USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 ASN : amide:sc= 0.73 K(o=1.3,f=-4.4!) USER MOD Set 1.2: A 72 THR OG1 : rot -74:sc= 0.601 USER MOD Set 2.1: A 65 TYR OH : rot 151:sc= 0.823 USER MOD Set 2.2: A 67 LYS NZ :NH3+ 147:sc= 0.941 (180deg=0) USER MOD Set 3.1: A 45 LYS NZ :NH3+ 152:sc= 0.249 (180deg=-0.0994) USER MOD Set 3.2: A 49 SER OG : rot 78:sc= 1.17 USER MOD Set 4.1: A 38 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 40 ASN : amide:sc= -0.127 X(o=-0.13,f=0.11) USER MOD Set 5.1: A 11 THR OG1 : rot -79:sc= 0.363 USER MOD Set 5.2: A 34 THR OG1 : rot 180:sc= 0.525 USER MOD Single : A 13 GLN : amide:sc= -0.92 X(o=-0.92,f=-0.95) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= -0.0519 (180deg=-0.259) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.496 USER MOD Single : A 22 THR OG1 : rot -69:sc= 0.517 USER MOD Single : A 28 THR OG1 : rot 7:sc= 0.419 USER MOD Single : A 33 HIS : no HD1:sc= -0.0212 K(o=-0.021,f=-0.59) USER MOD Single : A 41 MET CE :methyl -179:sc= -1.37 (180deg=-1.41) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 100:sc= -1.47! USER MOD Single : A 58 THR OG1 : rot -150:sc= 0.278 USER MOD Single : A 73 SER OG : rot 30:sc= 0.131 USER MOD Single : A 76 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00549) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.357 F(o=-1.4,f=-0.36) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot -100:sc= -3.51! USER MOD ----------------------------------------------------------------- ATOM 84 N LEU A 6 10.446 -15.686 6.315 1.00 0.00 N ATOM 85 CA LEU A 6 10.790 -14.496 5.518 1.00 0.00 C ATOM 86 C LEU A 6 12.011 -14.786 4.624 1.00 0.00 C ATOM 87 O LEU A 6 13.096 -15.092 5.129 1.00 0.00 O ATOM 88 CB LEU A 6 11.047 -13.273 6.452 1.00 0.00 C ATOM 89 CG LEU A 6 9.793 -12.626 7.153 1.00 0.00 C ATOM 90 CD1 LEU A 6 8.951 -13.620 7.993 1.00 0.00 C ATOM 91 CD2 LEU A 6 10.212 -11.413 8.005 1.00 0.00 C ATOM 0 HA LEU A 6 9.950 -14.250 4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 6 11.746 -13.582 7.229 1.00 0.00 H new ATOM 0 HB3 LEU A 6 11.543 -12.499 5.866 1.00 0.00 H new ATOM 0 HG LEU A 6 9.140 -12.297 6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.108 -13.094 8.441 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.581 -14.418 7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.572 -14.048 8.780 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.332 -10.981 8.480 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.918 -11.733 8.771 1.00 0.00 H new ATOM 0 HD23 LEU A 6 10.683 -10.666 7.367 1.00 0.00 H new ATOM 103 N ARG A 7 11.811 -14.711 3.295 1.00 0.00 N ATOM 104 CA ARG A 7 12.825 -15.084 2.277 1.00 0.00 C ATOM 105 C ARG A 7 13.116 -13.910 1.306 1.00 0.00 C ATOM 106 O ARG A 7 14.225 -13.791 0.778 1.00 0.00 O ATOM 107 CB ARG A 7 12.322 -16.318 1.467 1.00 0.00 C ATOM 108 CG ARG A 7 11.008 -16.061 0.690 1.00 0.00 C ATOM 109 CD ARG A 7 10.677 -17.137 -0.354 1.00 0.00 C ATOM 110 NE ARG A 7 9.648 -16.663 -1.300 1.00 0.00 N ATOM 111 CZ ARG A 7 9.304 -17.269 -2.447 1.00 0.00 C ATOM 112 NH1 ARG A 7 9.830 -18.438 -2.792 1.00 0.00 N ATOM 113 NH2 ARG A 7 8.427 -16.694 -3.252 1.00 0.00 N ATOM 0 H ARG A 7 10.934 -14.387 2.888 1.00 0.00 H new ATOM 0 HA ARG A 7 13.751 -15.329 2.797 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.097 -16.619 0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.171 -17.153 2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.185 -15.995 1.401 1.00 0.00 H new ATOM 0 HG3 ARG A 7 11.077 -15.094 0.191 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.580 -17.407 -0.901 1.00 0.00 H new ATOM 0 HD3 ARG A 7 10.326 -18.039 0.148 1.00 0.00 H new ATOM 0 HE ARG A 7 9.157 -15.802 -1.062 1.00 0.00 H new ATOM 0 HH11 ARG A 7 10.509 -18.892 -2.181 1.00 0.00 H new ATOM 0 HH12 ARG A 7 9.555 -18.882 -3.668 1.00 0.00 H new ATOM 0 HH21 ARG A 7 8.016 -15.795 -3.000 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.161 -17.149 -4.125 1.00 0.00 H new ATOM 127 N ASP A 8 12.101 -13.049 1.092 1.00 0.00 N ATOM 128 CA ASP A 8 12.107 -11.946 0.103 1.00 0.00 C ATOM 129 C ASP A 8 12.418 -10.604 0.801 1.00 0.00 C ATOM 130 O ASP A 8 12.749 -10.574 1.996 1.00 0.00 O ATOM 131 CB ASP A 8 10.707 -11.855 -0.583 1.00 0.00 C ATOM 132 CG ASP A 8 10.253 -13.161 -1.258 1.00 0.00 C ATOM 133 OD1 ASP A 8 11.024 -13.725 -2.049 1.00 0.00 O ATOM 134 OD2 ASP A 8 9.131 -13.644 -0.977 1.00 0.00 O ATOM 0 H ASP A 8 11.228 -13.101 1.617 1.00 0.00 H new ATOM 0 HA ASP A 8 12.875 -12.147 -0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.966 -11.568 0.163 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.731 -11.062 -1.330 1.00 0.00 H new ATOM 139 N ARG A 9 12.304 -9.495 0.031 1.00 0.00 N ATOM 140 CA ARG A 9 12.363 -8.115 0.559 1.00 0.00 C ATOM 141 C ARG A 9 11.319 -7.229 -0.139 1.00 0.00 C ATOM 142 O ARG A 9 11.052 -7.389 -1.339 1.00 0.00 O ATOM 143 CB ARG A 9 13.758 -7.456 0.378 1.00 0.00 C ATOM 144 CG ARG A 9 14.906 -8.127 1.148 1.00 0.00 C ATOM 145 CD ARG A 9 16.216 -7.332 1.068 1.00 0.00 C ATOM 146 NE ARG A 9 16.703 -7.171 -0.322 1.00 0.00 N ATOM 147 CZ ARG A 9 17.254 -6.052 -0.824 1.00 0.00 C ATOM 148 NH1 ARG A 9 17.353 -4.955 -0.083 1.00 0.00 N ATOM 149 NH2 ARG A 9 17.708 -6.034 -2.070 1.00 0.00 N ATOM 0 H ARG A 9 12.168 -9.536 -0.979 1.00 0.00 H new ATOM 0 HA ARG A 9 12.157 -8.193 1.627 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.006 -7.455 -0.683 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.693 -6.414 0.691 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.619 -8.242 2.193 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.069 -9.129 0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.067 -6.348 1.513 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.979 -7.837 1.660 1.00 0.00 H new ATOM 0 HE ARG A 9 16.613 -7.972 -0.947 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.009 -4.956 0.877 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.773 -4.112 -0.474 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.640 -6.870 -2.650 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.126 -5.184 -2.448 1.00 0.00 H new ATOM 163 N ILE A 10 10.772 -6.267 0.624 1.00 0.00 N ATOM 164 CA ILE A 10 9.775 -5.280 0.142 1.00 0.00 C ATOM 165 C ILE A 10 10.167 -3.881 0.650 1.00 0.00 C ATOM 166 O ILE A 10 10.752 -3.760 1.728 1.00 0.00 O ATOM 167 CB ILE A 10 8.289 -5.602 0.602 1.00 0.00 C ATOM 168 CG1 ILE A 10 8.005 -5.276 2.119 1.00 0.00 C ATOM 169 CG2 ILE A 10 7.886 -7.056 0.268 1.00 0.00 C ATOM 170 CD1 ILE A 10 8.886 -5.958 3.141 1.00 0.00 C ATOM 0 H ILE A 10 11.010 -6.147 1.609 1.00 0.00 H new ATOM 0 HA ILE A 10 9.785 -5.327 -0.947 1.00 0.00 H new ATOM 0 HB ILE A 10 7.660 -4.926 0.022 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.096 -4.199 2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.969 -5.539 2.334 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.863 -7.235 0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.952 -7.214 -0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.558 -7.746 0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.587 -5.649 4.143 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.781 -7.039 3.048 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.925 -5.678 2.970 1.00 0.00 H new ATOM 182 N THR A 11 9.827 -2.841 -0.113 1.00 0.00 N ATOM 183 CA THR A 11 10.105 -1.450 0.249 1.00 0.00 C ATOM 184 C THR A 11 8.788 -0.765 0.648 1.00 0.00 C ATOM 185 O THR A 11 7.808 -0.814 -0.110 1.00 0.00 O ATOM 186 CB THR A 11 10.780 -0.692 -0.937 1.00 0.00 C ATOM 187 OG1 THR A 11 11.796 -1.532 -1.503 1.00 0.00 O ATOM 188 CG2 THR A 11 11.425 0.630 -0.475 1.00 0.00 C ATOM 0 H THR A 11 9.347 -2.941 -1.007 1.00 0.00 H new ATOM 0 HA THR A 11 10.797 -1.429 1.091 1.00 0.00 H new ATOM 0 HB THR A 11 10.012 -0.455 -1.673 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.599 -1.498 -0.942 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.884 1.128 -1.329 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.660 1.277 -0.045 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.187 0.420 0.276 1.00 0.00 H new ATOM 196 N ILE A 12 8.772 -0.163 1.852 1.00 0.00 N ATOM 197 CA ILE A 12 7.588 0.514 2.402 1.00 0.00 C ATOM 198 C ILE A 12 7.392 1.881 1.721 1.00 0.00 C ATOM 199 O ILE A 12 8.207 2.794 1.890 1.00 0.00 O ATOM 200 CB ILE A 12 7.701 0.716 3.964 1.00 0.00 C ATOM 201 CG1 ILE A 12 7.990 -0.635 4.689 1.00 0.00 C ATOM 202 CG2 ILE A 12 6.430 1.402 4.537 1.00 0.00 C ATOM 203 CD1 ILE A 12 6.936 -1.717 4.502 1.00 0.00 C ATOM 0 H ILE A 12 9.583 -0.134 2.470 1.00 0.00 H new ATOM 0 HA ILE A 12 6.727 -0.124 2.203 1.00 0.00 H new ATOM 0 HB ILE A 12 8.546 1.379 4.151 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.947 -1.019 4.336 1.00 0.00 H new ATOM 0 HG13 ILE A 12 8.099 -0.439 5.756 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.538 1.527 5.614 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.301 2.378 4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.557 0.783 4.330 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.234 -2.613 5.046 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.979 -1.362 4.884 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.840 -1.952 3.442 1.00 0.00 H new ATOM 215 N GLN A 13 6.327 1.992 0.926 1.00 0.00 N ATOM 216 CA GLN A 13 5.898 3.257 0.318 1.00 0.00 C ATOM 217 C GLN A 13 4.831 3.908 1.186 1.00 0.00 C ATOM 218 O GLN A 13 3.660 3.561 1.127 1.00 0.00 O ATOM 219 CB GLN A 13 5.393 3.068 -1.135 1.00 0.00 C ATOM 220 CG GLN A 13 6.506 2.789 -2.153 1.00 0.00 C ATOM 221 CD GLN A 13 5.993 2.633 -3.582 1.00 0.00 C ATOM 222 OE1 GLN A 13 4.949 3.177 -3.951 1.00 0.00 O ATOM 223 NE2 GLN A 13 6.738 1.927 -4.407 1.00 0.00 N ATOM 0 H GLN A 13 5.731 1.201 0.682 1.00 0.00 H new ATOM 0 HA GLN A 13 6.766 3.914 0.262 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.681 2.243 -1.156 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.853 3.964 -1.440 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.230 3.603 -2.121 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.035 1.881 -1.863 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.596 1.489 -4.072 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.457 1.818 -5.381 1.00 0.00 H new ATOM 232 N THR A 14 5.286 4.828 2.015 1.00 0.00 N ATOM 233 CA THR A 14 4.436 5.604 2.914 1.00 0.00 C ATOM 234 C THR A 14 3.812 6.784 2.129 1.00 0.00 C ATOM 235 O THR A 14 4.418 7.266 1.169 1.00 0.00 O ATOM 236 CB THR A 14 5.293 6.118 4.114 1.00 0.00 C ATOM 237 OG1 THR A 14 6.225 5.099 4.503 1.00 0.00 O ATOM 238 CG2 THR A 14 4.429 6.479 5.319 1.00 0.00 C ATOM 0 H THR A 14 6.275 5.066 2.088 1.00 0.00 H new ATOM 0 HA THR A 14 3.630 4.984 3.306 1.00 0.00 H new ATOM 0 HB THR A 14 5.814 7.017 3.786 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.765 5.420 5.255 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.066 6.832 6.131 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.727 7.265 5.041 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.877 5.599 5.648 1.00 0.00 H new ATOM 246 N LEU A 15 2.606 7.247 2.505 1.00 0.00 N ATOM 247 CA LEU A 15 1.944 8.356 1.796 1.00 0.00 C ATOM 248 C LEU A 15 2.367 9.690 2.423 1.00 0.00 C ATOM 249 O LEU A 15 1.847 10.090 3.474 1.00 0.00 O ATOM 250 CB LEU A 15 0.403 8.196 1.827 1.00 0.00 C ATOM 251 CG LEU A 15 -0.411 9.268 1.042 1.00 0.00 C ATOM 252 CD1 LEU A 15 -0.040 9.272 -0.457 1.00 0.00 C ATOM 253 CD2 LEU A 15 -1.927 9.083 1.261 1.00 0.00 C ATOM 0 H LEU A 15 2.073 6.873 3.290 1.00 0.00 H new ATOM 0 HA LEU A 15 2.253 8.340 0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.152 7.213 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.077 8.211 2.867 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.143 10.248 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.626 10.031 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.021 9.494 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.253 8.293 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.471 9.844 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.227 8.094 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.156 9.180 2.322 1.00 0.00 H new ATOM 265 N LYS A 16 3.345 10.349 1.794 1.00 0.00 N ATOM 266 CA LYS A 16 3.877 11.634 2.247 1.00 0.00 C ATOM 267 C LYS A 16 3.006 12.768 1.692 1.00 0.00 C ATOM 268 O LYS A 16 3.087 13.108 0.507 1.00 0.00 O ATOM 269 CB LYS A 16 5.353 11.796 1.797 1.00 0.00 C ATOM 270 CG LYS A 16 6.101 12.972 2.463 1.00 0.00 C ATOM 271 CD LYS A 16 7.602 13.015 2.090 1.00 0.00 C ATOM 272 CE LYS A 16 8.365 14.124 2.836 1.00 0.00 C ATOM 273 NZ LYS A 16 8.281 13.962 4.313 1.00 0.00 N ATOM 0 H LYS A 16 3.793 10.000 0.947 1.00 0.00 H new ATOM 0 HA LYS A 16 3.855 11.673 3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.889 10.872 2.014 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.377 11.933 0.716 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.631 13.910 2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.002 12.893 3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.057 12.051 2.316 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.701 13.170 1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.411 14.114 2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.959 15.096 2.