USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=26 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 13 GLN : amide:sc= -2.32 K(o=-4.4,f=-6.5!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -170:sc= -2.05 (180deg=-1.67!) USER MOD Set 2.1: A 70 ASN : amide:sc= 0.802 K(o=1.6,f=-4.6!) USER MOD Set 2.2: A 72 THR OG1 : rot -69:sc= 0.777 USER MOD Set 3.1: A 38 SER OG : rot 180:sc= 0.266 USER MOD Set 3.2: A 40 ASN : amide:sc= 0.347 X(o=0.61,f=1.1) USER MOD Set 4.1: A 11 THR OG1 : rot -72:sc= 0.197 USER MOD Set 4.2: A 34 THR OG1 : rot 180:sc= 0.195 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.691 USER MOD Single : A 16 LYS NZ :NH3+ 134:sc= 0.329 (180deg=-0.413) USER MOD Single : A 17 GLN : amide:sc= 0.141 X(o=0.14,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.794 USER MOD Single : A 22 THR OG1 : rot 63:sc= 0.859 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -0.0239 F(o=-0.73,f=-0.024) USER MOD Single : A 41 MET CE :methyl 168:sc= -0.157 (180deg=-0.652) 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 45 LYS NZ :NH3+ -172:sc=-0.000679 (180deg=-0.0694) USER MOD Single : A 49 SER OG : rot 81:sc= 0.964 USER MOD Single : A 50 SER OG : rot -80:sc= 1.33 USER MOD Single : A 58 THR OG1 : rot 74:sc= 1.14 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -110:sc= 0.193 (180deg=0.00142) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 130:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.195 F(o=-2.5!,f=-0.19) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot -60:sc= 0.373 USER MOD Single : A 106 CYS SG : rot 110:sc= -4.66! USER MOD ----------------------------------------------------------------- ATOM 84 N LEU A 6 10.299 -15.588 5.976 1.00 0.00 N ATOM 85 CA LEU A 6 10.724 -14.334 5.324 1.00 0.00 C ATOM 86 C LEU A 6 12.035 -14.539 4.540 1.00 0.00 C ATOM 87 O LEU A 6 13.110 -14.651 5.136 1.00 0.00 O ATOM 88 CB LEU A 6 10.883 -13.191 6.367 1.00 0.00 C ATOM 89 CG LEU A 6 9.742 -13.034 7.430 1.00 0.00 C ATOM 90 CD1 LEU A 6 9.847 -11.686 8.165 1.00 0.00 C ATOM 91 CD2 LEU A 6 8.340 -13.242 6.830 1.00 0.00 C ATOM 0 HA LEU A 6 9.946 -14.044 4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 6 11.822 -13.346 6.898 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.974 -12.249 5.826 1.00 0.00 H new ATOM 0 HG LEU A 6 9.884 -13.829 8.162 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.042 -11.606 8.896 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.808 -11.624 8.675 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.765 -10.872 7.445 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.589 -13.122 7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.168 -12.507 6.044 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.269 -14.245 6.410 1.00 0.00 H new ATOM 103 N ARG A 7 11.921 -14.597 3.201 1.00 0.00 N ATOM 104 CA ARG A 7 13.053 -14.877 2.277 1.00 0.00 C ATOM 105 C ARG A 7 13.216 -13.783 1.202 1.00 0.00 C ATOM 106 O ARG A 7 14.246 -13.722 0.522 1.00 0.00 O ATOM 107 CB ARG A 7 12.834 -16.243 1.584 1.00 0.00 C ATOM 108 CG ARG A 7 12.933 -17.472 2.510 1.00 0.00 C ATOM 109 CD ARG A 7 12.658 -18.789 1.764 1.00 0.00 C ATOM 110 NE ARG A 7 13.467 -18.898 0.530 1.00 0.00 N ATOM 111 CZ ARG A 7 13.523 -19.961 -0.277 1.00 0.00 C ATOM 112 NH1 ARG A 7 12.904 -21.093 0.031 1.00 0.00 N ATOM 113 NH2 ARG A 7 14.203 -19.881 -1.409 1.00 0.00 N ATOM 0 H ARG A 7 11.035 -14.450 2.718 1.00 0.00 H new ATOM 0 HA ARG A 7 13.964 -14.894 2.876 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.851 -16.240 1.114 1.00 0.00 H new ATOM 0 HB3 ARG A 7 13.569 -16.349 0.786 1.00 0.00 H new ATOM 0 HG2 ARG A 7 13.927 -17.510 2.955 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.221 -17.365 3.329 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.879 -19.631 2.419 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.599 -18.850 1.512 1.00 0.00 H new ATOM 0 HE ARG A 7 14.033 -18.089 0.272 1.00 0.00 H new ATOM 0 HH11 ARG A 7 12.372 -21.164 0.898 1.00 0.00 H new ATOM 0 HH12 ARG A 7 12.960 -21.893 -0.600 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.678 -19.014 -1.658 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.252 -20.687 -2.032 1.00 0.00 H new ATOM 127 N ASP A 8 12.190 -12.936 1.062 1.00 0.00 N ATOM 128 CA ASP A 8 12.110 -11.863 0.049 1.00 0.00 C ATOM 129 C ASP A 8 12.427 -10.518 0.711 1.00 0.00 C ATOM 130 O ASP A 8 12.719 -10.466 1.912 1.00 0.00 O ATOM 131 CB ASP A 8 10.683 -11.814 -0.577 1.00 0.00 C ATOM 132 CG ASP A 8 10.231 -13.167 -1.158 1.00 0.00 C ATOM 133 OD1 ASP A 8 10.992 -13.768 -1.943 1.00 0.00 O ATOM 134 OD2 ASP A 8 9.126 -13.641 -0.817 1.00 0.00 O ATOM 0 H ASP A 8 11.367 -12.974 1.664 1.00 0.00 H new ATOM 0 HA ASP A 8 12.833 -12.065 -0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.970 -11.496 0.183 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.665 -11.062 -1.366 1.00 0.00 H new ATOM 139 N ARG A 9 12.379 -9.431 -0.082 1.00 0.00 N ATOM 140 CA ARG A 9 12.505 -8.052 0.432 1.00 0.00 C ATOM 141 C ARG A 9 11.453 -7.155 -0.217 1.00 0.00 C ATOM 142 O ARG A 9 11.108 -7.344 -1.391 1.00 0.00 O ATOM 143 CB ARG A 9 13.909 -7.445 0.182 1.00 0.00 C ATOM 144 CG ARG A 9 15.064 -8.190 0.870 1.00 0.00 C ATOM 145 CD ARG A 9 16.401 -7.453 0.727 1.00 0.00 C ATOM 146 NE ARG A 9 16.738 -7.170 -0.689 1.00 0.00 N ATOM 147 CZ ARG A 9 17.225 -6.008 -1.161 1.00 0.00 C ATOM 148 NH1 ARG A 9 17.498 -5.000 -0.340 1.00 0.00 N ATOM 149 NH2 ARG A 9 17.433 -5.858 -2.465 1.00 0.00 N ATOM 0 H ARG A 9 12.252 -9.482 -1.093 1.00 0.00 H new ATOM 0 HA ARG A 9 12.353 -8.104 1.510 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.096 -7.426 -0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.908 -6.410 0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.833 -8.316 1.928 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.155 -9.188 0.442 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.358 -6.516 1.282 1.00 0.00 H new ATOM 0 HD3 ARG A 9 17.194 -8.053 1.174 1.00 0.00 H new ATOM 0 HE ARG A 9 16.588 -7.921 -1.363 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.339 -5.101 0.662 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.867 -4.125 -0.712 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.223 -6.623 -3.106 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.802 -4.978 -2.825 1.00 0.00 H new ATOM 163 N ILE A 10 10.973 -6.166 0.552 1.00 0.00 N ATOM 164 CA ILE A 10 9.960 -5.180 0.098 1.00 0.00 C ATOM 165 C ILE A 10 10.335 -3.784 0.615 1.00 0.00 C ATOM 166 O ILE A 10 10.857 -3.654 1.725 1.00 0.00 O ATOM 167 CB ILE A 10 8.473 -5.516 0.567 1.00 0.00 C ATOM 168 CG1 ILE A 10 8.188 -5.203 2.094 1.00 0.00 C ATOM 169 CG2 ILE A 10 8.078 -6.968 0.223 1.00 0.00 C ATOM 170 CD1 ILE A 10 9.113 -5.843 3.112 1.00 0.00 C ATOM 0 H ILE A 10 11.275 -6.020 1.515 1.00 0.00 H new ATOM 0 HA ILE A 10 9.967 -5.220 -0.991 1.00 0.00 H new ATOM 0 HB ILE A 10 7.839 -4.837 -0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.228 -4.122 2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.168 -5.515 2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.058 -7.157 0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.138 -7.116 -0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.758 -7.658 0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.809 -5.548 4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.060 -6.928 3.021 1.00 0.00 H new ATOM 0 HD13 ILE A 10 10.136 -5.514 2.932 1.00 0.00 H new ATOM 182 N THR A 11 10.071 -2.759 -0.188 1.00 0.00 N ATOM 183 CA THR A 11 10.226 -1.365 0.211 1.00 0.00 C ATOM 184 C THR A 11 8.847 -0.808 0.621 1.00 0.00 C ATOM 185 O THR A 11 7.876 -0.959 -0.132 1.00 0.00 O ATOM 186 CB THR A 11 10.833 -0.530 -0.961 1.00 0.00 C ATOM 187 OG1 THR A 11 11.870 -1.295 -1.600 1.00 0.00 O ATOM 188 CG2 THR A 11 11.418 0.789 -0.458 1.00 0.00 C ATOM 0 H THR A 11 9.739 -2.874 -1.146 1.00 0.00 H new ATOM 0 HA THR A 11 10.909 -1.298 1.058 1.00 0.00 H new ATOM 0 HB THR A 11 10.036 -0.303 -1.669 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.651 -1.344 -1.010 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.833 1.347 -1.298 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.633 1.378 0.017 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.206 0.585 0.266 1.00 0.00 H new ATOM 196 N ILE A 12 8.770 -0.219 1.827 1.00 0.00 N ATOM 197 CA ILE A 12 7.514 0.336 2.387 1.00 0.00 C ATOM 198 C ILE A 12 7.228 1.735 1.802 1.00 0.00 C ATOM 199 O ILE A 12 7.909 2.694 2.136 1.00 0.00 O ATOM 200 CB ILE A 12 7.579 0.441 3.967 1.00 0.00 C ATOM 201 CG1 ILE A 12 8.025 -0.912 4.614 1.00 0.00 C ATOM 202 CG2 ILE A 12 6.225 0.933 4.561 1.00 0.00 C ATOM 203 CD1 ILE A 12 7.112 -2.094 4.348 1.00 0.00 C ATOM 0 H ILE A 12 9.574 -0.112 2.445 1.00 0.00 H new ATOM 0 HA ILE A 12 6.711 -0.348 2.112 1.00 0.00 H new ATOM 0 HB ILE A 12 8.336 1.186 4.212 1.00 0.00 H new ATOM 0 HG12 ILE A 12 9.023 -1.157 4.251 1.00 0.00 H new ATOM 0 HG13 ILE A 12 8.104 -0.771 5.692 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.304 0.994 5.646 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.988 1.918 4.159 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.434 0.232 4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.512 -2.980 4.840 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.117 -1.880 4.738 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.051 -2.272 3.274 1.00 0.00 H new ATOM 215 N GLN A 13 6.234 1.834 0.909 1.00 0.00 N ATOM 216 CA GLN A 13 5.774 3.132 0.369 1.00 0.00 C ATOM 217 C GLN A 13 4.846 3.816 1.375 1.00 0.00 C ATOM 218 O GLN A 13 3.658 3.525 1.450 1.00 0.00 O ATOM 219 CB GLN A 13 5.082 3.000 -1.023 1.00 0.00 C ATOM 220 CG GLN A 13 6.049 2.671 -2.171 1.00 0.00 C ATOM 221 CD GLN A 13 6.610 1.257 -2.111 1.00 0.00 C ATOM 222 OE1 GLN A 13 5.916 0.326 -1.710 1.00 0.00 O ATOM 223 NE2 GLN A 13 7.888 1.093 -2.421 1.00 0.00 N ATOM 0 H GLN A 13 5.727 1.029 0.540 1.00 0.00 H new ATOM 0 HA GLN A 13 6.659 3.749 0.213 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.322 2.221 -0.967 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.567 3.933 -1.251 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.532 2.807 -3.121 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.875 3.382 -2.153 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.438 1.886 -2.751 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.321 0.174 -2.329 1.00 0.00 H new ATOM 232 N THR A 14 5.436 4.711 2.152 1.00 0.00 N ATOM 233 CA THR A 14 4.716 5.559 3.102 1.00 0.00 C ATOM 234 C THR A 14 4.109 6.755 2.337 1.00 0.00 C ATOM 235 O THR A 14 4.786 7.347 1.485 1.00 0.00 O ATOM 236 CB THR A 14 5.686 6.032 4.228 1.00 0.00 C ATOM 237 OG1 THR A 14 6.903 6.534 3.654 1.00 0.00 O ATOM 238 CG2 THR A 14 6.028 4.892 5.209 1.00 0.00 C ATOM 0 H THR A 14 6.443 4.875 2.144 1.00 0.00 H new ATOM 0 HA THR A 14 3.908 5.001 3.576 1.00 0.00 H new ATOM 0 HB THR A 14 5.177 6.821 4.781 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.504 6.830 4.369 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.706 5.264 5.977 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.113 4.528 5.677 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.507 4.077 4.667 1.00 0.00 H new ATOM 246 N LEU A 15 2.840 7.106 2.629 1.00 0.00 N ATOM 247 CA LEU A 15 2.105 8.133 1.871 1.00 0.00 C ATOM 248 C LEU A 15 2.556 9.531 2.318 1.00 0.00 C ATOM 249 O LEU A 15 2.140 10.030 3.372 1.00 0.00 O ATOM 250 CB LEU A 15 0.574 7.964 2.054 1.00 0.00 C ATOM 251 CG LEU A 15 -0.338 8.953 1.256 1.00 0.00 C ATOM 252 CD1 LEU A 15 -0.146 8.807 -0.265 1.00 0.00 C ATOM 253 CD2 LEU A 15 -1.817 8.783 1.653 1.00 0.00 C ATOM 0 H LEU A 15 2.303 6.689 3.389 1.00 0.00 H new ATOM 0 HA LEU A 15 2.328 8.013 0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.306 6.947 1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.344 8.068 3.114 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.033 9.965 1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.797 9.511 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.892 9.016 -0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.397 7.790 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.429 9.482 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.136 7.763 1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.933 8.983 2.718 1.00 0.00 H new ATOM 265 N LYS A 16 3.455 10.125 1.529 1.00 0.00 N ATOM 266 CA LYS A 16 3.983 11.466 1.758 1.00 0.00 C ATOM 267 C LYS A 16 2.928 12.525 1.378 1.00 0.00 C ATOM 268 O LYS A 16 2.804 12.900 0.205 1.00 0.00 O ATOM 269 CB LYS A 16 5.286 11.655 0.932 1.00 0.00 C ATOM 270 CG LYS A 16 6.077 12.928 1.275 1.00 0.00 C ATOM 271 CD LYS A 16 7.366 13.092 0.443 1.00 0.00 C ATOM 272 CE LYS A 16 8.255 14.223 0.985 1.00 0.00 C ATOM 273 NZ LYS A 16 8.721 13.942 2.368 1.00 0.00 N ATOM 0 H LYS A 16 3.841 9.676 0.699 1.00 0.00 H new ATOM 0 HA LYS A 16 4.218 11.591 2.815 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.929 10.789 1.088 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.030 11.675 -0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.438 13.797 1.117 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.336 12.911 2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.924 12.156 0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.105 13.300 -0.595 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.117 14.354 0.330 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.699 15.161 0.