USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 845 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 20 MET CE :methyl -172:sc= -2.58 (180deg=-2.78!) USER MOD Set 1.2: A 28 TYR OH : rot 33:sc= 0.854 USER MOD Set 1.3: A 85 GLN : amide:sc= 1.01 K(o=-0.71,f=-3.2) USER MOD Single : A 15 THR OG1 : rot -10:sc= -0.168 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 38 LYS NZ :NH3+ -110:sc= 0.777 (180deg=-0.207) USER MOD Single : A 41 SER OG : rot 90:sc= -1.48! USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= 1.25 (180deg=0.934) USER MOD Single : A 45 LYS NZ :NH3+ -119:sc= 1.27 (180deg=0.0625) USER MOD Single : A 51 GLN : amide:sc= -2.69! K(o=-2.7!,f=-0.073) USER MOD Single : A 56 ASN : amide:sc= -3.86! C(o=-3.9!,f=-1.9!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.888 K(o=-0.89,f=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 159:sc= -0.148 (180deg=-0.647) USER MOD Single : A 76 THR OG1 : rot 28:sc= 0.971 USER MOD Single : A 78 LYS NZ :NH3+ -110:sc= 1.57 (180deg=0.646) USER MOD Single : A 89 LYS NZ :NH3+ 166:sc= 1.19 (180deg=0.719) USER MOD Single : A 90 ASN : amide:sc= -0.0998 X(o=-0.1,f=-0.016) USER MOD Single : A 91 GLN : amide:sc= -0.687 X(o=-0.69,f=-0.4) USER MOD Single : A 92 LYS NZ :NH3+ 147:sc= 0.373 (180deg=0.0471) USER MOD Single : A 97 GLN : amide:sc= -2.85! C(o=-2.9!,f=-4.2!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 140:sc= 0.246 USER MOD Single : A 107 LYS NZ :NH3+ -168:sc= 1.22 (180deg=1.21) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N GLU A 10 -11.112 -4.196 2.253 1.00 0.00 N ATOM 121 CA GLU A 10 -10.851 -3.806 3.627 1.00 0.00 C ATOM 122 C GLU A 10 -9.920 -4.800 4.281 1.00 0.00 C ATOM 123 O GLU A 10 -9.929 -5.987 3.934 1.00 0.00 O ATOM 124 CB GLU A 10 -12.158 -3.719 4.424 1.00 0.00 C ATOM 125 CG GLU A 10 -13.120 -2.642 3.947 1.00 0.00 C ATOM 126 CD GLU A 10 -14.394 -2.623 4.745 1.00 0.00 C ATOM 127 OE1 GLU A 10 -14.390 -2.140 5.890 1.00 0.00 O ATOM 128 OE2 GLU A 10 -15.426 -3.121 4.249 1.00 0.00 O ATOM 0 HA GLU A 10 -10.381 -2.823 3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.662 -4.684 4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.918 -3.535 5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.635 -1.668 4.017 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.355 -2.807 2.895 1.00 0.00 H new ATOM 135 N ILE A 11 -9.101 -4.327 5.186 1.00 0.00 N ATOM 136 CA ILE A 11 -8.226 -5.180 5.918 1.00 0.00 C ATOM 137 C ILE A 11 -8.477 -5.100 7.393 1.00 0.00 C ATOM 138 O ILE A 11 -8.997 -4.097 7.909 1.00 0.00 O ATOM 139 CB ILE A 11 -6.734 -4.922 5.668 1.00 0.00 C ATOM 140 CG1 ILE A 11 -6.410 -3.453 5.487 1.00 0.00 C ATOM 141 CG2 ILE A 11 -6.117 -5.823 4.632 1.00 0.00 C ATOM 142 CD1 ILE A 11 -4.943 -3.154 5.259 1.00 0.00 C ATOM 0 H ILE A 11 -9.029 -3.339 5.429 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.458 -6.177 5.544 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.235 -5.213 6.592 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.981 -3.070 4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.745 -2.909 6.370 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.062 -5.575 4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.213 -6.861 4.949 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.629 -5.686 3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.805 -2.079 5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.364 -3.502 6.114 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.603 -3.665 4.358 1.00 0.00 H new ATOM 154 N GLY A 12 -8.120 -6.153 8.038 1.00 0.00 N ATOM 155 CA GLY A 12 -8.187 -6.270 9.435 1.00 0.00 C ATOM 156 C GLY A 12 -7.131 -7.250 9.864 1.00 0.00 C ATOM 157 O GLY A 12 -6.465 -7.841 8.988 1.00 0.00 O ATOM 0 H GLY A 12 -7.759 -6.988 7.578 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.024 -5.301 9.908 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.175 -6.613 9.743 1.00 0.00 H new ATOM 161 N PRO A 13 -6.950 -7.480 11.170 1.00 0.00 N ATOM 162 CA PRO A 13 -5.910 -8.384 11.693 1.00 0.00 C ATOM 163 C PRO A 13 -5.996 -9.811 11.133 1.00 0.00 C ATOM 164 O PRO A 13 -4.989 -10.493 10.999 1.00 0.00 O ATOM 165 CB PRO A 13 -6.157 -8.387 13.213 1.00 0.00 C ATOM 166 CG PRO A 13 -7.538 -7.846 13.383 1.00 0.00 C ATOM 167 CD PRO A 13 -7.732 -6.873 12.262 1.00 0.00 C ATOM 0 HA PRO A 13 -4.916 -8.041 11.405 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.074 -9.393 13.624 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.425 -7.769 13.733 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.279 -8.644 13.341 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.651 -7.357 14.350 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.784 -6.765 11.996 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.365 -5.879 12.520 1.00 0.00 H new ATOM 175 N GLU A 14 -7.180 -10.221 10.758 1.00 0.00 N ATOM 176 CA GLU A 14 -7.408 -11.571 10.288 1.00 0.00 C ATOM 177 C GLU A 14 -7.203 -11.689 8.782 1.00 0.00 C ATOM 178 O GLU A 14 -6.960 -12.777 8.270 1.00 0.00 O ATOM 179 CB GLU A 14 -8.839 -11.961 10.591 1.00 0.00 C ATOM 180 CG GLU A 14 -9.234 -11.805 12.036 1.00 0.00 C ATOM 181 CD