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.988 14.572 4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.330 14.230 4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.466 12.970 4.564 1.00 0.00 H new ATOM 287 N GLN A 17 2.138 13.303 2.546 1.00 0.00 N ATOM 288 CA GLN A 17 1.244 14.407 2.209 1.00 0.00 C ATOM 289 C GLN A 17 1.976 15.748 2.447 1.00 0.00 C ATOM 290 O GLN A 17 1.902 16.337 3.530 1.00 0.00 O ATOM 291 CB GLN A 17 -0.060 14.264 3.034 1.00 0.00 C ATOM 292 CG GLN A 17 -0.849 12.972 2.722 1.00 0.00 C ATOM 293 CD GLN A 17 -2.176 12.880 3.473 1.00 0.00 C ATOM 294 OE1 GLN A 17 -2.243 12.355 4.583 1.00 0.00 O ATOM 295 NE2 GLN A 17 -3.242 13.399 2.881 1.00 0.00 N ATOM 0 H GLN A 17 2.034 12.977 3.507 1.00 0.00 H new ATOM 0 HA GLN A 17 0.964 14.385 1.156 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.187 14.282 4.095 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.699 15.126 2.841 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.041 12.922 1.650 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.234 12.108 2.977 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.155 13.828 1.960 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.149 13.369 3.347 1.00 0.00 H new ATOM 304 N THR A 18 2.722 16.187 1.418 1.00 0.00 N ATOM 305 CA THR A 18 3.600 17.363 1.481 1.00 0.00 C ATOM 306 C THR A 18 2.853 18.617 1.028 1.00 0.00 C ATOM 307 O THR A 18 2.299 18.638 -0.069 1.00 0.00 O ATOM 308 CB THR A 18 4.862 17.139 0.593 1.00 0.00 C ATOM 309 OG1 THR A 18 5.537 15.953 1.032 1.00 0.00 O ATOM 310 CG2 THR A 18 5.837 18.331 0.641 1.00 0.00 C ATOM 0 H THR A 18 2.730 15.727 0.508 1.00 0.00 H new ATOM 0 HA THR A 18 3.915 17.504 2.515 1.00 0.00 H new ATOM 0 HB THR A 18 4.527 17.037 -0.439 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.331 15.804 0.477 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.698 18.123 0.006 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.332 19.229 0.285 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.172 18.486 1.667 1.00 0.00 H new ATOM 318 N ARG A 19 2.851 19.661 1.865 1.00 0.00 N ATOM 319 CA ARG A 19 2.103 20.888 1.584 1.00 0.00 C ATOM 320 C ARG A 19 2.863 21.781 0.579 1.00 0.00 C ATOM 321 O ARG A 19 4.096 21.808 0.568 1.00 0.00 O ATOM 322 CB ARG A 19 1.788 21.645 2.898 1.00 0.00 C ATOM 323 CG ARG A 19 0.720 22.756 2.744 1.00 0.00 C ATOM 324 CD ARG A 19 0.341 23.431 4.069 1.00 0.00 C ATOM 325 NE ARG A 19 1.471 24.152 4.677 1.00 0.00 N ATOM 326 CZ ARG A 19 1.366 25.060 5.657 1.00 0.00 C ATOM 327 NH1 ARG A 19 0.186 25.362 6.182 1.00 0.00 N ATOM 328 NH2 ARG A 19 2.455 25.657 6.121 1.00 0.00 N ATOM 0 H ARG A 19 3.363 19.678 2.747 1.00 0.00 H new ATOM 0 HA ARG A 19 1.154 20.616 1.122 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.447 20.929 3.645 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.708 22.089 3.279 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.092 23.513 2.054 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.176 22.328 2.295 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.480 24.127 3.897 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.022 22.676 4.767 1.00 0.00 H new ATOM 0 HE ARG A 19 2.406 23.945 4.325 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.657 24.901 5.840 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.122 26.055 6.927 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.369 25.425 5.732 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.379 26.349 6.867 1.00 0.00 H new ATOM 342 N ASP A 20 2.102 22.523 -0.242 1.00 0.00 N ATOM 343 CA ASP A 20 2.636 23.384 -1.320 1.00 0.00 C ATOM 344 C ASP A 20 2.793 24.815 -0.782 1.00 0.00 C ATOM 345 O ASP A 20 2.251 25.128 0.276 1.00 0.00 O ATOM 346 CB ASP A 20 1.668 23.356 -2.541 1.00 0.00 C ATOM 347 CG ASP A 20 2.189 24.101 -3.788 1.00 0.00 C ATOM 348 OD1 ASP A 20 2.964 23.514 -4.570 1.00 0.00 O ATOM 349 OD2 ASP A 20 1.828 25.278 -3.989 1.00 0.00 O ATOM 0 H ASP A 20 1.084 22.545 -0.178 1.00 0.00 H new ATOM 0 HA ASP A 20 3.609 23.018 -1.647 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.472 22.318 -2.809 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.715 23.794 -2.243 1.00 0.00 H new ATOM 354 N ILE A 21 3.531 25.672 -1.509 1.00 0.00 N ATOM 355 CA ILE A 21 3.695 27.111 -1.189 1.00 0.00 C ATOM 356 C ILE A 21 2.356 27.915 -1.259 1.00 0.00 C ATOM 357 O ILE A 21 2.284 29.044 -0.769 1.00 0.00 O ATOM 358 CB ILE A 21 4.796 27.741 -2.140 1.00 0.00 C ATOM 359 CG1 ILE A 21 5.185 29.200 -1.710 1.00 0.00 C ATOM 360 CG2 ILE A 21 4.347 27.686 -3.622 1.00 0.00 C ATOM 361 CD1 ILE A 21 6.352 29.816 -2.475 1.00 0.00 C ATOM 0 H ILE A 21 4.039 25.387 -2.346 1.00 0.00 H new ATOM 0 HA ILE A 21 4.024 27.182 -0.152 1.00 0.00 H new ATOM 0 HB ILE A 21 5.696 27.134 -2.039 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.313 29.842 -1.832 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.431 29.195 -0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.120 28.124 -4.253 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.185 26.649 -3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.420 28.246 -3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.540 30.823 -2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.243 29.204 -2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.108 29.862 -3.536 1.00 0.00 H new ATOM 373 N THR A 22 1.276 27.310 -1.807 1.00 0.00 N ATOM 374 CA THR A 22 -0.074 27.934 -1.846 1.00 0.00 C ATOM 375 C THR A 22 -0.983 27.258 -0.786 1.00 0.00 C ATOM 376 O THR A 22 -2.116 27.684 -0.545 1.00 0.00 O ATOM 377 CB THR A 22 -0.728 27.800 -3.261 1.00 0.00 C ATOM 378 OG1 THR A 22 -0.898 26.410 -3.593 1.00 0.00 O ATOM 379 CG2 THR A 22 0.101 28.484 -4.360 1.00 0.00 C ATOM 0 H THR A 22 1.311 26.383 -2.232 1.00 0.00 H new ATOM 0 HA THR A 22 0.035 28.996 -1.626 1.00 0.00 H new ATOM 0 HB THR A 22 -1.695 28.301 -3.213 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.020 25.998 -3.734 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.398 28.361 -5.321 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.198 29.546 -4.135 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.091 28.031 -4.404 1.00 0.00 H new ATOM 387 N GLY A 23 -0.452 26.190 -0.175 1.00 0.00 N ATOM 388 CA GLY A 23 -1.129 25.452 0.882 1.00 0.00 C ATOM 389 C GLY A 23 -2.044 24.364 0.355 1.00 0.00 C ATOM 390 O GLY A 23 -3.218 24.287 0.731 1.00 0.00 O ATOM 0 H GLY A 23 0.468 25.817 -0.408 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.384 25.005 1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.711 26.147 1.487 1.00 0.00 H new ATOM 394 N GLU A 24 -1.498 23.528 -0.537 1.00 0.00 N ATOM 395 CA GLU A 24 -2.176 22.333 -1.065 1.00 0.00 C ATOM 396 C GLU A 24 -1.510 21.084 -0.477 1.00 0.00 C ATOM 397 O GLU A 24 -0.290 21.030 -0.394 1.00 0.00 O ATOM 398 CB GLU A 24 -2.074 22.281 -2.610 1.00 0.00 C ATOM 399 CG GLU A 24 -2.726 23.458 -3.338 1.00 0.00 C ATOM 400 CD GLU A 24 -2.555 23.362 -4.860 1.00 0.00 C ATOM 401 OE1 GLU A 24 -1.524 23.838 -5.389 1.00 0.00 O ATOM 402 OE2 GLU A 24 -3.428 22.776 -5.537 1.00 0.00 O ATOM 0 H GLU A 24 -0.562 23.662 -0.918 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.229 22.373 -0.786 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.021 22.238 -2.889 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.534 21.357 -2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.788 23.491 -3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.288 24.391 -2.983 1.00 0.00 H new ATOM 409 N ILE A 25 -2.303 20.082 -0.085 1.00 0.00 N ATOM 410 CA ILE A 25 -1.780 18.814 0.449 1.00 0.00 C ATOM 411 C ILE A 25 -1.511 17.826 -0.714 1.00 0.00 C ATOM 412 O ILE A 25 -2.442 17.206 -1.241 1.00 0.00 O ATOM 413 CB ILE A 25 -2.783 18.213 1.507 1.00 0.00 C ATOM 414 CG1 ILE A 25 -2.992 19.204 2.702 1.00 0.00 C ATOM 415 CG2 ILE A 25 -2.323 16.831 2.015 1.00 0.00 C ATOM 416 CD1 ILE A 25 -1.741 19.520 3.514 1.00 0.00 C ATOM 0 H ILE A 25 -3.321 20.123 -0.127 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.835 18.996 0.960 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.740 18.072 1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.397 20.138 2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.744 18.786 3.372 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.042 16.453 2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.257 16.138 1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.345 16.924 2.487 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.993 20.214 4.316 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.343 18.600 3.942 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.991 19.973 2.865 1.00 0.00 H new ATOM 428 N LEU A 26 -0.234 17.723 -1.130 1.00 0.00 N ATOM 429 CA LEU A 26 0.199 16.837 -2.232 1.00 0.00 C ATOM 430 C LEU A 26 0.426 15.421 -1.699 1.00 0.00 C ATOM 431 O LEU A 26 1.390 15.168 -0.972 1.00 0.00 O ATOM 432 CB LEU A 26 1.506 17.353 -2.929 1.00 0.00 C ATOM 433 CG LEU A 26 1.359 18.558 -3.906 1.00 0.00 C ATOM 434 CD1 LEU A 26 0.402 18.220 -5.069 1.00 0.00 C ATOM 435 CD2 LEU A 26 0.946 19.844 -3.172 1.00 0.00 C ATOM 0 H LEU A 26 0.530 18.253 -0.711 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.594 16.834 -2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.217 17.632 -2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.947 16.522 -3.480 1.00 0.00 H new ATOM 0 HG LEU A 26 2.340 18.750 -4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.319 19.080 -5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.792 17.367 -5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.582 17.974 -4.670 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.855 20.659 -3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.012 19.688 -2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.702 20.098 -2.429 1.00 0.00 H new ATOM 447 N GLU A 27 -0.467 14.508 -2.079 1.00 0.00 N ATOM 448 CA GLU A 27 -0.340 13.095 -1.751 1.00 0.00 C ATOM 449 C GLU A 27 0.651 12.452 -2.726 1.00 0.00 C ATOM 450 O GLU A 27 0.379 12.352 -3.923 1.00 0.00 O ATOM 451 CB GLU A 27 -1.721 12.408 -1.828 1.00 0.00 C ATOM 452 CG GLU A 27 -2.746 12.966 -0.833 1.00 0.00 C ATOM 453 CD GLU A 27 -4.124 12.308 -0.975 1.00 0.00 C ATOM 454 OE1 GLU A 27 -4.937 12.775 -1.801 1.00 0.00 O ATOM 455 OE2 GLU A 27 -4.392 11.297 -0.288 1.00 0.00 O ATOM 0 H GLU A 27 -1.300 14.731 -2.624 1.00 0.00 H new ATOM 0 HA GLU A 27 0.033 12.977 -0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.114 12.516 -2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.596 11.341 -1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.379 12.817 0.183 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.844 14.041 -0.982 1.00 0.00 H new ATOM 462 N THR A 28 1.807 12.065 -2.193 1.00 0.00 N ATOM 463 CA THR A 28 2.892 11.410 -2.947 1.00 0.00 C ATOM 464 C THR A 28 3.371 10.189 -2.153 1.00 0.00 C ATOM 465 O THR A 28 3.221 10.149 -0.933 1.00 0.00 O ATOM 466 CB THR A 28 4.087 12.398 -3.229 1.00 0.00 C ATOM 467 OG1 THR A 28 4.405 13.146 -2.047 1.00 0.00 O ATOM 468 CG2 THR A 28 3.778 13.368 -4.385 1.00 0.00 C ATOM 0 H THR A 28 2.028 12.197 -1.206 1.00 0.00 H new ATOM 0 HA THR A 28 2.509 11.096 -3.918 1.00 0.00 H new ATOM 0 HB THR A 28 4.943 11.790 -3.522 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.879 12.806 -1.293 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.630 14.029 -4.543 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.586 12.800 -5.295 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.899 13.962 -4.136 1.00 0.00 H new ATOM 476 N TRP A 29 3.931 9.199 -2.846 1.00 0.00 N ATOM 477 CA TRP A 29 4.362 7.938 -2.232 1.00 0.00 C ATOM 478 C TRP A 29 5.881 7.958 -2.076 1.00 0.00 C ATOM 479 O TRP A 29 6.620 7.867 -3.060 1.00 0.00 O ATOM 480 CB TRP A 29 3.867 6.731 -3.073 1.00 0.00 C ATOM 481 CG TRP A 29 2.358 6.623 -3.077 1.00 0.00 C ATOM 482 CD1 TRP A 29 1.487 7.100 -4.017 1.00 0.00 C ATOM 483 CD2 TRP A 29 1.549 6.044 -2.050 1.00 0.00 C ATOM 484 NE1 TRP A 29 0.198 6.821 -3.654 1.00 0.00 N ATOM 485 CE2 TRP A 29 0.206 6.179 -2.444 1.00 0.00 C ATOM 486 CE3 TRP A 29 1.834 5.415 -0.839 1.00 0.00 C ATOM 487 CZ2 TRP A 29 -0.848 5.710 -1.669 1.00 0.00 C ATOM 488 CZ3 TRP A 29 0.790 4.950 -0.073 1.00 0.00 C ATOM 489 CH2 TRP A 29 -0.538 5.103 -0.481 1.00 0.00 C ATOM 0 H TRP A 29 4.100 9.246 -3.851 1.00 0.00 H new ATOM 0 HA TRP A 29 3.921 7.828 -1.241 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.226 6.832 -4.097 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.295 5.811 -2.674 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.775 7.622 -4.917 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.634 7.053 -4.196 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.855 5.295 -0.