USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 740 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 55 SER OG : rot 140:sc= 0 USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= -0.235 USER MOD Set 1.3: A 91 GLN : amide:sc= -4.69! C(o=-4.9!,f=-6!) USER MOD Set 2.1: A 30 TYR OH : rot 16:sc= -0.939 USER MOD Set 2.2: A 81 ASN : amide:sc= -5.65 K(o=-5.3,f=-15!) USER MOD Set 2.3: A 82 THR OG1 : rot -55:sc= 0.148 USER MOD Set 2.4: A 98 THR OG1 : rot 180:sc= 1.16 USER MOD Set 3.1: A 66 GLN : amide:sc= -1.59 K(o=-2.2,f=-0.61) USER MOD Set 3.2: A 80 TYR OH : rot 180:sc= -0.561 USER MOD Single : A 10 SER OG : rot 170:sc= -3.12! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0209) USER MOD Single : A 31 LYS NZ :NH3+ -145:sc= -0.681 (180deg=-2.21!) USER MOD Single : A 33 LYS NZ :NH3+ 145:sc= -0.0652 (180deg=-0.311) USER MOD Single : A 34 HIS : no HD1:sc= -2.07! C(o=-2.1!,f=-6.5!) USER MOD Single : A 39 SER OG : rot 175:sc= -1.46 USER MOD Single : A 48 ASN : amide:sc= -3.33! C(o=-3.3!,f=-12!) USER MOD Single : A 54 THR OG1 : rot -34:sc= 1.61 USER MOD Single : A 58 CYS SG : rot 150:sc= -0.333 USER MOD Single : A 60 GLN : amide:sc= -0.671 K(o=-0.67,f=-0.055) USER MOD Single : A 64 GLN : amide:sc= -0.0591 X(o=-0.059,f=0) USER MOD Single : A 68 SER OG : rot 119:sc= 1.21 USER MOD Single : A 70 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.62) USER MOD Single : A 71 THR OG1 : rot -23:sc= 1.06 USER MOD Single : A 73 SER OG : rot -73:sc= -1.42 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 88 CYS SG : rot 55:sc= -1.09 USER MOD Single : A 90 HIS : no HD1:sc= -5.76! C(o=-5.8!,f=-8.6!) USER MOD Single : A 96 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0943) USER MOD Single : A 99 LYS NZ :NH3+ 171:sc= -2.08! (180deg=-2.26!) USER MOD Single : A 104 LYS NZ :NH3+ 152:sc= -0.15 (180deg=-1.12) USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 1.163 12.517 7.683 1.00 0.00 N ATOM 117 CA LEU A 9 2.545 12.143 7.933 1.00 0.00 C ATOM 118 C LEU A 9 3.143 13.015 9.037 1.00 0.00 C ATOM 119 O LEU A 9 2.413 13.654 9.794 1.00 0.00 O ATOM 120 CB LEU A 9 3.309 12.221 6.602 1.00 0.00 C ATOM 121 CG LEU A 9 3.084 11.088 5.615 1.00 0.00 C ATOM 122 CD1 LEU A 9 3.851 11.325 4.323 1.00 0.00 C ATOM 123 CD2 LEU A 9 3.536 9.784 6.264 1.00 0.00 C ATOM 0 HA LEU A 9 2.618 11.120 8.301 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.042 13.157 6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.375 12.271 6.825 1.00 0.00 H new ATOM 0 HG LEU A 9 2.025 11.036 5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.671 10.498 3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.515 12.256 3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.917 11.391 4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.381 8.959 5.569 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.594 9.851 6.518 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.956 9.608 7.170 1.00 0.00 H new ATOM 135 N SER A 10 4.429 12.780 9.295 1.00 0.00 N ATOM 136 CA SER A 10 5.132 13.469 10.367 1.00 0.00 C ATOM 137 C SER A 10 6.423 14.090 9.843 1.00 0.00 C ATOM 138 O SER A 10 6.838 13.814 8.715 1.00 0.00 O ATOM 139 CB SER A 10 5.401 12.547 11.548 1.00 0.00 C ATOM 140 OG SER A 10 6.523 11.714 11.319 1.00 0.00 O ATOM 0 H SER A 10 5.002 12.117 8.774 1.00 0.00 H new ATOM 0 HA SER A 10 4.488 14.270 10.730 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.568 13.144 12.445 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.522 11.930 11.735 1.00 0.00 H new ATOM 0 HG SER A 10 6.764 11.254 12.150 1.00 0.00 H new ATOM 146 N GLY A 11 7.208 14.631 10.778 1.00 0.00 N ATOM 147 CA GLY A 11 8.425 15.348 10.418 1.00 0.00 C ATOM 148 C GLY A 11 9.401 14.418 9.702 1.00 0.00 C ATOM 149 O GLY A 11 9.564 14.503 8.483 1.00 0.00 O ATOM 0 H GLY A 11 7.022 14.585 11.780 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.180 16.193 9.774 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.893 15.756 11.314 1.00 0.00 H new ATOM 153 N GLY A 12 9.793 13.363 10.412 1.00 0.00 N ATOM 154 CA GLY A 12 10.638 12.324 9.846 1.00 0.00 C ATOM 155 C GLY A 12 9.881 11.541 8.777 1.00 0.00 C ATOM 156 O GLY A 12 10.455 11.130 7.771 1.00 0.00 O ATOM 0 H GLY A 12 9.535 13.208 11.387 1.00 0.00 H new ATOM 0 HA2 GLY A 12 11.533 12.771 9.412 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.970 11.648 10.634 1.00 0.00 H new ATOM 160 N GLU A 13 8.623 11.240 9.076 1.00 0.00 N ATOM 161 CA GLU A 13 7.853 10.277 8.299 1.00 0.00 C ATOM 162 C GLU A 13 7.636 10.792 6.879 1.00 0.00 C ATOM 163 O GLU A 13 7.819 10.060 5.909 1.00 0.00 O ATOM 164 CB GLU A 13 6.517 10.068 9.025 1.00 0.00 C ATOM 165 CG GLU A 13 6.314 9.149 10.086 1.00 0.00 C ATOM 166 CD GLU A 13 4.914 9.001 10.606 1.00 0.00 C ATOM 167 OE1 GLU A 13 4.092 8.784 9.690 1.00 0.00 O ATOM 168 OE2 GLU A 13 4.598 9.154 11.773 1.00 0.00 O ATOM 0 H GLU A 13 8.112 11.652 9.856 1.00 0.00 H new ATOM 0 HA GLU A 13 8.385 9.329 8.216 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.228 11.045 9.413 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.793 9.804 8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.657 8.169 9.754 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.954 9.446 10.917 1.00 0.00 H new ATOM 175 N LEU A 14 7.393 12.095 6.776 1.00 0.00 N ATOM 176 CA LEU A 14 7.420 12.785 5.494 1.00 0.00 C ATOM 177 C LEU A 14 8.809 12.680 4.865 1.00 0.00 C ATOM 178 O LEU A 14 8.940 12.306 3.700 1.00 0.00 O ATOM 179 CB LEU A 14 6.969 14.237 5.733 1.00 0.00 C ATOM 180 CG LEU A 14 6.208 14.917 4.608 1.00 0.00 C ATOM 181 CD1 LEU A 14 6.922 14.741 3.277 1.00 0.00 C ATOM 182 CD2 LEU A 14 4.806 14.322 4.540 1.00 0.00 C ATOM 0 H LEU A 14 7.174 12.696 7.571 1.00 0.00 H new ATOM 0 HA LEU A 14 6.736 12.326 4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.342 14.255 6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.854 14.835 5.953 1.00 0.00 H new ATOM 0 HG LEU A 14 6.151 15.987 4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.354 15.238 2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.918 15.179 3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.007 13.679 3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.246 14.800 3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.874 13.251 4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.294 14.488 5.488 1.00 0.00 H new ATOM 194 N ASP A 15 9.783 13.266 5.554 1.00 0.00 N ATOM 195 CA ASP A 15 11.119 13.443 5.007 1.00 0.00 C ATOM 196 C ASP A 15 11.742 12.087 4.676 1.00 0.00 C ATOM 197 O ASP A 15 12.614 11.996 3.812 1.00 0.00 O ATOM 198 CB ASP A 15 11.987 14.323 5.903 1.00 0.00 C ATOM 199 CG ASP A 15 11.560 15.780 5.910 1.00 0.00 C ATOM 200 OD1 ASP A 15 10.623 16.077 6.682 1.00 0.00 O ATOM 201 OD2 ASP A 15 12.142 16.615 5.203 1.00 0.00 O ATOM 0 H ASP A 15 9.668 13.628 6.500 1.00 0.00 H new ATOM 0 HA ASP A 15 11.046 13.988 4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.953 13.937 6.922 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.023 14.257 5.571 1.00 0.00 H new ATOM 206 N LYS A 16 11.061 11.038 5.133 1.00 0.00 N ATOM 207 CA LYS A 16 11.412 9.674 4.774 1.00 0.00 C ATOM 208 C LYS A 16 10.468 9.143 3.698 1.00 0.00 C ATOM 209 O LYS A 16 10.876 8.376 2.827 1.00 0.00 O ATOM 210 CB LYS A 16 11.367 8.734 5.981 1.00 0.00 C ATOM 211 CG LYS A 16 12.531 7.744 6.037 1.00 0.00 C ATOM 212 CD LYS A 16 13.278 7.779 7.357 1.00 0.00 C ATOM 213 CE LYS A 16 14.588 7.107 7.345 1.00 0.00 C ATOM 214 NZ LYS A 16 15.684 8.058 7.030 1.00 0.00 N ATOM 0 H LYS A 16 10.258 11.113 5.757 1.00 0.00 H new ATOM 0 HA LYS A 16 12.433 9.701 4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.365 9.330 6.894 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.430 8.178 5.962 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.152 6.736 5.867 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.226 7.963 5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.422 8.819 7.649 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.655 7.316 8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.771 6.647 8.316 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.579 6.303 6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.593 7.552 7.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.521 8.478 6.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.707 8.811 7.747 1.00 0.00 H new ATOM 228 N TRP A 17 9.276 9.728 3.654 1.00 0.00 N ATOM 229 CA TRP A 17 8.326 9.469 2.585 1.00 0.00 C ATOM 230 C TRP A 17 8.839 10.028 1.264 1.00 0.00 C ATOM 231 O TRP A 17 8.443 9.572 0.189 1.00 0.00 O ATOM 232 CB TRP A 17 6.928 9.977 2.934 1.00 0.00 C ATOM 233 CG TRP A 17 5.914 9.804 1.837 1.00 0.00 C ATOM 234 CD1 TRP A 17 5.854 10.523 0.670 1.00 0.00 C ATOM 235 CD2 TRP A 17 5.166 8.599 1.588 1.00 0.00 C ATOM 236 NE1 TRP A 17 5.063 9.876 -0.253 1.00 0.00 N ATOM 237 CE2 TRP A 17 4.612 8.708 0.293 1.00 0.00 C ATOM 238 CE3 TRP A 17 4.895 7.469 2.354 1.00 0.00 C ATOM 239 CZ2 TRP A 17 3.671 7.804 -0.185 1.00 0.00 C ATOM 240 CZ3 TRP A 17 3.916 6.600 1.905 1.00 0.00 C ATOM 241 CH2 TRP A 17 3.378 6.717 0.624 1.00 0.00 C ATOM 0 H TRP A 17 8.945 10.391 4.355 1.00 0.00 H new ATOM 0 HA TRP A 17 8.233 8.389 2.466 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.576 9.455 3.824 1.00 0.00 H new ATOM 0 HB3 TRP A 17 6.992 11.035 3.190 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.356 11.464 0.499 1.00 0.00 H new ATOM 0 HE1 TRP A 17 4.849 10.214 -1.191 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.432 7.276 3.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 3.190 7.942 -1.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.562 5.817 2.559 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.719 5.945 0.254 1.00 0.00 H new ATOM 252 N GLU A 18 9.900 10.836 1.346 1.00 0.00 N ATOM 253 CA GLU A 18 10.261 11.687 0.209 1.00 0.00 C ATOM 254 C GLU A 18 11.300 11.009 -0.669 1.00 0.00 C ATOM 255 O GLU A 18 12.045 11.676 -1.396 1.00 0.00 O ATOM 256 CB GLU A 18 10.788 13.007 0.787 1.00 0.00 C ATOM 257 CG GLU A 18 11.115 14.151 0.014 1.00 0.00 C ATOM 258 CD GLU A 18 12.554 14.576 -0.007 1.00 0.00 C ATOM 259 OE1 GLU A 18 12.829 15.354 0.932 1.00 0.00 O ATOM 260 OE2 GLU A 18 13.357 14.233 -0.857 1.00 0.00 O ATOM 0 H GLU A 18 10.508 10.919 2.161 1.00 0.00 H new ATOM 0 HA GLU A 18 9.396 11.872 -0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.045 13.336 1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.689 12.753 1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.803 13.965 -1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.521 14.988 0.381 1.00 0.00 H new ATOM 267 N LYS A 19 11.263 9.681 -0.709 1.00 0.00 N ATOM 268 CA LYS A 19 11.910 8.916 -1.775 1.00 0.00 C ATOM 269 C LYS A 19 11.787 7.425 -1.482 1.00 0.00 C ATOM 270 O LYS A 19 12.632 6.841 -0.795 1.00 0.00 O ATOM 271 CB LYS A 19 13.384 9.278 -1.938 1.00 0.00 C ATOM 272 CG LYS A 19 13.770 9.693 -3.359 1.00 0.00 C ATOM 273 CD LYS A 19 15.101 9.117 -3.806 1.00 0.00 C ATOM 274 CE LYS A 19 16.273 9.628 -3.077 1.00 0.00 C ATOM 275 NZ LYS A 19 16.560 11.041 -3.431 1.00 0.00 N ATOM 0 H LYS A 19 10.789 9.107 -0.012 1.00 0.00 H new ATOM 0 HA LYS A 19 11.403 9.166 -2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.625 10.092 -1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.992 8.423 -1.642 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.991 9.370 -4.050 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.815 10.781 -3.414 1.00 0.00 H new ATOM 0 HD2 LYS A 19 15.067 8.033 -3.696 1.00 0.00 H new ATOM 0 HD3 LYS A 19 15.232 9.325 -4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 19 16.098 9.549 -2.004 1.00 0.00 H new ATOM 0 HE3 LYS A 19 17.142 9.011 -3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.440 11.344 -2.