USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 840 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 108 LYS NZ :NH3+ -170:sc= 0 (180deg=0) USER MOD Set 1.2: A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 34 CYS SG : rot 173:sc= 0.255 USER MOD Set 2.2: A 37 CYS SG : rot 85:sc= -2.02 USER MOD Single : A 8 ASN : amide:sc= -1.29 K(o=-1.3,f=-0.011) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -3.61! C(o=-3.6!,f=-3.7!) USER MOD Single : A 26 MET CE :methyl -152:sc= -0.334 (180deg=-0.584) USER MOD Single : A 30 TYR OH : rot -93:sc= 1.14 USER MOD Single : A 38 GLN : amide:sc= -1.24 K(o=-1.2,f=-3.1!) USER MOD Single : A 39 ASN : amide:sc= -0.165 K(o=-0.17,f=-2.3!) USER MOD Single : A 41 GLN : amide:sc= -1.52! K(o=-1.5!,f=-0.91) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.596 K(o=0.6,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.162 K(o=-0.16,f=-1.1) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc=-0.00386 K(o=-0.0039,f=-0.87) USER MOD Single : A 80 THR OG1 : rot 100:sc= 1.21 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -2.34! K(o=-2.3!,f=-1.1) USER MOD Single : A 84 CYS SG : rot 106:sc= -1.04 USER MOD Single : A 85 LYS NZ :NH3+ 161:sc= 0.466 (180deg=-0.29!) USER MOD Single : A 92 TYR OH : rot 75:sc= 1.18 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.42) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ASN A 8 -9.473 -5.890 -1.124 1.00 0.00 N ATOM 67 CA ASN A 8 -8.281 -6.401 -0.458 1.00 0.00 C ATOM 68 C ASN A 8 -7.604 -5.307 0.362 1.00 0.00 C ATOM 69 O ASN A 8 -6.989 -5.579 1.393 1.00 0.00 O ATOM 70 CB ASN A 8 -7.298 -6.964 -1.487 1.00 0.00 C ATOM 71 CG ASN A 8 -7.906 -8.078 -2.318 1.00 0.00 C ATOM 72 OD1 ASN A 8 -9.099 -8.364 -2.215 1.00 0.00 O ATOM 73 ND2 ASN A 8 -7.085 -8.712 -3.147 1.00 0.00 N ATOM 0 HA ASN A 8 -8.587 -7.200 0.217 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.967 -6.162 -2.146 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -6.413 -7.339 -0.973 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.436 -9.470 -3.732 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.103 -8.441 -3.199 1.00 0.00 H new ATOM 80 N VAL A 9 -7.723 -4.067 -0.103 1.00 0.00 N ATOM 81 CA VAL A 9 -7.125 -2.931 0.588 1.00 0.00 C ATOM 82 C VAL A 9 -7.979 -2.498 1.775 1.00 0.00 C ATOM 83 O VAL A 9 -9.188 -2.309 1.646 1.00 0.00 O ATOM 84 CB VAL A 9 -6.939 -1.732 -0.361 1.00 0.00 C ATOM 85 CG1 VAL A 9 -6.303 -0.562 0.374 1.00 0.00 C ATOM 86 CG2 VAL A 9 -6.103 -2.133 -1.567 1.00 0.00 C ATOM 0 H VAL A 9 -8.228 -3.824 -0.955 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.148 -3.257 0.946 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.920 -1.416 -0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.180 0.275 -0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.944 -0.261 1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.329 -0.861 0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.981 -1.274 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.124 -2.476 -1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.604 -2.937 -2.106 1.00 0.00 H new ATOM 96 N ARG A 10 -7.340 -2.342 2.930 1.00 0.00 N ATOM 97 CA ARG A 10 -8.041 -1.932 4.141 1.00 0.00 C ATOM 98 C ARG A 10 -7.952 -0.421 4.335 1.00 0.00 C ATOM 99 O ARG A 10 -6.973 0.210 3.936 1.00 0.00 O ATOM 100 CB ARG A 10 -7.458 -2.649 5.360 1.00 0.00 C ATOM 101 CG ARG A 10 -7.882 -4.104 5.471 1.00 0.00 C ATOM 102 CD ARG A 10 -9.163 -4.252 6.278 1.00 0.00 C ATOM 103 NE ARG A 10 -10.337 -3.821 5.524 1.00 0.00 N ATOM 104 CZ ARG A 10 -11.509 -3.541 6.084 1.00 0.00 C ATOM 105 NH1 ARG A 10 -11.661 -3.646 7.397 1.00 0.00 N ATOM 106 NH2 ARG A 10 -12.530 -3.155 5.331 1.00 0.00 N ATOM 0 H ARG A 10 -6.339 -2.493 3.053 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.091 -2.206 4.034 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.370 -2.599 5.315 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.764 -2.120 6.263 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.029 -4.518 4.474 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.086 -4.681 5.941 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.286 -5.293 6.576 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.085 -3.666 7.193 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.253 -3.730 4.512 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.877 -3.942 7.979 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.561 -3.431 7.825 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.416 -3.073 4.321 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.429 -2.940 5.762 1.00 0.00 H new ATOM 120 N VAL A 11 -8.982 0.153 4.950 1.00 0.00 N ATOM 121 CA VAL A 11 -9.020 1.589 5.197 1.00 0.00 C ATOM 122 C VAL A 11 -8.712 1.903 6.657 1.00 0.00 C ATOM 123 O VAL A 11 -9.594 1.845 7.514 1.00 0.00 O ATOM 124 CB VAL A 11 -10.393 2.185 4.834 1.00 0.00 C ATOM 125 CG1 VAL A 11 -10.454 3.657 5.212 1.00 0.00 C ATOM 126 CG2 VAL A 11 -10.680 1.995 3.352 1.00 0.00 C ATOM 0 H VAL A 11 -9.800 -0.355 5.286 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.257 2.040 4.562 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.160 1.657 5.401 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.432 4.060 4.948 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.295 3.764 6.285 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.679 4.203 4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.654 2.422 3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.910 2.496 2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.682 0.931 3.115 1.00 0.00 H new ATOM 136 N ILE A 12 -7.456 2.238 6.932 1.00 0.00 N ATOM 137 CA ILE A 12 -7.033 2.563 8.288 1.00 0.00 C ATOM 138 C ILE A 12 -7.433 3.986 8.663 1.00 0.00 C ATOM 139 O ILE A 12 -7.317 4.909 7.856 1.00 0.00 O ATOM 140 CB ILE A 12 -5.509 2.411 8.454 1.00 0.00 C ATOM 141 CG1 ILE A 12 -5.077 0.986 8.103 1.00 0.00 C ATOM 142 CG2 ILE A 12 -5.093 2.761 9.875 1.00 0.00 C ATOM 143 CD1 ILE A 12 -5.764 -0.076 8.933 1.00 0.00 C ATOM 0 H ILE A 12 -6.714 2.291 6.234 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.535 1.859 8.952 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.013 3.101 7.771 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.284 0.802 7.049 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.999 0.899 8.236 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.014 2.649 9.976 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.373 3.792 10.092 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.595 2.094 10.576 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.409 -1.061 8.630 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.537 0.083 9.987 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.842 -0.016 8.781 1.00 0.00 H new ATOM 155 N THR A 13 -7.905 4.158 9.894 1.00 0.00 N ATOM 156 CA THR A 13 -8.322 5.469 10.376 1.00 0.00 C ATOM 157 C THR A 13 -7.518 5.885 11.603 1.00 0.00 C ATOM 158 O THR A 13 -6.561 5.212 11.987 1.00 0.00 O ATOM 159 CB THR A 13 -9.821 5.486 10.730 1.00 0.00 C ATOM 160 OG1 THR A 13 -10.096 4.514 11.745 1.00 0.00 O ATOM 161 CG2 THR A 13 -10.670 5.198 9.501 1.00 0.00 C ATOM 0 H THR A 13 -8.008 3.406 10.575 1.00 0.00 H new ATOM 0 HA THR A 13 -8.138 6.176 9.567 1.00 0.00 H new ATOM 0 HB THR A 13 -10.073 6.479 11.102 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.051 4.532 11.966 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.725 5.215 9.775 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.480 5.957 8.742 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.414 4.216 9.104 1.00 0.00 H new ATOM 169 N ASP A 14 -7.912 6.996 12.214 1.00 0.00 N ATOM 170 CA ASP A 14 -7.228 7.501 13.399 1.00 0.00 C ATOM 171 C ASP A 14 -7.414 6.553 14.579 1.00 0.00 C ATOM 172 O ASP A 14 -6.889 6.790 15.666 1.00 0.00 O ATOM 173 CB ASP A 14 -7.749 8.893 13.760 1.00 0.00 C ATOM 174 CG ASP A 14 -9.227 8.890 14.094 1.00 0.00 C ATOM 175 OD1 ASP A 14 -9.689 7.922 14.734 1.00 0.00 O ATOM 176 OD2 ASP A 14 -9.923 9.855 13.716 1.00 0.00 O ATOM 0 H ASP A 14 -8.702 7.565 11.909 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.164 7.567 13.174 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.188 9.278 14.612 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.569 9.572 12.927 1.00 0.00 H new ATOM 181 N GLU A 15 -8.166 5.480 14.356 1.00 0.00 N ATOM 182 CA GLU A 15 -8.423 4.497 15.403 1.00 0.00 C ATOM 183 C GLU A 15 -7.895 3.123 15.000 1.00 0.00 C ATOM 184 O GLU A 15 -7.441 2.350 15.843 1.00 0.00 O ATOM 185 CB GLU A 15 -9.922 4.414 15.698 1.00 0.00 C ATOM 186 CG GLU A 15 -10.267 3.461 16.831 1.00 0.00 C ATOM 187 CD GLU A 15 -10.450 2.033 16.357 1.00 0.00 C ATOM 188 OE1 GLU A 15 -11.337 1.799 15.509 1.00 0.00 O ATOM 189 OE2 GLU A 15 -9.707 1.149 16.832 1.00 0.00 O ATOM 0 H GLU A 15 -8.608 5.269 13.461 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.900 4.818 16.304 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.291 5.409 15.946 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.444 4.097 14.796 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.476 3.492 17.581 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.182 3.798 17.318 1.00 0.00 H new ATOM 196 N ASN A 16 -7.960 2.827 13.706 1.00 0.00 N ATOM 197 CA ASN A 16 -7.490 1.546 13.191 1.00 0.00 C ATOM 198 C ASN A 16 -5.973 1.434 13.312 1.00 0.00 C ATOM 199 O ASN A 16 -5.428 0.336 13.422 1.00 0.00 O ATOM 200 CB ASN A 16 -7.911 1.375 11.730 1.00 0.00 C ATOM 201 CG ASN A 16 -8.106 -0.080 11.351 1.00 0.00 C ATOM 202 OD1 ASN A 16 -7.899 -0.979 12.167 1.00 0.00 O ATOM 203 ND2 ASN A 16 -8.506 -0.319 10.107 1.00 0.00 N ATOM 0 H ASN A 16 -8.333 3.456 12.995 1.00 0.00 H new ATOM 0 HA ASN A 16 -7.943 0.754 13.788 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.839 1.920 11.556 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.154 1.818 11.082 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.654 -1.279 9.794 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.665 0.457 9.465 1.00 0.00 H new ATOM 210 N TRP A 17 -5.298 2.578 13.291 1.00 0.00 N ATOM 211 CA TRP A 17 -3.844 2.609 13.398 1.00 0.00 C ATOM 212 C TRP A 17 -3.347 1.544 14.369 1.00 0.00 C ATOM 213 O TRP A 17 -2.447 0.768 14.047 1.00 0.00 O ATOM 214 CB TRP A 17 -3.375 3.991 13.854 1.00 0.00 C ATOM 215 CG TRP A 17 -3.686 4.280 15.292 1.00 0.00 C ATOM 216 CD1 TRP A 17 -4.845 4.802 15.790 1.00 0.00 C ATOM 217 CD2 TRP A 17 -2.826 4.063 16.415 1.00 0.00 C ATOM 218 NE1 TRP A 17 -4.757 4.924 17.156 1.00 0.00 N ATOM 219 CE2 TRP A 17 -3.528 4.476 17.564 1.00 0.00 C ATOM 220 CE3 TRP A 17 -1.531 3.558 16.563 1.00 0.00 C ATOM 221 CZ2 TRP A 17 -2.977 4.400 18.841 1.00 0.00 C ATOM 222 CZ3 TRP A 17 -0.985 3.484 17.830 1.00 0.00 C ATOM 223 CH2 TRP A 17 -1.708 3.902 18.956 1.00 0.00 C ATOM 0 H TRP A 17 -5.734 3.496 13.201 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.428 2.399 12.413 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.299 4.071 13.699 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -3.844 4.751 13.229 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -5.705 5.078 15.198 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -5.488 5.289 17.767 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.967 3.231 15.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -3.532 4.723 19.