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.873 5.820 -1.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.001 4.456 0.864 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.333 4.736 0.151 1.00 0.00 H new ATOM 500 N GLU A 30 6.316 8.152 -0.827 1.00 0.00 N ATOM 501 CA GLU A 30 7.733 8.193 -0.454 1.00 0.00 C ATOM 502 C GLU A 30 8.232 6.757 -0.230 1.00 0.00 C ATOM 503 O GLU A 30 7.505 5.925 0.330 1.00 0.00 O ATOM 504 CB GLU A 30 7.926 9.050 0.831 1.00 0.00 C ATOM 505 CG GLU A 30 7.384 8.420 2.134 1.00 0.00 C ATOM 506 CD GLU A 30 7.522 9.300 3.384 1.00 0.00 C ATOM 507 OE1 GLU A 30 8.645 9.768 3.675 1.00 0.00 O ATOM 508 OE2 GLU A 30 6.515 9.499 4.103 1.00 0.00 O ATOM 0 H GLU A 30 5.685 8.287 -0.037 1.00 0.00 H new ATOM 0 HA GLU A 30 8.312 8.653 -1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.990 9.249 0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.437 10.013 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.331 8.178 1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.906 7.480 2.310 1.00 0.00 H new ATOM 515 N ASP A 31 9.453 6.457 -0.682 1.00 0.00 N ATOM 516 CA ASP A 31 10.088 5.158 -0.417 1.00 0.00 C ATOM 517 C ASP A 31 10.777 5.222 0.955 1.00 0.00 C ATOM 518 O ASP A 31 11.414 6.232 1.302 1.00 0.00 O ATOM 519 CB ASP A 31 11.089 4.753 -1.542 1.00 0.00 C ATOM 520 CG ASP A 31 12.385 5.589 -1.587 1.00 0.00 C ATOM 521 OD1 ASP A 31 12.309 6.799 -1.863 1.00 0.00 O ATOM 522 OD2 ASP A 31 13.482 5.027 -1.370 1.00 0.00 O ATOM 0 H ASP A 31 10.024 7.096 -1.235 1.00 0.00 H new ATOM 0 HA ASP A 31 9.322 4.383 -0.407 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.354 3.704 -1.412 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.585 4.838 -2.505 1.00 0.00 H new ATOM 527 N GLY A 32 10.644 4.144 1.729 1.00 0.00 N ATOM 528 CA GLY A 32 11.126 4.084 3.101 1.00 0.00 C ATOM 529 C GLY A 32 12.246 3.076 3.224 1.00 0.00 C ATOM 530 O GLY A 32 13.344 3.304 2.692 1.00 0.00 O ATOM 0 H GLY A 32 10.195 3.284 1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.478 5.067 3.413 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.308 3.812 3.769 1.00 0.00 H new ATOM 534 N HIS A 33 11.967 1.936 3.881 1.00 0.00 N ATOM 535 CA HIS A 33 12.978 0.892 4.122 1.00 0.00 C ATOM 536 C HIS A 33 12.573 -0.412 3.437 1.00 0.00 C ATOM 537 O HIS A 33 11.391 -0.773 3.405 1.00 0.00 O ATOM 538 CB HIS A 33 13.199 0.646 5.638 1.00 0.00 C ATOM 539 CG HIS A 33 14.288 -0.353 5.929 1.00 0.00 C ATOM 540 ND1 HIS A 33 14.045 -1.604 6.441 1.00 0.00 N ATOM 541 CD2 HIS A 33 15.626 -0.291 5.727 1.00 0.00 C ATOM 542 CE1 HIS A 33 15.179 -2.269 6.535 1.00 0.00 C ATOM 543 NE2 HIS A 33 16.155 -1.494 6.109 1.00 0.00 N ATOM 0 H HIS A 33 11.045 1.714 4.256 1.00 0.00 H new ATOM 0 HA HIS A 33 13.918 1.245 3.698 1.00 0.00 H new ATOM 0 HB2 HIS A 33 13.446 1.592 6.120 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.267 0.296 6.081 1.00 0.00 H new ATOM 0 HD2 HIS A 33 16.175 0.553 5.336 1.00 0.00 H new ATOM 0 HE1 HIS A 33 15.289 -3.279 6.900 1.00 0.00 H new ATOM 0 HE2 HIS A 33 17.142 -1.748 6.070 1.00 0.00 H new ATOM 552 N THR A 34 13.579 -1.107 2.901 1.00 0.00 N ATOM 553 CA THR A 34 13.433 -2.409 2.284 1.00 0.00 C ATOM 554 C THR A 34 13.781 -3.487 3.326 1.00 0.00 C ATOM 555 O THR A 34 14.965 -3.747 3.567 1.00 0.00 O ATOM 556 CB THR A 34 14.367 -2.520 1.037 1.00 0.00 C ATOM 557 OG1 THR A 34 14.209 -1.355 0.207 1.00 0.00 O ATOM 558 CG2 THR A 34 14.059 -3.768 0.205 1.00 0.00 C ATOM 0 H THR A 34 14.539 -0.763 2.888 1.00 0.00 H new ATOM 0 HA THR A 34 12.407 -2.551 1.946 1.00 0.00 H new ATOM 0 HB THR A 34 15.392 -2.594 1.400 1.00 0.00 H new ATOM 0 HG1 THR A 34 14.797 -1.427 -0.573 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.730 -3.808 -0.653 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.200 -4.658 0.818 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.027 -3.727 -0.143 1.00 0.00 H new ATOM 566 N LEU A 35 12.759 -4.058 3.997 1.00 0.00 N ATOM 567 CA LEU A 35 12.953 -5.085 5.051 1.00 0.00 C ATOM 568 C LEU A 35 12.588 -6.488 4.543 1.00 0.00 C ATOM 569 O LEU A 35 12.121 -6.652 3.412 1.00 0.00 O ATOM 570 CB LEU A 35 12.135 -4.765 6.346 1.00 0.00 C ATOM 571 CG LEU A 35 10.567 -4.732 6.217 1.00 0.00 C ATOM 572 CD1 LEU A 35 9.873 -5.124 7.543 1.00 0.00 C ATOM 573 CD2 LEU A 35 10.078 -3.349 5.738 1.00 0.00 C ATOM 0 H LEU A 35 11.781 -3.824 3.828 1.00 0.00 H new ATOM 0 HA LEU A 35 14.013 -5.065 5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.396 -5.506 7.102 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.463 -3.796 6.722 1.00 0.00 H new ATOM 0 HG LEU A 35 10.292 -5.474 5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.791 -5.089 7.412 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.172 -6.134 7.825 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.166 -4.426 8.327 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.991 -3.355 5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.385 -2.587 6.454 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.512 -3.127 4.763 1.00 0.00 H new ATOM 585 N TRP A 36 12.812 -7.482 5.416 1.00 0.00 N ATOM 586 CA TRP A 36 12.547 -8.904 5.142 1.00 0.00 C ATOM 587 C TRP A 36 11.028 -9.191 5.116 1.00 0.00 C ATOM 588 O TRP A 36 10.280 -8.711 5.979 1.00 0.00 O ATOM 589 CB TRP A 36 13.248 -9.785 6.214 1.00 0.00 C ATOM 590 CG TRP A 36 14.658 -9.331 6.556 1.00 0.00 C ATOM 591 CD1 TRP A 36 15.087 -8.797 7.742 1.00 0.00 C ATOM 592 CD2 TRP A 36 15.800 -9.325 5.689 1.00 0.00 C ATOM 593 NE1 TRP A 36 16.420 -8.493 7.669 1.00 0.00 N ATOM 594 CE2 TRP A 36 16.880 -8.800 6.423 1.00 0.00 C ATOM 595 CE3 TRP A 36 16.021 -9.722 4.369 1.00 0.00 C ATOM 596 CZ2 TRP A 36 18.152 -8.656 5.881 1.00 0.00 C ATOM 597 CZ3 TRP A 36 17.282 -9.578 3.834 1.00 0.00 C ATOM 598 CH2 TRP A 36 18.335 -9.053 4.588 1.00 0.00 C ATOM 0 H TRP A 36 13.189 -7.318 6.349 1.00 0.00 H new ATOM 0 HA TRP A 36 12.949 -9.148 4.159 1.00 0.00 H new ATOM 0 HB2 TRP A 36 12.646 -9.783 7.122 1.00 0.00 H new ATOM 0 HB3 TRP A 36 13.284 -10.814 5.857 1.00 0.00 H new ATOM 0 HD1 TRP A 36 14.464 -8.639 8.610 1.00 0.00 H new ATOM 0 HE1 TRP A 36 16.979 -8.100 8.426 1.00 0.00 H new ATOM 0 HE3 TRP A 36 15.217 -10.135 3.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 18.965 -8.245 6.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 17.461 -9.877 2.812 1.00 0.00 H new ATOM 0 HH2 TRP A 36 19.313 -8.960 4.139 1.00 0.00 H new ATOM 609 N ALA A 37 10.604 -9.955 4.102 1.00 0.00 N ATOM 610 CA ALA A 37 9.218 -10.441 3.955 1.00 0.00 C ATOM 611 C ALA A 37 9.197 -11.854 3.388 1.00 0.00 C ATOM 612 O ALA A 37 10.214 -12.364 2.970 1.00 0.00 O ATOM 613 CB ALA A 37 8.401 -9.520 3.047 1.00 0.00 C ATOM 0 H ALA A 37 11.219 -10.260 3.348 1.00 0.00 H new ATOM 0 HA ALA A 37 8.770 -10.445 4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.385 -9.904 2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.374 -8.518 3.475 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.861 -9.481 2.060 1.00 0.00 H new ATOM 619 N SER A 38 8.033 -12.495 3.437 1.00 0.00 N ATOM 620 CA SER A 38 7.714 -13.688 2.664 1.00 0.00 C ATOM 621 C SER A 38 6.459 -13.337 1.858 1.00 0.00 C ATOM 622 O SER A 38 5.347 -13.311 2.406 1.00 0.00 O ATOM 623 CB SER A 38 7.471 -14.884 3.620 1.00 0.00 C ATOM 624 OG SER A 38 7.319 -16.104 2.915 1.00 0.00 O ATOM 0 H SER A 38 7.264 -12.189 4.033 1.00 0.00 H new ATOM 0 HA SER A 38 8.525 -13.984 1.998 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.307 -14.968 4.315 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.578 -14.696 4.216 1.00 0.00 H new ATOM 0 HG SER A 38 7.169 -16.833 3.552 1.00 0.00 H new ATOM 630 N VAL A 39 6.651 -12.973 0.584 1.00 0.00 N ATOM 631 CA VAL A 39 5.561 -12.528 -0.293 1.00 0.00 C ATOM 632 C VAL A 39 4.859 -13.766 -0.868 1.00 0.00 C ATOM 633 O VAL A 39 5.275 -14.327 -1.888 1.00 0.00 O ATOM 634 CB VAL A 39 6.100 -11.598 -1.446 1.00 0.00 C ATOM 635 CG1 VAL A 39 4.956 -11.076 -2.355 1.00 0.00 C ATOM 636 CG2 VAL A 39 6.946 -10.435 -0.865 1.00 0.00 C ATOM 0 H VAL A 39 7.566 -12.979 0.132 1.00 0.00 H new ATOM 0 HA VAL A 39 4.849 -11.938 0.284 1.00 0.00 H new ATOM 0 HB VAL A 39 6.750 -12.202 -2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.373 -10.439 -3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.441 -11.921 -2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.250 -10.501 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.308 -9.806 -1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.331 -9.839 -0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.795 -10.842 -0.316 1.00 0.00 H new ATOM 646 N ASN A 40 3.824 -14.226 -0.155 1.00 0.00 N ATOM 647 CA ASN A 40 3.020 -15.385 -0.545 1.00 0.00 C ATOM 648 C ASN A 40 1.826 -14.919 -1.393 1.00 0.00 C ATOM 649 O ASN A 40 0.808 -14.468 -0.867 1.00 0.00 O ATOM 650 CB ASN A 40 2.542 -16.149 0.726 1.00 0.00 C ATOM 651 CG ASN A 40 3.703 -16.663 1.593 1.00 0.00 C ATOM 652 OD1 ASN A 40 4.208 -17.769 1.392 1.00 0.00 O ATOM 653 ND2 ASN A 40 4.134 -15.868 2.564 1.00 0.00 N ATOM 0 H ASN A 40 3.520 -13.797 0.719 1.00 0.00 H new ATOM 0 HA ASN A 40 3.623 -16.068 -1.144 1.00 0.00 H new ATOM 0 HB2 ASN A 40 1.914 -15.489 1.325 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.921 -16.992 0.424 1.00 0.00 H new ATOM 0 HD21 ASN A 40 4.901 -16.168 3.166 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.698 -14.957 2.709 1.00 0.00 H new ATOM 660 N MET A 41 1.982 -15.014 -2.718 1.00 0.00 N ATOM 661 CA MET A 41 0.935 -14.647 -3.682 1.00 0.00 C ATOM 662 C MET A 41 -0.066 -15.815 -3.760 1.00 0.00 C ATOM 663 O MET A 41 0.256 -16.878 -4.308 1.00 0.00 O ATOM 664 CB MET A 41 1.597 -14.331 -5.052 1.00 0.00 C ATOM 665 CG MET A 41 0.679 -13.703 -6.108 1.00 0.00 C ATOM 666 SD MET A 41 -0.552 -14.843 -6.756 1.00 0.00 S ATOM 667 CE MET A 41 -1.284 -13.836 -8.037 1.00 0.00 C ATOM 0 H MET A 41 2.841 -15.349 -3.155 1.00 0.00 H new ATOM 0 HA MET A 41 0.392 -13.753 -3.375 1.00 0.00 H new ATOM 0 HB2 MET A 41 2.437 -13.658 -4.882 1.00 0.00 H new ATOM 0 HB3 MET A 41 2.007 -15.256 -5.458 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.172 -12.842 -5.672 1.00 0.00 H new ATOM 0 HG3 MET A 41 1.288 -13.331 -6.932 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.082 -14.394 -8.526 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.694 -12.927 -7.596 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.523 -13.572 -8.771 1.00 0.00 H new ATOM 677 N VAL A 42 -1.259 -15.621 -3.156 1.00 0.00 N ATOM 678 CA VAL A 42 -2.220 -16.714 -2.913 1.00 0.00 C ATOM 679 C VAL A 42 -2.940 -17.139 -4.212 1.00 0.00 C ATOM 680 O VAL A 42 -3.310 -16.301 -5.049 1.00 0.00 O ATOM 681 CB VAL A 42 -3.268 -16.361 -1.772 1.00 0.00 C ATOM 682 CG1 VAL A 42 -2.570 -15.733 -0.537 1.00 0.00 C ATOM 683 CG2 VAL A 42 -4.448 -15.493 -2.276 1.00 0.00 C ATOM 0 H VAL A 42 -1.579 -14.710 -2.827 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.635 -17.562 -2.558 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.710 -17.306 -1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.315 -15.504 0.225 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.843 -16.437 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.061 -14.816 -0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.127 -15.287 -1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.065 -14.553 -2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.983 -16.027 -3.061 1.00 0.00 H new ATOM 693 N SER A 43 -3.088 -18.459 -4.369 1.00 0.00 N ATOM 694 CA SER A 43 -3.807 -19.084 -5.476 1.00 0.00 C ATOM 695 C SER A 43 -5.242 -19.429 -5.036 1.00 0.00 C ATOM 696 O SER A 43 -5.679 -19.056 -3.927 1.00 0.00 O ATOM 697 CB SER A 43 -3.034 -20.341 -5.950 1.00 0.00 C ATOM 698 OG SER A 43 -1.709 -20.006 -6.314 1.00 0.00 O ATOM 0 H SER A 43 -2.700 -19.136 -3.712 1.00 0.00 H new ATOM 0 HA SER A 43 -3.874 -18.393 -6.316 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.020 -21.087 -5.155 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.547 -20.790 -6.800 1.00 0.00 H new ATOM 0 HG SER A 43 -1.237 -20.813 -6.609 1.00 0.00 H new ATOM 704 N SER A 44 -5.964 -20.122 -5.927 1.00 0.00 N ATOM 705 CA SER A 44 -7.362 -20.539 -5.715 1.00 0.00 C ATOM 706 C SER A 44 -7.557 -21.324 -4.407 1.00 0.00 C ATOM 707 O SER A 44 -8.492 -21.046 -3.664 1.00 0.00 O ATOM 708 CB SER A 44 -7.844 -21.360 -6.935 1.00 0.00 C ATOM 709 OG SER A 44 -6.908 -22.358 -7.291 1.00 0.00 O ATOM 0 H SER A 44 -5.590 -20.414 -6.830 1.00 0.00 H new ATOM 0 HA SER A 44 -7.968 -19.638 -5.618 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.803 -21.824 -6.706 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.007 -20.694 -7.782 1.00 0.00 H new ATOM 0 HG SER A 44 -7.243 -22.860 -8.063 1.00 0.00 H new ATOM 715 N LYS A 45 -6.633 -22.263 -4.121 1.00 0.00 N ATOM 716 CA LYS A 45 -6.716 -23.145 -2.930 1.00 0.00 C ATOM 717 C LYS A 45 -6.786 -22.322 -1.619 1.00 0.00 C ATOM 718 O LYS A 45 -7.635 -22.592 -0.764 1.00 0.00 O ATOM 719 CB LYS A 45 -5.523 -24.150 -2.905 1.00 0.00 C ATOM 720 CG LYS A 45 -5.536 -25.158 -1.727 1.00 0.00 C ATOM 721 CD LYS A 45 -6.799 -26.055 -1.710 1.00 0.00 C ATOM 722 CE LYS A 45 -6.861 -26.985 -0.485 1.00 0.00 C ATOM 723 NZ LYS A 45 -6.982 -26.214 0.783 1.00 0.00 N ATOM 0 H LYS A 45 -5.812 -22.434 -4.702 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.640 -23.718 -3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.519 -24.709 -3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.592 -23.584 -2.868 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.650 -25.790 -1.787 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.474 -24.610 -0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.687 -25.423 -1.724 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.822 -26.658 -2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.711 -27.661 -0.583 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.964 -27.603 -0.