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.667 11.126 -4.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.775 11.645 -3.114 1.00 0.00 H new ATOM 289 N ILE A 20 10.563 6.901 -1.671 1.00 0.00 N ATOM 290 CA ILE A 20 10.464 5.429 -1.836 1.00 0.00 C ATOM 291 C ILE A 20 10.700 5.100 -3.308 1.00 0.00 C ATOM 292 O ILE A 20 11.114 5.986 -4.073 1.00 0.00 O ATOM 293 CB ILE A 20 9.159 4.887 -1.211 1.00 0.00 C ATOM 294 CG1 ILE A 20 9.394 4.581 0.313 1.00 0.00 C ATOM 295 CG2 ILE A 20 8.546 3.630 -1.883 1.00 0.00 C ATOM 296 CD1 ILE A 20 8.618 5.507 1.271 1.00 0.00 C ATOM 0 H ILE A 20 9.687 7.421 -1.713 1.00 0.00 H new ATOM 0 HA ILE A 20 11.238 4.901 -1.279 1.00 0.00 H new ATOM 0 HB ILE A 20 8.431 5.682 -1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.108 3.548 0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.459 4.664 0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.635 3.344 -1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.310 3.852 -2.924 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.262 2.809 -1.841 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.836 5.229 2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.920 6.541 1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.548 5.407 1.087 1.00 0.00 H new ATOM 308 N ARG A 21 10.939 3.808 -3.554 1.00 0.00 N ATOM 309 CA ARG A 21 11.154 3.326 -4.914 1.00 0.00 C ATOM 310 C ARG A 21 10.001 2.422 -5.338 1.00 0.00 C ATOM 311 O ARG A 21 9.474 1.658 -4.531 1.00 0.00 O ATOM 312 CB ARG A 21 12.482 2.568 -5.036 1.00 0.00 C ATOM 313 CG ARG A 21 12.766 1.991 -6.414 1.00 0.00 C ATOM 314 CD ARG A 21 13.508 0.700 -6.329 1.00 0.00 C ATOM 315 NE ARG A 21 14.872 0.882 -5.852 1.00 0.00 N ATOM 316 CZ ARG A 21 15.825 -0.042 -5.990 1.00 0.00 C ATOM 317 NH1 ARG A 21 15.645 -1.119 -6.749 1.00 0.00 N ATOM 318 NH2 ARG A 21 17.004 0.145 -5.396 1.00 0.00 N ATOM 0 H ARG A 21 10.987 3.087 -2.834 1.00 0.00 H new ATOM 0 HA ARG A 21 11.197 4.193 -5.573 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.295 3.242 -4.766 1.00 0.00 H new ATOM 0 HB3 ARG A 21 12.488 1.755 -4.310 1.00 0.00 H new ATOM 0 HG2 ARG A 21 11.826 1.837 -6.945 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.347 2.707 -6.996 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.978 0.021 -5.661 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.528 0.229 -7.312 1.00 0.00 H new ATOM 0 HE ARG A 21 15.111 1.759 -5.390 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.762 -1.254 -7.242 1.00 0.00 H new ATOM 0 HH12 ARG A 21 16.390 -1.811 -6.838 1.00 0.00 H new ATOM 0 HH21 ARG A 21 17.169 0.987 -4.844 1.00 0.00 H new ATOM 0 HH22 ARG A 21 17.741 -0.554 -5.494 1.00 0.00 H new ATOM 464 N TYR A 30 8.964 7.039 -5.205 1.00 0.00 N ATOM 465 CA TYR A 30 7.806 7.638 -4.563 1.00 0.00 C ATOM 466 C TYR A 30 8.156 9.091 -4.140 1.00 0.00 C ATOM 467 O TYR A 30 9.015 9.198 -3.227 1.00 0.00 O ATOM 468 CB TYR A 30 7.347 6.864 -3.324 1.00 0.00 C ATOM 469 CG TYR A 30 6.777 5.483 -3.583 1.00 0.00 C ATOM 470 CD1 TYR A 30 7.367 4.624 -4.514 1.00 0.00 C ATOM 471 CD2 TYR A 30 5.732 4.973 -2.804 1.00 0.00 C ATOM 472 CE1 TYR A 30 7.084 3.258 -4.520 1.00 0.00 C ATOM 473 CE2 TYR A 30 5.356 3.631 -2.881 1.00 0.00 C ATOM 474 CZ TYR A 30 6.094 2.760 -3.684 1.00 0.00 C ATOM 475 OH TYR A 30 5.937 1.398 -3.616 1.00 0.00 O ATOM 0 HA TYR A 30 6.990 7.618 -5.285 1.00 0.00 H new ATOM 0 HB2 TYR A 30 8.195 6.765 -2.646 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.592 7.457 -2.807 1.00 0.00 H new ATOM 0 HD1 TYR A 30 8.055 5.025 -5.243 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.206 5.632 -2.129 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.632 2.592 -5.171 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.503 3.270 -2.325 1.00 0.00 H new ATOM 0 HH TYR A 30 6.732 0.958 -3.984 1.00 0.00 H new ATOM 485 N LYS A 31 7.122 9.927 -4.210 1.00 0.00 N ATOM 486 CA LYS A 31 7.148 11.241 -3.597 1.00 0.00 C ATOM 487 C LYS A 31 5.790 11.580 -2.985 1.00 0.00 C ATOM 488 O LYS A 31 4.964 10.697 -2.760 1.00 0.00 O ATOM 489 CB LYS A 31 7.520 12.335 -4.603 1.00 0.00 C ATOM 490 CG LYS A 31 8.839 12.081 -5.332 1.00 0.00 C ATOM 491 CD LYS A 31 8.859 12.641 -6.742 1.00 0.00 C ATOM 492 CE LYS A 31 8.611 14.089 -6.836 1.00 0.00 C ATOM 493 NZ LYS A 31 7.158 14.393 -6.829 1.00 0.00 N ATOM 0 H LYS A 31 6.250 9.709 -4.692 1.00 0.00 H new ATOM 0 HA LYS A 31 7.910 11.207 -2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.721 12.426 -5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.582 13.290 -4.081 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.654 12.524 -4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.024 11.008 -5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.828 12.423 -7.190 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.108 12.119 -7.336 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.094 14.597 -6.001 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.061 14.478 -7.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.971 15.210 -7.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.629 13.568 -7.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.854 14.614 -5.859 1.00 0.00 H new ATOM 507 N LEU A 32 5.635 12.842 -2.587 1.00 0.00 N ATOM 508 CA LEU A 32 4.556 13.239 -1.697 1.00 0.00 C ATOM 509 C LEU A 32 3.525 14.096 -2.427 1.00 0.00 C ATOM 510 O LEU A 32 2.368 14.172 -2.005 1.00 0.00 O ATOM 511 CB LEU A 32 5.165 13.926 -0.466 1.00 0.00 C ATOM 512 CG LEU A 32 4.196 14.256 0.662 1.00 0.00 C ATOM 513 CD1 LEU A 32 4.051 13.079 1.615 1.00 0.00 C ATOM 514 CD2 LEU A 32 4.705 15.487 1.399 1.00 0.00 C ATOM 0 H LEU A 32 6.248 13.606 -2.871 1.00 0.00 H new ATOM 0 HA LEU A 32 4.005 12.364 -1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.950 13.284 -0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.643 14.851 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 32 3.210 14.461 0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.354 13.340 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.673 12.214 1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.022 12.839 2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.020 15.735 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.694 15.283 1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.766 16.326 0.706 1.00 0.00 H new ATOM 526 N LYS A 33 3.896 14.624 -3.596 1.00 0.00 N ATOM 527 CA LYS A 33 2.883 14.849 -4.657 1.00 0.00 C ATOM 528 C LYS A 33 2.316 13.506 -5.105 1.00 0.00 C ATOM 529 O LYS A 33 1.133 13.400 -5.454 1.00 0.00 O ATOM 530 CB LYS A 33 3.493 15.571 -5.850 1.00 0.00 C ATOM 531 CG LYS A 33 2.471 16.045 -6.887 1.00 0.00 C ATOM 532 CD LYS A 33 1.446 17.005 -6.315 1.00 0.00 C ATOM 533 CE LYS A 33 0.434 17.475 -7.275 1.00 0.00 C ATOM 534 NZ LYS A 33 -0.218 16.341 -7.975 1.00 0.00 N ATOM 0 H LYS A 33 4.848 14.898 -3.837 1.00 0.00 H new ATOM 0 HA LYS A 33 2.087 15.473 -4.251 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.055 16.433 -5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.206 14.906 -6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.996 16.531 -7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.956 15.179 -7.304 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.938 16.518 -5.483 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.968 17.870 -5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.320 18.063 -6.752 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.902 18.134 -8.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.217 16.570 -8.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.262 16.170 -8.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.157 15.487 -7.385 1.00 0.00 H new ATOM 548 N HIS A 34 2.993 12.443 -4.659 1.00 0.00 N ATOM 549 CA HIS A 34 2.724 11.108 -5.243 1.00 0.00 C ATOM 550 C HIS A 34 1.996 10.271 -4.193 1.00 0.00 C ATOM 551 O HIS A 34 1.014 9.592 -4.533 1.00 0.00 O ATOM 552 CB HIS A 34 4.024 10.446 -5.718 1.00 0.00 C ATOM 553 CG HIS A 34 3.979 8.977 -5.989 1.00 0.00 C ATOM 554 ND1 HIS A 34 4.819 8.071 -5.377 1.00 0.00 N ATOM 555 CD2 HIS A 34 3.026 8.235 -6.605 1.00 0.00 C ATOM 556 CE1 HIS A 34 4.504 6.852 -5.790 1.00 0.00 C ATOM 557 NE2 HIS A 34 3.401 6.922 -6.501 1.00 0.00 N ATOM 0 H HIS A 34 3.703 12.466 -3.927 1.00 0.00 H new ATOM 0 HA HIS A 34 2.092 11.198 -6.126 1.00 0.00 H new ATOM 0 HB2 HIS A 34 4.346 10.949 -6.630 1.00 0.00 H new ATOM 0 HB3 HIS A 34 4.791 10.628 -4.965 1.00 0.00 H new ATOM 0 HD2 HIS A 34 2.136 8.610 -7.088 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.061 5.951 -5.578 1.00 0.00 H new ATOM 0 HE2 HIS A 34 2.906 6.129 -6.908 1.00 0.00 H new ATOM 565 N ILE A 35 2.213 10.628 -2.925 1.00 0.00 N ATOM 566 CA ILE A 35 1.289 10.266 -1.853 1.00 0.00 C ATOM 567 C ILE A 35 -0.079 10.895 -2.121 1.00 0.00 C ATOM 568 O ILE A 35 -1.104 10.311 -1.764 1.00 0.00 O ATOM 569 CB ILE A 35 1.866 10.620 -0.446 1.00 0.00 C ATOM 570 CG1 ILE A 35 1.287 9.620 0.602 1.00 0.00 C ATOM 571 CG2 ILE A 35 1.652 12.083 -0.004 1.00 0.00 C ATOM 572 CD1 ILE A 35 2.165 9.449 1.862 1.00 0.00 C ATOM 0 H ILE A 35 3.022 11.168 -2.618 1.00 0.00 H new ATOM 0 HA ILE A 35 1.158 9.184 -1.843 1.00 0.00 H new ATOM 0 HB ILE A 35 2.949 10.521 -0.516 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.297 9.961 0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.158 8.647 0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.087 12.232 0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.134 12.753 -0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.584 12.300 0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.693 8.738 2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.148 9.077 1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.274 10.411 2.363 1.00 0.00 H new ATOM 584 N VAL A 36 -0.043 12.184 -2.454 1.00 0.00 N ATOM 585 CA VAL A 36 -1.267 12.981 -2.522 1.00 0.00 C ATOM 586 C VAL A 36 -2.155 12.425 -3.647 1.00 0.00 C ATOM 587 O VAL A 36 -3.288 12.012 -3.346 1.00 0.00 O ATOM 588 CB VAL A 36 -0.950 14.474 -2.644 1.00 0.00 C ATOM 589 CG1 VAL A 36 -2.176 15.331 -2.952 1.00 0.00 C ATOM 590 CG2 VAL A 36 -0.234 15.005 -1.406 1.00 0.00 C ATOM 0 H VAL A 36 0.811 12.695 -2.679 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.833 12.898 -1.594 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.279 14.556 -3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.879 16.377 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.615 15.012 -3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.910 15.217 -2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.027 16.068 -1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.866 14.860 -0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.704 14.467 -1.269 1.00 0.00 H new ATOM 600 N TRP A 37 -1.470 11.903 -4.663 1.00 0.00 N ATOM 601 CA TRP A 37 -2.098 11.063 -5.680 1.00 0.00 C ATOM 602 C TRP A 37 -2.719 9.828 -5.030 1.00 0.00 C ATOM 603 O TRP A 37 -3.770 9.356 -5.470 1.00 0.00 O ATOM 604 CB TRP A 37 -1.108 10.741 -6.792 1.00 0.00 C ATOM 605 CG TRP A 37 -1.482 9.655 -7.737 1.00 0.00 C ATOM 606 CD1 TRP A 37 -2.136 9.778 -8.933 1.00 0.00 C ATOM 607 CD2 TRP A 37 -1.103 8.271 -7.637 1.00 0.00 C ATOM 608 NE1 TRP A 37 -2.250 8.552 -9.544 1.00 0.00 N ATOM 609 CE2 TRP A 37 -1.623 7.614 -8.774 1.00 0.00 C ATOM 610 CE3 TRP A 37 -0.412 7.538 -6.678 1.00 0.00 C ATOM 611 CZ2 TRP A 37 -1.478 6.247 -8.970 1.00 0.00 C ATOM 612 CZ3 TRP A 37 -0.259 6.180 -6.877 1.00 0.00 C ATOM 613 CH2 TRP A 37 -0.704 5.559 -8.045 1.00 0.00 C ATOM 0 H TRP A 37 -0.470 12.049 -4.804 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.916 11.604 -6.156 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.941 11.650 -7.370 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.156 10.476 -6.332 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.509 10.706 -9.339 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.725 8.372 -10.428 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.006 8.018 -5.