USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 773 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 90 THR OG1 : rot -101:sc= 1.29 USER MOD Set 1.2: A 96 TYR OH : rot 165:sc= -0.531 USER MOD Set 2.1: A 31 THR OG1 : rot -170:sc= -1.1 USER MOD Set 2.2: A 80 LYS NZ :NH3+ -145:sc= -0.0092 (180deg=-0.316) USER MOD Set 3.1: A 49 CYS SG : rot 3:sc= -0.638 USER MOD Set 3.2: A 53 HIS : no HE2:sc= -1.08 K(o=-1.7,f=-4.2!) USER MOD Set 4.1: A 33 SER OG : rot 180:sc= -0.414 USER MOD Set 4.2: A 73 HIS : no HD1:sc= -2.39 K(o=-2.8,f=-3.5) USER MOD Single : A 6 SER OG : rot 180:sc= 0.0491 USER MOD Single : A 12 ASN : amide:sc= -0.776 K(o=-0.78,f=-6.7!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0017 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.014 USER MOD Single : A 27 SER OG : rot 160:sc= -1.71 USER MOD Single : A 29 HIS : no HD1:sc= -0.538 X(o=-0.54,f=-0.11) USER MOD Single : A 35 SER OG : rot 140:sc= -0.417 USER MOD Single : A 39 LYS NZ :NH3+ -121:sc= -0.576! (180deg=-4.18!) USER MOD Single : A 44 ASN : amide:sc= 0.235 X(o=0.23,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.62) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0104) USER MOD Single : A 60 ASN : amide:sc= -0.411 K(o=-0.41,f=-1.4) USER MOD Single : A 61 HIS : no HD1:sc= -0.0182 X(o=-0.018,f=-0.16) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.0374 K(o=0.037,f=-14!) USER MOD Single : A 76 SER OG : rot 79:sc= 0.613 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 165:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -0.087 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N GLU A 5 5.063 -8.817 -3.652 1.00 0.00 N ATOM 63 CA GLU A 5 5.150 -7.608 -4.457 1.00 0.00 C ATOM 64 C GLU A 5 3.768 -7.024 -4.702 1.00 0.00 C ATOM 65 O GLU A 5 3.378 -6.036 -4.082 1.00 0.00 O ATOM 66 CB GLU A 5 5.843 -7.908 -5.788 1.00 0.00 C ATOM 67 CG GLU A 5 7.163 -7.175 -5.963 1.00 0.00 C ATOM 68 CD GLU A 5 7.567 -7.041 -7.418 1.00 0.00 C ATOM 69 OE1 GLU A 5 7.381 -8.015 -8.178 1.00 0.00 O ATOM 70 OE2 GLU A 5 8.069 -5.962 -7.798 1.00 0.00 O ATOM 0 HA GLU A 5 5.740 -6.873 -3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.020 -8.981 -5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.175 -7.637 -6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.085 -6.183 -5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.944 -7.707 -5.420 1.00 0.00 H new ATOM 77 N SER A 6 3.037 -7.650 -5.607 1.00 0.00 N ATOM 78 CA SER A 6 1.690 -7.207 -5.949 1.00 0.00 C ATOM 79 C SER A 6 0.730 -7.464 -4.795 1.00 0.00 C ATOM 80 O SER A 6 0.973 -8.331 -3.955 1.00 0.00 O ATOM 81 CB SER A 6 1.198 -7.926 -7.206 1.00 0.00 C ATOM 82 OG SER A 6 1.662 -9.265 -7.243 1.00 0.00 O ATOM 0 H SER A 6 3.353 -8.471 -6.123 1.00 0.00 H new ATOM 0 HA SER A 6 1.723 -6.135 -6.143 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.108 -7.915 -7.232 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.544 -7.394 -8.092 1.00 0.00 H new ATOM 0 HG SER A 6 1.332 -9.703 -8.055 1.00 0.00 H new ATOM 88 N ILE A 7 -0.360 -6.704 -4.752 1.00 0.00 N ATOM 89 CA ILE A 7 -1.348 -6.857 -3.692 1.00 0.00 C ATOM 90 C ILE A 7 -2.685 -7.331 -4.255 1.00 0.00 C ATOM 91 O ILE A 7 -3.662 -6.581 -4.280 1.00 0.00 O ATOM 92 CB ILE A 7 -1.567 -5.541 -2.913 1.00 0.00 C ATOM 93 CG1 ILE A 7 -0.295 -4.687 -2.919 1.00 0.00 C ATOM 94 CG2 ILE A 7 -1.999 -5.840 -1.485 1.00 0.00 C ATOM 95 CD1 ILE A 7 -0.472 -3.335 -2.265 1.00 0.00 C ATOM 0 H ILE A 7 -0.580 -5.980 -5.436 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.954 -7.606 -3.005 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.358 -4.977 -3.408 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.499 -5.229 -2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.032 -4.543 -3.949 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.150 -4.904 -0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.931 -6.406 -1.498 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.226 -6.425 -0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.468 -2.785 -2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.243 -2.774 -2.792 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.769 -3.470 -1.225 1.00 0.00 H new ATOM 107 N ARG A 8 -2.723 -8.580 -4.706 1.00 0.00 N ATOM 108 CA ARG A 8 -3.940 -9.152 -5.269 1.00 0.00 C ATOM 109 C ARG A 8 -4.689 -9.970 -4.223 1.00 0.00 C ATOM 110 O ARG A 8 -4.298 -11.092 -3.899 1.00 0.00 O ATOM 111 CB ARG A 8 -3.608 -10.029 -6.477 1.00 0.00 C ATOM 112 CG ARG A 8 -4.693 -10.032 -7.542 1.00 0.00 C ATOM 113 CD ARG A 8 -4.212 -10.684 -8.827 1.00 0.00 C ATOM 114 NE ARG A 8 -4.103 -12.136 -8.698 1.00 0.00 N ATOM 115 CZ ARG A 8 -4.066 -12.972 -9.733 1.00 0.00 C ATOM 116 NH1 ARG A 8 -4.129 -12.506 -10.974 1.00 0.00 N ATOM 117 NH2 ARG A 8 -3.965 -14.278 -9.527 1.00 0.00 N ATOM 0 H ARG A 8 -1.925 -9.215 -4.693 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.581 -8.332 -5.592 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.675 -9.683 -6.922 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.440 -11.051 -6.138 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.569 -10.563 -7.169 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.005 -9.008 -7.747 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.902 -10.443 -9.636 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.242 -10.271 -9.102 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.052 -12.532 -7.759 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.206 -11.502 -11.139 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.100 -13.152 -11.763 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.916 -14.642 -8.575 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.937 -14.919 -10.320 1.00 0.00 H new ATOM 131 N PHE A 9 -5.769 -9.402 -3.698 1.00 0.00 N ATOM 132 CA PHE A 9 -6.575 -10.078 -2.688 1.00 0.00 C ATOM 133 C PHE A 9 -8.058 -9.999 -3.035 1.00 0.00 C ATOM 134 O PHE A 9 -8.807 -9.229 -2.434 1.00 0.00 O ATOM 135 CB PHE A 9 -6.326 -9.464 -1.309 1.00 0.00 C ATOM 136 CG PHE A 9 -6.518 -7.974 -1.269 1.00 0.00 C ATOM 137 CD1 PHE A 9 -5.657 -7.132 -1.956 1.00 0.00 C ATOM 138 CD2 PHE A 9 -7.558 -7.416 -0.543 1.00 0.00 C ATOM 139 CE1 PHE A 9 -5.830 -5.762 -1.919 1.00 0.00 C ATOM 140 CE2 PHE A 9 -7.736 -6.046 -0.503 1.00 0.00 C ATOM 141 CZ PHE A 9 -6.871 -5.218 -1.191 1.00 0.00 C ATOM 0 H PHE A 9 -6.107 -8.475 -3.955 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.281 -11.127 -2.667 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.999 -9.928 -0.587 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.309 -9.699 -0.994 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.842 -7.552 -2.527 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.237 -8.059 -0.002 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.152 -5.117 -2.458 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -8.551 -5.623 0.066 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.008 -4.147 -1.160 1.00 0.00 H new ATOM 151 N GLY A 10 -8.475 -10.800 -4.010 1.00 0.00 N ATOM 152 CA GLY A 10 -9.866 -10.806 -4.422 1.00 0.00 C ATOM 153 C GLY A 10 -10.062 -10.216 -5.806 1.00 0.00 C ATOM 154 O GLY A 10 -9.101 -10.069 -6.561 1.00 0.00 O ATOM 0 H GLY A 10 -7.874 -11.445 -4.522 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.241 -11.829 -4.410 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.458 -10.241 -3.702 1.00 0.00 H new ATOM 158 N PRO A 11 -11.306 -9.862 -6.171 1.00 0.00 N ATOM 159 CA PRO A 11 -11.609 -9.282 -7.483 1.00 0.00 C ATOM 160 C PRO A 11 -10.741 -8.067 -7.794 1.00 0.00 C ATOM 161 O PRO A 11 -10.524 -7.729 -8.958 1.00 0.00 O ATOM 162 CB PRO A 11 -13.079 -8.871 -7.362 1.00 0.00 C ATOM 163 CG PRO A 11 -13.636 -9.756 -6.302 1.00 0.00 C ATOM 164 CD PRO A 11 -12.512 -10.000 -5.334 1.00 0.00 C ATOM 0 HA PRO A 11 -11.415 -9.986 -8.292 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.175 -7.820 -7.090 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.606 -9.005 -8.307 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -14.484 -9.284 -5.805 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.997 -10.693 -6.726 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.520 -9.277 -4.518 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.577 -10.990 -4.883 1.00 0.00 H new ATOM 172 N ASN A 12 -10.250 -7.411 -6.748 1.00 0.00 N ATOM 173 CA ASN A 12 -9.409 -6.231 -6.912 1.00 0.00 C ATOM 174 C ASN A 12 -7.931 -6.609 -6.946 1.00 0.00 C ATOM 175 O ASN A 12 -7.454 -7.371 -6.105 1.00 0.00 O ATOM 176 CB ASN A 12 -9.664 -5.236 -5.778 1.00 0.00 C ATOM 177 CG ASN A 12 -10.711 -4.201 -6.140 1.00 0.00 C ATOM 178 OD1 ASN A 12 -10.448 -3.278 -6.911 1.00 0.00 O ATOM 179 ND2 ASN A 12 -11.908 -4.351 -5.584 1.00 0.00 N ATOM 0 H ASN A 12 -10.420 -7.676 -5.778 1.00 0.00 H new ATOM 0 HA ASN A 12 -9.667 -5.766 -7.863 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.985 -5.778 -4.889 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -8.731 -4.732 -5.524 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -12.653 -3.686 -5.791 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -12.082 -5.131 -4.950 1.00 0.00 H new ATOM 186 N VAL A 13 -7.211 -6.066 -7.922 1.00 0.00 N ATOM 187 CA VAL A 13 -5.786 -6.337 -8.068 1.00 0.00 C ATOM 188 C VAL A 13 -4.976 -5.052 -7.942 1.00 0.00 C ATOM 189 O VAL A 13 -5.313 -4.035 -8.548 1.00 0.00 O ATOM 190 CB VAL A 13 -5.474 -6.997 -9.425 1.00 0.00 C ATOM 191 CG1 VAL A 13 -4.026 -7.458 -9.475 1.00 0.00 C ATOM 192 CG2 VAL A 13 -6.421 -8.159 -9.684 1.00 0.00 C ATOM 0 H VAL A 13 -7.593 -5.434 -8.626 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.507 -7.024 -7.269 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.622 -6.256 -10.211 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.825 -7.921 -10.441 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.366 -6.601 -9.339 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.847 -8.183 -8.681 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.186 -8.613 -10.647 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.309 -8.903 -8.895 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.448 -7.795 -9.696 1.00 0.00 H new ATOM 202 N PHE A 14 -3.910 -5.099 -7.150 1.00 0.00 N ATOM 203 CA PHE A 14 -3.062 -3.930 -6.948 1.00 0.00 C ATOM 204 C PHE A 14 -1.676 -4.147 -7.542 1.00 0.00 C ATOM 205 O PHE A 14 -0.927 -5.017 -7.097 1.00 0.00 O ATOM 206 CB PHE A 14 -2.940 -3.613 -5.457 1.00 0.00 C ATOM 207 CG PHE A 14 -2.833 -2.144 -5.163 1.00 0.00 C ATOM 208 CD1 PHE A 14 -1.611 -1.495 -5.242 1.00 0.00 C ATOM 209 CD2 PHE A 14 -3.955 -1.412 -4.809 1.00 0.00 C ATOM 210 CE1 PHE A 14 -1.510 -0.144 -4.973 1.00 0.00 C ATOM 211 CE2 PHE A 14 -3.860 -0.060 -4.538 1.00 0.00 C ATOM 212 CZ PHE A 14 -2.636 0.575 -4.620 1.00 0.00 C ATOM 0 H PHE A 14 -3.614 -5.931 -6.639 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.529 -3.088 -7.459 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.808 -4.017 -4.936 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -2.062 -4.120 -5.057 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.728 -2.052 -5.517 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.915 -1.903 -4.744 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.552 0.350 -5.039 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.742 0.499 -4.262 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.559 1.631 -4.409 1.00 0.00 H new ATOM 222 N TYR A 15 -1.338 -3.345 -8.545 1.00 0.00 N ATOM 223 CA TYR A 15 -0.037 -3.445 -9.193 1.00 0.00 