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.479 -26.789 1.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.033 -25.973 1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.519 -25.341 0.608 1.00 0.00 H new ATOM 737 N GLU A 46 -5.908 -21.305 -1.491 1.00 0.00 N ATOM 738 CA GLU A 46 -5.896 -20.386 -0.326 1.00 0.00 C ATOM 739 C GLU A 46 -7.217 -19.593 -0.205 1.00 0.00 C ATOM 740 O GLU A 46 -7.752 -19.436 0.894 1.00 0.00 O ATOM 741 CB GLU A 46 -4.720 -19.384 -0.422 1.00 0.00 C ATOM 742 CG GLU A 46 -3.315 -19.997 -0.312 1.00 0.00 C ATOM 743 CD GLU A 46 -3.063 -20.678 1.043 1.00 0.00 C ATOM 744 OE1 GLU A 46 -2.967 -19.963 2.070 1.00 0.00 O ATOM 745 OE2 GLU A 46 -2.954 -21.922 1.094 1.00 0.00 O ATOM 0 H GLU A 46 -5.191 -21.096 -2.185 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.777 -21.010 0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.793 -18.856 -1.373 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.835 -18.640 0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.179 -20.727 -1.110 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.570 -19.216 -0.464 1.00 0.00 H new ATOM 752 N ALA A 47 -7.715 -19.097 -1.350 1.00 0.00 N ATOM 753 CA ALA A 47 -8.942 -18.271 -1.420 1.00 0.00 C ATOM 754 C ALA A 47 -10.193 -19.077 -0.998 1.00 0.00 C ATOM 755 O ALA A 47 -11.086 -18.555 -0.326 1.00 0.00 O ATOM 756 CB ALA A 47 -9.117 -17.709 -2.839 1.00 0.00 C ATOM 0 H ALA A 47 -7.280 -19.256 -2.259 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.833 -17.443 -0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.022 -17.103 -2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.255 -17.093 -3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.198 -18.532 -3.549 1.00 0.00 H new ATOM 762 N ILE A 48 -10.224 -20.354 -1.403 1.00 0.00 N ATOM 763 CA ILE A 48 -11.333 -21.284 -1.097 1.00 0.00 C ATOM 764 C ILE A 48 -11.249 -21.764 0.376 1.00 0.00 C ATOM 765 O ILE A 48 -12.279 -22.009 1.015 1.00 0.00 O ATOM 766 CB ILE A 48 -11.329 -22.494 -2.113 1.00 0.00 C ATOM 767 CG1 ILE A 48 -11.446 -21.975 -3.588 1.00 0.00 C ATOM 768 CG2 ILE A 48 -12.457 -23.513 -1.808 1.00 0.00 C ATOM 769 CD1 ILE A 48 -11.216 -23.035 -4.664 1.00 0.00 C ATOM 0 H ILE A 48 -9.479 -20.778 -1.955 1.00 0.00 H new ATOM 0 HA ILE A 48 -12.281 -20.759 -1.214 1.00 0.00 H new ATOM 0 HB ILE A 48 -10.378 -23.013 -1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -12.438 -21.545 -3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -10.726 -21.170 -3.732 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -12.417 -24.328 -2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -12.324 -23.913 -0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -13.425 -23.016 -1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -11.318 -22.581 -5.650 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.214 -23.450 -4.557 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -11.952 -23.831 -4.554 1.00 0.00 H new ATOM 781 N SER A 49 -10.011 -21.857 0.912 1.00 0.00 N ATOM 782 CA SER A 49 -9.759 -22.145 2.347 1.00 0.00 C ATOM 783 C SER A 49 -10.146 -20.933 3.221 1.00 0.00 C ATOM 784 O SER A 49 -10.455 -21.079 4.408 1.00 0.00 O ATOM 785 CB SER A 49 -8.270 -22.503 2.568 1.00 0.00 C ATOM 786 OG SER A 49 -7.909 -23.667 1.842 1.00 0.00 O ATOM 0 H SER A 49 -9.159 -21.735 0.365 1.00 0.00 H new ATOM 0 HA SER A 49 -10.375 -22.995 2.639 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.642 -21.668 2.257 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.085 -22.662 3.630 1.00 0.00 H new ATOM 0 HG SER A 49 -7.781 -23.437 0.898 1.00 0.00 H new ATOM 792 N SER A 50 -10.100 -19.739 2.608 1.00 0.00 N ATOM 793 CA SER A 50 -10.509 -18.474 3.234 1.00 0.00 C ATOM 794 C SER A 50 -12.004 -18.174 2.932 1.00 0.00 C ATOM 795 O SER A 50 -12.594 -17.246 3.508 1.00 0.00 O ATOM 796 CB SER A 50 -9.603 -17.337 2.701 1.00 0.00 C ATOM 797 OG SER A 50 -9.851 -16.104 3.352 1.00 0.00 O ATOM 0 H SER A 50 -9.772 -19.625 1.649 1.00 0.00 H new ATOM 0 HA SER A 50 -10.399 -18.549 4.316 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.558 -17.614 2.838 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.764 -17.219 1.629 1.00 0.00 H new ATOM 0 HG SER A 50 -9.170 -15.955 4.041 1.00 0.00 H new ATOM 803 N GLY A 51 -12.594 -18.958 2.001 1.00 0.00 N ATOM 804 CA GLY A 51 -13.997 -18.821 1.607 1.00 0.00 C ATOM 805 C GLY A 51 -14.187 -17.693 0.602 1.00 0.00 C ATOM 806 O GLY A 51 -14.249 -17.928 -0.610 1.00 0.00 O ATOM 0 H GLY A 51 -12.102 -19.702 1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.348 -19.758 1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -14.607 -18.630 2.490 1.00 0.00 H new ATOM 810 N ALA A 52 -14.232 -16.457 1.123 1.00 0.00 N ATOM 811 CA ALA A 52 -14.420 -15.231 0.323 1.00 0.00 C ATOM 812 C ALA A 52 -13.767 -14.017 1.020 1.00 0.00 C ATOM 813 O ALA A 52 -14.011 -12.869 0.627 1.00 0.00 O ATOM 814 CB ALA A 52 -15.924 -14.990 0.077 1.00 0.00 C ATOM 0 H ALA A 52 -14.138 -16.276 2.122 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.929 -15.360 -0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.055 -14.084 -0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.345 -15.839 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.436 -14.877 1.033 1.00 0.00 H new ATOM 820 N GLU A 53 -12.940 -14.272 2.061 1.00 0.00 N ATOM 821 CA GLU A 53 -12.201 -13.211 2.767 1.00 0.00 C ATOM 822 C GLU A 53 -11.022 -12.772 1.879 1.00 0.00 C ATOM 823 O GLU A 53 -10.904 -11.594 1.530 1.00 0.00 O ATOM 824 CB GLU A 53 -11.743 -13.685 4.176 1.00 0.00 C ATOM 825 CG GLU A 53 -11.061 -12.594 5.021 1.00 0.00 C ATOM 826 CD GLU A 53 -10.727 -13.060 6.448 1.00 0.00 C ATOM 827 OE1 GLU A 53 -11.623 -13.015 7.323 1.00 0.00 O ATOM 828 OE2 GLU A 53 -9.576 -13.486 6.698 1.00 0.00 O ATOM 0 H GLU A 53 -12.771 -15.209 2.428 1.00 0.00 H new ATOM 0 HA GLU A 53 -12.849 -12.352 2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -12.610 -14.060 4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.054 -14.521 4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.144 -12.278 4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.713 -11.722 5.073 1.00 0.00 H new ATOM 835 N LEU A 54 -10.181 -13.744 1.479 1.00 0.00 N ATOM 836 CA LEU A 54 -9.160 -13.543 0.430 1.00 0.00 C ATOM 837 C LEU A 54 -9.780 -13.811 -0.955 1.00 0.00 C ATOM 838 O LEU A 54 -10.887 -14.358 -1.065 1.00 0.00 O ATOM 839 CB LEU A 54 -7.920 -14.466 0.652 1.00 0.00 C ATOM 840 CG LEU A 54 -7.156 -14.303 2.007 1.00 0.00 C ATOM 841 CD1 LEU A 54 -5.933 -15.247 2.073 1.00 0.00 C ATOM 842 CD2 LEU A 54 -6.756 -12.831 2.270 1.00 0.00 C ATOM 0 H LEU A 54 -10.188 -14.686 1.870 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.817 -12.510 0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.248 -15.502 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.214 -14.289 -0.160 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.840 -14.591 2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.421 -15.113 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.266 -16.281 1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.249 -15.014 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.228 -12.762 3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.106 -12.482 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.652 -12.211 2.307 1.00 0.00 H new ATOM 854 N ALA A 55 -9.055 -13.405 -1.997 1.00 0.00 N ATOM 855 CA ALA A 55 -9.444 -13.609 -3.404 1.00 0.00 C ATOM 856 C ALA A 55 -8.272 -14.240 -4.165 1.00 0.00 C ATOM 857 O ALA A 55 -7.126 -14.188 -3.698 1.00 0.00 O ATOM 858 CB ALA A 55 -9.868 -12.276 -4.041 1.00 0.00 C ATOM 0 H ALA A 55 -8.166 -12.917 -1.892 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.299 -14.284 -3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.152 -12.443 -5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.717 -11.865 -3.494 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.036 -11.573 -4.001 1.00 0.00 H new ATOM 864 N ILE A 56 -8.567 -14.851 -5.321 1.00 0.00 N ATOM 865 CA ILE A 56 -7.548 -15.511 -6.153 1.00 0.00 C ATOM 866 C ILE A 56 -6.638 -14.440 -6.778 1.00 0.00 C ATOM 867 O ILE A 56 -7.051 -13.724 -7.699 1.00 0.00 O ATOM 868 CB ILE A 56 -8.202 -16.406 -7.279 1.00 0.00 C ATOM 869 CG1 ILE A 56 -9.238 -17.400 -6.653 1.00 0.00 C ATOM 870 CG2 ILE A 56 -7.119 -17.164 -8.101 1.00 0.00 C ATOM 871 CD1 ILE A 56 -9.969 -18.287 -7.651 1.00 0.00 C ATOM 0 H ILE A 56 -9.511 -14.902 -5.704 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.959 -16.173 -5.519 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.732 -15.750 -7.970 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -8.719 -18.037 -5.937 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.976 -16.826 -6.093 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.602 -17.770 -8.867 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.452 -16.444 -8.575 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.544 -17.809 -7.437 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.663 -18.938 -7.119 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -10.522 -17.664 -8.354 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.246 -18.895 -8.195 1.00 0.00 H new ATOM 883 N GLY A 57 -5.419 -14.313 -6.241 1.00 0.00 N ATOM 884 CA GLY A 57 -4.470 -13.285 -6.671 1.00 0.00 C ATOM 885 C GLY A 57 -4.127 -12.282 -5.574 1.00 0.00 C ATOM 886 O GLY A 57 -3.383 -11.319 -5.818 1.00 0.00 O ATOM 0 H GLY A 57 -5.066 -14.918 -5.500 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.554 -13.767 -7.012 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.886 -12.751 -7.525 1.00 0.00 H new ATOM 890 N THR A 58 -4.665 -12.507 -4.360 1.00 0.00 N ATOM 891 CA THR A 58 -4.352 -11.679 -3.186 1.00 0.00 C ATOM 892 C THR A 58 -2.889 -11.894 -2.750 1.00 0.00 C ATOM 893 O THR A 58 -2.483 -13.006 -2.419 1.00 0.00 O ATOM 894 CB THR A 58 -5.341 -11.977 -2.007 1.00 0.00 C ATOM 895 OG1 THR A 58 -6.659 -11.529 -2.358 1.00 0.00 O ATOM 896 CG2 THR A 58 -4.900 -11.331 -0.678 1.00 0.00 C ATOM 0 H THR A 58 -5.323 -13.262 -4.169 1.00 0.00 H new ATOM 0 HA THR A 58 -4.475 -10.632 -3.463 1.00 0.00 H new ATOM 0 HB THR A 58 -5.340 -13.056 -1.849 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.142 -11.265 -1.547 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.623 -11.572 0.101 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.920 -11.715 -0.395 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.845 -10.249 -0.800 1.00 0.00 H new ATOM 904 N VAL A 59 -2.108 -10.818 -2.774 1.00 0.00 N ATOM 905 CA VAL A 59 -0.700 -10.842 -2.399 1.00 0.00 C ATOM 906 C VAL A 59 -0.576 -10.706 -0.867 1.00 0.00 C ATOM 907 O VAL A 59 -0.672 -9.609 -0.311 1.00 0.00 O ATOM 908 CB VAL A 59 0.097 -9.719 -3.142 1.00 0.00 C ATOM 909 CG1 VAL A 59 1.613 -9.840 -2.853 1.00 0.00 C ATOM 910 CG2 VAL A 59 -0.210 -9.757 -4.666 1.00 0.00 C ATOM 0 H VAL A 59 -2.439 -9.896 -3.057 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.264 -11.794 -2.701 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.225 -8.748 -2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.148 -9.050 -3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.788 -9.745 -1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.972 -10.811 -3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.351 -8.970 -5.170 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.080 -10.726 -5.071 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.277 -9.601 -4.826 1.00 0.00 H new ATOM 920 N ARG A 60 -0.424 -11.851 -0.204 1.00 0.00 N ATOM 921 CA ARG A 60 -0.282 -11.949 1.256 1.00 0.00 C ATOM 922 C ARG A 60 1.218 -11.814 1.603 1.00 0.00 C ATOM 923 O ARG A 60 2.036 -12.559 1.085 1.00 0.00 O ATOM 924 CB ARG A 60 -0.865 -13.318 1.689 1.00 0.00 C ATOM 925 CG ARG A 60 -1.000 -13.577 3.202 1.00 0.00 C ATOM 926 CD ARG A 60 -1.579 -14.983 3.467 1.00 0.00 C ATOM 927 NE ARG A 60 -1.770 -15.278 4.895 1.00 0.00 N ATOM 928 CZ ARG A 60 -1.879 -16.507 5.417 1.00 0.00 C ATOM 929 NH1 ARG A 60 -1.717 -17.587 4.660 1.00 0.00 N ATOM 930 NH2 ARG A 60 -2.123 -16.642 6.716 1.00 0.00 N ATOM 0 H ARG A 60 -0.395 -12.757 -0.672 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.819 -11.161 1.784 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.852 -13.423 1.239 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.237 -14.102 1.266 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.025 -13.484 3.680 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.647 -12.822 3.649 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.536 -15.076 2.954 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.912 -15.729 3.036 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.824 -14.487 5.537 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.507 -17.487 3.667 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.803 -18.516 5.072 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.225 -15.815 7.304 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.208 -17.573 7.125 1.00 0.00 H new ATOM 944 N ILE A 61 1.570 -10.868 2.483 1.00 0.00 N ATOM 945 CA ILE A 61 2.969 -10.416 2.680 1.00 0.00 C ATOM 946 C ILE A 61 3.315 -10.468 4.175 1.00 0.00 C ATOM 947 O ILE A 61 2.794 -9.692 4.971 1.00 0.00 O ATOM 948 CB ILE A 61 3.185 -8.964 2.095 1.00 0.00 C ATOM 949 CG1 ILE A 61 2.884 -8.953 0.559 1.00 0.00 C ATOM 950 CG2 ILE A 61 4.617 -8.429 2.391 1.00 0.00 C ATOM 951 CD1 ILE A 61 2.803 -7.582 -0.076 1.00 0.00 C ATOM 0 H ILE A 61 0.898 -10.389 3.083 1.00 0.00 H new ATOM 0 HA ILE A 61 3.638 -11.084 2.138 1.00 0.00 H new ATOM 0 HB ILE A 61 2.486 -8.292 2.593 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.659 -9.526 0.050 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.940 -9.471 0.387 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.725 -7.428 1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.776 -8.391 3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.354 -9.093 1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.591 -7.686 -1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.007 -7.008 0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.753 -7.063 0.056 1.00 0.00 H new ATOM 963 N TRP A 62 4.180 -11.417 4.539 1.00 0.00 N ATOM 964 CA TRP A 62 4.562 -11.677 5.936 1.00 0.00 C ATOM 965 C TRP A 62 5.881 -10.965 6.252 1.00 0.00 C ATOM 966 O TRP A 62 6.915 -11.356 5.750 1.00 0.00 O ATOM 967 CB TRP A 62 4.723 -13.208 6.151 1.00 0.00 C ATOM 968 CG TRP A 62 3.453 -14.019 6.046 1.00 0.00 C ATOM 969 CD1 TRP A 62 2.343 -13.774 5.282 1.00 0.00 C ATOM 970 CD2 TRP A 62 3.195 -15.238 6.730 1.00 0.00 C ATOM 971 NE1 TRP A 62 1.407 -14.750 5.489 1.00 0.00 N ATOM 972 CE2 TRP A 62 1.909 -15.666 6.365 1.00 0.00 C ATOM 973 CE3 TRP A 62 3.932 -15.998 7.628 1.00 0.00 C ATOM 974 CZ2 TRP A 62 1.346 -16.830 6.867 1.00 0.00 C ATOM 975 CZ3 TRP A 62 3.380 -17.149 8.120 1.00 0.00 C ATOM 976 CH2 TRP A 62 2.096 -17.559 7.744 1.00 0.00 C ATOM 0 H TRP A 62 4.641 -12.034 3.870 1.00 0.00 H new ATOM 0 HA TRP A 62 3.786 -11.299 6.602 1.00 0.00 H new ATOM 0 HB2 TRP A 62 5.436 -13.587 5.419 1.00 0.00 H new ATOM 0 HB3 TRP A 62 5.159 -13.375 7.136 1.00 0.00 H new ATOM 0 HD1 TRP A 62 2.224 -12.934 4.614 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.483 -14.786 5.058 1.00 0.00 H new ATOM 0 HE3 TRP A 62 4.921 -15.687 7.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 0.355 -17.146 6.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.947 -17.753 8.813 1.00 0.00 H new ATOM 0 HH2 TRP A 62 1.690 -18.471 8.156 1.00 0.00 H new ATOM 987 N ILE A 63 5.838 -9.970 7.132 1.00 0.00 N ATOM 988 CA ILE A 63 7.021 -9.171 7.522 1.00 0.00 C ATOM 989 C ILE A 63 7.228 -9.317 9.030 1.00 0.00 C ATOM 990 O ILE A 63 6.337 -9.811 9.711 1.00 0.00 O ATOM 991 CB ILE A 63 6.847 -7.652 7.151 1.00 0.00 C ATOM 992 CG1 ILE A 63 5.601 -7.034 7.857 1.00 0.00 C ATOM 993 CG2 ILE A 63 6.764 -7.459 5.621 1.00 0.00 C ATOM 994 CD1 ILE A 63 5.437 -5.543 7.642 1.00 0.00 C ATOM 0 H ILE A 63 4.981 -9.684 7.605 1.00 0.00 H new ATOM 0 HA ILE A 63 7.889 -9.541 6.976 1.00 0.00 H new ATOM 0 HB ILE A 63 7.730 -7.123 7.511 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.706 -7.542 7.498 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.670 -7.229 8.927 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.644 -6.400 5.394 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.679 -7.828 5.158 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.910 -8.013 5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.547 -5.195 8.167 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.313 -5.021 8.028 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.333 -5.338 6.576 1.00 0.00 H new ATOM 1006 N ARG A 64 8.416 -8.966 9.546 1.00 0.00 N ATOM 1007 CA ARG A 64 8.622 -8.837 11.006 1.00 0.00 C ATOM 1008 C ARG A 64 7.670 -7.794 11.637 1.00 0.00 C ATOM 1009 O ARG A 64 7.272 -6.821 10.985 1.00 0.00 O ATOM 1010 CB ARG A 64 10.112 -8.545 11.355 1.00 0.00 C ATOM 1011 CG ARG A 64 11.018 -9.802 11.370 1.00 0.00 C ATOM 1012 CD ARG A 64 10.487 -10.888 12.334 1.00 0.00 C ATOM 1013 NE ARG A 64 11.397 -12.033 12.461 1.00 0.00 N ATOM 1014 CZ ARG A 64 11.191 -13.103 13.247 1.00 0.00 C ATOM 1015 NH1 ARG A 64 10.076 -13.226 13.966 1.00 0.00 N ATOM 1016 NH2 ARG A 64 12.120 -14.041 13.330 1.00 0.00 N ATOM 0 H ARG A 64 9.244 -8.767 8.985 1.00 0.00 H new ATOM 0 HA ARG A 64 8.371 -9.801 11.447 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.510 -7.832 10.633 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.157 -8.066 12.333 1.00 0.00 H new ATOM 0 HG2 ARG A 64 11.085 -10.213 10.363 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.028 -9.517 11.666 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.327 -10.447 13.318 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.517 -11.238 11.980 1.00 0.00 H new ATOM 0 HE ARG A 64 12.254 -12.015 11.908 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.360 -12.500 13.926 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.938 -14.046 14.557 1.00 0.00 H new ATOM 0 HH21 ARG A 64 12.986 -13.949 12.799 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.970 -14.856 13.925 1.00 0.00 H new ATOM 1030 N TYR A 65 7.326 -8.043 12.916 1.00 0.00 N ATOM 1031 CA TYR A 65 6.283 -7.313 13.653 1.00 0.00 C ATOM 1032 C TYR A 65 6.642 -5.832 13.807 1.00 0.00 C ATOM 1033 O TYR A 65 7.713 -5.498 14.321 1.00 0.00 O ATOM 1034 CB TYR A 65 6.084 -7.969 15.042 1.00 0.00 C ATOM 1035 CG TYR A 65 4.909 -7.407 15.858 1.00 0.00 C ATOM 1036 CD1 TYR A 65 3.631 -7.963 15.756 1.00 0.00 C ATOM 1037 CD2 TYR A 65 5.078 -6.339 16.749 1.00 0.00 C ATOM 1038 CE1 TYR A 65 2.572 -7.467 16.486 1.00 0.00 C ATOM 1039 CE2 TYR A 65 4.026 -5.846 17.477 1.00 0.00 C ATOM 1040 CZ TYR A 65 2.778 -6.416 17.354 1.00 0.00 C ATOM 1041 OH TYR A 65 1.732 -5.913 18.086 1.00 0.00 O ATOM 0 H TYR A 65 7.775 -8.770 13.473 1.00 0.00 H new ATOM 0 HA TYR A 65 5.353 -7.367 13.087 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.933 -9.040 14.904 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.000 -7.848 15.620 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.470 -8.799 15.091 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.056 -5.896 16.865 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.588 -7.899 16.379 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.176 -5.012 18.146 1.00 0.00 H new ATOM 0 HH TYR A 65 2.070 -5.541 18.927 1.00 0.00 H new ATOM 1051 N ARG A 66 5.734 -4.959 13.360 1.00 0.00 N ATOM 1052 CA ARG A 66 5.909 -3.501 13.427 1.00 0.00 C ATOM 1053 C ARG A 66 4.538 -2.816 13.475 1.00 0.00 C ATOM 1054 O ARG A 66 3.645 -3.138 12.687 1.00 0.00 O ATOM 1055 CB ARG A 66 6.772 -2.993 12.231 1.00 0.00 C ATOM 1056 CG ARG A 66 6.402 -3.582 10.859 1.00 0.00 C ATOM 1057 CD ARG A 66 7.446 -3.234 9.787 1.00 0.00 C ATOM 1058 NE ARG A 66 7.566 -1.779 9.582 1.00 0.00 N ATOM 1059 CZ ARG A 66 8.705 -1.121 9.333 1.00 0.00 C ATOM 1060 NH1 ARG A 66 9.877 -1.745 9.368 1.00 0.00 N ATOM 1061 NH2 ARG A 66 8.662 0.167 9.079 1.00 0.00 N ATOM 0 H ARG A 66 4.850 -5.244 12.938 1.00 0.00 H new ATOM 0 HA ARG A 66 6.447 -3.245 14.340 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.687 -1.908 12.177 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.818 -3.221 12.436 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.313 -4.665 10.941 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.427 -3.204 10.552 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.415 -3.640 10.080 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.172 -3.711 8.846 1.00 0.00 H new ATOM 0 HE ARG A 66 6.710 -1.227 9.634 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.918 -2.740 9.587 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.736 -1.229 9.176 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.767 0.656 9.073 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.524 0.678 8.888 1.00 0.00 H new ATOM 1075 N LYS A 67 4.394 -1.850 14.401 1.00 0.00 N ATOM 1076 CA LYS A 67 3.140 -1.079 14.604 1.00 0.00 C ATOM 1077 C LYS A 67 3.048 0.108 13.609 1.00 0.00 C ATOM 1078 O LYS A 67 2.151 0.952 13.711 1.00 0.00 O ATOM 1079 CB LYS A 67 3.078 -0.542 16.065 1.00 0.00 C ATOM 1080 CG LYS A 67 3.361 -1.590 17.165 1.00 0.00 C ATOM 1081 CD LYS A 67 2.395 -2.794 17.139 1.00 0.00 C ATOM 1082 CE LYS A 67 0.937 -2.425 17.441 1.00 0.00 C ATOM 1083 NZ LYS A 67 0.063 -3.628 17.442 1.00 0.00 N ATOM 0 H LYS A 67 5.144 -1.576 15.036 1.00 0.00 H new ATOM 0 HA LYS A 67 2.298 -1.747 14.423 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.797 0.271 16.167 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.089 -0.117 16.237 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.383 -1.953 17.054 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.298 -1.106 18.140 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.445 -3.267 16.158 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.731 -3.533 17.866 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.878 -1.930 18.410 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.578 -1.713 16.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.700 -3.502 18.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.349 -3.758 16.