USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 894 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 0.997 (180deg=0.203!) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0846 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.47 USER MOD Single : A 19 ASN : amide:sc= -0.31 K(o=-0.31,f=-2.1!) USER MOD Single : A 21 THR OG1 : rot -84:sc= 0.841 USER MOD Single : A 22 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.31) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -1.43 K(o=-1.4,f=-5.9!) USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0825) USER MOD Single : A 30 ASN : amide:sc=-0.00384 K(o=-0.0038,f=-1.6!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 143:sc= 0 (180deg=-0.0253) USER MOD Single : A 36 SER OG : rot -93:sc= -0.0427 USER MOD Single : A 38 ASN : amide:sc= -0.0228 K(o=-0.023,f=-0.76) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.529 USER MOD Single : A 43 MET CE :methyl -148:sc= -0.395 (180deg=-2.19!) USER MOD Single : A 44 TYR OH : rot 0:sc= -1.1 USER MOD Single : A 50 SER OG : rot 140:sc= 0.0472 USER MOD Single : A 53 ASN : amide:sc= 0.264 K(o=0.26,f=-0.29) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN :FLIP amide:sc= -2.69 F(o=-6.4!,f=-2.7) USER MOD Single : A 66 MET CE :methyl -171:sc= -0.638 (180deg=-1.01) USER MOD Single : A 68 SER OG : rot 75:sc= 0.309 USER MOD Single : A 73 HIS : no HD1:sc= -3.22! C(o=-3.2!,f=-12!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0.401 USER MOD Single : A 79 GLN : amide:sc= -0.0235 K(o=-0.024,f=-1.9!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -31:sc= 0.566 USER MOD Single : A 84 HIS : no HD1:sc= -2.64 K(o=-2.6,f=-3.6!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 97 LYS NZ :NH3+ 158:sc= -0.184 (180deg=-1.01) USER MOD Single : A 102 HIS : no HD1:sc= -4.93 X(o=-4.9,f=-5.1!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -154:sc= -0.289 (180deg=-1.4!) USER MOD Single : A 113 ASN : amide:sc= -2.73! C(o=-2.7!,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.262 7.805 11.162 1.00 0.00 N ATOM 2 CA MET A 1 23.290 6.766 11.605 1.00 0.00 C ATOM 3 C MET A 1 21.874 7.345 11.572 1.00 0.00 C ATOM 4 O MET A 1 20.996 6.907 12.288 1.00 0.00 O ATOM 5 CB MET A 1 23.633 6.322 13.030 1.00 0.00 C ATOM 6 CG MET A 1 24.939 5.518 13.022 1.00 0.00 C ATOM 7 SD MET A 1 26.339 6.639 12.770 1.00 0.00 S ATOM 8 CE MET A 1 26.744 6.904 14.514 1.00 0.00 C ATOM 0 H1 MET A 1 25.226 7.511 11.420 1.00 0.00 H new ATOM 0 H2 MET A 1 24.200 7.921 10.130 1.00 0.00 H new ATOM 0 H3 MET A 1 24.040 8.709 11.626 1.00 0.00 H new ATOM 0 HA MET A 1 23.344 5.907 10.936 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.735 7.193 13.678 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.824 5.715 13.437 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.054 4.982 13.964 1.00 0.00 H new ATOM 0 HG3 MET A 1 24.912 4.769 12.230 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.596 7.579 14.591 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.886 7.343 15.024 1.00 0.00 H new ATOM 0 HE3 MET A 1 26.993 5.950 14.979 1.00 0.00 H new ATOM 20 N GLY A 2 21.643 8.323 10.739 1.00 0.00 N ATOM 21 CA GLY A 2 20.283 8.925 10.651 1.00 0.00 C ATOM 22 C GLY A 2 19.333 7.920 9.992 1.00 0.00 C ATOM 23 O GLY A 2 19.751 6.865 9.558 1.00 0.00 O ATOM 0 H GLY A 2 22.339 8.731 10.115 1.00 0.00 H new ATOM 0 HA2 GLY A 2 19.922 9.187 11.646 1.00 0.00 H new ATOM 0 HA3 GLY A 2 20.317 9.847 10.071 1.00 0.00 H new ATOM 27 N PRO A 3 18.062 8.235 9.917 1.00 0.00 N ATOM 28 CA PRO A 3 17.079 7.308 9.295 1.00 0.00 C ATOM 29 C PRO A 3 17.580 6.762 7.948 1.00 0.00 C ATOM 30 O PRO A 3 18.522 7.271 7.374 1.00 0.00 O ATOM 31 CB PRO A 3 15.836 8.202 9.137 1.00 0.00 C ATOM 32 CG PRO A 3 16.049 9.478 9.982 1.00 0.00 C ATOM 33 CD PRO A 3 17.523 9.523 10.434 1.00 0.00 C ATOM 0 HA PRO A 3 16.890 6.412 9.887 1.00 0.00 H new ATOM 0 HB2 PRO A 3 15.685 8.461 8.089 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.942 7.672 9.467 1.00 0.00 H new ATOM 0 HG2 PRO A 3 15.804 10.365 9.398 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.387 9.474 10.848 1.00 0.00 H new ATOM 0 HD2 PRO A 3 18.049 10.380 10.014 1.00 0.00 H new ATOM 0 HD3 PRO A 3 17.612 9.594 11.518 1.00 0.00 H new ATOM 41 N VAL A 4 16.970 5.720 7.452 1.00 0.00 N ATOM 42 CA VAL A 4 17.421 5.131 6.159 1.00 0.00 C ATOM 43 C VAL A 4 16.860 5.954 4.980 1.00 0.00 C ATOM 44 O VAL A 4 15.792 6.523 5.086 1.00 0.00 O ATOM 45 CB VAL A 4 16.899 3.697 6.079 1.00 0.00 C ATOM 46 CG1 VAL A 4 17.461 2.889 7.250 1.00 0.00 C ATOM 47 CG2 VAL A 4 15.371 3.706 6.155 1.00 0.00 C ATOM 0 H VAL A 4 16.177 5.250 7.888 1.00 0.00 H new ATOM 0 HA VAL A 4 18.510 5.142 6.104 1.00 0.00 H new ATOM 0 HB VAL A 4 17.213 3.246 5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 4 17.091 1.865 7.197 1.00 0.00 H new ATOM 0 HG12 VAL A 4 18.550 2.884 7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 4 17.143 3.341 8.190 1.00 0.00 H new ATOM 0 HG21 VAL A 4 14.998 2.683 6.098 1.00 0.00 H new ATOM 0 HG22 VAL A 4 15.056 4.155 7.097 1.00 0.00 H new ATOM 0 HG23 VAL A 4 14.969 4.286 5.324 1.00 0.00 H new ATOM 57 N PRO A 5 17.556 6.025 3.856 1.00 0.00 N ATOM 58 CA PRO A 5 17.044 6.806 2.690 1.00 0.00 C ATOM 59 C PRO A 5 15.792 6.154 2.057 1.00 0.00 C ATOM 60 O PRO A 5 15.508 4.998 2.300 1.00 0.00 O ATOM 61 CB PRO A 5 18.240 6.771 1.721 1.00 0.00 C ATOM 62 CG PRO A 5 19.171 5.637 2.175 1.00 0.00 C ATOM 63 CD PRO A 5 18.880 5.357 3.658 1.00 0.00 C ATOM 0 HA PRO A 5 16.721 7.812 2.958 1.00 0.00 H new ATOM 0 HB2 PRO A 5 17.900 6.602 0.699 1.00 0.00 H new ATOM 0 HB3 PRO A 5 18.767 7.725 1.728 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.002 4.742 1.577 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.214 5.921 2.037 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.832 4.289 3.868 1.00 0.00 H new ATOM 0 HD3 PRO A 5 19.648 5.775 4.309 1.00 0.00 H new ATOM 71 N PRO A 6 15.050 6.887 1.251 1.00 0.00 N ATOM 72 CA PRO A 6 13.827 6.325 0.601 1.00 0.00 C ATOM 73 C PRO A 6 14.116 5.044 -0.197 1.00 0.00 C ATOM 74 O PRO A 6 13.378 4.081 -0.135 1.00 0.00 O ATOM 75 CB PRO A 6 13.379 7.471 -0.332 1.00 0.00 C ATOM 76 CG PRO A 6 14.329 8.671 -0.136 1.00 0.00 C ATOM 77 CD PRO A 6 15.375 8.306 0.932 1.00 0.00 C ATOM 0 HA PRO A 6 13.072 6.025 1.327 1.00 0.00 H new ATOM 0 HB2 PRO A 6 13.397 7.141 -1.371 1.00 0.00 H new ATOM 0 HB3 PRO A 6 12.353 7.761 -0.107 1.00 0.00 H new ATOM 0 HG2 PRO A 6 14.821 8.921 -1.076 1.00 0.00 H new ATOM 0 HG3 PRO A 6 13.766 9.552 0.173 1.00 0.00 H new ATOM 0 HD2 PRO A 6 16.392 8.412 0.553 1.00 0.00 H new ATOM 0 HD3 PRO A 6 15.294 8.946 1.811 1.00 0.00 H new ATOM 85 N SER A 7 15.175 5.036 -0.956 1.00 0.00 N ATOM 86 CA SER A 7 15.501 3.831 -1.769 1.00 0.00 C ATOM 87 C SER A 7 15.710 2.629 -0.850 1.00 0.00 C ATOM 88 O SER A 7 15.292 1.529 -1.149 1.00 0.00 O ATOM 89 CB SER A 7 16.775 4.088 -2.576 1.00 0.00 C ATOM 90 OG SER A 7 17.877 4.210 -1.687 1.00 0.00 O ATOM 0 H SER A 7 15.830 5.812 -1.049 1.00 0.00 H new ATOM 0 HA SER A 7 14.676 3.622 -2.450 1.00 0.00 H new ATOM 0 HB2 SER A 7 16.947 3.271 -3.276 1.00 0.00 H new ATOM 0 HB3 SER A 7 16.668 4.997 -3.167 1.00 0.00 H new ATOM 0 HG SER A 7 18.695 4.373 -2.201 1.00 0.00 H new ATOM 96 N THR A 8 16.351 2.826 0.266 1.00 0.00 N ATOM 97 CA THR A 8 16.579 1.684 1.197 1.00 0.00 C ATOM 98 C THR A 8 15.248 1.254 1.819 1.00 0.00 C ATOM 99 O THR A 8 14.978 0.080 1.982 1.00 0.00 O ATOM 100 CB THR A 8 17.551 2.112 2.299 1.00 0.00 C ATOM 101 OG1 THR A 8 18.811 2.420 1.720 1.00 0.00 O ATOM 102 CG2 THR A 8 17.716 0.978 3.313 1.00 0.00 C ATOM 0 H THR A 8 16.726 3.723 0.575 1.00 0.00 H new ATOM 0 HA THR A 8 17.004 0.845 0.646 1.00 0.00 H new ATOM 0 HB THR A 8 17.157 2.992 2.808 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.435 2.696 2.423 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.409 1.288 4.095 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.749 0.743 3.757 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.108 0.094 2.810 1.00 0.00 H new ATOM 110 N ALA A 9 14.415 2.193 2.165 1.00 0.00 N ATOM 111 CA ALA A 9 13.102 1.840 2.774 1.00 0.00 C ATOM 112 C ALA A 9 12.264 1.052 1.765 1.00 0.00 C ATOM 113 O ALA A 9 11.597 0.096 2.108 1.00 0.00 O ATOM 114 CB ALA A 9 12.360 3.124 3.154 1.00 0.00 C ATOM 0 H ALA A 9 14.586 3.192 2.053 1.00 0.00 H new ATOM 0 HA ALA A 9 13.266 1.232 3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.398 2.870 3.600 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.955 3.689 3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.198 3.728 2.261 1.00 0.00 H new ATOM 120 N LEU A 10 12.283 1.457 0.526 1.00 0.00 N ATOM 121 CA LEU A 10 11.478 0.746 -0.506 1.00 0.00 C ATOM 122 C LEU A 10 11.939 -0.710 -0.611 1.00 0.00 C ATOM 123 O LEU A 10 11.140 -1.625 -0.595 1.00 0.00 O ATOM 124 CB LEU A 10 11.671 1.434 -1.861 1.00 0.00 C ATOM 125 CG LEU A 10 10.728 0.815 -2.915 1.00 0.00 C ATOM 126 CD1 LEU A 10 9.313 1.385 -2.763 1.00 0.00 C ATOM 127 CD2 LEU A 10 11.238 1.134 -4.321 1.00 0.00 C ATOM 0 H LEU A 10 12.823 2.252 0.183 1.00 0.00 H new ATOM 0 HA LEU A 10 10.426 0.773 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.471 2.501 -1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.707 1.331 -2.185 1.00 0.00 H new ATOM 0 HG LEU A 10 10.705 -0.264 -2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.659 0.940 -3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.933 1.155 -1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.339 2.466 -2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.568 0.694 -5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.272 2.215 -4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.239 0.721 -4.448 1.00 0.00 H new ATOM 139 N ARG A 11 13.219 -0.933 -0.731 1.00 0.00 N ATOM 140 CA ARG A 11 13.719 -2.331 -0.852 1.00 0.00 C ATOM 141 C ARG A 11 13.314 -3.115 0.393 1.00 0.00 C ATOM 142 O ARG A 11 12.879 -4.247 0.315 1.00 0.00 O ATOM 143 CB ARG A 11 15.245 -2.310 -0.970 1.00 0.00 C ATOM 144 CG ARG A 11 15.649 -1.732 -2.329 1.00 0.00 C ATOM 145 CD ARG A 11 17.174 -1.708 -2.438 1.00 0.00 C ATOM 146 NE ARG A 11 17.729 -0.842 -1.360 1.00 0.00 N ATOM 147 CZ ARG A 11 18.998 -0.900 -1.058 1.00 0.00 C ATOM 148 NH1 ARG A 11 19.785 -1.722 -1.696 1.00 0.00 N ATOM 149 NH2 ARG A 11 19.479 -0.136 -0.116 1.00 0.00 N ATOM 0 H ARG A 11 13.938 -0.210 -0.750 1.00 0.00 H new ATOM 0 HA ARG A 11 13.292 -2.804 -1.736 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.673 -1.710 -0.167 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.642 -3.319 -0.861 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.225 -2.334 -3.133 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.250 -0.724 -2.441 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.573 -2.719 -2.350 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.475 -1.330 -3.415 1.00 0.00 H new ATOM 0 HE ARG A 11 17.115 -0.202 -0.856 1.00 0.00 H new ATOM 0 HH11 ARG A 11 19.409 -2.320 -2.432 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.776 -1.766 -1.459 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.864 0.506 0.384 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.470 -0.181 0.121 1.00 0.00 H new ATOM 163 N GLU A 12 13.434 -2.513 1.541 1.00 0.00 N ATOM 164 CA GLU A 12 13.038 -3.210 2.793 1.00 0.00 C ATOM 165 C GLU A 12 11.534 -3.495 2.761 1.00 0.00 C ATOM 166 O GLU A 12 11.078 -4.541 3.181 1.00 0.00 O ATOM 167 CB GLU A 12 13.370 -2.315 3.990 1.00 0.00 C ATOM 168 CG GLU A 12 14.888 -2.245 4.171 1.00 0.00 C ATOM 169 CD GLU A 12 15.402 -3.589 4.690 1.00 0.00 C ATOM 170 OE1 GLU A 12 14.597 -4.352 5.198 1.00 0.00 O ATOM 171 OE2 GLU A 12 16.593 -3.830 4.577 1.00 0.00 O ATOM 0 H GLU A 12 13.790 -1.566 1.666 1.00 0.00 H new ATOM 0 HA GLU A 12 13.580 -4.152 2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.966 -1.315 3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.903 -2.709 4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.367 -2.002 3.223 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.145 -1.450 4.871 1.00 0.00 H new ATOM 178 N LEU A 13 10.762 -2.563 2.273 1.00 0.00 N ATOM 179 CA LEU A 13 9.285 -2.760 2.218 1.00 0.00 C ATOM 180 C LEU A 13 8.929 -3.819 1.169 1.00 0.00 C ATOM 181 O LEU A 13 8.087 -4.665 1.394 1.00 0.00 O ATOM 182 CB LEU A 13 8.630 -1.425 1.844 1.00 0.00 C ATOM 183 CG LEU A 13 7.101 -1.564 1.771 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.539 -1.969 3.142 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.504 -0.217 1.351 1.00 0.00 C ATOM 0 H LEU A 13 11.092 -1.669 1.908 1.00 0.00 H new ATOM 0 HA LEU A 13 8.924 -3.100 3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.895 -0.667 2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.014 -1.084 0.883 1.00 0.00 H new ATOM 0 HG LEU A 13 6.840 -2.334 1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.455 -2.064 3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.970 -2.924 3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.793 -1.207 3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.419 -0.302 1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.771 0.544 2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.896 0.066 0.374 1.00 0.00 H new ATOM 197 N ILE A 14 9.550 -3.779 0.023 1.00 0.00 N ATOM 198 CA ILE A 14 9.225 -4.783 -1.030 1.00 0.00 C ATOM 199 C ILE A 14 9.507 -6.196 -0.511 1.00 0.00 C ATOM 200 O ILE A 14 8.700 -7.093 -0.656 1.00 0.00 O ATOM 201 CB ILE A 14 10.067 -4.510 -2.283 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.578 -3.216 -2.942 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.922 -5.674 -3.270 1.00 0.00 C ATOM 204 CD1 ILE A 14 10.542 -2.804 -4.056 1.00 0.00 C ATOM 0 H ILE A 14 10.266 -3.098 -0.230 1.00 