C ATOM 224 C TYR A 15 1.027 -2.735 -8.365 1.00 0.00 C ATOM 225 O TYR A 15 1.059 -1.506 -8.297 1.00 0.00 O ATOM 226 CB TYR A 15 -0.094 -2.844 -10.598 1.00 0.00 C ATOM 227 CG TYR A 15 -0.859 -3.692 -11.590 1.00 0.00 C ATOM 228 CD1 TYR A 15 -0.219 -4.678 -12.329 1.00 0.00 C ATOM 229 CD2 TYR A 15 -2.222 -3.505 -11.786 1.00 0.00 C ATOM 230 CE1 TYR A 15 -0.914 -5.455 -13.236 1.00 0.00 C ATOM 231 CE2 TYR A 15 -2.925 -4.278 -12.690 1.00 0.00 C ATOM 232 CZ TYR A 15 -2.267 -5.251 -13.413 1.00 0.00 C ATOM 233 OH TYR A 15 -2.963 -6.023 -14.315 1.00 0.00 O ATOM 0 H TYR A 15 -1.946 -2.620 -8.926 1.00 0.00 H new ATOM 0 HA TYR A 15 0.227 -4.500 -9.272 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.556 -1.858 -10.544 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.923 -2.700 -10.964 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.840 -4.840 -12.193 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.740 -2.743 -11.223 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.401 -6.218 -13.803 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.984 -4.121 -12.830 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.905 -5.753 -14.318 1.00 0.00 H new ATOM 243 N VAL A 16 1.892 -3.517 -7.730 1.00 0.00 N ATOM 244 CA VAL A 16 2.954 -2.968 -6.899 1.00 0.00 C ATOM 245 C VAL A 16 3.980 -2.193 -7.727 1.00 0.00 C ATOM 246 O VAL A 16 4.832 -1.496 -7.177 1.00 0.00 O ATOM 247 CB VAL A 16 3.662 -4.084 -6.108 1.00 0.00 C ATOM 248 CG1 VAL A 16 4.411 -5.024 -7.043 1.00 0.00 C ATOM 249 CG2 VAL A 16 4.594 -3.496 -5.059 1.00 0.00 C ATOM 0 H VAL A 16 1.878 -4.536 -7.776 1.00 0.00 H new ATOM 0 HA VAL A 16 2.486 -2.274 -6.201 1.00 0.00 H new ATOM 0 HB VAL A 16 2.900 -4.667 -5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.902 -5.803 -6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.708 -5.481 -7.739 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.160 -4.462 -7.601 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.083 -4.303 -4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.349 -2.879 -5.547 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.019 -2.884 -4.364 1.00 0.00 H new ATOM 259 N LEU A 17 3.895 -2.314 -9.049 1.00 0.00 N ATOM 260 CA LEU A 17 4.818 -1.620 -9.940 1.00 0.00 C ATOM 261 C LEU A 17 4.081 -0.634 -10.849 1.00 0.00 C ATOM 262 O LEU A 17 4.708 0.158 -11.552 1.00 0.00 O ATOM 263 CB LEU A 17 5.595 -2.633 -10.785 1.00 0.00 C ATOM 264 CG LEU A 17 6.955 -3.059 -10.219 1.00 0.00 C ATOM 265 CD1 LEU A 17 6.912 -3.143 -8.699 1.00 0.00 C ATOM 266 CD2 LEU A 17 7.378 -4.394 -10.811 1.00 0.00 C ATOM 0 H LEU A 17 3.197 -2.885 -9.526 1.00 0.00 H new ATOM 0 HA LEU A 17 5.516 -1.053 -9.324 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.979 -3.523 -10.912 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.750 -2.209 -11.777 1.00 0.00 H new ATOM 0 HG LEU A 17 7.690 -2.303 -10.495 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.889 -3.447 -8.324 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.653 -2.167 -8.288 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.163 -3.875 -8.396 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.345 -4.684 -10.400 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.636 -5.153 -10.563 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.456 -4.303 -11.894 1.00 0.00 H new ATOM 278 N LYS A 18 2.749 -0.686 -10.836 1.00 0.00 N ATOM 279 CA LYS A 18 1.943 0.203 -11.665 1.00 0.00 C ATOM 280 C LYS A 18 1.210 1.239 -10.816 1.00 0.00 C ATOM 281 O LYS A 18 1.056 2.390 -11.225 1.00 0.00 O ATOM 282 CB LYS A 18 0.938 -0.608 -12.482 1.00 0.00 C ATOM 283 CG LYS A 18 0.717 -0.071 -13.884 1.00 0.00 C ATOM 284 CD LYS A 18 0.102 -1.126 -14.786 1.00 0.00 C ATOM 285 CE LYS A 18 -0.419 -0.522 -16.080 1.00 0.00 C ATOM 286 NZ LYS A 18 0.523 -0.738 -17.213 1.00 0.00 N ATOM 0 H LYS A 18 2.209 -1.333 -10.262 1.00 0.00 H new ATOM 0 HA LYS A 18 2.614 0.733 -12.341 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.285 -1.639 -12.548 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.016 -0.625 -11.955 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.065 0.801 -13.843 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.667 0.261 -14.303 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.846 -1.889 -15.014 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.714 -1.623 -14.261 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.386 -0.963 -16.323 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.582 0.547 -15.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.131 -0.311 -18.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.438 -0.296 -16.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.659 -1.758 -17.362 1.00 0.00 H new ATOM 300 N LEU A 19 0.756 0.825 -9.634 1.00 0.00 N ATOM 301 CA LEU A 19 0.037 1.718 -8.730 1.00 0.00 C ATOM 302 C LEU A 19 -1.385 1.961 -9.225 1.00 0.00 C ATOM 303 O LEU A 19 -1.863 3.095 -9.246 1.00 0.00 O ATOM 304 CB LEU A 19 0.779 3.050 -8.585 1.00 0.00 C ATOM 305 CG LEU A 19 2.304 2.933 -8.494 1.00 0.00 C ATOM 306 CD1 LEU A 19 2.974 3.816 -9.536 1.00 0.00 C ATOM 307 CD2 LEU A 19 2.784 3.295 -7.097 1.00 0.00 C ATOM 0 H LEU A 19 0.874 -0.125 -9.281 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.014 1.238 -7.753 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.528 3.683 -9.436 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.414 3.557 -7.692 1.00 0.00 H new ATOM 0 HG LEU A 19 2.581 1.898 -8.695 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.057 3.718 -9.454 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.656 3.508 -10.532 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.690 4.855 -9.369 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.869 3.206 -7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.494 4.320 -6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.333 2.618 -6.371 1.00 0.00 H new ATOM 319 N THR A 20 -2.055 0.884 -9.621 1.00 0.00 N ATOM 320 CA THR A 20 -3.424 0.971 -10.115 1.00 0.00 C ATOM 321 C THR A 20 -4.250 -0.214 -9.628 1.00 0.00 C ATOM 322 O THR A 20 -3.776 -1.350 -9.617 1.00 0.00 O ATOM 323 CB THR A 20 -3.435 1.024 -11.643 1.00 0.00 C ATOM 324 OG1 THR A 20 -2.226 1.573 -12.135 1.00 0.00 O ATOM 325 CG2 THR A 20 -4.575 1.845 -12.205 1.00 0.00 C ATOM 0 H THR A 20 -1.671 -0.061 -9.609 1.00 0.00 H new ATOM 0 HA THR A 20 -3.869 1.887 -9.726 1.00 0.00 H new ATOM 0 HB THR A 20 -3.559 -0.009 -11.967 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.252 1.597 -13.114 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.524 1.841 -13.294 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.525 1.416 -11.885 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.499 2.870 -11.842 1.00 0.00 H new ATOM 333 N VAL A 21 -5.486 0.057 -9.224 1.00 0.00 N ATOM 334 CA VAL A 21 -6.375 -0.990 -8.734 1.00 0.00 C ATOM 335 C VAL A 21 -7.374 -1.411 -9.806 1.00 0.00 C ATOM 336 O VAL A 21 -8.266 -0.645 -10.174 1.00 0.00 O ATOM 337 CB VAL A 21 -7.145 -0.532 -7.481 1.00 0.00 C ATOM 338 CG1 VAL A 21 -7.921 -1.692 -6.876 1.00 0.00 C ATOM 339 CG2 VAL A 21 -6.191 0.073 -6.461 1.00 0.00 C ATOM 0 H VAL A 21 -5.895 0.991 -9.226 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.746 -1.842 -8.474 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.860 0.236 -7.776 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.458 -1.349 -5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.633 -2.074 -7.608 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.229 -2.485 -6.594 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.752 0.391 -5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.451 -0.672 -6.169 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.686 0.933 -6.900 1.00 0.00 H new ATOM 349 N GLU A 22 -7.219 -2.633 -10.304 1.00 0.00 N ATOM 350 CA GLU A 22 -8.108 -3.159 -11.333 1.00 0.00 C ATOM 351 C GLU A 22 -9.447 -3.579 -10.733 1.00 0.00 C ATOM 352 O GLU A 22 -9.525 -4.558 -9.991 1.00 0.00 O ATOM 353 CB GLU A 22 -7.454 -4.348 -12.042 1.00 0.00 C ATOM 354 CG GLU A 22 -7.266 -4.137 -13.536 1.00 0.00 C ATOM 355 CD GLU A 22 -7.415 -5.421 -14.329 1.00 0.00 C ATOM 356 OE1 GLU A 22 -7.044 -6.491 -13.801 1.00 0.00 O ATOM 357 OE2 GLU A 22 -7.904 -5.357 -15.476 1.00 0.00 O ATOM 0 H GLU A 22 -6.485 -3.278 -10.011 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.291 -2.368 -12.061 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.483 -4.543 -11.586 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.065 -5.236 -11.883 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.995 -3.408 -13.891 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.278 -3.714 -13.718 1.00 0.00 H new ATOM 364 N THR A 23 -10.497 -2.833 -11.059 1.00 0.00 N ATOM 365 CA THR A 23 -11.831 -3.129 -10.551 1.00 0.00 C ATOM 366 C THR A 23 -12.660 -3.868 -11.600 1.00 0.00 C ATOM 367 O THR A 23 -12.305 -3.895 -12.778 1.00 0.00 O ATOM 368 CB THR A 23 -12.541 -1.839 -10.138 1.00 0.00 C ATOM 369 OG1 THR A 23 -12.066 -0.740 -10.896 1.00 0.00 O ATOM 370 CG2 THR A 23 -12.362 -1.498 -8.675 1.00 0.00 C ATOM 0 H THR A 23 -10.450 -2.019 -11.672 1.00 0.00 H new ATOM 0 HA THR A 23 -11.726 -3.772 -9.677 1.00 0.00 H new ATOM 0 HB THR A 23 -13.599 -2.021 -10.325 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.533 0.075 -10.618 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.891 -0.572 -8.450 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.764 -2.304 -8.062 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.301 -1.372 -8.458 1.00 0.00 H new ATOM 378 N PRO A 24 -13.782 -4.480 -11.182 1.00 0.00 N ATOM 379 CA PRO A 24 -14.663 -5.222 -12.087 1.00 0.00 C ATOM 380 C PRO A 24 -15.032 -4.418 -13.329 1.00 0.00 C ATOM 381 O PRO A 24 -15.111 -4.960 -14.431 1.00 0.00 O ATOM 382 CB PRO A 24 -15.902 -5.482 -11.230 1.00 0.00 C ATOM 383 CG PRO A 24 -15.399 -5.496 -9.833 1.00 0.00 C ATOM 384 CD PRO A 24 -14.278 -4.498 -9.793 1.00 0.00 C ATOM 0 HA PRO A 24 -14.190 -6.127 -12.468 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.652 -4.704 -11.373 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.372 -6.430 -11.491 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.188 -5.227 -9.130 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.049 -6.489 -9.553 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.627 -3.514 -9.479 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.499 -4.798 -9.093 1.00 0.00 H new ATOM 392 N GLU A 25 -15.256 -3.121 -13.144 1.00 0.00 N ATOM 393 CA GLU A 25 -15.617 -2.242 -14.250 1.00 0.00 C ATOM 394 C GLU A 25 -14.415 -1.985 -15.154 1.00 0.00 C ATOM 395 O GLU A 25 -14.493 -2.154 -16.371 1.00 0.00 O ATOM 396 CB GLU A 25 -16.164 -0.915 -13.716 1.00 0.00 C ATOM 397 CG GLU A 25 -17.679 -0.814 -13.781 1.00 0.00 C ATOM 398 CD GLU A 25 -18.254 0.039 -12.666 1.00 0.00 C ATOM 399 OE1 GLU A 25 -18.061 -0.318 -11.485 1.00 0.00 O ATOM 400 OE2 GLU A 25 -18.899 1.063 -12.975 1.00 0.00 O ATOM 0 H GLU A 25 -15.194 -2.656 -12.239 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.391 -2.735 -14.838 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -15.843 -0.789 -12.682 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.728 -0.095 -14.287 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -17.971 -0.393 -14.743 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -18.109 -1.814 -13.727 1.00 0.00 H new ATOM 407 N GLY A 26 -13.303 -1.578 -14.550 1.00 0.00 N ATOM 408 CA GLY A 26 -12.100 -1.305 -15.315 1.00 0.00 C ATOM 409 C GLY A 26 -10.869 -1.196 -14.439 1.00 0.00 C ATOM 410 O GLY A 26 -10.278 -2.207 -14.057 1.00 0.00 O ATOM 0 H GLY A 26 -13.213 -1.432 -13.544 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.951 -2.098 -16.048 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.230 -0.377 -15.871 1.00 0.00 H new ATOM 414 N SER A 27 -10.481 0.034 -14.118 1.00 0.00 N ATOM 415 CA SER A 27 -9.312 0.273 -13.279 1.00 0.00 C ATOM 416 C SER A 27 -9.475 1.561 -12.478 1.00 0.00 C ATOM 417 O SER A 27 -10.400 2.338 -12.715 1.00 0.00 O ATOM 418 CB SER A 27 -8.048 0.349 -14.137 1.00 0.00 C ATOM 419 OG SER A 27 -6.898 0.552 -13.335 1.00 0.00 O ATOM 0 H SER A 27 -10.959 0.881 -14.426 1.00 0.00 H new ATOM 0 HA SER A 27 -9.219 -0.560 -12.582 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.938 -0.572 -14.710 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.142 1.163 -14.856 1.00 0.00 H new ATOM 0 HG SER A 27 -6.099 0.283 -13.835 1.00 0.00 H new ATOM 425 N VAL A 28 -8.572 1.781 -11.528 1.00 0.00 N ATOM 426 CA VAL A 28 -8.620 2.975 -10.693 1.00 0.00 C ATOM 427 C VAL A 28 -7.220 3.514 -10.419 1.00 0.00 C ATOM 428 O VAL A 28 -6.479 2.960 -9.606 1.00 0.00 O ATOM 429 CB VAL A 28 -9.320 2.694 -9.350 1.00 0.00 C ATOM 430 CG1 VAL A 28 -9.532 3.986 -8.577 1.00 0.00 C ATOM 431 CG2 VAL A 28 -10.643 1.978 -9.578 1.00 0.00 C ATOM 0 H VAL A 28 -7.799 1.149 -11.318 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.192 3.721 -11.244 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.678 2.044 -8.756 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.028 3.767 -7.631 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.568 4.455 -8.381 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.153 4.663 -9.164 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.124 1.787 -8.618 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.293 2.601 -10.192 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.461 1.031 -10.087 1.00 0.00 H new ATOM 441 N HIS A 29 -6.866 4.600 -11.098 1.00 0.00 N ATOM 442 CA HIS A 29 -5.556 5.217 -10.924 1.00 0.00 C ATOM 443 C HIS A 29 -5.490 5.973 -9.601 1.00 0.00 C ATOM 444 O HIS A 29 -6.517 6.373 -9.054 1.00 0.00 O ATOM 445 CB HIS A 29 -5.258 6.168 -12.084 1.00 0.00 C ATOM 446 CG HIS A 29 -5.171 5.482 -13.412 1.00 0.00 C ATOM 447 ND1 HIS A 29 -4.271 5.848 -14.391 1.00 0.00 N ATOM 448 CD2 HIS A 29 -5.877 4.445 -13.922 1.00 0.00 C ATOM 449 CE1 HIS A 29 -4.428 5.067 -15.445 1.00 0.00 C ATOM 450 NE2 HIS A 29 -5.396 4.207 -15.185 1.00 0.00 N ATOM 0 H HIS A 29 -7.468 5.071 -11.774 1.00 0.00 H new ATOM 0 HA HIS A 29 -4.805 4.427 -10.912 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.036 6.930 -12.128 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.318 6.684 -11.888 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.671 3.906 -13.427 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -3.861 5.122 -16.363 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -5.732 3.483 -15.820 1.00 0.00 H new ATOM 459 N LEU A 30 -4.278 6.161 -9.088 1.00 0.00 N ATOM 460 CA LEU A 30 -4.089 6.865 -7.826 1.00 0.00 C ATOM 461 C LEU A 30 -2.697 7.490 -7.755 1.00 0.00 C ATOM 462 O LEU A 30 -1.843 7.215 -8.598 1.00 0.00 O ATOM 463 CB LEU A 30 -4.334 5.901 -6.651 1.00 0.00 C ATOM 464 CG LEU A 30 -3.091 5.308 -5.968 1.00 0.00 C ATOM 465 CD1 LEU A 30 -3.486 4.149 -5.062 1.00 0.00 C ATOM 466 CD2 LEU A 30 -2.062 4.847 -6.992 1.00 0.00 C ATOM 0 H LEU A 30 -3.416 5.837 -9.525 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.812 7.678 -7.761 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.917 6.428 -5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.949 5.076 -7.011 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.637 6.093 -5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.595 3.740 -4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.176 4.504 -4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.970 3.373 -5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.196 4.433 -6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.503 4.083 -7.632 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.750 5.695 -7.602 1.00 0.00 H new ATOM 478 N THR A 31 -2.470 8.323 -6.746 1.00 0.00 N ATOM 479 CA THR A 31 -1.174 8.969 -6.579 1.00 0.00 C ATOM 480 C THR A 31 -0.125 7.937 -6.175 1.00 0.00 C ATOM 481 O THR A 31 -0.259 7.281 -5.142 1.00 0.00 O ATOM 482 CB THR A 31 -1.257 10.074 -5.524 1.00 0.00 C ATOM 483 OG1 THR A 31 -2.558 10.629 -5.477 1.00 0.00 O ATOM 484 CG2 THR A 31 -0.284 11.207 -5.768 1.00 0.00 C ATOM 0 H THR A 31 -3.161 8.566 -6.036 1.00 0.00 H new ATOM 0 HA THR A 31 -0.885 9.418 -7.529 1.00 0.00 H new ATOM 0 HB THR A 31 -1.001 9.591 -4.581 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.551 11.432 -4.915 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.395 11.957 -4.984 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.735 10.820 -5.759 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.491 11.662 -6.737 1.00 0.00 H new ATOM 492 N PRO A 32 0.930 7.762 -6.990 1.00 0.00 N ATOM 493 CA PRO A 32 1.986 6.787 -6.708 1.00 0.00 C ATOM 494 C PRO A 32 2.742 7.095 -5.427 1.00 0.00 C ATOM 495 O PRO A 32 3.259 6.194 -4.767 1.00 0.00 O ATOM 496 CB PRO A 32 2.915 6.886 -7.922 1.00 0.00 C ATOM 497 CG PRO A 32 2.627 8.221 -8.518 1.00 0.00 C ATOM 498 CD PRO A 32 1.173 8.485 -8.251 1.00 0.00 C ATOM 0 HA PRO A 32 1.576 5.789 -6.556 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.961 6.803 -7.627 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.720 6.085 -8.635 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.253 8.992 -8.069 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.835 8.224 -9.588 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.968 9.551 -8.151 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.541 8.113 -9.057 1.00 0.00 H new ATOM 506 N SER A 33 2.796 8.367 -5.077 1.00 0.00 N ATOM 507 CA SER A 33 3.485 8.784 -3.865 1.00 0.00 C ATOM 508 C SER A 33 2.667 8.414 -2.643 1.00 0.00 C ATOM 509 O SER A 33 3.214 8.098 -1.587 1.00 0.00 O ATOM 510 CB SER A 33 3.763 10.289 -3.887 1.00 0.00 C ATOM 511 OG SER A 33 2.672 11.001 -4.445 1.00 0.00 O ATOM 0 H SER A 33 2.374 9.127 -5.610 1.00 0.00 H new ATOM 0 HA SER A 33 4.441 8.263 -3.817 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.951 10.642 -2.873 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.665 10.487 -4.466 1.00 0.00 H new ATOM 0 HG SER A 33 2.874 11.960 -4.446 1.00 0.00 H new ATOM 517 N GLU A 34 1.354 8.426 -2.805 1.00 0.00 N ATOM 518 CA GLU A 34 0.456 8.061 -1.724 1.00 0.00 C ATOM 519 C GLU A 34 0.311 6.558 -1.682 1.00 0.00 C ATOM 520 O GLU A 34 0.433 5.933 -0.630 1.00 0.00 O ATOM 521 CB GLU A 34 -0.911 8.727 -1.901 1.00 0.00 C ATOM 522 CG GLU A 34 -0.906 10.218 -1.610 1.00 0.00 C ATOM 523 CD GLU A 34 -2.061 10.945 -2.270 1.00 0.00 C ATOM 524 OE1 GLU A 34 -3.157 10.354 -2.365 1.00 0.00 O ATOM 525 OE2 GLU A 34 -1.869 12.105 -2.692 1.00 0.00 O ATOM 0 H GLU A 34 0.887 8.685 -3.674 1.00 0.00 H new ATOM 0 HA GLU A 34 0.876 8.411 -0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.254 8.566 -2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.631 8.240 -1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.952 10.374 -0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.034 10.649 -1.955 1.00 0.00 H new ATOM 532 N SER A 35 0.092 5.976 -2.843 1.00 0.00 N ATOM 533 CA SER A 35 -0.024 4.537 -2.941 1.00 0.00 C ATOM 534 C SER A 35 1.324 3.901 -2.618 1.00 0.00 C ATOM 535 O SER A 35 1.403 2.715 -2.301 1.00 0.00 O ATOM 536 CB SER A 35 -0.516 4.129 -4.331 1.00 0.00 C ATOM 537 OG SER A 35 0.528 3.572 -5.111 1.00 0.00 O ATOM 0 H SER A 35 -0.009 6.475 -3.727 1.00 0.00 H new ATOM 0 HA SER A 35 -0.760 4.181 -2.220 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.324 3.404 -4.233 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.928 4.999 -4.842 1.00 0.00 H new ATOM 0 HG SER A 35 0.184 2.809 -5.621 1.00 0.00 H new ATOM 543 N GLY A 36 2.387 4.713 -2.678 1.00 0.00 N ATOM 544 CA GLY A 36 3.708 4.218 -2.364 1.00 0.00 C ATOM 545 C GLY A 36 3.832 3.858 -0.902 1.00 0.00 C ATOM 546 O GLY A 36 4.557 2.932 -0.540 1.00 0.00 O ATOM 0 H GLY A 36 2.348 5.698 -2.938 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.924 3.342 -2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.451 4.974 -2.618 1.00 0.00 H new ATOM 550 N ILE A 37 3.108 4.588 -0.060 1.00 0.00 N ATOM 551 CA ILE A 37 3.128 4.330 1.376 1.00 0.00 C ATOM 552 C ILE A 37 2.436 3.012 1.687 1.00 0.00 C ATOM 553 O ILE A 37 2.851 2.269 2.576 1.00 0.00 O ATOM 554 CB ILE A 37 2.450 5.466 2.171 1.00 0.00 C ATOM 555 CG1 ILE A 37 3.180 6.789 1.936 1.00 0.00 C ATOM 556 CG2 ILE A 37 2.410 5.135 3.657 1.00 0.00 C ATOM 557 CD1 ILE A 37 2.452 7.718 0.994 1.00 0.00 C ATOM 0 H ILE A 37 2.503 5.359 -0.344 1.00 0.00 H new ATOM 0 HA ILE A 37 4.173 4.277 1.681 1.00 0.00 H new ATOM 0 HB ILE A 37 1.424 5.568 1.817 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.322 7.292 2.893 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.172 6.582 1.535 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.928 5.949 4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.847 4.214 3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.426 5.004 4.028 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.026 8.637 0.873 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.334 7.234 0.025 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.470 7.955 1.403 1.00 0.00 H new ATOM 569 N LEU A 38 1.386 2.727 0.934 1.00 0.00 N ATOM 570 CA LEU A 38 0.633 1.493 1.106 1.00 0.00 C ATOM 571 C LEU A 38 1.446 0.303 0.606 1.00 0.00 C ATOM 572 O LEU A 38 1.222 -0.835 1.017 1.00 0.00 O ATOM 573 CB LEU A 38 -0.706 1.578 0.361 1.00 0.00 C ATOM 574 CG LEU A 38 -1.383 0.233 0.069 1.00 0.00 C ATOM 575 CD1 LEU A 38 -2.873 0.304 0.364 1.00 0.00 C ATOM 576 CD2 LEU A 38 -1.145 -0.181 -1.376 1.00 0.00 C ATOM 0 H LEU A 38 1.034 3.335 0.195 1.00 0.00 H new ATOM 0 HA LEU A 38 0.430 1.353 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.391 2.190 0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.544 2.097 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.941 -0.520 0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.333 -0.661 0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.024 0.553 1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.331 1.071 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.632 -1.137 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.558 0.575 -2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.074 -0.278 -1.555 1.00 0.00 H new ATOM 588 N LYS A 39 2.393 0.579 -0.284 1.00 0.00 N ATOM 589 CA LYS A 39 3.242 -0.462 -0.843 1.00 0.00 C ATOM 590 C LYS A 39 4.286 -0.909 0.167 1.00 0.00 C ATOM 591 O LYS A 39 4.641 -2.085 0.229 1.00 0.00 O ATOM 592 CB LYS A 39 3.921 0.033 -2.121 1.00 0.00 C ATOM 593 CG LYS A 39 3.738 -0.900 -3.306 1.00 0.00 C ATOM 594 CD LYS A 39 3.362 -0.136 -4.566 1.00 0.00 C ATOM 595 CE LYS A 39 1.879 -0.263 -4.873 1.00 0.00 C ATOM 596 NZ LYS A 39 1.573 0.089 -6.287 1.00 0.00 N ATOM 0 H LYS A 39 2.591 1.517 -0.633 1.00 0.00 H new ATOM 0 HA LYS A 39 2.613 -1.318 -1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.523 1.015 -2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.987 0.161 -1.931 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.660 -1.456 -3.478 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.963 -1.631 -3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.621 0.916 -4.446 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.942 -0.513 -5.408 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.553 -1.284 -4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.313 0.388 -4.