GLU A 14 -10.710 -11.913 12.204 1.00 0.00 C ATOM 182 OE1 GLU A 14 -11.402 -10.872 12.084 1.00 0.00 O ATOM 183 OE2 GLU A 14 -11.224 -13.020 12.440 1.00 0.00 O ATOM 0 H GLU A 14 -8.014 -9.634 10.768 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.695 -12.223 10.793 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.506 -11.355 9.977 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.990 -12.999 10.296 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.740 -12.569 12.636 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.893 -10.839 12.407 1.00 0.00 H new ATOM 190 N THR A 15 -7.272 -10.583 8.070 1.00 0.00 N ATOM 191 CA THR A 15 -7.319 -10.670 6.638 1.00 0.00 C ATOM 192 C THR A 15 -5.967 -10.459 6.001 1.00 0.00 C ATOM 193 O THR A 15 -5.641 -11.118 5.014 1.00 0.00 O ATOM 194 CB THR A 15 -8.334 -9.673 6.047 1.00 0.00 C ATOM 195 OG1 THR A 15 -7.908 -8.338 6.316 1.00 0.00 O ATOM 196 CG2 THR A 15 -9.693 -9.872 6.680 1.00 0.00 C ATOM 0 H THR A 15 -7.296 -9.638 8.454 1.00 0.00 H new ATOM 0 HA THR A 15 -7.642 -11.685 6.408 1.00 0.00 H new ATOM 0 HB THR A 15 -8.398 -9.843 4.972 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.160 -8.355 6.949 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.401 -9.161 6.253 1.00 0.00 H new ATOM 0 HG22 THR A 15 -10.039 -10.888 6.488 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.621 -9.711 7.756 1.00 0.00 H new ATOM 204 N TYR A 16 -5.151 -9.564 6.567 1.00 0.00 N ATOM 205 CA TYR A 16 -3.887 -9.243 5.933 1.00 0.00 C ATOM 206 C TYR A 16 -2.949 -10.435 5.843 1.00 0.00 C ATOM 207 O TYR A 16 -2.177 -10.557 4.896 1.00 0.00 O ATOM 208 CB TYR A 16 -3.200 -7.990 6.498 1.00 0.00 C ATOM 209 CG TYR A 16 -2.557 -8.094 7.870 1.00 0.00 C ATOM 210 CD1 TYR A 16 -1.261 -8.590 8.017 1.00 0.00 C ATOM 211 CD2 TYR A 16 -3.219 -7.658 8.998 1.00 0.00 C ATOM 212 CE1 TYR A 16 -0.649 -8.653 9.253 1.00 0.00 C ATOM 213 CE2 TYR A 16 -2.613 -7.721 10.253 1.00 0.00 C ATOM 214 CZ TYR A 16 -1.326 -8.219 10.369 1.00 0.00 C ATOM 215 OH TYR A 16 -0.713 -8.281 11.611 1.00 0.00 O ATOM 0 H TYR A 16 -5.342 -9.067 7.437 1.00 0.00 H new ATOM 0 HA TYR A 16 -4.152 -8.981 4.909 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -2.431 -7.681 5.790 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.939 -7.190 6.534 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -0.725 -8.932 7.144 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.220 -7.262 8.909 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.355 -9.041 9.343 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.145 -7.383 11.130 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.324 -7.936 12.295 1.00 0.00 H new ATOM 225 N SER A 17 -3.075 -11.340 6.791 1.00 0.00 N ATOM 226 CA SER A 17 -2.298 -12.560 6.826 1.00 0.00 C ATOM 227 C SER A 17 -2.577 -13.437 5.582 1.00 0.00 C ATOM 228 O SER A 17 -1.723 -14.205 5.144 1.00 0.00 O ATOM 229 CB SER A 17 -2.640 -13.301 8.109 1.00 0.00 C ATOM 230 OG SER A 17 -2.489 -12.423 9.218 1.00 0.00 O ATOM 0 H SER A 17 -3.729 -11.247 7.569 1.00 0.00 H new ATOM 0 HA SER A 17 -1.234 -12.322 6.808 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.663 -13.675 8.064 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.989 -14.167 8.226 1.00 0.00 H new ATOM 0 HG SER A 17 -2.711 -12.900 10.045 1.00 0.00 H new ATOM 236 N ASP A 18 -3.745 -13.266 4.984 1.00 0.00 N ATOM 237 CA ASP A 18 -4.129 -14.039 3.803 1.00 0.00 C ATOM 238 C ASP A 18 -3.448 -13.475 2.575 1.00 0.00 C ATOM 239 O ASP A 18 -2.923 -14.207 1.723 1.00 0.00 O ATOM 240 CB ASP A 18 -5.640 -14.006 3.607 1.00 0.00 C ATOM 241 CG ASP A 18 -6.095 -14.790 2.399 1.00 0.00 C ATOM 242 OD1 ASP A 18 -6.186 -16.030 2.489 1.00 0.00 O ATOM 243 OD2 ASP A 18 -6.383 -14.184 1.352 1.00 0.00 O ATOM 0 H ASP A 18 -4.449 -12.597 5.295 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.817 -15.073 3.952 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.125 -14.406 4.497 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.965 -12.971 3.505 1.00 0.00 H new ATOM 248 N TYR A 19 -3.344 -12.167 2.544 1.00 0.00 N ATOM 249 CA TYR A 19 -2.768 -11.493 1.411 1.00 0.00 C ATOM 250 C TYR A 19 -1.274 -11.671 1.487 1.00 0.00 C ATOM 251 O TYR A 19 -0.572 -11.719 0.480 1.00 0.00 O ATOM 252 CB TYR A 19 -3.145 -10.016 1.424 1.00 0.00 C ATOM 253 CG TYR A 19 -4.641 -9.764 1.533 1.00 0.00 C ATOM 254 CD1 TYR A 19 -5.548 -10.386 0.677 1.00 0.00 C ATOM 255 CD2 TYR A 19 -5.140 -8.940 2.513 1.00 0.00 C ATOM 256 CE1 TYR A 19 -6.909 -10.176 0.809 1.00 0.00 C ATOM 257 CE2 TYR A 19 -6.493 -8.733 2.659 1.00 0.00 C ATOM 258 CZ TYR A 19 -7.372 -9.349 1.809 1.00 0.00 C ATOM 259 OH TYR A 19 -8.718 -9.143 1.968 1.00 0.00 O ATOM 0 H TYR A 19 -3.653 -11.549 3.295 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.147 -11.914 0.479 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.642 -9.530 2.260 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.773 -9.548 0.513 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.183 -11.041 -0.100 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.455 -8.443 3.184 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.602 -10.656 0.134 