0.00 H new ATOM 0 HA ILE A 14 8.168 -4.704 -1.284 1.00 0.00 H new ATOM 0 HB ILE A 14 11.116 -4.409 -2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.577 -3.361 -3.350 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.507 -2.423 -2.198 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.522 -5.475 -4.158 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.265 -6.595 -2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.876 -5.781 -3.556 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.189 -1.883 -4.521 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.535 -2.641 -3.636 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.590 -3.594 -4.806 1.00 0.00 H new ATOM 216 N GLU A 15 10.652 -6.406 0.074 1.00 0.00 N ATOM 217 CA GLU A 15 10.992 -7.764 0.581 1.00 0.00 C ATOM 218 C GLU A 15 9.968 -8.206 1.628 1.00 0.00 C ATOM 219 O GLU A 15 9.572 -9.354 1.677 1.00 0.00 O ATOM 220 CB GLU A 15 12.379 -7.721 1.224 1.00 0.00 C ATOM 221 CG GLU A 15 13.438 -7.519 0.139 1.00 0.00 C ATOM 222 CD GLU A 15 14.825 -7.475 0.782 1.00 0.00 C ATOM 223 OE1 GLU A 15 14.891 -7.438 2.000 1.00 0.00 O ATOM 224 OE2 GLU A 15 15.798 -7.480 0.046 1.00 0.00 O ATOM 0 H GLU A 15 11.368 -5.695 0.223 1.00 0.00 H new ATOM 0 HA GLU A 15 10.982 -8.471 -0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.429 -6.911 1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.570 -8.648 1.765 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.388 -8.329 -0.588 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.247 -6.593 -0.403 1.00 0.00 H new ATOM 231 N GLU A 16 9.547 -7.311 2.478 1.00 0.00 N ATOM 232 CA GLU A 16 8.564 -7.692 3.531 1.00 0.00 C ATOM 233 C GLU A 16 7.188 -7.957 2.915 1.00 0.00 C ATOM 234 O GLU A 16 6.509 -8.891 3.289 1.00 0.00 O ATOM 235 CB GLU A 16 8.452 -6.561 4.553 1.00 0.00 C ATOM 236 CG GLU A 16 7.599 -7.024 5.735 1.00 0.00 C ATOM 237 CD GLU A 16 7.494 -5.894 6.761 1.00 0.00 C ATOM 238 OE1 GLU A 16 8.212 -4.919 6.614 1.00 0.00 O ATOM 239 OE2 GLU A 16 6.699 -6.025 7.677 1.00 0.00 O ATOM 0 H GLU A 16 9.840 -6.334 2.489 1.00 0.00 H new ATOM 0 HA GLU A 16 8.910 -8.603 4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.444 -6.269 4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.004 -5.681 4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.605 -7.310 5.390 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.044 -7.907 6.194 1.00 0.00 H new ATOM 246 N LEU A 17 6.762 -7.147 1.980 1.00 0.00 N ATOM 247 CA LEU A 17 5.420 -7.370 1.365 1.00 0.00 C ATOM 248 C LEU A 17 5.379 -8.748 0.706 1.00 0.00 C ATOM 249 O LEU A 17 4.419 -9.478 0.828 1.00 0.00 O ATOM 250 CB LEU A 17 5.145 -6.299 0.299 1.00 0.00 C ATOM 251 CG LEU A 17 4.924 -4.928 0.955 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.872 -3.859 -0.143 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.606 -4.914 1.756 1.00 0.00 C ATOM 0 H LEU A 17 7.281 -6.347 1.618 1.00 0.00 H new ATOM 0 HA LEU A 17 4.662 -7.310 2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.984 -6.245 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.266 -6.575 -0.284 1.00 0.00 H new ATOM 0 HG LEU A 17 5.744 -4.723 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.715 -2.880 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.812 -3.858 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.051 -4.079 -0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.468 -3.934 2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.771 -5.123 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.646 -5.675 2.535 1.00 0.00 H new ATOM 265 N VAL A 18 6.410 -9.106 -0.001 1.00 0.00 N ATOM 266 CA VAL A 18 6.426 -10.431 -0.679 1.00 0.00 C ATOM 267 C VAL A 18 6.439 -11.554 0.365 1.00 0.00 C ATOM 268 O VAL A 18 5.788 -12.568 0.209 1.00 0.00 O ATOM 269 CB VAL A 18 7.683 -10.523 -1.548 1.00 0.00 C ATOM 270 CG1 VAL A 18 7.810 -11.932 -2.129 1.00 0.00 C ATOM 271 CG2 VAL A 18 7.588 -9.502 -2.685 1.00 0.00 C ATOM 0 H VAL A 18 7.246 -8.538 -0.140 1.00 0.00 H new ATOM 0 HA VAL A 18 5.535 -10.537 -1.298 1.00 0.00 H new ATOM 0 HB VAL A 18 8.561 -10.310 -0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.706 -11.992 -2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.880 -12.656 -1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.934 -12.155 -2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.482 -9.565 -3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.708 -9.715 -3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.506 -8.499 -2.267 1.00 0.00 H new ATOM 281 N ASN A 19 7.189 -11.383 1.417 1.00 0.00 N ATOM 282 CA ASN A 19 7.271 -12.438 2.471 1.00 0.00 C ATOM 283 C ASN A 19 5.899 -12.728 3.094 1.00 0.00 C ATOM 284 O ASN A 19 5.545 -13.868 3.322 1.00 0.00 O ATOM 285 CB ASN A 19 8.225 -11.965 3.570 1.00 0.00 C ATOM 286 CG ASN A 19 9.660 -11.967 3.042 1.00 0.00 C ATOM 287 OD1 ASN A 19 9.964 -12.643 2.080 1.00 0.00 O ATOM 288 ND2 ASN A 19 10.562 -11.234 3.636 1.00 0.00 N ATOM 0 H ASN A 19 7.754 -10.552 1.595 1.00 0.00 H new ATOM 0 HA ASN A 19 7.632 -13.355 2.006 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.949 -10.963 3.898 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.146 -12.618 4.439 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.522 -11.229 3.292 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.307 -10.666 4.444 1.00 0.00 H new ATOM 295 N ILE A 20 5.138 -11.715 3.407 1.00 0.00 N ATOM 296 CA ILE A 20 3.812 -11.950 4.055 1.00 0.00 C ATOM 297 C ILE A 20 2.753 -12.406 3.041 1.00 0.00 C ATOM 298 O ILE A 20 1.729 -12.937 3.422 1.00 0.00 O ATOM 299 CB ILE A 20 3.352 -10.664 4.755 1.00 0.00 C ATOM 300 CG1 ILE A 20 3.239 -9.524 3.736 1.00 0.00 C ATOM 301 CG2 ILE A 20 4.367 -10.287 5.837 1.00 0.00 C ATOM 302 CD1 ILE A 20 2.645 -8.280 4.407 1.00 0.00 C ATOM 0 H ILE A 20 5.374 -10.736 3.243 1.00 0.00 H new ATOM 0 HA ILE A 20 3.929 -12.750 4.786 1.00 0.00 H new ATOM 0 HB ILE A 20 2.375 -10.831 5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.222 -9.292 3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.610 -9.832 2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.044 -9.374 6.337 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.438 -11.094 6.566 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.343 -10.124 5.380 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.568 -7.474 3.677 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.654 -8.514 4.795 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.291 -7.966 5.227 1.00 0.00 H new ATOM 314 N THR A 21 2.964 -12.193 1.762 1.00 0.00 N ATOM 315 CA THR A 21 1.928 -12.610 0.753 1.00 0.00 C ATOM 316 C THR A 21 2.305 -13.939 0.081 1.00 0.00 C ATOM 317 O THR A 21 1.468 -14.594 -0.506 1.00 0.00 O ATOM 318 CB THR A 21 1.788 -11.521 -0.322 1.00 0.00 C ATOM 319 OG1 THR A 21 3.053 -11.290 -0.926 1.00 0.00 O ATOM 320 CG2 THR A 21 1.269 -10.216 0.302 1.00 0.00 C ATOM 0 H THR A 21 3.798 -11.753 1.373 1.00 0.00 H new ATOM 0 HA THR A 21 0.982 -12.745 1.277 1.00 0.00 H new ATOM 0 HB THR A 21 1.075 -11.857 -1.075 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.566 -10.659 -0.379 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.175 -9.455 -0.472 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.294 -10.393 0.757 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.969 -9.874 1.065 1.00 0.00 H new ATOM 328 N GLN A 22 3.542 -14.351 0.146 1.00 0.00 N ATOM 329 CA GLN A 22 3.923 -15.646 -0.505 1.00 0.00 C ATOM 330 C GLN A 22 3.577 -16.832 0.405 1.00 0.00 C ATOM 331 O GLN A 22 3.263 -17.908 -0.064 1.00 0.00 O ATOM 332 CB GLN A 22 5.426 -15.650 -0.811 1.00 0.00 C ATOM 333 CG GLN A 22 5.703 -14.768 -2.032 1.00 0.00 C ATOM 334 CD GLN A 22 5.144 -15.444 -3.288 1.00 0.00 C ATOM 335 OE1 GLN A 22 5.546 -16.538 -3.632 1.00 0.00 O ATOM 336 NE2 GLN A 22 4.223 -14.838 -3.987 1.00 0.00 N ATOM 0 H GLN A 22 4.301 -13.856 0.615 1.00 0.00 H new ATOM 0 HA GLN A 22 3.362 -15.745 -1.434 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.984 -15.282 0.050 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.766 -16.668 -1.000 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.244 -13.789 -1.898 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.775 -14.605 -2.140 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.885 -13.920 -3.698 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.841 -15.283 -4.822 1.00 0.00 H new ATOM 345 N ASN A 23 3.647 -16.654 1.699 1.00 0.00 N ATOM 346 CA ASN A 23 3.340 -17.782 2.638 1.00 0.00 C ATOM 347 C ASN A 23 1.899 -17.680 3.153 1.00 0.00 C ATOM 348 O ASN A 23 1.496 -18.424 4.025 1.00 0.00 O ATOM 349 CB ASN A 23 4.301 -17.720 3.827 1.00 0.00 C ATOM 350 CG ASN A 23 5.728 -17.990 3.347 1.00 0.00 C ATOM 351 OD1 ASN A 23 6.589 -17.140 3.457 1.00 0.00 O ATOM 352 ND2 ASN A 23 6.020 -19.148 2.818 1.00 0.00 N ATOM 0 H ASN A 23 3.904 -15.776 2.150 1.00 0.00 H new ATOM 0 HA ASN A 23 3.457 -18.725 2.104 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.245 -16.741 4.302 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.014 -18.455 4.579 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.970 -19.338 2.498 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.298 -19.863 2.725 1.00 0.00 H new ATOM 359 N GLN A 24 1.119 -16.767 2.638 1.00 0.00 N ATOM 360 CA GLN A 24 -0.287 -16.634 3.130 1.00 0.00 C ATOM 361 C GLN A 24 -1.187 -17.672 2.448 1.00 0.00 C ATOM 362 O GLN A 24 -1.161 -17.835 1.244 1.00 0.00 O ATOM 363 CB GLN A 24 -0.811 -15.215 2.831 1.00 0.00 C ATOM 364 CG GLN A 24 -1.164 -15.066 1.343 1.00 0.00 C ATOM 365 CD GLN A 24 -1.465 -13.599 1.036 1.00 0.00 C ATOM 366 OE1 GLN A 24 -1.281 -12.741 1.876 1.00 0.00 O ATOM 367 NE2 GLN A 24 -1.921 -13.271 -0.142 1.00 0.00 N ATOM 0 H GLN A 24 1.390 -16.112 1.904 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.302 -16.806 4.206 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.692 -15.012 3.440 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.056 -14.478 3.106 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.337 -15.416 0.725 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.028 -15.684 1.099 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.076 -13.991 -0.848 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.123 -12.295 -0.357 1.00 0.00 H new ATOM 376 N LYS A 25 -2.003 -18.356 3.206 1.00 0.00 N ATOM 377 CA LYS A 25 -2.926 -19.356 2.598 1.00 0.00 C ATOM 378 C LYS A 25 -4.196 -18.624 2.161 1.00 0.00 C ATOM 379 O LYS A 25 -4.363 -18.281 1.008 1.00 0.00 O ATOM 380 CB LYS A 25 -3.280 -20.421 3.644 1.00 0.00 C ATOM 381 CG LYS A 25 -4.255 -21.442 3.047 1.00 0.00 C ATOM 382 CD LYS A 25 -4.596 -22.494 4.103 1.00 0.00 C ATOM 383 CE LYS A 25 -5.538 -23.538 3.500 1.00 0.00 C ATOM 384 NZ LYS A 25 -6.901 -22.953 3.353 1.00 0.00 N ATOM 0 H LYS A 25 -2.069 -18.265 4.220 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.456 -19.841 1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.375 -20.925 3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.727 -19.948 4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.163 -20.941 2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.811 -21.918 2.173 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.685 -22.974 4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.066 -22.020 4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.164 -23.863 2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.577 -24.420 4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.576 -23.704 3.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.188 -22.512 4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.891 -22.235 2.601 1.00 0.00 H new ATOM 398 N ALA A 26 -5.079 -18.359 3.085 1.00 0.00 N ATOM 399 CA ALA A 26 -6.327 -17.623 2.742 1.00 0.00 C ATOM 400 C ALA A 26 -6.006 -16.118 2.725 1.00 0.00 C ATOM 401 O ALA A 26 -5.007 -15.696 3.273 1.00 0.00 O ATOM 402 CB ALA A 26 -7.405 -17.940 3.803 1.00 0.00 C ATOM 0 H ALA A 26 -4.988 -18.622 4.066 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.704 -17.924 1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.323 -17.405 3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.601 -19.012 3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.052 -17.627 4.785 1.00 0.00 H new ATOM 408 N PRO A 27 -6.841 -15.309 2.117 1.00 0.00 N ATOM 409 CA PRO A 27 -6.589 -13.843 2.080 1.00 0.00 C ATOM 410 C PRO A 27 -6.205 -13.308 3.469 1.00 0.00 C ATOM 411 O PRO A 27 -6.660 -13.808 4.478 1.00 0.00 O ATOM 412 CB PRO A 27 -7.946 -13.288 1.601 1.00 0.00 C ATOM 413 CG PRO A 27 -8.826 -14.474 1.140 1.00 0.00 C ATOM 414 CD PRO A 27 -8.075 -15.787 1.436 1.00 0.00 C ATOM 0 HA PRO A 27 -5.757 -13.554 1.437 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.438 -12.742 2.406 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.800 -12.584 0.782 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.783 -14.460 1.661 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.042 -14.393 0.075 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.658 -16.452 2.073 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.847 -16.338 0.524 1.00 0.00 H new ATOM 422 N LEU A 28 -5.366 -12.310 3.535 1.00 0.00 N ATOM 423 CA LEU A 28 -4.961 -11.777 4.869 1.00 0.00 C ATOM 424 C LEU A 28 -6.196 -11.272 5.614 1.00 0.00 C ATOM 425 O LEU A 28 -6.425 -11.611 6.758 1.00 0.00 O ATOM 426 CB LEU A 28 -3.986 -10.612 4.684 1.00 0.00 C ATOM 427 CG LEU A 28 -2.688 -11.102 4.030 1.00 0.00 C ATOM 428 CD1 LEU A 28 -1.802 -9.892 3.716 1.00 0.00 C ATOM 429 CD2 LEU A 28 -1.939 -12.063 4.974 1.00 0.00 C ATOM 0 H LEU A 28 -4.946 -11.843 2.731 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.482 -12.572 5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.444 -9.840 