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.897 0.879 -6.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.449 0.369 -6.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.158 -0.735 -6.768 1.00 0.00 H new ATOM 610 N ARG A 40 4.767 0.034 0.961 1.00 0.00 N ATOM 611 CA ARG A 40 5.767 -0.269 1.978 1.00 0.00 C ATOM 612 C ARG A 40 5.118 -0.923 3.190 1.00 0.00 C ATOM 613 O ARG A 40 5.774 -1.635 3.951 1.00 0.00 O ATOM 614 CB ARG A 40 6.512 1.000 2.396 1.00 0.00 C ATOM 615 CG ARG A 40 7.000 1.834 1.222 1.00 0.00 C ATOM 616 CD ARG A 40 8.462 1.556 0.911 1.00 0.00 C ATOM 617 NE ARG A 40 8.697 0.149 0.593 1.00 0.00 N ATOM 618 CZ ARG A 40 8.302 -0.431 -0.538 1.00 0.00 C ATOM 619 NH1 ARG A 40 7.653 0.269 -1.460 1.00 0.00 N ATOM 620 NH2 ARG A 40 8.558 -1.715 -0.748 1.00 0.00 N ATOM 0 H ARG A 40 4.484 1.013 0.923 1.00 0.00 H new ATOM 0 HA ARG A 40 6.486 -0.968 1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.855 1.610 3.016 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.366 0.723 3.014 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.392 1.618 0.343 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.870 2.893 1.447 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.778 2.175 0.071 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.075 1.842 1.766 1.00 0.00 H new ATOM 0 HE ARG A 40 9.193 -0.422 1.278 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.454 1.257 -1.304 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.353 -0.181 -2.325 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.057 -2.257 -0.043 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.256 -2.160 -1.614 1.00 0.00 H new ATOM 634 N LEU A 41 3.824 -0.687 3.356 1.00 0.00 N ATOM 635 CA LEU A 41 3.080 -1.265 4.465 1.00 0.00 C ATOM 636 C LEU A 41 2.653 -2.691 4.136 1.00 0.00 C ATOM 637 O LEU A 41 2.375 -3.489 5.031 1.00 0.00 O ATOM 638 CB LEU A 41 1.857 -0.404 4.790 1.00 0.00 C ATOM 639 CG LEU A 41 2.009 0.499 6.015 1.00 0.00 C ATOM 640 CD1 LEU A 41 2.868 1.710 5.688 1.00 0.00 C ATOM 641 CD2 LEU A 41 0.644 0.936 6.526 1.00 0.00 C ATOM 0 H LEU A 41 3.268 -0.099 2.736 1.00 0.00 H new ATOM 0 HA LEU A 41 3.729 -1.293 5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.629 0.218 3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.000 -1.060 4.945 1.00 0.00 H new ATOM 0 HG LEU A 41 2.507 -0.070 6.800 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.963 2.339 6.573 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.857 1.380 5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.401 2.281 4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.770 1.578 7.398 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.121 1.486 5.743 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.061 0.058 6.803 1.00 0.00 H new ATOM 653 N LEU A 42 2.613 -3.008 2.845 1.00 0.00 N ATOM 654 CA LEU A 42 2.231 -4.341 2.399 1.00 0.00 C ATOM 655 C LEU A 42 3.398 -5.311 2.539 1.00 0.00 C ATOM 656 O LEU A 42 3.199 -6.522 2.642 1.00 0.00 O ATOM 657 CB LEU A 42 1.748 -4.299 0.947 1.00 0.00 C ATOM 658 CG LEU A 42 0.700 -5.352 0.574 1.00 0.00 C ATOM 659 CD1 LEU A 42 1.324 -6.738 0.540 1.00 0.00 C ATOM 660 CD2 LEU A 42 -0.473 -5.316 1.544 1.00 0.00 C ATOM 0 H LEU A 42 2.840 -2.360 2.091 1.00 0.00 H new ATOM 0 HA LEU A 42 1.414 -4.692 3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.333 -3.311 0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.610 -4.420 0.291 1.00 0.00 H new ATOM 0 HG LEU A 42 0.324 -5.119 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.564 -7.473 0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.124 -6.759 -0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.732 -6.978 1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.204 -6.072 1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.116 -5.518 2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.939 -4.331 1.515 1.00 0.00 H new ATOM 672 N ILE A 43 4.615 -4.776 2.553 1.00 0.00 N ATOM 673 CA ILE A 43 5.804 -5.607 2.694 1.00 0.00 C ATOM 674 C ILE A 43 5.974 -6.062 4.141 1.00 0.00 C ATOM 675 O ILE A 43 6.533 -7.125 4.406 1.00 0.00 O ATOM 676 CB ILE A 43 7.086 -4.873 2.244 1.00 0.00 C ATOM 677 CG1 ILE A 43 6.800 -3.956 1.051 1.00 0.00 C ATOM 678 CG2 ILE A 43 8.170 -5.880 1.889 1.00 0.00 C ATOM 679 CD1 ILE A 43 6.082 -4.646 -0.089 1.00 0.00 C ATOM 0 H ILE A 43 4.803 -3.777 2.469 1.00 0.00 H new ATOM 0 HA ILE A 43 5.659 -6.472 2.046 1.00 0.00 H new ATOM 0 HB ILE A 43 7.435 -4.255 3.071 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.199 -3.112 1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.742 -3.550 0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.069 -5.351 1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.397 -6.493 2.761 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.821 -6.519 1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.914 -3.934 -0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.690 -5.473 -0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.124 -5.028 0.263 1.00 0.00 H new ATOM 691 N ASN A 44 5.481 -5.250 5.074 1.00 0.00 N ATOM 692 CA ASN A 44 5.572 -5.571 6.494 1.00 0.00 C ATOM 693 C ASN A 44 4.320 -6.307 6.972 1.00 0.00 C ATOM 694 O ASN A 44 4.326 -6.926 8.036 1.00 0.00 O ATOM 695 CB ASN A 44 5.772 -4.296 7.313 1.00 0.00 C ATOM 696 CG ASN A 44 7.105 -3.631 7.032 1.00 0.00 C ATOM 697 OD1 ASN A 44 8.150 -4.086 7.498 1.00 0.00 O ATOM 698 ND2 ASN A 44 7.075 -2.546 6.267 1.00 0.00 N ATOM 0 H ASN A 44 5.015 -4.366 4.871 1.00 0.00 H new ATOM 0 HA ASN A 44 6.431 -6.227 6.637 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.966 -3.596 7.092 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.705 -4.535 8.374 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.941 -2.055 6.044 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.186 -2.204 5.902 1.00 0.00 H new ATOM 705 N LYS A 45 3.251 -6.229 6.175 1.00 0.00 N ATOM 706 CA LYS A 45 1.976 -6.880 6.489 1.00 0.00 C ATOM 707 C LYS A 45 1.663 -6.849 7.987 1.00 0.00 C ATOM 708 O LYS A 45 1.790 -7.854 8.685 1.00 0.00 O ATOM 709 CB LYS A 45 1.970 -8.322 5.964 1.00 0.00 C ATOM 710 CG LYS A 45 2.862 -9.279 6.743 1.00 0.00 C ATOM 711 CD LYS A 45 3.571 -10.259 5.822 1.00 0.00 C ATOM 712 CE LYS A 45 4.590 -9.558 4.938 1.00 0.00 C ATOM 713 NZ LYS A 45 5.871 -10.313 4.861 1.00 0.00 N ATOM 0 H LYS A 45 3.245 -5.713 5.295 1.00 0.00 H new ATOM 0 HA LYS A 45 1.190 -6.315 5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.948 -8.699 5.985 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.287 -8.317 4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.601 -8.710 7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.261 -9.829 7.467 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.070 -11.023 6.418 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.837 -10.769 5.198 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.179 -9.437 3.936 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.781 -8.558 5.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.539 -9.802 4.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.277 -10.407 5.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.693 -11.259 4.466 1.00 0.00 H new ATOM 727 N GLY A 46 1.245 -5.684 8.469 1.00 0.00 N ATOM 728 CA GLY A 46 0.911 -5.536 9.873 1.00 0.00 C ATOM 729 C GLY A 46 2.131 -5.584 10.770 1.00 0.00 C ATOM 730 O GLY A 46 2.607 -6.662 11.125 1.00 0.00 O ATOM 0 H GLY A 46 1.131 -4.838 7.911 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.392 -4.589 10.021 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.220 -6.327 10.164 1.00 0.00 H new ATOM 734 N GLN A 47 2.637 -4.412 11.138 1.00 0.00 N ATOM 735 CA GLN A 47 3.809 -4.325 12.000 1.00 0.00 C ATOM 736 C GLN A 47 3.828 -3.008 12.770 1.00 0.00 C ATOM 737 O GLN A 47 3.388 -1.975 12.264 1.00 0.00 O ATOM 738 CB GLN A 47 5.089 -4.465 11.171 1.00 0.00 C ATOM 739 CG GLN A 47 6.129 -5.373 11.807 1.00 0.00 C ATOM 740 CD GLN A 47 6.837 -6.249 10.791 1.00 0.00 C ATOM 741 OE1 GLN A 47 6.198 -6.911 9.973 1.00 0.00 O ATOM 742 NE2 GLN A 47 8.164 -6.256 10.839 1.00 0.00 N ATOM 0 H GLN A 47 2.254 -3.510 10.853 1.00 0.00 H new ATOM 0 HA GLN A 47 3.758 -5.142 12.720 1.00 0.00 H new ATOM 0 HB2 GLN A 47 4.833 -4.854 10.185 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.524 -3.477 11.021 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.865 -4.764 12.332 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.647 -6.005 12.553 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.652 -5.691 11.534 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.695 -6.826 10.181 1.00 0.00 H new ATOM 751 N LEU A 48 4.341 -3.054 13.995 1.00 0.00 N ATOM 752 CA LEU A 48 4.420 -1.866 14.837 1.00 0.00 C ATOM 753 C LEU A 48 5.513 -0.923 14.344 1.00 0.00 C ATOM 754 O LEU A 48 6.701 -1.177 14.543 1.00 0.00 O ATOM 755 CB LEU A 48 4.687 -2.263 16.291 1.00 0.00 C ATOM 756 CG LEU A 48 3.837 -1.530 17.331 1.00 0.00 C ATOM 757 CD1 LEU A 48 3.962 -0.024 17.157 1.00 0.00 C ATOM 758 CD2 LEU A 48 2.380 -1.964 17.231 1.00 0.00 C ATOM 0 H LEU A 48 4.708 -3.902 14.427 1.00 0.00 H new ATOM 0 HA LEU A 48 3.464 -1.345 14.781 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.517 -3.335 16.396 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.739 -2.084 16.513 1.00 0.00 H new ATOM 0 HG LEU A 48 4.205 -1.791 18.323 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.351 0.481 17.905 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.004 0.271 17.280 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.621 0.257 16.160 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.790 -1.433 17.978 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.999 -1.733 16.236 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.307 -3.037 17.407 1.00 0.00 H new ATOM 770 N CYS A 49 5.105 0.164 13.698 1.00 0.00 N ATOM 771 CA CYS A 49 6.052 1.142 13.177 1.00 0.00 C ATOM 772 C CYS A 49 5.442 2.541 13.161 1.00 0.00 C ATOM 773 O CYS A 49 4.805 2.939 12.186 1.00 0.00 O ATOM 774 CB CYS A 49 6.495 0.750 11.766 1.00 0.00 C ATOM 775 SG CYS A 49 7.240 -0.894 11.656 1.00 0.00 S ATOM 0 H CYS A 49 4.126 0.390 13.523 1.00 0.00 H new ATOM 0 HA CYS A 49 6.921 1.154 13.835 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.632 0.791 11.101 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.212 1.487 11.404 1.00 0.00 H new ATOM 0 HG CYS A 49 7.201 -1.467 12.822 1.00 0.00 H new ATOM 781 N LEU A 50 5.641 3.280 14.249 1.00 0.00 N ATOM 782 CA LEU A 50 5.111 4.638 14.366 1.00 0.00 C ATOM 783 C LEU A 50 5.447 5.469 13.129 1.00 0.00 C ATOM 784 O LEU A 50 6.156 5.011 12.234 1.00 0.00 O ATOM 785 CB LEU A 50 5.635 5.333 15.634 1.00 0.00 C ATOM 786 CG LEU A 50 7.123 5.139 15.964 1.00 0.00 C ATOM 787 CD1 LEU A 50 7.341 3.857 16.755 1.00 0.00 C ATOM 788 CD2 LEU A 50 7.974 5.144 14.702 1.00 0.00 C ATOM 0 H LEU A 50 6.166 2.962 15.064 1.00 0.00 H new ATOM 0 HA LEU A 50 4.027 4.559 14.443 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.444 6.402 15.539 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.050 4.979 16.482 1.00 0.00 H new ATOM 0 HG LEU A 50 7.437 5.980 16.582 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.402 3.742 16.976 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.779 3.905 17.688 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.998 