851 4.698 -2.461 1.00 0.00 C ATOM 1739 CE2 PHE A 108 -0.099 5.168 -1.159 1.00 0.00 C ATOM 1740 CZ PHE A 108 0.989 4.363 -1.435 1.00 0.00 C ATOM 0 H PHE A 108 -0.431 9.498 -2.030 1.00 0.00 H new ATOM 0 HA PHE A 108 2.097 8.711 -2.916 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -0.757 8.174 -3.672 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.484 7.673 -4.804 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.303 6.097 -4.007 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -1.171 6.935 -1.688 1.00 0.00 H new ATOM 0 HE1 PHE A 108 2.701 4.069 -2.680 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.776 4.907 -0.359 1.00 0.00 H new ATOM 0 HZ PHE A 108 1.165 3.473 -0.849 1.00 0.00 H new ATOM 1750 N LEU A 109 0.518 10.780 -4.939 1.00 0.00 N ATOM 1751 CA LEU A 109 0.694 11.664 -6.086 1.00 0.00 C ATOM 1752 C LEU A 109 1.943 12.525 -5.923 1.00 0.00 C ATOM 1753 O LEU A 109 2.791 12.581 -6.813 1.00 0.00 O ATOM 1754 CB LEU A 109 -0.536 12.557 -6.260 1.00 0.00 C ATOM 1755 CG LEU A 109 -1.658 11.992 -7.131 1.00 0.00 C ATOM 1756 CD1 LEU A 109 -1.348 12.202 -8.605 1.00 0.00 C ATOM 1757 CD2 LEU A 109 -1.870 10.514 -6.834 1.00 0.00 C ATOM 0 H LEU A 109 -0.391 10.858 -4.482 1.00 0.00 H new ATOM 0 HA LEU A 109 0.815 11.045 -6.975 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.944 12.775 -5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.213 13.506 -6.688 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.579 12.526 -6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.158 11.793 -9.209 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.247 13.268 -8.807 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.416 11.695 -8.857 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.672 10.128 -7.463 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.951 9.966 -7.041 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.139 10.389 -5.785 1.00 0.00 H new ATOM 1769 N ARG A 110 2.050 13.192 -4.778 1.00 0.00 N ATOM 1770 CA ARG A 110 3.195 14.049 -4.498 1.00 0.00 C ATOM 1771 C ARG A 110 4.503 13.329 -4.811 1.00 0.00 C ATOM 1772 O ARG A 110 5.427 13.915 -5.375 1.00 0.00 O ATOM 1773 CB ARG A 110 3.182 14.491 -3.033 1.00 0.00 C ATOM 1774 CG ARG A 110 2.291 15.693 -2.768 1.00 0.00 C ATOM 1775 CD ARG A 110 2.730 16.447 -1.522 1.00 0.00 C ATOM 1776 NE ARG A 110 1.607 17.102 -0.855 1.00 0.00 N ATOM 1777 CZ ARG A 110 1.638 17.503 0.411 1.00 0.00 C ATOM 1778 NH1 ARG A 110 2.728 17.318 1.143 1.00 0.00 N ATOM 1779 NH2 ARG A 110 0.576 18.091 0.948 1.00 0.00 N ATOM 0 H ARG A 110 1.358 13.155 -4.030 1.00 0.00 H new ATOM 0 HA ARG A 110 3.123 14.929 -5.137 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.848 13.658 -2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.200 14.729 -2.725 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.316 16.363 -3.628 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.259 15.363 -2.651 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.210 15.755 -0.830 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.476 17.194 -1.794 1.00 0.00 H new ATOM 0 HE ARG A 110 0.753 17.260 -1.390 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.546 16.867 0.734 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.748 17.627 2.115 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -0.265 18.235 0.388 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.600 18.399 1.920 1.00 0.00 H new ATOM 1793 N ALA A 111 4.574 12.054 -4.441 1.00 0.00 N ATOM 1794 CA ALA A 111 5.767 11.253 -4.684 1.00 0.00 C ATOM 1795 C ALA A 111 5.989 11.037 -6.177 1.00 0.00 C ATOM 1796 O ALA A 111 7.124 10.916 -6.635 1.00 0.00 O ATOM 1797 CB ALA A 111 5.661 9.917 -3.965 1.00 0.00 C ATOM 0 H ALA A 111 3.819 11.554 -3.972 1.00 0.00 H new ATOM 0 HA ALA A 111 6.626 11.797 -4.291 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.559 9.329 -4.155 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.559 10.088 -2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 111 4.789 9.375 -4.330 1.00 0.00 H new ATOM 1803 N GLY A 112 4.895 10.988 -6.932 1.00 0.00 N ATOM 1804 CA GLY A 112 4.992 10.784 -8.366 1.00 0.00 C ATOM 1805 C GLY A 112 4.269 9.534 -8.824 1.00 0.00 C ATOM 1806 O GLY A 112 4.719 8.849 -9.743 1.00 0.00 O ATOM 0 H GLY A 112 3.944 11.086 -6.576 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.577 11.650 -8.882 1.00 0.00 H new ATOM 0 HA3 GLY A 112 6.042 10.717 -8.650 1.00 0.00 H new ATOM 1810 N VAL A 113 3.144 9.233 -8.182 1.00 0.00 N ATOM 1811 CA VAL A 113 2.357 8.056 -8.529 1.00 0.00 C ATOM 1812 C VAL A 113 1.008 8.450 -9.119 1.00 0.00 C ATOM 1813 O VAL A 113 0.549 7.858 -10.096 1.00 0.00 O ATOM 1814 CB VAL A 113 2.124 7.155 -7.301 1.00 0.00 C ATOM 1815 CG1 VAL A 113 1.298 5.936 -7.682 1.00 0.00 C ATOM 1816 CG2 VAL A 113 3.452 6.738 -6.687 1.00 0.00 C ATOM 0 H VAL A 113 2.758 9.788 -7.419 1.00 0.00 H new ATOM 0 HA VAL A 113 2.928 7.502 -9.274 1.00 0.00 H new ATOM 0 HB VAL A 113 1.567 7.723 -6.556 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.144 5.312 -6.802 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.333 6.258 -8.072 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.825 5.364 -8.445 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.269 6.102 -5.821 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.037 6.188 -7.424 1.00 0.00 H new ATOM 0 HG23 VAL A 113 4.003 7.625 -6.376 1.00 0.00 H new