4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.765 -10.157 5.650 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.928 -11.637 3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.876 -10.230 3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.328 -9.223 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.571 -9.361 4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.020 -12.401 4.495 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.695 -11.545 5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.571 -12.923 5.194 1.00 0.00 H new ATOM 441 N CYS A 29 -6.993 -10.464 4.973 1.00 0.00 N ATOM 442 CA CYS A 29 -8.218 -9.935 5.640 1.00 0.00 C ATOM 443 C CYS A 29 -9.365 -10.931 5.470 1.00 0.00 C ATOM 444 O CYS A 29 -9.283 -11.862 4.693 1.00 0.00 O ATOM 445 CB CYS A 29 -8.603 -8.592 5.013 1.00 0.00 C ATOM 446 SG CYS A 29 -7.502 -7.301 5.642 1.00 0.00 S ATOM 0 H CYS A 29 -6.850 -10.146 4.015 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.020 -9.793 6.702 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.530 -8.651 3.927 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.639 -8.350 5.251 1.00 0.00 H new ATOM 451 N ASN A 30 -10.438 -10.738 6.186 1.00 0.00 N ATOM 452 CA ASN A 30 -11.597 -11.665 6.064 1.00 0.00 C ATOM 453 C ASN A 30 -12.232 -11.510 4.678 1.00 0.00 C ATOM 454 O ASN A 30 -13.438 -11.526 4.536 1.00 0.00 O ATOM 455 CB ASN A 30 -12.635 -11.326 7.136 1.00 0.00 C ATOM 456 CG ASN A 30 -12.093 -11.712 8.513 1.00 0.00 C ATOM 457 OD1 ASN A 30 -11.263 -12.591 8.628 1.00 0.00 O ATOM 458 ND2 ASN A 30 -12.530 -11.083 9.569 1.00 0.00 N ATOM 0 H ASN A 30 -10.562 -9.976 6.852 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.256 -12.692 6.196 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.865 -10.261 7.110 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.565 -11.858 6.938 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.175 -11.329 10.493 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.227 -10.345 9.471 1.00 0.00 H new ATOM 465 N GLY A 31 -11.434 -11.350 3.655 1.00 0.00 N ATOM 466 CA GLY A 31 -12.005 -11.182 2.287 1.00 0.00 C ATOM 467 C GLY A 31 -12.462 -9.733 2.107 1.00 0.00 C ATOM 468 O GLY A 31 -13.308 -9.434 1.289 1.00 0.00 O ATOM 0 H GLY A 31 -10.416 -11.328 3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.259 -11.437 1.535 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.845 -11.861 2.145 1.00 0.00 H new ATOM 472 N SER A 32 -11.910 -8.832 2.875 1.00 0.00 N ATOM 473 CA SER A 32 -12.313 -7.401 2.763 1.00 0.00 C ATOM 474 C SER A 32 -11.918 -6.849 1.390 1.00 0.00 C ATOM 475 O SER A 32 -10.949 -7.274 0.789 1.00 0.00 O ATOM 476 CB SER A 32 -11.610 -6.590 3.851 1.00 0.00 C ATOM 477 OG SER A 32 -11.984 -7.091 5.128 1.00 0.00 O ATOM 0 H SER A 32 -11.196 -9.026 3.577 1.00 0.00 H new ATOM 0 HA SER A 32 -13.394 -7.326 2.883 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.529 -6.653 3.726 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.880 -5.537 3.767 1.00 0.00 H new ATOM 0 HG SER A 32 -11.533 -6.573 5.827 1.00 0.00 H new ATOM 483 N MET A 33 -12.672 -5.896 0.896 1.00 0.00 N ATOM 484 CA MET A 33 -12.374 -5.287 -0.438 1.00 0.00 C ATOM 485 C MET A 33 -11.899 -3.840 -0.230 1.00 0.00 C ATOM 486 O MET A 33 -12.214 -3.218 0.766 1.00 0.00 O ATOM 487 CB MET A 33 -13.652 -5.281 -1.289 1.00 0.00 C ATOM 488 CG MET A 33 -14.278 -6.682 -1.329 1.00 0.00 C ATOM 489 SD MET A 33 -13.331 -7.746 -2.445 1.00 0.00 S ATOM 490 CE MET A 33 -14.135 -7.245 -3.989 1.00 0.00 C ATOM 0 H MET A 33 -13.491 -5.510 1.367 1.00 0.00 H new ATOM 0 HA MET A 33 -11.600 -5.864 -0.944 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.367 -4.569 -0.877 1.00 0.00 H new ATOM 0 HB3 MET A 33 -13.420 -4.951 -2.302 1.00 0.00 H new ATOM 0 HG2 MET A 33 -14.293 -7.112 -0.328 1.00 0.00 H new ATOM 0 HG3 MET A 33 -15.313 -6.618 -1.664 1.00 0.00 H new ATOM 0 HE1 MET A 33 -13.396 -7.212 -4.790 1.00 0.00 H new ATOM 0 HE2 MET A 33 -14.914 -7.964 -4.243 1.00 0.00 H new ATOM 0 HE3 MET A 33 -14.579 -6.257 -3.864 1.00 0.00 H new ATOM 500 N VAL A 34 -11.144 -3.300 -1.161 1.00 0.00 N ATOM 501 CA VAL A 34 -10.644 -1.888 -1.026 1.00 0.00 C ATOM 502 C VAL A 34 -10.939 -1.110 -2.313 1.00 0.00 C ATOM 503 O VAL A 34 -11.166 -1.684 -3.359 1.00 0.00 O ATOM 504 CB VAL A 34 -9.136 -1.894 -0.770 1.00 0.00 C ATOM 505 CG1 VAL A 34 -8.864 -2.321 0.672 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.459 -2.875 -1.725 1.00 0.00 C ATOM 0 H VAL A 34 -10.851 -3.778 -2.013 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.151 -1.410 -0.188 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.738 -0.893 -0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.789 -2.325 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.345 -1.621 1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.264 -3.322 0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.385 -2.878 -1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.858 -3.876 -1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.650 -2.572 -2.754 1.00 0.00 H new ATOM 516 N TRP A 35 -10.943 0.198 -2.238 1.00 0.00 N ATOM 517 CA TRP A 35 -11.235 1.022 -3.451 1.00 0.00 C ATOM 518 C TRP A 35 -10.059 0.966 -4.424 1.00 0.00 C ATOM 519 O TRP A 35 -8.927 1.213 -4.059 1.00 0.00 O ATOM 520 CB TRP A 35 -11.428 2.488 -3.045 1.00 0.00 C ATOM 521 CG TRP A 35 -12.663 2.649 -2.222 1.00 0.00 C ATOM 522 CD1 TRP A 35 -12.698 2.656 -0.870 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.034 2.845 -2.669 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.005 2.843 -0.459 1.00 0.00 N ATOM 525 CE2 TRP A 35 -14.866 2.962 -1.532 1.00 0.00 C ATOM 526 CE3 TRP A 35 -14.631 2.928 -3.939 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.243 3.156 -1.649 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -16.016 3.122 -4.062 1.00 0.00 C ATOM 529 CH2 TRP A 35 -16.821 3.235 -2.919 1.00 0.00 C ATOM 0 H TRP A 35 -10.756 0.731 -1.388 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.135 0.627 -3.922 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.561 2.831 -2.480 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.495 3.112 -3.936 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -11.845 2.535 -0.218 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.297 2.888 0.517 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.020 2.842 -4.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -16.857 3.244 -0.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.464 3.185 -5.043 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -17.886 3.383 -3.020 1.00 0.00 H new ATOM 540 N SER A 36 -10.317 0.678 -5.670 1.00 0.00 N ATOM 541 CA SER A 36 -9.208 0.651 -6.659 1.00 0.00 C ATOM 542 C SER A 36 -8.748 2.090 -6.898 1.00 0.00 C ATOM 543 O SER A 36 -9.531 3.016 -6.814 1.00 0.00 O ATOM 544 CB SER A 36 -9.700 0.039 -7.971 1.00 0.00 C ATOM 545 OG SER A 36 -10.687 0.887 -8.545 1.00 0.00 O ATOM 0 H SER A 36 -11.242 0.462 -6.042 1.00 0.00 H new ATOM 0 HA SER A 36 -8.381 0.049 -6.283 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.866 -0.087 -8.662 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.116 -0.952 -7.790 1.00 0.00 H new ATOM 0 HG SER A 36 -11.577 0.599 -8.251 1.00 0.00 H new ATOM 551 N ILE A 37 -7.489 2.292 -7.190 1.00 0.00 N ATOM 552 CA ILE A 37 -6.978 3.680 -7.429 1.00 0.00 C ATOM 553 C ILE A 37 -6.050 3.683 -8.641 1.00 0.00 C ATOM 554 O ILE A 37 -5.629 2.647 -9.115 1.00 0.00 O ATOM 555 CB ILE A 37 -6.201 4.158 -6.197 1.00 0.00 C ATOM 556 CG1 ILE A 37 -5.149 3.108 -5.803 1.00 0.00 C ATOM 557 CG2 ILE A 37 -7.170 4.374 -5.032 1.00 0.00 C ATOM 558 CD1 ILE A 37 -4.108 3.745 -4.877 1.00 0.00 C ATOM 0 H ILE A 37 -6.789 1.555 -7.274 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.820 4.347 -7.613 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.700 5.097 -6.432 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.629 2.267 -5.303 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.663 2.713 -6.695 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.617 4.714 -4.157 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.909 5.126 -5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.675 3.436 -4.800 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.363 2.999 -4.599 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.619 4.571 -5.393 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.600 4.119 -3.979 1.00 0.00 H new ATOM 570 N ASN A 38 -5.707 4.842 -9.135 1.00 0.00 N ATOM 571 CA ASN A 38 -4.783 4.909 -10.300 1.00 0.00 C ATOM 572 C ASN A 38 -3.355 4.883 -9.763 1.00 0.00 C ATOM 573 O ASN A 38 -2.982 5.690 -8.935 1.00 0.00 O ATOM 574 CB ASN A 38 -5.015 6.212 -11.070 1.00 0.00 C ATOM 575 CG ASN A 38 -6.385 6.170 -11.749 1.00 0.00 C ATOM 576 OD1 ASN A 38 -6.773 5.158 -12.297 1.00 0.00 O ATOM 577 ND2 ASN A 38 -7.139 7.235 -11.736 1.00 0.00 N ATOM 0 H ASN A 38 -6.027 5.744 -8.782 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.957 4.069 -10.973 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.961 7.062 -10.390 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.232 6.350 -11.816 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.054 7.217 -12.186 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.813 8.085 -11.276 1.00 0.00 H new ATOM 584 N LEU A 39 -2.557 3.954 -10.206 1.00 0.00 N ATOM 585 CA LEU A 39 -1.162 3.874 -9.694 1.00 0.00 C ATOM 586 C LEU A 39 -0.288 4.882 -10.445 1.00 0.00 C ATOM 587 O LEU A 39 -0.084 4.773 -11.637 1.00 0.00 O ATOM 588 CB LEU A 39 -0.607 2.459 -9.914 1.00 0.00 C ATOM 589 CG LEU A 39 -1.320 1.432 -9.009 1.00 0.00 C ATOM 590 CD1 LEU A 39 -1.030 1.721 -7.526 1.00 0.00 C ATOM 591 CD2 LEU A 39 -2.837 1.463 -9.256 1.00 0.00 C ATOM 0 H LEU A 39 -2.809 3.249 -10.898 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.156 4.102 -8.628 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.732 2.175 -10.959 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.463 2.449 -9.707 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.938 0.441 -9.255 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.542 0.986 -6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.044 1.663 -7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.386 2.720 -7.274 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.326 0.733 -8.610 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.221 2.459 -9.034 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.041 1.219 -10.299 1.00 0.00 H new ATOM 603 N THR A 40 0.235 5.863 -9.753 1.00 0.00 N ATOM 604 CA THR A 40 1.103 6.881 -10.418 1.00 0.00 C ATOM 605 C THR A 40 2.241 7.277 -9.473 1.00 0.00 C ATOM 606 O THR A 40 3.217 6.565 -9.338 1.00 0.00 O ATOM 607 CB THR A 40 0.270 8.119 -10.758 1.00 0.00 C ATOM 608 OG1 THR A 40 -0.305 8.642 -9.569 1.00 0.00 O ATOM 609 CG2 THR A 40 -0.839 7.735 -11.738 1.00 0.00 C ATOM 0 H THR A 40 0.097 6.003 -8.752 1.00 0.00 H new ATOM 0 HA THR A 40 1.519 6.460 -11.333 1.00 0.00 H new ATOM 0 HB THR A 40 0.910 8.874 -11.215 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.837 9.436 -9.785 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.432 8.617 -11.980 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.396 7.334 -12.650 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.480 6.980 -11.284 1.00 0.00 H new ATOM 617 N ALA A 41 2.127 8.412 -8.823 1.00 0.00 N ATOM 618 CA ALA A 41 3.204 8.873 -7.885 1.00 0.00 C ATOM 619 C ALA A 41 2.691 8.860 -6.439 1.00 0.00 C ATOM 620 O ALA A 41 3.233 8.184 -5.586 1.00 0.00 O ATOM 621 CB ALA A 41 3.614 10.299 -8.261 1.00 0.00 C ATOM 0 H ALA A 41 1.330 9.043 -8.902 1.00 0.00 H new ATOM 0 HA ALA A 41 4.059 8.201 -7.963 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.397 10.643 -7.585 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.988 10.312 -9.285 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.750 10.959 -8.182 1.00 0.00 H new ATOM 627 N GLY A 42 1.659 9.609 -6.154 1.00 0.00 N ATOM 628 CA GLY A 42 1.119 9.651 -4.760 1.00 0.00 C ATOM 629 C GLY A 42 0.446 8.320 -4.411 1.00 0.00 C ATOM 630 O GLY A 42 -0.537 8.279 -3.697 1.00 0.00 O ATOM 0 H GLY A 42 1.165 10.195 -6.827 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.926 9.854 -4.056 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.401 10.465 -4.665 1.00 0.00 H new ATOM 634 N MET A 43 0.963 7.235 -4.910 1.00 0.00 N ATOM 635 CA MET A 43 0.356 5.906 -4.615 1.00 0.00 C ATOM 636 C MET A 43 0.375 5.652 -3.106 1.00 0.00 C ATOM 637 O MET A 43 -0.551 5.099 -2.547 1.00 0.00 O ATOM 638 CB MET A 43 1.165 4.822 -5.320 1.00 0.00 C ATOM 639 CG MET A 43 1.212 5.138 -6.812 1.00 0.00 C ATOM 640 SD MET A 43 2.019 3.784 -7.704 1.00 0.00 S ATOM 641 CE MET A 43 3.624 3.886 -6.878 1.00 0.00 C ATOM 0 H MET A 43 1.785 7.209 -5.513 1.00 0.00 H new ATOM 0 HA MET A 43 -0.675 5.890 -4.969 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.174 4.778 -4.911 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.711 3.845 -5.155 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.202 5.285 -7.193 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.754 6.069 -6.979 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.411 3.595 -7.574 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.796 4.909 -6.542 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.634 3.216 -6.019 1.00 0.00 H new ATOM 651 N TYR A 44 1.432 6.038 -2.446 1.00 0.00 N ATOM 652 CA TYR A 44 1.519 5.805 -0.977 1.00 0.00 C ATOM 653 C TYR A 44 0.361 6.521 -0.275 1.00 0.00 C ATOM 654 O TYR A 44 -0.309 5.956 0.567 1.00 0.00 O ATOM 655 CB TYR A 44 2.850 6.361 -0.462 1.00 0.00 C ATOM 656 CG TYR A 44 3.991 5.500 -0.956 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.568 5.752 -2.208 