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.860 -8.086 3.442 1.00 0.00 H new ATOM 0 HH TYR A 19 -8.869 -8.534 2.721 1.00 0.00 H new ATOM 269 N MET A 20 -0.816 -11.833 2.711 1.00 0.00 N ATOM 270 CA MET A 20 0.560 -12.102 2.999 1.00 0.00 C ATOM 271 C MET A 20 0.876 -13.527 2.549 1.00 0.00 C ATOM 272 O MET A 20 1.940 -13.807 2.041 1.00 0.00 O ATOM 273 CB MET A 20 0.808 -11.971 4.507 1.00 0.00 C ATOM 274 CG MET A 20 2.158 -11.364 4.871 1.00 0.00 C ATOM 275 SD MET A 20 2.074 -9.563 5.176 1.00 0.00 S ATOM 276 CE MET A 20 1.148 -8.951 3.752 1.00 0.00 C ATOM 0 H MET A 20 -1.407 -11.779 3.541 1.00 0.00 H new ATOM 0 HA MET A 20 1.199 -11.391 2.474 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.018 -11.358 4.941 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.732 -12.958 4.963 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.545 -11.860 5.761 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.866 -11.558 4.065 1.00 0.00 H new ATOM 0 HE1 MET A 20 1.157 -7.861 3.753 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.609 -9.316 2.834 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.119 -9.306 3.808 1.00 0.00 H new ATOM 286 N SER A 21 -0.097 -14.404 2.701 1.00 0.00 N ATOM 287 CA SER A 21 0.034 -15.795 2.325 1.00 0.00 C ATOM 288 C SER A 21 -0.032 -15.933 0.794 1.00 0.00 C ATOM 289 O SER A 21 0.446 -16.923 0.224 1.00 0.00 O ATOM 290 CB SER A 21 -1.090 -16.618 3.014 1.00 0.00 C ATOM 291 OG SER A 21 -1.020 -18.012 2.729 1.00 0.00 O ATOM 0 H SER A 21 -1.009 -14.167 3.093 1.00 0.00 H new ATOM 0 HA SER A 21 0.999 -16.180 2.654 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.030 -16.471 4.092 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.059 -16.236 2.693 1.00 0.00 H new ATOM 0 HG SER A 21 -1.749 -18.477 3.190 1.00 0.00 H new ATOM 297 N ALA A 22 -0.579 -14.916 0.125 1.00 0.00 N ATOM 298 CA ALA A 22 -0.718 -14.954 -1.310 1.00 0.00 C ATOM 299 C ALA A 22 0.625 -14.692 -1.975 1.00 0.00 C ATOM 300 O ALA A 22 0.892 -15.176 -3.077 1.00 0.00 O ATOM 301 CB ALA A 22 -1.767 -13.952 -1.768 1.00 0.00 C ATOM 0 H ALA A 22 -0.928 -14.064 0.563 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.054 -15.947 -1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.860 -13.993 -2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.727 -14.196 -1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.467 -12.948 -1.467 1.00 0.00 H new ATOM 307 N GLY A 23 1.461 -13.911 -1.305 1.00 0.00 N ATOM 308 CA GLY A 23 2.792 -13.625 -1.801 1.00 0.00 C ATOM 309 C GLY A 23 2.826 -12.366 -2.630 1.00 0.00 C ATOM 310 O GLY A 23 3.861 -11.714 -2.752 1.00 0.00 O ATOM 0 H GLY A 23 1.237 -13.465 -0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.479 -13.525 -0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.144 -14.464 -2.401 1.00 0.00 H new ATOM 314 N ILE A 24 1.688 -12.017 -3.169 1.00 0.00 N ATOM 315 CA ILE A 24 1.554 -10.848 -4.021 1.00 0.00 C ATOM 316 C ILE A 24 1.423 -9.563 -3.201 1.00 0.00 C ATOM 317 O ILE A 24 0.968 -9.607 -2.055 1.00 0.00 O ATOM 318 CB ILE A 24 0.384 -10.974 -5.038 1.00 0.00 C ATOM 319 CG1 ILE A 24 -0.856 -11.580 -4.378 1.00 0.00 C ATOM 320 CG2 ILE A 24 0.816 -11.790 -6.248 1.00 0.00 C ATOM 321 CD1 ILE A 24 -2.111 -11.530 -5.216 1.00 0.00 C ATOM 0 H ILE A 24 0.819 -12.533 -3.033 1.00 0.00 H new ATOM 0 HA ILE A 24 2.476 -10.791 -4.600 1.00 0.00 H new ATOM 0 HB ILE A 24 0.119 -9.973 -5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.645 -12.620 -4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.042 -11.058 -3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.015 -11.868 -6.949 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.658 -11.299 -6.736 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.114 -12.788 -5.926 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.935 -11.983 -4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.354 -10.493 -5.445 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.951 -12.079 -6.144 1.00 0.00 H new ATOM 333 N PRO A 25 1.845 -8.412 -3.776 1.00 0.00 N ATOM 334 CA PRO A 25 1.823 -7.100 -3.108 1.00 0.00 C ATOM 335 C PRO A 25 0.461 -6.714 -2.509 1.00 0.00 C ATOM 336 O PRO A 25 -0.597 -6.915 -3.114 1.00 0.00 O ATOM 337 CB PRO A 25 2.216 -6.111 -4.221 1.00 0.00 C ATOM 338 CG PRO A 25 2.097 -6.884 -5.491 1.00 0.00 C ATOM 339 CD PRO A 25 2.398 -8.295 -5.136 1.00 0.00 C ATOM 0 HA PRO A 25 2.495 -7.103 -2.250 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.558 -5.242 -4.226 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.231 -5.741 -4.079 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.096 -6.792 -5.912 1.00 0.00 H new ATOM 0 HG3 PRO A 25 2.794 -6.512 -6.242 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.927 -8.995 -5.826 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.469 -8.498 -5.157 1.00 0.00 H new ATOM 347 N LEU A 26 0.498 -6.173 -1.323 1.00 0.00 N ATOM 348 CA LEU A 26 -0.680 -5.751 -0.628 1.00 0.00 C ATOM 349 C LEU A 26 -0.710 -4.235 -0.661 1.00 0.00 C ATOM 350 O LEU A 26 0.249 -3.585 -0.280 1.00 0.00 O ATOM 351 CB LEU A 26 -0.611 -6.234 0.825 1.00 0.00 C ATOM 352 CG LEU A 26 -1.950 -6.397 1.612 1.00 0.00 