3.005 16.168 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.022 5.005 14.969 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.656 4.334 14.046 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.855 6.097 14.186 1.00 0.00 H new ATOM 800 N ARG A 51 4.916 6.687 13.080 1.00 0.00 N ATOM 801 CA ARG A 51 5.139 7.579 11.944 1.00 0.00 C ATOM 802 C ARG A 51 6.617 7.735 11.619 1.00 0.00 C ATOM 803 O ARG A 51 7.021 7.627 10.462 1.00 0.00 O ATOM 804 CB ARG A 51 4.512 8.950 12.209 1.00 0.00 C ATOM 805 CG ARG A 51 4.966 9.593 13.510 1.00 0.00 C ATOM 806 CD ARG A 51 4.296 10.941 13.726 1.00 0.00 C ATOM 807 NE ARG A 51 3.860 11.123 15.109 1.00 0.00 N ATOM 808 CZ ARG A 51 3.576 12.307 15.646 1.00 0.00 C ATOM 809 NH1 ARG A 51 3.682 13.415 14.923 1.00 0.00 N ATOM 810 NH2 ARG A 51 3.184 12.384 16.911 1.00 0.00 N ATOM 0 H ARG A 51 4.327 7.080 13.814 1.00 0.00 H new ATOM 0 HA ARG A 51 4.658 7.123 11.078 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.755 9.616 11.381 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.427 8.846 12.226 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.734 8.932 14.345 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.048 9.721 13.496 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.990 11.737 13.457 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.437 11.029 13.061 1.00 0.00 H new ATOM 0 HE ARG A 51 3.768 10.294 15.697 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.983 13.362 13.950 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.463 14.319 15.341 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.100 11.536 17.472 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.966 13.291 17.323 1.00 0.00 H new ATOM 824 N LYS A 52 7.414 7.998 12.639 1.00 0.00 N ATOM 825 CA LYS A 52 8.853 8.184 12.461 1.00 0.00 C ATOM 826 C LYS A 52 9.483 6.999 11.753 1.00 0.00 C ATOM 827 O LYS A 52 10.526 7.125 11.112 1.00 0.00 O ATOM 828 CB LYS A 52 9.538 8.424 13.807 1.00 0.00 C ATOM 829 CG LYS A 52 10.790 9.281 13.709 1.00 0.00 C ATOM 830 CD LYS A 52 10.938 10.194 14.915 1.00 0.00 C ATOM 831 CE LYS A 52 11.956 9.651 15.905 1.00 0.00 C ATOM 832 NZ LYS A 52 11.306 8.898 17.013 1.00 0.00 N ATOM 0 H LYS A 52 7.094 8.089 13.603 1.00 0.00 H new ATOM 0 HA LYS A 52 8.995 9.064 11.834 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.831 8.904 14.484 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.800 7.462 14.249 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.667 8.638 13.629 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.751 9.881 12.800 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.244 11.187 14.585 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.973 10.305 15.409 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.656 8.998 15.384 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.536 10.476 16.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.034 8.544 17.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.657 9.528 17.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.773 8.095 16.621 1.00 0.00 H new ATOM 846 N HIS A 53 8.835 5.859 11.853 1.00 0.00 N ATOM 847 CA HIS A 53 9.314 4.658 11.205 1.00 0.00 C ATOM 848 C HIS A 53 8.720 4.561 9.814 1.00 0.00 C ATOM 849 O HIS A 53 9.339 4.034 8.890 1.00 0.00 O ATOM 850 CB HIS A 53 8.926 3.447 12.032 1.00 0.00 C ATOM 851 CG HIS A 53 9.657 2.196 11.655 1.00 0.00 C ATOM 852 ND1 HIS A 53 10.351 2.058 10.471 1.00 0.00 N ATOM 853 CD2 HIS A 53 9.802 1.021 12.313 1.00 0.00 C ATOM 854 CE1 HIS A 53 10.891 0.854 10.417 1.00 0.00 C ATOM 855 NE2 HIS A 53 10.573 0.205 11.522 1.00 0.00 N ATOM 0 H HIS A 53 7.970 5.739 12.380 1.00 0.00 H new ATOM 0 HA HIS A 53 10.400 4.693 11.121 1.00 0.00 H new ATOM 0 HB2 HIS A 53 9.113 3.663 13.084 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.855 3.276 11.927 1.00 0.00 H new ATOM 0 HD1 HIS A 53 10.434 2.774 9.750 1.00 0.00 H new ATOM 0 HD2 HIS A 53 9.389 0.772 13.279 1.00 0.00 H new ATOM 0 HE1 HIS A 53 11.491 0.466 9.607 1.00 0.00 H new ATOM 864 N LEU A 54 7.517 5.098 9.677 1.00 0.00 N ATOM 865 CA LEU A 54 6.829 5.103 8.403 1.00 0.00 C ATOM 866 C LEU A 54 7.539 6.035 7.441 1.00 0.00 C ATOM 867 O LEU A 54 7.714 5.717 6.268 1.00 0.00 O ATOM 868 CB LEU A 54 5.370 5.530 8.582 1.00 0.00 C ATOM 869 CG LEU A 54 4.342 4.630 7.893 1.00 0.00 C ATOM 870 CD1 LEU A 54 4.508 4.688 6.382 1.00 0.00 C ATOM 871 CD2 LEU A 54 4.470 3.198 8.391 1.00 0.00 C ATOM 0 H LEU A 54 6.999 5.537 10.438 1.00 0.00 H new ATOM 0 HA LEU A 54 6.840 4.093 7.992 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.145 5.562 9.648 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.255 6.545 8.201 1.00 0.00 H new ATOM 0 HG LEU A 54 3.345 4.993 8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.768 4.042 5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.366 5.713 6.039 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.509 4.351 6.113 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.732 2.571 7.891 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.470 2.825 8.172 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.300 3.170 9.467 1.00 0.00 H new ATOM 883 N LEU A 55 7.957 7.185 7.953 1.00 0.00 N ATOM 884 CA LEU A 55 8.662 8.163 7.130 1.00 0.00 C ATOM 885 C LEU A 55 9.985 7.603 6.621 1.00 0.00 C ATOM 886 O LEU A 55 10.545 8.106 5.648 1.00 0.00 O ATOM 887 CB LEU A 55 8.907 9.471 7.891 1.00 0.00 C ATOM 888 CG LEU A 55 9.205 9.336 9.388 1.00 0.00 C ATOM 889 CD1 LEU A 55 10.679 9.569 9.672 1.00 0.00 C ATOM 890 CD2 LEU A 55 8.341 10.303 10.185 1.00 0.00 C ATOM 0 H LEU A 55 7.823 7.463 8.925 1.00 0.00 H new ATOM 0 HA LEU A 55 8.021 8.380 6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.742 9.990 7.421 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.029 10.106 7.772 1.00 0.00 H new ATOM 0 HG LEU A 55 8.963 8.319 9.697 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.864 9.467 10.741 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.275 8.835 9.129 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.958 10.572 9.349 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.562 10.198 11.247 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.553 11.325 9.870 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.289 10.080 10.009 1.00 0.00 H new ATOM 902 N GLU A 56 10.484 6.561 7.278 1.00 0.00 N ATOM 903 CA GLU A 56 11.743 5.946 6.875 1.00 0.00 C ATOM 904 C GLU A 56 11.545 5.016 5.682 1.00 0.00 C ATOM 905 O GLU A 56 12.488 4.733 4.943 1.00 0.00 O ATOM 906 CB GLU A 56 12.363 5.178 8.043 1.00 0.00 C ATOM 907 CG GLU A 56 13.008 6.076 9.086 1.00 0.00 C ATOM 908 CD GLU A 56 14.172 5.407 9.791 1.00 0.00 C ATOM 909 OE1 GLU A 56 15.126 4.992 9.100 1.00 0.00 O ATOM 910 OE2 GLU A 56 14.130 5.299 11.035 1.00 0.00 O ATOM 0 H GLU A 56 10.039 6.127 8.087 1.00 0.00 H new ATOM 0 HA GLU A 56 12.423 6.744 6.576 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.591 4.575 8.522 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.112 4.488 7.656 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.355 6.991 8.607 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.260 6.366 9.823 1.00 0.00 H new ATOM 917 N GLU A 57 10.317 4.548 5.494 1.00 0.00 N ATOM 918 CA GLU A 57 10.007 3.657 4.381 1.00 0.00 C ATOM 919 C GLU A 57 9.590 4.453 3.153 1.00 0.00 C ATOM 920 O GLU A 57 9.732 3.987 2.022 1.00 0.00 O ATOM 921 CB GLU A 57 8.912 2.663 4.774 1.00 0.00 C ATOM 922 CG GLU A 57 9.420 1.242 4.959 1.00 0.00 C ATOM 923 CD GLU A 57 9.241 0.736 6.377 1.00 0.00 C ATOM 924 OE1 GLU A 57 8.117 0.847 6.909 1.00 0.00 O ATOM 925 OE2 GLU A 57 10.225 0.227 6.955 1.00 0.00 O ATOM 0 H GLU A 57 9.522 4.769 6.094 1.00 0.00 H new ATOM 0 HA GLU A 57 10.908 3.096 4.134 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.445 2.997 5.701 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.137 2.666 4.007 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.893 0.580 4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.476 1.201 4.694 1.00 0.00 H new ATOM 932 N ILE A 58 9.100 5.664 3.377 1.00 0.00 N ATOM 933 CA ILE A 58 8.697 6.527 2.278 1.00 0.00 C ATOM 934 C ILE A 58 9.892 7.338 1.795 1.00 0.00 C ATOM 935 O ILE A 58 9.933 7.782 0.649 1.00 0.00 O ATOM 936 CB ILE A 58 7.550 7.484 2.664 1.00 0.00 C ATOM 937 CG1 ILE A 58 6.573 6.805 3.626 1.00 0.00 C ATOM 938 CG2 ILE A 58 6.821 7.955 1.415 1.00 0.00 C ATOM 939 CD1 ILE A 58 5.852 5.617 3.026 1.00 0.00 C ATOM 0 H ILE A 58 8.973 6.069 4.305 1.00 0.00 H new ATOM 0 HA ILE A 58 8.329 5.880 1.482 1.00 0.00 H new ATOM 0 HB ILE A 58 7.979 8.348 3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.118 6.478 4.512 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.836 7.537 3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.013 8.630 1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.519 8.478 0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.407 7.095 0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.177 5.188 3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.278 5.940 2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.580 4.866 2.721 1.00 0.00 H new ATOM 951 N LYS A 59 10.876 7.506 2.677 1.00 0.00 N ATOM 952 CA LYS A 59 12.086 8.240 2.338 1.00 0.00 C ATOM 953 C LYS A 59 12.976 7.388 1.443 1.00 0.00 C ATOM 954 O LYS A 59 13.709 7.908 0.601 1.00 0.00 O ATOM 955 CB LYS A 59 12.844 8.642 3.605 1.00 0.00 C ATOM 956 CG LYS A 59 13.839 9.769 3.387 1.00 0.00 C ATOM 957 CD LYS A 59 13.255 11.114 3.787 1.00 0.00 C ATOM 958 CE LYS A 59 14.152 12.263 3.356 1.00 0.00 C ATOM 959 NZ LYS A 59 15.478 12.217 4.032 1.00 0.00 N ATOM 0 H LYS A 59 10.856 7.143 3.630 1.00 0.00 H new ATOM 0 HA LYS A 59 11.805 9.147 1.802 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.126 8.945 4.367 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.373 7.772 3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.741 9.576 3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.134 9.797 2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.270 11.232 3.336 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.117 11.145 4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.294 12.227 2.276 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.662 13.210 3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.047 13.036 3.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.343 12.243 5.