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.470 4.445 -0.166 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.622 4.953 -2.667 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.526 3.647 -0.629 1.00 0.00 C ATOM 661 CZ TYR A 44 6.099 3.902 -1.878 1.00 0.00 C ATOM 662 OH TYR A 44 7.135 3.115 -2.331 1.00 0.00 O ATOM 0 H TYR A 44 2.239 6.505 -2.860 1.00 0.00 H new ATOM 0 HA TYR A 44 1.460 4.737 -0.770 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.982 7.387 -0.804 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.847 6.386 0.628 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.199 6.563 -2.819 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.026 4.247 0.798 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.067 5.149 -3.631 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.897 2.835 -0.020 1.00 0.00 H new ATOM 0 HH TYR A 44 7.418 3.425 -3.217 1.00 0.00 H new ATOM 672 N CYS A 45 0.117 7.756 -0.616 1.00 0.00 N ATOM 673 CA CYS A 45 -1.002 8.500 0.031 1.00 0.00 C ATOM 674 C CYS A 45 -2.345 7.929 -0.436 1.00 0.00 C ATOM 675 O CYS A 45 -3.196 7.592 0.362 1.00 0.00 O ATOM 676 CB CYS A 45 -0.914 9.981 -0.345 1.00 0.00 C ATOM 677 SG CYS A 45 0.438 10.768 0.573 1.00 0.00 S ATOM 0 H CYS A 45 0.643 8.282 -1.314 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.926 8.394 1.113 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.746 10.084 -1.417 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.857 10.479 -0.120 1.00 0.00 H new ATOM 682 N ALA A 46 -2.545 7.823 -1.723 1.00 0.00 N ATOM 683 CA ALA A 46 -3.838 7.280 -2.232 1.00 0.00 C ATOM 684 C ALA A 46 -4.035 5.857 -1.708 1.00 0.00 C ATOM 685 O ALA A 46 -5.096 5.496 -1.237 1.00 0.00 O ATOM 686 CB ALA A 46 -3.813 7.261 -3.762 1.00 0.00 C ATOM 0 H ALA A 46 -1.871 8.088 -2.442 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.658 7.910 -1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.757 6.865 -4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.671 8.275 -4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.993 6.630 -4.105 1.00 0.00 H new ATOM 692 N ALA A 47 -3.020 5.046 -1.780 1.00 0.00 N ATOM 693 CA ALA A 47 -3.144 3.650 -1.280 1.00 0.00 C ATOM 694 C ALA A 47 -3.456 3.673 0.219 1.00 0.00 C ATOM 695 O ALA A 47 -4.231 2.879 0.716 1.00 0.00 O ATOM 696 CB ALA A 47 -1.826 2.906 -1.514 1.00 0.00 C ATOM 0 H ALA A 47 -2.107 5.290 -2.164 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.948 3.142 -1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.916 1.883 -1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.601 2.891 -2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.022 3.413 -0.980 1.00 0.00 H new ATOM 702 N LEU A 48 -2.836 4.564 0.946 1.00 0.00 N ATOM 703 CA LEU A 48 -3.068 4.629 2.418 1.00 0.00 C ATOM 704 C LEU A 48 -4.543 4.902 2.736 1.00 0.00 C ATOM 705 O LEU A 48 -5.145 4.202 3.521 1.00 0.00 O ATOM 706 CB LEU A 48 -2.195 5.747 3.008 1.00 0.00 C ATOM 707 CG LEU A 48 -2.443 5.894 4.518 1.00 0.00 C ATOM 708 CD1 LEU A 48 -2.124 4.575 5.237 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.535 7.003 5.063 1.00 0.00 C ATOM 0 H LEU A 48 -2.177 5.252 0.582 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.803 3.668 2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.143 5.527 2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.414 6.689 2.506 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.489 6.146 4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.303 4.691 6.306 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.763 3.783 4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.079 4.313 5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.702 7.117 6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.492 6.740 4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.764 7.942 4.559 1.00 0.00 H new ATOM 721 N GLU A 49 -5.134 5.909 2.149 1.00 0.00 N ATOM 722 CA GLU A 49 -6.567 6.200 2.464 1.00 0.00 C ATOM 723 C GLU A 49 -7.432 4.996 2.105 1.00 0.00 C ATOM 724 O GLU A 49 -8.377 4.674 2.798 1.00 0.00 O ATOM 725 CB GLU A 49 -7.045 7.435 1.696 1.00 0.00 C ATOM 726 CG GLU A 49 -6.605 7.344 0.236 1.00 0.00 C ATOM 727 CD GLU A 49 -7.091 8.582 -0.519 1.00 0.00 C ATOM 728 OE1 GLU A 49 -8.275 8.650 -0.806 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.271 9.442 -0.797 1.00 0.00 O ATOM 0 H GLU A 49 -4.696 6.536 1.474 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.656 6.400 3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.131 7.511 1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.637 8.337 2.152 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.519 7.271 0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.011 6.442 -0.222 1.00 0.00 H new ATOM 736 N SER A 50 -7.119 4.321 1.038 1.00 0.00 N ATOM 737 CA SER A 50 -7.932 3.135 0.660 1.00 0.00 C ATOM 738 C SER A 50 -7.791 2.073 1.752 1.00 0.00 C ATOM 739 O SER A 50 -8.741 1.410 2.118 1.00 0.00 O ATOM 740 CB SER A 50 -7.421 2.572 -0.668 1.00 0.00 C ATOM 741 OG SER A 50 -8.232 1.471 -1.055 1.00 0.00 O ATOM 0 H SER A 50 -6.341 4.537 0.415 1.00 0.00 H new ATOM 0 HA SER A 50 -8.979 3.419 0.552 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.445 3.344 -1.437 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.383 2.256 -0.567 1.00 0.00 H new ATOM 0 HG SER A 50 -8.382 1.500 -2.023 1.00 0.00 H new ATOM 747 N LEU A 51 -6.606 1.912 2.274 1.00 0.00 N ATOM 748 CA LEU A 51 -6.381 0.898 3.343 1.00 0.00 C ATOM 749 C LEU A 51 -7.063 1.335 4.646 1.00 0.00 C ATOM 750 O LEU A 51 -7.528 0.516 5.414 1.00 0.00 O ATOM 751 CB LEU A 51 -4.878 0.747 3.581 1.00 0.00 C ATOM 752 CG LEU A 51 -4.221 0.080 2.363 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.698 0.128 2.526 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.688 -1.386 2.229 1.00 0.00 C ATOM 0 H LEU A 51 -5.778 2.443 2.004 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.807 -0.054 3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.429 1.724 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.701 0.148 4.474 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.514 0.617 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.225 -0.344 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.372 1.166 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.412 -0.404 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.212 -1.842 1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.412 -1.939 3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.771 -1.413 2.105 1.00 0.00 H new ATOM 766 N ILE A 52 -7.121 2.614 4.909 1.00 0.00 N ATOM 767 CA ILE A 52 -7.768 3.090 6.170 1.00 0.00 C ATOM 768 C ILE A 52 -9.178 2.495 6.275 1.00 0.00 C ATOM 769 O ILE A 52 -9.783 2.503 7.329 1.00 0.00 O ATOM 770 CB ILE A 52 -7.830 4.634 6.162 1.00 0.00 C ATOM 771 CG1 ILE A 52 -6.426 5.230 6.401 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.788 5.152 7.238 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.843 4.788 7.757 1.00 0.00 C ATOM 0 H ILE A 52 -6.750 3.349 4.307 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.186 2.766 7.033 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.197 4.945 5.184 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.757 4.919 5.598 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.482 6.318 6.366 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.812 6.241 7.210 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.789 4.762 7.052 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.446 4.822 8.219 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.854 5.228 7.889 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.499 5.122 8.561 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.763 3.701 7.782 1.00 0.00 H new ATOM 785 N ASN A 53 -9.709 1.976 5.201 1.00 0.00 N ATOM 786 CA ASN A 53 -11.077 1.383 5.264 1.00 0.00 C ATOM 787 C ASN A 53 -10.976 -0.054 5.780 1.00 0.00 C ATOM 788 O ASN A 53 -11.950 -0.644 6.204 1.00 0.00 O ATOM 789 CB ASN A 53 -11.697 1.374 3.866 1.00 0.00 C ATOM 790 CG ASN A 53 -12.010 2.808 3.436 1.00 0.00 C ATOM 791 OD1 ASN A 53 -11.775 3.179 2.304 1.00 0.00 O ATOM 792 ND2 ASN A 53 -12.535 3.635 4.298 1.00 0.00 N ATOM 0 H ASN A 53 -9.258 1.937 4.287 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.701 1.975 5.933 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.011 0.912 3.156 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.608 0.776 3.865 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.748 4.593 4.021 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -12.732 3.323 5.249 1.00 0.00 H new ATOM 799 N VAL A 54 -9.797 -0.618 5.752 1.00 0.00 N ATOM 800 CA VAL A 54 -9.612 -2.016 6.244 1.00 0.00 C ATOM 801 C VAL A 54 -9.237 -1.984 7.729 1.00 0.00 C ATOM 802 O VAL A 54 -8.238 -1.407 8.111 1.00 0.00 O ATOM 803 CB VAL A 54 -8.493 -2.681 5.442 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.332 -4.136 5.886 1.00 0.00 C ATOM 805 CG2 VAL A 54 -8.847 -2.637 3.955 1.00 0.00 C ATOM 0 H VAL A 54 -8.949 -0.168 5.407 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.536 -2.581 6.119 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.557 -2.149 5.614 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.533 -4.605 5.312 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.083 -4.167 6.947 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.265 -4.673 5.717 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.053 -3.110 3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.783 -3.170 3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.958 -1.600 3.638 1.00 0.00 H new ATOM 815 N SER A 55 -10.039 -2.594 8.570 1.00 0.00 N ATOM 816 CA SER A 55 -9.750 -2.604 10.041 1.00 0.00 C ATOM 817 C SER A 55 -9.819 -4.038 10.573 1.00 0.00 C ATOM 818 O SER A 55 -10.537 -4.869 10.054 1.00 0.00 O ATOM 819 CB SER A 55 -10.791 -1.749 10.765 1.00 0.00 C ATOM 820 OG SER A 55 -10.720 -0.414 10.282 1.00 0.00 O ATOM 0 H SER A 55 -10.888 -3.089 8.298 1.00 0.00 H new ATOM 0 HA SER A 55 -8.752 -2.201 10.215 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.789 -2.155 10.601 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.611 -1.769 11.840 1.00 0.00 H new ATOM 0 HG SER A 55 -11.387 0.136 10.743 1.00 0.00 H new ATOM 826 N GLY A 56 -9.081 -4.329 11.614 1.00 0.00 N ATOM 827 CA GLY A 56 -9.102 -5.705 12.196 1.00 0.00 C ATOM 828 C GLY A 56 -8.012 -6.568 11.555 1.00 0.00 C ATOM 829 O GLY A 56 -7.733 -7.660 12.008 1.00 0.00 O ATOM 0 H GLY A 56 -8.463 -3.670 12.087 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.948 -5.654 13.274 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.079 -6.161 12.034 1.00 0.00 H new ATOM 833 N CYS A 57 -7.386 -6.093 10.509 1.00 0.00 N ATOM 834 CA CYS A 57 -6.310 -6.898 9.852 1.00 0.00 C ATOM 835 C CYS A 57 -4.947 -6.486 10.420 1.00 0.00 C ATOM 836 O CYS A 57 -4.288 -5.607 9.901 1.00 0.00 O ATOM 837 CB CYS A 57 -6.325 -6.643 8.342 1.00 0.00 C ATOM 838 SG CYS A 57 -7.878 -7.238 7.628 1.00 0.00 S ATOM 0 H CYS A 57 -7.572 -5.186 10.082 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.484 -7.957 10.044 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -6.209 -5.577 8.144 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.482 -7.148 7.871 1.00 0.00 H new ATOM 843 N SER A 58 -4.518 -7.119 11.478 1.00 0.00 N ATOM 844 CA SER A 58 -3.197 -6.773 12.078 1.00 0.00 C ATOM 845 C SER A 58 -2.086 -7.080 11.070 1.00 0.00 C ATOM 846 O SER A 58 -1.095 -6.382 10.980 1.00 0.00 O ATOM 847 CB SER A 58 -2.980 -7.603 13.345 1.00 0.00 C ATOM 848 OG SER A 58 -1.837 -7.115 14.037 1.00 0.00 O ATOM 0 H SER A 58 -5.027 -7.863 11.954 1.00 0.00 H new ATOM 0 HA SER A 58 -3.177 -5.713 12.331 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.860 -7.545 13.986 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.842 -8.653 13.087 1.00 0.00 H new ATOM 0 HG SER A 58 -1.696 -7.644 14.850 1.00 0.00 H new ATOM 854 N ALA A 59 -2.245 -8.138 10.328 1.00 0.00 N ATOM 855 CA ALA A 59 -1.214 -8.541 9.328 1.00 0.00 C ATOM 856 C ALA A 59 -0.787 -7.360 8.442 1.00 0.00 C ATOM 857 O ALA A 59 0.193 -7.453 7.730 1.00 0.00 O ATOM 858 CB ALA A 59 -1.787 -9.650 8.444 1.00 0.00 C ATOM 0 H ALA A 59 -3.058 -8.752 10.371 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.334 -8.891 9.868 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.041 -9.952 7.709 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.054 -10.507 9.063 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.675 -9.283 7.929 1.00 0.00 H new ATOM 864 N ILE A 60 -1.503 -6.256 8.464 1.00 0.00 N ATOM 865 CA ILE A 60 -1.117 -5.084 7.602 1.00 0.00 C ATOM 866 C ILE A 60 -1.061 -3.820 8.449 1.00 0.00 C ATOM 867 O ILE A 60 -0.806 -2.740 7.956 1.00 0.00 O ATOM 868 CB ILE A 60 -2.138 -4.909 6.473 1.00 0.00 C ATOM 869 CG1 ILE A 60 -3.539 -4.687 7.054 1.00 0.00 C ATOM 870 CG2 ILE A 60 -2.144 -6.161 5.595 1.00 0.00 C ATOM 871 CD1 ILE A 60 -4.521 -4.402 5.916 1.00 0.00 C ATOM 0 H ILE A 60 -2.334 -6.115 9.038 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.135 -5.268 7.167 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.861 -4.040 5.876 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.857 -5.568 7.612 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.526 -3.853 7.756 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.870 -6.038 4.791 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.152 -6.311 5.168 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.414 -7.027 6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.518 -4.244 6.327 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.205 -3.509 5.377 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.541 -5.250 5.232 1.00 0.00 H new ATOM 883 N GLU A 61 -1.290 -3.940 9.719 1.00 0.00 N ATOM 884 CA GLU A 61 -1.237 -2.740 10.585 1.00 0.00 C ATOM 885 C GLU A 61 0.168 -2.139 10.493 1.00 0.00 C ATOM 886 O GLU A 61 0.334 -0.942 10.366 1.00 0.00 O ATOM 887 CB GLU A 61 -1.556 -3.161 12.017 1.00 0.00 C ATOM 888 CG GLU A 61 -1.514 -1.959 12.949 1.00 0.00 C ATOM 889 CD GLU A 61 -2.573 -0.937 12.529 1.00 0.00 C ATOM 890 OE1 GLU A 61 -3.519 -1.331 11.866 1.00 0.00 O ATOM 891 OE2 GLU A 61 -2.420 0.222 12.877 1.00 0.00 O ATOM 0 H GLU A 61 -1.511 -4.815 10.195 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.963 -1.991 10.268 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.542 -3.623 12.055 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.839 -3.912 12.350 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.691 -2.278 13.976 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.525 -1.502 12.923 1.00 0.00 H new ATOM 898 N LYS A 62 1.180 -2.964 10.525 1.00 0.00 N ATOM 899 CA LYS A 62 2.572 -2.445 10.406 1.00 0.00 C ATOM 900 C LYS A 62 2.732 -1.765 9.046 1.00 0.00 C ATOM 901 O LYS A 62 3.380 -0.745 8.920 1.00 0.00 O ATOM 902 CB LYS A 62 3.573 -3.595 10.525 1.00 0.00 C ATOM 903 CG LYS A 62 3.578 -4.112 11.962 1.00 0.00 C ATOM 904 CD LYS A 62 4.577 -5.263 12.089 1.00 0.00 C ATOM 905 CE LYS A 62 4.579 -5.778 13.529 1.00 0.00 C ATOM 906 NZ LYS A 62 5.670 -6.779 13.698 1.00 0.00 N ATOM 0 H LYS A 62 1.102 -3.976 10.629 1.00 0.00 H new ATOM 0 HA LYS A 62 2.763 -1.729 11.205 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.305 -4.398 9.838 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.570 -3.255 10.245 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.845 -3.308 12.648 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.580 -4.451 12.241 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.310 -6.068 11.404 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.575 -4.925 11.811 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.721 -4.949 14.223 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.616 -6.230 13.