C ATOM 353 CD1 LEU A 26 -1.701 -7.030 2.958 1.00 0.00 C ATOM 354 CD2 LEU A 26 -2.672 -5.078 1.811 1.00 0.00 C ATOM 0 H LEU A 26 1.363 -6.012 -0.806 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.576 -6.162 -1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.101 -7.197 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.018 -5.537 1.378 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.586 -7.042 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.646 -7.135 3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.251 -8.013 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.026 -6.400 3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.596 -5.249 2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.034 -4.395 2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.905 -4.641 0.840 1.00 0.00 H new ATOM 366 N ALA A 27 -1.777 -3.704 -1.121 1.00 0.00 N ATOM 367 CA ALA A 27 -1.971 -2.290 -1.169 1.00 0.00 C ATOM 368 C ALA A 27 -2.787 -1.853 0.036 1.00 0.00 C ATOM 369 O ALA A 27 -4.001 -2.092 0.113 1.00 0.00 O ATOM 370 CB ALA A 27 -2.651 -1.895 -2.454 1.00 0.00 C ATOM 0 H ALA A 27 -2.563 -4.243 -1.485 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.003 -1.790 -1.139 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.791 -0.814 -2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.034 -2.197 -3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.621 -2.388 -2.519 1.00 0.00 H new ATOM 376 N TYR A 28 -2.108 -1.259 0.966 1.00 0.00 N ATOM 377 CA TYR A 28 -2.677 -0.784 2.198 1.00 0.00 C ATOM 378 C TYR A 28 -3.200 0.586 2.003 1.00 0.00 C ATOM 379 O TYR A 28 -2.443 1.493 1.646 1.00 0.00 O ATOM 380 CB TYR A 28 -1.611 -0.701 3.279 1.00 0.00 C ATOM 381 CG TYR A 28 -1.136 -2.010 3.848 1.00 0.00 C ATOM 382 CD1 TYR A 28 -0.187 -2.765 3.189 1.00 0.00 C ATOM 383 CD2 TYR A 28 -1.626 -2.485 5.055 1.00 0.00 C ATOM 384 CE1 TYR A 28 0.254 -3.956 3.710 1.00 0.00 C ATOM 385 CE2 TYR A 28 -1.183 -3.679 5.586 1.00 0.00 C ATOM 386 CZ TYR A 28 -0.243 -4.409 4.906 1.00 0.00 C ATOM 387 OH TYR A 28 0.209 -5.599 5.419 1.00 0.00 O ATOM 0 H TYR A 28 -1.106 -1.083 0.890 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.467 -1.475 2.493 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.750 -0.173 2.870 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.999 -0.093 4.096 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.214 -2.414 2.250 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.368 -1.910 5.589 1.00 0.00 H new ATOM 0 HE1 TYR A 28 0.993 -4.537 3.178 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.573 -4.035 6.528 1.00 0.00 H new ATOM 0 HH TYR A 28 1.147 -5.728 5.168 1.00 0.00 H new ATOM 397 N ILE A 29 -4.445 0.767 2.223 1.00 0.00 N ATOM 398 CA ILE A 29 -4.990 2.065 2.115 1.00 0.00 C ATOM 399 C ILE A 29 -5.374 2.556 3.474 1.00 0.00 C ATOM 400 O ILE A 29 -6.444 2.247 3.981 1.00 0.00 O ATOM 401 CB ILE A 29 -6.202 2.160 1.188 1.00 0.00 C ATOM 402 CG1 ILE A 29 -5.921 1.486 -0.153 1.00 0.00 C ATOM 403 CG2 ILE A 29 -6.582 3.621 0.991 1.00 0.00 C ATOM 404 CD1 ILE A 29 -6.492 0.096 -0.279 1.00 0.00 C ATOM 0 H ILE A 29 -5.107 0.034 2.479 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.212 2.685 1.670 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.039 1.635 1.650 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.328 2.107 -0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.843 1.439 -0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.446 3.686 0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.828 4.066 1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.744 4.158 0.547 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.247 -0.310 -1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.067 -0.543 0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.575 0.136 -0.163 1.00 0.00 H new ATOM 416 N PHE A 30 -4.486 3.259 4.070 1.00 0.00 N ATOM 417 CA PHE A 30 -4.700 3.852 5.345 1.00 0.00 C ATOM 418 C PHE A 30 -5.472 5.084 5.153 1.00 0.00 C ATOM 419 O PHE A 30 -5.102 5.910 4.379 1.00 0.00 O ATOM 420 CB PHE A 30 -3.381 4.227 5.977 1.00 0.00 C ATOM 421 CG PHE A 30 -2.617 3.103 6.572 1.00 0.00 C ATOM 422 CD1 PHE A 30 -1.955 2.172 5.791 1.00 0.00 C ATOM 423 CD2 PHE A 30 -2.596 2.962 7.933 1.00 0.00 C ATOM 424 CE1 PHE A 30 -1.286 1.122 6.381 1.00 0.00 C ATOM 425 CE2 PHE A 30 -1.955 1.934 8.527 1.00 0.00 C ATOM 426 CZ PHE A 30 -1.290 0.996 7.749 1.00 0.00 C ATOM 0 H PHE A 30 -3.563 3.446 3.678 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.225 3.144 5.987 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.759 4.707 5.221 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.568 4.968 6.754 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.963 2.269 4.715 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.105 3.691 8.546 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.761 0.402 5.771 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.959 1.841 9.603 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.777 0.169 8.218 1.00 0.00 H new ATOM 436 N ALA A 31 -6.522 5.203 5.825 1.00 0.00 N ATOM 437 CA ALA A 31 -7.299 6.420 5.761 1.00 0.00 C ATOM 438 C