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.626 -4.466 17.693 1.00 0.00 H new ATOM 1097 N ASP A 68 3.959 0.121 12.623 1.00 0.00 N ATOM 1098 CA ASP A 68 4.221 1.272 11.742 1.00 0.00 C ATOM 1099 C ASP A 68 3.358 1.219 10.473 1.00 0.00 C ATOM 1100 O ASP A 68 3.039 2.263 9.894 1.00 0.00 O ATOM 1101 CB ASP A 68 5.734 1.262 11.365 1.00 0.00 C ATOM 1102 CG ASP A 68 6.133 2.316 10.309 1.00 0.00 C ATOM 1103 OD1 ASP A 68 6.202 3.520 10.646 1.00 0.00 O ATOM 1104 OD2 ASP A 68 6.380 1.939 9.140 1.00 0.00 O ATOM 0 H ASP A 68 4.547 -0.685 12.411 1.00 0.00 H new ATOM 0 HA ASP A 68 3.963 2.191 12.268 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.322 1.428 12.267 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.997 0.272 10.991 1.00 0.00 H new ATOM 1109 N ILE A 69 2.972 0.007 10.055 1.00 0.00 N ATOM 1110 CA ILE A 69 2.265 -0.194 8.778 1.00 0.00 C ATOM 1111 C ILE A 69 0.807 0.270 8.898 1.00 0.00 C ATOM 1112 O ILE A 69 0.140 0.017 9.910 1.00 0.00 O ATOM 1113 CB ILE A 69 2.310 -1.686 8.276 1.00 0.00 C ATOM 1114 CG1 ILE A 69 3.751 -2.273 8.411 1.00 0.00 C ATOM 1115 CG2 ILE A 69 1.790 -1.795 6.810 1.00 0.00 C ATOM 1116 CD1 ILE A 69 4.847 -1.493 7.698 1.00 0.00 C ATOM 0 H ILE A 69 3.136 -0.851 10.581 1.00 0.00 H new ATOM 0 HA ILE A 69 2.788 0.409 8.036 1.00 0.00 H new ATOM 0 HB ILE A 69 1.648 -2.278 8.908 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.002 -2.333 9.470 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.746 -3.293 8.026 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.831 -2.835 6.486 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.761 -1.440 6.762 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.415 -1.186 6.156 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.806 -1.986 7.856 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.630 -1.454 6.630 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.890 -0.479 8.096 1.00 0.00 H new ATOM 1128 N ASN A 70 0.338 0.956 7.852 1.00 0.00 N ATOM 1129 CA ASN A 70 -1.031 1.478 7.759 1.00 0.00 C ATOM 1130 C ASN A 70 -1.566 1.221 6.340 1.00 0.00 C ATOM 1131 O ASN A 70 -0.789 0.923 5.427 1.00 0.00 O ATOM 1132 CB ASN A 70 -1.037 3.002 8.082 1.00 0.00 C ATOM 1133 CG ASN A 70 -2.435 3.574 8.336 1.00 0.00 C ATOM 1134 OD1 ASN A 70 -3.119 3.998 7.409 1.00 0.00 O ATOM 1135 ND2 ASN A 70 -2.872 3.592 9.591 1.00 0.00 N ATOM 0 H ASN A 70 0.907 1.168 7.032 1.00 0.00 H new ATOM 0 HA ASN A 70 -1.674 0.974 8.480 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.416 3.180 8.960 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.579 3.542 7.253 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.797 3.965 9.804 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.282 3.233 10.342 1.00 0.00 H new ATOM 1142 N ALA A 71 -2.891 1.343 6.172 1.00 0.00 N ATOM 1143 CA ALA A 71 -3.567 1.213 4.868 1.00 0.00 C ATOM 1144 C ALA A 71 -3.100 2.293 3.866 1.00 0.00 C ATOM 1145 O ALA A 71 -3.186 2.108 2.647 1.00 0.00 O ATOM 1146 CB ALA A 71 -5.085 1.285 5.067 1.00 0.00 C ATOM 0 H ALA A 71 -3.531 1.536 6.942 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.300 0.245 4.443 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.583 1.189 4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.405 0.475 5.723 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.348 2.242 5.517 1.00 0.00 H new ATOM 1152 N THR A 72 -2.575 3.411 4.408 1.00 0.00 N ATOM 1153 CA THR A 72 -1.991 4.507 3.616 1.00 0.00 C ATOM 1154 C THR A 72 -0.487 4.254 3.308 1.00 0.00 C ATOM 1155 O THR A 72 0.301 5.193 3.134 1.00 0.00 O ATOM 1156 CB THR A 72 -2.179 5.878 4.353 1.00 0.00 C ATOM 1157 OG1 THR A 72 -1.614 5.804 5.667 1.00 0.00 O ATOM 1158 CG2 THR A 72 -3.658 6.295 4.460 1.00 0.00 C ATOM 0 H THR A 72 -2.545 3.577 5.414 1.00 0.00 H new ATOM 0 HA THR A 72 -2.520 4.545 2.664 1.00 0.00 H new ATOM 0 HB THR A 72 -1.666 6.633 3.758 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.198 5.269 6.245 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.730 7.251 4.979 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.082 6.392 3.461 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.210 5.538 5.017 1.00 0.00 H new ATOM 1166 N SER A 73 -0.108 2.972 3.230 1.00 0.00 N ATOM 1167 CA SER A 73 1.199 2.531 2.733 1.00 0.00 C ATOM 1168 C SER A 73 0.971 1.494 1.621 1.00 0.00 C ATOM 1169 O SER A 73 0.100 0.648 1.748 1.00 0.00 O ATOM 1170 CB SER A 73 2.043 1.928 3.884 1.00 0.00 C ATOM 1171 OG SER A 73 3.322 1.495 3.436 1.00 0.00 O ATOM 0 H SER A 73 -0.711 2.201 3.515 1.00 0.00 H new ATOM 0 HA SER A 73 1.751 3.382 2.333 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.167 2.672 4.671 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.508 1.086 4.323 1.00 0.00 H new ATOM 0 HG SER A 73 3.608 2.048 2.680 1.00 0.00 H new ATOM 1177 N ARG A 74 1.695 1.618 0.498 1.00 0.00 N ATOM 1178 CA ARG A 74 1.750 0.572 -0.540 1.00 0.00 C ATOM 1179 C ARG A 74 3.048 -0.221 -0.370 1.00 0.00 C ATOM 1180 O ARG A 74 4.058 0.321 0.088 1.00 0.00 O ATOM 1181 CB ARG A 74 1.662 1.169 -1.970 1.00 0.00 C ATOM 1182 CG ARG A 74 0.367 1.947 -2.248 1.00 0.00 C ATOM 1183 CD ARG A 74 0.360 2.606 -3.636 1.00 0.00 C ATOM 1184 NE ARG A 74 0.424 1.625 -4.734 1.00 0.00 N ATOM 1185 CZ ARG A 74 0.200 1.908 -6.026 1.00 0.00 C ATOM 1186 NH1 ARG A 74 -0.108 3.140 -6.406 1.00 0.00 N ATOM 1187 NH2 ARG A 74 0.276 0.947 -6.936 1.00 0.00 N ATOM 0 H ARG A 74 2.257 2.441 0.283 1.00 0.00 H new ATOM 0 HA ARG A 74 0.889 -0.085 -0.419 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.512 1.832 -2.128 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.750 0.360 -2.695 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.484 1.270 -2.167 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.238 2.714 -1.485 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.543 3.207 -3.744 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.207 3.288 -3.714 1.00 0.00 H new ATOM 0 HE ARG A 74 0.655 0.661 -4.494 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.177 3.885 -5.713 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.276 3.343 -7.391 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.505 -0.006 -6.653 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.106 1.161 -7.919 1.00 0.00 H new ATOM 1201 N ILE A 75 3.004 -1.504 -0.722 1.00 0.00 N ATOM 1202 CA ILE A 75 4.131 -2.428 -0.569 1.00 0.00 C ATOM 1203 C ILE A 75 4.687 -2.789 -1.960 1.00 0.00 C ATOM 1204 O ILE A 75 4.020 -3.498 -2.717 1.00 0.00 O ATOM 1205 CB ILE A 75 3.670 -3.733 0.189 1.00 0.00 C ATOM 1206 CG1 ILE A 75 2.988 -3.397 1.561 1.00 0.00 C ATOM 1207 CG2 ILE A 75 4.853 -4.704 0.378 1.00 0.00 C ATOM 1208 CD1 ILE A 75 3.879 -2.699 2.575 1.00 0.00 C ATOM 0 H ILE A 75 2.175 -1.939 -1.127 1.00 0.00 H new ATOM 0 HA ILE A 75 4.913 -1.947 0.019 1.00 0.00 H new ATOM 0 HB ILE A 75 2.921 -4.226 -0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.119 -2.767 1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.620 -4.324 2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.511 -5.596 0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.251 -4.986 -0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.634 -4.217 0.962 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.314 -2.511 3.488 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.736 -3.332 2.803 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.227 -1.752 2.163 1.00 0.00 H new ATOM 1220 N LYS A 76 5.889 -2.285 -2.306 1.00 0.00 N ATOM 1221 CA LYS A 76 6.543 -2.620 -3.589 1.00 0.00 C ATOM 1222 C LYS A 76 7.614 -3.691 -3.353 1.00 0.00 C ATOM 1223 O LYS A 76 8.621 -3.425 -2.695 1.00 0.00 O ATOM 1224 CB LYS A 76 7.163 -1.368 -4.282 1.00 0.00 C ATOM 1225 CG LYS A 76 7.641 -1.640 -5.730 1.00 0.00 C ATOM 1226 CD LYS A 76 8.043 -0.367 -6.511 1.00 0.00 C ATOM 1227 CE LYS A 76 9.389 0.237 -6.072 1.00 0.00 C ATOM 1228 NZ LYS A 76 10.542 -0.601 -6.482 1.00 0.00 N ATOM 0 H LYS A 76 6.425 -1.647 -1.718 1.00 0.00 H new ATOM 0 HA LYS A 76 5.779 -3.006 -4.264 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.424 -0.566 -4.296 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.007 -1.014 -3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.493 -2.319 -5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.847 -2.151 -6.274 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.093 -0.605 -7.573 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.262 0.384 -6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.495 1.233 -6.502 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.396 0.355 -4.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.428 -0.138 -6.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.474 -1.532 -6.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.534 -0.721 -7.515 1.00 0.00 H new ATOM 1242 N VAL A 77 7.387 -4.900 -3.893 1.00 0.00 N ATOM 1243 CA VAL A 77 8.299 -6.047 -3.707 1.00 0.00 C ATOM 1244 C VAL A 77 9.628 -5.781 -4.444 1.00 0.00 C ATOM 1245 O VAL A 77 9.684 -5.830 -5.675 1.00 0.00 O ATOM 1246 CB VAL A 77 7.641 -7.391 -4.206 1.00 0.00 C ATOM 1247 CG1 VAL A 77 8.601 -8.602 -4.054 1.00 0.00 C ATOM 1248 CG2 VAL A 77 6.303 -7.648 -3.472 1.00 0.00 C ATOM 0 H VAL A 77 6.572 -5.112 -4.468 1.00 0.00 H new ATOM 0 HA VAL A 77 8.499 -6.159 -2.641 1.00 0.00 H new ATOM 0 HB VAL A 77 7.436 -7.278 -5.271 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.106 -9.506 -4.410 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.503 -8.427 -4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.869 -8.724 -3.005 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.865 -8.580 -3.830 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.484 -7.721 -2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.616 -6.825 -3.669 1.00 0.00 H new ATOM 1258 N SER A 78 10.669 -5.447 -3.664 1.00 0.00 N ATOM 1259 CA SER A 78 12.004 -5.093 -4.190 1.00 0.00 C ATOM 1260 C SER A 78 12.731 -6.321 -4.772 1.00 0.00 C ATOM 1261 O SER A 78 13.576 -6.188 -5.663 1.00 0.00 O ATOM 1262 CB SER A 78 12.851 -4.448 -3.075 1.00 0.00 C ATOM 1263 OG SER A 78 14.123 -4.013 -3.549 1.00 0.00 O ATOM 0 H SER A 78 10.611 -5.414 -2.646 1.00 0.00 H new ATOM 0 HA SER A 78 11.868 -4.378 -5.002 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.311 -3.599 -2.656 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.992 -5.166 -2.267 1.00 0.00 H new ATOM 0 HG SER A 78 14.626 -3.609 -2.811 1.00 0.00 H new ATOM 1269 N THR A 79 12.375 -7.506 -4.261 1.00 0.00 N ATOM 1270 CA THR A 79 12.919 -8.782 -4.731 1.00 0.00 C ATOM 1271 C THR A 79 12.009 -9.917 -4.249 1.00 0.00 C ATOM 1272 O THR A 79 11.554 -9.904 -3.098 1.00 0.00 O ATOM 1273 CB THR A 79 14.407 -9.025 -4.287 1.00 0.00 C ATOM 1274 OG1 THR A 79 14.932 -10.183 -4.950 1.00 0.00 O ATOM 1275 CG2 THR A 79 14.573 -9.202 -2.767 1.00 0.00 C ATOM 0 H THR A 79 11.697 -7.605 -3.505 1.00 0.00 H new ATOM 0 HA THR A 79 12.941 -8.754 -5.820 1.00 0.00 H new ATOM 0 HB THR A 79 14.959 -8.129 -4.570 1.00 0.00 H new ATOM 0 HG1 THR A 79 15.860 -10.328 -4.670 1.00 0.00 H new ATOM 0 HG21 THR A 79 15.625 -9.366 -2.532 1.00 0.00 H new ATOM 0 HG22 THR A 79 14.223 -8.305 -2.256 1.00 0.00 H new ATOM 0 HG23 THR A 79 13.989 -10.061 -2.435 1.00 0.00 H new ATOM 1283 N GLY A 80 11.705 -10.858 -5.157 1.00 0.00 N ATOM 1284 CA GLY A 80 10.860 -12.001 -4.841 1.00 0.00 C ATOM 1285 C GLY A 80 10.047 -12.468 -6.039 1.00 0.00 C ATOM 1286 O GLY A 80 10.450 -12.212 -7.183 1.00 0.00 O ATOM 0 H GLY A 80 12.039 -10.841 -6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.482 -12.822 -4.485 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.185 -11.737 -4.027 1.00 0.00 H new ATOM 1290 N PRO A 81 8.868 -13.135 -5.811 1.00 0.00 N ATOM 1291 CA PRO A 81 8.021 -13.687 -6.900 1.00 0.00 C ATOM 1292 C PRO A 81 7.334 -12.579 -7.727 1.00 0.00 C ATOM 1293 O PRO A 81 6.914 -12.813 -8.866 1.00 0.00 O ATOM 1294 CB PRO A 81 6.984 -14.544 -6.127 1.00 0.00 C ATOM 1295 CG PRO A 81 6.867 -13.865 -4.795 1.00 0.00 C ATOM 1296 CD PRO A 81 8.261 -13.380 -4.469 1.00 0.00 C ATOM 0 HA PRO A 81 8.594 -14.253 -7.634 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.025 -14.573 -6.645 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.320 -15.575 -6.020 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.162 -13.035 -4.838 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.502 -14.554 -4.033 1.00 0.00 H new ATOM 0 HD2 PRO A 81 8.239 -12.472 -3.867 1.00 0.00 H new ATOM 0 HD3 PRO A 81 8.823 -14.124 -3.904 1.00 0.00 H new ATOM 1304 N LEU A 82 7.233 -11.372 -7.136 1.00 0.00 N ATOM 1305 CA LEU A 82 6.556 -10.213 -7.749 1.00 0.00 C ATOM 1306 C LEU A 82 7.488 -8.987 -7.728 1.00 0.00 C ATOM 1307 O LEU A 82 7.033 -7.855 -7.525 1.00 0.00 O ATOM 1308 CB LEU A 82 5.242 -9.922 -6.974 1.00 0.00 C ATOM 1309 CG LEU A 82 4.209 -11.090 -6.895 1.00 0.00 C ATOM 1310 CD1 LEU A 82 3.002 -10.689 -6.033 1.00 0.00 C ATOM 1311 CD2 LEU A 82 3.762 -11.558 -8.303 1.00 0.00 C ATOM 0 H LEU A 82 7.621 -11.173 -6.214 1.00 0.00 H new ATOM 0 HA LEU A 82 6.312 -10.435 -8.788 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.503 -9.628 -5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.754 -9.065 -7.439 1.00 0.00 H new ATOM 0 HG LEU A 82 4.703 -11.937 -6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.294 -11.517 -5.991 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.339 -10.448 -5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.516 -9.817 -6.471 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.043 -12.372 -8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.298 -10.726 -8.833 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.630 -11.906 -8.863 1.00 0.00 H new ATOM 1323 N ALA A 83 8.793 -9.230 -7.967 1.00 0.00 N ATOM 1324 CA ALA A 83 9.837 -8.181 -7.951 1.00 0.00 C ATOM 1325 C ALA A 83 9.593 -7.136 -9.058 1.00 0.00 C ATOM 1326 O ALA A 83 9.909 -7.373 -10.227 1.00 0.00 O ATOM 1327 CB ALA A 83 11.230 -8.814 -8.090 1.00 0.00 C ATOM 0 H ALA A 83 9.155 -10.160 -8.177 1.00 0.00 H new ATOM 0 HA ALA A 83 9.787 -7.663 -6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.988 -8.031 -8.077 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.402 -9.500 -7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.289 -9.360 -9.031 1.00 0.00 H new ATOM 1333 N GLY A 84 8.973 -6.010 -8.670 1.00 0.00 N