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.671 -7.129 14.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.515 -7.574 13.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.586 -6.333 13.489 1.00 0.00 H new ATOM 920 N THR A 63 2.145 -2.330 8.025 1.00 0.00 N ATOM 921 CA THR A 63 2.258 -1.731 6.666 1.00 0.00 C ATOM 922 C THR A 63 1.719 -0.301 6.694 1.00 0.00 C ATOM 923 O THR A 63 2.245 0.583 6.046 1.00 0.00 O ATOM 924 CB THR A 63 1.445 -2.561 5.669 1.00 0.00 C ATOM 925 OG1 THR A 63 1.945 -3.892 5.641 1.00 0.00 O ATOM 926 CG2 THR A 63 1.559 -1.939 4.277 1.00 0.00 C ATOM 0 H THR A 63 1.590 -3.184 8.075 1.00 0.00 H new ATOM 0 HA THR A 63 3.304 -1.721 6.361 1.00 0.00 H new ATOM 0 HB THR A 63 0.399 -2.575 5.974 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.424 -4.424 5.004 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.981 -2.529 3.566 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.173 -0.920 4.301 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.605 -1.924 3.970 1.00 0.00 H new ATOM 934 N GLN A 64 0.669 -0.066 7.430 1.00 0.00 N ATOM 935 CA GLN A 64 0.095 1.307 7.484 1.00 0.00 C ATOM 936 C GLN A 64 1.152 2.279 8.018 1.00 0.00 C ATOM 937 O GLN A 64 1.285 3.387 7.539 1.00 0.00 O ATOM 938 CB GLN A 64 -1.115 1.311 8.423 1.00 0.00 C ATOM 939 CG GLN A 64 -2.251 0.500 7.798 1.00 0.00 C ATOM 940 CD GLN A 64 -2.814 1.251 6.592 1.00 0.00 C ATOM 941 OE1 GLN A 64 -2.586 0.795 5.391 1.00 0.00 O flip ATOM 942 NE2 GLN A 64 -3.464 2.266 6.744 1.00 0.00 N flip ATOM 0 H GLN A 64 0.185 -0.763 7.995 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.213 1.615 6.485 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.840 0.887 9.389 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.443 2.334 8.606 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.885 -0.480 7.491 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.038 0.331 8.533 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.642 2.622 7.683 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.832 2.762 5.932 1.00 0.00 H new ATOM 951 N ARG A 65 1.908 1.874 9.005 1.00 0.00 N ATOM 952 CA ARG A 65 2.953 2.782 9.558 1.00 0.00 C ATOM 953 C ARG A 65 4.035 3.038 8.503 1.00 0.00 C ATOM 954 O ARG A 65 4.476 4.154 8.314 1.00 0.00 O ATOM 955 CB ARG A 65 3.589 2.138 10.795 1.00 0.00 C ATOM 956 CG ARG A 65 2.576 2.123 11.942 1.00 0.00 C ATOM 957 CD ARG A 65 3.215 1.479 13.174 1.00 0.00 C ATOM 958 NE ARG A 65 2.174 1.263 14.235 1.00 0.00 N ATOM 959 CZ ARG A 65 1.480 2.254 14.728 1.00 0.00 C ATOM 960 NH1 ARG A 65 1.787 3.487 14.437 1.00 0.00 N ATOM 961 NH2 ARG A 65 0.504 2.011 15.559 1.00 0.00 N ATOM 0 H ARG A 65 1.847 0.958 9.449 1.00 0.00 H new ATOM 0 HA ARG A 65 2.491 3.730 9.835 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.909 1.122 10.565 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.480 2.693 11.090 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.256 3.139 12.173 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.685 1.568 11.648 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.673 0.528 12.902 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.011 2.117 13.558 1.00 0.00 H new ATOM 0 HE ARG A 65 2.005 0.318 14.580 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.575 3.684 13.820 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.240 4.254 14.827 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.285 1.050 15.822 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.040 2.782 15.946 1.00 0.00 H new ATOM 975 N MET A 66 4.469 2.014 7.817 1.00 0.00 N ATOM 976 CA MET A 66 5.524 2.209 6.781 1.00 0.00 C ATOM 977 C MET A 66 4.989 3.091 5.649 1.00 0.00 C ATOM 978 O MET A 66 5.684 3.949 5.142 1.00 0.00 O ATOM 979 CB MET A 66 5.964 0.848 6.232 1.00 0.00 C ATOM 980 CG MET A 66 6.747 0.095 7.316 1.00 0.00 C ATOM 981 SD MET A 66 7.509 -1.388 6.606 1.00 0.00 S ATOM 982 CE MET A 66 5.996 -2.354 6.391 1.00 0.00 C ATOM 0 H MET A 66 4.140 1.055 7.929 1.00 0.00 H new ATOM 0 HA MET A 66 6.384 2.704 7.231 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.094 0.267 5.926 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.585 0.983 5.346 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.515 0.743 7.739 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.080 -0.183 8.132 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.253 -3.375 6.110 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.435 -2.365 7.326 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.386 -1.905 5.607 1.00 0.00 H new ATOM 992 N LEU A 67 3.760 2.900 5.256 1.00 0.00 N ATOM 993 CA LEU A 67 3.191 3.746 4.169 1.00 0.00 C ATOM 994 C LEU A 67 3.178 5.201 4.631 1.00 0.00 C ATOM 995 O LEU A 67 3.457 6.108 3.873 1.00 0.00 O ATOM 996 CB LEU A 67 1.764 3.298 3.845 1.00 0.00 C ATOM 997 CG LEU A 67 1.785 1.925 3.152 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.354 1.391 3.059 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.385 2.044 1.735 1.00 0.00 C ATOM 0 H LEU A 67 3.127 2.198 5.639 1.00 0.00 H new ATOM 0 HA LEU A 67 3.802 3.645 3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.175 3.243 4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.282 4.032 3.200 1.00 0.00 H new ATOM 0 HG LEU A 67 2.402 1.241 3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.360 0.418 2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.062 1.290 4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.256 2.085 2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.392 1.063 1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.782 2.731 1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.405 2.422 1.802 1.00 0.00 H new ATOM 1011 N SER A 68 2.857 5.430 5.873 1.00 0.00 N ATOM 1012 CA SER A 68 2.829 6.824 6.388 1.00 0.00 C ATOM 1013 C SER A 68 4.212 7.448 6.197 1.00 0.00 C ATOM 1014 O SER A 68 4.338 8.606 5.851 1.00 0.00 O ATOM 1015 CB SER A 68 2.470 6.815 7.874 1.00 0.00 C ATOM 1016 OG SER A 68 1.115 6.411 8.028 1.00 0.00 O ATOM 0 H SER A 68 2.613 4.710 6.553 1.00 0.00 H new ATOM 0 HA SER A 68 2.083 7.405 5.845 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.128 6.135 8.415 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.617 7.807 8.301 1.00 0.00 H new ATOM 0 HG SER A 68 1.044 5.443 7.890 1.00 0.00 H new ATOM 1022 N GLY A 69 5.252 6.689 6.412 1.00 0.00 N ATOM 1023 CA GLY A 69 6.625 7.244 6.233 1.00 0.00 C ATOM 1024 C GLY A 69 6.713 7.935 4.870 1.00 0.00 C ATOM 1025 O GLY A 69 7.428 8.902 4.700 1.00 0.00 O ATOM 0 H GLY A 69 5.211 5.712 6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.850 7.953 7.029 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.365 6.446 6.298 1.00 0.00 H new ATOM 1029 N PHE A 70 5.979 7.455 3.899 1.00 0.00 N ATOM 1030 CA PHE A 70 6.005 8.095 2.548 1.00 0.00 C ATOM 1031 C PHE A 70 4.874 9.126 2.479 1.00 0.00 C ATOM 1032 O PHE A 70 4.805 9.936 1.576 1.00 0.00 O ATOM 1033 CB PHE A 70 5.785 7.023 1.475 1.00 0.00 C ATOM 1034 CG PHE A 70 6.985 6.103 1.410 1.00 0.00 C ATOM 1035 CD1 PHE A 70 7.027 4.956 2.211 1.00 0.00 C ATOM 1036 CD2 PHE A 70 8.054 6.394 0.551 1.00 0.00 C ATOM 1037 CE1 PHE A 70 8.134 4.100 2.154 1.00 0.00 C ATOM 1038 CE2 PHE A 70 9.160 5.537 0.493 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.200 4.390 1.295 1.00 0.00 C ATOM 0 H PHE A 70 5.362 6.647 3.983 1.00 0.00 H new ATOM 0 HA PHE A 70 6.966 8.581 2.379 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.887 6.448 1.702 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.625 7.494 0.505 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.205 4.731 2.874 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.025 7.280 -0.066 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.165 3.216 2.773 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.982 5.761 -0.170 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.053 3.729 1.251 1.00 0.00 H new ATOM 1049 N CYS A 71 3.991 9.099 3.446 1.00 0.00 N ATOM 1050 CA CYS A 71 2.850 10.069 3.484 1.00 0.00 C ATOM 1051 C CYS A 71 2.662 10.545 4.936 1.00 0.00 C ATOM 1052 O CYS A 71 1.803 10.054 5.642 1.00 0.00 O ATOM 1053 CB CYS A 71 1.577 9.366 3.004 1.00 0.00 C ATOM 1054 SG CYS A 71 1.605 9.239 1.197 1.00 0.00 S ATOM 0 H CYS A 71 4.012 8.437 4.222 1.00 0.00 H new ATOM 0 HA CYS A 71 3.055 10.922 2.837 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.507 8.373 3.448 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.697 9.922 3.327 1.00 0.00 H new ATOM 1059 N PRO A 72 3.477 11.473 5.393 1.00 0.00 N ATOM 1060 CA PRO A 72 3.387 11.969 6.801 1.00 0.00 C ATOM 1061 C PRO A 72 2.068 12.696 7.129 1.00 0.00 C ATOM 1062 O PRO A 72 1.917 13.239 8.206 1.00 0.00 O ATOM 1063 CB PRO A 72 4.596 12.927 6.896 1.00 0.00 C ATOM 1064 CG PRO A 72 5.404 12.822 5.588 1.00 0.00 C ATOM 1065 CD PRO A 72 4.541 12.087 4.551 1.00 0.00 C ATOM 0 HA PRO A 72 3.401 11.150 7.520 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.257 13.951 7.051 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.221 12.665 7.750 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.672 13.814 5.225 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.336 12.283 5.759 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.128 12.771 3.810 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.113 11.335 4.007 1.00 0.00 H new ATOM 1073 N HIS A 73 1.113 12.717 6.234 1.00 0.00 N ATOM 1074 CA HIS A 73 -0.172 13.420 6.552 1.00 0.00 C ATOM 1075 C HIS A 73 -1.140 12.428 7.205 1.00 0.00 C ATOM 1076 O HIS A 73 -1.240 11.285 6.806 1.00 0.00 O ATOM 1077 CB HIS A 73 -0.789 13.993 5.271 1.00 0.00 C ATOM 1078 CG HIS A 73 -1.141 12.883 4.324 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -2.390 12.283 4.320 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -0.424 12.262 3.334 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -2.388 11.347 3.354 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -1.213 11.293 2.721 1.00 0.00 N ATOM 0 H HIS A 73 1.163 12.286 5.311 1.00 0.00 H new ATOM 0 HA HIS A 73 0.024 14.242 7.240 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.681 14.570 5.515 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.087 14.678 4.795 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.598 12.490 3.070 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.233 10.716 3.119 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -0.950 10.675 1.953 1.00 0.00 H new ATOM 1090 N LYS A 74 -1.834 12.858 8.224 1.00 0.00 N ATOM 1091 CA LYS A 74 -2.780 11.949 8.935 1.00 0.00 C ATOM 1092 C LYS A 74 -4.063 11.765 8.121 1.00 0.00 C ATOM 1093 O LYS A 74 -4.526 12.672 7.458 1.00 0.00 O ATOM 1094 CB LYS A 74 -3.127 12.557 10.295 1.00 0.00 C ATOM 1095 CG LYS A 74 -1.903 12.493 11.208 1.00 0.00 C ATOM 1096 CD LYS A 74 -2.249 13.100 12.568 1.00 0.00 C ATOM 1097 CE LYS A 74 -1.024 13.036 13.481 1.00 0.00 C ATOM 1098 NZ LYS A 74 -1.314 13.754 14.754 1.00 0.00 N ATOM 0 H LYS A 74 -1.786 13.806 8.597 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.307 10.976 9.066 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.449 13.591 10.172 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.959 12.016 10.746 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.581 11.459 11.331 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.071 13.034 10.757 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.571 14.134 12.445 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.081 12.559 13.019 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.765 11.998 13.688 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.164 13.486 12.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.481 13.710 15.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.541 14.748 14.