ALA A 31 -7.851 6.759 7.106 1.00 0.00 C ATOM 439 O ALA A 31 -8.492 5.924 7.744 1.00 0.00 O ATOM 440 CB ALA A 31 -8.398 6.387 4.666 1.00 0.00 C ATOM 0 H ALA A 31 -6.898 4.484 6.444 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.621 7.219 5.460 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.945 7.330 4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.935 6.241 3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.087 5.567 4.867 1.00 0.00 H new ATOM 446 N GLU A 32 -7.516 7.950 7.599 1.00 0.00 N ATOM 447 CA GLU A 32 -8.076 8.421 8.852 1.00 0.00 C ATOM 448 C GLU A 32 -9.507 8.795 8.616 1.00 0.00 C ATOM 449 O GLU A 32 -10.331 8.818 9.533 1.00 0.00 O ATOM 450 CB GLU A 32 -7.305 9.613 9.429 1.00 0.00 C ATOM 451 CG GLU A 32 -5.883 9.295 9.825 1.00 0.00 C ATOM 452 CD GLU A 32 -5.260 10.335 10.715 1.00 0.00 C ATOM 453 OE1 GLU A 32 -5.670 10.438 11.893 1.00 0.00 O ATOM 454 OE2 GLU A 32 -4.314 11.025 10.282 1.00 0.00 O ATOM 0 H GLU A 32 -6.866 8.596 7.151 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.000 7.620 9.587 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.294 10.416 8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.838 9.989 10.302 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.863 8.332 10.336 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.278 9.190 8.924 1.00 0.00 H new ATOM 461 N THR A 33 -9.793 9.033 7.371 1.00 0.00 N ATOM 462 CA THR A 33 -11.074 9.374 6.928 1.00 0.00 C ATOM 463 C THR A 33 -11.883 8.109 6.645 1.00 0.00 C ATOM 464 O THR A 33 -11.937 7.613 5.523 1.00 0.00 O ATOM 465 CB THR A 33 -10.940 10.250 5.689 1.00 0.00 C ATOM 466 OG1 THR A 33 -9.814 9.775 4.906 1.00 0.00 O ATOM 467 CG2 THR A 33 -10.725 11.702 6.081 1.00 0.00 C ATOM 0 H THR A 33 -9.101 8.988 6.623 1.00 0.00 H new ATOM 0 HA THR A 33 -11.609 9.933 7.696 1.00 0.00 H new ATOM 0 HB THR A 33 -11.856 10.191 5.101 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.717 10.329 4.104 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.632 12.312 5.182 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.575 12.050 6.669 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.814 11.788 6.674 1.00 0.00 H new ATOM 475 N ALA A 34 -12.467 7.569 7.684 1.00 0.00 N ATOM 476 CA ALA A 34 -13.221 6.346 7.586 1.00 0.00 C ATOM 477 C ALA A 34 -14.639 6.670 7.215 1.00 0.00 C ATOM 478 O ALA A 34 -15.323 5.882 6.581 1.00 0.00 O ATOM 479 CB ALA A 34 -13.172 5.576 8.894 1.00 0.00 C ATOM 0 H ALA A 34 -12.433 7.966 8.623 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.781 5.715 6.814 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.748 4.656 8.796 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.137 5.332 9.134 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.595 6.186 9.692 1.00 0.00 H new ATOM 485 N GLU A 35 -15.028 7.880 7.561 1.00 0.00 N ATOM 486 CA GLU A 35 -16.354 8.416 7.334 1.00 0.00 C ATOM 487 C GLU A 35 -16.612 8.491 5.843 1.00 0.00 C ATOM 488 O GLU A 35 -17.735 8.306 5.363 1.00 0.00 O ATOM 489 CB GLU A 35 -16.473 9.849 7.899 1.00 0.00 C ATOM 490 CG GLU A 35 -15.858 10.103 9.279 1.00 0.00 C ATOM 491 CD GLU A 35 -14.349 10.254 9.227 1.00 0.00 C ATOM 492 OE1 GLU A 35 -13.861 11.356 8.925 1.00 0.00 O ATOM 493 OE2 GLU A 35 -13.641 9.270 9.449 1.00 0.00 O ATOM 0 H GLU A 35 -14.406 8.542 8.025 1.00 0.00 H new ATOM 0 HA GLU A 35 -17.072 7.764 7.830 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -16.008 10.533 7.189 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -17.531 10.108 7.946 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -16.295 11.005 9.707 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -16.114 9.278 9.944 1.00 0.00 H new ATOM 500 N GLU A 36 -15.563 8.766 5.117 1.00 0.00 N ATOM 501 CA GLU A 36 -15.635 8.908 3.699 1.00 0.00 C ATOM 502 C GLU A 36 -14.809 7.838 2.989 1.00 0.00 C ATOM 503 O GLU A 36 -14.598 7.931 1.769 1.00 0.00 O ATOM 504 CB GLU A 36 -15.198 10.311 3.288 1.00 0.00 C ATOM 505 CG GLU A 36 -13.815 10.673 3.774 1.00 0.00 C ATOM 506 CD GLU A 36 -13.435 12.086 3.459 1.00 0.00 C ATOM 507 OE1 GLU A 36 -13.749 12.975 4.261 1.00 0.00 O ATOM 508 OE2 GLU A 36 -12.789 12.336 2.409 1.00 0.00 O ATOM 0 H GLU A 36 -14.628 8.898 5.502 1.00 0.00 H new ATOM 0 HA GLU A 36 -16.672 8.767 3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.225 10.389 2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.913 11.035 3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.763 10.521 4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.089 9.998 3.321 1.00 0.00 H new ATOM 515 N ARG A 37 -14.383 6.779 3.734 1.00 0.00 N ATOM 516 CA ARG A 37 -13.492 5.750 3.150 1.00 0.00 C ATOM 517 C ARG A 37 -14.128 5.117 1.931 1.00 0.00 C ATOM 518 O ARG A 37 -13.425 4.681 1.042 1.00 0.00 O ATOM 519 CB ARG A 37 -13.049 4.607 4.126 1.00 0.00 C ATOM 520 CG ARG A 37 -14.145 3.594 4.488 1.00 0.00 C ATOM 521 CD ARG A 37 -13.568 2.229 4.917 1.00 0.00 C ATOM 522 NE ARG A 37 -12.905 2.218 6.239 1.00 0.00 N ATOM 523 CZ ARG A 37 -12.120 1.199 6.694 1.00 0.00 C ATOM 524 NH1 ARG A 37 -11.680 0.255 5.864 1.00 0.00 N ATOM 525 NH2 ARG A 37 -11.751 1.146 7.974 1.00 0.00 N ATOM 0 H ARG A 37 -14.636 