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.945 5.743 -9.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.216 5.585 -6.111 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -0.442 4.528 -8.232 1.00 0.00 H new ATOM 624 N ALA A 38 -1.879 9.126 -4.271 1.00 0.00 N ATOM 625 CA ALA A 38 -2.247 7.840 -3.695 1.00 0.00 C ATOM 626 C ALA A 38 -3.455 8.006 -2.770 1.00 0.00 C ATOM 627 O ALA A 38 -4.485 7.367 -2.951 1.00 0.00 O ATOM 628 CB ALA A 38 -1.062 7.278 -2.906 1.00 0.00 C ATOM 0 H ALA A 38 -0.933 9.432 -4.041 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.510 7.149 -4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.336 6.315 -2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.210 7.147 -3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.795 7.971 -2.108 1.00 0.00 H new ATOM 634 N SER A 39 -3.222 8.727 -1.678 1.00 0.00 N ATOM 635 CA SER A 39 -4.238 8.958 -0.669 1.00 0.00 C ATOM 636 C SER A 39 -5.458 9.652 -1.270 1.00 0.00 C ATOM 637 O SER A 39 -6.584 9.433 -0.822 1.00 0.00 O ATOM 638 CB SER A 39 -3.686 9.758 0.509 1.00 0.00 C ATOM 639 OG SER A 39 -4.716 10.135 1.403 1.00 0.00 O ATOM 0 H SER A 39 -2.324 9.165 -1.472 1.00 0.00 H new ATOM 0 HA SER A 39 -4.550 7.985 -0.291 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.942 9.163 1.038 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.178 10.649 0.140 1.00 0.00 H new ATOM 0 HG SER A 39 -4.324 10.574 2.187 1.00 0.00 H new ATOM 645 N ARG A 40 -5.237 10.334 -2.391 1.00 0.00 N ATOM 646 CA ARG A 40 -6.331 10.779 -3.247 1.00 0.00 C ATOM 647 C ARG A 40 -7.103 9.568 -3.778 1.00 0.00 C ATOM 648 O ARG A 40 -8.327 9.513 -3.664 1.00 0.00 O ATOM 649 CB ARG A 40 -5.839 11.623 -4.427 1.00 0.00 C ATOM 650 CG ARG A 40 -6.938 12.107 -5.363 1.00 0.00 C ATOM 651 CD ARG A 40 -6.376 12.683 -6.618 1.00 0.00 C ATOM 652 NE ARG A 40 -6.964 13.976 -6.940 1.00 0.00 N ATOM 653 CZ ARG A 40 -6.941 14.505 -8.165 1.00 0.00 C ATOM 654 NH1 ARG A 40 -6.548 13.800 -9.221 1.00 0.00 N ATOM 655 NH2 ARG A 40 -7.372 15.755 -8.342 1.00 0.00 N ATOM 0 H ARG A 40 -4.309 10.590 -2.727 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.983 11.405 -2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.303 12.489 -4.039 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.122 11.037 -5.002 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.600 11.276 -5.608 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.543 12.859 -4.856 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.296 12.792 -6.514 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.549 11.991 -7.443 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.416 14.503 -6.193 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.254 12.830 -9.106 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.540 14.229 -10.146 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.714 16.294 -7.546 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.360 16.172 -9.273 1.00 0.00 H new ATOM 669 N GLU A 41 -6.419 8.802 -4.624 1.00 0.00 N ATOM 670 CA GLU A 41 -7.057 7.779 -5.439 1.00 0.00 C ATOM 671 C GLU A 41 -7.744 6.744 -4.547 1.00 0.00 C ATOM 672 O GLU A 41 -8.914 6.403 -4.789 1.00 0.00 O ATOM 673 CB GLU A 41 -5.962 7.133 -6.298 1.00 0.00 C ATOM 674 CG GLU A 41 -6.184 6.485 -7.539 1.00 0.00 C ATOM 675 CD GLU A 41 -7.468 5.725 -7.701 1.00 0.00 C ATOM 676 OE1 GLU A 41 -7.705 4.987 -6.723 1.00 0.00 O ATOM 677 OE2 GLU A 41 -8.168 5.774 -8.698 1.00 0.00 O ATOM 0 H GLU A 41 -5.411 8.875 -4.762 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.827 8.211 -6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.233 7.919 -6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.473 6.398 -5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.137 7.238 -8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.359 5.793 -7.710 1.00 0.00 H new ATOM 684 N LEU A 42 -7.173 6.564 -3.358 1.00 0.00 N ATOM 685 CA LEU A 42 -7.799 5.762 -2.318 1.00 0.00 C ATOM 686 C LEU A 42 -9.157 6.362 -1.936 1.00 0.00 C ATOM 687 O LEU A 42 -10.177 5.673 -1.942 1.00 0.00 O ATOM 688 CB LEU A 42 -6.832 5.745 -1.106 1.00 0.00 C ATOM 689 CG LEU A 42 -7.395 5.091 0.146 1.00 0.00 C ATOM 690 CD1 LEU A 42 -6.642 3.817 0.478 1.00 0.00 C ATOM 691 CD2 LEU A 42 -7.327 6.072 1.307 1.00 0.00 C ATOM 0 H LEU A 42 -6.274 6.966 -3.093 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.983 4.744 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.920 5.223 -1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.550 6.771 -0.869 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.436 4.823 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.064 3.369 1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.729 3.116 -0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.591 4.049 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.731 5.603 2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.290 6.357 1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.912 6.960 1.068 1.00 0.00 H new ATOM 703 N GLU A 43 -9.078 7.535 -1.313 1.00 0.00 N ATOM 704 CA GLU A 43 -10.229 8.165 -0.683 1.00 0.00 C ATOM 705 C GLU A 43 -11.332 8.401 -1.720 1.00 0.00 C ATOM 706 O GLU A 43 -12.500 8.091 -1.448 1.00 0.00 O ATOM 707 CB GLU A 43 -9.742 9.507 -0.106 1.00 0.00 C ATOM 708 CG GLU A 43 -10.594 10.581 0.252 1.00 0.00 C ATOM 709 CD GLU A 43 -10.198 11.955 -0.197 1.00 0.00 C ATOM 710 OE1 GLU A 43 -8.995 12.202 0.037 1.00 0.00 O ATOM 711 OE2 GLU A 43 -10.966 12.759 -0.697 1.00 0.00 O ATOM 0 H GLU A 43 -8.215 8.073 -1.232 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.643 7.532 0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.172 9.262 0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.036 9.910 -0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.587 10.370 -0.145 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.681 10.594 1.338 1.00 0.00 H new ATOM 718 N ARG A 44 -10.892 8.417 -2.985 1.00 0.00 N ATOM 719 CA ARG A 44 -11.805 8.622 -4.097 1.00 0.00 C ATOM 720 C ARG A 44 -12.310 7.286 -4.632 1.00 0.00 C ATOM 721 O ARG A 44 -13.329 7.225 -5.317 1.00 0.00 O ATOM 722 CB ARG A 44 -11.148 9.420 -5.232 1.00 0.00 C ATOM 723 CG ARG A 44 -11.909 10.671 -5.649 1.00 0.00 C ATOM 724 CD ARG A 44 -11.304 11.309 -6.853 1.00 0.00 C ATOM 725 NE ARG A 44 -10.998 10.336 -7.893 1.00 0.00 N ATOM 726 CZ ARG A 44 -10.031 10.511 -8.796 1.00 0.00 C ATOM 727 NH1 ARG A 44 -9.403 11.676 -8.926 1.00 0.00 N ATOM 728 NH2 ARG A 44 -9.721 9.509 -9.620 1.00 0.00 N ATOM 0 H ARG A 44 -9.916 8.291 -3.254 1.00 0.00 H new ATOM 0 HA ARG A 44 -12.648 9.200 -3.719 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.143 9.708 -4.922 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -11.040 8.770 -6.100 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -12.947 10.413 -5.857 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -11.917 11.384 -4.825 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -11.989 12.059 -7.249 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -10.391 11.831 -6.566 1.00 0.00 H new ATOM 0 HE ARG A 44 -11.550 9.479 -7.933 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.657 12.462 -8.328 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.667 11.784 -9.624 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -10.221 8.622 -9.555 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.984 9.629 -10.315 1.00 0.00 H new ATOM 742 N PHE A 45 -11.607 6.217 -4.271 1.00 0.00 N ATOM 743 CA PHE A 45 -12.155 4.867 -4.407 1.00 0.00 C ATOM 744 C PHE A 45 -13.389 4.714 -3.528 1.00 0.00 C ATOM 745 O PHE A 45 -14.509 4.590 -4.020 1.00 0.00 O ATOM 746 CB PHE A 45 -11.144 3.748 -4.075 1.00 0.00 C ATOM 747 CG PHE A 45 -10.645 3.004 -5.286 1.00 0.00 C ATOM 748 CD1 PHE A 45 -10.197 3.776 -6.367 1.00 0.00 C ATOM 749 CD2 PHE A 45 -10.357 1.637 -5.267 1.00 0.00 C ATOM 750 CE1 PHE A 45 -9.682 3.169 -7.504 1.00 0.00 C ATOM 751 CE2 PHE A 45 -9.728 1.025 -6.356 1.00 0.00 C ATOM 752 CZ PHE A 45 -9.234 1.840 -7.399 1.00 0.00 C ATOM 0 H PHE A 45 -10.664 6.256 -3.885 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.415 4.751 -5.459 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.293 4.183 -3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.611 3.039 -3.391 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.253 4.853 -6.315 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.623 1.047 -4.402 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -9.627 3.702 -8.442 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -9.622 -0.049 -6.399 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.520 1.447 -8.108 1.00 0.00 H new ATOM 762 N ALA A 46 -13.183 4.840 -2.215 1.00 0.00 N ATOM 763 CA ALA A 46 -14.190 4.370 -1.261 1.00 0.00 C ATOM 764 C ALA A 46 -13.810 4.774 0.160 1.00 0.00 C ATOM 765 O ALA A 46 -14.286 4.177 1.128 1.00 0.00 O ATOM 766 CB ALA A 46 -14.328 2.853 -1.374 1.00 0.00 C ATOM 0 H ALA A 46 -12.350 5.253 -1.796 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.149 4.832 -1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.077 2.502 -0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.635 2.590 -2.386 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.370 2.383 -1.152 1.00 0.00 H new ATOM 772 N VAL A 47 -12.813 5.647 0.271 1.00 0.00 N ATOM 773 CA VAL A 47 -12.004 5.737 1.486 1.00 0.00 C ATOM 774 C VAL A 47 -12.017 7.157 2.032 1.00 0.00 C ATOM 775 O VAL A 47 -12.368 8.106 1.326 1.00 0.00 O ATOM 776 CB VAL A 47 -10.591 5.178 1.234 1.00 0.00 C ATOM 777 CG1 VAL A 47 -9.820 4.948 2.529 1.00 0.00 C ATOM 778 CG2 VAL A 47 -10.621 3.913 0.390 1.00 0.00 C ATOM 0 H VAL A 47 -12.545 6.302 -0.464 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.440 5.113 2.266 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.059 5.943 0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.830 4.554 2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.719 5.892 3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.359 