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.971 11.340 3.769 1.00 0.00 H new ATOM 973 N ASN A 60 12.898 6.069 1.623 1.00 0.00 N ATOM 974 CA ASN A 60 13.684 5.144 0.826 1.00 0.00 C ATOM 975 C ASN A 60 12.885 4.670 -0.385 1.00 0.00 C ATOM 976 O ASN A 60 12.907 3.489 -0.735 1.00 0.00 O ATOM 977 CB ASN A 60 14.117 3.946 1.673 1.00 0.00 C ATOM 978 CG ASN A 60 15.126 3.068 0.960 1.00 0.00 C ATOM 979 OD1 ASN A 60 15.901 3.542 0.129 1.00 0.00 O ATOM 980 ND2 ASN A 60 15.123 1.780 1.282 1.00 0.00 N ATOM 0 H ASN A 60 12.296 5.623 2.316 1.00 0.00 H new ATOM 0 HA ASN A 60 14.575 5.664 0.474 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.547 4.303 2.609 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.241 3.352 1.931 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.781 1.141 0.835 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.463 1.429 1.976 1.00 0.00 H new ATOM 987 N HIS A 61 12.175 5.600 -1.016 1.00 0.00 N ATOM 988 CA HIS A 61 11.361 5.287 -2.182 1.00 0.00 C ATOM 989 C HIS A 61 10.815 6.563 -2.817 1.00 0.00 C ATOM 990 O HIS A 61 10.803 6.705 -4.040 1.00 0.00 O ATOM 991 CB HIS A 61 10.208 4.363 -1.787 1.00 0.00 C ATOM 992 CG HIS A 61 9.659 3.566 -2.930 1.00 0.00 C ATOM 993 ND1 HIS A 61 10.447 2.785 -3.750 1.00 0.00 N ATOM 994 CD2 HIS A 61 8.392 3.429 -3.387 1.00 0.00 C ATOM 995 CE1 HIS A 61 9.688 2.204 -4.662 1.00 0.00 C ATOM 996 NE2 HIS A 61 8.437 2.577 -4.463 1.00 0.00 N ATOM 0 H HIS A 61 12.148 6.581 -0.737 1.00 0.00 H new ATOM 0 HA HIS A 61 11.989 4.779 -2.913 1.00 0.00 H new ATOM 0 HB2 HIS A 61 10.551 3.680 -1.010 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.406 4.961 -1.354 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.510 3.902 -2.981 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.032 1.537 -5.439 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.634 2.280 -5.018 1.00 0.00 H new ATOM 1005 N ALA A 62 10.366 7.489 -1.975 1.00 0.00 N ATOM 1006 CA ALA A 62 9.820 8.758 -2.444 1.00 0.00 C ATOM 1007 C ALA A 62 9.433 9.650 -1.270 1.00 0.00 C ATOM 1008 O ALA A 62 8.347 9.513 -0.708 1.00 0.00 O ATOM 1009 CB ALA A 62 8.617 8.519 -3.345 1.00 0.00 C ATOM 0 H ALA A 62 10.370 7.383 -0.960 1.00 0.00 H new ATOM 0 HA ALA A 62 10.593 9.267 -3.020 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.222 9.476 -3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.920 7.924 -4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.846 7.986 -2.789 1.00 0.00 H new ATOM 1015 N LYS A 63 10.329 10.559 -0.900 1.00 0.00 N ATOM 1016 CA LYS A 63 10.082 11.471 0.213 1.00 0.00 C ATOM 1017 C LYS A 63 8.984 12.473 -0.132 1.00 0.00 C ATOM 1018 O LYS A 63 9.231 13.676 -0.220 1.00 0.00 O ATOM 1019 CB LYS A 63 11.368 12.212 0.585 1.00 0.00 C ATOM 1020 CG LYS A 63 11.986 12.977 -0.576 1.00 0.00 C ATOM 1021 CD LYS A 63 12.117 14.459 -0.264 1.00 0.00 C ATOM 1022 CE LYS A 63 12.771 15.213 -1.410 1.00 0.00 C ATOM 1023 NZ LYS A 63 14.235 15.386 -1.198 1.00 0.00 N ATOM 0 H LYS A 63 11.234 10.684 -1.354 1.00 0.00 H new ATOM 0 HA LYS A 63 9.750 10.880 1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.155 12.908 1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.095 11.494 0.964 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.969 12.564 -0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.372 12.845 -1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.131 14.879 -0.066 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.707 14.590 0.643 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.600 14.675 -2.343 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.302 16.191 -1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.643 15.905 -2.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.398 15.921 -0.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.688 14.453 -1.123 1.00 0.00 H new ATOM 1092 N ARG A 68 4.039 17.820 2.026 1.00 0.00 N ATOM 1093 CA ARG A 68 4.999 18.373 2.975 1.00 0.00 C ATOM 1094 C ARG A 68 5.449 17.327 3.995 1.00 0.00 C ATOM 1095 O ARG A 68 6.474 17.497 4.655 1.00 0.00 O ATOM 1096 CB ARG A 68 4.394 19.580 3.696 1.00 0.00 C ATOM 1097 CG ARG A 68 4.965 20.911 3.235 1.00 0.00 C ATOM 1098 CD ARG A 68 4.018 22.061 3.542 1.00 0.00 C ATOM 1099 NE ARG A 68 4.731 23.242 4.024 1.00 0.00 N ATOM 1100 CZ ARG A 68 4.220 24.471 4.015 1.00 0.00 C ATOM 1101 NH1 ARG A 68 2.996 24.686 3.551 1.00 0.00 N ATOM 1102 NH2 ARG A 68 4.937 25.490 4.472 1.00 0.00 N ATOM 0 HA ARG A 68 5.876 18.691 2.411 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.315 19.583 3.540 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.561 19.474 4.768 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.923 21.086 3.725 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.158 20.873 2.163 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.456 22.318 2.644 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.293 21.744 4.292 1.00 0.00 H new ATOM 0 HE ARG A 68 5.675 23.117 4.389 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.440 23.907 3.198 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.611 25.630 3.547 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.879 25.331 4.830 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.546 26.432 4.465 1.00 0.00 H new ATOM 1116 N ASN A 69 4.682 16.248 4.124 1.00 0.00 N ATOM 1117 CA ASN A 69 5.015 15.188 5.070 1.00 0.00 C ATOM 1118 C ASN A 69 4.313 13.883 4.704 1.00 0.00 C ATOM 1119 O ASN A 69 3.626 13.801 3.686 1.00 0.00 O ATOM 1120 CB ASN A 69 4.631 15.606 6.490 1.00 0.00 C ATOM 1121 CG ASN A 69 3.167 15.984 6.605 1.00 0.00 C ATOM 1122 OD1 ASN A 69 2.284 15.131 6.516 1.00 0.00 O ATOM 1123 ND2 ASN A 69 2.903 17.271 6.803 1.00 0.00 N ATOM 0 H ASN A 69 3.830 16.085 3.588 1.00 0.00 H new ATOM 0 HA ASN A 69 6.091 15.022 5.024 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.847 14.788 7.178 1.00 0.00 H new ATOM 0 HB3 ASN A 69 5.247 16.452 6.796 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.937 17.586 6.888 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.667 17.944 6.871 1.00 0.00 H new ATOM 1130 N VAL A 70 4.490 12.867 5.544 1.00 0.00 N ATOM 1131 CA VAL A 70 3.870 11.564 5.308 1.00 0.00 C ATOM 1132 C VAL A 70 2.495 11.480 5.958 1.00 0.00 C ATOM 1133 O VAL A 70 1.628 10.736 5.502 1.00 0.00 O ATOM 1134 CB VAL A 70 4.740 10.393 5.823 1.00 0.00 C ATOM 1135 CG1 VAL A 70 5.630 9.863 4.711 1.00 0.00 C ATOM 1136 CG2 VAL A 70 5.574 10.809 7.027 1.00 0.00 C ATOM 0 H VAL A 70 5.055 12.919 6.391 1.00 0.00 H new ATOM 0 HA VAL A 70 3.772 11.471 4.226 1.00 0.00 H new ATOM 0 HB VAL A 70 4.071 9.595 6.144 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.235 9.040 5.091 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.011 9.508 3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.283 10.660 4.357 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.173 9.963 7.364 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.232 11.632 6.747 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.914 11.130 7.833 1.00 0.00 H new ATOM 1146 N ASP A 71 2.301 12.247 7.022 1.00 0.00 N ATOM 1147 CA ASP A 71 1.025 12.258 7.730 1.00 0.00 C ATOM 1148 C ASP A 71 -0.106 12.622 6.786 1.00 0.00 C ATOM 1149 O ASP A 71 -1.019 11.830 6.551 1.00 0.00 O ATOM 1150 CB ASP A 71 1.074 13.237 8.905 1.00 0.00 C ATOM 1151 CG ASP A 71 1.158 12.530 10.244 1.00 0.00 C ATOM 1152 OD1 ASP A 71 1.762 11.438 10.302 1.00 0.00 O ATOM 1153 OD2 ASP A 71 0.620 13.068 11.234 1.00 0.00 O ATOM 0 H ASP A 71 3.008 12.869 7.414 1.00 0.00 H new ATOM 0 HA ASP A 71 0.840 11.257 8.120 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.935 13.895 8.790 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.186 13.868 8.886 1.00 0.00 H new ATOM 1158 N VAL A 72 -0.025 13.818 6.236 1.00 0.00 N ATOM 1159 CA VAL A 72 -1.029 14.293 5.296 1.00 0.00 C ATOM 1160 C VAL A 72 -1.064 13.403 4.058 1.00 0.00 C ATOM 1161 O VAL A 72 -2.049 13.382 3.320 1.00 0.00 O ATOM 1162 CB VAL A 72 -0.760 15.747 4.867 1.00 0.00 C ATOM 1163 CG1 VAL A 72 -1.909 16.277 4.023 1.00 0.00 C ATOM 1164 CG2 VAL A 72 -0.533 16.629 6.085 1.00 0.00 C ATOM 0 H VAL A 72 0.726 14.482 6.423 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.992 14.254 5.805 1.00 0.00 H new ATOM 0 HB VAL A 72 0.145 15.766 4.259 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.700 17.306 3.730 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.020 15.661 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.831 16.245 4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.344 17.653 5.763 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.418 16.606 6.721 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.326 16.261 6.646 1.00 0.00 H new ATOM 1174 N HIS A 73 0.021 12.662 3.843 1.00 0.00 N ATOM 1175 CA HIS A 73 0.123 11.761 2.703 1.00 0.00 C ATOM 1176 C HIS A 73 -0.648 10.474 2.965 1.00 0.00 C ATOM 1177 O HIS A 73 -1.153 9.841 2.038 1.00 0.00 O ATOM 1178 CB HIS A 73 1.591 11.445 2.406 1.00 0.00 C ATOM 1179 CG HIS A 73 2.014 11.805 1.016 1.00 0.00 C ATOM 1180 ND1 HIS A 73 1.637 11.085 -0.097 1.00 0.00 N ATOM 1181 CD2 HIS A 73 2.791 12.817 0.561 1.00 0.00 C ATOM 1182 CE1 HIS A 73 2.163 11.636 -1.176 1.00 0.00 C ATOM 1183 NE2 HIS A 73 2.868 12.689 -0.804 1.00 0.00 N ATOM 0 H HIS A 73 0.843 12.670 4.447 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.314 12.255 1.835 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.220 11.980 3.118 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.764 10.381 2.565 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.262 13.582 1.160 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.038 11.285 -2.190 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.386 13.307 -1.429 1.00 0.00 H new ATOM 1192 N ILE A 74 -0.737 10.096 4.233 1.00 0.00 N ATOM 1193 CA ILE A 74 -1.451 8.886 4.618 1.00 0.00 C ATOM 1194 C ILE A 74 -2.956 9.104 4.545 1.00 0.00 C ATOM 1195 O ILE A 74 -3.713 8.194 4.206 1.00 0.00 O ATOM 1196 CB ILE A 74 -1.065 8.425 6.040 1.00 0.00 C ATOM 1197 CG1 ILE A 74 0.433 8.124 6.112 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -1.876 7.202 6.453 1.00 0.00 C ATOM 1199 CD1 ILE A 74 1.075 8.556 7.412 1.00 0.00 C ATOM 0 H ILE A 74 -0.324 10.609 5.012 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.164 8.105 3.914 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.293 9.233 6.736 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.587 7.053 5.979 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.936 8.624 5.284 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.586 6.896 7.458 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.938 7.448 6.440 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.685 6.386 5.756 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.137 8.311 7.392 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.953 9.632 7.538 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.598 8.037 8.243 1.00 0.00 H new ATOM 1211 N ALA A 75 -3.377 10.319 4.856 1.00 0.00 N ATOM 1212 CA ALA A 75 -4.788 10.670 4.820 1.00 0.00 C ATOM 1213 C ALA A 75 -5.274 10.782 3.385 1.00 0.00 C ATOM 1214 O ALA A 75 -6.443 10.530 3.090 1.00 0.00 O ATOM 1215 CB ALA A 75 -5.035 11.968 5.574 1.00 0.00 C ATOM 0 H ALA A 75 -2.760 11.081 5.137 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.352 9.877 5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.096 12.214 5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.727 11.850 6.613 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.459 12.771 5.114 1.00 0.00 H new ATOM 1221 N SER A 76 -4.364 11.146 2.493 1.00 0.00 N ATOM 1222 CA SER A 76 -4.692 11.273 1.081 1.00 0.00 C ATOM 1223 C SER A 76 -4.942 9.901 0.476 1.00 0.00 C ATOM 1224 O SER A 76 -5.693 9.760 -0.488 1.00 0.00 O ATOM 1225 CB SER A 76 -3.567 11.987 0.328 1.00 0.00 C ATOM 1226 OG SER A 76 -3.461 13.341 0.733 1.00 0.00 O ATOM 0 H SER A 76 -3.393 11.358 2.722 1.00 0.00 H new ATOM 0 HA SER A 76 -5.600 11.870 0.989 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.622 11.475 0.509 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.755 11.939 -0.745 1.00 0.00 H new ATOM 0 HG SER A 76 -2.982 13.391 1.586 1.00 0.00 H new ATOM 1232 N LEU A 77 -4.315 8.887 1.063 1.00 0.00 N ATOM 1233 CA LEU A 77 -4.479 7.521 0.595 1.00 0.00 C ATOM 1234 C LEU A 77 -5.919 7.080 0.764 1.00 0.00 C ATOM 1235 O LEU A 77 -6.460 6.339 -0.054 1.00 0.00 O ATOM 1236 CB LEU A 77 -3.557 6.578 1.362 1.00 0.00 C ATOM 1237 CG LEU A 77 -2.267 6.212 0.633 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -1.103 7.028 1.172 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -1.990 4.722 0.760 1.00 0.00 C ATOM 0 