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 0.016 3.098 17.955 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.254 3.829 19.933 1.00 0.00 H new ATOM 234 N ARG A 18 -3.939 1.512 15.559 1.00 0.00 N ATOM 235 CA ARG A 18 -3.555 0.542 16.578 1.00 0.00 C ATOM 236 C ARG A 18 -3.206 -0.802 15.944 1.00 0.00 C ATOM 237 O ARG A 18 -2.092 -1.301 16.100 1.00 0.00 O ATOM 238 CB ARG A 18 -4.685 0.361 17.592 1.00 0.00 C ATOM 239 CG ARG A 18 -4.749 1.465 18.635 1.00 0.00 C ATOM 240 CD ARG A 18 -3.686 1.281 19.707 1.00 0.00 C ATOM 241 NE ARG A 18 -3.983 2.052 20.911 1.00 0.00 N ATOM 242 CZ ARG A 18 -4.955 1.741 21.761 1.00 0.00 C ATOM 243 NH1 ARG A 18 -5.719 0.680 21.541 1.00 0.00 N ATOM 244 NH2 ARG A 18 -5.164 2.492 22.835 1.00 0.00 N ATOM 0 H ARG A 18 -4.686 2.147 15.841 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.673 0.923 17.092 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.636 0.319 17.060 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.559 -0.597 18.096 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.616 2.432 18.151 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.736 1.473 19.097 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.609 0.224 19.963 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.717 1.585 19.312 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.413 2.874 21.110 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.561 0.100 20.717 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.465 0.444 22.196 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.578 3.309 23.008 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.911 2.253 23.487 1.00 0.00 H new ATOM 258 N GLU A 19 -4.166 -1.381 15.231 1.00 0.00 N ATOM 259 CA GLU A 19 -3.959 -2.668 14.575 1.00 0.00 C ATOM 260 C GLU A 19 -2.582 -2.730 13.921 1.00 0.00 C ATOM 261 O GLU A 19 -1.907 -3.759 13.966 1.00 0.00 O ATOM 262 CB GLU A 19 -5.046 -2.911 13.526 1.00 0.00 C ATOM 263 CG GLU A 19 -6.405 -3.238 14.122 1.00 0.00 C ATOM 264 CD GLU A 19 -6.485 -4.657 14.651 1.00 0.00 C ATOM 265 OE1 GLU A 19 -5.672 -5.009 15.531 1.00 0.00 O ATOM 266 OE2 GLU A 19 -7.361 -5.415 14.185 1.00 0.00 O ATOM 0 H GLU A 19 -5.094 -0.981 15.092 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.016 -3.448 15.334 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.138 -2.025 12.898 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.736 -3.730 12.877 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.620 -2.540 14.931 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.174 -3.093 13.364 1.00 0.00 H new ATOM 273 N LEU A 20 -2.172 -1.622 13.313 1.00 0.00 N ATOM 274 CA LEU A 20 -0.876 -1.550 12.648 1.00 0.00 C ATOM 275 C LEU A 20 0.246 -1.967 13.594 1.00 0.00 C ATOM 276 O LEU A 20 1.184 -2.657 13.196 1.00 0.00 O ATOM 277 CB LEU A 20 -0.623 -0.132 12.133 1.00 0.00 C ATOM 278 CG LEU A 20 -1.728 0.474 11.266 1.00 0.00 C ATOM 279 CD1 LEU A 20 -1.432 1.936 10.968 1.00 0.00 C ATOM 280 CD2 LEU A 20 -1.885 -0.314 9.974 1.00 0.00 C ATOM 0 H LEU A 20 -2.718 -0.762 13.267 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.890 -2.240 11.804 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.462 0.521 12.991 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.302 -0.136 11.557 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.667 0.420 11.818 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.229 2.350 10.350 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.371 2.493 11.903 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.483 2.014 10.437 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.675 0.131 9.370 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.948 -0.292 9.418 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.145 -1.347 10.207 1.00 0.00 H new ATOM 292 N LEU A 21 0.141 -1.544 14.849 1.00 0.00 N ATOM 293 CA LEU A 21 1.145 -1.875 15.854 1.00 0.00 C ATOM 294 C LEU A 21 1.358 -3.384 15.935 1.00 0.00 C ATOM 295 O LEU A 21 2.467 -3.850 16.194 1.00 0.00 O ATOM 296 CB LEU A 21 0.725 -1.334 17.222 1.00 0.00 C ATOM 297 CG LEU A 21 0.395 0.158 17.281 1.00 0.00 C ATOM 298 CD1 LEU A 21 -0.119 0.537 18.661 1.00 0.00 C ATOM 299 CD2 LEU A 21 1.618 0.989 16.918 1.00 0.00 C ATOM 0 H LEU A 21 -0.629 -0.971 15.195 1.00 0.00 H new ATOM 0 HA LEU A 21 2.085 -1.409 15.559 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.148 -1.892 17.559 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.526 -1.537 17.932 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.390 0.366 16.554 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.349 1.602 18.684 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.021 -0.033 18.883 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.644 0.314 19.407 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.365 2.048 16.965 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.424 0.777 17.621 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.942 0.738 15.908 1.00 0.00 H new ATOM 311 N GLU A 22 0.288 -4.140 15.710 1.00 0.00 N ATOM 312 CA GLU A 22 0.359 -5.596 15.756 1.00 0.00 C ATOM 313 C GLU A 22 0.336 -6.187 14.350 1.00 0.00 C ATOM 314 O GLU A 22 -0.339 -5.672 13.459 1.00 0.00 O ATOM 315 CB GLU A 22 -0.802 -6.159 16.577 1.00 0.00 C ATOM 316 CG GLU A 22 -2.158 -5.601 16.178 1.00 0.00 C ATOM 317 CD GLU A 22 -3.311 -6.388 16.769 1.00 0.00 C ATOM 318 OE1 GLU A 22 -3.512 -7.549 16.356 1.00 0.00 O ATOM 319 OE2 GLU A 22 -4.012 -5.842 17.647 1.00 0.00 O ATOM 0 H GLU A 22 -0.637 -3.769 15.494 1.00 0.00 H new ATOM 0 HA GLU A 22 1.300 -5.873 16.232 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.819 -7.244 16.470 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.627 -5.946 17.632 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.229 -4.563 16.502 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.242 -5.603 15.091 1.00 0.00 H new ATOM 326 N GLY A 23 1.080 -7.272 14.157 1.00 0.00 N ATOM 327 CA GLY A 23 1.132 -7.915 12.857 1.00 0.00 C ATOM 328 C GLY A 23 1.702 -7.008 11.784 1.00 0.00 C ATOM 329 O GLY A 23 2.057 -5.861 12.056 1.00 0.00 O ATOM 0 H GLY A 23 1.648 -7.717 14.878 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.739 -8.818 12.926 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.128 -8.227 12.569 1.00 0.00 H new ATOM 333 N ASP A 24 1.791 -7.523 10.563 1.00 0.00 N ATOM 334 CA ASP A 24 2.322 -6.752 9.445 1.00 0.00 C ATOM 335 C ASP A 24 1.219 -5.942 8.770 1.00 0.00 C ATOM 336 O ASP A 24 0.094 -6.417 8.615 1.00 0.00 O ATOM 337 CB ASP A 24 2.985 -7.681 8.427 1.00 0.00 C ATOM 338 CG ASP A 24 4.094 -8.514 9.039 1.00 0.00 C ATOM 339 OD1 ASP A 24 3.974 -8.881 10.227 1.00 0.00 O ATOM 340 OD2 ASP A 24 5.082 -8.799 8.330 1.00 0.00 O ATOM 0 H ASP A 24 1.502 -8.471 10.322 1.00 0.00 H new ATOM 0 HA ASP A 24 3.069 -6.060 9.835 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.232 -8.342 7.999 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.390 -7.087 7.608 1.00 0.00 H new ATOM 345 N TRP A 25 1.549 -4.719 8.373 1.00 0.00 N ATOM 346 CA TRP A 25 0.586 -3.843 7.716 1.00 0.00 C ATOM 347 C TRP A 25 1.274 -2.950 6.690 1.00 0.00 C ATOM 348 O TRP A 25 2.193 -2.202 7.021 1.00 0.00 O ATOM 349 CB TRP A 25 -0.142 -2.984 8.751 1.00 0.00 C ATOM 350 CG TRP A 25 -1.168 -3.743 9.538 1.00 0.00 C ATOM 351 CD1 TRP A 25 -0.943 -4.544 10.620 1.00 0.00 C ATOM 352 CD2 TRP A 25 -2.580 -3.772 9.300 1.00 0.00 C ATOM 353 NE1 TRP A 25 -2.130 -5.070 11.070 1.00 0.00 N ATOM 354 CE2 TRP A 25 -3.149 -4.612 10.278 1.00 0.00 C ATOM 355 CE3 TRP A 25 -3.418 -3.171 8.359 1.00 0.00 C ATOM 356 CZ2 TRP A 25 -4.517 -4.863 10.338 1.00 0.00 C ATOM 357 CZ3 TRP A 25 -4.776 -3.421 8.419 1.00 0.00 C ATOM 358 CH2 TRP A 25 -5.315 -4.261 9.404 1.00 0.00 C ATOM 0 H TRP A 25 2.476 -4.311 8.494 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.141 -4.468 7.197 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.589 -2.557 9.437 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -0.627 -2.150 8.244 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.025 -4.736 11.058 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -2.235 -5.700 11.865 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -3.012 -2.522 7.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.934 -5.510 11.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -5.433 -2.962 7.695 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.380 -4.436 9.426 1.00 0.00 H new ATOM 369 N MET A 26 0.822 -3.033 5.442 1.00 0.00 N ATOM 370 CA MET A 26 1.395 -2.230 4.368 1.00 0.00 C ATOM 371 C MET A 26 0.539 -0.997 4.095 1.00 0.00 C ATOM 372 O MET A 26 -0.585 -1.107 3.605 1.00 0.00 O ATOM 373 CB MET A 26 1.527 -3.065 3.093 1.00 0.00 C ATOM 374 CG MET A 26 2.831 -3.843 3.009 1.00 0.00 C ATOM 375 SD MET A 26 4.279 -2.770 2.968 1.00 0.00 S ATOM 376 CE MET A 26 4.560 -2.648 1.203 1.00 0.00 C ATOM 0 H MET A 26 0.062 -3.647 5.150 1.00 0.00 H new ATOM 0 HA MET A 26 2.385 -1.901 4.683 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.692 -3.764 3.038 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.450 -2.407 2.228 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.905 -4.514 3.865 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.820 -4.467 2.115 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.619 -2.472 1.014 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.255 -3.577 0.721 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.977 -1.821 0.798 1.00 0.00 H new ATOM 386 N ILE A 27 1.078 0.174 4.416 1.00 0.00 N ATOM 387 CA ILE A 27 0.363 1.427 4.204 1.00 0.00 C ATOM 388 C ILE A 27 0.966 2.215 3.046 1.00 0.00 C ATOM 389 O ILE A 27 2.169 2.143 2.794 1.00 0.00 O ATOM 390 CB ILE A 27 0.377 2.304 5.470 1.00 0.00 C ATOM 391 CG1 ILE A 27 -0.001 1.472 6.697 1.00 0.00 C ATOM 392 CG2 ILE A 27 -0.572 3.482 5.309 1.00 0.00 C ATOM 393 CD1 ILE A 27 0.585 1.999 7.988 1.00 0.00 C ATOM 0 H ILE A 27 2.007 0.282 4.824 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.668 1.166 3.964 1.00 0.00 H new ATOM 0 HB ILE A 27 1.385 2.692 5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.087 1.443 6.786 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.334 0.446 6.547 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.551 4.092 6.212 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.262 4.085 4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.584 3.114 5.144 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.276 1.360 8.815 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.673 2.002 7.919 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.229 3.015 8.161 1.00 0.00 H new ATOM 405 N GLU A 28 0.123 2.969 2.348 1.00 0.00 N ATOM 406 CA GLU A 28 0.574 3.772 1.217 1.00 0.00 C ATOM 407 C GLU A 28 -0.197 5.086 1.141 1.00 0.00 C ATOM 408 O GLU A 28 -1.382 5.105 0.804 1.00 0.00 O ATOM 409 CB GLU A 28 0.407 2.993 -0.089 1.00 0.00 C ATOM 410 CG GLU A 28 -1.043 2.730 -0.460 1.00 0.00 C ATOM 411 CD GLU A 28 -1.620 3.806 -1.360 1.00 0.00 C ATOM 412 OE1 GLU A 28 -0.850 4.685 -1.801 1.00 0.00 O ATOM 413 OE2 GLU A 28 -2.840 3.769 -1.623 1.00 0.00 O ATOM 0 H GLU A 28 -0.875 3.041 2.545 1.00 0.00 H new ATOM 0 HA GLU A 28 1.630 3.999 1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.885 3.548 -0.897 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.930 2.040 -0.003 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.116 1.765 -0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.640 2.663 0.449 1.00 0.00 H new ATOM 420 N PHE A 29 0.482 6.184 1.457 1.00 0.00 N ATOM 421 CA PHE A 29 -0.139 7.503 1.427 1.00 0.00 C ATOM 422 C PHE A 29 -0.309 7.990 -0.009 1.00 0.00 C ATOM 423 O PHE A 29 0.670 8.236 -0.713 1.00 0.00 O ATOM 424 CB PHE A 29 0.702 8.504 2.221 1.00 0.00 C ATOM 425 CG PHE A 29 0.642 8.292 3.707 1.00 0.00 C ATOM 426 CD1 PHE A 29 1.428 7.326 4.314 1.00 0.00 C ATOM 427 CD2 PHE A 29 -0.200 9.058 4.496 1.00 0.00 C ATOM 428 CE1 PHE A 29 1.376 7.129 5.681 1.00 0.00 C ATOM 429 CE2 PHE A 29 -0.257 8.865 5.863 1.00 0.00 C ATOM 430 CZ PHE A 29 0.532 7.899 6.456 1.00 0.00 C ATOM 0 H PHE A 29 1.463 6.186 1.737 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.125 7.424 1.885 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.739 8.435 1.894 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.362 9.514 1.992 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.089 6.720 3.712 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.819 9.815 4.037 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.995 6.374 6.142 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.918 9.469 6.467 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.489 7.746 7.524 1.00 0.00 H new ATOM 440 N TYR A 30 -1.560 8.127 -0.436 1.00 0.00 N ATOM 441 CA TYR A 30 -1.860 8.582 -1.789 1.00 0.00 C ATOM 442 C TYR A 30 -2.650 9.887 -1.762 1.00 0.00 C ATOM 443 O TYR A 30 -3.183 10.282 -0.725 1.00 0.00 O ATOM 444 CB TYR A 30 -2.647 7.512 -2.546 1.00 0.00 C ATOM 445 CG TYR A 30 -4.116 7.473 -2.187 1.00 0.00 C ATOM 446 CD1 TYR A 30 -5.015 8.363 -2.760 1.00 0.00 C ATOM 447 CD2 TYR A 30 -4.603 6.544 -1.276 1.00 0.00 C ATOM 448 CE1 TYR A 30 -6.357 8.331 -2.434 1.00 0.00 C ATOM 449 CE2 TYR A 30 -5.944 6.504 -0.945 1.00 0.00 C ATOM 450 CZ TYR A 30 -6.817 7.400 -1.526 1.00 0.00 C ATOM 451 OH TYR A 30 -8.153 7.364 -1.200 1.00 0.00 O ATOM 0 H TYR A 30 -2.382 7.930 0.135 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.916 8.761 -2.303 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.548 7.690 -3.617 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.206 6.536 -2.342 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.659 9.092 -3.472 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.922 5.841 -0.819 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.043 9.031 -2.888 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.307 5.775 -0.235 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.309 7.909 -0.401 1.00 0.00 H new ATOM 461 N ALA A 31 -2.721 10.552 -2.910 1.00 0.00 N ATOM 462 CA ALA A 31 -3.447 11.811 -3.020 1.00 0.00 C ATOM 463 C ALA A 31 -4.180 11.907 -4.354 1.00 0.00 C ATOM 464 O ALA A 31 -3.644 11.570 -5.410 1.00 0.00 O ATOM 465 CB ALA A 31 -2.495 12.986 -2.854 1.00 0.00 C ATOM 0 H ALA A 31 -2.284 10.240 -3.777 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.190 11.844 -2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.051 13.920 -2.939 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.020 12.934 -1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.731 12.947 -3.630 1.00 0.00 H new ATOM 471 N PRO A 32 -5.435 12.376 -4.308 1.00 0.00 N ATOM 472 CA PRO A 32 -6.269 12.527 -5.504 1.00 0.00 C ATOM 473 C PRO A 32 -5.779 13.648 -6.415 1.00 0.00 C ATOM 474 O PRO A 32 -6.096 13.677 -7.604 1.00 0.00 O ATOM 475 CB PRO A 32 -7.649 12.865 -4.935 1.00 0.00 C ATOM 476 CG PRO A 32 -7.370 13.481 -3.607 1.00 0.00 C ATOM 477 CD PRO A 32 -6.138 12.797 -3.084 1.00 0.00 C ATOM 0 HA PRO A 32 -6.257 11.631 -6.124 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.188 13.554 -5.586 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.266 11.972 -4.836 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.210 14.555 -3.701 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.211 13.342 -2.928 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.529 13.472 -2.483 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.389 11.945 -2.452 1.00 0.00 H new ATOM 485 N TRP A 33 -5.005 14.567 -5.849 1.00 0.00 N ATOM 486 CA TRP A 33 -4.471 15.690 -6.611 1.00 0.00 C ATOM 487 C TRP A 33 -3.046 15.406 -7.074 1.00 0.00 C ATOM 488 O TRP A 33 -2.542 16.051 -7.994 1.00 0.00 O ATOM 489 CB TRP A 33 -4.501 16.966 -5.768 1.00 0.00 C ATOM 490 CG TRP A 33 -4.423 16.705 -4.294 1.00 0.00 C ATOM 491 CD1 TRP A 33 -5.433 16.838 -3.384 1.00 0.00 C ATOM 492 CD2 TRP A 33 -3.274 16.270 -3.560 1.00 0.00 C ATOM 493 NE1 TRP A 33 -4.980 16.511 -2.128 1.00 0.00 N ATOM 494 CE2 TRP A 33 -3.659 16.158 -2.210 1.00 0.00 C ATOM 495 CE3 TRP A 33 -1.957 15.961 -3.913 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -2.774 15.752 -1.215 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -1.080 15.559 -2.924 1.00 0.00 C ATOM 498 CH2 TRP A 33 -1.491 15.456 -1.588 1.00 0.00 C ATOM 0 H TRP A 33 -4.733 14.557 -4.866 1.00 0.00 H new ATOM 0 HA TRP A 33 -5.098 15.830 -7.491 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -3.669 17.606 -6.061 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -5.417 17.515 -5.985 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -6.439 17.154 -3.617 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.537 16.528 -1.274 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.631 16.035 -4.