4.234 3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.603 3.553 0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -11.203 3.147 0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.078 4.130 -0.575 1.00 0.00 H new ATOM 788 N ASN A 48 -11.899 7.264 3.357 1.00 0.00 N ATOM 789 CA ASN A 48 -11.716 8.552 4.002 1.00 0.00 C ATOM 790 C ASN A 48 -10.203 8.804 4.229 1.00 0.00 C ATOM 791 O ASN A 48 -9.414 7.851 4.355 1.00 0.00 O ATOM 792 CB ASN A 48 -12.551 8.698 5.263 1.00 0.00 C ATOM 793 CG ASN A 48 -12.300 9.994 6.013 1.00 0.00 C ATOM 794 OD1 ASN A 48 -11.160 10.291 6.399 1.00 0.00 O ATOM 795 ND2 ASN A 48 -13.372 10.740 6.277 1.00 0.00 N ATOM 0 H ASN A 48 -11.928 6.471 3.998 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.089 9.334 3.340 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.607 8.640 4.998 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.342 7.858 5.926 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.275 11.598 6.819 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.290 10.453 5.937 1.00 0.00 H new ATOM 802 N PRO A 49 -9.789 10.035 3.858 1.00 0.00 N ATOM 803 CA PRO A 49 -8.360 10.397 3.684 1.00 0.00 C ATOM 804 C PRO A 49 -7.579 10.453 4.997 1.00 0.00 C ATOM 805 O PRO A 49 -6.689 9.632 5.228 1.00 0.00 O ATOM 806 CB PRO A 49 -8.361 11.743 2.954 1.00 0.00 C ATOM 807 CG PRO A 49 -9.719 12.360 3.124 1.00 0.00 C ATOM 808 CD PRO A 49 -10.623 11.255 3.646 1.00 0.00 C ATOM 0 HA PRO A 49 -7.842 9.627 3.112 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.591 12.398 3.361 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.135 11.604 1.897 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.682 13.196 3.823 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.090 12.752 2.177 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -11.096 11.560 4.580 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.423 11.050 2.935 1.00 0.00 H new ATOM 816 N GLY A 50 -8.156 11.176 5.956 1.00 0.00 N ATOM 817 CA GLY A 50 -7.707 11.145 7.337 1.00 0.00 C ATOM 818 C GLY A 50 -7.770 9.724 7.893 1.00 0.00 C ATOM 819 O GLY A 50 -6.843 9.261 8.565 1.00 0.00 O ATOM 0 H GLY A 50 -8.948 11.798 5.792 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.686 11.521 7.401 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.329 11.805 7.942 1.00 0.00 H new ATOM 823 N LEU A 51 -8.741 8.978 7.381 1.00 0.00 N ATOM 824 CA LEU A 51 -8.947 7.594 7.793 1.00 0.00 C ATOM 825 C LEU A 51 -7.721 6.755 7.438 1.00 0.00 C ATOM 826 O LEU A 51 -7.010 6.310 8.356 1.00 0.00 O ATOM 827 CB LEU A 51 -10.249 7.124 7.122 1.00 0.00 C ATOM 828 CG LEU A 51 -11.105 6.121 7.863 1.00 0.00 C ATOM 829 CD1 LEU A 51 -12.339 5.741 7.052 1.00 0.00 C ATOM 830 CD2 LEU A 51 -10.277 4.877 8.161 1.00 0.00 C ATOM 0 H LEU A 51 -9.401 9.309 6.677 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.058 7.487 8.872 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.860 8.005 6.925 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.990 6.693 6.155 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.443 6.575 8.795 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.934 5.019 7.611 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.937 6.632 6.860 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.030 5.300 6.104 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.890 4.151 8.695 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.929 4.439 7.226 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.419 5.150 8.776 1.00 0.00 H new ATOM 842 N LEU A 52 -7.200 7.030 6.236 1.00 0.00 N ATOM 843 CA LEU A 52 -6.006 6.335 5.758 1.00 0.00 C ATOM 844 C LEU A 52 -4.758 6.982 6.344 1.00 0.00 C ATOM 845 O LEU A 52 -3.759 6.290 6.584 1.00 0.00 O ATOM 846 CB LEU A 52 -6.083 6.244 4.240 1.00 0.00 C ATOM 847 CG LEU A 52 -4.958 6.741 3.370 1.00 0.00 C ATOM 848 CD1 LEU A 52 -4.775 8.248 3.476 1.00 0.00 C ATOM 849 CD2 LEU A 52 -3.664 6.021 3.730 1.00 0.00 C ATOM 0 H LEU A 52 -7.582 7.719 5.588 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.947 5.304 6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.237 5.194 3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.982 6.779 3.934 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.219 6.521 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.953 8.561 2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.692 8.749 3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.549 8.515 4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.856 6.386 3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.420 6.212 4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.789 4.949 3.576 1.00 0.00 H new ATOM 861 N GLU A 53 -4.965 8.155 6.943 1.00 0.00 N ATOM 862 CA GLU A 53 -3.861 8.905 7.537 1.00 0.00 C ATOM 863 C GLU A 53 -3.450 8.276 8.860 1.00 0.00 C ATOM 864 O GLU A 53 -2.277 8.276 9.227 1.00 0.00 O ATOM 865 CB GLU A 53 -4.320 10.355 7.684 1.00 0.00 C ATOM 866 CG GLU A 53 -4.236 11.158 8.847 1.00 0.00 C ATOM 867 CD GLU A 53 -5.523 11.539 9.516 1.00 0.00 C ATOM 868 OE1 GLU A 53 -6.140 12.564 9.278 1.00 0.00 O ATOM 869 OE2 GLU A 53 -5.827 10.750 10.438 1.00 0.00 O ATOM 0 H GLU A 53 -5.878 8.602 7.029 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.973 8.880 6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.787 10.908 6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.374 10.355 7.407 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.620 10.632 9.576 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.708 12.075 8.586 1.00 0.00 H new ATOM 876 N THR A 54 -4.430 7.710 9.561 1.00 0.00 N ATOM 877 CA THR A 54 -4.149 6.775 10.645 1.00 0.00 C ATOM 878 C THR A 54 -3.647 5.450 10.070 1.00 0.00 C ATOM 879 O THR A 54 -4.085 5.040 8.990 1.00 0.00 O ATOM 880 CB THR A 54 -5.412 6.549 11.570 1.00 0.00 C ATOM 881 OG1 THR A 54 -6.326 5.684 10.838 1.00 0.00 O ATOM 882 CG2 THR A 54 -6.076 7.844 12.042 1.00 0.00 C ATOM 0 H THR A 54 -5.422 7.882 9.398 1.00 0.00 H new ATOM 0 HA THR A 54 -3.370 7.208 11.273 1.00 0.00 H new ATOM 0 HB THR A 54 -5.097 6.077 12.501 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.271 5.885 9.880 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.934 7.605 12.671 1.00 0.00 H new ATOM 0 HG22 THR A 54 -5.359 8.433 12.614 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.409 8.418 11.177 1.00 0.00 H new ATOM 890 N SER A 55 -3.015 4.658 10.932 1.00 0.00 N ATOM 891 CA SER A 55 -2.805 3.242 10.692 1.00 0.00 C ATOM 892 C SER A 55 -4.133 2.524 10.476 1.00 0.00 C ATOM 893 O SER A 55 -4.363 1.927 9.421 1.00 0.00 O ATOM 894 CB SER A 55 -2.009 2.594 11.822 1.00 0.00 C ATOM 895 OG SER A 55 -0.725 3.176 11.947 1.00 0.00 O ATOM 0 H SER A 55 -2.634 4.987 11.819 1.00 0.00 H new ATOM 0 HA SER A 55 -2.215 3.146 9.780 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.552 2.702 12.761 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.909 1.525 11.633 1.00 0.00 H new ATOM 0 HG SER A 55 -0.502 3.275 12.896 1.00 0.00 H new ATOM 901 N GLU A 56 -5.102 2.840 11.336 1.00 0.00 N ATOM 902 CA GLU A 56 -6.293 2.009 11.449 1.00 0.00 C ATOM 903 C GLU A 56 -7.068 1.999 10.135 1.00 0.00 C ATOM 904 O GLU A 56 -7.424 0.928 9.631 1.00 0.00 O ATOM 905 CB GLU A 56 -7.141 2.567 12.595 1.00 0.00 C ATOM 906 CG GLU A 56 -7.893 1.777 13.505 1.00 0.00 C ATOM 907 CD GLU A 56 -9.039 2.442 14.205 1.00 0.00 C ATOM 908 OE1 GLU A 56 -9.094 3.636 14.447 1.00 0.00 O ATOM 909 OE2 GLU A 56 -9.965 1.643 14.461 1.00 0.00 O ATOM 0 H GLU A 56 -5.084 3.652 11.953 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.021 0.975 11.661 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.465 3.166 13.205 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.851 3.255 12.136 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.283 0.916 12.962 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.210 1.394 14.264 1.00 0.00 H new ATOM 916 N GLY A 57 -7.012 3.131 9.437 1.00 0.00 N ATOM 917 CA GLY A 57 -7.735 3.289 8.185 1.00 0.00 C ATOM 918 C GLY A 57 -6.910 2.739 7.022 1.00 0.00 C ATOM 919 O GLY A 57 -7.395 1.912 6.249 1.00 0.00 O ATOM 0 H GLY A 57 -6.473 3.950 9.720 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.690 2.767 8.241 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.957 4.343 8.016 1.00 0.00 H new ATOM 923 N CYS A 58 -5.604 2.973 7.106 1.00 0.00 N ATOM 924 CA CYS A 58 -4.646 2.371 6.191 1.00 0.00 C ATOM 925 C CYS A 58 -4.705 0.846 6.288 1.00 0.00 C ATOM 926 O CYS A 58 -4.555 0.144 5.295 1.00 0.00 O ATOM 927 CB CYS A 58 -3.235 2.888 6.469 1.00 0.00 C ATOM 928 SG CYS A 58 -2.200 3.081 5.003 1.00 0.00 S ATOM 0 H CYS A 58 -5.184 3.583 7.807 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.910 2.657 5.173 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.309 3.851 6.974 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.741 2.203 7.158 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.352 4.048 5.194 1.00 0.00 H new ATOM 933 N ARG A 59 -5.197 0.391 7.442 1.00 0.00 N ATOM 934 CA ARG A 59 -5.370 -1.034 7.691 1.00 0.00 C ATOM 935 C ARG A 59 -6.729 -1.497 7.175 1.00 0.00 C ATOM 936 O ARG A 59 -6.918 -2.671 6.865 1.00 0.00 O ATOM 937 CB ARG A 59 -5.255 -1.358 9.187 1.00 0.00 C ATOM 938 CG ARG A 59 -4.387 -2.564 9.512 1.00 0.00 C ATOM 939 CD ARG A 59 -4.662 -3.090 10.880 1.00 0.00 C ATOM 940 NE ARG A 59 -5.851 -3.930 10.916 1.00 0.00 N ATOM 941 CZ ARG A 59 -6.156 -4.723 11.945 1.00 0.00 C ATOM 942 NH1 ARG A 59 -5.290 -4.949 12.929 1.00 0.00 N ATOM 943 NH2 ARG A 59 -7.334 -5.347 11.960 1.00 0.00 N ATOM 0 H ARG A 59 -5.481 0.991 8.216 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.577 -1.561 7.161 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.851 -0.487 9.703 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.255 -1.529 9.586 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.566 -3.349 8.778 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.336 -2.287 9.433 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.803 -3.664 11.227 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.787 -2.256 11.570 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.482 -3.911 10.115 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.369 -4.512 12.908 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.547 -5.559 13.705 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.991 -5.216 11.191 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.579 -5.956 12.741 1.00 0.00 H new ATOM 957 N GLN A 60 -7.727 -0.630 7.380 1.00 0.00 N ATOM 958 CA GLN A 60 -9.064 -0.896 6.853 1.00 0.00 C ATOM 959 C GLN A 60 -9.012 -0.921 5.320 1.00 0.00 C ATOM 960 O GLN A 60 -9.546 -1.863 4.717 1.00 0.00 O ATOM 961 CB GLN A 60 -10.107 0.100 7.350 1.00 0.00 C ATOM 962 CG GLN A 60 -11.530 -0.247 6.951 1.00 0.00 C ATOM 963 CD GLN A 60 -12.087 -1.421 7.717 1.00 0.00 C ATOM 964 OE1 GLN A 60 -12.670 -2.347 7.159 1.00 0.00 O ATOM 965 NE2 GLN A 60 -11.899 -1.379 9.034 1.00 0.00 N ATOM 0 H GLN A 60 -7.635 0.244 7.897 1.00 0.00 H new ATOM 0 HA GLN A 60 -9.379 -1.871 7.226 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.049 0.159 8.437 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.863 1.090 6.963 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.169 0.621 7.113 