6.622 4.710 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.589 6.303 2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.215 4.070 3.675 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.677 5.060 5.045 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.756 3.997 5.296 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.803 3.454 3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.376 1.497 4.926 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.850 1.902 4.165 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.043 3.023 6.849 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.929 0.288 4.875 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.094 -0.501 6.217 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.056 1.871 8.623 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.164 0.380 8.304 1.00 0.00 H new ATOM 539 N LYS A 38 -15.464 5.097 1.902 1.00 0.00 N ATOM 540 CA LYS A 38 -16.237 4.525 0.811 1.00 0.00 C ATOM 541 C LYS A 38 -15.771 5.055 -0.544 1.00 0.00 C ATOM 542 O LYS A 38 -15.437 4.286 -1.428 1.00 0.00 O ATOM 543 CB LYS A 38 -17.752 4.800 1.002 1.00 0.00 C ATOM 544 CG LYS A 38 -18.140 6.289 1.041 1.00 0.00 C ATOM 545 CD LYS A 38 -19.633 6.477 1.162 1.00 0.00 C ATOM 546 CE LYS A 38 -20.024 7.955 1.167 1.00 0.00 C ATOM 547 NZ LYS A 38 -19.664 8.664 -0.093 1.00 0.00 N ATOM 0 H LYS A 38 -16.041 5.485 2.649 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.073 3.448 0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.299 4.318 0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.078 4.330 1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.644 6.772 1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.784 6.781 0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -20.130 5.973 0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.985 6.005 2.080 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -21.099 8.039 1.329 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.536 8.450 2.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.887 9.329 0.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.363 7.971 -0.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -20.491 9.187 -0.445 1.00 0.00 H new ATOM 561 N GLU A 39 -15.647 6.360 -0.658 1.00 0.00 N ATOM 562 CA GLU A 39 -15.341 6.933 -1.922 1.00 0.00 C ATOM 563 C GLU A 39 -13.865 6.993 -2.181 1.00 0.00 C ATOM 564 O GLU A 39 -13.445 6.966 -3.328 1.00 0.00 O ATOM 565 CB GLU A 39 -16.058 8.244 -2.157 1.00 0.00 C ATOM 566 CG GLU A 39 -15.813 9.311 -1.136 1.00 0.00 C ATOM 567 CD GLU A 39 -16.691 10.482 -1.398 1.00 0.00 C ATOM 568 OE1 GLU A 39 -16.383 11.279 -2.314 1.00 0.00 O ATOM 569 OE2 GLU A 39 -17.735 10.619 -0.717 1.00 0.00 O ATOM 0 H GLU A 39 -15.754 7.025 0.108 1.00 0.00 H new ATOM 0 HA GLU A 39 -15.738 6.255 -2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.764 8.628 -3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.129 8.048 -2.201 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -16.005 8.920 -0.137 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -14.767 9.618 -1.163 1.00 0.00 H new ATOM 576 N LEU A 40 -13.069 7.008 -1.118 1.00 0.00 N ATOM 577 CA LEU A 40 -11.635 6.937 -1.253 1.00 0.00 C ATOM 578 C LEU A 40 -11.342 5.532 -1.887 1.00 0.00 C ATOM 579 O LEU A 40 -10.667 5.390 -2.943 1.00 0.00 O ATOM 580 CB LEU A 40 -11.011 7.135 0.183 1.00 0.00 C ATOM 581 CG LEU A 40 -9.529 7.591 0.302 1.00 0.00 C ATOM 582 CD1 LEU A 40 -8.590 6.470 -0.053 1.00 0.00 C ATOM 583 CD2 LEU A 40 -9.296 8.763 -0.630 1.00 0.00 C ATOM 0 H LEU A 40 -13.401 7.069 -0.156 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.196 7.704 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.624 7.866 0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.109 6.190 0.718 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.334 7.885 1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.560 6.815 0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.753 5.631 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.776 6.151 -1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.259 9.089 -0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.505 8.459 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.956 9.585 -0.353 1.00 0.00 H new ATOM 595 N SER A 41 -12.022 4.539 -1.339 1.00 0.00 N ATOM 596 CA SER A 41 -11.928 3.167 -1.792 1.00 0.00 C ATOM 597 C SER A 41 -12.646 2.996 -3.130 1.00 0.00 C ATOM 598 O SER A 41 -12.448 2.026 -3.827 1.00 0.00 O ATOM 599 CB SER A 41 -12.558 2.253 -0.764 1.00 0.00 C ATOM 600 OG SER A 41 -12.023 2.505 0.518 1.00 0.00 O ATOM 0 H SER A 41 -12.663 4.668 -0.556 1.00 0.00 H new ATOM 0 HA SER A 41 -10.876 2.911 -1.921 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.638 2.402 -0.749 1.00 0.00 H new ATOM 0 HB3 SER A 41 -12.384 1.213 -1.039 1.00 0.00 H new ATOM 0 HG SER A 41 -12.563 3.187 0.970 1.00 0.00 H new ATOM 606 N ASP A 42 -13.487 3.942 -3.457 1.00 0.00 N ATOM 607 CA ASP A 42 -14.225 3.936 -4.704 1.00 0.00 C ATOM 608 C ASP A 42 -13.337 4.208 -5.871 1.00 0.00 C ATOM 609 O ASP A 42 -13.491 3.585 -6.894 1.00 0.00 O ATOM 610 CB ASP A 42 -15.310 4.937 -4.648 1.00 0.00 C