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.089 15.673 -0.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.060 15.320 -3.185 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -0.782 15.137 -0.839 1.00 0.00 H new ATOM 509 N CYS A 34 -2.403 14.437 -6.432 1.00 0.00 N ATOM 510 CA CYS A 34 -1.035 14.068 -6.778 1.00 0.00 C ATOM 511 C CYS A 34 -1.016 13.079 -7.938 1.00 0.00 C ATOM 512 O CYS A 34 -1.665 12.034 -7.906 1.00 0.00 O ATOM 513 CB CYS A 34 -0.325 13.464 -5.565 1.00 0.00 C ATOM 514 SG CYS A 34 1.456 13.243 -5.786 1.00 0.00 S ATOM 0 H CYS A 34 -2.807 13.893 -5.669 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.508 14.971 -7.086 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.496 14.106 -4.701 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.775 12.497 -5.338 1.00 0.00 H new ATOM 0 HG CYS A 34 1.990 12.869 -4.661 1.00 0.00 H new ATOM 520 N PRO A 35 -0.254 13.415 -8.990 1.00 0.00 N ATOM 521 CA PRO A 35 -0.133 12.570 -10.182 1.00 0.00 C ATOM 522 C PRO A 35 0.643 11.287 -9.906 1.00 0.00 C ATOM 523 O PRO A 35 0.181 10.191 -10.223 1.00 0.00 O ATOM 524 CB PRO A 35 0.632 13.456 -11.169 1.00 0.00 C ATOM 525 CG PRO A 35 1.400 14.402 -10.312 1.00 0.00 C ATOM 526 CD PRO A 35 0.547 14.646 -9.097 1.00 0.00 C ATOM 0 HA PRO A 35 -1.105 12.241 -10.549 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.296 12.865 -11.799 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.049 13.988 -11.834 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.365 13.980 -10.033 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.601 15.333 -10.841 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.154 14.809 -8.206 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.084 15.527 -9.219 1.00 0.00 H new ATOM 534 N ALA A 36 1.824 11.430 -9.314 1.00 0.00 N ATOM 535 CA ALA A 36 2.662 10.282 -8.994 1.00 0.00 C ATOM 536 C ALA A 36 1.864 9.204 -8.268 1.00 0.00 C ATOM 537 O ALA A 36 1.996 8.016 -8.564 1.00 0.00 O ATOM 538 CB ALA A 36 3.853 10.716 -8.151 1.00 0.00 C ATOM 0 H ALA A 36 2.222 12.330 -9.046 1.00 0.00 H new ATOM 0 HA ALA A 36 3.027 9.859 -9.930 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.470 9.848 -7.919 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.445 11.445 -8.705 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.498 11.166 -7.224 1.00 0.00 H new ATOM 544 N CYS A 37 1.037 9.626 -7.319 1.00 0.00 N ATOM 545 CA CYS A 37 0.217 8.696 -6.550 1.00 0.00 C ATOM 546 C CYS A 37 -0.706 7.899 -7.466 1.00 0.00 C ATOM 547 O CYS A 37 -0.975 6.724 -7.220 1.00 0.00 O ATOM 548 CB CYS A 37 -0.608 9.452 -5.507 1.00 0.00 C ATOM 549 SG CYS A 37 0.358 10.075 -4.112 1.00 0.00 S ATOM 0 H CYS A 37 0.916 10.606 -7.063 1.00 0.00 H new ATOM 0 HA CYS A 37 0.883 8.000 -6.040 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.107 10.290 -5.993 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.388 8.792 -5.129 1.00 0.00 H new ATOM 0 HG CYS A 37 0.885 11.221 -4.426 1.00 0.00 H new ATOM 555 N GLN A 38 -1.187 8.547 -8.521 1.00 0.00 N ATOM 556 CA GLN A 38 -2.082 7.899 -9.473 1.00 0.00 C ATOM 557 C GLN A 38 -1.430 6.659 -10.075 1.00 0.00 C ATOM 558 O GLN A 38 -2.095 5.653 -10.320 1.00 0.00 O ATOM 559 CB GLN A 38 -2.473 8.875 -10.584 1.00 0.00 C ATOM 560 CG GLN A 38 -2.930 10.231 -10.070 1.00 0.00 C ATOM 561 CD GLN A 38 -4.024 10.122 -9.027 1.00 0.00 C ATOM 562 OE1 GLN A 38 -4.657 9.075 -8.881 1.00 0.00 O ATOM 563 NE2 GLN A 38 -4.254 11.204 -8.293 1.00 0.00 N ATOM 0 H GLN A 38 -0.972 9.520 -8.739 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.980 7.591 -8.938 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.621 9.016 -11.249 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.272 8.433 -11.180 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.078 10.759 -9.643 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.290 10.830 -10.907 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.706 12.051 -8.447 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.978 11.189 -7.575 1.00 0.00 H new ATOM 572 N ASN A 39 -0.125 6.739 -10.313 1.00 0.00 N ATOM 573 CA ASN A 39 0.617 5.623 -10.888 1.00 0.00 C ATOM 574 C ASN A 39 0.666 4.445 -9.919 1.00 0.00 C ATOM 575 O ASN A 39 0.724 3.287 -10.335 1.00 0.00 O ATOM 576 CB ASN A 39 2.038 6.061 -11.249 1.00 0.00 C ATOM 577 CG ASN A 39 2.127 6.639 -12.648 1.00 0.00 C ATOM 578 OD1 ASN A 39 1.244 6.424 -13.478 1.00 0.00 O ATOM 579 ND2 ASN A 39 3.197 7.379 -12.915 1.00 0.00 N ATOM 0 H ASN A 39 0.440 7.565 -10.117 1.00 0.00 H new ATOM 0 HA ASN A 39 0.101 5.304 -11.794 1.00 0.00 H new ATOM 0 HB2 ASN A 39 2.380 6.805 -10.529 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.710 5.207 -11.168 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.311 7.795 -13.839 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.904 7.531 -12.196 1.00 0.00 H new ATOM 586 N LEU A 40 0.643 4.749 -8.626 1.00 0.00 N ATOM 587 CA LEU A 40 0.683 3.716 -7.597 1.00 0.00 C ATOM 588 C LEU A 40 -0.705 3.134 -7.355 1.00 0.00 C ATOM 589 O LEU A 40 -0.848 1.946 -7.064 1.00 0.00 O ATOM 590 CB LEU A 40 1.243 4.289 -6.294 1.00 0.00 C ATOM 591 CG LEU A 40 1.419 3.295 -5.145 1.00 0.00 C ATOM 592 CD1 LEU A 40 2.584 2.358 -5.423 1.00 0.00 C ATOM 593 CD2 LEU A 40 1.627 4.032 -3.830 1.00 0.00 C ATOM 0 H LEU A 40 0.597 5.702 -8.265 1.00 0.00 H new ATOM 0 HA LEU A 40 1.336 2.916 -7.945 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.211 4.743 -6.506 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.582 5.088 -5.958 1.00 0.00 H new ATOM 0 HG LEU A 40 0.511 2.698 -5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.694 1.658 -4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.394 1.805 -6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.500 2.939 -5.531 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.750 3.309 -3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.519 4.655 -3.899 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.761 4.661 -3.624 1.00 0.00 H new ATOM 605 N GLN A 41 -1.725 3.977 -7.478 1.00 0.00 N ATOM 606 CA GLN A 41 -3.102 3.545 -7.274 1.00 0.00 C ATOM 607 C GLN A 41 -3.298 2.108 -7.746 1.00 0.00 C ATOM 608 O GLN A 41 -3.726 1.234 -6.992 1.00 0.00 O ATOM 609 CB GLN A 41 -4.066 4.473 -8.016 1.00 0.00 C ATOM 610 CG GLN A 41 -4.557 5.639 -7.174 1.00 0.00 C ATOM 611 CD GLN A 41 -4.928 5.225 -5.763 1.00 0.00 C ATOM 612 OE1 GLN A 41 -6.076 4.874 -5.489 1.00 0.00 O ATOM 613 NE2 GLN A 41 -3.956 5.263 -4.859 1.00 0.00 N ATOM 0 H GLN A 41 -1.623 4.963 -7.718 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.315 3.590 -6.206 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.571 4.861 -8.906 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.925 3.894 -8.356 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.782 6.404 -7.132 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.424 6.090 -7.656 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.019 5.560 -5.130 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.147 4.995 -3.894 1.00 0.00 H new ATOM 622 N PRO A 42 -2.976 1.855 -9.023 1.00 0.00 N ATOM 623 CA PRO A 42 -3.108 0.524 -9.624 1.00 0.00 C ATOM 624 C PRO A 42 -2.089 -0.466 -9.069 1.00 0.00 C ATOM 625 O PRO A 42 -2.433 -1.597 -8.728 1.00 0.00 O ATOM 626 CB PRO A 42 -2.851 0.779 -11.111 1.00 0.00 C ATOM 627 CG PRO A 42 -2.012 2.010 -11.145 1.00 0.00 C ATOM 628 CD PRO A 42 -2.460 2.848 -9.979 1.00 0.00 C ATOM 0 HA PRO A 42 -4.080 0.077 -9.416 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.337 -0.063 -11.574 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.785 0.921 -11.655 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.953 1.763 -11.064 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.144 2.546 -12.085 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.635 3.422 -9.556 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.229 3.563 -10.270 1.00 0.00 H new ATOM 636 N GLU A 43 -0.836 -0.032 -8.983 1.00 0.00 N ATOM 637 CA GLU A 43 0.232 -0.881 -8.469 1.00 0.00 C ATOM 638 C GLU A 43 -0.159 -1.497 -7.129 1.00 0.00 C ATOM 639 O GLU A 43 0.184 -2.643 -6.837 1.00 0.00 O ATOM 640 CB GLU A 43 1.525 -0.077 -8.316 1.00 0.00 C ATOM 641 CG GLU A 43 2.414 -0.113 -9.548 1.00 0.00 C ATOM 642 CD GLU A 43 2.609 -1.518 -10.085 1.00 0.00 C ATOM 643 OE1 GLU A 43 2.584 -2.471 -9.279 1.00 0.00 O ATOM 644 OE2 GLU A 43 2.787 -1.663 -11.313 1.00 0.00 O ATOM 0 H GLU A 43 -0.536 0.902 -9.262 1.00 0.00 H new ATOM 0 HA GLU A 43 0.397 -1.686 -9.185 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.274 0.959 -8.090 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.084 -0.463 -7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.976 0.512 -10.326 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.385 0.317 -9.303 1.00 0.00 H new ATOM 651 N TRP A 44 -0.877 -0.728 -6.319 1.00 0.00 N ATOM 652 CA TRP A 44 -1.314 -1.196 -5.009 1.00 0.00 C ATOM 653 C TRP A 44 -2.352 -2.305 -5.146 1.00 0.00 C ATOM 654 O TRP A 44 -2.184 -3.394 -4.599 1.00 0.00 O ATOM 655 CB TRP A 44 -1.892 -0.037 -4.196 1.00 0.00 C ATOM 656 CG TRP A 44 -1.763 -0.227 -2.715 1.00 0.00 C ATOM 657 CD1 TRP A 44 -2.772 -0.202 -1.795 1.00 0.00 C ATOM 658 CD2 TRP A 44 -0.556 -0.468 -1.984 1.00 0.00 C ATOM 659 NE1 TRP A 44 -2.265 -0.414 -0.535 1.00 0.00 N ATOM 660 CE2 TRP A 44 -0.908 -0.580 -0.624 1.00 0.00 C ATOM 661 CE3 TRP A 44 0.787 -0.601 -2.345 1.00 0.00 C ATOM 662 CZ2 TRP A 44 0.035 -0.819 0.371 1.00 0.00 C ATOM 663 CZ3 TRP A 44 1.722 -0.838 -1.356 1.00 0.00 C ATOM 664 CH2 TRP A 44 1.343 -0.946 -0.011 1.00 0.00 C ATOM 0 H TRP A 44 -1.169 0.223 -6.546 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.446 -1.598 -4.487 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.387 0.885 -4.482 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.945 0.085 -4.449 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.815 -0.040 -2.024 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.811 -0.443 0.326 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.089 -0.520 -3.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.255 -0.901 1.