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.558 -0.470 5.884 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.409 -0.589 9.454 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.245 -2.136 9.623 1.00 0.00 H new ATOM 974 N ILE A 61 -7.972 -0.255 4.806 1.00 0.00 N ATOM 975 CA ILE A 61 -7.672 -0.296 3.384 1.00 0.00 C ATOM 976 C ILE A 61 -6.839 -1.522 3.043 1.00 0.00 C ATOM 977 O ILE A 61 -7.353 -2.482 2.464 1.00 0.00 O ATOM 978 CB ILE A 61 -7.040 1.048 2.893 1.00 0.00 C ATOM 979 CG1 ILE A 61 -8.003 2.234 3.141 1.00 0.00 C ATOM 980 CG2 ILE A 61 -6.545 0.980 1.429 1.00 0.00 C ATOM 981 CD1 ILE A 61 -9.497 1.987 2.842 1.00 0.00 C ATOM 0 H ILE A 61 -7.330 0.315 5.357 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.607 -0.398 2.832 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.145 1.221 3.491 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.910 2.536 4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.669 3.076 2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.117 1.941 1.145 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.786 0.203 1.337 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.383 0.748 0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -10.065 2.892 3.056 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.619 1.721 1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.863 1.173 3.467 1.00 0.00 H new ATOM 993 N LEU A 62 -5.653 -1.606 3.642 1.00 0.00 N ATOM 994 CA LEU A 62 -4.659 -2.579 3.205 1.00 0.00 C ATOM 995 C LEU A 62 -5.203 -4.004 3.404 1.00 0.00 C ATOM 996 O LEU A 62 -5.012 -4.844 2.511 1.00 0.00 O ATOM 997 CB LEU A 62 -3.359 -2.313 3.968 1.00 0.00 C ATOM 998 CG LEU A 62 -2.059 -2.761 3.325 1.00 0.00 C ATOM 999 CD1 LEU A 62 -1.842 -2.089 1.978 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -0.909 -2.423 4.270 1.00 0.00 C ATOM 0 H LEU A 62 -5.360 -1.018 4.423 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.445 -2.481 2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.291 -1.241 4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.436 -2.798 4.941 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.104 -3.836 3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.902 -2.433 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.663 -2.343 1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.805 -1.008 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.034 -2.738 3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.886 -1.347 4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.053 -2.942 5.218 1.00 0.00 H new ATOM 1012 N GLY A 63 -6.266 -4.069 4.210 1.00 0.00 N ATOM 1013 CA GLY A 63 -7.055 -5.279 4.353 1.00 0.00 C ATOM 1014 C GLY A 63 -8.018 -5.443 3.181 1.00 0.00 C ATOM 1015 O GLY A 63 -8.095 -6.515 2.577 1.00 0.00 O ATOM 0 H GLY A 63 -6.596 -3.286 4.775 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.394 -6.144 4.410 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.615 -5.244 5.287 1.00 0.00 H new ATOM 1019 N GLN A 64 -8.915 -4.472 3.043 1.00 0.00 N ATOM 1020 CA GLN A 64 -9.937 -4.498 2.014 1.00 0.00 C ATOM 1021 C GLN A 64 -9.311 -4.536 0.620 1.00 0.00 C ATOM 1022 O GLN A 64 -10.025 -4.676 -0.377 1.00 0.00 O ATOM 1023 CB GLN A 64 -10.918 -3.324 2.131 1.00 0.00 C ATOM 1024 CG GLN A 64 -12.367 -3.719 1.932 1.00 0.00 C ATOM 1025 CD GLN A 64 -13.230 -2.582 1.440 1.00 0.00 C ATOM 1026 OE1 GLN A 64 -14.043 -2.731 0.532 1.00 0.00 O ATOM 1027 NE2 GLN A 64 -13.137 -1.457 2.146 1.00 0.00 N ATOM 0 H GLN A 64 -8.950 -3.648 3.643 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.510 -5.413 2.166 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.807 -2.866 3.114 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.653 -2.566 1.394 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.418 -4.541 1.218 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -12.769 -4.090 2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.446 -1.379 2.892 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.757 -0.674 1.941 1.00 0.00 H new ATOM 1036 N LEU A 65 -8.040 -4.158 0.545 1.00 0.00 N ATOM 1037 CA LEU A 65 -7.441 -3.677 -0.700 1.00 0.00 C ATOM 1038 C LEU A 65 -6.596 -4.788 -1.324 1.00 0.00 C ATOM 1039 O LEU A 65 -6.828 -5.165 -2.474 1.00 0.00 O ATOM 1040 CB LEU A 65 -6.647 -2.405 -0.378 1.00 0.00 C ATOM 1041 CG LEU A 65 -6.337 -1.462 -1.527 1.00 0.00 C ATOM 1042 CD1 LEU A 65 -7.576 -0.702 -1.973 1.00 0.00 C ATOM 1043 CD2 LEU A 65 -5.256 -0.485 -1.069 1.00 0.00 C ATOM 0 H LEU A 65 -7.398 -4.175 1.337 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.194 -3.419 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.200 -1.845 0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.702 -2.704 0.076 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.989 -2.042 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.318 -0.036 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.337 -1.409 -2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.962 -0.115 -1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.019 0.202 -1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.617 0.080 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.360 -1.039 -0.789 1.00 0.00 H new ATOM 1055 N GLN A 66 -5.945 -5.556 -0.441 1.00 0.00 N ATOM 1056 CA GLN A 66 -5.045 -6.608 -0.882 1.00 0.00 C ATOM 1057 C GLN A 66 -5.830 -7.661 -1.704 1.00 0.00 C ATOM 1058 O GLN A 66 -5.669 -7.737 -2.939 1.00 0.00 O ATOM 1059 CB GLN A 66 -4.295 -7.284 0.262 1.00 0.00 C ATOM 1060 CG GLN A 66 -2.789 -7.294 0.084 1.00 0.00 C ATOM 1061 CD GLN A 66 -2.236 -8.667 -0.224 1.00 0.00 C ATOM 1062 OE1 GLN A 66 -1.050 -8.939 -0.020 1.00 0.00 O ATOM 1063 NE2 GLN A 66 -3.006 -9.418 -1.012 1.00 0.00 N ATOM 0 H GLN A 66 -6.029 -5.464 0.571 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.288 -6.132 -1.506 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.538 -6.775 1.195 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.647 -8.311 0.358 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.520 -6.612 -0.722 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.320 -6.915 0.992 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.983 -9.166 -1.160 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.618 -10.245 -1.466 1.00 0.00 H new ATOM 1072 N PRO A 67 -6.912 -8.175 -1.083 1.00 0.00 N ATOM 1073 CA PRO A 67 -8.009 -8.862 -1.818 1.00 0.00 C ATOM 1074 C PRO A 67 -8.482 -8.096 -3.050 1.00 0.00 C ATOM 1075 O PRO A 67 -8.405 -8.582 -4.179 1.00 0.00 O ATOM 1076 CB PRO A 67 -9.120 -9.109 -0.807 1.00 0.00 C ATOM 1077 CG PRO A 67 -8.591 -8.807 0.566 1.00 0.00 C ATOM 1078 CD PRO A 67 -7.311 -8.014 0.346 1.00 0.00 C ATOM 0 HA PRO A 67 -7.652 -9.806 -2.231 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.981 -8.478 -1.028 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.460 -10.143 -0.863 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.313 -8.233 1.147 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.393 -9.724 1.120 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.469 -6.962 0.582 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.521 -8.374 1.006 1.00 0.00 H new ATOM 1086 N SER A 68 -8.853 -6.837 -2.823 1.00 0.00 N ATOM 1087 CA SER A 68 -9.574 -6.066 -3.819 1.00 0.00 C ATOM 1088 C SER A 68 -8.651 -5.557 -4.916 1.00 0.00 C ATOM 1089 O SER A 68 -9.112 -4.961 -5.893 1.00 0.00 O ATOM 1090 CB SER A 68 -10.352 -4.918 -3.179 1.00 0.00 C ATOM 1091 OG SER A 68 -11.451 -5.397 -2.428 1.00 0.00 O ATOM 0 H SER A 68 -8.663 -6.334 -1.956 1.00 0.00 H new ATOM 0 HA SER A 68 -10.294 -6.739 -4.285 1.00 0.00 H new ATOM 0 HB2 SER A 68 -9.689 -4.343 -2.532 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.707 -4.240 -3.955 1.00 0.00 H new ATOM 0 HG SER A 68 -11.341 -5.141 -1.488 1.00 0.00 H new ATOM 1097 N LEU A 69 -7.400 -6.003 -4.865 1.00 0.00 N ATOM 1098 CA LEU A 69 -6.426 -5.689 -5.898 1.00 0.00 C ATOM 1099 C LEU A 69 -6.631 -6.617 -7.103 1.00 0.00 C ATOM 1100 O LEU A 69 -6.813 -6.115 -8.221 1.00 0.00 O ATOM 1101 CB LEU A 69 -5.025 -5.792 -5.273 1.00 0.00 C ATOM 1102 CG LEU A 69 -4.658 -4.718 -4.264 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -3.400 -5.079 -3.491 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -4.459 -3.399 -5.005 1.00 0.00 C ATOM 0 H LEU A 69 -7.037 -6.587 -4.112 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.549 -4.675 -6.277 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.938 -6.763 -4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.289 -5.772 -6.077 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.467 -4.627 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.170 -4.286 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.559 -6.014 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.568 -5.196 -4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.195 -2.618 -4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.658 -3.510 -5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.382 -3.126 -5.517 1.00 0.00 H new ATOM 1116 N GLN A 70 -7.100 -7.825 -6.785 1.00 0.00 N ATOM 1117 CA GLN A 70 -7.587 -8.753 -7.793 1.00 0.00 C ATOM 1118 C GLN A 70 -8.765 -8.149 -8.550 1.00 0.00 C ATOM 1119 O GLN A 70 -9.098 -8.577 -9.651 1.00 0.00 O ATOM 1120 CB GLN A 70 -7.934 -10.130 -7.227 1.00 0.00 C ATOM 1121 CG GLN A 70 -9.178 -10.154 -6.363 1.00 0.00 C ATOM 1122 CD GLN A 70 -10.262 -11.051 -6.908 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -10.671 -10.948 -8.062 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -10.791 -11.898 -6.028 1.00 0.00 N ATOM 0 H GLN A 70 -7.151 -8.180 -5.830 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.767 -8.918 -8.492 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.067 -10.827 -8.054 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.090 -10.491 -6.639 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.910 -10.487 -5.360 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.567 -9.140 -6.269 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.417 -11.948 -5.080 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.570 -12.497 -6.301 1.00 0.00 H new ATOM 1133 N THR A 71 -9.343 -7.098 -7.969 1.00 0.00 N ATOM 1134 CA THR A 71 -10.625 -6.586 -8.440 1.00 0.00 C ATOM 1135 C THR A 71 -10.497 -5.137 -8.892 1.00 0.00 C ATOM 1136 O THR A 71 -11.418 -4.577 -9.488 1.00 0.00 O ATOM 1137 CB THR A 71 -11.755 -6.748 -7.343 1.00 0.00 C ATOM 1138 OG1 THR A 71 -11.562 -5.687 -6.366 1.00 0.00 O ATOM 1139 CG2 THR A 71 -11.793 -8.137 -6.699 1.00 0.00 C ATOM 0 H THR A 71 -8.946 -6.590 -7.179 1.00 0.00 H new ATOM 0 HA THR A 71 -10.924 -7.183 -9.302 1.00 0.00 H new ATOM 0 HB THR A 71 -12.732 -6.658 -7.818 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.632 -5.379 -6.397 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.592 -8.173 -5.958 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.976 -8.889 -7.467 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.838 -8.339 -6.213 1.00 0.00 H new ATOM 1147 N GLY A 72 -9.437 -4.487 -8.426 1.00 0.00 N ATOM 1148 CA GLY A 72 -9.283 -3.047 -8.558 1.00 0.00 C ATOM 1149 C GLY A 72 -8.492 -2.715 -9.818 1.00 0.00 C ATOM 1150 O GLY A 72 -9.063 -2.438 -10.871 1.00 0.00 O ATOM 0 H GLY A 72 -8.662 -4.945 -7.947 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.263 -2.572 -8.599 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.771 -2.647 -7.683 1.00 0.00 H new ATOM 1154 N SER A 73 -7.173 -2.879 -9.723 1.00 0.00 N ATOM 1155 CA SER A 73 -6.307 -2.857 -10.894 1.00 0.00 C ATOM 1156 C SER A 73 -4.848 -3.053 -10.462 1.00 0.00 C ATOM 1157 O SER A 73 -4.515 -2.807 -9.300 1.00 0.00 O ATOM 1158 CB SER A 73 -6.462 -1.575 -11.699 1.00 0.00 C ATOM 1159 OG SER A 73 -6.404 -0.430 -10.866 1.00 0.00 O ATOM 0 H SER A 73 -6.682 -3.029 -8.842 1.00 0.00 H new ATOM 0 HA SER A 73 -6.606 -3.677 -11.547 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.676 -1.519 -12.452 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.413 -1.591 -12.232 1.00 0.00 H new ATOM 0 HG SER A 73 -7.232 -0.362 -10.346 1.00 0.00 H new ATOM 1165 N GLU A 74 -3.971 -3.157 -11.458 1.00 0.00 N ATOM 1166 CA GLU A 74 -2.550 -2.876 -11.272 1.00 0.00 C ATOM 1167 C GLU A 74 -2.361 -1.419 -10.847 1.00 0.00 C ATOM 1168 O GLU A 74 -1.430 -1.102 -10.106 1.00 0.00 O ATOM 1169 CB GLU A 74 -1.848 -3.162 -12.603 1.00 0.00 C ATOM 1170 CG GLU A 74 -2.173 -2.543 -13.838 1.00 0.00 C ATOM 1171 CD GLU A 74 -1.663 -3.199 -15.087 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -0.606 -3.803 -15.160 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -2.498 -3.157 -16.016 1.00 0.00 O ATOM 0 H GLU A 74 -4.222 -3.435 -12.407 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.123 -3.502 -10.488 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.790 -2.960 -12.435 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.945 -4.235 -12.770 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.259 -2.479 -13.909 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.794 -1.521 -13.814 1.00 0.00 H new ATOM 1180 N GLU A 75 -3.438 -0.651 -11.019 1.00 0.00 N ATOM 1181 CA GLU A 75 -3.450 0.746 -10.616 1.00 0.00 C ATOM 1182 C GLU A 75 -3.811 0.874 -9.139 1.00 0.00 C ATOM 1183 O GLU A 75 -3.282 1.737 -8.438 1.00 0.00 O ATOM 1184 CB GLU A 75 -4.460 1.480 -11.507 1.00 0.00 C ATOM 1185 CG GLU A 75 -4.264 2.775 -12.052 1.00 0.00 C ATOM 1186 CD GLU A 75 -5.120 3.882 -11.512 1.00 0.00 C ATOM 1187 OE1 GLU A 75 -4.965 4.041 -10.282 1.00 0.00 O ATOM 1188 OE2 GLU A 75 -5.922 4.514 -12.176 1.00 0.00 O ATOM 0 H GLU A 75 -4.310 -0.978 -11.435 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.462 1.190 -10.738 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.647 0.822 -12.355 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.385 1.532 -10.933 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.220 3.051 -11.901 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.426 2.717 -13.128 1.00 0.00 H new ATOM 1195 N LEU A 76 -4.582 -0.094 -8.648 1.00 0.00 N ATOM 1196 CA LEU A 76 -4.734 -0.300 -7.216 1.00 0.00 C ATOM 1197 C LEU A 76 -3.443 -0.851 -6.617 1.00 0.00 C ATOM 1198 O LEU A 76 -3.283 -0.888 -5.396 1.00 0.00 O ATOM 1199 CB LEU A 76 -5.959 -1.185 -6.968 1.00 0.00 C ATOM 1200 CG LEU A 76 -6.937 -0.791 -5.882 1.00 0.00 C ATOM 1201 CD1 LEU A 76 -7.889 -1.943 -5.560 1.00 0.00 C ATOM 1202 CD2 LEU A 76 -6.194 -0.384 -4.615 1.00 0.00 C ATOM 0 H LEU A 76 -5.111 -0.748 -9.225 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.913 0.646 -6.706 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.514 -1.250 -7.904 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.600 -2.189 -6.740 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.516 0.056 -6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.582 -1.635 -4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.450 -2.212 -6.455 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.315 -2.804 -5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.913 -0.104 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.592 -1.221 -4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.545 0.465 -4.831 1.00 0.00 H new ATOM 1214 N ARG A 77 -2.611 -1.416 -7.486 1.00 0.00 N ATOM 1215 CA ARG A 77 -1.386 -2.075 -7.055 1.00 0.00 C ATOM 1216 C ARG A 77 -0.335 -1.042 -6.662 1.00 0.00 C ATOM 1217 O ARG A 77 0.279 -1.138 -5.601 1.00 0.00 O ATOM 1218 CB ARG A 77 -0.825 -3.001 -8.140 1.00 0.00 C ATOM 1219 CG ARG A 77 -0.137 -4.252 -7.612 1.00 0.00 C ATOM 1220 CD ARG A 77 1.236 -4.405 -8.173 1.00 0.00 C ATOM 1221 NE ARG A 77 2.250 -4.476 -7.131 1.00 0.00 N ATOM 1222 CZ ARG A 77 2.504 -5.585 -6.432 1.00 0.00 C ATOM 1223 NH1 ARG A 77 1.713 -6.651 -6.507 1.00 0.00 N ATOM 1224 NH2 ARG A 77 3.545 -5.603 -5.598 1.00 0.00 N ATOM 0 H ARG A 77 -2.764 -1.430 -8.494 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.635 -2.686 -6.187 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.639 -3.301 -8.800 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.114 -2.440 -8.746 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.083 -4.206 -6.524 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.733 -5.129 -7.864 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.279 -5.308 -8.782 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.453 -3.565 -8.832 1.00 0.00 H new ATOM 0 HE ARG A 77 2.793 -3.638 -6.925 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.890 -6.634 -7.109 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.929 -7.486 -5.963 1.00 0.00 H new ATOM 0 HH21 ARG A 77 4.135 -4.777 -5.501 1.00 0.00 H new ATOM 0 HH22 ARG A 77 3.751 -6.443 -5.058 1.00 0.00 H new ATOM 1238 N SER A 78 -0.261 0.021 -7.457 1.00 0.00 N ATOM 1239 CA SER A 78 0.593 1.157 -7.150 1.00 0.00 C ATOM 1240 C SER A 78 0.011 1.956 -5.981 1.00 0.00 C ATOM 1241 O SER A 78 0.697 2.159 -4.974 1.00 0.00 O ATOM 1242 CB SER A 78 0.808 2.047 -8.366 1.00 0.00 C ATOM 1243 OG SER A 78 1.560 3.201 -8.040 1.00 0.00 O ATOM 0 H SER A 78 -0.788 0.117 -8.325 1.00 0.00 H new ATOM 0 HA SER A 78 1.570 0.772 -6.859 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.324 1.483 -9.144 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.157 2.345 -8.775 1.00 0.00 H new ATOM 0 HG SER A 78 1.681 3.750 -8.843 1.00 0.00 H new ATOM 1249 N LEU A 79 -1.317 2.023 -5.963 1.00 0.00 N ATOM 1250 CA LEU A 79 -2.061 2.514 -4.813 1.00 0.00 C ATOM 1251 C LEU A 79 -1.751 1.675 -3.576 1.00 0.00 C ATOM 1252 O LEU A 79 -1.601 2.197 -2.475 1.00 0.00 O ATOM 1253 CB LEU A 79 -3.553 2.511 -5.194 1.00 0.00 C ATOM 1254 CG LEU A 79 -4.101 3.715 -5.929 1.00 0.00 C ATOM 1255 CD1 LEU A 79 -3.168 4.186 -7.034 1.00 0.00 C ATOM 1256 CD2 LEU A 79 -5.455 3.339 -6.532 1.00 0.00 C ATOM 0 H LEU A 79 -1.905 1.738 -6.746 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.770 3.532 -4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.739 1.631 -5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.131 2.387 -4.278 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.202 4.535 -5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.603 5.052 -7.533 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.205 4.461 -6.604 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.026 3.383 -7.758 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.866 4.196 -7.066 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.327 2.507 -7.224 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.139 3.046 -5.736 1.00 0.00 H new ATOM 1268 N TYR A 80 -1.588 0.376 -3.802 1.00 0.00 N ATOM 1269 CA TYR A 80 -1.408 -0.575 -2.714 1.00 0.00 C ATOM 1270 C TYR A 80 -0.049 -0.368 -2.052 1.00 0.00 C ATOM 1271 O TYR A 80 0.113 -0.624 -0.859 1.00 0.00 O ATOM 1272 CB TYR A 80 -1.576 -2.024 -3.212 1.00 0.00 C ATOM 1273 CG TYR A 80 -1.287 -3.092 -2.185 1.00 0.00 C ATOM 1274 CD1 TYR A 80 -2.167 -3.350 -1.131 1.00 0.00 C ATOM 1275 CD2 TYR A 80 -0.113 -3.844 -2.258 1.00 0.00 C ATOM 1276 CE1 TYR A 80 -1.913 -4.368 -0.210 1.00 0.00 C ATOM 1277 CE2 TYR A 80 0.206 -4.786 -1.285 1.00 0.00 C ATOM 1278 CZ TYR A 80 -0.692 -5.040 -0.257 1.00 0.00 C ATOM 1279 OH TYR A 80 -0.272 -5.849 0.770 1.00 0.00 O ATOM 0 H TYR A 80 -1.577 -0.042 -4.732 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.181 -0.397 -1.966 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.598 -2.153 -3.570 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.917 -2.176 -4.067 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.060 -2.751 -1.027 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.562 -3.691 -3.087 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.654 -4.632 0.530 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.146 -5.316 -1.329 1.00 0.00 H new ATOM 0 HH TYR A 80 0.604 -6.229 0.550 1.00 0.00 H new ATOM 1289 N ASN A 81 0.959 -0.145 -2.893 1.00 0.00 N ATOM 1290 CA ASN A 81 2.318 0.061 -2.415 1.00 0.00 C ATOM 1291 C ASN A 81 2.386 1.305 -1.532 1.00 0.00 C ATOM 1292 O ASN A 81 2.931 1.265 -0.431 1.00 0.00 O ATOM 1293 CB ASN A 81 3.339 0.026 -3.539 1.00 0.00 C ATOM 1294 CG ASN A 81 3.284 1.219 -4.478 1.00 0.00 C ATOM 1295 OD1 ASN A 81 3.104 2.370 -4.017 1.00 0.00 O ATOM 1296 ND2 ASN A 81 3.829 1.029 -5.684 1.00 0.00 N ATOM 0 H ASN A 81 0.857 -0.103 -3.907 1.00 0.00 H new ATOM 0 HA ASN A 81 2.599 -0.780 -1.781 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.337 -0.033 -3.105 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.190 -0.884 -4.120 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.108 1.831 -6.250 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.966 0.082 -6.038 1.00 0.00 H new ATOM 1303 N THR A 82 1.589 2.305 -1.911 1.00 0.00 N ATOM 1304 CA THR A 82 1.609 3.586 -1.220 1.00 0.00 C ATOM 1305 C THR A 82 0.832 3.483 0.095 1.00 0.00 C ATOM 1306 O THR A 82 1.284 4.017 1.113 1.00 0.00 O ATOM 1307 CB THR A 82 1.041 4.759 -2.115 1.00 0.00 C ATOM 1308 OG1 THR A 82 0.590 4.202 -3.371 1.00 0.00 O ATOM 1309 CG2 THR A 82 2.012 5.929 -2.292 1.00 0.00 C ATOM 0 H THR A 82 0.928 2.250 -2.686 1.00 0.00 H new ATOM 0 HA THR A 82 2.650 3.829 -1.005 1.00 0.00 H new ATOM 0 HB THR A 82 0.195 5.209 -1.596 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.324 3.708 -3.792 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.551 6.693 -2.918 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.251 6.354 -1.317 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.926 5.574 -2.768 1.00 0.00 H new ATOM 1317 N ILE A 83 0.016 2.423 0.155 1.00 0.00 N ATOM 1318 CA ILE A 83 -0.802 2.187 1.351 1.00 0.00 C ATOM 1319 C ILE A 83 -0.013 1.360 2.353 1.00 0.00 C ATOM 1320 O ILE A 83 0.247 1.834 3.469 1.00 0.00 O ATOM 1321 CB ILE A 83 -2.191 1.614 0.944 1.00 0.00 C ATOM 1322 CG1 ILE A 83 -3.116 2.825 0.549 1.00 0.00 C ATOM 1323 CG2 ILE A 83 -2.898 0.718 1.976 1.00 0.00 C ATOM 1324 CD1 ILE A 83 -3.275 3.847 1.701 1.00 0.00 C ATOM 0 H ILE A 83 -0.095 1.733 -0.588 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.030 3.119 1.868 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.002 0.936 0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.699 3.327 -0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.098 2.450 0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.854 0.384 1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.273 -0.148 2.195 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.068 1.283 2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.922 4.662 1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.718 3.354 2.566 