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.123 13.306 15.229 1.00 0.00 H new ATOM 1112 N VAL A 75 -4.643 10.590 8.180 1.00 0.00 N ATOM 1113 CA VAL A 75 -5.908 10.317 7.428 1.00 0.00 C ATOM 1114 C VAL A 75 -6.931 9.692 8.381 1.00 0.00 C ATOM 1115 O VAL A 75 -6.641 8.742 9.080 1.00 0.00 O ATOM 1116 CB VAL A 75 -5.611 9.340 6.290 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -6.895 9.051 5.513 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -4.572 9.958 5.351 1.00 0.00 C ATOM 0 H VAL A 75 -4.290 9.801 8.722 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.307 11.246 7.020 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.223 8.408 6.702 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.681 8.354 4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.635 8.612 6.183 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.287 9.980 5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.358 9.264 4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.962 10.889 4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.656 10.161 5.905 1.00 0.00 H new ATOM 1128 N SER A 76 -8.130 10.218 8.409 1.00 0.00 N ATOM 1129 CA SER A 76 -9.188 9.662 9.311 1.00 0.00 C ATOM 1130 C SER A 76 -10.169 8.829 8.487 1.00 0.00 C ATOM 1131 O SER A 76 -10.370 9.073 7.314 1.00 0.00 O ATOM 1132 CB SER A 76 -9.945 10.813 9.977 1.00 0.00 C ATOM 1133 OG SER A 76 -11.196 10.335 10.454 1.00 0.00 O ATOM 0 H SER A 76 -8.424 11.014 7.843 1.00 0.00 H new ATOM 0 HA SER A 76 -8.723 9.037 10.074 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.360 11.221 10.801 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.099 11.623 9.264 1.00 0.00 H new ATOM 0 HG SER A 76 -11.684 11.068 10.883 1.00 0.00 H new ATOM 1139 N ALA A 77 -10.786 7.849 9.089 1.00 0.00 N ATOM 1140 CA ALA A 77 -11.756 7.009 8.334 1.00 0.00 C ATOM 1141 C ALA A 77 -12.888 7.895 7.820 1.00 0.00 C ATOM 1142 O ALA A 77 -13.679 7.492 6.991 1.00 0.00 O ATOM 1143 CB ALA A 77 -12.326 5.925 9.253 1.00 0.00 C ATOM 0 H ALA A 77 -10.660 7.595 10.069 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.252 6.533 7.493 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.035 5.312 8.697 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.515 5.297 9.621 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.834 6.393 10.096 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.964 9.108 8.300 1.00 0.00 N ATOM 1150 CA GLY A 78 -14.037 10.039 7.838 1.00 0.00 C ATOM 1151 C GLY A 78 -13.472 10.954 6.751 1.00 0.00 C ATOM 1152 O GLY A 78 -14.171 11.366 5.847 1.00 0.00 O ATOM 0 H GLY A 78 -12.327 9.496 8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.884 9.473 7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.406 10.632 8.675 1.00 0.00 H new ATOM 1156 N GLN A 79 -12.206 11.275 6.832 1.00 0.00 N ATOM 1157 CA GLN A 79 -11.590 12.166 5.804 1.00 0.00 C ATOM 1158 C GLN A 79 -11.056 11.328 4.642 1.00 0.00 C ATOM 1159 O GLN A 79 -10.260 10.428 4.827 1.00 0.00 O ATOM 1160 CB GLN A 79 -10.432 12.945 6.427 1.00 0.00 C ATOM 1161 CG GLN A 79 -10.977 13.977 7.416 1.00 0.00 C ATOM 1162 CD GLN A 79 -9.817 14.581 8.211 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -8.763 13.987 8.314 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -9.967 15.747 8.777 1.00 0.00 N ATOM 0 H GLN A 79 -11.572 10.958 7.566 1.00 0.00 H new ATOM 0 HA GLN A 79 -12.348 12.859 5.437 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.754 12.261 6.937 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.855 13.443 5.648 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.513 14.761 6.882 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.690 13.507 8.093 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.852 16.246 8.690 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.199 16.160 9.306 1.00 0.00 H new ATOM 1173 N PHE A 80 -11.485 11.629 3.444 1.00 0.00 N ATOM 1174 CA PHE A 80 -11.012 10.876 2.241 1.00 0.00 C ATOM 1175 C PHE A 80 -10.550 11.881 1.188 1.00 0.00 C ATOM 1176 O PHE A 80 -11.071 12.975 1.106 1.00 0.00 O ATOM 1177 CB PHE A 80 -12.161 10.037 1.686 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.480 8.924 2.655 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.639 7.809 2.738 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.618 9.004 3.468 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -11.934 6.773 3.631 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -13.914 7.967 4.361 1.00 0.00 C ATOM 1183 CZ PHE A 80 -13.072 6.851 4.442 1.00 0.00 C ATOM 0 H PHE A 80 -12.152 12.374 3.244 1.00 0.00 H new ATOM 0 HA PHE A 80 -10.187 10.217 2.509 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.040 10.662 1.530 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.888 9.623 0.715 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.761 7.748 2.112 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -14.267 9.865 3.406 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.284 5.913 3.694 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.792 8.028 4.987 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.301 6.051 5.130 1.00 0.00 H new ATOM 1193 N SER A 81 -9.562 11.531 0.396 1.00 0.00 N ATOM 1194 CA SER A 81 -9.046 12.481 -0.645 1.00 0.00 C ATOM 1195 C SER A 81 -9.151 11.873 -2.050 1.00 0.00 C ATOM 1196 O SER A 81 -9.499 12.554 -2.995 1.00 0.00 O ATOM 1197 CB SER A 81 -7.578 12.787 -0.346 1.00 0.00 C ATOM 1198 OG SER A 81 -7.478 13.414 0.927 1.00 0.00 O ATOM 0 H SER A 81 -9.090 10.627 0.425 1.00 0.00 H new ATOM 0 HA SER A 81 -9.647 13.390 -0.616 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.993 11.867 -0.358 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.166 13.437 -1.118 1.00 0.00 H new ATOM 0 HG SER A 81 -6.538 13.610 1.122 1.00 0.00 H new ATOM 1204 N SER A 82 -8.819 10.613 -2.210 1.00 0.00 N ATOM 1205 CA SER A 82 -8.864 9.986 -3.575 1.00 0.00 C ATOM 1206 C SER A 82 -10.134 9.156 -3.785 1.00 0.00 C ATOM 1207 O SER A 82 -10.344 8.607 -4.848 1.00 0.00 O ATOM 1208 CB SER A 82 -7.644 9.082 -3.749 1.00 0.00 C ATOM 1209 OG SER A 82 -7.592 8.618 -5.091 1.00 0.00 O ATOM 0 H SER A 82 -8.520 9.992 -1.458 1.00 0.00 H new ATOM 0 HA SER A 82 -8.863 10.789 -4.312 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.733 9.630 -3.506 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.701 8.238 -3.062 1.00 0.00 H new ATOM 0 HG SER A 82 -8.503 8.531 -5.443 1.00 0.00 H new ATOM 1215 N LEU A 83 -10.986 9.048 -2.806 1.00 0.00 N ATOM 1216 CA LEU A 83 -12.231 8.241 -3.001 1.00 0.00 C ATOM 1217 C LEU A 83 -13.322 9.129 -3.606 1.00 0.00 C ATOM 1218 O LEU A 83 -14.499 8.890 -3.424 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.718 7.688 -1.659 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.601 6.907 -0.948 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -12.200 6.135 0.236 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -10.937 5.916 -1.915 1.00 0.00 C ATOM 0 H LEU A 83 -10.881 9.477 -1.887 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.013 7.410 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -13.054 8.508 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.577 7.036 -1.820 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.848 7.611 -0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.412 5.579 0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.657 6.837 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -12.957 5.440 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.149 5.372 -1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.683 5.211 -2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.507 6.461 -2.756 1.00 0.00 H new ATOM 1234 N HIS A 84 -12.943 10.151 -4.326 1.00 0.00 N ATOM 1235 CA HIS A 84 -13.964 11.049 -4.941 1.00 0.00 C ATOM 1236 C HIS A 84 -14.583 10.356 -6.155 1.00 0.00 C ATOM 1237 O HIS A 84 -15.757 10.495 -6.433 1.00 0.00 O ATOM 1238 CB HIS A 84 -13.299 12.351 -5.394 1.00 0.00 C ATOM 1239 CG HIS A 84 -12.639 13.015 -4.222 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -12.729 12.505 -2.938 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -11.864 14.144 -4.125 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -12.023 13.316 -2.131 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -11.476 14.332 -2.803 1.00 0.00 N ATOM 0 H HIS A 84 -11.973 10.403 -4.515 1.00 0.00 H new ATOM 0 HA HIS A 84 -14.738 11.271 -4.206 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.562 12.144 -6.170 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -14.042 13.018 -5.831 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.596 14.788 -4.950 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.912 13.164 -1.068 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.898 15.084 -2.428 1.00 0.00 H new ATOM 1251 N VAL A 85 -13.796 9.615 -6.885 1.00 0.00 N ATOM 1252 CA VAL A 85 -14.325 8.917 -8.090 1.00 0.00 C ATOM 1253 C VAL A 85 -15.153 7.703 -7.663 1.00 0.00 C ATOM 1254 O VAL A 85 -14.903 7.096 -6.640 1.00 0.00 O ATOM 1255 CB VAL A 85 -13.156 8.456 -8.963 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -12.478 9.675 -9.592 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -12.142 7.698 -8.101 1.00 0.00 C ATOM 0 H VAL A 85 -12.805 9.462 -6.698 1.00 0.00 H new ATOM 0 HA VAL A 85 -14.957 9.602 -8.656 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.528 7.799 -9.750 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.645 9.347 -10.214 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.198 10.216 -10.206 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.107 10.331 -8.805 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.309 7.370 -8.723 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.770 8.355 -7.314 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.624 6.830 -7.652 1.00 0.00 H new ATOM 1267 N ARG A 86 -16.141 7.346 -8.442 1.00 0.00 N ATOM 1268 CA ARG A 86 -16.992 6.173 -8.088 1.00 0.00 C ATOM 1269 C ARG A 86 -16.399 4.911 -8.718 1.00 0.00 C ATOM 1270 O ARG A 86 -16.988 4.303 -9.590 1.00 0.00 O ATOM 1271 CB ARG A 86 -18.403 6.393 -8.639 1.00 0.00 C ATOM 1272 CG ARG A 86 -19.093 7.510 -7.852 1.00 0.00 C ATOM 1273 CD ARG A 86 -20.491 7.749 -8.426 1.00 0.00 C ATOM 1274 NE ARG A 86 -21.129 8.900 -7.726 1.00 0.00 N ATOM 1275 CZ ARG A 86 -22.167 9.490 -8.254 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -22.645 9.072 -9.395 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -22.725 10.500 -7.644 1.00 0.00 N ATOM 0 H ARG A 86 -16.395 7.818 -9.310 1.00 0.00 H new ATOM 0 HA ARG A 86 -17.031 6.060 -7.005 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -18.355 6.655 -9.696 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -18.981 5.472 -8.565 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.162 7.238 -6.799 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -18.504 8.426 -7.907 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -20.426 7.951 -9.495 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -21.102 6.854 -8.307 1.00 0.00 H new ATOM 0 HE ARG A 86 -20.755 9.226 -6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -22.207 8.285 -9.874 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -23.456 9.533 -9.808 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -22.350 10.829 -6.754 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -23.536 10.961 -8.057 1.00 0.00 H new ATOM 1291 N ASP A 87 -15.239 4.508 -8.275 1.00 0.00 N ATOM 1292 CA ASP A 87 -14.608 3.280 -8.837 1.00 0.00 C ATOM 1293 C ASP A 87 -15.167 2.057 -8.114 1.00 0.00 C ATOM 1294 O ASP A 87 -15.847 2.175 -7.113 1.00 0.00 O ATOM 1295 CB ASP A 87 -13.092 3.340 -8.633 1.00 0.00 C ATOM 1296 CG ASP A 87 -12.495 4.416 -9.540 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -13.148 4.780 -10.505 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -11.395 4.860 -9.255 1.00 0.00 O ATOM 0 H ASP A 87 -14.700 4.977 -7.547 1.00 0.00 H new ATOM 0 HA ASP A 87 -14.826 3.213 -9.903 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.864 3.561 -7.590 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.646 2.371 -8.858 1.00 0.00 H new ATOM 1303 N THR A 88 -14.884 0.881 -8.605 1.00 0.00 N ATOM 1304 CA THR A 88 -15.395 -0.352 -7.938 1.00 0.00 C ATOM 1305 C THR A 88 -14.344 -0.847 -6.946 1.00 0.00 C ATOM 1306 O THR A 88 -13.170 -0.562 -7.079 1.00 0.00 O ATOM 1307 CB THR A 88 -15.651 -1.434 -8.992 1.00 0.00 C ATOM 1308 OG1 THR A 88 -14.409 -1.895 -9.504 1.00 0.00 O ATOM 1309 CG2 THR A 88 -16.486 -0.851 -10.133 1.00 0.00 C ATOM 0 H THR A 88 -14.321 0.720 -9.440 1.00 0.00 H new ATOM 0 HA THR A 88 -16.326 -0.132 -7.415 1.00 0.00 H new ATOM 0 HB THR A 88 -16.190 -2.264 -8.536 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.570 -2.589 -10.177 1.00 0.00 H new ATOM 0 HG21 THR A 88 -16.667 -1.622 -10.882 1.00 0.00 H new ATOM 0 HG22 THR A 88 -17.439 -0.494 -9.741 1.00 0.00 H new ATOM 0 HG23 THR A 88 -15.948 -0.020 -10.590 1.00 0.00 H new ATOM 1317 N LYS A 89 -14.752 -1.578 -5.946 1.00 0.00 N ATOM 1318 CA LYS A 89 -13.771 -2.081 -4.940 1.00 0.00 C ATOM 1319 C LYS A 89 -13.148 -3.395 -5.430 1.00 0.00 C ATOM 1320 O LYS A 89 -13.717 -4.098 -6.242 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.482 -2.340 -3.613 1.00 0.00 C ATOM 1322 CG LYS A 89 -14.906 -1.021 -2.967 1.00 0.00 C ATOM 1323 CD LYS A 89 -15.612 -1.327 -1.644 1.00 0.00 C ATOM 1324 CE LYS A 89 -16.049 -0.026 -0.975 1.00 0.00 C ATOM 1325 NZ LYS A 89 -16.852 -0.338 0.240 1.00 0.00 N ATOM 0 H LYS A 89 -15.721 -1.849 -5.781 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.991 -1.332 -4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.357 -2.968 -3.779 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.821 -2.886 -2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.036 -0.388 -2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.572 -0.471 -3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.479 -1.963 -1.823 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.943 -1.879 -0.984 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.176 0.567 -0.704 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -16.638 0.573 -1.