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.763 -0.942 -1.624 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.098 -1.133 0.738 1.00 0.00 H new ATOM 675 N GLU A 45 -3.424 -2.019 -5.879 1.00 0.00 N ATOM 676 CA GLU A 45 -4.488 -2.993 -6.086 1.00 0.00 C ATOM 677 C GLU A 45 -3.919 -4.332 -6.547 1.00 0.00 C ATOM 678 O GLU A 45 -4.276 -5.385 -6.019 1.00 0.00 O ATOM 679 CB GLU A 45 -5.493 -2.472 -7.115 1.00 0.00 C ATOM 680 CG GLU A 45 -6.479 -1.465 -6.548 1.00 0.00 C ATOM 681 CD GLU A 45 -7.755 -1.375 -7.362 1.00 0.00 C ATOM 682 OE1 GLU A 45 -7.662 -1.331 -8.607 1.00 0.00 O ATOM 683 OE2 GLU A 45 -8.846 -1.349 -6.755 1.00 0.00 O ATOM 0 H GLU A 45 -3.578 -1.121 -6.339 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.998 -3.143 -5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.950 -2.011 -7.940 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.046 -3.315 -7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.725 -1.741 -5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.008 -0.483 -6.509 1.00 0.00 H new ATOM 690 N SER A 46 -3.032 -4.282 -7.536 1.00 0.00 N ATOM 691 CA SER A 46 -2.416 -5.490 -8.072 1.00 0.00 C ATOM 692 C SER A 46 -1.541 -6.166 -7.020 1.00 0.00 C ATOM 693 O SER A 46 -1.285 -7.368 -7.089 1.00 0.00 O ATOM 694 CB SER A 46 -1.580 -5.156 -9.309 1.00 0.00 C ATOM 695 OG SER A 46 -2.408 -4.808 -10.405 1.00 0.00 O ATOM 0 H SER A 46 -2.724 -3.418 -7.982 1.00 0.00 H new ATOM 0 HA SER A 46 -3.212 -6.179 -8.355 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.904 -4.331 -9.083 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.960 -6.012 -9.575 1.00 0.00 H new ATOM 0 HG SER A 46 -1.850 -4.597 -11.183 1.00 0.00 H new ATOM 701 N PHE A 47 -1.085 -5.384 -6.047 1.00 0.00 N ATOM 702 CA PHE A 47 -0.238 -5.905 -4.981 1.00 0.00 C ATOM 703 C PHE A 47 -1.075 -6.610 -3.917 1.00 0.00 C ATOM 704 O PHE A 47 -0.866 -7.787 -3.627 1.00 0.00 O ATOM 705 CB PHE A 47 0.571 -4.774 -4.344 1.00 0.00 C ATOM 706 CG PHE A 47 0.902 -5.014 -2.899 1.00 0.00 C ATOM 707 CD1 PHE A 47 1.183 -6.291 -2.442 1.00 0.00 C ATOM 708 CD2 PHE A 47 0.932 -3.962 -1.997 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.489 -6.515 -1.113 1.00 0.00 C ATOM 710 CE2 PHE A 47 1.237 -4.180 -0.667 1.00 0.00 C ATOM 711 CZ PHE A 47 1.515 -5.458 -0.224 1.00 0.00 C ATOM 0 H PHE A 47 -1.288 -4.387 -5.975 1.00 0.00 H new ATOM 0 HA PHE A 47 0.448 -6.631 -5.418 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.497 -4.641 -4.903 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.010 -3.843 -4.430 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.163 -7.121 -3.132 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.715 -2.960 -2.338 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.708 -7.515 -0.770 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.258 -3.351 0.025 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.752 -5.631 0.815 1.00 0.00 H new ATOM 721 N ALA A 48 -2.022 -5.879 -3.338 1.00 0.00 N ATOM 722 CA ALA A 48 -2.891 -6.432 -2.307 1.00 0.00 C ATOM 723 C ALA A 48 -3.433 -7.797 -2.721 1.00 0.00 C ATOM 724 O ALA A 48 -3.844 -8.592 -1.877 1.00 0.00 O ATOM 725 CB ALA A 48 -4.036 -5.475 -2.012 1.00 0.00 C ATOM 0 H ALA A 48 -2.207 -4.902 -3.566 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.300 -6.564 -1.401 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.677 -5.901 -1.240 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.634 -4.523 -1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.619 -5.314 -2.919 1.00 0.00 H new ATOM 731 N GLU A 49 -3.430 -8.059 -4.024 1.00 0.00 N ATOM 732 CA GLU A 49 -3.924 -9.327 -4.548 1.00 0.00 C ATOM 733 C GLU A 49 -3.206 -10.503 -3.891 1.00 0.00 C ATOM 734 O GLU A 49 -3.835 -11.352 -3.259 1.00 0.00 O ATOM 735 CB GLU A 49 -3.737 -9.385 -6.065 1.00 0.00 C ATOM 736 CG GLU A 49 -4.802 -8.627 -6.839 1.00 0.00 C ATOM 737 CD GLU A 49 -5.993 -9.495 -7.195 1.00 0.00 C ATOM 738 OE1 GLU A 49 -6.682 -9.967 -6.266 1.00 0.00 O ATOM 739 OE2 GLU A 49 -6.237 -9.701 -8.402 1.00 0.00 O ATOM 0 H GLU A 49 -3.091 -7.411 -4.735 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.987 -9.397 -4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.758 -8.978 -6.318 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.741 -10.427 -6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.141 -7.777 -6.246 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.365 -8.224 -7.753 1.00 0.00 H new ATOM 746 N TRP A 50 -1.888 -10.545 -4.046 1.00 0.00 N ATOM 747 CA TRP A 50 -1.085 -11.617 -3.468 1.00 0.00 C ATOM 748 C TRP A 50 -0.623 -11.254 -2.061 1.00 0.00 C ATOM 749 O TRP A 50 -0.252 -12.124 -1.275 1.00 0.00 O ATOM 750 CB TRP A 50 0.125 -11.910 -4.356 1.00 0.00 C ATOM 751 CG TRP A 50 0.911 -10.685 -4.713 1.00 0.00 C ATOM 752 CD1 TRP A 50 0.972 -10.076 -5.934 1.00 0.00 C ATOM 753 CD2 TRP A 50 1.750 -9.921 -3.840 1.00 0.00 C ATOM 754 NE1 TRP A 50 1.797 -8.980 -5.872 1.00 0.00 N ATOM 755 CE2 TRP A 50 2.287 -8.862 -4.598 1.00 0.00 C ATOM 756 CE3 TRP A 50 2.099 -10.026 -2.490 1.00 0.00 C ATOM 757 CZ2 TRP A 50 3.153 -7.919 -4.051 1.00 0.00 C ATOM 758 CZ3 TRP A 50 2.958 -9.090 -1.949 1.00 0.00 C ATOM 759 CH2 TRP A 50 3.477 -8.047 -2.728 1.00 0.00 C ATOM 0 H TRP A 50 -1.353 -9.850 -4.566 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.707 -12.510 -3.406 1.00 0.00 H new ATOM 0 HB2 TRP A 50 0.779 -12.616 -3.845 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.214 -12.395 -5.271 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.448 -10.408 -6.818 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.011 -8.355 -6.649 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.704 -10.825 -1.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.555 -7.115 -4.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.235 -9.163 -0.908 1.00 0.00 H new ATOM 0 HH2 TRP A 50 4.146 -7.330 -2.275 1.00 0.00 H new ATOM 770 N GLY A 51 -0.648 -9.961 -1.750 1.00 0.00 N ATOM 771 CA GLY A 51 -0.229 -9.506 -0.437 1.00 0.00 C ATOM 772 C GLY A 51 -0.629 -10.468 0.665 1.00 0.00 C ATOM 773 O GLY A 51 0.215 -11.172 1.218 1.00 0.00 O ATOM 0 H GLY A 51 -0.951 -9.221 -2.384 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.853 -9.378 -0.428 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.667 -8.528 -0.238 1.00 0.00 H new ATOM 777 N GLU A 52 -1.919 -10.496 0.984 1.00 0.00 N ATOM 778 CA GLU A 52 -2.427 -11.376 2.029 1.00 0.00 C ATOM 779 C GLU A 52 -1.886 -12.793 1.858 1.00 0.00 C ATOM 780 O GLU A 52 -1.617 -13.488 2.838 1.00 0.00 O ATOM 781 CB GLU A 52 -3.957 -11.398 2.010 1.00 0.00 C ATOM 782 CG GLU A 52 -4.540 -12.141 0.820 1.00 0.00 C ATOM 783 CD GLU A 52 -6.036 -12.355 0.941 1.00 0.00 C ATOM 784 OE1 GLU A 52 -6.445 -13.290 1.661 1.00 0.00 O ATOM 785 OE2 GLU A 52 -6.798 -11.588 0.316 1.00 0.00 O ATOM 0 H GLU A 52 -2.630 -9.920 0.534 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.088 -10.989 2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.317 -11.861 2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.327 -10.373 2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.329 -11.581 -0.091 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.045 -13.107 0.722 1.00 0.00 H new ATOM 792 N ASP A 53 -1.729 -13.213 0.608 1.00 0.00 N ATOM 793 CA ASP A 53 -1.219 -14.545 0.307 1.00 0.00 C ATOM 794 C ASP A 53 0.113 -14.789 1.010 1.00 0.00 C ATOM 795 O ASP A 53 0.367 -15.881 1.521 1.00 0.00 O ATOM 796 CB ASP A 53 -1.053 -14.723 -1.203 1.00 0.00 C ATOM 797 CG ASP A 53 -1.248 -16.161 -1.642 1.00 0.00 C ATOM 798 OD1 ASP A 53 -0.414 -17.013 -1.270 1.00 0.00 O ATOM 799 OD2 ASP A 53 -2.234 -16.434 -2.357 1.00 0.00 O ATOM 0 H ASP A 53 -1.948 -12.650 -0.214 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.942 -15.274 0.673 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.771 -14.087 -1.722 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.059 -14.388 -1.498 1.00 0.00 H new ATOM 804 N LEU A 54 0.961 -13.766 1.030 1.00 0.00 N ATOM 805 CA LEU A 54 2.268 -13.869 1.669 1.00 0.00 C ATOM 806 C LEU A 54 2.175 -13.542 3.156 1.00 0.00 C ATOM 807 O LEU A 54 3.178 -13.230 3.797 1.00 0.00 O ATOM 808 CB LEU A 54 3.265 -12.929 0.990 1.00 0.00 C ATOM 809 CG LEU A 54 3.332 -13.010 -0.535 1.00 0.00 C ATOM 810 CD1 LEU A 54 4.110 -11.831 -1.099 1.00 0.00 C ATOM 811 CD2 LEU A 54 3.962 -14.325 -0.972 1.00 0.00 C ATOM 0 H LEU A 54 0.767 -12.856 0.611 1.00 0.00 H new ATOM 0 HA LEU A 54 2.616 -14.896 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.016 -11.905 1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.258 -13.136 1.389 1.00 0.00 H new ATOM 0 HG LEU A 54 2.316 -12.969 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.147 -11.906 -2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.617 -10.901 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.124 -11.840 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.002 -14.365 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.972 -14.396 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.364 -15.157 -0.600 1.00 0.00 H new ATOM 823 N GLU A 55 0.963 -13.617 3.699 1.00 0.00 N ATOM 824 CA GLU A 55 0.740 -13.329 5.111 1.00 0.00 C ATOM 825 C GLU A 55 1.072 -11.874 5.429 1.00 0.00 C ATOM 826 O GLU A 55 1.877 -11.589 6.316 1.00 0.00 O ATOM 827 CB GLU A 55 1.586 -14.260 5.983 1.00 0.00 C ATOM 828 CG GLU A 55 1.154 -14.288 7.440 1.00 0.00 C ATOM 829 CD GLU A 55 -0.038 -15.195 7.677 1.00 0.00 C ATOM 830 OE1 GLU A 55 -0.973 -15.173 6.850 1.00 0.00 O ATOM 831 OE2 GLU A 55 -0.035 -15.925 8.690 1.00 0.00 O ATOM 0 H GLU A 55 0.122 -13.874 3.183 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.315 -13.498 5.328 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.534 -15.271 5.578 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.629 -13.948 5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.989 -14.622 8.056 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.906 -13.276 7.761 1.00 0.00 H new ATOM 838 N VAL A 56 0.447 -10.957 4.698 1.00 0.00 N ATOM 839 CA VAL A 56 0.675 -9.531 4.902 1.00 0.00 C ATOM 840 C VAL A 56 -0.574 -8.722 4.571 1.00 0.00 C ATOM 841 O VAL A 56 -1.208 -8.934 3.539 1.00 0.00 O ATOM 842 CB VAL A 56 1.846 -9.022 4.041 1.00 0.00 C ATOM 843 CG1 VAL A 56 1.358 -8.628 2.655 1.00 0.00 C ATOM 844 CG2 VAL A 56 2.538 -7.851 4.723 1.00 0.00 C ATOM 0 H VAL A 56 -0.221 -11.176 3.959 1.00 0.00 H new ATOM 0 HA VAL A 56 0.922 -9.397 5.955 1.00 0.00 H new ATOM 0 HB VAL A 56 2.570 -9.829 3.930 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.199 -8.271 2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.911 -9.494 2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.614 -7.836 2.743 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.363 -7.504 4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.824 -7.040 4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.923 -8.170 5.692 1.00 0.00 H new ATOM 854 N ASN A 57 -0.923 -7.794 5.457 1.00 0.00 N ATOM 855 CA ASN A 57 -2.097 -6.952 5.259 1.00 0.00 C ATOM 856 C ASN A 57 -1.740 -5.697 4.470 1.00 0.00 C ATOM 857 O ASN A 57 -0.627 -5.181 4.575 1.00 0.00 O ATOM 858 CB ASN A 57 -2.705 -6.564 6.609 1.00 0.00 C ATOM 859 CG ASN A 57 -3.120 -7.773 7.425 1.00 0.00 C ATOM 860 OD1 ASN A 57 -4.091 -8.454 7.096 1.00 0.00 O ATOM 861 ND2 ASN A 57 -2.384 -8.044 8.497 1.00 0.00 N ATOM 0 H ASN A 57 -0.410 -7.607 6.318 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.830 -7.522 4.688 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.981 -5.978 7.175 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.573 -5.925 6.444 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.615 -8.844 9.085 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.587 -7.452 8.732 1.00 0.00 H new ATOM 868 N ILE A 58 -2.692 -5.210 3.681 1.00 0.00 N ATOM 869 CA ILE A 58 -2.478 -4.014 2.875 1.00 0.00 C ATOM 870 C ILE A 58 -3.605 -3.007 3.077 1.00 0.00 C ATOM 871 O ILE A 58 -4.771 -3.304 2.820 1.00 0.00 O ATOM 872 CB ILE A 58 -2.373 -4.356 1.377 1.00 0.00 C ATOM 873 CG1 ILE A 58 -1.269 -5.389 1.143 1.00 0.00 C ATOM 874 CG2 ILE A 58 -2.110 -3.098 0.564 1.00 0.00 C ATOM 875 CD1 ILE A 58 -1.712 -6.814 1.388 1.00 0.00 C ATOM 0 H ILE A 58 -3.619 -5.625 3.583 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.537 -3.574 3.206 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.320 -4.785 1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.911 -5.300 0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.426 -5.162 1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.038 -3.356 -0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.928 -2.392 0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.175 -2.643 0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.878 -7.491 1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.043 -6.920 2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.535 -7.060 0.717 1.00 0.00 H new ATOM 887 N ALA A 59 -3.247 -1.813 3.539 1.00 0.00 N ATOM 888 CA ALA A 59 -4.227 -0.759 3.772 1.00 0.00 C ATOM 889 C ALA A 59 -3.835 0.525 3.050 1.00 0.00 C ATOM 890 O ALA A 59 -2.754 0.618 2.468 1.00 0.00 O ATOM 891 CB ALA A 59 -4.381 -0.502 5.264 1.00 0.00 C ATOM 0 H ALA A 59 -2.286 -1.552 3.759 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.184 -1.092 3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.116 0.287 5.423 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.716 -1.414 5.758 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.422 -0.195 5.681 1.00 0.00 H new ATOM 897 N LYS A 60 -4.721 1.514 3.089 1.00 0.00 N ATOM 898 CA LYS A 60 -4.468 2.795 2.438 1.00 0.00 C ATOM 899 C LYS A 60 -4.946 3.952 3.310 1.00 0.00 C ATOM 900 O LYS A 60 -5.941 3.834 4.025 1.00 0.00 O ATOM 901 CB LYS A 60 -5.167 2.845 1.077 1.00 0.00 C ATOM 902 CG LYS A 60 -6.659 3.113 1.169 1.00 0.00 C ATOM 903 CD LYS A 60 -7.317 3.079 -0.200 1.00 0.00 C ATOM 904 CE LYS A 60 -8.769 2.636 -0.109 1.00 0.00 C ATOM 905 NZ LYS A 60 -9.335 2.311 -1.448 1.00 0.00 N ATOM 0 H LYS A 60 -5.621 1.454 3.565 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.392 2.894 2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.704 3.622 0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.008 1.898 0.561 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.124 2.369 1.816 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.827 4.086 1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.265 4.068 -0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.768 2.399 -0.852 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.842 1.762 0.538 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.361 3.425 0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.326 2.013 -1.