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.739 14.142 2.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.202 14.544 3.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.548 12.942 2.596 1.00 0.00 H new ATOM 287 N GLN A 17 2.156 12.960 2.379 1.00 0.00 N ATOM 288 CA GLN A 17 1.100 13.968 2.216 1.00 0.00 C ATOM 289 C GLN A 17 1.704 15.355 2.490 1.00 0.00 C ATOM 290 O GLN A 17 1.640 15.867 3.615 1.00 0.00 O ATOM 291 CB GLN A 17 -0.085 13.657 3.178 1.00 0.00 C ATOM 292 CG GLN A 17 -0.679 12.248 3.026 1.00 0.00 C ATOM 293 CD GLN A 17 -1.879 12.000 3.945 1.00 0.00 C ATOM 294 OE1 GLN A 17 -1.721 11.583 5.087 1.00 0.00 O ATOM 295 NE2 GLN A 17 -3.079 12.241 3.448 1.00 0.00 N ATOM 0 H GLN A 17 2.247 12.619 3.336 1.00 0.00 H new ATOM 0 HA GLN A 17 0.707 13.950 1.200 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.255 13.785 4.206 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.874 14.390 3.010 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.985 12.099 1.991 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.094 11.509 3.240 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.176 12.588 2.494 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.909 12.080 4.019 1.00 0.00 H new ATOM 304 N THR A 18 2.332 15.933 1.462 1.00 0.00 N ATOM 305 CA THR A 18 3.103 17.177 1.586 1.00 0.00 C ATOM 306 C THR A 18 2.207 18.386 1.331 1.00 0.00 C ATOM 307 O THR A 18 1.555 18.460 0.299 1.00 0.00 O ATOM 308 CB THR A 18 4.296 17.180 0.584 1.00 0.00 C ATOM 309 OG1 THR A 18 5.118 16.027 0.834 1.00 0.00 O ATOM 310 CG2 THR A 18 5.155 18.458 0.683 1.00 0.00 C ATOM 0 H THR A 18 2.321 15.551 0.516 1.00 0.00 H new ATOM 0 HA THR A 18 3.496 17.237 2.601 1.00 0.00 H new ATOM 0 HB THR A 18 3.881 17.152 -0.424 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.871 16.020 0.207 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.971 18.405 -0.038 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.537 19.330 0.468 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.565 18.544 1.689 1.00 0.00 H new ATOM 318 N ARG A 19 2.178 19.324 2.282 1.00 0.00 N ATOM 319 CA ARG A 19 1.391 20.552 2.157 1.00 0.00 C ATOM 320 C ARG A 19 2.115 21.560 1.241 1.00 0.00 C ATOM 321 O ARG A 19 3.344 21.545 1.138 1.00 0.00 O ATOM 322 CB ARG A 19 1.101 21.125 3.564 1.00 0.00 C ATOM 323 CG ARG A 19 0.174 22.364 3.602 1.00 0.00 C ATOM 324 CD ARG A 19 -0.445 22.597 4.991 1.00 0.00 C ATOM 325 NE ARG A 19 0.560 22.696 6.070 1.00 0.00 N ATOM 326 CZ ARG A 19 0.304 22.547 7.378 1.00 0.00 C ATOM 327 NH1 ARG A 19 -0.928 22.308 7.824 1.00 0.00 N ATOM 328 NH2 ARG A 19 1.293 22.644 8.244 1.00 0.00 N ATOM 0 H ARG A 19 2.698 19.253 3.157 1.00 0.00 H new ATOM 0 HA ARG A 19 0.432 20.335 1.687 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.653 20.339 4.172 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.049 21.388 4.032 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.742 23.247 3.308 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.623 22.239 2.869 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.036 23.513 4.969 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.131 21.781 5.217 1.00 0.00 H new ATOM 0 HE ARG A 19 1.523 22.893 5.799 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.703 22.234 7.165 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.096 22.199 8.824 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.241 22.831 7.917 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.110 22.533 9.241 1.00 0.00 H new ATOM 342 N ASP A 20 1.337 22.427 0.576 1.00 0.00 N ATOM 343 CA ASP A 20 1.865 23.407 -0.394 1.00 0.00 C ATOM 344 C ASP A 20 1.977 24.783 0.284 1.00 0.00 C ATOM 345 O ASP A 20 1.382 25.005 1.345 1.00 0.00 O ATOM 346 CB ASP A 20 0.943 23.469 -1.645 1.00 0.00 C ATOM 347 CG ASP A 20 1.461 24.411 -2.745 1.00 0.00 C ATOM 348 OD1 ASP A 20 2.405 24.035 -3.467 1.00 0.00 O ATOM 349 OD2 ASP A 20 0.959 25.548 -2.852 1.00 0.00 O ATOM 0 H ASP A 20 0.325 22.471 0.693 1.00 0.00 H new ATOM 0 HA ASP A 20 2.857 23.101 -0.726 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.837 22.466 -2.058 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.051 23.794 -1.338 1.00 0.00 H new ATOM 354 N ILE A 21 2.738 25.702 -0.341 1.00 0.00 N ATOM 355 CA ILE A 21 2.909 27.098 0.116 1.00 0.00 C ATOM 356 C ILE A 21 1.572 27.901 0.143 1.00 0.00 C ATOM 357 O ILE A 21 1.514 28.982 0.725 1.00 0.00 O ATOM 358 CB ILE A 21 3.991 27.820 -0.788 1.00 0.00 C ATOM 359 CG1 ILE A 21 4.449 29.190 -0.172 1.00 0.00 C ATOM 360 CG2 ILE A 21 3.479 27.987 -2.246 1.00 0.00 C ATOM 361 CD1 ILE A 21 5.673 29.814 -0.825 1.00 0.00 C ATOM 0 H ILE A 21 3.261 25.493 -1.192 1.00 0.00 H new ATOM 0 HA ILE A 21 3.256 27.066 1.149 1.00 0.00 H new ATOM 0 HB ILE A 21 4.872 27.179 -0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.621 29.896 -0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.657 29.043 0.888 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.241 28.485 -2.845 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.267 27.006 -2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.569 28.587 -2.246 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.909 30.756 -0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.520 29.134 -0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.468 30.000 -1.879 1.00 0.00 H new ATOM 373 N THR A 22 0.477 27.348 -0.432 1.00 0.00 N ATOM 374 CA THR A 22 -0.866 27.984 -0.405 1.00 0.00 C ATOM 375 C THR A 22 -1.879 27.030 0.295 1.00 0.00 C ATOM 376 O THR A 22 -3.035 27.394 0.537 1.00 0.00 O ATOM 377 CB THR A 22 -1.360 28.401 -1.838 1.00 0.00 C ATOM 378 OG1 THR A 22 -1.405 27.274 -2.707 1.00 0.00 O ATOM 379 CG2 THR A 22 -0.459 29.476 -2.474 1.00 0.00 C ATOM 0 H THR A 22 0.497 26.455 -0.925 1.00 0.00 H new ATOM 0 HA THR A 22 -0.793 28.908 0.168 1.00 0.00 H new ATOM 0 HB THR A 22 -2.360 28.815 -1.709 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.057 26.626 -2.368 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.840 29.732 -3.463 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.455 30.366 -1.845 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.557 29.092 -2.565 1.00 0.00 H new ATOM 387 N GLY A 23 -1.410 25.793 0.611 1.00 0.00 N ATOM 388 CA GLY A 23 -2.096 24.881 1.533 1.00 0.00 C ATOM 389 C GLY A 23 -2.914 23.789 0.874 1.00 0.00 C ATOM 390 O GLY A 23 -4.071 23.566 1.245 1.00 0.00 O ATOM 0 H GLY A 23 -0.545 25.411 0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.351 24.415 2.178 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.753 25.467 2.176 1.00 0.00 H new ATOM 394 N GLU A 24 -2.329 23.098 -0.102 1.00 0.00 N ATOM 395 CA GLU A 24 -2.906 21.881 -0.692 1.00 0.00 C ATOM 396 C GLU A 24 -2.116 20.667 -0.189 1.00 0.00 C ATOM 397 O GLU A 24 -0.917 20.771 0.049 1.00 0.00 O ATOM 398 CB GLU A 24 -2.832 21.939 -2.243 1.00 0.00 C ATOM 399 CG GLU A 24 -3.888 22.824 -2.939 1.00 0.00 C ATOM 400 CD GLU A 24 -3.991 24.256 -2.400 1.00 0.00 C ATOM 401 OE1 GLU A 24 -2.978 24.980 -2.428 1.00 0.00 O ATOM 402 OE2 GLU A 24 -5.071 24.653 -1.907 1.00 0.00 O ATOM 0 H GLU A 24 -1.434 23.365 -0.512 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.952 21.801 -0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.843 22.298 -2.526 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.926 20.924 -2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.658 22.868 -4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.862 22.345 -2.843 1.00 0.00 H new ATOM 409 N ILE A 25 -2.792 19.525 -0.043 1.00 0.00 N ATOM 410 CA ILE A 25 -2.165 18.264 0.381 1.00 0.00 C ATOM 411 C ILE A 25 -1.853 17.406 -0.868 1.00 0.00 C ATOM 412 O ILE A 25 -2.747 16.795 -1.462 1.00 0.00 O ATOM 413 CB ILE A 25 -3.087 17.482 1.395 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.379 18.355 2.663 1.00 0.00 C ATOM 415 CG2 ILE A 25 -2.471 16.115 1.791 1.00 0.00 C ATOM 416 CD1 ILE A 25 -2.149 18.759 3.469 1.00 0.00 C ATOM 0 H ILE A 25 -3.794 19.445 -0.216 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.234 18.486 0.902 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.033 17.278 0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.902 19.259 2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.057 17.805 3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.134 15.606 2.490 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.344 15.501 0.899 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.501 16.276 2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.456 19.360 4.325 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.634 17.865 3.820 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.477 19.341 2.839 1.00 0.00 H new ATOM 428 N LEU A 26 -0.581 17.424 -1.287 1.00 0.00 N ATOM 429 CA LEU A 26 -0.079 16.639 -2.419 1.00 0.00 C ATOM 430 C LEU A 26 0.347 15.253 -1.906 1.00 0.00 C ATOM 431 O LEU A 26 1.413 15.101 -1.294 1.00 0.00 O ATOM 432 CB LEU A 26 1.119 17.355 -3.131 1.00 0.00 C ATOM 433 CG LEU A 26 0.849 18.775 -3.740 1.00 0.00 C ATOM 434 CD1 LEU A 26 -0.458 18.804 -4.559 1.00 0.00 C ATOM 435 CD2 LEU A 26 0.887 19.889 -2.669 1.00 0.00 C ATOM 0 H LEU A 26 0.138 17.994 -0.841 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.873 16.535 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.933 17.446 -2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.472 16.706 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 26 1.666 18.983 -4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.611 19.804 -4.965 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.391 18.087 -5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.297 18.542 -3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.694 20.853 -3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.124 19.695 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.869 19.906 -2.196 1.00 0.00 H new ATOM 447 N GLU A 27 -0.520 14.258 -2.130 1.00 0.00 N ATOM 448 CA GLU A 27 -0.300 12.878 -1.687 1.00 0.00 C ATOM 449 C GLU A 27 0.544 12.117 -2.721 1.00 0.00 C ATOM 450 O GLU A 27 0.141 11.962 -3.877 1.00 0.00 O ATOM 451 CB GLU A 27 -1.655 12.171 -1.452 1.00 0.00 C ATOM 452 CG GLU A 27 -2.515 12.842 -0.372 1.00 0.00 C ATOM 453 CD GLU A 27 -3.873 12.150 -0.155 1.00 0.00 C ATOM 454 OE1 GLU A 27 -4.781 12.321 -0.998 1.00 0.00 O ATOM 455 OE2 GLU A 27 -4.040 11.438 0.851 1.00 0.00 O ATOM 0 H GLU A 27 -1.400 14.390 -2.628 1.00 0.00 H new ATOM 0 HA GLU A 27 0.246 12.891 -0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.212 12.150 -2.388 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.471 11.135 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.964 12.848 0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.686 13.882 -0.648 1.00 0.00 H new ATOM 462 N THR A 28 1.714 11.658 -2.278 1.00 0.00 N ATOM 463 CA THR A 28 2.675 10.881 -3.084 1.00 0.00 C ATOM 464 C THR A 28 3.167 9.700 -2.243 1.00 0.00 C ATOM 465 O THR A 28 2.844 9.603 -1.064 1.00 0.00 O ATOM 466 CB THR A 28 3.903 11.750 -3.533 1.00 0.00 C ATOM 467 OG1 THR A 28 4.491 12.388 -2.385 1.00 0.00 O ATOM 468 CG2 THR A 28 3.527 12.815 -4.586 1.00 0.00 C ATOM 0 H THR A 28 2.035 11.817 -1.323 1.00 0.00 H new ATOM 0 HA THR A 28 2.171 10.537 -3.987 1.00 0.00 H new ATOM 0 HB THR A 28 4.621 11.076 -4.000 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.258 12.928 -2.668 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.415 13.386 -4.859 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.124 12.324 -5.472 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.776 13.488 -4.171 1.00 0.00 H new ATOM 476 N TRP A 29 3.966 8.813 -2.832 1.00 0.00 N ATOM 477 CA TRP A 29 4.474 7.622 -2.135 1.00 0.00 C ATOM 478 C TRP A 29 6.000 7.698 -2.060 1.00 0.00 C ATOM 479 O TRP A 29 6.683 7.557 -3.083 1.00 0.00 O ATOM 480 CB TRP A 29 4.005 6.338 -2.859 1.00 0.00 C ATOM 481 CG TRP A 29 2.499 6.219 -2.945 1.00 0.00 C ATOM 482 CD1 TRP A 29 1.699 6.603 -3.980 1.00 0.00 C ATOM 483 CD2 TRP A 29 1.620 5.713 -1.935 1.00 0.00 C ATOM 484 NE1 TRP A 29 0.389 6.339 -3.688 1.00 0.00 N ATOM 485 CE2 TRP A 29 0.310 5.795 -2.441 1.00 0.00 C ATOM 486 CE3 TRP A 29 1.819 5.188 -0.662 1.00 0.00 C ATOM 487 CZ2 TRP A 29 -0.800 5.378 -1.711 1.00 0.00 C ATOM 488 CZ3 TRP A 29 0.721 4.772 0.060 1.00 0.00 C ATOM 489 CH2 TRP A 29 -0.577 4.866 -0.463 1.00 0.00 C ATOM 0 H TRP A 29 4.281 8.894 -3.799 1.00 0.00 H new ATOM 0 HA TRP A 29 4.078 7.588 -1.120 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.422 6.323 -3.866 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.403 5.468 -2.336 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.049 7.051 -4.898 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.403 6.520 -4.305 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.813 5.108 -0.