ATOM 1334 CA GLY A 84 8.627 -4.927 -9.596 1.00 0.00 C ATOM 1335 C GLY A 84 7.263 -4.326 -9.282 1.00 0.00 C ATOM 1336 O GLY A 84 7.058 -3.111 -9.431 1.00 0.00 O ATOM 0 H GLY A 84 8.699 -5.828 -7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.388 -4.148 -9.544 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.630 -5.308 -10.617 1.00 0.00 H new ATOM 1340 N ARG A 85 6.336 -5.185 -8.829 1.00 0.00 N ATOM 1341 CA ARG A 85 4.953 -4.789 -8.497 1.00 0.00 C ATOM 1342 C ARG A 85 4.890 -3.890 -7.258 1.00 0.00 C ATOM 1343 O ARG A 85 5.563 -4.152 -6.259 1.00 0.00 O ATOM 1344 CB ARG A 85 4.062 -6.036 -8.257 1.00 0.00 C ATOM 1345 CG ARG A 85 3.595 -6.755 -9.532 1.00 0.00 C ATOM 1346 CD ARG A 85 2.746 -7.993 -9.203 1.00 0.00 C ATOM 1347 NE ARG A 85 2.091 -8.568 -10.384 1.00 0.00 N ATOM 1348 CZ ARG A 85 2.656 -9.371 -11.289 1.00 0.00 C ATOM 1349 NH1 ARG A 85 3.966 -9.619 -11.280 1.00 0.00 N ATOM 1350 NH2 ARG A 85 1.891 -9.907 -12.229 1.00 0.00 N ATOM 0 H ARG A 85 6.522 -6.177 -8.681 1.00 0.00 H new ATOM 0 HA ARG A 85 4.581 -4.226 -9.353 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.614 -6.745 -7.640 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.184 -5.732 -7.687 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.014 -6.067 -10.146 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.462 -7.054 -10.121 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.380 -8.750 -8.741 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.987 -7.722 -8.469 1.00 0.00 H new ATOM 0 HE ARG A 85 1.109 -8.331 -10.527 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.561 -9.191 -10.570 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.373 -10.236 -11.983 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.892 -9.703 -12.251 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.301 -10.523 -12.931 1.00 0.00 H new ATOM 1364 N VAL A 86 4.043 -2.856 -7.343 1.00 0.00 N ATOM 1365 CA VAL A 86 3.725 -1.951 -6.229 1.00 0.00 C ATOM 1366 C VAL A 86 2.275 -2.242 -5.775 1.00 0.00 C ATOM 1367 O VAL A 86 1.288 -1.676 -6.278 1.00 0.00 O ATOM 1368 CB VAL A 86 3.976 -0.438 -6.613 1.00 0.00 C ATOM 1369 CG1 VAL A 86 3.277 -0.034 -7.936 1.00 0.00 C ATOM 1370 CG2 VAL A 86 3.609 0.508 -5.437 1.00 0.00 C ATOM 0 H VAL A 86 3.550 -2.620 -8.204 1.00 0.00 H new ATOM 0 HA VAL A 86 4.394 -2.133 -5.388 1.00 0.00 H new ATOM 0 HB VAL A 86 5.045 -0.328 -6.798 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.483 1.015 -8.151 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.654 -0.652 -8.750 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.201 -0.180 -7.838 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.792 1.542 -5.731 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.556 0.384 -5.185 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.221 0.264 -4.569 1.00 0.00 H new ATOM 1380 N LEU A 87 2.173 -3.222 -4.868 1.00 0.00 N ATOM 1381 CA LEU A 87 0.895 -3.743 -4.366 1.00 0.00 C ATOM 1382 C LEU A 87 0.226 -2.732 -3.426 1.00 0.00 C ATOM 1383 O LEU A 87 0.893 -1.947 -2.747 1.00 0.00 O ATOM 1384 CB LEU A 87 1.087 -5.115 -3.644 1.00 0.00 C ATOM 1385 CG LEU A 87 1.693 -6.289 -4.486 1.00 0.00 C ATOM 1386 CD1 LEU A 87 1.036 -6.406 -5.873 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.227 -6.206 -4.585 1.00 0.00 C ATOM 0 H LEU A 87 2.986 -3.681 -4.457 1.00 0.00 H new ATOM 0 HA LEU A 87 0.243 -3.902 -5.225 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.729 -4.954 -2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.117 -5.436 -3.266 1.00 0.00 H new ATOM 0 HG LEU A 87 1.462 -7.207 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.488 -7.233 -6.421 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.032 -6.589 -5.755 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.186 -5.479 -6.426 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.599 -7.041 -5.178 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.511 -5.268 -5.062 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.659 -6.250 -3.585 1.00 0.00 H new ATOM 1399 N ASN A 88 -1.102 -2.763 -3.421 1.00 0.00 N ATOM 1400 CA ASN A 88 -1.937 -1.886 -2.597 1.00 0.00 C ATOM 1401 C ASN A 88 -2.575 -2.723 -1.491 1.00 0.00 C ATOM 1402 O ASN A 88 -3.027 -3.847 -1.758 1.00 0.00 O ATOM 1403 CB ASN A 88 -3.025 -1.224 -3.472 1.00 0.00 C ATOM 1404 CG ASN A 88 -2.466 -0.247 -4.505 1.00 0.00 C ATOM 1405 OD1 ASN A 88 -1.885 -0.769 -5.575 1.00 0.00 O flip ATOM 1406 ND2 ASN A 88 -2.503 0.967 -4.314 1.00 0.00 N flip ATOM 0 H ASN A 88 -1.641 -3.408 -3.998 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.331 -1.097 -2.153 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.589 -2.002 -3.987 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.727 -0.696 -2.827 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.958 1.338 -3.480 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.079 1.603 -4.990 1.00 0.00 H new ATOM 1413 N ILE A 89 -2.635 -2.170 -0.267 1.00 0.00 N ATOM 1414 CA ILE A 89 -3.170 -2.891 0.903 1.00 0.00 C ATOM 1415 C ILE A 89 -4.703 -2.900 0.818 1.00 0.00 C ATOM 1416 O ILE A 89 -5.348 -1.858 1.000 1.00 0.00 O ATOM 1417 CB ILE A 89 -2.690 -2.257 2.272 1.00 0.00 C ATOM 1418 CG1 ILE A 89 -1.131 -2.291 2.369 1.00 0.00 C ATOM 1419 CG2 ILE A 89 -3.341 -2.967 3.501 1.00 0.00 C ATOM 1420 CD1 ILE A 89 -0.558 -1.685 3.646 1.00 0.00 C ATOM 0 H ILE A 89 -2.318 -1.222 -0.061 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.786 -3.911 0.885 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.019 -1.218 2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.798 -3.326 2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.716 -1.760 1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.985 -2.502 4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.425 -2.873 3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.067 -4.022 3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.530 -1.753 3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.855 -0.639 3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.939 -2.230 4.510 1.00 0.00 H new ATOM 1432 N ILE A 90 -5.268 -4.068 0.473 1.00 0.00 N ATOM 1433 CA ILE A 90 -6.726 -4.263 0.335 1.00 0.00 C ATOM 1434 C ILE A 90 -7.388 -4.407 1.729 1.00 0.00 C ATOM 1435 O ILE A 90 -7.767 -5.502 2.168 1.00 0.00 O ATOM 1436 CB ILE A 90 -7.066 -5.486 -0.622 1.00 0.00 C ATOM 1437 CG1 ILE A 90 -6.257 -6.774 -0.229 1.00 0.00 C ATOM 1438 CG2 ILE A 90 -6.819 -5.105 -2.104 1.00 0.00 C ATOM 1439 CD1 ILE A 90 -6.670 -8.045 -0.952 1.00 0.00 C ATOM 0 H ILE A 90 -4.726 -4.910 0.280 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.146 -3.376 -0.140 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.124 -5.718 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.200 -6.592 -0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.361 -6.935 0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.057 -5.955 -2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.453 -4.260 -2.373 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.773 -4.831 -2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.052 -8.875 -0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.717 -8.261 -0.740 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.538 -7.912 -2.026 1.00 0.00 H new ATOM 1451 N GLY A 91 -7.493 -3.270 2.431 1.00 0.00 N ATOM 1452 CA GLY A 91 -7.985 -3.218 3.808 1.00 0.00 C ATOM 1453 C GLY A 91 -6.950 -2.583 4.721 1.00 0.00 C ATOM 1454 O GLY A 91 -6.270 -1.635 4.316 1.00 0.00 O ATOM 0 H GLY A 91 -7.237 -2.357 2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.912 -2.646 3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.216 -4.225 4.156 1.00 0.00 H new ATOM 1458 N GLN A 92 -6.811 -3.113 5.940 1.00 0.00 N ATOM 1459 CA GLN A 92 -5.868 -2.601 6.955 1.00 0.00 C ATOM 1460 C GLN A 92 -4.990 -3.764 7.458 1.00 0.00 C ATOM 1461 O GLN A 92 -5.523 -4.857 7.674 1.00 0.00 O ATOM 1462 CB GLN A 92 -6.651 -1.960 8.142 1.00 0.00 C ATOM 1463 CG GLN A 92 -7.561 -0.778 7.736 1.00 0.00 C ATOM 1464 CD GLN A 92 -8.345 -0.174 8.908 1.00 0.00 C ATOM 1465 OE1 GLN A 92 -8.688 -0.861 9.875 1.00 0.00 O ATOM 1466 NE2 GLN A 92 -8.656 1.109 8.811 1.00 0.00 N ATOM 0 H GLN A 92 -7.352 -3.917 6.259 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.234 -1.834 6.510 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.262 -2.728 8.616 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -5.937 -1.614 8.889 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.949 0.000 7.280 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.265 -1.117 6.976 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -8.356 1.646 7.998 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -9.196 1.560 9.550 1.00 0.00 H new ATOM 1475 N PRO A 93 -3.642 -3.559 7.658 1.00 0.00 N ATOM 1476 CA PRO A 93 -2.702 -4.628 8.120 1.00 0.00 C ATOM 1477 C PRO A 93 -3.158 -5.287 9.445 1.00 0.00 C ATOM 1478 O PRO A 93 -3.690 -4.609 10.337 1.00 0.00 O ATOM 1479 CB PRO A 93 -1.348 -3.876 8.291 1.00 0.00 C ATOM 1480 CG PRO A 93 -1.722 -2.427 8.358 1.00 0.00 C ATOM 1481 CD PRO A 93 -2.912 -2.280 7.449 1.00 0.00 C ATOM 0 HA PRO A 93 -2.644 -5.457 7.414 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.831 -4.193 9.196 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.677 -4.073 7.455 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.968 -2.131 9.378 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.898 -1.793 8.032 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.522 -1.417 7.716 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.614 -2.149 6.409 1.00 0.00 H new ATOM 1489 N LEU A 94 -2.955 -6.607 9.551 1.00 0.00 N ATOM 1490 CA LEU A 94 -3.443 -7.426 10.675 1.00 0.00 C ATOM 1491 C LEU A 94 -2.221 -8.095 11.359 1.00 0.00 C ATOM 1492 O LEU A 94 -1.496 -8.846 10.706 1.00 0.00 O ATOM 1493 CB LEU A 94 -4.480 -8.483 10.137 1.00 0.00 C ATOM 1494 CG LEU A 94 -5.558 -9.049 11.137 1.00 0.00 C ATOM 1495 CD1 LEU A 94 -4.954 -9.932 12.243 1.00 0.00 C ATOM 1496 CD2 LEU A 94 -6.415 -7.913 11.733 1.00 0.00 C ATOM 0 H LEU A 94 -2.442 -7.145 8.852 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.958 -6.815 11.417 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.010 -8.032 9.298 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.918 -9.329 9.741 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.208 -9.699 10.551 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.749 -10.290 12.898 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.445 -10.784 11.791 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.240 -9.349 12.825 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.150 -8.333 12.419 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.772 -7.217 12.272 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.929 -7.385 10.930 1.00 0.00 H new ATOM 1508 N PRO A 95 -1.966 -7.824 12.685 1.00 0.00 N ATOM 1509 CA PRO A 95 -0.849 -8.462 13.433 1.00 0.00 C ATOM 1510 C PRO A 95 -1.011 -9.998 13.526 1.00 0.00 C ATOM 1511 O PRO A 95 -2.120 -10.525 13.435 1.00 0.00 O ATOM 1512 CB PRO A 95 -0.911 -7.781 14.835 1.00 0.00 C ATOM 1513 CG PRO A 95 -2.323 -7.291 14.952 1.00 0.00 C ATOM 1514 CD PRO A 95 -2.716 -6.871 13.550 1.00 0.00 C ATOM 0 HA PRO A 95 0.114 -8.325 12.942 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -0.668 -8.486 15.630 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -0.198 -6.960 14.909 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.982 -8.074 15.327 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.393 -6.455 15.648 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.792 -6.947 13.394 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.437 -5.837 13.346 1.00 0.00 H new ATOM 1522 N ASP A 96 0.110 -10.704 13.696 1.00 0.00 N ATOM 1523 CA ASP A 96 0.126 -12.172 13.837 1.00 0.00 C ATOM 1524 C ASP A 96 -0.514 -12.595 15.175 1.00 0.00 C ATOM 1525 O ASP A 96 -0.451 -11.848 16.157 1.00 0.00 O ATOM 1526 CB ASP A 96 1.582 -12.675 13.758 1.00 0.00 C ATOM 1527 CG ASP A 96 1.778 -14.165 14.060 1.00 0.00 C ATOM 1528 OD1 ASP A 96 1.177 -15.019 13.368 1.00 0.00 O ATOM 1529 OD2 ASP A 96 2.563 -14.483 14.968 1.00 0.00 O ATOM 0 H ASP A 96 1.036 -10.278 13.741 1.00 0.00 H new ATOM 0 HA ASP A 96 -0.455 -12.615 13.028 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.966 -12.470 12.759 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.187 -12.097 14.457 1.00 0.00 H new ATOM 1534 N ALA A 97 -1.097 -13.806 15.189 1.00 0.00 N ATOM 1535 CA ALA A 97 -1.721 -14.417 16.378 1.00 0.00 C ATOM 1536 C ALA A 97 -0.712 -14.579 17.536 1.00 0.00 C ATOM 1537 O ALA A 97 -1.042 -14.333 18.700 1.00 0.00 O ATOM 1538 CB ALA A 97 -2.324 -15.778 15.992 1.00 0.00 C ATOM 0 H ALA A 97 -1.149 -14.399 14.361 