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.289 3.152 -2.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.786 1.540 -1.879 1.00 0.00 H new ATOM 919 N VAL A 61 -4.231 5.070 3.245 1.00 0.00 N ATOM 920 CA VAL A 61 -4.584 6.250 4.026 1.00 0.00 C ATOM 921 C VAL A 61 -4.832 7.453 3.123 1.00 0.00 C ATOM 922 O VAL A 61 -4.038 7.745 2.229 1.00 0.00 O ATOM 923 CB VAL A 61 -3.480 6.602 5.040 1.00 0.00 C ATOM 924 CG1 VAL A 61 -3.822 7.887 5.778 1.00 0.00 C ATOM 925 CG2 VAL A 61 -3.271 5.456 6.019 1.00 0.00 C ATOM 0 H VAL A 61 -3.404 5.184 2.660 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.500 6.010 4.566 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.549 6.760 4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.030 8.119 6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.917 8.703 5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.764 7.760 6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.487 5.722 6.728 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.199 5.264 6.558 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.977 4.560 5.473 1.00 0.00 H new ATOM 935 N ASP A 62 -5.938 8.148 3.364 1.00 0.00 N ATOM 936 CA ASP A 62 -6.291 9.322 2.574 1.00 0.00 C ATOM 937 C ASP A 62 -5.771 10.596 3.232 1.00 0.00 C ATOM 938 O ASP A 62 -6.176 10.945 4.341 1.00 0.00 O ATOM 939 CB ASP A 62 -7.807 9.407 2.396 1.00 0.00 C ATOM 940 CG ASP A 62 -8.449 8.042 2.238 1.00 0.00 C ATOM 941 OD1 ASP A 62 -8.495 7.289 3.233 1.00 0.00 O ATOM 942 OD2 ASP A 62 -8.906 7.728 1.119 1.00 0.00 O ATOM 0 H ASP A 62 -6.606 7.919 4.100 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.824 9.224 1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.243 9.913 3.257 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.034 10.015 1.520 1.00 0.00 H new ATOM 947 N VAL A 63 -4.870 11.288 2.541 1.00 0.00 N ATOM 948 CA VAL A 63 -4.294 12.524 3.058 1.00 0.00 C ATOM 949 C VAL A 63 -5.224 13.707 2.815 1.00 0.00 C ATOM 950 O VAL A 63 -4.805 14.864 2.876 1.00 0.00 O ATOM 951 CB VAL A 63 -2.927 12.818 2.414 1.00 0.00 C ATOM 952 CG1 VAL A 63 -1.953 11.681 2.684 1.00 0.00 C ATOM 953 CG2 VAL A 63 -3.082 13.055 0.919 1.00 0.00 C ATOM 0 H VAL A 63 -4.523 11.013 1.622 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.159 12.386 4.131 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.522 13.725 2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.992 11.907 2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.819 11.564 3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.349 10.756 2.265 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.106 13.261 0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.509 12.168 0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.742 13.906 0.752 1.00 0.00 H new ATOM 963 N THR A 64 -6.490 13.411 2.538 1.00 0.00 N ATOM 964 CA THR A 64 -7.480 14.449 2.285 1.00 0.00 C ATOM 965 C THR A 64 -8.651 14.342 3.256 1.00 0.00 C ATOM 966 O THR A 64 -9.327 15.330 3.537 1.00 0.00 O ATOM 967 CB THR A 64 -8.016 14.375 0.843 1.00 0.00 C ATOM 968 OG1 THR A 64 -8.723 13.146 0.645 1.00 0.00 O ATOM 969 CG2 THR A 64 -6.879 14.479 -0.163 1.00 0.00 C ATOM 0 H THR A 64 -6.854 12.460 2.483 1.00 0.00 H new ATOM 0 HA THR A 64 -6.978 15.406 2.430 1.00 0.00 H new ATOM 0 HB THR A 64 -8.695 15.213 0.688 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.062 13.108 -0.274 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.282 14.424 -1.174 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.361 15.429 -0.030 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.179 13.659 -0.007 1.00 0.00 H new ATOM 977 N GLU A 65 -8.883 13.136 3.764 1.00 0.00 N ATOM 978 CA GLU A 65 -9.973 12.901 4.704 1.00 0.00 C ATOM 979 C GLU A 65 -9.435 12.651 6.110 1.00 0.00 C ATOM 980 O GLU A 65 -10.105 12.940 7.101 1.00 0.00 O ATOM 981 CB GLU A 65 -10.819 11.709 4.251 1.00 0.00 C ATOM 982 CG GLU A 65 -11.590 11.963 2.967 1.00 0.00 C ATOM 983 CD GLU A 65 -12.818 12.827 3.185 1.00 0.00 C ATOM 984 OE1 GLU A 65 -12.654 13.996 3.593 1.00 0.00 O ATOM 985 OE2 GLU A 65 -13.940 12.335 2.948 1.00 0.00 O ATOM 0 H GLU A 65 -8.332 12.307 3.541 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.598 13.794 4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.169 10.846 4.110 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.523 11.452 5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.934 12.447 2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.893 11.009 2.535 1.00 0.00 H new ATOM 992 N GLN A 66 -8.222 12.114 6.186 1.00 0.00 N ATOM 993 CA GLN A 66 -7.595 11.824 7.470 1.00 0.00 C ATOM 994 C GLN A 66 -6.411 12.753 7.719 1.00 0.00 C ATOM 995 O GLN A 66 -5.256 12.407 7.469 1.00 0.00 O ATOM 996 CB GLN A 66 -7.134 10.366 7.519 1.00 0.00 C ATOM 997 CG GLN A 66 -8.277 9.365 7.483 1.00 0.00 C ATOM 998 CD GLN A 66 -9.233 9.529 8.648 1.00 0.00 C ATOM 999 OE1 GLN A 66 -8.859 10.034 9.707 1.00 0.00 O ATOM 1000 NE2 GLN A 66 -10.477 9.104 8.457 1.00 0.00 N ATOM 0 H GLN A 66 -7.654 11.871 5.374 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.335 11.990 8.253 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.469 10.176 6.677 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.552 10.208 8.427 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.826 9.480 6.548 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.870 8.354 7.492 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.743 8.692 7.563 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.166 9.190 9.204 1.00 0.00 H new ATOM 1009 N PRO A 67 -6.702 13.961 8.223 1.00 0.00 N ATOM 1010 CA PRO A 67 -5.675 14.965 8.518 1.00 0.00 C ATOM 1011 C PRO A 67 -4.803 14.571 9.705 1.00 0.00 C ATOM 1012 O PRO A 67 -3.644 14.973 9.797 1.00 0.00 O ATOM 1013 CB PRO A 67 -6.488 16.220 8.844 1.00 0.00 C ATOM 1014 CG PRO A 67 -7.804 15.706 9.318 1.00 0.00 C ATOM 1015 CD PRO A 67 -8.057 14.441 8.546 1.00 0.00 C ATOM 0 HA PRO A 67 -4.981 15.094 7.687 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.998 16.821 9.610 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.604 16.856 7.966 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.784 15.511 10.390 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.594 16.436 9.142 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.611 13.713 9.139 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.642 14.630 7.646 1.00 0.00 H new ATOM 1023 N GLY A 68 -5.368 13.781 10.613 1.00 0.00 N ATOM 1024 CA GLY A 68 -4.627 13.345 11.782 1.00 0.00 C ATOM 1025 C GLY A 68 -3.523 12.366 11.437 1.00 0.00 C ATOM 1026 O GLY A 68 -2.351 12.614 11.725 1.00 0.00 O ATOM 0 H GLY A 68 -6.326 13.435 10.560 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.196 14.214 12.280 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.313 12.880 12.490 1.00 0.00 H new ATOM 1030 N LEU A 69 -3.895 11.250 10.821 1.00 0.00 N ATOM 1031 CA LEU A 69 -2.927 10.228 10.438 1.00 0.00 C ATOM 1032 C LEU A 69 -1.761 10.843 9.672 1.00 0.00 C ATOM 1033 O LEU A 69 -0.611 10.765 10.104 1.00 0.00 O ATOM 1034 CB LEU A 69 -3.602 9.152 9.586 1.00 0.00 C ATOM 1035 CG LEU A 69 -4.406 8.098 10.348 1.00 0.00 C ATOM 1036 CD1 LEU A 69 -5.159 7.199 9.380 1.00 0.00 C ATOM 1037 CD2 LEU A 69 -3.491 7.274 11.242 1.00 0.00 C ATOM 0 H LEU A 69 -4.860 11.029 10.576 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.539 9.771 11.348 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.267 9.644 8.876 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.834 8.643 9.004 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.134 8.609 10.978 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.726 6.455 9.940 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.843 7.801 8.781 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.449 6.696 8.724 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.080 6.529 11.777 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.740 6.773 10.631 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.997 7.929 11.959 1.00 0.00 H new ATOM 1049 N SER A 70 -2.066 11.457 8.533 1.00 0.00 N ATOM 1050 CA SER A 70 -1.042 12.084 7.705 1.00 0.00 C ATOM 1051 C SER A 70 -0.082 12.907 8.559 1.00 0.00 C ATOM 1052 O SER A 70 1.118 12.952 8.294 1.00 0.00 O ATOM 1053 CB SER A 70 -1.691 12.975 6.643 1.00 0.00 C ATOM 1054 OG SER A 70 -0.710 13.596 5.830 1.00 0.00 O ATOM 0 H SER A 70 -3.013 11.534 8.163 1.00 0.00 H new ATOM 0 HA SER A 70 -0.475 11.295 7.210 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.358 12.378 6.021 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.302 13.737 7.127 1.00 0.00 H new ATOM 0 HG SER A 70 -1.150 14.158 5.159 1.00 0.00 H new ATOM 1060 N GLY A 71 -0.622 13.558 9.585 1.00 0.00 N ATOM 1061 CA GLY A 71 0.199 14.371 10.462 1.00 0.00 C ATOM 1062 C GLY A 71 0.983 13.539 11.459 1.00 0.00 C ATOM 1063 O GLY A 71 2.057 13.942 11.905 1.00 0.00 O ATOM 0 H GLY A 71 -1.613 13.537 9.824 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.892 14.961 9.862 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.436 15.074 11.000 1.00 0.00 H new ATOM 1067 N ARG A 72 0.443 12.377 11.810 1.00 0.00 N ATOM 1068 CA ARG A 72 1.097 11.488 12.763 1.00 0.00 C ATOM 1069 C ARG A 72 2.064 10.546 12.052 1.00 0.00 C ATOM 1070 O ARG A 72 2.477 9.527 12.607 1.00 0.00 O ATOM 1071 CB ARG A 72 0.055 10.678 13.536 1.00 0.00 C ATOM 1072 CG ARG A 72 -0.861 11.530 14.399 1.00 0.00 C ATOM 1073 CD ARG A 72 -1.495 10.713 15.514 1.00 0.00 C ATOM 1074 NE ARG A 72 -2.584 11.432 16.169 1.00 0.00 N ATOM 1075 CZ ARG A 72 -3.834 11.440 15.721 1.00 0.00 C ATOM 1076 NH1 ARG A 72 -4.152 10.770 14.622 1.00 0.00 N ATOM 1077 NH2 ARG A 72 -4.769 12.119 16.372 1.00 0.00 N ATOM 0 H ARG A 72 -0.445 12.029 11.449 1.00 0.00 H new ATOM 0 HA ARG A 72 1.663 12.101 13.464 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.550 10.111 12.828 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.567 9.954 14.170 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.294 12.355 14.829 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.642 11.969 13.779 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.873 9.776 15.106 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.735 10.456 16.252 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.373 11.957 17.018 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.436 10.247 14.118 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.113 10.778 14.280 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.528 12.636 17.218 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.729 12.124 16.027 1.00 0.00 H new ATOM 1091 N PHE A 73 2.421 10.892 10.819 1.00 0.00 N ATOM 1092 CA PHE A 73 3.338 10.077 10.031 1.00 0.00 C ATOM 1093 C PHE A 73 4.450 10.934 9.432 1.00 0.00 C ATOM 1094 O PHE A 73 5.342 10.425 8.752 1.00 0.00 O ATOM 1095 CB PHE A 73 2.581 9.352 8.917 1.00 0.00 C ATOM 1096 CG PHE A 73 2.070 7.998 9.322 1.00 0.00 C ATOM 1097 CD1 PHE A 73 0.860 7.869 9.983 1.00 0.00 C ATOM 1098 CD2 PHE A 73 2.801 6.855 9.041 1.00 0.00 C ATOM 1099 CE1 PHE A 73 0.388 6.625 10.358 1.00 0.00 C ATOM 1100 CE2 PHE A 73 2.334 5.608 9.412 1.00 0.00 C ATOM 1101 CZ PHE A 73 1.126 5.493 10.071 1.00 0.00 C ATOM 0 H PHE A 73 2.089 11.731 10.344 1.00 0.00 H new ATOM 0 HA PHE A 73 3.789 9.339 10.694 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.740 9.969 8.599 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.239 9.240 8.055 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.278 8.751 10.208 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.747 6.939 8.526 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.556 6.538 10.875 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.913 4.725 9.187 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.759 4.520 10.362 1.00 0.00 H new ATOM 1111 N ILE A 74 4.388 12.236 9.688 1.00 0.00 N ATOM 1112 CA ILE A 74 5.388 13.164 9.174 1.00 0.00 C ATOM 1113 C ILE A 74 5.623 12.949 7.683 1.00 0.00 C ATOM 1114 O ILE A 74 6.755 12.737 7.247 1.00 0.00 O ATOM 1115 CB ILE A 74 6.728 13.016 9.920 1.00 0.00 C ATOM 1116 CG1 ILE A 74 6.496 13.005 11.432 1.00 0.00 C ATOM 1117 CG2 ILE A 74 7.676 14.141 9.532 1.00 0.00 C ATOM 1118 CD1 ILE A 74 6.335 11.616 12.009 1.00 0.00 C ATOM 0 H ILE A 74 3.656 12.672 10.248 1.00 0.00 H new ATOM 0 HA ILE A 74 4.999 14.169 9.336 1.00 0.00 H new ATOM 0 HB ILE A 74 7.184 12.068 9.635 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.334 13.499 11.924 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.604 13.589 11.659 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.618 14.023 10.067 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.861 14.107 8.458 1.00 0.00 H new ATOM 0 HG23 ILE A 74 7.228 15.100 9.792 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.174 11.685 13.085 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.479 11.126 11.545 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.236 11.034 11.814 1.00 0.00 H new ATOM 1130 N ILE A 75 4.546 13.006 6.906 1.00 0.00 N ATOM 1131 CA ILE A 75 4.636 12.820 5.463 