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.799 5.456 -2.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.863 4.365 1.050 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.414 4.528 0.130 1.00 0.00 H new ATOM 500 N GLU A 30 6.518 7.959 -0.846 1.00 0.00 N ATOM 501 CA GLU A 30 7.965 7.984 -0.590 1.00 0.00 C ATOM 502 C GLU A 30 8.399 6.602 -0.090 1.00 0.00 C ATOM 503 O GLU A 30 7.633 5.906 0.595 1.00 0.00 O ATOM 504 CB GLU A 30 8.386 9.099 0.416 1.00 0.00 C ATOM 505 CG GLU A 30 7.864 8.937 1.855 1.00 0.00 C ATOM 506 CD GLU A 30 8.597 9.830 2.873 1.00 0.00 C ATOM 507 OE1 GLU A 30 9.624 9.389 3.437 1.00 0.00 O ATOM 508 OE2 GLU A 30 8.175 10.983 3.095 1.00 0.00 O ATOM 0 H GLU A 30 5.949 8.157 -0.023 1.00 0.00 H new ATOM 0 HA GLU A 30 8.471 8.223 -1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.475 9.141 0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.041 10.058 0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.800 9.171 1.877 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.967 7.895 2.156 1.00 0.00 H new ATOM 515 N ASP A 31 9.624 6.221 -0.459 1.00 0.00 N ATOM 516 CA ASP A 31 10.235 4.946 -0.070 1.00 0.00 C ATOM 517 C ASP A 31 10.561 4.958 1.438 1.00 0.00 C ATOM 518 O ASP A 31 10.970 5.984 1.990 1.00 0.00 O ATOM 519 CB ASP A 31 11.518 4.685 -0.910 1.00 0.00 C ATOM 520 CG ASP A 31 12.587 5.784 -0.755 1.00 0.00 C ATOM 521 OD1 ASP A 31 12.419 6.875 -1.348 1.00 0.00 O ATOM 522 OD2 ASP A 31 13.584 5.575 -0.028 1.00 0.00 O ATOM 0 H ASP A 31 10.229 6.797 -1.045 1.00 0.00 H new ATOM 0 HA ASP A 31 9.530 4.138 -0.266 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.947 3.727 -0.615 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.244 4.601 -1.962 1.00 0.00 H new ATOM 527 N GLY A 32 10.352 3.818 2.094 1.00 0.00 N ATOM 528 CA GLY A 32 10.592 3.661 3.524 1.00 0.00 C ATOM 529 C GLY A 32 11.858 2.871 3.758 1.00 0.00 C ATOM 530 O GLY A 32 12.962 3.384 3.544 1.00 0.00 O ATOM 0 H GLY A 32 10.008 2.971 1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 32 10.674 4.640 3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.747 3.153 3.988 1.00 0.00 H new ATOM 534 N HIS A 33 11.698 1.610 4.193 1.00 0.00 N ATOM 535 CA HIS A 33 12.829 0.686 4.416 1.00 0.00 C ATOM 536 C HIS A 33 12.563 -0.611 3.662 1.00 0.00 C ATOM 537 O HIS A 33 11.406 -1.013 3.500 1.00 0.00 O ATOM 538 CB HIS A 33 13.031 0.400 5.928 1.00 0.00 C ATOM 539 CG HIS A 33 14.232 -0.465 6.248 1.00 0.00 C ATOM 540 ND1 HIS A 33 14.338 -1.773 6.598 1.00 0.00 N flip ATOM 541 CD2 HIS A 33 15.521 0.001 6.163 1.00 0.00 C flip ATOM 542 CE1 HIS A 33 15.679 -2.058 6.702 1.00 0.00 C flip ATOM 543 NE2 HIS A 33 16.366 -0.967 6.436 1.00 0.00 N flip ATOM 0 H HIS A 33 10.787 1.201 4.400 1.00 0.00 H new ATOM 0 HA HIS A 33 13.743 1.149 4.045 1.00 0.00 H new ATOM 0 HB2 HIS A 33 13.132 1.349 6.454 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.136 -0.086 6.316 1.00 0.00 H new ATOM 0 HD2 HIS A 33 15.799 1.013 5.909 1.00 0.00 H new ATOM 0 HE1 HIS A 33 16.100 -3.019 6.960 1.00 0.00 H new ATOM 0 HE2 HIS A 33 17.383 -0.887 6.441 1.00 0.00 H new ATOM 552 N THR A 34 13.640 -1.263 3.206 1.00 0.00 N ATOM 553 CA THR A 34 13.561 -2.529 2.490 1.00 0.00 C ATOM 554 C THR A 34 13.949 -3.679 3.437 1.00 0.00 C ATOM 555 O THR A 34 15.137 -3.914 3.684 1.00 0.00 O ATOM 556 CB THR A 34 14.470 -2.490 1.222 1.00 0.00 C ATOM 557 OG1 THR A 34 14.200 -1.286 0.487 1.00 0.00 O ATOM 558 CG2 THR A 34 14.219 -3.694 0.307 1.00 0.00 C ATOM 0 H THR A 34 14.593 -0.920 3.327 1.00 0.00 H new ATOM 0 HA THR A 34 12.539 -2.698 2.152 1.00 0.00 H new ATOM 0 HB THR A 34 15.509 -2.521 1.551 1.00 0.00 H new ATOM 0 HG1 THR A 34 14.769 -1.255 -0.310 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.871 -3.631 -0.565 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.429 -4.615 0.851 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.178 -3.694 -0.017 1.00 0.00 H new ATOM 566 N LEU A 35 12.931 -4.350 4.023 1.00 0.00 N ATOM 567 CA LEU A 35 13.135 -5.407 5.052 1.00 0.00 C ATOM 568 C LEU A 35 12.718 -6.793 4.541 1.00 0.00 C ATOM 569 O LEU A 35 12.158 -6.927 3.449 1.00 0.00 O ATOM 570 CB LEU A 35 12.365 -5.088 6.378 1.00 0.00 C ATOM 571 CG LEU A 35 10.805 -4.892 6.291 1.00 0.00 C ATOM 572 CD1 LEU A 35 10.124 -5.173 7.653 1.00 0.00 C ATOM 573 CD2 LEU A 35 10.432 -3.471 5.798 1.00 0.00 C ATOM 0 H LEU A 35 11.950 -4.179 3.801 1.00 0.00 H new ATOM 0 HA LEU A 35 14.204 -5.419 5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.562 -5.896 7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.793 -4.181 6.804 1.00 0.00 H new ATOM 0 HG LEU A 35 10.438 -5.614 5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.048 -5.029 7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.327 -6.200 7.956 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.517 -4.488 8.404 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.347 -3.375 5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.832 -2.729 6.489 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.854 -3.308 4.806 1.00 0.00 H new ATOM 585 N TRP A 36 13.035 -7.814 5.361 1.00 0.00 N ATOM 586 CA TRP A 36 12.657 -9.211 5.122 1.00 0.00 C ATOM 587 C TRP A 36 11.125 -9.401 5.116 1.00 0.00 C ATOM 588 O TRP A 36 10.429 -9.038 6.081 1.00 0.00 O ATOM 589 CB TRP A 36 13.307 -10.127 6.191 1.00 0.00 C ATOM 590 CG TRP A 36 14.825 -10.051 6.232 1.00 0.00 C ATOM 591 CD1 TRP A 36 15.612 -9.736 7.307 1.00 0.00 C ATOM 592 CD2 TRP A 36 15.731 -10.291 5.139 1.00 0.00 C ATOM 593 NE1 TRP A 36 16.936 -9.788 6.955 1.00 0.00 N ATOM 594 CE2 TRP A 36 17.037 -10.118 5.631 1.00 0.00 C ATOM 595 CE3 TRP A 36 15.561 -10.637 3.795 1.00 0.00 C ATOM 596 CZ2 TRP A 36 18.166 -10.271 4.827 1.00 0.00 C ATOM 597 CZ3 TRP A 36 16.675 -10.792 3.002 1.00 0.00 C ATOM 598 CH2 TRP A 36 17.966 -10.612 3.515 1.00 0.00 C ATOM 0 H TRP A 36 13.569 -7.684 6.220 1.00 0.00 H new ATOM 0 HA TRP A 36 13.024 -9.489 4.134 1.00 0.00 H new ATOM 0 HB2 TRP A 36 12.914 -9.859 7.172 1.00 0.00 H new ATOM 0 HB3 TRP A 36 13.010 -11.158 6.000 1.00 0.00 H new ATOM 0 HD1 TRP A 36 15.243 -9.483 8.290 1.00 0.00 H new ATOM 0 HE1 TRP A 36 17.721 -9.609 7.581 1.00 0.00 H new ATOM 0 HE3 TRP A 36 14.572 -10.780 3.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 19.160 -10.126 5.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 16.551 -11.058 1.963 1.00 0.00 H new ATOM 0 HH2 TRP A 36 18.818 -10.744 2.865 1.00 0.00 H new ATOM 609 N ALA A 37 10.629 -9.955 4.003 1.00 0.00 N ATOM 610 CA ALA A 37 9.224 -10.344 3.832 1.00 0.00 C ATOM 611 C ALA A 37 9.100 -11.719 3.186 1.00 0.00 C ATOM 612 O ALA A 37 10.086 -12.314 2.799 1.00 0.00 O ATOM 613 CB ALA A 37 8.471 -9.316 2.994 1.00 0.00 C ATOM 0 H ALA A 37 11.203 -10.149 3.182 1.00 0.00 H new ATOM 0 HA ALA A 37 8.780 -10.387 4.827 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.433 -9.628 2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.507 -8.346 3.489 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.934 -9.239 2.010 1.00 0.00 H new ATOM 619 N SER A 38 7.874 -12.239 3.135 1.00 0.00 N ATOM 620 CA SER A 38 7.515 -13.401 2.336 1.00 0.00 C ATOM 621 C SER A 38 6.269 -13.020 1.531 1.00 0.00 C ATOM 622 O SER A 38 5.154 -12.989 2.065 1.00 0.00 O ATOM 623 CB SER A 38 7.247 -14.595 3.267 1.00 0.00 C ATOM 624 OG SER A 38 7.029 -15.782 2.538 1.00 0.00 O ATOM 0 H SER A 38 7.089 -11.853 3.660 1.00 0.00 H new ATOM 0 HA SER A 38 8.316 -13.693 1.657 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.094 -14.730 3.939 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.377 -14.384 3.889 1.00 0.00 H new ATOM 0 HG SER A 38 6.863 -16.522 3.159 1.00 0.00 H new ATOM 630 N VAL A 39 6.482 -12.660 0.264 1.00 0.00 N ATOM 631 CA VAL A 39 5.427 -12.147 -0.613 1.00 0.00 C ATOM 632 C VAL A 39 4.740 -13.322 -1.329 1.00 0.00 C ATOM 633 O VAL A 39 5.202 -13.800 -2.372 1.00 0.00 O ATOM 634 CB VAL A 39 6.025 -11.137 -1.657 1.00 0.00 C ATOM 635 CG1 VAL A 39 4.909 -10.440 -2.461 1.00 0.00 C ATOM 636 CG2 VAL A 39 6.955 -10.111 -0.968 1.00 0.00 C ATOM 0 H VAL A 39 7.396 -12.716 -0.185 1.00 0.00 H new ATOM 0 HA VAL A 39 4.689 -11.615 -0.013 1.00 0.00 H new ATOM 0 HB VAL A 39 6.630 -11.705 -2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.354 -9.747 -3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.325 -11.188 -2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.258 -9.891 -1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.355 -9.424 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.390 -9.550 -0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.777 -10.635 -0.480 1.00 0.00 H new ATOM 646 N ASN A 40 3.663 -13.814 -0.721 1.00 0.00 N ATOM 647 CA ASN A 40 2.906 -14.966 -1.214 1.00 0.00 C ATOM 648 C ASN A 40 1.699 -14.494 -2.046 1.00 0.00 C ATOM 649 O ASN A 40 0.716 -13.975 -1.498 1.00 0.00 O ATOM 650 CB ASN A 40 2.452 -15.830 -0.011 1.00 0.00 C ATOM 651 CG ASN A 40 3.626 -16.453 0.752 1.00 0.00 C ATOM 652 OD1 ASN A 40 4.044 -17.571 0.464 1.00 0.00 O ATOM 653 ND2 ASN A 40 4.173 -15.727 1.720 1.00 0.00 N ATOM 0 H ASN A 40 3.285 -13.419 0.140 1.00 0.00 H new ATOM 0 HA ASN A 40 3.539 -15.572 -1.862 1.00 0.00 H new ATOM 0 HB2 ASN A 40 1.867 -15.214 0.672 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.795 -16.623 -0.367 1.00 0.00 H new ATOM 0 HD21 ASN A 40 4.964 -16.095 2.249 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.802 -14.801 1.935 1.00 0.00 H new ATOM 660 N MET A 41 1.806 -14.652 -3.377 1.00 0.00 N ATOM 661 CA MET A 41 0.716 -14.346 -4.327 1.00 0.00 C ATOM 662 C MET A 41 -0.380 -15.417 -4.167 1.00 0.00 C ATOM 663 O MET A 41 -0.090 -16.613 -4.332 1.00 0.00 O ATOM 664 CB MET A 41 1.265 -14.334 -5.785 1.00 0.00 C ATOM 665 CG MET A 41 0.426 -13.548 -6.808 1.00 0.00 C ATOM 666 SD MET A 41 -1.277 -14.125 -6.960 1.00 0.00 S ATOM 667 CE MET A 41 -1.879 -13.058 -8.266 1.00 0.00 C ATOM 0 H MET A 41 2.653 -14.997 -3.828 1.00 0.00 H new ATOM 0 HA MET A 41 0.299 -13.361 -4.119 1.00 0.00 H new ATOM 0 HB2 MET A 41 2.272 -13.916 -5.771 1.00 0.00 H new ATOM 0 HB3 MET A 41 1.352 -15.365 -6.129 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.418 -12.496 -6.524 1.00 0.00 H new ATOM 0 HG3 MET A 41 0.909 -13.611 -7.783 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.841 -13.427 -8.623 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.999 -12.045 -7.882 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.165 -13.052 -9.089 1.00 0.00 H new ATOM 677 N VAL A 42 -1.619 -14.994 -3.843 1.00 0.00 N ATOM 678 CA VAL A 42 -2.699 -15.923 -3.447 1.00 0.00 C ATOM 679 C VAL A 42 -3.134 -16.817 -4.636 1.00 0.00 C ATOM 680 O VAL A 42 -3.283 -16.343 -5.772 1.00 0.00 O ATOM 681 CB VAL A 42 -3.948 -15.175 -2.829 1.00 0.00 C ATOM 682 CG1 VAL A 42 -3.519 -14.175 -1.725 1.00 0.00 C ATOM 683 CG2 VAL A 42 -4.817 -14.493 -3.913 1.00 0.00 C ATOM 0 H VAL A 42 -1.898 -14.013 -3.848 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.286 -16.560 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.574 -15.934 -2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.401 -13.678 -1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.008 -14.712 -0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.846 -13.430 -2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.662 -13.993 -3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.217 -13.760 -4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.185 -15.245 -4.611 1.00 0.00 H new ATOM 693 N SER A 43 -3.299 -18.113 -4.359 1.00 0.00 N ATOM 694 CA SER A 43 -3.689 -19.114 -5.364 1.00 0.00 C ATOM 695 C SER A 43 -5.224 -19.284 -5.423 1.00 0.00 C ATOM 696 O SER A 43 -5.963 -18.565 -4.733 1.00 0.00 O ATOM 697 CB SER A 43 -2.970 -20.438 -5.024 1.00 0.00 C ATOM 698 OG SER A 43 -1.553 -20.270 -5.027 1.00 0.00 O ATOM 0 H SER A 43 -3.166 -18.503 -3.426 1.00 0.00 H new ATOM 0 HA SER A 43 -3.387 -18.784 -6.358 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.295 -20.791 -4.045 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.250 -21.203 -5.748 1.00 0.00 H new ATOM 0 HG SER A 43 -1.122 -21.122 -4.807 1.00 0.00 H new ATOM 704 N SER A 44 -5.687 -20.227 -6.272 1.00 0.00 N ATOM 705 CA SER A 44 -7.121 -20.523 -6.457 1.00 0.00 C ATOM 706 C SER A 44 -7.760 -21.016 -5.153 1.00 0.00 C ATOM 707 O SER A 44 -8.863 -20.603 -4.804 1.00 0.00 O ATOM 708 CB SER A 44 -7.311 -21.556 -7.588 1.00 0.00 C ATOM 709 OG SER A 44 -6.604 -22.756 -7.326 1.00 0.00 O ATOM 0 H SER A 44 -5.075 -20.804 -6.848 1.00 0.00 H new ATOM 0 HA SER A 44 -7.626 -19.600 -6.741 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.372 -21.777 -7.705 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.968 -21.130 -8.531 1.00 0.00 H new ATOM 0 HG SER A 44 -6.748 -23.388 -8.061 1.00 0.00 H new ATOM 715 N LYS A 45 -7.010 -21.875 -4.435 1.00 0.00 N ATOM 716 CA LYS A 45 -7.398 -22.409 -3.114 1.00 0.00 C ATOM 717 C LYS A 45 -7.716 -21.261 -2.134 1.00 0.00 C ATOM 718 O LYS A 45 -8.726 -21.313 -1.435 1.00 0.00 O ATOM 719 CB LYS A 45 -6.265 -23.318 -2.550 1.00 0.00 C ATOM 720 CG LYS A 45 -6.443 -23.802 -1.089 1.00 0.00 C ATOM 721 CD LYS A 45 -7.672 -24.717 -0.893 1.00 0.00 C ATOM 722 CE LYS A 45 -7.843 -25.158 0.572 1.00 0.00 C ATOM 723 NZ LYS A 45 -6.668 -25.924 1.076 1.00 0.00 N ATOM 0 H LYS A 45 -6.107 -22.222 -4.760 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.300 -23.010 -3.232 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.176 -24.194 -3.193 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.323 -22.774 -2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.546 -24.339 -0.780 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.537 -22.935 -0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.569 -24.191 -1.219 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.571 -25.598 -1.526 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.995 -24.279 1.198 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.739 -25.772 0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.885 -26.314 2.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.453 -26.702 0.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.845 -25.292 1.145 1.00 0.00 H new ATOM 737 N GLU A 46 -6.865 -20.216 -2.140 1.00 0.00 N ATOM 738 CA GLU A 46 -7.033 -19.033 -1.273 1.00 0.00 C ATOM 739 C GLU A 46 -8.374 -18.329 -1.550 1.00 0.00 C ATOM 740 O GLU A 46 -9.150 -18.090 -0.615 1.00 0.00 O ATOM 741 CB GLU A 46 -5.857 -18.046 -1.462 1.00 0.00 C ATOM 742 CG GLU A 46 -4.480 -18.598 -1.045 1.00 0.00 C ATOM 743 CD GLU A 46 -4.393 -19.011 0.439 1.00 0.00 C ATOM 744 OE1 GLU A 46 -4.243 -18.132 1.308 1.00 0.00 O ATOM 745 OE2 GLU A 46 -4.467 -20.225 0.744 1.00 0.00 O ATOM 0 H GLU A 46 -6.044 -20.168 -2.744 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.037 -19.375 -0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.813 -17.751 -2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.061 -17.144 -0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.243 -19.462 -1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.721 -17.842 -1.246 1.00 0.00 H new ATOM 752 N ALA A 47 -8.627 -18.017 -2.843 1.00 0.00 N ATOM 753 CA ALA A 47 -9.907 -17.438 -3.317 1.00 0.00 C ATOM 754 C ALA A 47 -11.141 -18.252 -2.851 1.00 0.00 C ATOM 755 O ALA A 47 -12.023 -17.717 -2.181 1.00 0.00 O ATOM 756 CB ALA A 47 -9.875 -17.320 -4.854 1.00 0.00 C ATOM 0 H ALA A 47 -7.947 -18.160 -3.589 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.011 -16.448 -2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.815 -16.895 -5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.050 -16.673 -5.152 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.738 -18.309 -5.292 1.00 0.00 H new ATOM 762 N ILE A 48 -11.138 -19.555 -3.171 1.00 0.00 N ATOM 763 CA ILE A 48 -12.259 -20.484 -2.882 1.00 0.00 C ATOM 764 C ILE A 48 -12.556 -20.562 -1.360 1.00 0.00 C ATOM 765 O ILE A 48 -13.719 -20.484 -0.944 1.00 0.00 O ATOM 766 CB ILE A 48 -11.953 -21.925 -3.460 1.00 0.00 C ATOM 767 CG1 ILE A 48 -11.747 -21.864 -5.011 1.00 0.00 C ATOM 768 CG2 ILE A 48 -13.067 -22.947 -3.097 1.00 0.00 C ATOM 769 CD1 ILE A 48 -11.223 -23.150 -5.641 1.00 0.00 C ATOM 0 H ILE A 48 -10.353 -20.005 -3.642 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.148 -20.091 -3.375 1.00 0.00 H new ATOM 0 HB ILE A 48 -11.030 -22.272 -2.995 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -12.698 -21.609 -5.479 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -11.052 -21.056 -5.239 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -12.816 -23.922 -3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -13.149 -23.026 -2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -14.018 -22.610 -3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -11.113 -23.010 -6.716 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.255 -23.400 -5.207 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -11.926 -23.961 -5.451 1.00 0.00 H new ATOM 781 N SER A 49 -11.487 -20.662 -0.548 1.00 0.00 N ATOM 782 CA SER A 49 -11.589 -20.792 0.923 1.00 0.00 C ATOM 783 C SER A 49 -12.170 -19.524 1.580 1.00 0.00 C ATOM 784 O SER A 49 -13.003 -19.610 2.491 1.00 0.00 O ATOM 785 CB SER A 49 -10.200 -21.099 1.521 1.00 0.00 C ATOM 786 OG SER A 49 -9.678 -22.315 1.005 1.00 0.00 O ATOM 0 H SER A 49 -10.526 -20.655 -0.891 1.00 0.00 H new ATOM 0 HA SER A 49 -12.274 -21.614 1.131 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.515 -20.281 1.296 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.274 -21.163 2.607 1.00 0.00 H new ATOM 0 HG SER A 49 -9.289 -22.155 0.120 1.00 0.00 H new ATOM 792 N SER A 50 -11.734 -18.357 1.091 1.00 0.00 N ATOM 793 CA SER A 50 -12.168 -17.048 1.620 1.00 0.00 C ATOM 794 C SER A 50 -13.459 -16.554 0.935 1.00 0.00 C ATOM 795 O SER A 50 -13.995 -15.505 1.305 1.00 0.00 O ATOM 796 CB SER A 50 -11.039 -16.022 1.422 1.00 0.00 C ATOM 797 OG SER A 50 -10.772 -15.822 0.045 1.00 0.00 O ATOM 0 H SER A 50 -11.071 -18.288 0.319 1.00 0.00 H new ATOM 0 HA SER A 50 -12.386 -17.163 2.682 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.318 -15.075 1.884 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.136 -16.368 1.925 1.00 0.00 H new ATOM 0 HG SER A 50 -10.212 -16.554 -0.289 1.00 0.00 H new ATOM 803 N GLY A 51 -13.923 -17.302 -0.084 1.00 0.00 N ATOM 804 CA GLY A 51 -15.095 -16.932 -0.880 1.00 0.00 C ATOM 805 C GLY A 51 -14.684 -16.140 -2.112 1.00 0.00 C ATOM 806 O GLY A 51 -14.712 -16.659 -3.229 1.00 0.00 O ATOM 0 H GLY A 51 -13.491 -18.179 -0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.633 -17.830 -1.183 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.780 -16.340 -0.273 1.00 0.00 H new ATOM 810 N ALA A 52 -14.262 -14.881 -1.884 1.00 0.00 N ATOM 811 CA ALA A 52 -13.745 -13.979 -2.940 1.00 0.00 C ATOM 812 C ALA A 52 -12.823 -12.894 -2.336 1.00 0.00 C ATOM 813 O ALA A 52 -12.445 -11.935 -3.021 1.00 0.00 O ATOM 814 CB ALA A 52 -14.925 -13.346 -3.708 1.00 0.00 C ATOM 0 H ALA A 52 -14.269 -14.456 -0.957 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.147 -14.561 -3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.541 -12.683 -4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.524 -14.132 -4.167 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.544 -12.774 -3.017 1.00 0.00 H new ATOM 820 N GLU A 53 -12.443 -13.060 -1.050 1.00 0.00 N ATOM 821 CA GLU A 53 -11.649 -12.055 -0.305 1.00 0.00 C ATOM 822 C GLU A 53 -10.149 -12.162 -0.659 1.00 0.00 C ATOM 823 O GLU A 53 -9.401 -11.184 -0.574 1.00 0.00 O ATOM 824 CB GLU A 53 -11.887 -12.228 1.219 1.00 0.00 C ATOM 825 CG GLU A 53 -11.272 -11.122 2.097 1.00 0.00 C ATOM 826 CD GLU A 53 -11.554 -11.319 3.590 1.00 0.00 C ATOM 827 OE1 GLU A 53 -12.651 -10.936 4.061 1.00 0.00 O ATOM 828 OE2 GLU A 53 -10.698 -11.880 4.296 1.00 0.00 O ATOM 0 H GLU A 53 -12.675 -13.888 -0.501 1.00 0.00 H new ATOM 0 HA GLU A 53 -11.976 -11.057 -0.595 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -12.961 -12.264 1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.478 -13.189 1.530 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.194 -11.095 1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.665 -10.155 1.783 1.00 0.00 H new ATOM 835 N LEU A 54 -9.726 -13.370 -1.054 1.00 0.00 N ATOM 836 CA LEU A 54 -8.369 -13.646 -1.565 1.00 0.00 C ATOM 837 C LEU A 54 -8.483 -14.072 -3.036 1.00 0.00 C ATOM 838 O LEU A 54 -7.843 -15.032 -3.476 1.00 0.00 O ATOM 839 CB LEU A 54 -7.688 -14.752 -0.709 1.00 0.00 C ATOM 840 CG LEU A 54 -7.503 -14.448 0.812 1.00 0.00 C ATOM 841 CD1 LEU A 54 -6.955 -15.690 1.560 1.00 0.00 C ATOM 842 CD2 LEU A 54 -6.610 -13.200 1.036 1.00 0.00 C ATOM 0 H LEU A 54 -10.322 -14.197 -1.029 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.749 -12.752 -1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.275 -15.666 -0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.707 -14.957 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.483 -14.217 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.834 -15.454 2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.655 -16.519 1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.990 -15.972 1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.502 -13.017 2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.628 -13.372 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.072 -12.333 0.564 1.00 0.00 H new ATOM 854 N ALA A 55 -9.311 -13.323 -3.789 1.00 0.00 N ATOM 855 CA ALA A 55 -9.569 -13.567 -5.209 1.00 0.00 C ATOM 856 C ALA A 55 -8.289 -13.278 -5.975 1.00 0.00 C ATOM 857 O ALA A 55 -7.682 -12.224 -5.745 1.00 0.00 O ATOM 858 CB ALA A 55 -10.720 -12.690 -5.710 1.00 0.00 C ATOM 0 H ALA A 55 -9.823 -12.523 -3.417 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.867 -14.604 -5.364 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.894 -12.888 -6.768 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.624 -12.918 -5.144 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.462 -11.640 -5.575 1.00 0.00 H new ATOM 864 N ILE A 56 -7.895 -14.201 -6.870 1.00 0.00 N ATOM 865 CA ILE A 56 -6.540 -14.217 -7.449 1.00 0.00 C ATOM 866 C ILE A 56 -6.201 -12.848 -8.101 1.00 0.00 C ATOM 867 O ILE A 56 -6.955 -12.347 -8.943 1.00 0.00 O ATOM 868 CB ILE A 56 -6.350 -15.363 -8.512 1.00 0.00 C ATOM 869 CG1 ILE A 56 -6.835 -16.737 -7.951 1.00 0.00 C ATOM 870 CG2 ILE A 56 -4.875 -15.448 -8.997 1.00 0.00 C ATOM 871 CD1 ILE A 56 -6.868 -17.856 -8.982 1.00 0.00 C ATOM 0 H ILE A 56 -8.499 -14.949 -7.209 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.856 -14.410 -6.623 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.968 -15.116 -9.375 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.181 -17.033 -7.131 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.834 -16.614 -7.533 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.779 -16.249 -9.730 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.587 -14.501 -9.454 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.224 -15.653 -8.147 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -7.216 -18.775 -8.510 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.545 -17.585 -9.792 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.866 -18.011 -9.383 1.00 0.00 H new ATOM 883 N GLY A 57 -5.071 -12.277 -7.686 1.00 0.00 N ATOM 884 CA GLY A 57 -4.749 -10.856 -7.895 1.00 0.00 C ATOM 885 C GLY A 57 -4.604 -10.136 -6.558 1.00 0.00 C ATOM 886 O GLY A 57 -4.121 -9.005 -6.493 1.00 0.00 O ATOM 0 H GLY A 57 -4.342 -12.789 -7.189 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.824 -10.767 -8.464 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.533 -10.383 -8.486 1.00 0.00 H new ATOM 890 N THR A 58 -5.041 -10.825 -5.488 1.00 0.00 N ATOM 891 CA THR A 58 -4.713 -10.482 -4.102 1.00 0.00 C ATOM 892 C THR A 58 -3.322 -11.064 -3.777 1.00 0.00 C ATOM 893 O THR A 58 -2.904 -12.072 -4.366 1.00 0.00 O ATOM 894 CB THR A 58 -5.795 -11.060 -3.117 1.00 0.00 C ATOM 895 OG1 THR A 58 -7.098 -10.640 -3.537 1.00 0.00 O ATOM 896 CG2 THR A 58 -5.586 -10.640 -1.647 1.00 0.00 C ATOM 0 H THR A 58 -5.640 -11.647 -5.569 1.00 0.00 H new ATOM 0 HA THR A 58 -4.702 -9.399 -3.981 1.00 0.00 H new ATOM 0 HB THR A 58 -5.694 -12.145 -3.156 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.366 -11.149 -4.331 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.370 -11.077 -1.029 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.614 -10.993 -1.303 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.626 -9.553 -1.570 1.00 0.00 H new ATOM 904 N VAL A 59 -2.575 -10.402 -2.891 1.00 0.00 N ATOM 905 CA VAL A 59 -1.262 -10.873 -2.434 1.00 0.00 C ATOM 906 C VAL A 59 -1.159 -10.677 -0.918 1.00 0.00 C ATOM 907 O VAL A 59 -1.449 -9.591 -0.414 1.00 0.00 O ATOM 908 CB VAL A 59 -0.084 -10.110 -3.151 1.00 0.00 C ATOM 909 CG1 VAL A 59 1.297 -10.593 -2.626 1.00 0.00 C ATOM 910 CG2 VAL A 59 -0.172 -10.257 -4.696 1.00 0.00 C ATOM 0 H VAL A 59 -2.863 -9.520 -2.467 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.172 -11.929 -2.687 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.184 -9.051 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.091 -10.050 -3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.364 -10.408 -1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.406 -11.661 -2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.655 -9.719 -5.160 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.115 -11.312 -4.965 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.117 -9.843 -5.048 1.00 0.00 H new ATOM 920 N ARG A 60 -0.766 -11.732 -0.202 1.00 0.00 N ATOM 921 CA ARG A 60 -0.469 -11.666 1.231 1.00 0.00 C ATOM 922 C ARG A 60 1.056 -11.583 1.417 1.00 0.00 C ATOM 923 O ARG A 60 1.801 -12.321 0.782 1.00 0.00 O ATOM 924 CB ARG A 60 -1.071 -12.886 1.955 1.00 0.00 C ATOM 925 CG ARG A 60 -0.768 -12.945 3.465 1.00 0.00 C ATOM 926 CD ARG A 60 -1.589 -14.018 4.195 1.00 0.00 C ATOM 927 NE ARG A 60 -1.465 -15.355 3.606 1.00 0.00 N ATOM 928 CZ ARG A 60 -1.906 -16.483 4.181 1.00 0.00 C ATOM 929 NH1 ARG A 60 -2.305 -16.476 5.449 1.00 0.00 N ATOM 930 NH2 ARG A 60 -1.907 -17.607 3.495 1.00 0.00 N ATOM 0 H ARG A 60 -0.644 -12.662 -0.602 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.921 -10.777 1.671 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.152 -12.880 1.814 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.693 -13.794 1.485 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.294 -13.145 3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.973 -11.972 3.910 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.273 -14.059 5.237 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.639 -13.725 4.192 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.012 -15.432 2.696 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.276 -15.610 5.988 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.640 -17.336 5.883 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.573 -17.617 2.531 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.241 -18.468 3.927 1.00 0.00 H new ATOM 944 N ILE A 61 1.506 -10.691 2.313 1.00 0.00 N ATOM 945 CA ILE A 61 2.922 -10.307 2.453 1.00 0.00 C ATOM 946 C ILE A 61 3.293 -10.302 3.940 1.00 0.00 C ATOM 947 O ILE A 61 2.845 -9.457 4.696 1.00 0.00 O ATOM 948 CB ILE A 61 3.198 -8.892 1.817 1.00 0.00 C ATOM 949 CG1 ILE A 61 2.759 -8.882 0.319 1.00 0.00 C ATOM 950 CG2 ILE A 61 4.692 -8.500 1.971 1.00 0.00 C ATOM 951 CD1 ILE A 61 2.788 -7.534 -0.357 1.00 0.00 C ATOM 0 H ILE A 61 0.891 -10.210 2.969 1.00 0.00 H new ATOM 0 HA ILE A 61 3.537 -11.032 1.919 1.00 0.00 H new ATOM 0 HB ILE A 61 2.608 -8.147 2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.406 -9.561 -0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.747 -9.281 0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.859 -7.520 1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.952 -8.466 3.029 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.316 -9.239 1.468 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.465 -7.639 -1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.117 -6.851 0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.802 -7.136 -0.332 1.00 0.00 H new ATOM 963 N TRP A 62 4.100 -11.270 4.337 1.00 0.00 N ATOM 964 CA TRP A 62 4.492 -11.481 5.736 1.00 0.00 C ATOM 965 C TRP A 62 5.775 -10.697 6.007 1.00 0.00 C ATOM 966 O TRP A 62 6.766 -10.978 5.395 1.00 0.00 O ATOM 967 CB TRP A 62 4.711 -13.006 5.975 1.00 0.00 C ATOM 968 CG TRP A 62 3.484 -13.848 5.699 1.00 0.00 C ATOM 969 CD1 TRP A 62 2.868 -14.047 4.494 1.00 0.00 C ATOM 970 CD2 TRP A 62 2.742 -14.608 6.649 1.00 0.00 C ATOM 971 NE1 TRP A 62 1.777 -14.847 4.655 1.00 0.00 N ATOM 972 CE2 TRP A 62 1.686 -15.218 5.968 1.00 0.00 C ATOM 973 CE3 TRP A 62 2.875 -14.821 8.011 1.00 0.00 C ATOM 974 CZ2 TRP A 62 0.764 -16.028 6.617 1.00 0.00 C ATOM 975 CZ3 TRP A 62 1.969 -15.624 8.656 1.00 0.00 C ATOM 976 CH2 TRP A 62 0.919 -16.223 7.960 1.00 0.00 C ATOM 0 H TRP A 62 4.512 -11.946 3.694 1.00 0.00 H new ATOM 0 HA TRP A 62 3.714 -11.131 6.415 1.00 0.00 H new ATOM 0 HB2 TRP A 62 5.527 -13.351 5.340 1.00 0.00 H new ATOM 0 HB3 TRP A 62 5.023 -13.162 7.008 1.00 0.00 H new ATOM 0 HD1 TRP A 62 3.198 -13.631 3.553 1.00 0.00 H new ATOM 0 HE1 TRP A 62 1.132 -15.125 3.915 1.00 0.00 H new ATOM 0 HE3 TRP A 62 3.683 -14.360 8.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -0.050 -16.489 6.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 2.070 -15.795 9.718 1.00 0.00 H new ATOM 0 HH2 TRP A 62 0.218 -16.850 8.491 1.00 0.00 H new ATOM 987 N ILE A 63 5.748 -9.709 6.903 1.00 0.00 N ATOM 988 CA ILE A 63 6.945 -8.907 7.259 1.00 0.00 C ATOM 989 C ILE A 63 7.202 -9.047 8.759 1.00 0.00 C ATOM 990 O ILE A 63 6.339 -9.527 9.482 1.00 0.00 O ATOM 991 CB ILE A 63 6.782 -7.379 6.902 1.00 0.00 C ATOM 992 CG1 ILE A 63 5.554 -6.750 7.631 1.00 0.00 C ATOM 993 CG2 ILE A 63 6.684 -7.168 5.375 1.00 0.00 C ATOM 994 CD1 ILE A 63 5.482 -5.236 7.539 1.00 0.00 C ATOM 0 H ILE A 63 4.905 -9.434 7.407 1.00 0.00 H new ATOM 0 HA ILE A 63 7.784 -9.288 6.676 1.00 0.00 H new ATOM 0 HB ILE A 63 7.676 -6.866 7.255 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.641 -7.172 7.210 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.583 -7.038 8.682 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.572 -6.105 5.161 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.590 -7.541 4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.820 -7.709 4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.600 -4.881 8.071 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.376 -4.801 7.987 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.419 -4.938 6.493 1.00 0.00 H new ATOM 1006 N ARG A 64 8.412 -8.688 9.208 1.00 0.00 N ATOM 1007 CA ARG A 64 8.681 -8.458 10.642 1.00 0.00 C ATOM 1008 C ARG A 64 7.787 -7.313 11.160 1.00 0.00 C ATOM 1009 O ARG A 64 7.599 -6.314 10.450 1.00 0.00 O ATOM 1010 CB ARG A 64 10.188 -8.150 10.878 1.00 0.00 C ATOM 1011 CG ARG A 64 11.126 -9.309 10.472 1.00 0.00 C ATOM 1012 CD ARG A 64 12.609 -9.047 10.784 1.00 0.00 C ATOM 1013 NE ARG A 64 13.445 -10.190 10.351 1.00 0.00 N ATOM 1014 CZ ARG A 64 14.714 -10.414 10.700 1.00 0.00 C ATOM 1015 NH1 ARG A 64 15.362 -9.586 11.494 1.00 0.00 N ATOM 1016 NH2 ARG A 64 15.337 -11.487 10.237 1.00 0.00 N ATOM 0 H ARG A 64 9.222 -8.550 8.604 1.00 0.00 H new ATOM 0 HA ARG A 64 8.443 -9.364 11.200 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.461 -7.258 10.314 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.343 -7.920 11.932 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.811 -10.216 10.987 1.00 0.00 H new ATOM 0 HG3 ARG A 64 11.017 -9.495 9.404 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.937 -8.138 10.279 1.00 0.00 H new ATOM 0 HD3 ARG A 64 12.737 -8.881 11.854 1.00 0.00 H new ATOM 0 HE ARG A 64 13.010 -10.870 9.727 1.00 0.00 H new ATOM 0 HH11 ARG A 64 14.894 -8.754 11.855 1.00 0.00 H new ATOM 0 HH12 ARG A 64 16.331 -9.777 11.748 1.00 0.00 H new ATOM 0 HH21 ARG A 64 14.847 -12.134 9.619 1.00 0.00 H new ATOM 0 HH22 ARG A 64 16.307 -11.666 10.498 1.00 0.00 H new ATOM 1030 N TYR A 65 7.238 -7.495 12.387 1.00 0.00 N ATOM 1031 CA TYR A 65 6.279 -6.559 13.022 1.00 0.00 C ATOM 1032 C TYR A 65 6.861 -5.143 13.026 1.00 0.00 C ATOM 1033 O TYR A 65 7.989 -4.931 13.483 1.00 0.00 O ATOM 1034 CB TYR A 65 5.946 -7.024 14.481 1.00 0.00 C ATOM 1035 CG TYR A 65 4.703 -6.363 15.145 1.00 0.00 C ATOM 1036 CD1 TYR A 65 4.634 -4.983 15.379 1.00 0.00 C ATOM 1037 CD2 TYR A 65 3.603 -7.131 15.550 1.00 0.00 C ATOM 1038 CE1 TYR A 65 3.536 -4.399 15.980 1.00 0.00 C ATOM 1039 CE2 TYR A 65 2.497 -6.547 16.153 1.00 0.00 C ATOM 1040 CZ TYR A 65 2.472 -5.181 16.366 1.00 0.00 C ATOM 1041 OH TYR A 65 1.383 -4.592 16.970 1.00 0.00 O ATOM 0 H TYR A 65 7.452 -8.305 12.969 1.00 0.00 H new ATOM 0 HA TYR A 65 5.353 -6.556 12.447 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.796 -8.104 14.471 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.815 -6.829 15.110 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.463 -4.358 15.081 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.616 -8.199 15.390 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.513 -3.332 16.146 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.659 -7.158 16.455 1.00 0.00 H new ATOM 0 HH TYR A 65 0.716 -5.278 17.182 1.00 0.00 H new ATOM 1051 N ARG A 66 6.086 -4.197 12.493 1.00 0.00 N ATOM 1052 CA ARG A 66 6.436 -2.778 12.492 1.00 0.00 C ATOM 1053 C ARG A 66 5.174 -1.945 12.760 1.00 0.00 C ATOM 1054 O ARG A 66 4.131 -2.183 12.145 1.00 0.00 O ATOM 1055 CB ARG A 66 7.109 -2.381 11.148 1.00 0.00 C ATOM 1056 CG ARG A 66 7.614 -0.921 11.116 1.00 0.00 C ATOM 1057 CD ARG A 66 8.444 -0.583 9.867 1.00 0.00 C ATOM 1058 NE ARG A 66 8.898 0.822 9.908 1.00 0.00 N ATOM 1059 CZ ARG A 66 9.756 1.402 9.066 1.00 0.00 C ATOM 1060 NH1 ARG A 66 10.382 0.707 8.132 1.00 0.00 N ATOM 1061 NH2 ARG A 66 10.004 2.688 9.190 1.00 0.00 N ATOM 0 H ARG A 66 5.191 -4.397 12.047 1.00 0.00 H new ATOM 0 HA ARG A 66 7.158 -2.579 13.284 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.948 -3.051 10.960 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.396 -2.528 10.337 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.758 -0.248 11.166 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.218 -0.735 12.004 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.306 -1.248 9.806 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.847 -0.752 8.971 1.00 0.00 H new ATOM 0 HE ARG A 66 8.519 1.406 10.653 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.214 -0.295 8.043 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.033 1.173 7.500 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.543 3.228 9.922 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.657 3.145 8.554 1.00 0.00 H new ATOM 1075 N LYS A 67 5.298 -0.947 13.657 1.00 0.00 N ATOM 1076 CA LYS A 67 4.160 -0.134 14.146 1.00 0.00 C ATOM 1077 C LYS A 67 3.806 1.009 13.154 1.00 0.00 C ATOM 1078 O LYS A 67 2.890 1.796 13.413 1.00 0.00 O ATOM 1079 CB LYS A 67 4.475 0.483 15.552 1.00 0.00 C ATOM 1080 CG LYS A 67 4.833 -0.509 16.695 1.00 0.00 C ATOM 1081 CD LYS A 67 6.295 -1.023 16.640 1.00 0.00 C ATOM 1082 CE LYS A 67 6.714 -1.782 17.906 1.00 0.00 C ATOM 1083 NZ LYS A 67 5.899 -2.996 18.136 1.00 0.00 N ATOM 0 H LYS A 67 6.193 -0.679 14.066 1.00 0.00 H new ATOM 0 HA LYS A 67 3.304 -0.804 14.228 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.304 1.181 15.437 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.609 1.065 15.868 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.665 -0.020 17.654 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.156 -1.362 16.649 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.412 -1.677 15.776 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.966 -0.177 16.492 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.764 -2.063 17.826 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.626 -1.121 18.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.285 -2.851 18.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.312 -3.184 17.