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.510 -13.753 16.732 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.786 -16.233 16.868 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.077 -15.636 15.217 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.537 -16.432 15.617 1.00 0.00 H new ATOM 1544 N ALA A 98 0.520 -14.993 17.193 1.00 0.00 N ATOM 1545 CA ALA A 98 1.624 -15.166 18.167 1.00 0.00 C ATOM 1546 C ALA A 98 2.464 -13.873 18.324 1.00 0.00 C ATOM 1547 O ALA A 98 3.409 -13.843 19.127 1.00 0.00 O ATOM 1548 CB ALA A 98 2.513 -16.347 17.734 1.00 0.00 C ATOM 0 H ALA A 98 0.784 -15.218 16.234 1.00 0.00 H new ATOM 0 HA ALA A 98 1.188 -15.381 19.142 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.324 -16.473 18.451 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.916 -17.258 17.698 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.929 -16.146 16.747 1.00 0.00 H new ATOM 1554 N ARG A 99 2.129 -12.834 17.511 1.00 0.00 N ATOM 1555 CA ARG A 99 2.762 -11.483 17.547 1.00 0.00 C ATOM 1556 C ARG A 99 4.271 -11.507 17.182 1.00 0.00 C ATOM 1557 O ARG A 99 4.970 -10.510 17.400 1.00 0.00 O ATOM 1558 CB ARG A 99 2.543 -10.750 18.920 1.00 0.00 C ATOM 1559 CG ARG A 99 1.150 -10.105 19.148 1.00 0.00 C ATOM 1560 CD ARG A 99 0.012 -11.122 19.308 1.00 0.00 C ATOM 1561 NE ARG A 99 -1.263 -10.470 19.680 1.00 0.00 N ATOM 1562 CZ ARG A 99 -2.434 -10.599 19.033 1.00 0.00 C ATOM 1563 NH1 ARG A 99 -2.541 -11.343 17.942 1.00 0.00 N ATOM 1564 NH2 ARG A 99 -3.502 -9.971 19.491 1.00 0.00 N ATOM 0 H ARG A 99 1.401 -12.911 16.801 1.00 0.00 H new ATOM 0 HA ARG A 99 2.248 -10.911 16.774 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.722 -11.467 19.721 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.299 -9.971 19.015 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.192 -9.479 20.039 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.922 -9.449 18.308 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.119 -11.670 18.375 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.282 -11.852 20.071 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.252 -9.867 20.503 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.724 -11.833 17.576 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.440 -11.426 17.468 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -3.434 -9.394 20.329 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -4.395 -10.063 19.006 1.00 0.00 H new ATOM 1578 N THR A 100 4.750 -12.607 16.576 1.00 0.00 N ATOM 1579 CA THR A 100 6.174 -12.750 16.194 1.00 0.00 C ATOM 1580 C THR A 100 6.466 -12.042 14.845 1.00 0.00 C ATOM 1581 O THR A 100 7.626 -11.882 14.449 1.00 0.00 O ATOM 1582 CB THR A 100 6.596 -14.259 16.130 1.00 0.00 C ATOM 1583 OG1 THR A 100 8.020 -14.381 15.947 1.00 0.00 O ATOM 1584 CG2 THR A 100 5.873 -15.031 15.011 1.00 0.00 C ATOM 0 H THR A 100 4.174 -13.414 16.338 1.00 0.00 H new ATOM 0 HA THR A 100 6.771 -12.265 16.967 1.00 0.00 H new ATOM 0 HB THR A 100 6.303 -14.700 17.083 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.265 -15.329 15.911 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.204 -16.070 15.013 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.797 -14.992 15.179 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.106 -14.578 14.047 1.00 0.00 H new ATOM 1592 N ARG A 101 5.398 -11.568 14.179 1.00 0.00 N ATOM 1593 CA ARG A 101 5.472 -10.969 12.839 1.00 0.00 C ATOM 1594 C ARG A 101 4.180 -10.159 12.574 1.00 0.00 C ATOM 1595 O ARG A 101 3.249 -10.177 13.383 1.00 0.00 O ATOM 1596 CB ARG A 101 5.770 -12.077 11.763 1.00 0.00 C ATOM 1597 CG ARG A 101 4.758 -13.254 11.686 1.00 0.00 C ATOM 1598 CD ARG A 101 3.627 -13.040 10.669 1.00 0.00 C ATOM 1599 NE ARG A 101 2.542 -14.026 10.855 1.00 0.00 N ATOM 1600 CZ ARG A 101 1.522 -14.206 10.021 1.00 0.00 C ATOM 1601 NH1 ARG A 101 1.541 -13.649 8.827 1.00 0.00 N ATOM 1602 NH2 ARG A 101 0.492 -14.959 10.383 1.00 0.00 N ATOM 0 H ARG A 101 4.452 -11.591 14.561 1.00 0.00 H new ATOM 0 HA ARG A 101 6.302 -10.266 12.772 1.00 0.00 H new ATOM 0 HB2 ARG A 101 5.814 -11.600 10.784 1.00 0.00 H new ATOM 0 HB3 ARG A 101 6.759 -12.489 11.962 1.00 0.00 H new ATOM 0 HG2 ARG A 101 5.296 -14.166 11.429 1.00 0.00 H new ATOM 0 HG3 ARG A 101 4.321 -13.409 12.672 1.00 0.00 H new ATOM 0 HD2 ARG A 101 3.227 -12.032 10.774 1.00 0.00 H new ATOM 0 HD3 ARG A 101 4.025 -13.121 9.657 1.00 0.00 H new ATOM 0 HE ARG A 101 2.578 -14.614 11.688 1.00 0.00 H new ATOM 0 HH11 ARG A 101 2.338 -13.080 8.542 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.759 -13.787 8.187 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.481 -15.401 11.302 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.290 -15.096 9.742 1.00 0.00 H new ATOM 1616 N LEU A 102 4.169 -9.379 11.496 1.00 0.00 N ATOM 1617 CA LEU A 102 2.992 -8.605 11.060 1.00 0.00 C ATOM 1618 C LEU A 102 2.532 -9.182 9.711 1.00 0.00 C ATOM 1619 O LEU A 102 3.360 -9.394 8.819 1.00 0.00 O ATOM 1620 CB LEU A 102 3.364 -7.079 10.941 1.00 0.00 C ATOM 1621 CG LEU A 102 2.290 -6.032 11.394 1.00 0.00 C ATOM 1622 CD1 LEU A 102 0.962 -6.168 10.619 1.00 0.00 C ATOM 1623 CD2 LEU A 102 2.070 -6.092 12.924 1.00 0.00 C ATOM 0 H LEU A 102 4.981 -9.260 10.890 1.00 0.00 H new ATOM 0 HA LEU A 102 2.181 -8.681 11.785 1.00 0.00 H new ATOM 0 HB2 LEU A 102 4.268 -6.907 11.526 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.614 -6.875 9.900 1.00 0.00 H new ATOM 0 HG LEU A 102 2.683 -5.046 11.149 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.255 -5.418 10.974 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.145 -6.019 9.555 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.547 -7.163 10.780 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.320 -5.356 13.213 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.727 -7.088 13.203 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.008 -5.875 13.435 1.00 0.00 H new ATOM 1635 N GLU A 103 1.226 -9.464 9.565 1.00 0.00 N ATOM 1636 CA GLU A 103 0.679 -9.957 8.296 1.00 0.00 C ATOM 1637 C GLU A 103 0.011 -8.813 7.539 1.00 0.00 C ATOM 1638 O GLU A 103 -0.975 -8.230 8.001 1.00 0.00 O ATOM 1639 CB GLU A 103 -0.325 -11.115 8.491 1.00 0.00 C ATOM 1640 CG GLU A 103 -0.737 -11.770 7.157 1.00 0.00 C ATOM 1641 CD GLU A 103 -1.592 -13.020 7.342 1.00 0.00 C ATOM 1642 OE1 GLU A 103 -1.031 -14.102 7.606 1.00 0.00 O ATOM 1643 OE2 GLU A 103 -2.825 -12.941 7.215 1.00 0.00 O ATOM 0 H GLU A 103 0.535 -9.359 10.308 1.00 0.00 H new ATOM 0 HA GLU A 103 1.515 -10.350 7.717 1.00 0.00 H new ATOM 0 HB2 GLU A 103 0.117 -11.870 9.141 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.214 -10.739 8.998 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.289 -11.045 6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.160 -12.031 6.595 1.00 0.00 H new ATOM 1650 N ILE A 104 0.588 -8.479 6.390 1.00 0.00 N ATOM 1651 CA ILE A 104 0.023 -7.497 5.466 1.00 0.00 C ATOM 1652 C ILE A 104 -0.820 -8.243 4.421 1.00 0.00 C ATOM 1653 O ILE A 104 -0.411 -9.298 3.928 1.00 0.00 O ATOM 1654 CB ILE A 104 1.154 -6.657 4.741 1.00 0.00 C ATOM 1655 CG1 ILE A 104 2.262 -6.208 5.750 1.00 0.00 C ATOM 1656 CG2 ILE A 104 0.550 -5.436 3.996 1.00 0.00 C ATOM 1657 CD1 ILE A 104 1.756 -5.430 6.950 1.00 0.00 C ATOM 0 H ILE A 104 1.468 -8.884 6.069 1.00 0.00 H new ATOM 0 HA ILE A 104 -0.593 -6.797 6.031 1.00 0.00 H new ATOM 0 HB ILE A 104 1.624 -7.304 4.000 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.789 -7.093 6.105 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.990 -5.595 5.219 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.348 -4.877 3.507 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -0.162 -5.783 3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.039 -4.790 4.710 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.596 -5.163 7.591 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.256 -4.523 6.611 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.052 -6.044 7.511 1.00 0.00 H new ATOM 1669 N LEU A 105 -2.001 -7.709 4.118 1.00 0.00 N ATOM 1670 CA LEU A 105 -2.839 -8.190 3.016 1.00 0.00 C ATOM 1671 C LEU A 105 -2.815 -7.120 1.925 1.00 0.00 C ATOM 1672 O LEU A 105 -3.012 -5.932 2.191 1.00 0.00 O ATOM 1673 CB LEU A 105 -4.304 -8.533 3.456 1.00 0.00 C ATOM 1674 CG LEU A 105 -5.207 -7.374 4.023 1.00 0.00 C ATOM 1675 CD1 LEU A 105 -6.675 -7.822 4.171 1.00 0.00 C ATOM 1676 CD2 LEU A 105 -4.680 -6.810 5.360 1.00 0.00 C ATOM 0 H LEU A 105 -2.408 -6.927 4.631 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.435 -9.132 2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.817 -8.963 2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.248 -9.312 4.216 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.162 -6.569 3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.269 -6.997 4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.065 -8.118 3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.730 -8.668 4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.340 -6.014 5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.651 -7.606 6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.676 -6.411 5.216 1.00 0.00 H new ATOM 1688 N CYS A 106 -2.554 -7.557 0.706 1.00 0.00 N ATOM 1689 CA CYS A 106 -2.374 -6.684 -0.451 1.00 0.00 C ATOM 1690 C CYS A 106 -2.886 -7.402 -1.685 1.00 0.00 C ATOM 1691 O CYS A 106 -3.237 -8.582 -1.626 1.00 0.00 O ATOM 1692 CB CYS A 106 -0.887 -6.286 -0.648 1.00 0.00 C ATOM 1693 SG CYS A 106 -0.148 -5.398 0.737 1.00 0.00 S ATOM 0 H CYS A 106 -2.458 -8.548 0.483 1.00 0.00 H new ATOM 0 HA CYS A 106 -2.935 -5.765 -0.284 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -0.306 -7.189 -0.833 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -0.807 -5.667 -1.542 1.00 0.00 H new ATOM 0 HG CYS A 106 -0.129 -4.125 0.476 1.00 0.00 H new ATOM 1699 N ARG A 107 -2.959 -6.673 -2.789 1.00 0.00 N ATOM 1700 CA ARG A 107 -3.260 -7.248 -4.099 1.00 0.00 C ATOM 1701 C ARG A 107 -2.760 -6.311 -5.197 1.00 0.00 C ATOM 1702 O ARG A 107 -2.490 -5.121 -4.955 1.00 0.00 O ATOM 1703 CB ARG A 107 -4.789 -7.534 -4.240 1.00 0.00 C ATOM 1704 CG ARG A 107 -5.171 -8.501 -5.384 1.00 0.00 C ATOM 1705 CD ARG A 107 -6.661 -8.855 -5.391 1.00 0.00 C ATOM 1706 NE ARG A 107 -6.979 -9.909 -6.367 1.00 0.00 N ATOM 1707 CZ ARG A 107 -8.215 -10.297 -6.693 1.00 0.00 C ATOM 1708 NH1 ARG A 107 -9.280 -9.669 -6.201 1.00 0.00 N ATOM 1709 NH2 ARG A 107 -8.382 -11.308 -7.524 1.00 0.00 N ATOM 0 H ARG A 107 -2.811 -5.664 -2.805 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.743 -8.202 -4.200 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.154 -7.946 -3.299 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.307 -6.588 -4.396 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -4.905 -8.049 -6.339 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -4.586 -9.416 -5.291 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.959 -9.183 -4.395 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.243 -7.963 -5.620 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.199 -10.377 -6.828 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.159 -8.880 -5.566 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.218 -9.977 -6.459 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.570 -11.788 -7.913 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.323 -11.610 -7.777 1.00 0.00 H new ATOM 1723 N GLU A 108 -2.604 -6.884 -6.387 1.00 0.00 N ATOM 1724 CA GLU A 108 -2.259 -6.169 -7.615 1.00 0.00 C ATOM 1725 C GLU A 108 -3.379 -5.187 -7.992 1.00 0.00 C ATOM 1726 O GLU A 108 -4.566 -5.466 -7.758 1.00 0.00 O ATOM 1727 CB GLU A 108 -2.050 -7.216 -8.745 1.00 0.00 C ATOM 1728 CG GLU A 108 -1.020 -8.318 -8.414 1.00 0.00 C ATOM 1729 CD GLU A 108 -1.114 -9.529 -9.354 1.00 0.00 C ATOM 1730 OE1 GLU A 108 -0.673 -9.434 -10.516 1.00 0.00 O ATOM 1731 OE2 GLU A 108 -1.658 -10.575 -8.947 1.00 0.00 O ATOM 0 H GLU A 108 -2.717 -7.888 -6.529 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.345 -5.593 -7.469 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.007 -7.687 -8.969 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.731 -6.697 -9.649 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.016 -7.898 -8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.169 -8.650 -7.387 1.00 0.00 H new ATOM 1738 N GLY A 109 -2.990 -4.052 -8.581 1.00 0.00 N ATOM 1739 CA GLY A 109 -3.944 -3.119 -9.177 1.00 0.00 C ATOM 1740 C GLY A 109 -4.197 -3.485 -10.642 1.00 0.00 C ATOM 1741 O GLY A 109 -4.109 -2.631 -11.532 1.00 0.00 O ATOM 0 H GLY A 109 -2.016 -3.759 -8.657 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.882 -3.142 -8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -3.559 -2.101 -9.110 1.00 0.00 H new