ATOM 611 CG ASP A 42 -16.173 4.972 -5.877 1.00 0.00 C ATOM 612 OD1 ASP A 42 -17.126 4.174 -5.973 1.00 0.00 O ATOM 613 OD2 ASP A 42 -15.929 5.823 -6.753 1.00 0.00 O ATOM 0 H ASP A 42 -13.684 4.748 -2.864 1.00 0.00 H new ATOM 0 HA ASP A 42 -14.651 2.942 -4.838 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -15.938 4.729 -3.782 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -14.873 5.924 -4.495 1.00 0.00 H new ATOM 618 N LYS A 43 -12.395 5.152 -5.732 1.00 0.00 N ATOM 619 CA LYS A 43 -11.398 5.349 -6.812 1.00 0.00 C ATOM 620 C LYS A 43 -10.564 4.079 -6.879 1.00 0.00 C ATOM 621 O LYS A 43 -10.213 3.529 -7.969 1.00 0.00 O ATOM 622 CB LYS A 43 -10.401 6.520 -6.556 1.00 0.00 C ATOM 623 CG LYS A 43 -10.967 7.915 -6.291 1.00 0.00 C ATOM 624 CD LYS A 43 -11.220 8.127 -4.816 1.00 0.00 C ATOM 625 CE LYS A 43 -11.773 9.511 -4.485 1.00 0.00 C ATOM 626 NZ LYS A 43 -10.802 10.605 -4.736 1.00 0.00 N ATOM 0 H LYS A 43 -12.296 5.769 -4.925 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.951 5.582 -7.722 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.780 6.246 -5.703 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.741 6.589 -7.421 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.270 8.669 -6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.896 8.045 -6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.921 7.371 -4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.288 7.977 -4.271 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.670 9.688 -5.078 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.073 9.534 -3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.153 11.486 -4.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.884 10.357 -4.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.688 10.740 -5.761 1.00 0.00 H new ATOM 640 N LEU A 44 -10.316 3.569 -5.697 1.00 0.00 N ATOM 641 CA LEU A 44 -9.478 2.439 -5.519 1.00 0.00 C ATOM 642 C LEU A 44 -10.104 1.153 -6.013 1.00 0.00 C ATOM 643 O LEU A 44 -9.402 0.193 -6.283 1.00 0.00 O ATOM 644 CB LEU A 44 -9.195 2.345 -4.079 1.00 0.00 C ATOM 645 CG LEU A 44 -8.372 3.487 -3.497 1.00 0.00 C ATOM 646 CD1 LEU A 44 -8.214 3.319 -2.028 1.00 0.00 C ATOM 647 CD2 LEU A 44 -7.021 3.601 -4.173 1.00 0.00 C ATOM 0 H LEU A 44 -10.702 3.942 -4.829 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.570 2.570 -6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.143 2.293 -3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.670 1.409 -3.890 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.912 4.415 -3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.623 4.144 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.196 3.313 -1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.707 2.377 -1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.462 4.426 -3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.466 2.673 -4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.161 3.786 -5.238 1.00 0.00 H new ATOM 659 N LYS A 45 -11.403 1.152 -6.164 1.00 0.00 N ATOM 660 CA LYS A 45 -12.115 -0.048 -6.571 1.00 0.00 C ATOM 661 C LYS A 45 -11.741 -0.439 -8.003 1.00 0.00 C ATOM 662 O LYS A 45 -11.271 -1.530 -8.212 1.00 0.00 O ATOM 663 CB LYS A 45 -13.652 0.066 -6.379 1.00 0.00 C ATOM 664 CG LYS A 45 -14.430 -1.201 -6.759 1.00 0.00 C ATOM 665 CD LYS A 45 -15.943 -0.972 -6.739 1.00 0.00 C ATOM 666 CE LYS A 45 -16.397 -0.008 -7.847 1.00 0.00 C ATOM 667 NZ LYS A 45 -16.203 -0.572 -9.213 1.00 0.00 N ATOM 0 H LYS A 45 -11.997 1.967 -6.013 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.796 -0.851 -5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.860 0.307 -5.336 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.021 0.899 -6.978 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.126 -1.529 -7.753 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.176 -2.004 -6.067 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.455 -1.927 -6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.236 -0.572 -5.768 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.450 0.234 -7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.841 0.926 -7.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.548 0.033 -9.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.807 -1.531 -9.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.118 -0.612 -9.705 1.00 0.00 H new ATOM 681 N PRO A 46 -11.891 0.461 -9.010 1.00 0.00 N ATOM 682 CA PRO A 46 -11.518 0.178 -10.405 1.00 0.00 C ATOM 683 C PRO A 46 -10.045 -0.007 -10.524 1.00 0.00 C ATOM 684 O PRO A 46 -9.578 -0.908 -11.257 1.00 0.00 O ATOM 685 CB PRO A 46 -11.905 1.455 -11.089 1.00 0.00 C ATOM 686 CG PRO A 46 -13.001 1.910 -10.260 1.00 0.00 C ATOM 687 CD PRO A 46 -12.440 1.807 -8.930 1.00 0.00 C ATOM 0 HA PRO A 46 -11.985 -0.721 -10.808 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.084 2.172 -11.113 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -12.214 1.290 -12.121 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.296 2.932 -10.500 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.887 1.286 -10.378 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.677 2.561 -8.737 