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.526 -3.808 18.309 1.00 0.00 H new ATOM 1097 N ASP A 68 4.525 1.077 12.018 1.00 0.00 N ATOM 1098 CA ASP A 68 4.404 2.175 11.027 1.00 0.00 C ATOM 1099 C ASP A 68 3.397 1.819 9.924 1.00 0.00 C ATOM 1100 O ASP A 68 2.880 2.713 9.246 1.00 0.00 O ATOM 1101 CB ASP A 68 5.791 2.446 10.368 1.00 0.00 C ATOM 1102 CG ASP A 68 6.849 3.004 11.336 1.00 0.00 C ATOM 1103 OD1 ASP A 68 7.245 2.284 12.272 1.00 0.00 O ATOM 1104 OD2 ASP A 68 7.326 4.142 11.137 1.00 0.00 O ATOM 0 H ASP A 68 5.212 0.370 11.756 1.00 0.00 H new ATOM 0 HA ASP A 68 4.053 3.063 11.553 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.163 1.517 9.936 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.659 3.150 9.546 1.00 0.00 H new ATOM 1109 N ILE A 69 3.128 0.513 9.752 1.00 0.00 N ATOM 1110 CA ILE A 69 2.347 0.005 8.609 1.00 0.00 C ATOM 1111 C ILE A 69 0.857 0.375 8.766 1.00 0.00 C ATOM 1112 O ILE A 69 0.233 0.041 9.779 1.00 0.00 O ATOM 1113 CB ILE A 69 2.494 -1.553 8.436 1.00 0.00 C ATOM 1114 CG1 ILE A 69 3.996 -1.990 8.524 1.00 0.00 C ATOM 1115 CG2 ILE A 69 1.841 -2.011 7.100 1.00 0.00 C ATOM 1116 CD1 ILE A 69 4.918 -1.376 7.480 1.00 0.00 C ATOM 0 H ILE A 69 3.442 -0.215 10.394 1.00 0.00 H new ATOM 0 HA ILE A 69 2.747 0.479 7.713 1.00 0.00 H new ATOM 0 HB ILE A 69 1.968 -2.045 9.254 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.374 -1.733 9.514 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.047 -3.075 8.435 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.950 -3.090 6.993 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.782 -1.752 7.105 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.333 -1.512 6.265 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.933 -1.744 7.630 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.575 -1.653 6.483 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.907 -0.291 7.578 1.00 0.00 H new ATOM 1128 N ASN A 70 0.318 1.071 7.757 1.00 0.00 N ATOM 1129 CA ASN A 70 -1.077 1.565 7.741 1.00 0.00 C ATOM 1130 C ASN A 70 -1.716 1.233 6.375 1.00 0.00 C ATOM 1131 O ASN A 70 -1.024 0.791 5.458 1.00 0.00 O ATOM 1132 CB ASN A 70 -1.076 3.108 8.004 1.00 0.00 C ATOM 1133 CG ASN A 70 -2.468 3.700 8.291 1.00 0.00 C ATOM 1134 OD1 ASN A 70 -3.163 4.146 7.382 1.00 0.00 O ATOM 1135 ND2 ASN A 70 -2.883 3.702 9.551 1.00 0.00 N ATOM 0 H ASN A 70 0.840 1.313 6.915 1.00 0.00 H new ATOM 0 HA ASN A 70 -1.663 1.081 8.522 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.422 3.321 8.849 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.651 3.613 7.137 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.801 4.081 9.785 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.284 3.325 10.286 1.00 0.00 H new ATOM 1142 N ALA A 71 -3.041 1.442 6.254 1.00 0.00 N ATOM 1143 CA ALA A 71 -3.771 1.311 4.972 1.00 0.00 C ATOM 1144 C ALA A 71 -3.311 2.376 3.948 1.00 0.00 C ATOM 1145 O ALA A 71 -3.528 2.230 2.736 1.00 0.00 O ATOM 1146 CB ALA A 71 -5.281 1.409 5.220 1.00 0.00 C ATOM 0 H ALA A 71 -3.637 1.706 7.039 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.545 0.333 4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.812 1.312 4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.592 0.611 5.894 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.514 2.374 5.669 1.00 0.00 H new ATOM 1152 N THR A 72 -2.665 3.445 4.456 1.00 0.00 N ATOM 1153 CA THR A 72 -2.034 4.485 3.634 1.00 0.00 C ATOM 1154 C THR A 72 -0.537 4.169 3.423 1.00 0.00 C ATOM 1155 O THR A 72 0.324 5.060 3.414 1.00 0.00 O ATOM 1156 CB THR A 72 -2.233 5.900 4.277 1.00 0.00 C ATOM 1157 OG1 THR A 72 -1.739 5.900 5.632 1.00 0.00 O ATOM 1158 CG2 THR A 72 -3.710 6.341 4.261 1.00 0.00 C ATOM 0 H THR A 72 -2.569 3.608 5.458 1.00 0.00 H new ATOM 0 HA THR A 72 -2.517 4.497 2.657 1.00 0.00 H new ATOM 0 HB THR A 72 -1.668 6.613 3.677 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.320 5.343 6.192 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.800 7.327 4.717 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.066 6.383 3.232 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.310 5.625 4.823 1.00 0.00 H new ATOM 1166 N SER A 73 -0.246 2.881 3.230 1.00 0.00 N ATOM 1167 CA SER A 73 1.064 2.395 2.805 1.00 0.00 C ATOM 1168 C SER A 73 0.854 1.432 1.621 1.00 0.00 C ATOM 1169 O SER A 73 -0.221 0.838 1.483 1.00 0.00 O ATOM 1170 CB SER A 73 1.799 1.708 3.987 1.00 0.00 C ATOM 1171 OG SER A 73 1.899 2.577 5.111 1.00 0.00 O ATOM 0 H SER A 73 -0.928 2.135 3.368 1.00 0.00 H new ATOM 0 HA SER A 73 1.695 3.224 2.485 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.265 0.802 4.272 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.797 1.404 3.670 1.00 0.00 H new ATOM 0 HG SER A 73 2.365 2.117 5.840 1.00 0.00 H new ATOM 1177 N ARG A 74 1.840 1.351 0.724 1.00 0.00 N ATOM 1178 CA ARG A 74 1.918 0.303 -0.304 1.00 0.00 C ATOM 1179 C ARG A 74 3.184 -0.514 -0.050 1.00 0.00 C ATOM 1180 O ARG A 74 4.083 -0.076 0.679 1.00 0.00 O ATOM 1181 CB ARG A 74 1.931 0.891 -1.744 1.00 0.00 C ATOM 1182 CG ARG A 74 0.646 1.651 -2.147 1.00 0.00 C ATOM 1183 CD ARG A 74 0.674 2.127 -3.616 1.00 0.00 C ATOM 1184 NE ARG A 74 1.879 2.919 -3.931 1.00 0.00 N ATOM 1185 CZ ARG A 74 2.277 3.275 -5.165 1.00 0.00 C ATOM 1186 NH1 ARG A 74 1.542 2.996 -6.230 1.00 0.00 N ATOM 1187 NH2 ARG A 74 3.420 3.917 -5.310 1.00 0.00 N ATOM 0 H ARG A 74 2.614 2.015 0.688 1.00 0.00 H new ATOM 0 HA ARG A 74 1.031 -0.327 -0.236 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.780 1.568 -1.837 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.092 0.078 -2.452 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.218 1.003 -1.995 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.517 2.513 -1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.630 1.261 -4.276 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.214 2.727 -3.817 1.00 0.00 H new ATOM 0 HE ARG A 74 2.458 3.221 -3.148 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.656 2.502 -6.123 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.862 3.275 -7.158 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.989 4.137 -4.492 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.735 4.194 -6.240 1.00 0.00 H new ATOM 1201 N ILE A 75 3.238 -1.699 -0.649 1.00 0.00 N ATOM 1202 CA ILE A 75 4.320 -2.664 -0.461 1.00 0.00 C ATOM 1203 C ILE A 75 4.852 -3.071 -1.851 1.00 0.00 C ATOM 1204 O ILE A 75 4.244 -3.911 -2.519 1.00 0.00 O ATOM 1205 CB ILE A 75 3.805 -3.943 0.317 1.00 0.00 C ATOM 1206 CG1 ILE A 75 3.062 -3.589 1.655 1.00 0.00 C ATOM 1207 CG2 ILE A 75 4.961 -4.920 0.581 1.00 0.00 C ATOM 1208 CD1 ILE A 75 3.922 -2.930 2.718 1.00 0.00 C ATOM 0 H ILE A 75 2.516 -2.024 -1.293 1.00 0.00 H new ATOM 0 HA ILE A 75 5.114 -2.210 0.132 1.00 0.00 H new ATOM 0 HB ILE A 75 3.071 -4.425 -0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.227 -2.927 1.424 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.638 -4.504 2.069 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.585 -5.792 1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.394 -5.236 -0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.725 -4.426 1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.316 -2.726 3.601 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.743 -3.595 2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.325 -1.994 2.331 1.00 0.00 H new ATOM 1220 N LYS A 76 5.952 -2.445 -2.304 1.00 0.00 N ATOM 1221 CA LYS A 76 6.569 -2.775 -3.607 1.00 0.00 C ATOM 1222 C LYS A 76 7.728 -3.739 -3.373 1.00 0.00 C ATOM 1223 O LYS A 76 8.637 -3.432 -2.605 1.00 0.00 O ATOM 1224 CB LYS A 76 7.052 -1.505 -4.360 1.00 0.00 C ATOM 1225 CG LYS A 76 7.594 -1.773 -5.792 1.00 0.00 C ATOM 1226 CD LYS A 76 7.907 -0.484 -6.605 1.00 0.00 C ATOM 1227 CE LYS A 76 9.250 0.203 -6.255 1.00 0.00 C ATOM 1228 NZ LYS A 76 9.329 0.675 -4.851 1.00 0.00 N ATOM 0 H LYS A 76 6.434 -1.708 -1.790 1.00 0.00 H new ATOM 0 HA LYS A 76 5.817 -3.246 -4.240 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.224 -0.799 -4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.835 -1.025 -3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.501 -2.373 -5.719 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.863 -2.367 -6.340 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.910 -0.734 -7.666 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.099 0.231 -6.448 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.065 -0.496 -6.440 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.399 1.051 -6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.174 1.269 -4.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.480 1.231 -4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.388 -0.144 -4.212 1.00 0.00 H new ATOM 1242 N VAL A 77 7.679 -4.907 -4.023 1.00 0.00 N ATOM 1243 CA VAL A 77 8.662 -5.977 -3.814 1.00 0.00 C ATOM 1244 C VAL A 77 9.999 -5.612 -4.471 1.00 0.00 C ATOM 1245 O VAL A 77 10.065 -5.410 -5.686 1.00 0.00 O ATOM 1246 CB VAL A 77 8.149 -7.346 -4.380 1.00 0.00 C ATOM 1247 CG1 VAL A 77 9.088 -8.515 -4.009 1.00 0.00 C ATOM 1248 CG2 VAL A 77 6.710 -7.622 -3.919 1.00 0.00 C ATOM 0 H VAL A 77 6.959 -5.137 -4.707 1.00 0.00 H new ATOM 0 HA VAL A 77 8.806 -6.085 -2.739 1.00 0.00 H new ATOM 0 HB VAL A 77 8.151 -7.270 -5.467 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.694 -9.444 -4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.081 -8.329 -4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.153 -8.599 -2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.375 -8.577 -4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.677 -7.658 -2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.055 -6.827 -4.276 1.00 0.00 H new ATOM 1258 N SER A 78 11.041 -5.500 -3.638 1.00 0.00 N ATOM 1259 CA SER A 78 12.419 -5.252 -4.083 1.00 0.00 C ATOM 1260 C SER A 78 12.983 -6.481 -4.824 1.00 0.00 C ATOM 1261 O SER A 78 13.702 -6.347 -5.822 1.00 0.00 O ATOM 1262 CB SER A 78 13.291 -4.910 -2.858 1.00 0.00 C ATOM 1263 OG SER A 78 14.652 -4.709 -3.198 1.00 0.00 O ATOM 0 H SER A 78 10.951 -5.580 -2.625 1.00 0.00 H new ATOM 0 HA SER A 78 12.427 -4.413 -4.779 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.903 -4.011 -2.380 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.218 -5.716 -2.128 1.00 0.00 H new ATOM 0 HG SER A 78 14.965 -3.866 -2.809 1.00 0.00 H new ATOM 1269 N THR A 79 12.602 -7.675 -4.339 1.00 0.00 N ATOM 1270 CA THR A 79 13.113 -8.954 -4.846 1.00 0.00 C ATOM 1271 C THR A 79 12.260 -10.109 -4.304 1.00 0.00 C ATOM 1272 O THR A 79 11.893 -10.114 -3.120 1.00 0.00 O ATOM 1273 CB THR A 79 14.631 -9.163 -4.499 1.00 0.00 C ATOM 1274 OG1 THR A 79 15.120 -10.386 -5.073 1.00 0.00 O ATOM 1275 CG2 THR A 79 14.897 -9.153 -2.988 1.00 0.00 C ATOM 0 H THR A 79 11.928 -7.777 -3.581 1.00 0.00 H new ATOM 0 HA THR A 79 13.039 -8.937 -5.933 1.00 0.00 H new ATOM 0 HB THR A 79 15.168 -8.319 -4.931 1.00 0.00 H new ATOM 0 HG1 THR A 79 16.067 -10.497 -4.847 1.00 0.00 H new ATOM 0 HG21 THR A 79 15.961 -9.301 -2.805 1.00 0.00 H new ATOM 0 HG22 THR A 79 14.587 -8.195 -2.570 1.00 0.00 H new ATOM 0 HG23 THR A 79 14.332 -9.955 -2.514 1.00 0.00 H new ATOM 1283 N GLY A 80 11.916 -11.053 -5.192 1.00 0.00 N ATOM 1284 CA GLY A 80 11.088 -12.205 -4.849 1.00 0.00 C ATOM 1285 C GLY A 80 10.319 -12.727 -6.051 1.00 0.00 C ATOM 1286 O GLY A 80 10.731 -12.473 -7.192 1.00 0.00 O ATOM 0 H GLY A 80 12.208 -11.034 -6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.718 -12.999 -4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.387 -11.927 -4.062 1.00 0.00 H new ATOM 1290 N PRO A 81 9.192 -13.478 -5.837 1.00 0.00 N ATOM 1291 CA PRO A 81 8.335 -13.975 -6.942 1.00 0.00 C ATOM 1292 C PRO A 81 7.641 -12.822 -7.702 1.00 0.00 C ATOM 1293 O PRO A 81 7.365 -12.929 -8.899 1.00 0.00 O ATOM 1294 CB PRO A 81 7.303 -14.888 -6.222 1.00 0.00 C ATOM 1295 CG PRO A 81 7.260 -14.366 -4.817 1.00 0.00 C ATOM 1296 CD PRO A 81 8.672 -13.924 -4.509 1.00 0.00 C ATOM 0 HA PRO A 81 8.906 -14.502 -7.706 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.323 -14.832 -6.697 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.611 -15.933 -6.248 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.560 -13.535 -4.728 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.929 -15.137 -4.121 1.00 0.00 H new ATOM 0 HD2 PRO A 81 8.690 -13.115 -3.778 1.00 0.00 H new ATOM 0 HD3 PRO A 81 9.267 -14.739 -4.097 1.00 0.00 H new ATOM 1304 N LEU A 82 7.383 -11.714 -6.986 1.00 0.00 N ATOM 1305 CA LEU A 82 6.642 -10.557 -7.513 1.00 0.00 C ATOM 1306 C LEU A 82 7.546 -9.316 -7.566 1.00 0.00 C ATOM 1307 O LEU A 82 7.067 -8.186 -7.414 1.00 0.00 O ATOM 1308 CB LEU A 82 5.397 -10.299 -6.623 1.00 0.00 C ATOM 1309 CG LEU A 82 4.423 -11.507 -6.445 1.00 0.00 C ATOM 1310 CD1 LEU A 82 3.208 -11.104 -5.603 1.00 0.00 C ATOM 1311 CD2 LEU A 82 3.980 -12.098 -7.799 1.00 0.00 C ATOM 0 H LEU A 82 7.685 -11.596 -6.019 1.00 0.00 H new ATOM 0 HA LEU A 82 6.313 -10.770 -8.530 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.738 -9.984 -5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.837 -9.466 -7.048 1.00 0.00 H new ATOM 0 HG LEU A 82 4.969 -12.288 -5.916 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.543 -11.960 -5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.541 -10.772 -4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.675 -10.292 -6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.304 -12.935 -7.627 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.468 -11.331 -8.380 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.855 -12.445 -8.348 1.00 0.00 H new ATOM 1323 N ALA A 83 8.857 -9.546 -7.807 1.00 0.00 N ATOM 1324 CA ALA A 83 9.875 -8.478 -7.858 1.00 0.00 C ATOM 1325 C ALA A 83 9.520 -7.412 -8.921 1.00 0.00 C ATOM 1326 O ALA A 83 9.464 -7.720 -10.117 1.00 0.00 O ATOM 1327 CB ALA A 83 11.257 -9.085 -8.140 1.00 0.00 C ATOM 0 H ALA A 83 9.236 -10.478 -7.971 1.00 0.00 H new ATOM 0 HA ALA A 83 9.897 -7.980 -6.889 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.003 -8.291 -8.176 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.514 -9.788 -7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.237 -9.607 -9.096 