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.297 4.245 1.972 1.00 0.00 H new ATOM 1336 N ALA A 84 0.691 0.353 1.830 1.00 0.00 N ATOM 1337 CA ALA A 84 1.527 -0.496 2.664 1.00 0.00 C ATOM 1338 C ALA A 84 2.750 0.288 3.153 1.00 0.00 C ATOM 1339 O ALA A 84 2.972 0.315 4.379 1.00 0.00 O ATOM 1340 CB ALA A 84 1.928 -1.768 1.940 1.00 0.00 C ATOM 0 H ALA A 84 0.695 0.111 0.839 1.00 0.00 H new ATOM 0 HA ALA A 84 0.947 -0.802 3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.552 -2.377 2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.034 -2.328 1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.487 -1.513 1.039 1.00 0.00 H new ATOM 1346 N VAL A 85 3.141 1.273 2.343 1.00 0.00 N ATOM 1347 CA VAL A 85 4.122 2.264 2.764 1.00 0.00 C ATOM 1348 C VAL A 85 3.537 3.170 3.836 1.00 0.00 C ATOM 1349 O VAL A 85 4.132 3.340 4.904 1.00 0.00 O ATOM 1350 CB VAL A 85 4.747 2.995 1.564 1.00 0.00 C ATOM 1351 CG1 VAL A 85 5.649 4.157 1.978 1.00 0.00 C ATOM 1352 CG2 VAL A 85 5.512 2.031 0.662 1.00 0.00 C ATOM 0 H VAL A 85 2.792 1.402 1.394 1.00 0.00 H new ATOM 0 HA VAL A 85 4.965 1.759 3.235 1.00 0.00 H new ATOM 0 HB VAL A 85 3.913 3.417 1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.060 4.633 1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.068 4.885 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.463 3.782 2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.941 2.580 -0.176 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.311 1.556 1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.831 1.267 0.285 1.00 0.00 H new ATOM 1362 N LEU A 86 2.476 3.887 3.475 1.00 0.00 N ATOM 1363 CA LEU A 86 1.885 4.879 4.358 1.00 0.00 C ATOM 1364 C LEU A 86 1.404 4.221 5.659 1.00 0.00 C ATOM 1365 O LEU A 86 1.522 4.833 6.728 1.00 0.00 O ATOM 1366 CB LEU A 86 0.799 5.644 3.605 1.00 0.00 C ATOM 1367 CG LEU A 86 0.487 7.064 4.031 1.00 0.00 C ATOM 1368 CD1 LEU A 86 1.739 7.860 4.369 1.00 0.00 C ATOM 1369 CD2 LEU A 86 -0.267 7.756 2.894 1.00 0.00 C ATOM 0 H LEU A 86 2.009 3.796 2.573 1.00 0.00 H new ATOM 0 HA LEU A 86 2.630 5.614 4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.080 5.668 2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.123 5.067 3.676 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.118 7.021 4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.458 8.870 4.668 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.270 7.374 5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.387 7.908 3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.500 8.781 3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.354 7.764 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.192 7.217 2.690 1.00 0.00 H new ATOM 1381 N TYR A 87 1.399 2.879 5.611 1.00 0.00 N ATOM 1382 CA TYR A 87 1.217 2.063 6.790 1.00 0.00 C ATOM 1383 C TYR A 87 2.513 1.847 7.550 1.00 0.00 C ATOM 1384 O TYR A 87 2.562 2.042 8.772 1.00 0.00 O ATOM 1385 CB TYR A 87 0.556 0.706 6.446 1.00 0.00 C ATOM 1386 CG TYR A 87 -0.145 0.087 7.658 1.00 0.00 C ATOM 1387 CD1 TYR A 87 0.574 -0.087 8.853 1.00 0.00 C ATOM 1388 CD2 TYR A 87 -1.537 0.202 7.763 1.00 0.00 C ATOM 1389 CE1 TYR A 87 -0.076 -0.503 10.015 1.00 0.00 C ATOM 1390 CE2 TYR A 87 -2.202 -0.094 8.949 1.00 0.00 C ATOM 1391 CZ TYR A 87 -1.470 -0.471 10.066 1.00 0.00 C ATOM 1392 OH TYR A 87 -2.157 -0.793 11.203 1.00 0.00 O ATOM 0 H TYR A 87 1.522 2.345 4.751 1.00 0.00 H new ATOM 0 HA TYR A 87 0.544 2.616 7.444 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.167 0.848 5.642 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.314 0.017 6.075 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.637 0.103 8.872 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.106 0.527 6.905 1.00 0.00 H new ATOM 0 HE1 TYR A 87 0.494 -0.846 10.866 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.279 -0.031 9.000 1.00 0.00 H new ATOM 0 HH TYR A 87 -3.119 -0.709 11.039 1.00 0.00 H new ATOM 1402 N CYS A 88 3.611 1.659 6.814 1.00 0.00 N ATOM 1403 CA CYS A 88 4.946 1.694 7.376 1.00 0.00 C ATOM 1404 C CYS A 88 5.174 3.050 8.092 1.00 0.00 C ATOM 1405 O CYS A 88 5.277 3.124 9.300 1.00 0.00 O ATOM 1406 CB CYS A 88 6.037 1.570 6.307 1.00 0.00 C ATOM 1407 SG CYS A 88 5.991 0.143 5.244 1.00 0.00 S ATOM 0 H CYS A 88 3.590 1.478 5.810 1.00 0.00 H new ATOM 0 HA CYS A 88 5.015 0.849 8.061 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.993 2.459 5.678 1.00 0.00 H new ATOM 0 HB3 CYS A 88 7.004 1.583 6.810 1.00 0.00 H new ATOM 0 HG CYS A 88 4.827 0.066 4.671 1.00 0.00 H new ATOM 1412 N VAL A 89 4.981 4.097 7.294 1.00 0.00 N ATOM 1413 CA VAL A 89 5.273 5.450 7.737 1.00 0.00 C ATOM 1414 C VAL A 89 4.389 5.806 8.941 1.00 0.00 C ATOM 1415 O VAL A 89 4.930 5.915 10.067 1.00 0.00 O ATOM 1416 CB VAL A 89 5.123 6.441 6.563 1.00 0.00 C ATOM 1417 CG1 VAL A 89 5.711 7.811 6.875 1.00 0.00 C ATOM 1418 CG2 VAL A 89 5.706 5.886 5.272 1.00 0.00 C ATOM 0 H VAL A 89 4.625 4.031 6.341 1.00 0.00 H new ATOM 0 HA VAL A 89 6.309 5.518 8.070 1.00 0.00 H new ATOM 0 HB VAL A 89 4.051 6.574 6.418 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.578 8.468 6.016 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.202 8.237 7.740 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.774 7.710 7.093 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.579 6.616 4.472 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.767 5.681 5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.190 4.963 5.007 1.00 0.00 H new ATOM 1428 N HIS A 90 3.127 5.376 8.832 1.00 0.00 N ATOM 1429 CA HIS A 90 2.142 5.720 9.847 1.00 0.00 C ATOM 1430 C HIS A 90 2.509 5.070 11.182 1.00 0.00 C ATOM 1431 O HIS A 90 2.656 5.758 12.191 1.00 0.00 O ATOM 1432 CB HIS A 90 0.695 5.316 9.485 1.00 0.00 C ATOM 1433 CG HIS A 90 0.020 6.306 8.574 1.00 0.00 C ATOM 1434 ND1 HIS A 90 0.454 7.594 8.391 1.00 0.00 N ATOM 1435 CD2 HIS A 90 -0.859 6.063 7.566 1.00 0.00 C ATOM 1436 CE1 HIS A 90 -0.190 8.130 7.366 1.00 0.00 C ATOM 1437 NE2 HIS A 90 -1.059 7.251 6.913 1.00 0.00 N ATOM 0 H HIS A 90 2.775 4.802 8.066 1.00 0.00 H new ATOM 0 HA HIS A 90 2.165 6.808 9.916 1.00 0.00 H new ATOM 0 HB2 HIS A 90 0.706 4.337 9.005 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.112 5.216 10.400 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -1.314 5.113 7.325 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -0.030 9.121 6.968 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -1.763 7.425 6.196 1.00 0.00 H new ATOM 1446 N GLN A 91 2.904 3.804 11.099 1.00 0.00 N ATOM 1447 CA GLN A 91 3.426 3.081 12.243 1.00 0.00 C ATOM 1448 C GLN A 91 4.704 3.773 12.762 1.00 0.00 C ATOM 1449 O GLN A 91 4.936 3.788 13.978 1.00 0.00 O ATOM 1450 CB GLN A 91 3.725 1.611 11.936 1.00 0.00 C ATOM 1451 CG GLN A 91 3.069 0.629 12.880 1.00 0.00 C ATOM 1452 CD GLN A 91 1.587 0.864 13.067 1.00 0.00 C ATOM 1453 OE1 GLN A 91 0.756 0.063 12.627 1.00 0.00 O ATOM 1454 NE2 GLN A 91 1.278 1.738 14.026 1.00 0.00 N ATOM 0 H GLN A 91 2.870 3.256 10.239 1.00 0.00 H new ATOM 0 HA GLN A 91 2.649 3.096 13.007 1.00 0.00 H new ATOM 0 HB2 GLN A 91 3.399 1.391 10.919 1.00 0.00 H new ATOM 0 HB3 GLN A 91 4.804 1.459 11.965 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.223 -0.382 12.503 1.00 0.00 H new ATOM 0 HG3 GLN A 91 3.562 0.686 13.850 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.984 2.388 14.370 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.335 1.756 14.415 1.00 0.00 H new ATOM 1463 N ARG A 92 5.695 3.787 11.863 1.00 0.00 N ATOM 1464 CA ARG A 92 7.103 3.821 12.202 1.00 0.00 C ATOM 1465 C ARG A 92 7.934 3.471 10.944 1.00 0.00 C ATOM 1466 O ARG A 92 9.080 3.915 10.842 1.00 0.00 O ATOM 1467 CB ARG A 92 7.486 2.836 13.313 1.00 0.00 C ATOM 1468 CG ARG A 92 8.197 3.462 14.503 1.00 0.00 C ATOM 1469 CD ARG A 92 9.678 3.448 14.330 1.00 0.00 C ATOM 1470 NE ARG A 92 10.227 4.790 14.189 1.00 0.00 N ATOM 1471 CZ ARG A 92 10.886 5.415 15.166 1.00 0.00 C ATOM 1472 NH1 ARG A 92 10.922 4.931 16.403 1.00 0.00 N ATOM 1473 NH2 ARG A 92 11.477 6.583 14.907 1.00 0.00 N ATOM 0 H ARG A 92 5.525 3.774 10.857 1.00 0.00 H new ATOM 0 HA ARG A 92 7.312 4.827 12.565 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.582 2.340 13.667 1.00 0.00 H new ATOM 0 HB3 ARG A 92 8.128 2.064 12.889 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.855 4.489 14.632 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.932 2.921 15.411 1.00 0.00 H new ATOM 0 HD2 ARG A 92 10.138 2.957 15.188 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.934 2.858 13.450 1.00 0.00 H new ATOM 0 HE ARG A 92 10.101 5.275 13.301 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.438 4.061 16.624 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.434 5.430 17.131 1.00 0.00 H new ATOM 0 HH21 ARG A 92 11.421 6.986 13.972 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.984 7.072 15.644 1.00 0.00 H new ATOM 1487 N ILE A 93 7.562 2.320 10.374 1.00 0.00 N ATOM 1488 CA ILE A 93 8.415 1.594 9.448 1.00 0.00 C ATOM 1489 C ILE A 93 8.750 2.473 8.240 1.00 0.00 C ATOM 1490 O ILE A 93 7.949 3.338 7.870 1.00 0.00 O ATOM 1491 CB ILE A 93 7.730 0.245 9.005 1.00 0.00 C ATOM 1492 CG1 ILE A 93 7.403 -0.596 10.267 1.00 0.00 C ATOM 1493 CG2 ILE A 93 8.564 -0.546 7.976 1.00 0.00 C ATOM 1494 CD1 ILE A 93 6.027 -0.281 10.902 1.00 0.00 C ATOM 0 H ILE A 93 6.662 1.872 10.546 1.00 0.00 H new ATOM 0 HA ILE A 93 9.348 1.341 9.951 1.00 0.00 H new ATOM 0 HB ILE A 93 6.802 0.487 8.486 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.435 -1.653 10.003 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.181 -0.429 11.012 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.039 -1.464 7.711 1.00 0.00 H new ATOM 0 HG22 ILE A 93 8.709 0.060 7.082 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.534 -0.794 8.407 1.00 0.00 H new ATOM 0 HD11 ILE A 93 5.878 -0.912 11.778 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.995 0.767 11.200 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.238 -0.476 10.176 1.00 0.00 H new ATOM 1506 N ASP A 94 10.064 2.568 7.979 1.00 0.00 N ATOM 1507 CA ASP A 94 10.519 3.300 6.804 1.00 0.00 C ATOM 1508 C ASP A 94 11.243 2.368 5.837 1.00 0.00 C ATOM 1509 O ASP A 94 11.844 1.376 6.238 1.00 0.00 O ATOM 1510 CB ASP A 94 11.297 4.559 7.159 1.00 0.00 C ATOM 1511 CG ASP A 94 10.509 5.549 7.992 1.00 0.00 C ATOM 1512 OD1 ASP A 94 9.589 6.212 7.489 1.00 0.00 O ATOM 1513 OD2 ASP A 94 10.870 5.684 9.182 1.00 0.00 O ATOM 0 H ASP A 94 10.803 2.159 8.550 1.00 0.00 H new ATOM 0 HA ASP A 94 9.642 3.673 6.275 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.198 4.277 7.703 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.619 5.047 6.239 1.00 0.00 H new ATOM 1518 N VAL A 95 11.195 2.729 4.554 1.00 0.00 N ATOM 1519 CA VAL A 95 11.497 1.750 3.498 1.00 0.00 C ATOM 1520 C VAL A 95 12.294 2.416 2.388 1.00 0.00 C ATOM 1521 O VAL A 95 12.793 3.532 2.554 1.00 0.00 O ATOM 1522 CB VAL A 95 10.209 1.030 3.077 1.00 0.00 C ATOM 1523 CG1 VAL A 95 9.338 0.654 4.281 1.00 0.00 C ATOM 1524 CG2 VAL A 95 9.392 1.812 2.063 1.00 0.00 C ATOM 0 H VAL A 95 10.957 3.664 4.222 1.00 0.00 H new ATOM 0 HA VAL A 95 12.150 0.955 3.858 1.00 0.00 H new ATOM 0 HB VAL A 95 10.540 0.113 2.590 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.438 0.147 3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.897 -0.009 4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 95 9.059 1.557 4.825 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.495 1.249 1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.107 2.774 2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.987 1.975 1.164 1.00 0.00 H new ATOM 1534 N LYS A 96 12.663 1.599 1.398 1.00 0.00 N ATOM 1535 CA LYS A 96 13.449 2.082 0.268 1.00 0.00 C ATOM 1536 C LYS A 96 12.752 1.717 -1.043 1.00 0.00 C ATOM 1537 O LYS A 96 12.615 2.551 -1.935 1.00 0.00 O ATOM 1538 CB LYS A 96 14.860 1.497 0.262 1.00 0.00 C ATOM 1539 CG LYS A 96 14.901 -0.028 0.175 1.00 0.00 C ATOM 1540 CD LYS A 96 16.257 -0.564 -0.244 1.00 0.00 C ATOM 1541 CE LYS A 96 16.504 -0.560 -1.695 1.00 0.00 C ATOM 1542 NZ LYS A 96 17.628 0.343 -2.052 1.00 0.00 N ATOM 0 H LYS A 96 12.430 0.607 1.359 1.00 0.00 H new ATOM 0 HA LYS A 96 13.530 3.165 0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 96 15.411 1.914 -0.581 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.377 1.813 1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 96 14.635 -0.449 1.145 1.00 0.00 H new ATOM 0 HG3 LYS A 96 14.148 -0.366 -0.537 1.00 0.00 H new ATOM 0 HD2 LYS A 96 17.032 0.028 0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 96 16.357 -1.585 0.124 1.00 0.00 H new ATOM 0 HE2 LYS A 96 16.729 -1.573 -2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 96 15.601 -0.244 -2.