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.150 0.548 0.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -17.692 -0.888 -0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.275 -0.892 0.904 1.00 0.00 H new ATOM 1339 N ILE A 90 -11.977 -3.729 -4.936 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.292 -4.996 -5.357 1.00 0.00 C ATOM 1341 C ILE A 90 -10.777 -5.745 -4.118 1.00 0.00 C ATOM 1342 O ILE A 90 -10.714 -5.202 -3.034 1.00 0.00 O ATOM 1343 CB ILE A 90 -10.121 -4.653 -6.279 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.235 -3.602 -5.604 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -10.658 -4.102 -7.603 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -7.974 -3.373 -6.439 1.00 0.00 C ATOM 0 H ILE A 90 -11.462 -3.173 -4.253 1.00 0.00 H new ATOM 0 HA ILE A 90 -11.999 -5.634 -5.888 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.534 -5.550 -6.474 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.784 -2.667 -5.494 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.963 -3.932 -4.601 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.824 -3.857 -8.260 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -11.288 -4.852 -8.080 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.245 -3.204 -7.412 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.347 -2.624 -5.954 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.421 -4.308 -6.526 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.254 -3.023 -7.433 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.424 -6.995 -4.276 1.00 0.00 N ATOM 1359 CA GLU A 91 -9.926 -7.802 -3.117 1.00 0.00 C ATOM 1360 C GLU A 91 -8.592 -7.247 -2.604 1.00 0.00 C ATOM 1361 O GLU A 91 -7.737 -6.845 -3.368 1.00 0.00 O ATOM 1362 CB GLU A 91 -9.733 -9.252 -3.565 1.00 0.00 C ATOM 1363 CG GLU A 91 -11.090 -9.853 -3.939 1.00 0.00 C ATOM 1364 CD GLU A 91 -10.902 -11.303 -4.387 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -9.763 -11.703 -4.569 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -11.899 -11.988 -4.543 1.00 0.00 O ATOM 0 H GLU A 91 -10.459 -7.496 -5.164 1.00 0.00 H new ATOM 0 HA GLU A 91 -10.657 -7.750 -2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.057 -9.294 -4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.273 -9.833 -2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.766 -9.810 -3.085 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.549 -9.271 -4.738 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.413 -7.224 -1.307 1.00 0.00 N ATOM 1374 CA VAL A 92 -7.142 -6.696 -0.728 1.00 0.00 C ATOM 1375 C VAL A 92 -5.949 -7.522 -1.238 1.00 0.00 C ATOM 1376 O VAL A 92 -4.912 -6.988 -1.576 1.00 0.00 O ATOM 1377 CB VAL A 92 -7.210 -6.787 0.803 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -5.834 -6.480 1.407 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -8.238 -5.782 1.338 1.00 0.00 C ATOM 0 H VAL A 92 -9.096 -7.550 -0.623 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.011 -5.657 -1.032 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.509 -7.797 1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.891 -6.547 2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.105 -7.201 1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.527 -5.474 1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.282 -5.851 2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.944 -4.773 1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.219 -6.008 0.920 1.00 0.00 H new ATOM 1389 N ALA A 93 -6.080 -8.820 -1.283 1.00 0.00 N ATOM 1390 CA ALA A 93 -4.948 -9.670 -1.757 1.00 0.00 C ATOM 1391 C ALA A 93 -4.474 -9.192 -3.134 1.00 0.00 C ATOM 1392 O ALA A 93 -3.288 -9.084 -3.395 1.00 0.00 O ATOM 1393 CB ALA A 93 -5.414 -11.124 -1.858 1.00 0.00 C ATOM 0 H ALA A 93 -6.921 -9.329 -1.012 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.123 -9.594 -1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.589 -11.747 -2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.744 -11.469 -0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.242 -11.193 -2.564 1.00 0.00 H new ATOM 1399 N GLN A 94 -5.387 -8.904 -4.018 1.00 0.00 N ATOM 1400 CA GLN A 94 -4.986 -8.440 -5.374 1.00 0.00 C ATOM 1401 C GLN A 94 -4.499 -6.996 -5.280 1.00 0.00 C ATOM 1402 O GLN A 94 -3.629 -6.572 -6.014 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.189 -8.525 -6.313 1.00 0.00 C ATOM 1404 CG GLN A 94 -5.742 -8.237 -7.746 1.00 0.00 C ATOM 1405 CD GLN A 94 -6.950 -8.329 -8.681 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -8.079 -8.257 -8.239 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -6.761 -8.487 -9.962 1.00 0.00 N ATOM 0 H GLN A 94 -6.393 -8.970 -3.860 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.185 -9.068 -5.763 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.640 -9.516 -6.254 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.952 -7.809 -6.008 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.295 -7.245 -7.807 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.977 -8.951 -8.051 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -5.813 -8.548 -10.334 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.561 -8.550 -10.592 1.00 0.00 H new ATOM 1416 N PHE A 95 -5.045 -6.242 -4.368 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.606 -4.829 -4.208 1.00 0.00 C ATOM 1418 C PHE A 95 -3.114 -4.804 -3.872 1.00 0.00 C ATOM 1419 O PHE A 95 -2.351 -4.052 -4.444 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.387 -4.186 -3.061 1.00 0.00 C ATOM 1421 CG PHE A 95 -4.913 -2.770 -2.851 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -3.749 -2.530 -2.112 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.635 -1.698 -3.388 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.305 -1.220 -1.910 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -5.193 -0.386 -3.184 1.00 0.00 C ATOM 1426 CZ PHE A 95 -4.028 -0.147 -2.446 1.00 0.00 C ATOM 0 H PHE A 95 -5.777 -6.544 -3.726 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.788 -4.280 -5.132 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.453 -4.193 -3.286 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.251 -4.764 -2.147 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.193 -3.358 -1.697 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.533 -1.883 -3.959 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.406 -1.036 -1.341 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.751 0.442 -3.596 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.686 0.866 -2.290 1.00 0.00 H new ATOM 1436 N VAL A 96 -2.695 -5.622 -2.944 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.254 -5.646 -2.567 1.00 0.00 C ATOM 1438 C VAL A 96 -0.416 -6.047 -3.781 1.00 0.00 C ATOM 1439 O VAL A 96 0.597 -5.444 -4.076 1.00 0.00 O ATOM 1440 CB VAL A 96 -1.031 -6.671 -1.453 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.460 -6.746 -1.128 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -1.803 -6.253 -0.201 1.00 0.00 C ATOM 0 H VAL A 96 -3.289 -6.274 -2.431 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.958 -4.655 -2.222 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.386 -7.647 -1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.623 -7.475 -0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.012 -7.049 -2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.810 -5.768 -0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.640 -6.987 0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.453 -5.276 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.867 -6.198 -0.431 1.00 0.00 H new ATOM 1452 N LYS A 97 -0.820 -7.073 -4.481 1.00 0.00 N ATOM 1453 CA LYS A 97 -0.032 -7.520 -5.665 1.00 0.00 C ATOM 1454 C LYS A 97 0.061 -6.399 -6.706 1.00 0.00 C ATOM 1455 O LYS A 97 1.124 -6.099 -7.204 1.00 0.00 O ATOM 1456 CB LYS A 97 -0.703 -8.743 -6.285 1.00 0.00 C ATOM 1457 CG LYS A 97 -0.534 -9.934 -5.343 1.00 0.00 C ATOM 1458 CD LYS A 97 -1.201 -11.166 -5.952 1.00 0.00 C ATOM 1459 CE LYS A 97 -1.030 -12.354 -5.007 1.00 0.00 C ATOM 1460 NZ LYS A 97 -1.508 -11.978 -3.647 1.00 0.00 N ATOM 0 H LYS A 97 -1.659 -7.619 -4.285 1.00 0.00 H new ATOM 0 HA LYS A 97 0.977 -7.776 -5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.761 -8.546 -6.456 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.259 -8.965 -7.256 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.525 -10.128 -5.172 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.978 -9.710 -4.373 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.260 -10.973 -6.123 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.757 -11.392 -6.922 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.592 -13.211 -5.378 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.018 -12.653 -4.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.746 -12.838 -3.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.760 -11.456 -3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.353 -11.377 -3.730 1.00 0.00 H new ATOM 1474 N ASP A 98 -1.029 -5.771 -7.044 1.00 0.00 N ATOM 1475 CA ASP A 98 -0.951 -4.679 -8.057 1.00 0.00 C ATOM 1476 C ASP A 98 -0.017 -3.588 -7.539 1.00 0.00 C ATOM 1477 O ASP A 98 0.778 -3.033 -8.271 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.344 -4.094 -8.294 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.208 -5.116 -9.034 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -2.643 -6.010 -9.642 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -4.420 -4.986 -8.981 1.00 0.00 O ATOM 0 H ASP A 98 -1.959 -5.961 -6.670 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.568 -5.076 -8.997 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.807 -3.832 -7.342 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.270 -3.175 -8.876 1.00 0.00 H new ATOM 1486 N LEU A 99 -0.096 -3.292 -6.275 1.00 0.00 N ATOM 1487 CA LEU A 99 0.793 -2.254 -5.693 1.00 0.00 C ATOM 1488 C LEU A 99 2.250 -2.716 -5.834 1.00 0.00 C ATOM 1489 O LEU A 99 3.137 -1.938 -6.117 1.00 0.00 O ATOM 1490 CB LEU A 99 0.432 -2.056 -4.214 1.00 0.00 C ATOM 1491 CG LEU A 99 1.331 -0.989 -3.575 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.163 0.357 -4.301 1.00 0.00 C ATOM 1493 CD2 LEU A 99 0.940 -0.830 -2.101 1.00 0.00 C ATOM 0 H LEU A 99 -0.742 -3.727 -5.616 1.00 0.00 H new ATOM 0 HA LEU A 99 0.667 -1.306 -6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.613 -1.759 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.541 -2.999 -3.678 1.00 0.00 H new ATOM 0 HG LEU A 99 2.373 -1.300 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.807 1.104 -3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.439 0.242 -5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.124 0.680 -4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.573 -0.074 -1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.103 -0.522 -2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.072 -1.781 -1.585 1.00 0.00 H new ATOM 1505 N LEU A 100 2.496 -3.984 -5.622 1.00 0.00 N ATOM 1506 CA LEU A 100 3.889 -4.523 -5.715 1.00 0.00 C ATOM 1507 C LEU A 100 4.514 -4.221 -7.086 1.00 0.00 C ATOM 1508 O LEU A 100 5.659 -3.825 -7.167 1.00 0.00 O ATOM 1509 CB LEU A 100 3.854 -6.039 -5.472 1.00 0.00 C ATOM 1510 CG LEU A 100 5.236 -6.664 -5.713 1.00 0.00 C ATOM 1511 CD1 LEU A 100 6.302 -5.935 -4.887 1.00 0.00 C ATOM 1512 CD2 LEU A 100 5.191 -8.138 -5.292 1.00 0.00 C ATOM 0 H LEU A 100 1.785 -4.676 -5.386 1.00 0.00 H new ATOM 0 HA LEU A 100 4.505 -4.038 -4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.532 -6.240 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.121 -6.501 -6.134 1.00 0.00 H new ATOM 0 HG LEU A 100 5.491 -6.578 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.276 -6.389 -5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.332 -4.885 -5.177 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.057 -6.012 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.167 -8.594 -5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.934 -8.207 -4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.440 -8.662 -5.883 1.00 0.00 H new ATOM 1524 N LEU A 101 3.801 -4.400 -8.166 1.00 0.00 N ATOM 1525 CA LEU A 101 4.426 -4.109 -9.495 1.00 0.00 C ATOM 1526 C LEU A 101 4.853 -2.635 -9.551 1.00 0.00 C ATOM 1527 O LEU A 101 5.901 -2.306 -10.067 1.00 0.00 O ATOM 1528 CB LEU A 101 3.429 -4.407 -10.630 1.00 0.00 C ATOM 1529 CG LEU A 101 3.393 -5.917 -10.947 1.00 0.00 C ATOM 1530 CD1 LEU A 101 4.672 -6.354 -11.687 1.00 0.00 C ATOM 1531 CD2 LEU A 101 3.253 -6.716 -9.648 1.00 0.00 C ATOM 0 H LEU A 101 2.835 -4.727 -8.191 1.00 0.00 H new ATOM 0 HA LEU A 101 5.302 -4.746 -9.622 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.434 -4.067 -10.344 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.711 -3.850 -11.523 1.00 0.00 H new ATOM 0 HG LEU A 101 2.536 -6.112 -11.592 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.623 -7.422 -11.899 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.758 -5.802 -12.623 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.542 -6.148 -11.063 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.228 -7.781 -9.877 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.102 -6.504 -8.997 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.330 -6.432 -9.144 1.00 0.00 H new ATOM 1543 N HIS A 102 4.063 -1.742 -9.029 1.00 0.00 N ATOM 1544 CA HIS A 102 4.457 -0.303 -9.060 1.00 0.00 C ATOM 1545 C HIS A 102 5.602 -0.035 -8.076 1.00 0.00 C ATOM 1546 O HIS A 102 6.470 0.766 -8.339 1.00 0.00 O ATOM 1547 CB HIS A 102 3.250 0.581 -8.718 1.00 0.00 C ATOM 1548 CG HIS A 102 2.382 0.729 -9.937 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.548 1.770 -10.837 1.00 0.00 N ATOM 1550 CD2 HIS A 102 1.362 -0.038 -10.432 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.648 1.602 -11.822 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.898 0.513 -11.625 1.00 0.00 N ATOM 0 H HIS A 102 3.167 -1.941 -8.584 1.00 0.00 H new ATOM 0 HA HIS A 102 4.802 -0.061 -10.065 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.679 0.137 -7.902 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.587 1.560 -8.376 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.976 -0.934 -9.969 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.544 2.265 -12.668 1.00 0.00 H new ATOM 0 HE2 HIS A 102 0.148 0.161 -12.220 1.00 0.00 H new ATOM 1560 N LEU A 103 5.611 -0.668 -6.938 1.00 0.00 N ATOM 1561 CA LEU A 103 6.707 -0.385 -5.962 1.00 0.00 C ATOM 1562 C LEU A 103 8.068 -0.718 -6.589 1.00 0.00 C ATOM 1563 O LEU A 103 8.981 0.080 -6.556 1.00 0.00 O ATOM 1564 CB LEU A 103 6.520 -1.240 -4.698 1.00 0.00 C ATOM 1565 CG LEU A 103 5.287 -0.779 -3.902 1.00 0.00 C ATOM 1566 CD1 LEU A 103 5.063 -1.743 -2.729 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.493 0.646 -3.355 1.00 0.00 C ATOM 0 H LEU A 103 4.921 -1.358 -6.641 1.00 0.00 H new ATOM 0 HA LEU A 103 6.672 0.672 -5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.408 -2.288 -4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.409 -1.170 -4.072 1.00 0.00 H new ATOM 0 HG LEU A 103 4.420 -0.776 -4.563 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.191 -1.425 -2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.898 -2.750 -3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.941 -1.740 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.609 0.952 -2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.362 0.661 -2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.654 1.334 -4.185 1.00 0.00 H new ATOM 1579 N LYS A 104 8.215 -1.881 -7.157 1.00 0.00 N ATOM 1580 CA LYS A 104 9.525 -2.249 -7.776 1.00 0.00 C ATOM 1581 C LYS A 104 9.796 -1.391 -9.020 1.00 0.00 C ATOM 1582 O LYS A 104 10.932 -1.160 -9.386 1.00 0.00 O ATOM 1583 CB LYS A 104 9.508 -3.729 -8.167 1.00 0.00 C ATOM 1584 CG LYS A 104 8.429 -3.967 -9.223 1.00 0.00 C ATOM 1585 CD LYS A 104 8.153 -5.468 -9.358 1.00 0.00 C ATOM 1586 CE LYS A 104 9.463 -6.226 -9.594 1.00 0.00 C ATOM 1587 NZ LYS A 104 9.165 -7.533 -10.245 1.00 0.00 N ATOM 0 H LYS A 104 7.488 -2.594 -7.221 1.00 0.00 H new ATOM 0 HA LYS A 104 10.317 -2.069 -7.050 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.483 -4.024 -8.555 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.314 -4.345 -7.289 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.514 -3.444 -8.945 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.750 -3.560 -10.182 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.667 -5.839 -8.455 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.467 -5.646 -10.186 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.129 -5.636 -10.224 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.979 -6.387 -8.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.052 -8.051 -10.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.544 -8.095 -9.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.690 -7.367 -11.155 1.00 0.00 H new ATOM 1601 N LYS A 105 8.768 -0.938 -9.687 1.00 0.00 N ATOM 1602 CA LYS A 105 8.973 -0.121 -10.923 1.00 0.00 C ATOM 1603 C LYS A 105 9.690 1.196 -10.592 1.00 0.00 C ATOM 1604 O LYS A 105 10.614 1.595 -11.272 1.00 0.00 O ATOM 1605 CB LYS A 105 7.608 0.188 -11.547 1.00 0.00 C ATOM 1606 CG LYS A 105 7.801 0.867 -12.908 1.00 0.00 C ATOM 1607 CD LYS A 105 6.438 1.256 -13.503 1.00 0.00 C ATOM 1608 CE LYS A 105 5.765 0.038 -14.151 1.00 0.00 C ATOM 1609 NZ LYS A 105 6.684 -0.569 -15.155 1.00 0.00 N ATOM 0 H LYS A 105 7.794 -1.098 -9.431 1.00 0.00 H new ATOM 0 HA LYS A 105 9.590 -0.686 -11.622 1.00 0.00 H new ATOM 0 HB2 LYS A 105 7.036 -0.732 -11.667 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.034 0.836 -10.885 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.424 1.754 -12.795 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.324 0.194 -13.588 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.795 1.660 -12.721 1.00 0.00 H new ATOM 0 HD3 LYS A 105 6.570 2.043 -14.245 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.508 -0.697 -13.388 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.833 0.338 -14.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.128 -1.071 -15.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.245 0.180 -15.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.322 -1.240 -14.681 1.00 0.00 H new ATOM 1623 N LEU A 106 9.270 1.877 -9.562 1.00 0.00 N ATOM 1624 CA LEU A 106 9.923 3.171 -9.196 1.00 0.00 C ATOM 1625 C LEU A 106 11.402 2.937 -8.848 1.00 0.00 C ATOM 1626 O LEU A 106 12.231 3.807 -9.026 1.00 0.00 O ATOM 1627 CB LEU A 106 9.195 3.796 -7.986 1.00 0.00 C ATOM 1628 CG LEU A 106 7.909 4.557 -8.403 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.260 5.968 -8.903 1.00 0.00 C ATOM 1630 CD2 LEU A 106 7.145 3.802 -9.504 1.00 0.00 C ATOM 0 H LEU A 106 8.501 1.594 -8.955 1.00 0.00 H new ATOM 0 HA LEU A 106 9.863 3.852 -10.045 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.936 3.011 -7.275 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.870 4.481 -7.473 1.00 0.00 H new ATOM 0 HG LEU A 106 7.270 4.630 -7.523 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.347 6.489 -9.192 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.758 6.522 -8.108 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.924 5.894 -9.764 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.249 4.361 -9.774 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.783 3.694 -10.381 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.860 2.815 -9.138 1.00 0.00 H new ATOM 1642 N PHE A 107 11.739 1.783 -8.340 1.00 0.00 N ATOM 1643 CA PHE A 107 13.162 1.523 -7.966 1.00 0.00 C ATOM 1644 C PHE A 107 14.064 1.650 -9.196 1.00 0.00 C ATOM 1645 O PHE A 107 15.171 2.144 -9.113 1.00 0.00 O ATOM 1646 CB PHE A 107 13.312 0.115 -7.385 1.00 0.00 C ATOM 1647 CG PHE A 107 14.762 -0.107 -7.010 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.290 0.525 -5.878 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.579 -0.934 -7.792 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.630 0.333 -5.527 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.922 -1.128 -7.438 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.446 -0.493 -6.306 1.00 0.00 C ATOM 0 H PHE A 107 11.095 1.011 -8.168 1.00 0.00 H new ATOM 0 HA PHE A 107 13.456 2.259 -7.218 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.674 -0.002 -6.509 1.00 0.00 H new ATOM 0 HB3 PHE A 107 12.992 -0.630 -8.114 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.661 1.162 -5.274 1.00 0.00 H new ATOM 0 HD2 PHE A 107 15.175 -1.422 -8.667 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.035 0.823 -4.654 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.552 -1.767 -8.039 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.481 -0.641 -6.034 1.00 0.00 H new ATOM 1662 N ARG A 108 13.615 1.194 -10.330 1.00 0.00 N ATOM 1663 CA ARG A 108 14.468 1.272 -11.551 1.00 0.00 C ATOM 1664 C ARG A 108 14.814 2.731 -11.863 1.00 0.00 C ATOM 1665 O ARG A 108 15.922 3.037 -12.258 1.00 0.00 O ATOM 1666 CB ARG A 108 13.716 0.676 -12.742 1.00 0.00 C ATOM 1667 CG ARG A 108 13.593 -0.841 -12.570 1.00 0.00 C ATOM 1668 CD ARG A 108 12.849 -1.432 -13.772 1.00 0.00 C ATOM 1669 NE ARG A 108 12.296 -2.779 -13.414 1.00 0.00 N ATOM 1670 CZ ARG A 108 13.057 -3.726 -12.932 1.00 0.00 C ATOM 1671 NH1 ARG A 108 14.356 -3.602 -12.933 1.00 0.00 N ATOM 1672 NH2 ARG A 108 12.514 -4.831 -12.498 1.00 0.00 N ATOM 0 H ARG A 108 12.697 0.771 -10.466 1.00 0.00 H new ATOM 0 HA ARG A 108 15.386 0.712 -11.372 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.725 1.124 -12.820 1.00 0.00 H new ATOM 0 HB3 ARG A 108 14.243 0.905 -13.668 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.583 -1.290 -12.485 1.00 0.00 H new ATOM 0 HG3 ARG A 108 13.058 -1.071 -11.649 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.041 -0.766 -14.075 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.525 -1.520 -14.622 1.00 0.00 H new ATOM 0 HE ARG A 108 11.302 -2.961 -13.550 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.788 -2.759 -13.313 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.940 -4.348 -12.554 1.00 0.00 H new ATOM 0 HH21 ARG A 108 11.502 -4.951 -12.536 1.00 0.00 H new ATOM 0 HH22 ARG A 108 13.102 -5.574 -12.121 1.00 0.00 H new ATOM 1686 N GLU A 109 13.884 3.637 -11.706 1.00 0.00 N ATOM 1687 CA GLU A 109 14.186 5.068 -12.016 1.00 0.00 C ATOM 1688 C GLU A 109 14.831 5.748 -10.804 1.00 0.00 C ATOM 1689 O GLU A 109 15.329 6.852 -10.899 1.00 0.00 O ATOM 1690 CB GLU A 109 12.893 5.802 -12.379 1.00 0.00 C ATOM 1691 CG GLU A 109 12.360 5.266 -13.709 1.00 0.00 C ATOM 1692 CD GLU A 109 11.073 6.004 -14.080 1.00 0.00 C ATOM 1693 OE1 GLU A 109 10.571 6.737 -13.244 1.00 0.00 O ATOM 1694 OE2 GLU A 109 10.616 5.831 -15.198 1.00 0.00 O ATOM 0 H GLU A 109 12.936 3.451 -11.379 1.00 0.00 H new ATOM 0 HA GLU A 109 14.878 5.105 -12.857 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.150 5.662 -11.594 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.079 6.873 -12.454 1.00 0.00 H new ATOM 0 HG2 GLU A 109 13.106 5.400 -14.492 1.00 0.00 H new ATOM 0 HG3 GLU A 109 12.168 4.196 -13.631 1.00 0.00 H new ATOM 1701 N GLY A 110 14.838 5.105 -9.668 1.00 0.00 N ATOM 1702 CA GLY A 110 15.466 5.730 -8.470 1.00 0.00 C ATOM 1703 C GLY A 110 14.607 6.898 -7.986 1.00 0.00 C ATOM 1704 O GLY A 110 14.952 7.586 -7.046 1.00 0.00 O ATOM 0 H GLY A 110 14.438 4.179 -9.518 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.572 4.991 -7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.469 6.081 -8.715 1.00 0.00 H new ATOM 1708 N ARG A 111 13.483 7.126 -8.615 1.00 0.00 N ATOM 1709 CA ARG A 111 12.596 8.248 -8.183 1.00 0.00 C ATOM 1710 C ARG A 111 11.553 7.689 -7.221 1.00 0.00 C ATOM 1711 O ARG A 111 10.661 6.963 -7.608 1.00 0.00 O ATOM 1712 CB ARG A 111 11.901 8.850 -9.404 1.00 0.00 C ATOM 1713 CG ARG A 111 12.933 9.585 -10.259 1.00 0.00 C ATOM 1714 CD ARG A 111 12.248 10.192 -11.484 1.00 0.00 C ATOM 1715 NE ARG A 111 13.267 10.864 -12.338 1.00 0.00 N ATOM 1716 CZ ARG A 111 12.977 11.188 -13.568 1.00 0.00 C ATOM 1717 NH1 ARG A 111 11.792 10.929 -14.051 1.00 0.00 N ATOM 1718 NH2 ARG A 111 13.871 11.772 -14.317 1.00 0.00 N ATOM 0 H ARG A 111 13.141 6.584 -9.409 1.00 0.00 H new ATOM 0 HA ARG A 111 13.181 9.025 -7.692 1.00 0.00 H new ATOM 0 HB2 ARG A 111 11.421 8.065 -9.988 1.00 0.00 H new ATOM 0 HB3 ARG A 111 11.117 9.538 -9.088 1.00 0.00 H new ATOM 0 HG2 ARG A 111 13.413 10.369 -9.673 1.00 0.00 H new ATOM 0 HG3 ARG A 111 13.717 8.896 -10.573 1.00 0.00 H new ATOM 0 HD2 ARG A 111 11.737 9.414 -12.052 1.00 0.00 H new ATOM 0 HD3 ARG A 111 11.489 10.909 -11.172 1.00 0.00 H new ATOM 0 HE ARG A 111 14.192 11.071 -11.961 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.092 10.473 -13.466 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.567 11.183 -15.013 1.00 0.00 H new ATOM 0 HH21 ARG A 111 14.797 11.975 -13.941 1.00 0.00 H new ATOM 0 HH22 ARG A 111 13.644 12.025 -15.279 1.00 0.00 H new ATOM 1732 N PHE A 112 11.680 7.999 -5.961 1.00 0.00 N ATOM 1733 CA PHE A 112 10.724 7.469 -4.946 1.00 0.00 C ATOM 1734 C PHE A 112 9.653 8.514 -4.632 1.00 0.00 C ATOM 1735 O PHE A 112 9.949 9.628 -4.247 1.00 0.00 O ATOM 1736 CB PHE A 112 11.530 7.119 -3.700 1.00 0.00 C ATOM 1737 CG PHE A 112 12.648 6.214 -4.143 1.00 0.00 C ATOM 1738 CD1 PHE A 112 12.423 4.843 -4.259 1.00 0.00 C ATOM 1739 CD2 PHE A 112 13.900 6.750 -4.473 1.00 0.00 C ATOM 1740 CE1 PHE A 112 13.447 4.002 -4.703 1.00 0.00 C ATOM 1741 CE2 PHE A 112 14.927 5.906 -4.915 1.00 0.00 C ATOM 1742 CZ PHE A 112 14.699 4.532 -5.031 1.00 0.00 C ATOM 0 H PHE A 112 12.412 8.603 -5.587 1.00 0.00 H new ATOM 0 HA PHE A 112 10.211 6.583 -5.320 1.00 0.00 H new ATOM 0 HB2 PHE A 112 11.925 8.020 -3.230 1.00 0.00 H new ATOM 0 HB3 PHE A 112 10.902 6.623 -2.960 1.00 0.00 H new ATOM 0 HD1 PHE A 112 11.457 4.431 -4.006 1.00 0.00 H new ATOM 0 HD2 PHE A 112 14.073 7.813 -4.387 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.271 2.940 -4.793 1.00 0.00 H new ATOM 0 HE2 PHE A 112 15.894 6.317 -5.166 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.489 3.880 -5.374 1.00 0.00 H new ATOM 1752 N ASN A 113 8.406 8.161 -4.797 1.00 0.00 N ATOM 1753 CA ASN A 113 7.311 9.130 -4.514 1.00 0.00 C ATOM 1754 C ASN A 113 6.010 8.370 -4.245 1.00 0.00 C ATOM 1755 CB ASN A 113 7.126 10.057 -5.718 1.00 0.00 C ATOM 1756 CG ASN A 113 6.715 9.240 -6.946 1.00 0.00 C ATOM 1757 OD1 ASN A 113 6.318 8.098 -6.829 1.00 0.00 O ATOM 1758 ND2 ASN A 113 6.797 9.782 -8.130 1.00 0.00 N ATOM 1759 OXT ASN A 113 5.913 7.233 -4.674 1.00 0.00 O ATOM 0 H ASN A 113 8.100 7.242 -5.116 1.00 0.00 H new ATOM 0 HA ASN A 113 7.569 9.723 -3.637 1.00 0.00 H new ATOM 0 HB2 ASN A 113 6.366 10.806 -5.498 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.053 10.594 -5.921 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.528 9.247 -8.956 1.00 0.00 H new ATOM 0 HD22 ASN A 113 7.130 10.741 -8.230 1.00 0.00 H new TER 1766 ASN A 113