H LEU A 77 -3.690 8.988 1.863 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.216 7.486 -0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.301 7.039 2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.103 5.662 1.587 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.386 6.447 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.191 6.755 0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.304 8.089 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.979 6.826 2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.067 4.477 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.889 4.459 1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.816 4.160 0.323 1.00 0.00 H new ATOM 1251 N ARG A 78 -6.534 7.547 1.835 1.00 0.00 N ATOM 1252 CA ARG A 78 -7.913 7.214 2.122 1.00 0.00 C ATOM 1253 C ARG A 78 -8.819 7.648 0.977 1.00 0.00 C ATOM 1254 O ARG A 78 -9.892 7.081 0.769 1.00 0.00 O ATOM 1255 CB ARG A 78 -8.345 7.887 3.424 1.00 0.00 C ATOM 1256 CG ARG A 78 -8.114 7.032 4.659 1.00 0.00 C ATOM 1257 CD ARG A 78 -9.362 6.255 5.041 1.00 0.00 C ATOM 1258 NE ARG A 78 -9.929 6.717 6.306 1.00 0.00 N ATOM 1259 CZ ARG A 78 -11.190 6.502 6.677 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -12.017 5.829 5.887 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -11.624 6.960 7.843 1.00 0.00 N ATOM 0 H ARG A 78 -6.096 8.161 2.522 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.998 6.133 2.233 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.801 8.825 3.536 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.404 8.138 3.359 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.295 6.338 4.474 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.811 7.668 5.491 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.107 6.355 4.252 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.120 5.195 5.118 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.323 7.235 6.943 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.688 5.473 4.990 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.981 5.668 6.177 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.992 7.477 8.455 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.590 6.796 8.128 1.00 0.00 H new ATOM 1275 N LYS A 79 -8.377 8.659 0.240 1.00 0.00 N ATOM 1276 CA LYS A 79 -9.144 9.178 -0.885 1.00 0.00 C ATOM 1277 C LYS A 79 -8.779 8.482 -2.187 1.00 0.00 C ATOM 1278 O LYS A 79 -9.647 8.007 -2.919 1.00 0.00 O ATOM 1279 CB LYS A 79 -8.934 10.687 -1.022 1.00 0.00 C ATOM 1280 CG LYS A 79 -9.940 11.362 -1.940 1.00 0.00 C ATOM 1281 CD LYS A 79 -9.300 12.483 -2.741 1.00 0.00 C ATOM 1282 CE LYS A 79 -9.555 13.840 -2.105 1.00 0.00 C ATOM 1283 NZ LYS A 79 -8.877 14.938 -2.846 1.00 0.00 N ATOM 0 H LYS A 79 -7.490 9.136 0.401 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.196 8.977 -0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.992 11.144 -0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.929 10.872 -1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.365 10.624 -2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.764 11.761 -1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.226 12.311 -2.815 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.695 12.477 -3.757 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.628 14.031 -2.075 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.205 13.829 -1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.076 15.846 -2.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.851 14.770 -2.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.230 14.966 -3.824 1.00 0.00 H new ATOM 1297 N LYS A 80 -7.492 8.444 -2.471 1.00 0.00 N ATOM 1298 CA LYS A 80 -6.993 7.827 -3.691 1.00 0.00 C ATOM 1299 C LYS A 80 -6.991 6.310 -3.586 1.00 0.00 C ATOM 1300 O LYS A 80 -7.535 5.612 -4.442 1.00 0.00 O ATOM 1301 CB LYS A 80 -5.587 8.340 -4.004 1.00 0.00 C ATOM 1302 CG LYS A 80 -5.555 9.372 -5.119 1.00 0.00 C ATOM 1303 CD LYS A 80 -6.379 10.600 -4.766 1.00 0.00 C ATOM 1304 CE LYS A 80 -6.561 11.514 -5.967 1.00 0.00 C ATOM 1305 NZ LYS A 80 -5.287 11.716 -6.711 1.00 0.00 N ATOM 0 H LYS A 80 -6.766 8.835 -1.871 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.663 8.103 -4.505 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.159 8.777 -3.102 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.954 7.497 -4.281 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.524 9.668 -5.313 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.937 8.928 -6.038 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.355 10.289 -4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.890 11.148 -3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.309 11.089 -6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.943 12.479 -5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.253 12.686 -7.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.483 11.564 -6.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.234 11.039 -7.499 1.00 0.00 H new ATOM 1319 N LEU A 81 -6.375 5.813 -2.532 1.00 0.00 N ATOM 1320 CA LEU A 81 -6.291 4.376 -2.297 1.00 0.00 C ATOM 1321 C LEU A 81 -7.675 3.785 -2.043 1.00 0.00 C ATOM 1322 O LEU A 81 -8.189 3.012 -2.852 1.00 0.00 O ATOM 1323 CB LEU A 81 -5.373 4.080 -1.104 1.00 0.00 C ATOM 1324 CG LEU A 81 -4.495 2.826 -1.230 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -5.113 1.811 -2.183 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -3.090 3.202 -1.684 1.00 0.00 C ATOM 0 H LEU A 81 -5.921 6.383 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.873 3.913 -3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.723 4.941 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.990 3.980 -0.211 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.430 2.362 -0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.468 0.935 -2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.093 1.512 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.221 2.259 -3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.482 2.302 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.141 3.697 -2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.641 3.877 -0.955 1.00 0.00 H new ATOM 1338 N GLY A 82 -8.271 4.152 -0.913 1.00 0.00 N ATOM 1339 CA GLY A 82 -9.588 3.649 -0.570 1.00 0.00 C ATOM 1340 C GLY A 82 -9.582 2.837 0.710 1.00 0.00 C ATOM 1341 O GLY A 82 -9.008 3.255 1.716 1.00 0.00 O ATOM 0 H GLY A 82 -7.865 4.789 -0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.277 4.487 -0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.962 3.032 -1.387 1.00 0.00 H new ATOM 1345 N ALA A 83 -10.222 1.673 0.673 1.00 0.00 N ATOM 1346 CA ALA A 83 -10.289 0.798 1.838 1.00 0.00 C ATOM 1347 C ALA A 83 -8.913 0.239 2.197 1.00 0.00 C ATOM 1348 O ALA A 83 -8.718 -0.296 3.288 1.00 0.00 O ATOM 1349 CB ALA A 83 -11.271 -0.336 1.587 1.00 0.00 C ATOM 0 H ALA A 83 -10.702 1.313 -0.152 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.638 1.391 2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.312 -0.982 2.464 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.261 0.076 1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.944 -0.916 0.724 1.00 0.00 H new ATOM 1355 N TYR A 84 -7.961 0.366 1.275 1.00 0.00 N ATOM 1356 CA TYR A 84 -6.608 -0.127 1.501 1.00 0.00 C ATOM 1357 C TYR A 84 -5.744 0.955 2.136 1.00 0.00 C ATOM 1358 O TYR A 84 -4.949 0.681 3.035 1.00 0.00 O ATOM 1359 CB TYR A 84 -5.980 -0.596 0.184 1.00 0.00 C ATOM 1360 CG TYR A 84 -6.966 -1.233 -0.774 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -8.029 -1.996 -0.304 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -6.834 -1.069 -2.147 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -8.930 -2.577 -1.176 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -7.731 -1.646 -3.025 1.00 0.00 C ATOM 1365 CZ TYR A 84 -8.777 -2.399 -2.535 1.00 0.00 C ATOM 1366 OH TYR A 84 -9.673 -2.975 -3.406 1.00 0.00 O ATOM 0 H TYR A 84 -8.103 0.806 0.366 1.00 0.00 H new ATOM 0 HA TYR A 84 -6.664 -0.975 2.183 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.510 0.256 -0.307 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.189 -1.312 0.405 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.153 -2.137 0.760 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.016 -0.480 -2.535 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.750 -3.168 -0.795 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.614 -1.508 -4.090 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.576 -2.568 -4.292 1.00 0.00 H new ATOM 1376 N GLY A 85 -5.911 2.190 1.669 1.00 0.00 N ATOM 1377 CA GLY A 85 -5.144 3.296 2.214 1.00 0.00 C ATOM 1378 C GLY A 85 -5.326 3.424 3.710 1.00 0.00 C ATOM 1379 O GLY A 85 -4.405 3.812 4.427 1.00 0.00 O ATOM 0 H GLY A 85 -6.562 2.443 0.925 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.088 3.152 1.988 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.450 4.224 1.730 1.00 0.00 H new ATOM 1383 N SER A 86 -6.520 3.079 4.183 1.00 0.00 N ATOM 1384 CA SER A 86 -6.823 3.138 5.606 1.00 0.00 C ATOM 1385 C SER A 86 -6.001 2.107 6.375 1.00 0.00 C ATOM 1386 O SER A 86 -5.919 2.156 7.603 1.00 0.00 O ATOM 1387 CB SER A 86 -8.316 2.899 5.842 1.00 0.00 C ATOM 1388 OG SER A 86 -8.780 3.631 6.962 1.00 0.00 O ATOM 0 H SER A 86 -7.292 2.756 3.600 1.00 0.00 H new ATOM 0 HA SER A 86 -6.562 4.132 5.970 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.879 3.191 4.955 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.497 1.836 5.999 1.00 0.00 H new ATOM 0 HG SER A 86 -9.737 3.462 7.090 1.00 0.00 H new ATOM 1394 N ARG A 87 -5.388 1.174 5.643 1.00 0.00 N ATOM 1395 CA ARG A 87 -4.565 0.132 6.251 1.00 0.00 C ATOM 1396 C ARG A 87 -3.620 0.723 7.291 1.00 0.00 C ATOM 1397 O ARG A 87 -3.302 0.083 8.293 1.00 0.00 O ATOM 1398 CB ARG A 87 -3.765 -0.595 5.170 1.00 0.00 C ATOM 1399 CG ARG A 87 -2.873 -1.703 5.705 1.00 0.00 C ATOM 1400 CD ARG A 87 -2.106 -2.383 4.583 1.00 0.00 C ATOM 1401 NE ARG A 87 -2.964 -2.670 3.434 1.00 0.00 N ATOM 1402 CZ ARG A 87 -2.534 -2.715 2.174 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -1.256 -2.499 1.889 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -3.388 -2.980 1.195 1.00 0.00 N ATOM 0 H ARG A 87 -5.448 1.121 4.626 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.223 -0.578 6.752 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.457 -1.019 4.442 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.148 0.130 4.639 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.172 -1.290 6.430 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.480 -2.439 6.232 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.280 -1.745 4.269 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.670 -3.311 4.952 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.953 -2.847 3.608 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.594 -2.296 2.638 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.936 -2.536 0.921 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.371 -3.149 1.408 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.062 -3.015 0.229 1.00 0.00 H new ATOM 1418 N ILE A 88 -3.186 1.955 7.048 1.00 0.00 N ATOM 1419 CA ILE A 88 -2.286 2.642 7.968 1.00 0.00 C ATOM 1420 C ILE A 88 -3.045 3.085 9.216 1.00 0.00 C ATOM 1421 O ILE A 88 -3.781 4.071 9.186 1.00 0.00 O ATOM 1422 CB ILE A 88 -1.627 3.872 7.305 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -1.187 3.543 5.873 1.00 0.00 C ATOM 1424 CG2 ILE A 88 -0.440 4.351 