1.00 0.00 H new ATOM 1333 N GLY A 84 9.235 -6.181 -8.452 1.00 0.00 N ATOM 1334 CA GLY A 84 8.881 -5.046 -9.315 1.00 0.00 C ATOM 1335 C GLY A 84 7.455 -4.553 -9.084 1.00 0.00 C ATOM 1336 O GLY A 84 7.175 -3.353 -9.227 1.00 0.00 O ATOM 0 H GLY A 84 9.245 -5.949 -7.459 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.578 -4.227 -9.136 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.995 -5.339 -10.359 1.00 0.00 H new ATOM 1340 N ARG A 85 6.554 -5.479 -8.696 1.00 0.00 N ATOM 1341 CA ARG A 85 5.115 -5.183 -8.492 1.00 0.00 C ATOM 1342 C ARG A 85 4.901 -4.356 -7.208 1.00 0.00 C ATOM 1343 O ARG A 85 5.578 -4.583 -6.201 1.00 0.00 O ATOM 1344 CB ARG A 85 4.274 -6.493 -8.415 1.00 0.00 C ATOM 1345 CG ARG A 85 4.435 -7.441 -9.630 1.00 0.00 C ATOM 1346 CD ARG A 85 3.500 -8.666 -9.553 1.00 0.00 C ATOM 1347 NE ARG A 85 3.810 -9.667 -10.588 1.00 0.00 N ATOM 1348 CZ ARG A 85 3.067 -10.752 -10.868 1.00 0.00 C ATOM 1349 NH1 ARG A 85 1.856 -10.915 -10.339 1.00 0.00 N ATOM 1350 NH2 ARG A 85 3.539 -11.662 -11.711 1.00 0.00 N ATOM 0 H ARG A 85 6.800 -6.452 -8.515 1.00 0.00 H new ATOM 0 HA ARG A 85 4.778 -4.602 -9.351 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.552 -7.034 -7.511 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.222 -6.227 -8.316 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.230 -6.889 -10.547 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.469 -7.781 -9.687 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.586 -9.125 -8.568 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.466 -8.339 -9.664 1.00 0.00 H new ATOM 0 HE ARG A 85 4.658 -9.526 -11.137 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.476 -10.209 -9.708 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.309 -11.746 -10.564 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.456 -11.534 -12.139 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.985 -12.489 -11.931 1.00 0.00 H new ATOM 1364 N VAL A 86 3.944 -3.410 -7.265 1.00 0.00 N ATOM 1365 CA VAL A 86 3.576 -2.536 -6.132 1.00 0.00 C ATOM 1366 C VAL A 86 2.171 -2.925 -5.596 1.00 0.00 C ATOM 1367 O VAL A 86 1.123 -2.571 -6.156 1.00 0.00 O ATOM 1368 CB VAL A 86 3.686 -1.003 -6.519 1.00 0.00 C ATOM 1369 CG1 VAL A 86 2.844 -0.636 -7.778 1.00 0.00 C ATOM 1370 CG2 VAL A 86 3.349 -0.097 -5.302 1.00 0.00 C ATOM 0 H VAL A 86 3.398 -3.228 -8.107 1.00 0.00 H new ATOM 0 HA VAL A 86 4.289 -2.688 -5.322 1.00 0.00 H new ATOM 0 HB VAL A 86 4.724 -0.816 -6.794 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.958 0.426 -7.995 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.191 -1.220 -8.631 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.793 -0.857 -7.590 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.432 0.950 -5.594 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.332 -0.301 -4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.047 -0.304 -4.490 1.00 0.00 H new ATOM 1380 N LEU A 87 2.185 -3.726 -4.524 1.00 0.00 N ATOM 1381 CA LEU A 87 0.981 -4.278 -3.894 1.00 0.00 C ATOM 1382 C LEU A 87 0.368 -3.262 -2.903 1.00 0.00 C ATOM 1383 O LEU A 87 0.971 -2.927 -1.891 1.00 0.00 O ATOM 1384 CB LEU A 87 1.287 -5.634 -3.184 1.00 0.00 C ATOM 1385 CG LEU A 87 1.924 -6.784 -4.050 1.00 0.00 C ATOM 1386 CD1 LEU A 87 1.175 -7.002 -5.372 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.426 -6.570 -4.288 1.00 0.00 C ATOM 0 H LEU A 87 3.048 -4.013 -4.063 1.00 0.00 H new ATOM 0 HA LEU A 87 0.250 -4.472 -4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.958 -5.432 -2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.355 -6.009 -2.761 1.00 0.00 H new ATOM 0 HG LEU A 87 1.817 -7.697 -3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.653 -7.805 -5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.140 -7.271 -5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.200 -6.084 -5.960 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.819 -7.389 -4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.581 -5.627 -4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.946 -6.541 -3.330 1.00 0.00 H new ATOM 1399 N ASN A 88 -0.843 -2.787 -3.224 1.00 0.00 N ATOM 1400 CA ASN A 88 -1.577 -1.781 -2.428 1.00 0.00 C ATOM 1401 C ASN A 88 -2.311 -2.477 -1.280 1.00 0.00 C ATOM 1402 O ASN A 88 -2.982 -3.481 -1.526 1.00 0.00 O ATOM 1403 CB ASN A 88 -2.611 -1.031 -3.316 1.00 0.00 C ATOM 1404 CG ASN A 88 -2.017 -0.234 -4.489 1.00 0.00 C ATOM 1405 OD1 ASN A 88 -0.966 -0.737 -5.135 1.00 0.00 O flip ATOM 1406 ND2 ASN A 88 -2.526 0.829 -4.837 1.00 0.00 N flip ATOM 0 H ASN A 88 -1.351 -3.092 -4.054 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.862 -1.060 -2.032 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.318 -1.759 -3.714 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.179 -0.347 -2.685 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.330 1.199 -4.331 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.144 1.341 -5.632 1.00 0.00 H new ATOM 1413 N ILE A 89 -2.250 -1.913 -0.056 1.00 0.00 N ATOM 1414 CA ILE A 89 -2.818 -2.565 1.142 1.00 0.00 C ATOM 1415 C ILE A 89 -4.335 -2.358 1.148 1.00 0.00 C ATOM 1416 O ILE A 89 -4.806 -1.215 1.208 1.00 0.00 O ATOM 1417 CB ILE A 89 -2.194 -2.000 2.478 1.00 0.00 C ATOM 1418 CG1 ILE A 89 -0.644 -2.198 2.485 1.00 0.00 C ATOM 1419 CG2 ILE A 89 -2.853 -2.644 3.740 1.00 0.00 C ATOM 1420 CD1 ILE A 89 0.066 -1.590 3.685 1.00 0.00 C ATOM 0 H ILE A 89 -1.814 -1.009 0.129 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.578 -3.627 1.098 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.403 -0.931 2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.427 -3.266 2.454 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.231 -1.762 1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.397 -2.230 4.640 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -3.922 -2.429 3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.700 -3.723 3.720 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.137 -1.776 3.606 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.115 -0.515 3.709 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.314 -2.043 4.601 1.00 0.00 H new ATOM 1432 N ILE A 90 -5.083 -3.463 1.052 1.00 0.00 N ATOM 1433 CA ILE A 90 -6.555 -3.445 1.053 1.00 0.00 C ATOM 1434 C ILE A 90 -7.070 -3.784 2.456 1.00 0.00 C ATOM 1435 O ILE A 90 -6.619 -4.757 3.078 1.00 0.00 O ATOM 1436 CB ILE A 90 -7.172 -4.405 -0.033 1.00 0.00 C ATOM 1437 CG1 ILE A 90 -6.509 -5.823 0.004 1.00 0.00 C ATOM 1438 CG2 ILE A 90 -7.045 -3.764 -1.432 1.00 0.00 C ATOM 1439 CD1 ILE A 90 -7.092 -6.836 -0.966 1.00 0.00 C ATOM 0 H ILE A 90 -4.686 -4.399 0.971 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.880 -2.440 0.784 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.229 -4.545 0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.445 -5.714 -0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.596 -6.221 1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.473 -4.433 -2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.579 -2.814 -1.447 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.993 -3.593 -1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.565 -7.784 -0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.150 -6.983 -0.747 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.981 -6.469 -1.986 1.00 0.00 H new ATOM 1451 N GLY A 91 -8.019 -2.971 2.940 1.00 0.00 N ATOM 1452 CA GLY A 91 -8.481 -3.034 4.319 1.00 0.00 C ATOM 1453 C GLY A 91 -7.486 -2.359 5.250 1.00 0.00 C ATOM 1454 O GLY A 91 -7.181 -1.176 5.067 1.00 0.00 O ATOM 0 H GLY A 91 -8.483 -2.255 2.381 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.453 -2.549 4.405 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.616 -4.074 4.615 1.00 0.00 H new ATOM 1458 N GLN A 92 -6.962 -3.109 6.218 1.00 0.00 N ATOM 1459 CA GLN A 92 -5.935 -2.639 7.159 1.00 0.00 C ATOM 1460 C GLN A 92 -5.024 -3.829 7.523 1.00 0.00 C ATOM 1461 O GLN A 92 -5.513 -4.959 7.551 1.00 0.00 O ATOM 1462 CB GLN A 92 -6.604 -2.022 8.424 1.00 0.00 C ATOM 1463 CG GLN A 92 -7.502 -2.987 9.228 1.00 0.00 C ATOM 1464 CD GLN A 92 -8.197 -2.324 10.417 1.00 0.00 C ATOM 1465 OE1 GLN A 92 -7.675 -2.310 11.527 1.00 0.00 O ATOM 1466 NE2 GLN A 92 -9.371 -1.753 10.185 1.00 0.00 N ATOM 0 H GLN A 92 -7.241 -4.077 6.377 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.331 -1.857 6.700 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.821 -1.645 9.083 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -7.203 -1.164 8.117 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.257 -3.407 8.564 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.897 -3.819 9.588 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -9.777 -1.783 9.250 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -9.868 -1.284 10.942 1.00 0.00 H new ATOM 1475 N PRO A 93 -3.692 -3.604 7.793 1.00 0.00 N ATOM 1476 CA PRO A 93 -2.739 -4.699 8.132 1.00 0.00 C ATOM 1477 C PRO A 93 -3.179 -5.512 9.379 1.00 0.00 C ATOM 1478 O PRO A 93 -3.715 -4.951 10.341 1.00 0.00 O ATOM 1479 CB PRO A 93 -1.398 -3.948 8.385 1.00 0.00 C ATOM 1480 CG PRO A 93 -1.794 -2.524 8.641 1.00 0.00 C ATOM 1481 CD PRO A 93 -3.006 -2.282 7.779 1.00 0.00 C ATOM 0 HA PRO A 93 -2.673 -5.444 7.339 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.865 -4.369 9.237 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.734 -4.025 7.524 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -2.023 -2.364 9.694 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.986 -1.839 8.383 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.640 -1.493 8.185 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.730 -1.981 6.769 1.00 0.00 H new ATOM 1489 N LEU A 94 -2.957 -6.837 9.330 1.00 0.00 N ATOM 1490 CA LEU A 94 -3.383 -7.779 10.383 1.00 0.00 C ATOM 1491 C LEU A 94 -2.120 -8.350 11.070 1.00 0.00 C ATOM 1492 O LEU A 94 -1.404 -9.133 10.457 1.00 0.00 O ATOM 1493 CB LEU A 94 -4.276 -8.910 9.744 1.00 0.00 C ATOM 1494 CG LEU A 94 -5.173 -9.799 10.691 1.00 0.00 C ATOM 1495 CD1 LEU A 94 -4.373 -10.876 11.450 1.00 0.00 C ATOM 1496 CD2 LEU A 94 -6.000 -8.927 11.658 1.00 0.00 C ATOM 0 H LEU A 94 -2.474 -7.289 8.554 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.986 -7.277 11.139 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.934 -8.438 9.014 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.616 -9.579 9.192 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.863 -10.337 10.041 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.048 -11.452 12.083 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.890 -11.542 10.735 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.615 -10.397 12.070 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.607 -9.568 12.297 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.328 -8.331 12.276 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.650 -8.265 11.086 1.00 0.00 H new ATOM 1508 N PRO A 95 -1.812 -7.969 12.350 1.00 0.00 N ATOM 1509 CA PRO A 95 -0.631 -8.500 13.074 1.00 0.00 C ATOM 1510 C PRO A 95 -0.744 -10.017 13.330 1.00 0.00 C ATOM 1511 O PRO A 95 -1.838 -10.573 13.330 1.00 0.00 O ATOM 1512 CB PRO A 95 -0.620 -7.683 14.393 1.00 0.00 C ATOM 1513 CG PRO A 95 -2.041 -7.244 14.576 1.00 0.00 C ATOM 1514 CD PRO A 95 -2.575 -7.002 13.181 1.00 0.00 C ATOM 0 HA PRO A 95 0.294 -8.394 12.507 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -0.281 -8.290 15.233 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.053 -6.829 14.325 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.624 -8.007 15.092 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.097 -6.338 15.180 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.648 -7.182 13.124 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.407 -5.974 12.859 1.00 0.00 H new ATOM 1522 N ASP A 96 0.400 -10.675 13.509 1.00 0.00 N ATOM 1523 CA ASP A 96 0.469 -12.114 13.833 1.00 0.00 C ATOM 1524 C ASP A 96 -0.261 -12.455 15.153 1.00 0.00 C ATOM 1525 O ASP A 96 -0.388 -11.599 16.037 1.00 0.00 O ATOM 1526 CB ASP A 96 1.955 -12.504 13.913 1.00 0.00 C ATOM 1527 CG ASP A 96 2.231 -13.963 14.320 1.00 0.00 C ATOM 1528 OD1 ASP A 96 1.743 -14.878 13.632 1.00 0.00 O ATOM 1529 OD2 ASP A 96 2.927 -14.183 15.325 1.00 0.00 O ATOM 0 H ASP A 96 1.315 -10.230 13.435 1.00 0.00 H new ATOM 0 HA ASP A 96 -0.039 -12.682 13.054 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.414 -12.322 12.941 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.449 -11.845 14.627 1.00 0.00 H new ATOM 1534 N ALA A 97 -0.712 -13.720 15.267 1.00 0.00 N ATOM 1535 CA ALA A 97 -1.375 -14.254 16.476 1.00 0.00 C ATOM 1536 C ALA A 97 -0.454 -14.147 17.708 1.00 0.00 C ATOM 1537 O ALA A 97 -0.894 -13.735 18.782 1.00 0.00 O ATOM 1538 CB ALA