1.00 0.00 C ATOM 1132 C ILE A 75 5.178 14.071 4.780 1.00 0.00 C ATOM 1133 O ILE A 75 4.600 15.152 4.892 1.00 0.00 O ATOM 1134 CB ILE A 75 3.265 12.470 4.854 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.681 11.231 5.537 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.393 12.245 3.355 1.00 0.00 C ATOM 1137 CD1 ILE A 75 3.486 9.973 5.296 1.00 0.00 C ATOM 0 H ILE A 75 3.602 13.179 7.251 1.00 0.00 H new ATOM 0 HA ILE A 75 5.322 11.990 5.294 1.00 0.00 H new ATOM 0 HB ILE A 75 2.586 13.307 5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.619 11.413 6.610 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.663 11.075 5.180 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.416 11.999 2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.770 13.152 2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.084 11.423 3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.014 9.135 5.809 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.527 9.767 4.226 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.498 10.110 5.678 1.00 0.00 H new ATOM 1149 N ASN A 76 6.291 13.917 4.071 1.00 0.00 N ATOM 1150 CA ASN A 76 6.911 15.034 3.368 1.00 0.00 C ATOM 1151 C ASN A 76 6.523 15.032 1.893 1.00 0.00 C ATOM 1152 O ASN A 76 6.064 16.042 1.361 1.00 0.00 O ATOM 1153 CB ASN A 76 8.434 14.969 3.506 1.00 0.00 C ATOM 1154 CG ASN A 76 8.894 15.166 4.938 1.00 0.00 C ATOM 1155 OD1 ASN A 76 8.239 15.851 5.723 1.00 0.00 O ATOM 1156 ND2 ASN A 76 10.026 14.564 5.283 1.00 0.00 N ATOM 0 H ASN A 76 6.782 13.029 3.968 1.00 0.00 H new ATOM 0 HA ASN A 76 6.551 15.959 3.819 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.788 14.004 3.143 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.886 15.733 2.874 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.386 14.660 6.233 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.536 14.006 4.598 1.00 0.00 H new ATOM 1163 N ALA A 77 6.709 13.891 1.239 1.00 0.00 N ATOM 1164 CA ALA A 77 6.375 13.756 -0.173 1.00 0.00 C ATOM 1165 C ALA A 77 5.441 12.574 -0.407 1.00 0.00 C ATOM 1166 O ALA A 77 5.232 11.749 0.484 1.00 0.00 O ATOM 1167 CB ALA A 77 7.642 13.601 -1.002 1.00 0.00 C ATOM 0 H ALA A 77 7.090 13.046 1.665 1.00 0.00 H new ATOM 0 HA ALA A 77 5.856 14.662 -0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.378 13.501 -2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.274 14.479 -0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.183 12.712 -0.678 1.00 0.00 H new ATOM 1173 N LEU A 78 4.880 12.497 -1.608 1.00 0.00 N ATOM 1174 CA LEU A 78 3.966 11.416 -1.959 1.00 0.00 C ATOM 1175 C LEU A 78 4.144 11.003 -3.416 1.00 0.00 C ATOM 1176 O LEU A 78 4.561 11.792 -4.264 1.00 0.00 O ATOM 1177 CB LEU A 78 2.518 11.844 -1.711 1.00 0.00 C ATOM 1178 CG LEU A 78 2.129 12.083 -0.252 1.00 0.00 C ATOM 1179 CD1 LEU A 78 0.945 13.033 -0.164 1.00 0.00 C ATOM 1180 CD2 LEU A 78 1.809 10.764 0.437 1.00 0.00 C ATOM 0 H LEU A 78 5.042 13.171 -2.356 1.00 0.00 H new ATOM 0 HA LEU A 78 4.198 10.559 -1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.330 12.760 -2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.859 11.079 -2.121 1.00 0.00 H new ATOM 0 HG LEU A 78 2.975 12.542 0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.682 13.191 0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.209 13.987 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.093 12.603 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.534 10.953 1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.979 10.278 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.685 10.115 0.406 1.00 0.00 H new ATOM 1192 N PRO A 79 3.819 9.737 -3.717 1.00 0.00 N ATOM 1193 CA PRO A 79 3.323 8.788 -2.716 1.00 0.00 C ATOM 1194 C PRO A 79 4.402 8.378 -1.720 1.00 0.00 C ATOM 1195 O PRO A 79 5.581 8.683 -1.905 1.00 0.00 O ATOM 1196 CB PRO A 79 2.884 7.585 -3.554 1.00 0.00 C ATOM 1197 CG PRO A 79 3.706 7.668 -4.794 1.00 0.00 C ATOM 1198 CD PRO A 79 3.912 9.134 -5.057 1.00 0.00 C ATOM 0 HA PRO A 79 2.525 9.216 -2.109 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.059 6.648 -3.025 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.819 7.628 -3.781 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.660 7.157 -4.665 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.199 7.189 -5.631 1.00 0.00 H new ATOM 0 HD2 PRO A 79 4.880 9.327 -5.518 1.00 0.00 H new ATOM 0 HD3 PRO A 79 3.153 9.532 -5.730 1.00 0.00 H new ATOM 1206 N THR A 80 3.993 7.684 -0.663 1.00 0.00 N ATOM 1207 CA THR A 80 4.925 7.232 0.363 1.00 0.00 C ATOM 1208 C THR A 80 4.396 5.996 1.081 1.00 0.00 C ATOM 1209 O THR A 80 3.426 6.073 1.836 1.00 0.00 O ATOM 1210 CB THR A 80 5.197 8.338 1.401 1.00 0.00 C ATOM 1211 OG1 THR A 80 5.980 9.381 0.811 1.00 0.00 O ATOM 1212 CG2 THR A 80 5.923 7.775 2.613 1.00 0.00 C ATOM 0 H THR A 80 3.022 7.422 -0.495 1.00 0.00 H new ATOM 0 HA THR A 80 5.857 6.983 -0.144 1.00 0.00 H new ATOM 0 HB THR A 80 4.239 8.744 1.727 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.396 10.128 0.563 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.104 8.574 3.332 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.311 7.001 3.077 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.875 7.346 2.300 1.00 0.00 H new ATOM 1220 N ILE A 81 5.039 4.858 0.842 1.00 0.00 N ATOM 1221 CA ILE A 81 4.633 3.606 1.469 1.00 0.00 C ATOM 1222 C ILE A 81 5.389 3.374 2.773 1.00 0.00 C ATOM 1223 O ILE A 81 6.583 3.659 2.870 1.00 0.00 O ATOM 1224 CB ILE A 81 4.868 2.406 0.532 1.00 0.00 C ATOM 1225 CG1 ILE A 81 3.862 2.428 -0.621 1.00 0.00 C ATOM 1226 CG2 ILE A 81 4.765 1.101 1.307 1.00 0.00 C ATOM 1227 CD1 ILE A 81 4.359 1.734 -1.870 1.00 0.00 C ATOM 0 H ILE A 81 5.843 4.777 0.219 1.00 0.00 H new ATOM 0 HA ILE A 81 3.567 3.689 1.680 1.00 0.00 H new ATOM 0 HB ILE A 81 5.872 2.480 0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.937 1.953 -0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.620 3.463 -0.862 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.933 0.262 0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.516 1.087 2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.772 1.017 1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.595 1.789 -2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.267 2.223 -2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.573 0.689 -1.645 1.00 0.00 H new ATOM 1239 N TYR A 82 4.686 2.853 3.772 1.00 0.00 N ATOM 1240 CA TYR A 82 5.289 2.582 5.072 1.00 0.00 C ATOM 1241 C TYR A 82 4.978 1.162 5.532 1.00 0.00 C ATOM 1242 O TYR A 82 3.827 0.724 5.499 1.00 0.00 O ATOM 1243 CB TYR A 82 4.789 3.588 6.110 1.00 0.00 C ATOM 1244 CG TYR A 82 5.645 4.830 6.211 1.00 0.00 C ATOM 1245 CD1 TYR A 82 6.908 4.783 6.788 1.00 0.00 C ATOM 1246 CD2 TYR A 82 5.190 6.052 5.730 1.00 0.00 C ATOM 1247 CE1 TYR A 82 7.693 5.916 6.883 1.00 0.00 C ATOM 1248 CE2 TYR A 82 5.969 7.190 5.820 1.00 0.00 C ATOM 1249 CZ TYR A 82 7.219 7.116 6.398 1.00 0.00 C ATOM 1250 OH TYR A 82 7.998 8.247 6.490 1.00 0.00 O ATOM 0 H TYR A 82 3.698 2.610 3.707 1.00 0.00 H new ATOM 0 HA TYR A 82 6.370 2.682 4.970 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.769 3.879 5.859 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.751 3.103 7.085 1.00 0.00 H new ATOM 0 HD1 TYR A 82 7.283 3.844 7.169 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.211 6.113 5.278 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.672 5.862 7.335 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.601 8.132 5.440 1.00 0.00 H new ATOM 0 HH TYR A 82 7.518 9.007 6.101 1.00 0.00 H new ATOM 1260 N HIS A 83 6.012 0.446 5.961 1.00 0.00 N ATOM 1261 CA HIS A 83 5.850 -0.926 6.430 1.00 0.00 C ATOM 1262 C HIS A 83 5.739 -0.971 7.951 1.00 0.00 C ATOM 1263 O HIS A 83 6.688 -0.636 8.662 1.00 0.00 O ATOM 1264 CB HIS A 83 7.025 -1.788 5.967 1.00 0.00 C ATOM 1265 CG HIS A 83 6.889 -3.234 6.334 1.00 0.00 C ATOM 1266 ND1 HIS A 83 7.646 -3.835 7.316 1.00 0.00 N ATOM 1267 CD2 HIS A 83 6.075 -4.198 5.844 1.00 0.00 C ATOM 1268 CE1 HIS A 83 7.306 -5.108 7.414 1.00 0.00 C ATOM 1269 NE2 HIS A 83 6.354 -5.354 6.532 1.00 0.00 N ATOM 0 H HIS A 83 6.971 0.793 5.994 1.00 0.00 H new ATOM 0 HA HIS A 83 4.928 -1.323 6.004 1.00 0.00 H new ATOM 0 HB2 HIS A 83 7.122 -1.704 4.885 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.945 -1.397 6.401 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.343 -4.080 5.059 1.00 0.00 H new ATOM 0 HE1 HIS A 83 7.734 -5.825 8.099 1.00 0.00 H new ATOM 0 HE2 HIS A 83 5.900 -6.256 6.386 1.00 0.00 H new ATOM 1278 N CYS A 84 4.577 -1.386 8.443 1.00 0.00 N ATOM 1279 CA CYS A 84 4.343 -1.473 9.880 1.00 0.00 C ATOM 1280 C CYS A 84 4.322 -2.927 10.340 1.00 0.00 C ATOM 1281 O CYS A 84 3.337 -3.639 10.142 1.00 0.00 O ATOM 1282 CB CYS A 84 3.023 -0.792 10.244 1.00 0.00 C ATOM 1283 SG CYS A 84 2.856 -0.396 12.000 1.00 0.00 S ATOM 0 H CYS A 84 3.783 -1.667 7.868 1.00 0.00 H new ATOM 0 HA CYS A 84 5.160 -0.962 10.388 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.929 0.127 9.665 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.198 -1.441 9.949 1.00 0.00 H new ATOM 0 HG CYS A 84 3.006 0.884 12.172 1.00 0.00 H new ATOM 1289 N LYS A 85 5.417 -3.363 10.955 1.00 0.00 N ATOM 1290 CA LYS A 85 5.527 -4.732 11.444 1.00 0.00 C ATOM 1291 C LYS A 85 5.937 -4.754 12.913 1.00 0.00 C ATOM 1292 O LYS A 85 6.996 -4.244 13.279 1.00 0.00 O ATOM 1293 CB LYS A 85 6.543 -5.514 10.608 1.00 0.00 C ATOM 1294 CG LYS A 85 6.567 -7.001 10.915 1.00 0.00 C ATOM 1295 CD LYS A 85 7.948 -7.594 10.692 1.00 0.00 C ATOM 1296 CE LYS A 85 7.891 -9.110 10.575 1.00 0.00 C ATOM 1297 NZ LYS A 85 9.141 -9.752 11.070 1.00 0.00 N ATOM 0 H LYS A 85 6.241 -2.787 11.126 1.00 0.00 H new ATOM 0 HA LYS A 85 4.549 -5.204 11.351 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.316 -5.373 9.551 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.537 -5.100 10.779 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.262 -7.165 11.949 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.843 -7.516 10.284 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.383 -7.174 9.785 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.602 -7.316 11.518 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.040 -9.486 11.143 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.728 -9.388 9.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.958 -10.754 11.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.880 -9.679 10.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.459 -9.271 11.936 1.00 0.00 H new ATOM 1311 N ASP A 86 5.093 -5.349 13.749 1.00 0.00 N ATOM 1312 CA ASP A 86 5.369 -5.439 15.178 1.00 0.00 C ATOM 1313 C ASP A 86 5.539 -4.051 15.787 1.00 0.00 C ATOM 1314 O ASP A 86 6.293 -3.870 16.743 1.00 0.00 O ATOM 1315 CB ASP A 86 6.626 -6.276 15.424 1.00 0.00 C ATOM 1316 CG ASP A 86 6.585 -7.005 16.752 1.00 0.00 C ATOM 1317 OD1 ASP A 86 6.818 -6.356 17.793 1.00 0.00 O ATOM 1318 OD2 ASP A 86 6.320 -8.226 16.750 1.00 0.00 O ATOM 0 H ASP A 86 4.212 -5.776 13.462 1.00 0.00 H new ATOM 0 HA ASP A 86 4.519 -5.924 15.658 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.740 -7.001 14.618 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.502 -5.628 15.395 1.00 0.00 H new ATOM 1323 N GLY A 87 4.834 -3.073 15.227 1.00 0.00 N ATOM 1324 CA GLY A 87 4.922 -1.714 15.727 1.00 0.00 C ATOM 1325 C GLY A 87 6.175 -1.003 15.256 1.00 0.00 C ATOM 1326 O GLY A 87 6.633 -0.054 15.892 1.00 0.00 O ATOM 0 H GLY A 87 4.203 -3.198 14.435 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.046 -1.153 15.402 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.904 -1.729 16.817 1.00 0.00 H new ATOM 1330 N GLU A 88 6.731 -1.463 14.140 1.00 0.00 N ATOM 1331 CA GLU A 88 7.940 -0.865 13.586 1.00 0.00 C ATOM 1332 C GLU A 88 7.679 -0.302 12.192 1.00 0.00 C ATOM 1333 O GLU A 88 7.345 -1.041 11.265 1.00 0.00 O ATOM 1334 CB GLU A 88 9.067 -1.898 13.529 1.00 0.00 C ATOM 1335 CG GLU A 88 9.625 -2.266 14.894 1.00 0.00 C ATOM 1336 CD GLU A 88 10.979 -2.943 14.807 1.00 0.00 C ATOM 1337 OE1 GLU A 88 11.023 -4.140 14.455 1.00 0.00 O ATOM 1338 OE2 GLU A 88 11.995 -2.274 15.090 1.00 0.00 O ATOM 0 H GLU A 88 6.364 -2.248 13.602 1.00 0.00 H new ATOM 0 HA GLU A 88 8.241 -0.046 14.239 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.697 -2.800 13.042 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.874 -1.509 12.909 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.712 -1.365 15.502 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.924 -2.928 15.403 1.00 0.00 H new ATOM 1345 N PHE A 89 7.834 1.010 12.051 1.00 0.00 N ATOM 1346 CA PHE A 89 7.614 1.673 10.771 1.00 0.00 C ATOM 1347 C PHE A 89 8.905 1.726 9.958 1.00 0.00 C ATOM 1348 O PHE A 89 9.997 1.844 10.513 1.00 0.00 O ATOM 1349 CB PHE A 89 7.078 3.089 10.991 1.00 0.00 C ATOM 1350 CG PHE A 89 5.732 3.123 11.657 1.00 0.00 C ATOM 1351 CD1 PHE A 89 5.624 3.041 13.036 1.00 0.00 C ATOM 1352 CD2 PHE A 89 4.575 3.239 10.904 1.00 0.00 C ATOM 1353 CE1 PHE A 89 4.387 3.071 13.650 1.00 0.00 C ATOM 1354 CE2 PHE A 89 3.335 3.271 11.513 1.00 0.00 C ATOM 1355 CZ PHE A 89 3.241 3.188 12.888 1.00 0.00 C ATOM 0 H PHE A 89 