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 17.932 0.150 -3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 17.316 1.332 -1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 18.424 0.180 -1.403 1.00 0.00 H new ATOM 1556 N ASP A 97 12.018 0.598 -0.970 1.00 0.00 N ATOM 1557 CA ASP A 97 11.334 0.086 -2.162 1.00 0.00 C ATOM 1558 C ASP A 97 9.943 -0.413 -1.785 1.00 0.00 C ATOM 1559 O ASP A 97 9.729 -0.844 -0.645 1.00 0.00 O ATOM 1560 CB ASP A 97 12.213 -0.916 -2.899 1.00 0.00 C ATOM 1561 CG ASP A 97 12.185 -2.318 -2.320 1.00 0.00 C ATOM 1562 OD1 ASP A 97 11.113 -2.924 -2.179 1.00 0.00 O ATOM 1563 OD2 ASP A 97 13.287 -2.795 -1.972 1.00 0.00 O ATOM 0 H ASP A 97 11.885 0.045 -0.124 1.00 0.00 H new ATOM 0 HA ASP A 97 11.169 0.885 -2.885 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.898 -0.960 -3.941 1.00 0.00 H new ATOM 0 HB3 ASP A 97 13.241 -0.553 -2.892 1.00 0.00 H new ATOM 1568 N THR A 98 9.155 -0.709 -2.817 1.00 0.00 N ATOM 1569 CA THR A 98 7.883 -1.390 -2.658 1.00 0.00 C ATOM 1570 C THR A 98 8.086 -2.758 -1.998 1.00 0.00 C ATOM 1571 O THR A 98 7.517 -3.032 -0.944 1.00 0.00 O ATOM 1572 CB THR A 98 7.134 -1.563 -4.045 1.00 0.00 C ATOM 1573 OG1 THR A 98 7.415 -0.366 -4.823 1.00 0.00 O ATOM 1574 CG2 THR A 98 5.642 -1.857 -3.914 1.00 0.00 C ATOM 0 H THR A 98 9.385 -0.481 -3.784 1.00 0.00 H new ATOM 0 HA THR A 98 7.259 -0.770 -2.014 1.00 0.00 H new ATOM 0 HB THR A 98 7.508 -2.450 -4.556 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.970 -0.430 -5.694 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.203 -1.961 -4.906 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.501 -2.783 -3.356 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.155 -1.037 -3.386 1.00 0.00 H new ATOM 1582 N LYS A 99 8.676 -3.673 -2.763 1.00 0.00 N ATOM 1583 CA LYS A 99 8.535 -5.102 -2.513 1.00 0.00 C ATOM 1584 C LYS A 99 9.064 -5.452 -1.121 1.00 0.00 C ATOM 1585 O LYS A 99 8.525 -6.360 -0.476 1.00 0.00 O ATOM 1586 CB LYS A 99 9.260 -5.947 -3.555 1.00 0.00 C ATOM 1587 CG LYS A 99 10.779 -5.782 -3.558 1.00 0.00 C ATOM 1588 CD LYS A 99 11.326 -5.336 -4.903 1.00 0.00 C ATOM 1589 CE LYS A 99 11.603 -3.895 -5.011 1.00 0.00 C ATOM 1590 NZ LYS A 99 13.016 -3.585 -4.675 1.00 0.00 N ATOM 0 H LYS A 99 9.261 -3.446 -3.567 1.00 0.00 H new ATOM 0 HA LYS A 99 7.471 -5.331 -2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.021 -6.997 -3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.877 -5.691 -4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 99 11.061 -5.053 -2.798 1.00 0.00 H new ATOM 0 HG3 LYS A 99 11.242 -6.729 -3.280 1.00 0.00 H new ATOM 0 HD2 LYS A 99 12.246 -5.884 -5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.613 -5.613 -5.679 1.00 0.00 H new ATOM 0 HE2 LYS A 99 11.386 -3.557 -6.024 1.00 0.00 H new ATOM 0 HE3 LYS A 99 10.940 -3.345 -4.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 13.218 -2.591 -4.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 13.174 -3.743 -3.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 13.647 -4.203 -5.224 1.00 0.00 H new ATOM 1604 N GLU A 100 9.737 -4.466 -0.522 1.00 0.00 N ATOM 1605 CA GLU A 100 10.269 -4.618 0.823 1.00 0.00 C ATOM 1606 C GLU A 100 9.286 -4.083 1.857 1.00 0.00 C ATOM 1607 O GLU A 100 8.940 -4.772 2.815 1.00 0.00 O ATOM 1608 CB GLU A 100 11.604 -3.864 0.881 1.00 0.00 C ATOM 1609 CG GLU A 100 12.521 -3.929 1.961 1.00 0.00 C ATOM 1610 CD GLU A 100 12.424 -2.862 3.009 1.00 0.00 C ATOM 1611 OE1 GLU A 100 12.506 -1.713 2.523 1.00 0.00 O ATOM 1612 OE2 GLU A 100 12.292 -3.081 4.201 1.00 0.00 O ATOM 0 H GLU A 100 9.923 -3.559 -0.950 1.00 0.00 H new ATOM 0 HA GLU A 100 10.426 -5.671 1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.161 -4.169 -0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.360 -2.809 0.757 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.398 -4.895 2.451 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.530 -3.907 1.549 1.00 0.00 H new ATOM 1619 N ALA A 101 8.769 -2.889 1.592 1.00 0.00 N ATOM 1620 CA ALA A 101 7.729 -2.295 2.418 1.00 0.00 C ATOM 1621 C ALA A 101 6.482 -3.183 2.417 1.00 0.00 C ATOM 1622 O ALA A 101 6.140 -3.762 3.455 1.00 0.00 O ATOM 1623 CB ALA A 101 7.392 -0.894 1.923 1.00 0.00 C ATOM 0 H ALA A 101 9.058 -2.310 0.803 1.00 0.00 H new ATOM 0 HA ALA A 101 8.097 -2.216 3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 101 6.612 -0.464 2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.283 -0.268 1.970 1.00 0.00 H new ATOM 0 HB3 ALA A 101 7.039 -0.947 0.893 1.00 0.00 H new ATOM 1629 N LEU A 102 6.094 -3.593 1.213 1.00 0.00 N ATOM 1630 CA LEU A 102 4.992 -4.521 1.029 1.00 0.00 C ATOM 1631 C LEU A 102 5.272 -5.842 1.739 1.00 0.00 C ATOM 1632 O LEU A 102 4.486 -6.259 2.599 1.00 0.00 O ATOM 1633 CB LEU A 102 4.748 -4.673 -0.482 1.00 0.00 C ATOM 1634 CG LEU A 102 3.315 -4.523 -0.965 1.00 0.00 C ATOM 1635 CD1 LEU A 102 2.814 -3.100 -0.760 1.00 0.00 C ATOM 1636 CD2 LEU A 102 3.257 -4.892 -2.444 1.00 0.00 C ATOM 0 H LEU A 102 6.534 -3.291 0.344 1.00 0.00 H new ATOM 0 HA LEU A 102 4.078 -4.141 1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.360 -3.935 -1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.108 -5.656 -0.787 1.00 0.00 H new ATOM 0 HG LEU A 102 2.672 -5.187 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.786 -3.022 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.852 -2.850 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.444 -2.408 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.234 -4.789 -2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.910 -4.228 -3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.586 -5.923 -2.575 1.00 0.00 H new ATOM 1648 N ASP A 103 6.521 -6.287 1.627 1.00 0.00 N ATOM 1649 CA ASP A 103 6.954 -7.513 2.278 1.00 0.00 C ATOM 1650 C ASP A 103 6.806 -7.386 3.796 1.00 0.00 C ATOM 1651 O ASP A 103 5.882 -7.975 4.370 1.00 0.00 O ATOM 1652 CB ASP A 103 8.344 -7.945 1.824 1.00 0.00 C ATOM 1653 CG ASP A 103 8.866 -9.172 2.549 1.00 0.00 C ATOM 1654 OD1 ASP A 103 8.602 -10.311 2.139 1.00 0.00 O ATOM 1655 OD2 ASP A 103 9.546 -8.959 3.577 1.00 0.00 O ATOM 0 H ASP A 103 7.249 -5.814 1.091 1.00 0.00 H new ATOM 0 HA ASP A 103 6.299 -8.327 1.966 1.00 0.00 H new ATOM 0 HB2 ASP A 103 8.320 -8.148 0.753 1.00 0.00 H new ATOM 0 HB3 ASP A 103 9.040 -7.120 1.976 1.00 0.00 H new ATOM 1660 N LYS A 104 7.382 -6.303 4.320 1.00 0.00 N ATOM 1661 CA LYS A 104 7.424 -6.109 5.767 1.00 0.00 C ATOM 1662 C LYS A 104 6.020 -5.933 6.324 1.00 0.00 C ATOM 1663 O LYS A 104 5.774 -6.090 7.522 1.00 0.00 O ATOM 1664 CB LYS A 104 8.282 -4.903 6.143 1.00 0.00 C ATOM 1665 CG LYS A 104 9.019 -5.049 7.474 1.00 0.00 C ATOM 1666 CD LYS A 104 10.135 -6.076 7.428 1.00 0.00 C ATOM 1667 CE LYS A 104 11.385 -5.662 8.084 1.00 0.00 C ATOM 1668 NZ LYS A 104 11.118 -4.913 9.338 1.00 0.00 N ATOM 0 H LYS A 104 7.818 -5.560 3.774 1.00 0.00 H new ATOM 0 HA LYS A 104 7.874 -7.001 6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 104 9.013 -4.731 5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.646 -4.019 6.188 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.434 -4.083 7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.306 -5.331 8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.783 -6.995 7.897 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.350 -6.312 6.386 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.990 -6.541 8.306 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.966 -5.039 7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.913 -5.042 9.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.008 -3.902 9.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.245 -5.270 9.776 1.00 0.00 H new ATOM 1682 N ILE A 105 5.064 -5.743 5.414 1.00 0.00 N ATOM 1683 CA ILE A 105 3.747 -5.214 5.833 1.00 0.00 C ATOM 1684 C ILE A 105 2.698 -6.310 5.651 1.00 0.00 C ATOM 1685 O ILE A 105 2.298 -6.884 6.702 1.00 0.00 O ATOM 1686 CB ILE A 105 3.485 -3.858 5.134 1.00 0.00 C ATOM 1687 CG1 ILE A 105 4.080 -2.697 6.002 1.00 0.00 C ATOM 1688 CG2 ILE A 105 2.025 -3.546 4.746 1.00 0.00 C ATOM 1689 CD1 ILE A 105 5.532 -2.917 6.473 1.00 0.00 C ATOM 0 H ILE A 105 5.160 -5.936 4.417 1.00 0.00 H new ATOM 0 HA ILE A 105 3.705 -4.967 6.894 1.00 0.00 H new ATOM 0 HB ILE A 105 3.992 -3.944 4.173 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.036 -1.773 5.426 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.447 -2.556 6.878 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.977 -2.569 4.265 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.661 -4.308 4.057 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.404 -3.540 5.642 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.856 -2.062 7.066 1.00 0.00 H new ATOM 0 HD12 ILE A 105 5.584 -3.820 7.081 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.183 -3.025 5.606 1.00 0.00 H new ATOM 1701 N GLU A 106 2.821 -7.010 4.519 1.00 0.00 N ATOM 1702 CA GLU A 106 2.223 -8.323 4.327 1.00 0.00 C ATOM 1703 C GLU A 106 2.741 -9.306 5.372 1.00 0.00 C ATOM 1704 O GLU A 106 2.085 -10.295 5.689 1.00 0.00 O ATOM 1705 CB GLU A 106 2.567 -8.793 2.908 1.00 0.00 C ATOM 1706 CG GLU A 106 1.623 -9.305 1.978 1.00 0.00 C ATOM 1707 CD GLU A 106 1.581 -10.792 1.795 1.00 0.00 C ATOM 1708 OE1 GLU A 106 2.545 -11.472 1.493 1.00 0.00 O ATOM 1709 OE2 GLU A 106 0.429 -11.253 1.942 1.00 0.00 O ATOM 0 H GLU A 106 3.342 -6.675 3.709 1.00 0.00 H new ATOM 0 HA GLU A 106 1.141 -8.269 4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.045 -7.945 2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.328 -9.565 3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.631 -8.974 2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.823 -8.850 1.008 1.00 0.00 H new