A 97 -1.810 -15.708 16.238 1.00 0.00 C ATOM 0 H ALA A 97 -0.626 -14.406 14.517 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.262 -13.654 16.678 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.297 -16.093 17.134 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.507 -15.747 15.401 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.935 -16.317 16.011 1.00 0.00 H new ATOM 1544 N ALA A 98 0.829 -14.490 17.523 1.00 0.00 N ATOM 1545 CA ALA A 98 1.854 -14.394 18.585 1.00 0.00 C ATOM 1546 C ALA A 98 2.516 -12.996 18.600 1.00 0.00 C ATOM 1547 O ALA A 98 3.284 -12.689 19.512 1.00 0.00 O ATOM 1548 CB ALA A 98 2.910 -15.494 18.387 1.00 0.00 C ATOM 0 H ALA A 98 1.190 -14.842 16.636 1.00 0.00 H new ATOM 0 HA ALA A 98 1.368 -14.536 19.550 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.664 -15.420 19.171 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.430 -16.472 18.435 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.386 -15.371 17.414 1.00 0.00 H new ATOM 1554 N ARG A 99 2.200 -12.172 17.565 1.00 0.00 N ATOM 1555 CA ARG A 99 2.725 -10.791 17.375 1.00 0.00 C ATOM 1556 C ARG A 99 4.237 -10.787 17.035 1.00 0.00 C ATOM 1557 O ARG A 99 4.900 -9.753 17.160 1.00 0.00 O ATOM 1558 CB ARG A 99 2.412 -9.841 18.594 1.00 0.00 C ATOM 1559 CG ARG A 99 0.943 -9.338 18.714 1.00 0.00 C ATOM 1560 CD ARG A 99 -0.070 -10.423 19.121 1.00 0.00 C ATOM 1561 NE ARG A 99 -1.430 -9.870 19.299 1.00 0.00 N ATOM 1562 CZ ARG A 99 -2.556 -10.381 18.779 1.00 0.00 C ATOM 1563 NH1 ARG A 99 -2.520 -11.438 17.981 1.00 0.00 N ATOM 1564 NH2 ARG A 99 -3.715 -9.818 19.061 1.00 0.00 N ATOM 0 H ARG A 99 1.559 -12.455 16.823 1.00 0.00 H new ATOM 0 HA ARG A 99 2.190 -10.385 16.517 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.670 -10.367 19.513 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.067 -8.972 18.529 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.907 -8.531 19.446 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.638 -8.914 17.757 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.092 -11.203 18.360 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.255 -10.893 20.049 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.520 -9.027 19.866 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.627 -11.875 17.754 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.385 -11.814 17.594 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -3.750 -9.001 19.670 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -4.576 -10.200 18.670 1.00 0.00 H new ATOM 1578 N THR A 100 4.766 -11.923 16.534 1.00 0.00 N ATOM 1579 CA THR A 100 6.202 -12.042 16.160 1.00 0.00 C ATOM 1580 C THR A 100 6.502 -11.414 14.779 1.00 0.00 C ATOM 1581 O THR A 100 7.666 -11.329 14.357 1.00 0.00 O ATOM 1582 CB THR A 100 6.668 -13.535 16.166 1.00 0.00 C ATOM 1583 OG1 THR A 100 5.893 -14.300 15.230 1.00 0.00 O ATOM 1584 CG2 THR A 100 6.541 -14.161 17.567 1.00 0.00 C ATOM 0 H THR A 100 4.225 -12.774 16.377 1.00 0.00 H new ATOM 0 HA THR A 100 6.761 -11.488 16.914 1.00 0.00 H new ATOM 0 HB THR A 100 7.719 -13.552 15.876 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.945 -14.254 15.475 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.873 -15.199 17.533 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.159 -13.604 18.272 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.500 -14.124 17.889 1.00 0.00 H new ATOM 1592 N ARG A 101 5.444 -10.932 14.119 1.00 0.00 N ATOM 1593 CA ARG A 101 5.495 -10.425 12.750 1.00 0.00 C ATOM 1594 C ARG A 101 4.183 -9.666 12.441 1.00 0.00 C ATOM 1595 O ARG A 101 3.320 -9.503 13.322 1.00 0.00 O ATOM 1596 CB ARG A 101 5.720 -11.599 11.750 1.00 0.00 C ATOM 1597 CG ARG A 101 4.566 -12.601 11.720 1.00 0.00 C ATOM 1598 CD ARG A 101 4.745 -13.727 10.719 1.00 0.00 C ATOM 1599 NE ARG A 101 5.788 -14.686 11.115 1.00 0.00 N ATOM 1600 CZ ARG A 101 6.237 -15.701 10.357 1.00 0.00 C ATOM 1601 NH1 ARG A 101 5.833 -15.845 9.095 1.00 0.00 N ATOM 1602 NH2 ARG A 101 7.124 -16.540 10.862 1.00 0.00 N ATOM 0 H ARG A 101 4.512 -10.884 14.532 1.00 0.00 H new ATOM 0 HA ARG A 101 6.331 -9.735 12.642 1.00 0.00 H new ATOM 0 HB2 ARG A 101 5.864 -11.191 10.749 1.00 0.00 H new ATOM 0 HB3 ARG A 101 6.639 -12.122 12.016 1.00 0.00 H new ATOM 0 HG2 ARG A 101 4.446 -13.030 12.715 1.00 0.00 H new ATOM 0 HG3 ARG A 101 3.643 -12.068 11.490 1.00 0.00 H new ATOM 0 HD2 ARG A 101 3.799 -14.255 10.601 1.00 0.00 H new ATOM 0 HD3 ARG A 101 4.997 -13.305 9.746 1.00 0.00 H new ATOM 0 HE ARG A 101 6.204 -14.571 12.039 1.00 0.00 H new ATOM 0 HH11 ARG A 101 5.174 -15.179 8.691 1.00 0.00 H new ATOM 0 HH12 ARG A 101 6.183 -16.621 8.533 1.00 0.00 H new ATOM 0 HH21 ARG A 101 7.460 -16.413 11.817 1.00 0.00 H new ATOM 0 HH22 ARG A 101 7.473 -17.314 10.297 1.00 0.00 H new ATOM 1616 N LEU A 102 4.047 -9.212 11.196 1.00 0.00 N ATOM 1617 CA LEU A 102 2.872 -8.482 10.703 1.00 0.00 C ATOM 1618 C LEU A 102 2.450 -9.118 9.359 1.00 0.00 C ATOM 1619 O LEU A 102 3.223 -9.118 8.399 1.00 0.00 O ATOM 1620 CB LEU A 102 3.216 -6.950 10.525 1.00 0.00 C ATOM 1621 CG LEU A 102 2.122 -5.900 10.926 1.00 0.00 C ATOM 1622 CD1 LEU A 102 0.743 -6.220 10.326 1.00 0.00 C ATOM 1623 CD2 LEU A 102 2.049 -5.728 12.454 1.00 0.00 C ATOM 0 H LEU A 102 4.765 -9.343 10.483 1.00 0.00 H new ATOM 0 HA LEU A 102 2.050 -8.549 11.416 1.00 0.00 H new ATOM 0 HB2 LEU A 102 4.112 -6.739 11.109 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.471 -6.784 9.478 1.00 0.00 H new ATOM 0 HG LEU A 102 2.429 -4.947 10.495 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.026 -5.460 10.637 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.813 -6.230 9.238 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.411 -7.197 10.677 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.282 -4.994 12.701 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.800 -6.683 12.916 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.014 -5.385 12.828 1.00 0.00 H new ATOM 1635 N GLU A 103 1.235 -9.682 9.315 1.00 0.00 N ATOM 1636 CA GLU A 103 0.649 -10.242 8.086 1.00 0.00 C ATOM 1637 C GLU A 103 -0.066 -9.115 7.324 1.00 0.00 C ATOM 1638 O GLU A 103 -1.075 -8.573 7.790 1.00 0.00 O ATOM 1639 CB GLU A 103 -0.350 -11.378 8.418 1.00 0.00 C ATOM 1640 CG GLU A 103 -1.071 -11.974 7.197 1.00 0.00 C ATOM 1641 CD GLU A 103 -2.158 -13.002 7.574 1.00 0.00 C ATOM 1642 OE1 GLU A 103 -1.835 -14.204 7.711 1.00 0.00 O ATOM 1643 OE2 GLU A 103 -3.336 -12.615 7.737 1.00 0.00 O ATOM 0 H GLU A 103 0.629 -9.764 10.131 1.00 0.00 H new ATOM 0 HA GLU A 103 1.442 -10.665 7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 103 0.185 -12.176 8.932 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.097 -10.995 9.113 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.527 -11.167 6.623 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.337 -12.452 6.548 1.00 0.00 H new ATOM 1650 N ILE A 104 0.476 -8.744 6.167 1.00 0.00 N ATOM 1651 CA ILE A 104 -0.086 -7.668 5.337 1.00 0.00 C ATOM 1652 C ILE A 104 -0.999 -8.302 4.277 1.00 0.00 C ATOM 1653 O ILE A 104 -0.641 -9.320 3.685 1.00 0.00 O ATOM 1654 CB ILE A 104 1.038 -6.807 4.627 1.00 0.00 C ATOM 1655 CG1 ILE A 104 2.178 -6.420 5.625 1.00 0.00 C ATOM 1656 CG2 ILE A 104 0.431 -5.543 3.970 1.00 0.00 C ATOM 1657 CD1 ILE A 104 1.718 -5.637 6.834 1.00 0.00 C ATOM 0 H ILE A 104 1.313 -9.175 5.775 1.00 0.00 H new ATOM 0 HA ILE A 104 -0.646 -6.992 5.983 1.00 0.00 H new ATOM 0 HB ILE A 104 1.479 -7.423 3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.670 -7.331 5.965 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.926 -5.833 5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.222 -4.968 3.489 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -0.307 -5.839 3.225 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.050 -4.931 4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.575 -5.413 7.470 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.253 -4.706 6.509 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.994 -6.227 7.396 1.00 0.00 H new ATOM 1669 N LEU A 105 -2.180 -7.720 4.073 1.00 0.00 N ATOM 1670 CA LEU A 105 -3.111 -8.126 3.016 1.00 0.00 C ATOM 1671 C LEU A 105 -3.183 -6.982 2.002 1.00 0.00 C ATOM 1672 O LEU A 105 -3.396 -5.814 2.357 1.00 0.00 O ATOM 1673 CB LEU A 105 -4.522 -8.537 3.566 1.00 0.00 C ATOM 1674 CG LEU A 105 -5.259 -7.562 4.556 1.00 0.00 C ATOM 1675 CD1 LEU A 105 -6.746 -7.948 4.709 1.00 0.00 C ATOM 1676 CD2 LEU A 105 -4.572 -7.521 5.944 1.00 0.00 C ATOM 0 H LEU A 105 -2.523 -6.945 4.641 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.742 -9.030 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.177 -8.696 2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.414 -9.499 4.068 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.198 -6.563 4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.232 -7.258 5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.237 -7.896 3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.820 -8.963 5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.112 -6.836 6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.576 -8.519 6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.543 -7.179 5.831 1.00 0.00 H new ATOM 1688 N CYS A 106 -2.980 -7.345 0.744 1.00 0.00 N ATOM 1689 CA CYS A 106 -2.761 -6.412 -0.359 1.00 0.00 C ATOM 1690 C CYS A 106 -3.353 -6.988 -1.642 1.00 0.00 C ATOM 1691 O CYS A 106 -3.872 -8.093 -1.656 1.00 0.00 O ATOM 1692 CB CYS A 106 -1.246 -6.127 -0.552 1.00 0.00 C ATOM 1693 SG CYS A 106 -0.436 -5.374 0.868 1.00 0.00 S ATOM 0 H CYS A 106 -2.962 -8.322 0.451 1.00 0.00 H new ATOM 0 HA CYS A 106 -3.256 -5.470 -0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -0.741 -7.064 -0.787 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -1.120 -5.472 -1.414 1.00 0.00 H new ATOM 0 HG CYS A 106 0.370 -6.235 1.415 1.00 0.00 H new ATOM 1699 N ARG A 107 -3.310 -6.194 -2.696 1.00 0.00 N ATOM 1700 CA ARG A 107 -3.606 -6.634 -4.065 1.00 0.00 C ATOM 1701 C ARG A 107 -2.601 -5.966 -4.994 1.00 0.00 C ATOM 1702 O ARG A 107 -2.013 -4.949 -4.620 1.00 0.00 O ATOM 1703 CB ARG A 107 -5.050 -6.246 -4.482 1.00 0.00 C ATOM 1704 CG ARG A 107 -5.316 -4.723 -4.532 1.00 0.00 C ATOM 1705 CD ARG A 107 -6.728 -4.375 -5.025 1.00 0.00 C ATOM 1706 NE ARG A 107 -6.978 -2.922 -4.984 1.00 0.00 N ATOM 1707 CZ ARG A 107 -8.182 -2.336 -5.091 1.00 0.00 C ATOM 1708 NH1 ARG A 107 -9.282 -3.049 -5.287 1.00 0.00 N ATOM 1709 NH2 ARG A 107 -8.274 -1.019 -5.009 1.00 0.00 N ATOM 0 H ARG A 107 -3.065 -5.206 -2.633 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.531 -7.720 -4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.257 -6.671 -5.464 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.751 -6.702 -3.783 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.171 -4.302 -3.537 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -4.583 -4.253 -5.187 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.857 -4.738 -6.045 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.466 -4.889 -4.408 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.170 -2.312 -4.864 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.225 -4.065 -5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.185 -2.582 -5.365 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.435 -0.457 -4.866 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.184 -0.565 -5.089 1.00 0.00 H new ATOM 1723 N GLU A 108 -2.387 -6.545 -6.181 1.00 0.00 N ATOM 1724 CA GLU A 108 -1.601 -5.911 -7.253 1.00 0.00 C ATOM 1725 C GLU A 108 -2.108 -4.491 -7.561 1.00 0.00 C ATOM 1726 O GLU A 108 -3.301 -4.193 -7.395 1.00 0.00 O ATOM 1727 CB GLU A 108 -1.629 -6.810 -8.511 1.00 0.00 C ATOM 1728 CG GLU A 108 -1.017 -8.206 -8.281 1.00 0.00 C ATOM 1729 CD GLU A 108 -1.055 -9.087 -9.532 1.00 0.00 C ATOM 1730 OE1 GLU A 108 -0.164 -8.954 -10.397 1.00 0.00 O ATOM 1731 OE2 GLU A 108 -1.988 -9.896 -9.669 1.00 0.00 O ATOM 0 H GLU A 108 -2.752 -7.465 -6.428 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.569 -5.807 -6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.661 -6.924 -8.844 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.088 -6.313 -9.316 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.016 -8.094 -7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.555 -8.705 -7.475 1.00 0.00 H new ATOM 1738 N GLY A 109 -1.195 -3.634 -8.040 1.00 0.00 N ATOM 1739 CA GLY A 109 -1.492 -2.222 -8.292 1.00 0.00 C ATOM 1740 C GLY A 109 -2.086 -1.996 -9.672 1.00 0.00 C ATOM 1741 O GLY A 109 -1.706 -1.059 -10.386 1.00 0.00 O ATOM 0 H GLY A 109 -0.236 -3.901 -8.262 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.187 -1.858 -7.535 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.578 -1.637 -8.192 1.00 0.00 H new