8.111 1.635 12.808 1.00 0.00 H new ATOM 0 HA PHE A 89 6.877 1.096 10.213 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.790 3.648 11.599 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.012 3.597 10.029 1.00 0.00 H new ATOM 0 HD1 PHE A 89 6.517 2.953 13.637 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.643 3.305 9.828 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.316 3.003 14.726 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.441 3.361 10.914 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.273 3.215 13.367 1.00 0.00 H new ATOM 1365 N ARG A 90 8.769 1.638 8.638 1.00 0.00 N ATOM 1366 CA ARG A 90 9.923 1.674 7.748 1.00 0.00 C ATOM 1367 C ARG A 90 9.569 2.348 6.426 1.00 0.00 C ATOM 1368 O ARG A 90 8.588 1.985 5.776 1.00 0.00 O ATOM 1369 CB ARG A 90 10.439 0.257 7.489 1.00 0.00 C ATOM 1370 CG ARG A 90 11.021 -0.414 8.721 1.00 0.00 C ATOM 1371 CD ARG A 90 12.069 -1.452 8.348 1.00 0.00 C ATOM 1372 NE ARG A 90 12.875 -1.854 9.498 1.00 0.00 N ATOM 1373 CZ ARG A 90 12.404 -2.571 10.511 1.00 0.00 C ATOM 1374 NH1 ARG A 90 11.137 -2.964 10.517 1.00 0.00 N ATOM 1375 NH2 ARG A 90 13.200 -2.897 11.522 1.00 0.00 N ATOM 0 H ARG A 90 7.872 1.541 8.162 1.00 0.00 H new ATOM 0 HA ARG A 90 10.707 2.255 8.234 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.622 -0.354 7.105 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.202 0.294 6.711 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.468 0.339 9.370 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.222 -0.890 9.289 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.577 -2.328 7.926 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.720 -1.048 7.573 1.00 0.00 H new ATOM 0 HE ARG A 90 13.854 -1.568 9.524 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.522 -2.715 9.742 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.778 -3.515 11.297 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.175 -2.597 11.521 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.837 -3.448 12.300 1.00 0.00 H new ATOM 1389 N ARG A 91 10.373 3.331 6.034 1.00 0.00 N ATOM 1390 CA ARG A 91 10.143 4.056 4.791 1.00 0.00 C ATOM 1391 C ARG A 91 10.489 3.189 3.583 1.00 0.00 C ATOM 1392 O ARG A 91 11.640 2.793 3.400 1.00 0.00 O ATOM 1393 CB ARG A 91 10.974 5.341 4.764 1.00 0.00 C ATOM 1394 CG ARG A 91 10.798 6.153 3.491 1.00 0.00 C ATOM 1395 CD ARG A 91 11.306 7.576 3.664 1.00 0.00 C ATOM 1396 NE ARG A 91 12.743 7.616 3.925 1.00 0.00 N ATOM 1397 CZ ARG A 91 13.502 8.682 3.694 1.00 0.00 C ATOM 1398 NH1 ARG A 91 12.964 9.789 3.200 1.00 0.00 N ATOM 1399 NH2 ARG A 91 14.802 8.642 3.958 1.00 0.00 N ATOM 0 H ARG A 91 11.189 3.643 6.560 1.00 0.00 H new ATOM 0 HA ARG A 91 9.085 4.314 4.741 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.701 5.959 5.620 1.00 0.00 H new ATOM 0 HB3 ARG A 91 12.027 5.085 4.879 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.334 5.671 2.673 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.744 6.173 3.213 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.085 8.152 2.765 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.775 8.053 4.487 1.00 0.00 H new ATOM 0 HE ARG A 91 13.188 6.780 4.305 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.965 9.824 2.996 1.00 0.00 H new ATOM 0 HH12 ARG A 91 13.549 10.606 3.024 1.00 0.00 H new ATOM 0 HH21 ARG A 91 15.219 7.793 4.338 1.00 0.00 H new ATOM 0 HH22 ARG A 91 15.384 9.461 3.780 1.00 0.00 H new ATOM 1413 N TYR A 92 9.485 2.899 2.764 1.00 0.00 N ATOM 1414 CA TYR A 92 9.681 2.077 1.576 1.00 0.00 C ATOM 1415 C TYR A 92 10.582 2.783 0.568 1.00 0.00 C ATOM 1416 O TYR A 92 10.195 3.786 -0.030 1.00 0.00 O ATOM 1417 CB TYR A 92 8.335 1.747 0.930 1.00 0.00 C ATOM 1418 CG TYR A 92 8.404 0.615 -0.071 1.00 0.00 C ATOM 1419 CD1 TYR A 92 8.683 0.861 -1.409 1.00 0.00 C ATOM 1420 CD2 TYR A 92 8.190 -0.700 0.323 1.00 0.00 C ATOM 1421 CE1 TYR A 92 8.747 -0.169 -2.327 1.00 0.00 C ATOM 1422 CE2 TYR A 92 8.253 -1.737 -0.588 1.00 0.00 C ATOM 1423 CZ TYR A 92 8.532 -1.467 -1.911 1.00 0.00 C ATOM 1424 OH TYR A 92 8.594 -2.497 -2.822 1.00 0.00 O ATOM 0 H TYR A 92 8.527 3.221 2.901 1.00 0.00 H new ATOM 0 HA TYR A 92 10.166 1.150 1.883 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.621 1.487 1.711 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.952 2.638 0.432 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.853 1.876 -1.738 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.971 -0.915 1.358 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.964 0.040 -3.364 1.00 0.00 H new ATOM 0 HE2 TYR A 92 8.085 -2.754 -0.265 1.00 0.00 H new ATOM 0 HH TYR A 92 9.531 -2.681 -3.044 1.00 0.00 H new ATOM 1434 N GLN A 93 11.786 2.250 0.385 1.00 0.00 N ATOM 1435 CA GLN A 93 12.743 2.828 -0.551 1.00 0.00 C ATOM 1436 C GLN A 93 12.904 1.943 -1.782 1.00 0.00 C ATOM 1437 O GLN A 93 13.868 1.187 -1.894 1.00 0.00 O ATOM 1438 CB GLN A 93 14.099 3.026 0.131 1.00 0.00 C ATOM 1439 CG GLN A 93 14.207 4.331 0.902 1.00 0.00 C ATOM 1440 CD GLN A 93 15.633 4.837 0.996 1.00 0.00 C ATOM 1441 OE1 GLN A 93 16.245 5.195 -0.011 1.00 0.00 O ATOM 1442 NE2 GLN A 93 16.171 4.869 2.210 1.00 0.00 N ATOM 0 H GLN A 93 12.122 1.419 0.872 1.00 0.00 H new ATOM 0 HA GLN A 93 12.360 3.797 -0.871 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.278 2.195 0.813 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.884 2.994 -0.624 1.00 0.00 H new ATOM 0 HG2 GLN A 93 13.589 5.087 0.418 1.00 0.00 H new ATOM 0 HG3 GLN A 93 13.809 4.189 1.907 1.00 0.00 H new ATOM 0 HE21 GLN A 93 15.627 4.563 3.017 1.00 0.00 H new ATOM 0 HE22 GLN A 93 17.128 5.200 2.335 1.00 0.00 H new ATOM 1451 N GLY A 94 11.952 2.042 -2.705 1.00 0.00 N ATOM 1452 CA GLY A 94 12.007 1.245 -3.916 1.00 0.00 C ATOM 1453 C GLY A 94 11.152 1.819 -5.028 1.00 0.00 C ATOM 1454 O GLY A 94 10.508 2.857 -4.872 1.00 0.00 O ATOM 0 H GLY A 94 11.144 2.660 -2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 94 13.041 1.176 -4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 94 11.676 0.230 -3.695 1.00 0.00 H new ATOM 1458 N PRO A 95 11.141 1.138 -6.183 1.00 0.00 N ATOM 1459 CA PRO A 95 10.364 1.570 -7.349 1.00 0.00 C ATOM 1460 C PRO A 95 8.862 1.420 -7.133 1.00 0.00 C ATOM 1461 O PRO A 95 8.065 1.714 -8.023 1.00 0.00 O ATOM 1462 CB PRO A 95 10.841 0.631 -8.460 1.00 0.00 C ATOM 1463 CG PRO A 95 11.319 -0.587 -7.748 1.00 0.00 C ATOM 1464 CD PRO A 95 11.885 -0.106 -6.440 1.00 0.00 C ATOM 0 HA PRO A 95 10.515 2.627 -7.571 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.033 0.394 -9.152 1.00 0.00 H new ATOM 0 HB3 PRO A 95 11.639 1.085 -9.047 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.502 -1.290 -7.585 1.00 0.00 H new ATOM 0 HG3 PRO A 95 12.076 -1.109 -8.333 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.735 -0.836 -5.644 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.958 0.074 -6.508 1.00 0.00 H new ATOM 1472 N ARG A 96 8.483 0.960 -5.945 1.00 0.00 N ATOM 1473 CA ARG A 96 7.076 0.771 -5.612 1.00 0.00 C ATOM 1474 C ARG A 96 6.337 0.076 -6.752 1.00 0.00 C ATOM 1475 O ARG A 96 5.290 0.541 -7.203 1.00 0.00 O ATOM 1476 CB ARG A 96 6.417 2.117 -5.307 1.00 0.00 C ATOM 1477 CG ARG A 96 6.439 3.085 -6.479 1.00 0.00 C ATOM 1478 CD ARG A 96 5.501 4.260 -6.248 1.00 0.00 C ATOM 1479 NE ARG A 96 5.762 5.358 -7.175 1.00 0.00 N ATOM 1480 CZ ARG A 96 6.716 6.264 -6.991 1.00 0.00 C ATOM 1481 NH1 ARG A 96 7.496 6.202 -5.921 1.00 0.00 N ATOM 1482 NH2 ARG A 96 6.892 7.234 -7.879 1.00 0.00 N ATOM 0 H ARG A 96 9.131 0.711 -5.197 1.00 0.00 H new ATOM 0 HA ARG A 96 7.019 0.138 -4.726 1.00 0.00 H new ATOM 0 HB2 ARG A 96 5.383 1.946 -5.007 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.924 2.576 -4.458 1.00 0.00 H new ATOM 0 HG2 ARG A 96 7.454 3.452 -6.630 1.00 0.00 H new ATOM 0 HG3 ARG A 96 6.151 2.561 -7.390 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.469 3.928 -6.361 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.611 4.616 -5.224 1.00 0.00 H new ATOM 0 HE ARG A 96 5.180 5.433 -8.009 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.364 5.457 -5.236 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.228 6.899 -5.782 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.294 7.285 -8.704 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.625 7.929 -7.737 1.00 0.00 H new ATOM 1496 N THR A 97 6.890 -1.041 -7.215 1.00 0.00 N ATOM 1497 CA THR A 97 6.284 -1.799 -8.303 1.00 0.00 C ATOM 1498 C THR A 97 5.750 -3.138 -7.809 1.00 0.00 C ATOM 1499 O THR A 97 6.292 -3.729 -6.875 1.00 0.00 O ATOM 1500 CB THR A 97 7.291 -2.049 -9.442 1.00 0.00 C ATOM 1501 OG1 THR A 97 8.485 -2.641 -8.918 1.00 0.00 O ATOM 1502 CG2 THR A 97 7.635 -0.751 -10.156 1.00 0.00 C ATOM 0 H THR A 97 7.756 -1.441 -6.854 1.00 0.00 H new ATOM 0 HA THR A 97 5.457 -1.200 -8.684 1.00 0.00 H new ATOM 0 HB THR A 97 6.832 -2.729 -10.160 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.120 -2.799 -9.648 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.347 -0.953 -10.956 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.729 -0.317 -10.579 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.076 -0.051 -9.446 1.00 0.00 H new ATOM 1510 N LYS A 98 4.683 -3.614 -8.443 1.00 0.00 N ATOM 1511 CA LYS A 98 4.075 -4.886 -8.070 1.00 0.00 C ATOM 1512 C LYS A 98 5.141 -5.906 -7.683 1.00 0.00 C ATOM 1513 O LYS A 98 5.161 -6.402 -6.556 1.00 0.00 O ATOM 1514 CB LYS A 98 3.230 -5.429 -9.224 1.00 0.00 C ATOM 1515 CG LYS A 98 2.088 -6.323 -8.774 1.00 0.00 C ATOM 1516 CD LYS A 98 1.565 -7.178 -9.916 1.00 0.00 C ATOM 1517 CE LYS A 98 2.299 -8.507 -9.998 1.00 0.00 C ATOM 1518 NZ LYS A 98 1.991 -9.233 -11.261 1.00 0.00 N ATOM 0 H LYS A 98 4.221 -3.138 -9.218 1.00 0.00 H new ATOM 0 HA LYS A 98 3.432 -4.713 -7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.823 -4.591 -9.790 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.874 -5.990 -9.902 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.427 -6.967 -7.962 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.279 -5.709 -8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.499 -7.358 -9.779 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.679 -6.640 -10.857 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.373 -8.334 -9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.023 -9.128 -9.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.510 -10.134 -11.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.969 -9.421 -11.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.278 -8.652 -12.074 1.00 0.00 H new ATOM 1532 N LYS A 99 6.028 -6.214 -8.623 1.00 0.00 N ATOM 1533 CA LYS A 99 7.099 -7.172 -8.381 1.00 0.00 C ATOM 1534 C LYS A 99 7.890 -6.800 -7.131 1.00 0.00 C ATOM 1535 O LYS A 99 7.912 -7.547 -6.153 1.00 0.00 O ATOM 1536 CB LYS A 99 8.036 -7.238 -9.589 1.00 0.00 C ATOM 1537 CG LYS A 99 9.340 -7.964 -9.309 1.00 0.00 C ATOM 1538 CD LYS A 99 10.434 -7.539 -10.274 1.00 0.00 C ATOM 1539 CE LYS A 99 11.803 -7.566 -9.612 1.00 0.00 C ATOM 1540 NZ LYS A 99 12.904 -7.591 -10.615 1.00 0.00 N ATOM 0 H LYS A 99 6.026 -5.813 -9.561 1.00 0.00 H new ATOM 0 HA LYS A 99 6.647 -8.152 -8.226 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.521 -7.737 -10.410 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.259 -6.224 -9.921 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.657 -7.762 -8.286 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.182 -9.040 -9.387 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.434 -8.201 -11.140 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.226 -6.534 -10.641 1.00 0.00 H new ATOM 0 HE2 LYS A 99 11.914 -6.691 -8.972 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.878 -8.443 -8.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 13.821 -7.609 -10.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 12.813 -8.440 -11.