8.130 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -1.777 4.470 4.833 1.00 0.00 C ATOM 0 H ILE A 88 -3.442 2.498 6.223 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.500 1.939 8.245 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.364 4.674 7.262 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.100 3.590 5.815 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.474 2.518 5.639 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.012 5.218 7.648 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.779 4.627 9.129 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.297 3.552 8.205 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.423 4.179 3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.865 4.405 4.863 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.469 5.494 5.042 1.00 0.00 H new ATOM 1437 N VAL A 89 -2.879 2.340 10.307 1.00 0.00 N ATOM 1438 CA VAL A 89 -3.568 2.649 11.554 1.00 0.00 C ATOM 1439 C VAL A 89 -2.663 3.389 12.534 1.00 0.00 C ATOM 1440 O VAL A 89 -1.642 2.860 12.973 1.00 0.00 O ATOM 1441 CB VAL A 89 -4.095 1.366 12.227 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -4.877 1.699 13.488 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -4.952 0.569 11.256 1.00 0.00 C ATOM 0 H VAL A 89 -2.274 1.520 10.351 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.406 3.296 11.295 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.240 0.754 12.513 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.239 0.778 13.945 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.229 2.223 14.190 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.725 2.335 13.233 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.316 -0.333 11.748 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.800 1.175 10.937 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.356 0.293 10.386 1.00 0.00 H new ATOM 1453 N THR A 90 -3.054 4.611 12.880 1.00 0.00 N ATOM 1454 CA THR A 90 -2.290 5.425 13.819 1.00 0.00 C ATOM 1455 C THR A 90 -2.824 5.245 15.236 1.00 0.00 C ATOM 1456 O THR A 90 -3.695 5.993 15.682 1.00 0.00 O ATOM 1457 CB THR A 90 -2.354 6.901 13.419 1.00 0.00 C ATOM 1458 OG1 THR A 90 -2.705 7.037 12.054 1.00 0.00 O ATOM 1459 CG2 THR A 90 -1.048 7.635 13.633 1.00 0.00 C ATOM 0 H THR A 90 -3.897 5.060 12.523 1.00 0.00 H new ATOM 0 HA THR A 90 -1.251 5.098 13.792 1.00 0.00 H new ATOM 0 HB THR A 90 -3.112 7.343 14.066 1.00 0.00 H new ATOM 0 HG1 THR A 90 -1.900 7.219 11.526 1.00 0.00 H new ATOM 0 HG21 THR A 90 -1.162 8.676 13.330 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.775 7.592 14.687 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.265 7.167 13.036 1.00 0.00 H new ATOM 1467 N LEU A 91 -2.302 4.245 15.937 1.00 0.00 N ATOM 1468 CA LEU A 91 -2.731 3.961 17.301 1.00 0.00 C ATOM 1469 C LEU A 91 -2.263 5.048 18.264 1.00 0.00 C ATOM 1470 O LEU A 91 -1.088 5.416 18.278 1.00 0.00 O ATOM 1471 CB LEU A 91 -2.198 2.597 17.749 1.00 0.00 C ATOM 1472 CG LEU A 91 -3.269 1.538 18.014 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -4.134 1.940 19.199 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -4.125 1.324 16.775 1.00 0.00 C ATOM 0 H LEU A 91 -1.581 3.617 15.583 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.821 3.942 17.315 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.518 2.221 16.984 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.612 2.734 18.658 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.772 0.598 18.255 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.891 1.175 19.373 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.510 2.042 20.087 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.622 2.891 18.987 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.882 0.567 16.982 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.613 2.260 16.504 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.495 0.991 15.950 1.00 0.00 H new ATOM 1486 N ARG A 92 -3.190 5.555 19.071 1.00 0.00 N ATOM 1487 CA ARG A 92 -2.873 6.596 20.041 1.00 0.00 C ATOM 1488 C ARG A 92 -2.164 6.002 21.254 1.00 0.00 C ATOM 1489 O ARG A 92 -2.727 5.937 22.347 1.00 0.00 O ATOM 1490 CB ARG A 92 -4.148 7.320 20.480 1.00 0.00 C ATOM 1491 CG ARG A 92 -4.633 8.358 19.480 1.00 0.00 C ATOM 1492 CD ARG A 92 -6.150 8.376 19.388 1.00 0.00 C ATOM 1493 NE ARG A 92 -6.640 9.538 18.649 1.00 0.00 N ATOM 1494 CZ ARG A 92 -6.744 10.758 19.170 1.00 0.00 C ATOM 1495 NH1 ARG A 92 -6.395 10.981 20.431 1.00 0.00 N ATOM 1496 NH2 ARG A 92 -7.199 11.759 18.428 1.00 0.00 N ATOM 0 H ARG A 92 -4.167 5.261 19.072 1.00 0.00 H new ATOM 0 HA ARG A 92 -2.205 7.315 19.566 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.937 6.585 20.640 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -3.968 7.807 21.438 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.273 9.344 19.774 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.210 8.144 18.498 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.494 7.464 18.900 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -6.574 8.380 20.392 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.919 9.406 17.677 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -6.045 10.215 21.006 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.477 11.918 20.825 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -7.469 11.593 17.458 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -7.279 12.694 18.827 1.00 0.00 H new ATOM 1510 N GLY A 93 -0.926 5.566 21.049 1.00 0.00 N ATOM 1511 CA GLY A 93 -0.156 4.977 22.128 1.00 0.00 C ATOM 1512 C GLY A 93 0.854 3.965 21.626 1.00 0.00 C ATOM 1513 O GLY A 93 1.997 3.938 22.083 1.00 0.00 O ATOM 0 H GLY A 93 -0.441 5.610 20.153 1.00 0.00 H new ATOM 0 HA2 GLY A 93 0.363 5.765 22.674 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.833 4.493 22.833 1.00 0.00 H new ATOM 1517 N VAL A 94 0.432 3.135 20.677 1.00 0.00 N ATOM 1518 CA VAL A 94 1.309 2.119 20.105 1.00 0.00 C ATOM 1519 C VAL A 94 2.159 2.708 18.986 1.00 0.00 C ATOM 1520 O VAL A 94 3.374 2.517 18.948 1.00 0.00 O ATOM 1521 CB VAL A 94 0.512 0.922 19.544 1.00 0.00 C ATOM 1522 CG1 VAL A 94 1.373 -0.332 19.531 1.00 0.00 C ATOM 1523 CG2 VAL A 94 -0.763 0.692 20.343 1.00 0.00 C ATOM 0 H VAL A 94 -0.511 3.146 20.288 1.00 0.00 H new ATOM 0 HA VAL A 94 1.950 1.767 20.913 1.00 0.00 H new ATOM 0 HB VAL A 94 0.227 1.155 18.518 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.795 -1.166 19.133 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.249 -0.165 18.904 1.00 0.00 H new ATOM 0 HG13 VAL A 94 1.692 -0.565 20.547 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.305 -0.157 19.927 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.509 0.485 21.383 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.389 1.583 20.293 1.00 0.00 H new ATOM 1533 N GLY A 95 1.507 3.424 18.076 1.00 0.00 N ATOM 1534 CA GLY A 95 2.212 4.033 16.965 1.00 0.00 C ATOM 1535 C GLY A 95 1.457 3.899 15.661 1.00 0.00 C ATOM 1536 O GLY A 95 0.322 4.362 15.542 1.00 0.00 O ATOM 0 H GLY A 95 0.501 3.593 18.089 1.00 0.00 H new ATOM 0 HA2 GLY A 95 2.379 5.089 17.179 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.193 3.570 16.863 1.00 0.00 H new ATOM 1540 N TYR A 96 2.085 3.264 14.679 1.00 0.00 N ATOM 1541 CA TYR A 96 1.462 3.069 13.377 1.00 0.00 C ATOM 1542 C TYR A 96 1.414 1.590 13.017 1.00 0.00 C ATOM 1543 O TYR A 96 2.443 0.977 12.732 1.00 0.00 O ATOM 1544 CB TYR A 96 2.221 3.851 12.302 1.00 0.00 C ATOM 1545 CG TYR A 96 1.409 4.970 11.689 1.00 0.00 C ATOM 1546 CD1 TYR A 96 0.092 4.765 11.300 1.00 0.00 C ATOM 1547 CD2 TYR A 96 1.959 6.231 11.505 1.00 0.00 C ATOM 1548 CE1 TYR A 96 -0.654 5.786 10.743 1.00 0.00 C ATOM 1549 CE2 TYR A 96 1.219 7.258 10.949 1.00 0.00 C ATOM 1550 CZ TYR A 96 -0.086 7.030 10.570 1.00 0.00 C ATOM 1551 OH TYR A 96 -0.826 8.049 10.016 1.00 0.00 O ATOM 0 H TYR A 96 3.025 2.876 14.760 1.00 0.00 H new ATOM 0 HA TYR A 96 0.440 3.443 13.428 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.129 4.268 12.739 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.532 3.164 11.515 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -0.357 3.792 11.435 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.982 6.413 11.801 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.677 5.610 10.445 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.661 8.234 10.812 1.00 0.00 H new ATOM 0 HH TYR A 96 -0.378 8.905 10.180 1.00 0.00 H new ATOM 1561 N LEU A 97 0.213 1.020 13.029 1.00 0.00 N ATOM 1562 CA LEU A 97 0.038 -0.389 12.701 1.00 0.00 C ATOM 1563 C LEU A 97 -0.687 -0.553 11.372 1.00 0.00 C ATOM 1564 O LEU A 97 -1.509 0.279 10.992 1.00 0.00 O ATOM 1565 CB LEU A 97 -0.733 -1.112 13.810 1.00 0.00 C ATOM 1566 CG LEU A 97 -1.158 -2.547 13.471 1.00 0.00 C ATOM 1567 CD1 LEU A 97 -0.855 -3.493 14.622 1.00 0.00 C ATOM 1568 CD2 LEU A 97 -2.636 -2.595 13.112 1.00 0.00 C ATOM 0 H LEU A 97 -0.650 1.511 13.262 1.00 0.00 H new ATOM 0 HA LEU A 97 1.029 -0.835 12.613 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.115 -1.134 14.707 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.624 -0.532 14.051 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.581 -2.875 12.606 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.166 -4.503 14.355 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.216 -3.486 14.827 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.397 -3.170 15.511 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.920 -3.620 12.875 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.227 -2.241 13.957 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.821 -1.958 12.247 1.00 0.00 H new ATOM 1580 N PHE A 98 -0.373 -1.635 10.675 1.00 0.00 N ATOM 1581 CA PHE A 98 -0.986 -1.925 9.386 1.00 0.00 C ATOM 1582 C PHE A 98 -2.046 -3.010 9.540 1.00 0.00 C ATOM 1583 O PHE A 98 -1.741 -4.203 9.519 1.00 0.00 O ATOM 1584 CB PHE A 98 0.085 -2.357 8.381 1.00 0.00 C ATOM 1585 CG PHE A 98 1.438 -1.754 8.653 1.00 0.00 C ATOM 1586 CD1 PHE A 98 1.554 -0.421 9.017 1.00 0.00 C ATOM 1587 CD2 PHE A 98 2.589 -2.519 8.554 1.00 0.00 C ATOM 1588 CE1 PHE A 98 2.792 0.137 9.274 1.00 0.00 C ATOM 1589 CE2 PHE A 98 3.829 -1.966 8.812 1.00 0.00 C ATOM 1590 CZ PHE A 98 3.931 -0.636 9.172 1.00 0.00 C ATOM 0 H PHE A 98 0.307 -2.331 10.982 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.469 -1.022 9.012 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.170 -3.444 8.396 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.235 -2.076 7.377 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.666 0.188 9.101 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.516 -3.559 8.272 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.868 1.177 9.554 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.718 -2.574 8.732 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.899 -0.202 9.373 1.00 0.00 H new ATOM 1600 N SER A 99 -3.292 -2.579 9.714 1.00 0.00 N ATOM 1601 CA SER A 99 -4.418 -3.495 9.898 1.00 0.00 C ATOM 1602 C SER A 99 -4.367 -4.679 8.931 1.00 0.00 C ATOM 1603 O SER A 99 -3.615 -4.675 7.957 1.00 0.00 O ATOM 1604 CB SER A 99 -5.740 -2.742 9.731 1.00 0.00 C ATOM 1605 OG SER A 99 -6.177 -2.761 8.383 1.00 0.00 O ATOM 0 H SER A 99 -3.551 -1.593 9.732 1.00 0.00 H new ATOM 0 HA SER A 99 -4.347 -3.896 10.909 1.00 0.00 H new ATOM 0 HB2 SER A 99 -6.501 -3.193 10.368 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.618 -1.710 10.061 1.00 0.00 H new ATOM 0 HG SER A 99 -7.024 -2.274 8.307 1.00 0.00 H new