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 12.848 -6.742 -11.213 1.00 0.00 H new ATOM 1554 N ASP A 100 8.537 -5.640 -7.169 1.00 0.00 N ATOM 1555 CA ASP A 100 9.327 -5.167 -6.038 1.00 0.00 C ATOM 1556 C ASP A 100 8.652 -5.523 -4.717 1.00 0.00 C ATOM 1557 O ASP A 100 9.234 -6.206 -3.875 1.00 0.00 O ATOM 1558 CB ASP A 100 9.532 -3.654 -6.129 1.00 0.00 C ATOM 1559 CG ASP A 100 10.744 -3.187 -5.348 1.00 0.00 C ATOM 1560 OD1 ASP A 100 11.877 -3.523 -5.753 1.00 0.00 O ATOM 1561 OD2 ASP A 100 10.560 -2.484 -4.333 1.00 0.00 O ATOM 0 H ASP A 100 8.530 -5.010 -7.971 1.00 0.00 H new ATOM 0 HA ASP A 100 10.298 -5.660 -6.073 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.645 -3.368 -7.175 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.643 -3.146 -5.753 1.00 0.00 H new ATOM 1566 N PHE A 101 7.421 -5.054 -4.543 1.00 0.00 N ATOM 1567 CA PHE A 101 6.667 -5.320 -3.323 1.00 0.00 C ATOM 1568 C PHE A 101 6.896 -6.751 -2.844 1.00 0.00 C ATOM 1569 O PHE A 101 7.466 -6.975 -1.776 1.00 0.00 O ATOM 1570 CB PHE A 101 5.174 -5.082 -3.559 1.00 0.00 C ATOM 1571 CG PHE A 101 4.822 -3.636 -3.762 1.00 0.00 C ATOM 1572 CD1 PHE A 101 5.398 -2.653 -2.974 1.00 0.00 C ATOM 1573 CD2 PHE A 101 3.916 -3.260 -4.741 1.00 0.00 C ATOM 1574 CE1 PHE A 101 5.075 -1.321 -3.158 1.00 0.00 C ATOM 1575 CE2 PHE A 101 3.590 -1.931 -4.930 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.171 -0.960 -4.138 1.00 0.00 C ATOM 0 H PHE A 101 6.924 -4.488 -5.231 1.00 0.00 H new ATOM 0 HA PHE A 101 7.019 -4.636 -2.551 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.857 -5.651 -4.433 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.614 -5.468 -2.707 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.107 -2.930 -2.208 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.459 -4.015 -5.364 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.529 -0.564 -2.536 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.882 -1.652 -5.696 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.919 0.080 -4.285 1.00 0.00 H new ATOM 1586 N ILE A 102 6.447 -7.714 -3.641 1.00 0.00 N ATOM 1587 CA ILE A 102 6.603 -9.123 -3.299 1.00 0.00 C ATOM 1588 C ILE A 102 7.894 -9.360 -2.524 1.00 0.00 C ATOM 1589 O ILE A 102 7.868 -9.627 -1.323 1.00 0.00 O ATOM 1590 CB ILE A 102 6.602 -10.011 -4.558 1.00 0.00 C ATOM 1591 CG1 ILE A 102 5.209 -10.036 -5.190 1.00 0.00 C ATOM 1592 CG2 ILE A 102 7.058 -11.420 -4.211 1.00 0.00 C ATOM 1593 CD1 ILE A 102 5.033 -9.029 -6.305 1.00 0.00 C ATOM 0 H ILE A 102 5.972 -7.545 -4.528 1.00 0.00 H new ATOM 0 HA ILE A 102 5.752 -9.393 -2.674 1.00 0.00 H new ATOM 0 HB ILE A 102 7.301 -9.592 -5.282 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.014 -11.035 -5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.465 -9.844 -4.417 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.052 -12.036 -5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.068 -11.385 -3.801 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.381 -11.850 -3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.022 -9.103 -6.706 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.196 -8.024 -5.917 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.754 -9.233 -7.097 1.00 0.00 H new ATOM 1605 N ASN A 103 9.022 -9.259 -3.219 1.00 0.00 N ATOM 1606 CA ASN A 103 10.325 -9.462 -2.595 1.00 0.00 C ATOM 1607 C ASN A 103 10.399 -8.751 -1.247 1.00 0.00 C ATOM 1608 O ASN A 103 10.720 -9.363 -0.228 1.00 0.00 O ATOM 1609 CB ASN A 103 11.438 -8.954 -3.514 1.00 0.00 C ATOM 1610 CG ASN A 103 11.100 -9.128 -4.982 1.00 0.00 C ATOM 1611 OD1 ASN A 103 10.845 -10.241 -5.444 1.00 0.00 O ATOM 1612 ND2 ASN A 103 11.098 -8.027 -5.723 1.00 0.00 N ATOM 0 H ASN A 103 9.061 -9.038 -4.214 1.00 0.00 H new ATOM 0 HA ASN A 103 10.459 -10.531 -2.430 1.00 0.00 H new ATOM 0 HB2 ASN A 103 11.622 -7.899 -3.309 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.362 -9.488 -3.291 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.879 -8.082 -6.718 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.315 -7.126 -5.298 1.00 0.00 H new ATOM 1619 N PHE A 104 10.099 -7.457 -1.250 1.00 0.00 N ATOM 1620 CA PHE A 104 10.132 -6.662 -0.027 1.00 0.00 C ATOM 1621 C PHE A 104 9.414 -7.383 1.110 1.00 0.00 C ATOM 1622 O PHE A 104 9.786 -7.250 2.276 1.00 0.00 O ATOM 1623 CB PHE A 104 9.488 -5.294 -0.266 1.00 0.00 C ATOM 1624 CG PHE A 104 9.535 -4.393 0.934 1.00 0.00 C ATOM 1625 CD1 PHE A 104 10.725 -3.802 1.329 1.00 0.00 C ATOM 1626 CD2 PHE A 104 8.388 -4.136 1.669 1.00 0.00 C ATOM 1627 CE1 PHE A 104 10.771 -2.972 2.432 1.00 0.00 C ATOM 1628 CE2 PHE A 104 8.428 -3.306 2.773 1.00 0.00 C ATOM 1629 CZ PHE A 104 9.621 -2.724 3.156 1.00 0.00 C ATOM 0 H PHE A 104 9.830 -6.936 -2.085 1.00 0.00 H new ATOM 0 HA PHE A 104 11.175 -6.521 0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.993 -4.804 -1.099 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.449 -5.437 -0.563 1.00 0.00 H new ATOM 0 HD1 PHE A 104 11.627 -3.993 0.767 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.453 -4.590 1.375 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.705 -2.517 2.728 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.527 -3.112 3.336 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.654 -2.076 4.020 1.00 0.00 H new ATOM 1639 N ILE A 105 8.383 -8.145 0.761 1.00 0.00 N ATOM 1640 CA ILE A 105 7.613 -8.888 1.751 1.00 0.00 C ATOM 1641 C ILE A 105 8.201 -10.277 1.976 1.00 0.00 C ATOM 1642 O ILE A 105 8.641 -10.605 3.078 1.00 0.00 O ATOM 1643 CB ILE A 105 6.139 -9.029 1.328 1.00 0.00 C ATOM 1644 CG1 ILE A 105 5.497 -7.649 1.168 1.00 0.00 C ATOM 1645 CG2 ILE A 105 5.373 -9.860 2.346 1.00 0.00 C ATOM 1646 CD1 ILE A 105 5.397 -6.875 2.464 1.00 0.00 C ATOM 0 H ILE A 105 8.062 -8.264 -0.200 1.00 0.00 H new ATOM 0 HA ILE A 105 7.663 -8.320 2.680 1.00 0.00 H new ATOM 0 HB ILE A 105 6.100 -9.541 0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.077 -7.068 0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.498 -7.768 0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.333 -9.951 2.033 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.819 -10.852 2.415 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.418 -9.373 3.320 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.932 -5.907 2.275 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.792 -7.435 3.177 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.395 -6.724 2.876 1.00 0.00 H new ATOM 1658 N SER A 106 8.206 -11.088 0.924 1.00 0.00 N ATOM 1659 CA SER A 106 8.738 -12.444 1.006 1.00 0.00 C ATOM 1660 C SER A 106 10.162 -12.436 1.555 1.00 0.00 C ATOM 1661 O SER A 106 10.461 -13.104 2.545 1.00 0.00 O ATOM 1662 CB SER A 106 8.715 -13.108 -0.371 1.00 0.00 C ATOM 1663 OG SER A 106 7.461 -13.719 -0.621 1.00 0.00 O ATOM 0 H SER A 106 7.848 -10.830 0.004 1.00 0.00 H new ATOM 0 HA SER A 106 8.107 -13.015 1.687 1.00 0.00 H new ATOM 0 HB2 SER A 106 8.921 -12.364 -1.141 1.00 0.00 H new ATOM 0 HB3 SER A 106 9.506 -13.856 -0.431 1.00 0.00 H new ATOM 0 HG SER A 106 7.471 -14.135 -1.508 1.00 0.00 H new ATOM 1669 N ASP A 107 11.035 -11.675 0.905 1.00 0.00 N ATOM 1670 CA ASP A 107 12.428 -11.578 1.328 1.00 0.00 C ATOM 1671 C ASP A 107 12.548 -10.787 2.627 1.00 0.00 C ATOM 1672 O ASP A 107 13.538 -10.904 3.349 1.00 0.00 O ATOM 1673 CB ASP A 107 13.270 -10.918 0.235 1.00 0.00 C ATOM 1674 CG ASP A 107 13.369 -11.772 -1.014 1.00 0.00 C ATOM 1675 OD1 ASP A 107 13.343 -13.014 -0.887 1.00 0.00 O ATOM 1676 OD2 ASP A 107 13.474 -11.199 -2.119 1.00 0.00 O ATOM 0 H ASP A 107 10.804 -11.116 0.084 1.00 0.00 H new ATOM 0 HA ASP A 107 12.800 -12.588 1.503 1.00 0.00 H new ATOM 0 HB2 ASP A 107 12.834 -9.952 -0.022 1.00 0.00 H new ATOM 0 HB3 ASP A 107 14.271 -10.724 0.619 1.00 0.00 H new ATOM 1681 N LYS A 108 11.534 -9.979 2.917 1.00 0.00 N ATOM 1682 CA LYS A 108 11.524 -9.168 4.129 1.00 0.00 C ATOM 1683 C LYS A 108 12.664 -8.155 4.114 1.00 0.00 C ATOM 1684 O LYS A 108 13.325 -7.936 5.129 1.00 0.00 O ATOM 1685 CB LYS A 108 11.637 -10.061 5.366 1.00 0.00 C ATOM 1686 CG LYS A 108 10.543 -11.111 5.460 1.00 0.00 C ATOM 1687 CD LYS A 108 10.834 -12.122 6.556 1.00 0.00 C ATOM 1688 CE LYS A 108 11.667 -13.284 6.037 1.00 0.00 C ATOM 1689 NZ LYS A 108 12.295 -14.055 7.145 1.00 0.00 N ATOM 0 H LYS A 108 10.708 -9.868 2.329 1.00 0.00 H new ATOM 0 HA LYS A 108 10.579 -8.625 4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.607 -10.559 5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.607 -9.436 6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.587 -10.625 5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.449 -11.626 4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.362 -11.631 7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 108 9.896 -12.499 6.963 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.036 -13.947 5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.444 -12.906 5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.984 -14.728 6.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.779 -13.401 7.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.561 -14.576 7.665 1.00 0.00 H new ATOM 1703 N GLU A 109 12.888 -7.539 2.958 1.00 0.00 N ATOM 1704 CA GLU A 109 13.949 -6.548 2.813 1.00 0.00 C ATOM 1705 C GLU A 109 13.810 -5.446 3.859 1.00 0.00 C ATOM 1706 O GLU A 109 14.804 -4.892 4.327 1.00 0.00 O ATOM 1707 CB GLU A 109 13.922 -5.941 1.409 1.00 0.00 C ATOM 1708 CG GLU A 109 14.371 -6.901 0.321 1.00 0.00 C ATOM 1709 CD GLU A 109 14.681 -6.199 -0.986 1.00 0.00 C ATOM 1710 OE1 GLU A 109 15.778 -5.613 -1.101 1.00 0.00 O ATOM 1711 OE2 GLU A 109 13.825 -6.234 -1.896 1.00 0.00 O ATOM 0 H GLU A 109 12.350 -7.708 2.108 1.00 0.00 H new ATOM 0 HA GLU A 109 14.904 -7.051 2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.910 -5.603 1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.563 -5.060 1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.257 -7.438 0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 109 13.592 -7.644 0.154 1.00 0.00 H new ATOM 1718 N TRP A 110 12.571 -5.134 4.220 1.00 0.00 N ATOM 1719 CA TRP A 110 12.301 -4.097 5.210 1.00 0.00 C ATOM 1720 C TRP A 110 13.339 -4.128 6.326 1.00 0.00 C ATOM 1721 O TRP A 110 13.772 -3.083 6.814 1.00 0.00 O ATOM 1722 CB TRP A 110 10.899 -4.275 5.795 1.00 0.00 C ATOM 1723 CG TRP A 110 10.604 -5.684 6.212 1.00 0.00 C ATOM 1724 CD1 TRP A 110 10.072 -6.674 5.436 1.00 0.00 C ATOM 1725 CD2 TRP A 110 10.821 -6.258 7.505 1.00 0.00 C ATOM 1726 NE1 TRP A 110 9.946 -7.829 6.169 1.00 0.00 N ATOM 1727 CE2 TRP A 110 10.399 -7.601 7.441 1.00 0.00 C ATOM 1728 CE3 TRP A 110 11.334 -5.770 8.711 1.00 0.00 C ATOM 1729 CZ2 TRP A 110 10.474 -8.457 8.536 1.00 0.00 C ATOM 1730 CZ3 TRP A 110 11.406 -6.622 9.797 1.00 0.00 C ATOM 1731 CH2 TRP A 110 10.979 -7.953 9.704 1.00 0.00 C ATOM 0 H TRP A 110 11.737 -5.584 3.842 1.00 0.00 H new ATOM 0 HA TRP A 110 12.359 -3.129 4.712 1.00 0.00 H new ATOM 0 HB2 TRP A 110 10.787 -3.617 6.657 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.162 -3.961 5.056 1.00 0.00 H new ATOM 0 HD1 TRP A 110 9.792 -6.565 4.399 1.00 0.00 H new ATOM 0 HE1 TRP A 110 9.575 -8.713 5.822 1.00 0.00 H new ATOM 0 HE3 TRP A 110 11.668 -4.746 8.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 10.145 -9.483 8.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 11.798 -6.255 10.734 1.00 0.00 H new ATOM 0 HH2 TRP A 110 11.050 -8.594 10.571 1.00 0.00 H new ATOM 1742 N LYS A 111 13.736 -5.331 6.727 1.00 0.00 N ATOM 1743 CA LYS A 111 14.725 -5.498 7.785 1.00 0.00 C ATOM 1744 C LYS A 111 15.997 -4.718 7.469 1.00 0.00 C ATOM 1745 O LYS A 111 16.526 -4.003 8.320 1.00 0.00 O ATOM 1746 CB LYS A 111 15.056 -6.980 7.973 1.00 0.00 C ATOM 1747 CG LYS A 111 14.148 -7.685 8.965 1.00 0.00 C ATOM 1748 CD LYS A 111 14.574 -9.128 9.183 1.00 0.00 C ATOM 1749 CE LYS A 111 13.889 -10.066 8.202 1.00 0.00 C ATOM 1750 NZ LYS A 111 14.621 -11.356 8.065 1.00 0.00 N ATOM 0 H LYS A 111 13.387 -6.206 6.335 1.00 0.00 H new ATOM 0 HA LYS A 111 14.300 -5.107 8.710 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.988 -7.484 7.009 1.00 0.00 H new ATOM 0 HB3 LYS A 111 16.089 -7.073 8.309 1.00 0.00 H new ATOM 0 HG2 LYS A 111 14.163 -7.152 9.916 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.121 -7.659 8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 111 15.655 -9.210 9.072 1.00 0.00 H new ATOM 0 HD3 LYS A 111 14.335 -9.429 10.203 1.00 0.00 H new ATOM 0 HE2 LYS A 111 12.870 -10.260 8.537 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.818 -9.583 7.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.122 -11.968 7.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.585 -11.173 7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 14.667 -11.829 8.990 1.00 0.00 H new ATOM 1764 N SER A 112 16.482 -4.859 6.239 1.00 0.00 N ATOM 1765 CA SER A 112 17.694 -4.170 5.812 1.00 0.00 C ATOM 1766 C SER A 112 17.569 -2.665 6.033 1.00 0.00 C ATOM 1767 O SER A 112 18.563 -1.978 6.272 1.00 0.00 O ATOM 1768 CB SER A 112 17.976 -4.458 4.336 1.00 0.00 C ATOM 1769 OG SER A 112 19.017 -3.631 3.845 1.00 0.00 O ATOM 0 H SER A 112 16.054 -5.444 5.521 1.00 0.00 H new ATOM 0 HA SER A 112 18.525 -4.541 6.413 1.00 0.00 H new ATOM 0 HB2 SER A 112 18.251 -5.506 4.213 1.00 0.00 H new ATOM 0 HB3 SER A 112 17.071 -4.295 3.751 1.00 0.00 H new ATOM 0 HG SER A 112 19.179 -3.835 2.900 1.00 0.00 H new ATOM 1775 N ILE A 113 16.343 -2.161 5.952 1.00 0.00 N ATOM 1776 CA ILE A 113 16.087 -0.739 6.144 1.00 0.00 C ATOM 1777 C ILE A 113 15.967 -0.398 7.625 1.00 0.00 C ATOM 1778 O ILE A 113 15.297 -1.101 8.381 1.00 0.00 O ATOM 1779 CB ILE A 113 14.803 -0.295 5.420 1.00 0.00 C ATOM 1780 CG1 ILE A 113 14.893 -0.621 3.928 1.00 0.00 C ATOM 1781 CG2 ILE A 113 14.565 1.193 5.629 1.00 0.00 C ATOM 1782 CD1 ILE A 113 13.547 -0.691 3.242 1.00 0.00 C ATOM 0 H ILE A 113 15.511 -2.716 5.755 1.00 0.00 H new ATOM 0 HA ILE A 113 16.936 -0.205 5.718 1.00 0.00 H new ATOM 0 HB ILE A 113 13.959 -0.841 5.841 1.00 0.00 H new ATOM 0 HG12 ILE A 113 15.504 0.136 3.435 1.00 0.00 H new ATOM 0 HG13 ILE A 113 15.405 -1.575 3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 113 13.654 1.492 5.111 1.00 0.00 H new ATOM 0 HG22 ILE A 113 14.461 1.399 6.694 1.00 0.00 H new ATOM 0 HG23 ILE A 113 15.409 1.756 5.231 1.00 0.00 H new ATOM 0 HD11 ILE A 113 13.688 -0.926 2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 113 12.941 -1.467 3.709 1.00 0.00 H new ATOM 0 HD13 ILE A 113 13.041 0.270 3.335 1.00 0.00 H new