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -13.193 1.908 -8.148 1.00 0.00 H new ATOM 695 N ILE A 47 -9.286 0.826 -9.765 1.00 0.00 N ATOM 696 CA ILE A 47 -7.841 0.692 -9.754 1.00 0.00 C ATOM 697 C ILE A 47 -7.462 -0.739 -9.411 1.00 0.00 C ATOM 698 O ILE A 47 -6.622 -1.325 -10.053 1.00 0.00 O ATOM 699 CB ILE A 47 -7.182 1.656 -8.742 1.00 0.00 C ATOM 700 CG1 ILE A 47 -7.433 3.094 -9.159 1.00 0.00 C ATOM 701 CG2 ILE A 47 -5.675 1.392 -8.619 1.00 0.00 C ATOM 702 CD1 ILE A 47 -6.959 4.092 -8.148 1.00 0.00 C ATOM 0 H ILE A 47 -9.656 1.571 -9.175 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.477 0.949 -10.749 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.631 1.482 -7.764 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.933 3.283 -10.109 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.501 3.236 -9.327 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.241 2.087 -7.900 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.511 0.369 -8.280 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.201 1.532 -9.590 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.168 5.100 -8.506 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.478 3.928 -7.204 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.886 3.976 -7.997 1.00 0.00 H new ATOM 714 N ALA A 48 -8.205 -1.325 -8.500 1.00 0.00 N ATOM 715 CA ALA A 48 -7.875 -2.654 -8.004 1.00 0.00 C ATOM 716 C ALA A 48 -8.606 -3.709 -8.761 1.00 0.00 C ATOM 717 O ALA A 48 -8.255 -4.845 -8.712 1.00 0.00 O ATOM 718 CB ALA A 48 -8.200 -2.775 -6.544 1.00 0.00 C ATOM 0 H ALA A 48 -9.039 -0.910 -8.085 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.804 -2.796 -8.147 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.945 -3.776 -6.196 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.627 -2.038 -5.981 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.265 -2.599 -6.392 1.00 0.00 H new ATOM 724 N GLU A 49 -9.618 -3.324 -9.456 1.00 0.00 N ATOM 725 CA GLU A 49 -10.390 -4.199 -10.254 1.00 0.00 C ATOM 726 C GLU A 49 -9.577 -4.541 -11.504 1.00 0.00 C ATOM 727 O GLU A 49 -9.844 -5.523 -12.196 1.00 0.00 O ATOM 728 CB GLU A 49 -11.642 -3.446 -10.611 1.00 0.00 C ATOM 729 CG GLU A 49 -12.911 -4.187 -10.397 1.00 0.00 C ATOM 730 CD GLU A 49 -14.111 -3.317 -10.661 1.00 0.00 C ATOM 731 OE1 GLU A 49 -14.586 -2.626 -9.742 1.00 0.00 O ATOM 732 OE2 GLU A 49 -14.608 -3.302 -11.795 1.00 0.00 O ATOM 0 H GLU A 49 -9.939 -2.356 -9.483 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.644 -5.129 -9.746 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.673 -2.528 -10.025 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.584 -3.153 -11.659 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.940 -5.057 -11.053 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.948 -4.558 -9.373 1.00 0.00 H new ATOM 739 N ALA A 50 -8.570 -3.719 -11.762 1.00 0.00 N ATOM 740 CA ALA A 50 -7.654 -3.915 -12.867 1.00 0.00 C ATOM 741 C ALA A 50 -6.543 -4.874 -12.457 1.00 0.00 C ATOM 742 O ALA A 50 -5.906 -5.527 -13.288 1.00 0.00 O ATOM 743 CB ALA A 50 -7.033 -2.585 -13.216 1.00 0.00 C ATOM 0 H ALA A 50 -8.367 -2.891 -11.203 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.195 -4.327 -13.719 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.340 -2.714 -14.047 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.815 -1.882 -13.502 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.495 -2.197 -12.351 1.00 0.00 H new ATOM 749 N GLN A 51 -6.364 -4.988 -11.172 1.00 0.00 N ATOM 750 CA GLN A 51 -5.259 -5.704 -10.574 1.00 0.00 C ATOM 751 C GLN A 51 -5.733 -6.530 -9.401 1.00 0.00 C ATOM 752 O GLN A 51 -5.013 -6.788 -8.444 1.00 0.00 O ATOM 753 CB GLN A 51 -4.217 -4.678 -10.202 1.00 0.00 C ATOM 754 CG GLN A 51 -4.715 -3.479 -9.478 1.00 0.00 C ATOM 755 CD GLN A 51 -3.622 -2.480 -9.245 1.00 0.00 C ATOM 756 OE1 GLN A 51 -3.619 -1.757 -8.281 1.00 0.00 O ATOM 757 NE2 GLN A 51 -2.688 -2.413 -10.154 1.00 0.00 N ATOM 0 H GLN A 51 -6.997 -4.576 -10.487 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.818 -6.420 -11.268 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.461 -5.164 -9.584 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.719 -4.347 -11.114 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.517 -3.014 -10.052 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.141 -3.782 -8.522 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.715 -3.037 -10.960 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.931 -1.736 -10.058 1.00 0.00 H new ATOM 766 N ARG A 52 -6.905 -7.067 -9.608 1.00 0.00 N ATOM 767 CA ARG A 52 -7.708 -7.794 -8.637 1.00 0.00 C ATOM 768 C ARG A 52 -7.064 -9.105 -8.199 1.00 0.00 C ATOM 769 O ARG A 52 -7.325 -9.611 -7.103 1.00 0.00 O ATOM 770 CB ARG A 52 -9.092 -8.036 -9.270 1.00 0.00 C ATOM 771 CG ARG A 52 -9.046 -8.848 -10.571 1.00 0.00 C ATOM 772 CD ARG A 52 -10.420 -9.026 -11.190 1.00 0.00 C ATOM 773 NE ARG A 52 -10.344 -9.703 -12.501 1.00 0.00 N ATOM 774 CZ ARG A 52 -11.375 -9.893 -13.343 1.00 0.00 C ATOM 775 NH1 ARG A 52 -12.616 -9.593 -12.975 1.00 0.00 N ATOM 776 NH2 ARG A 52 -11.159 -10.438 -14.536 1.00 0.00 N ATOM 0 H ARG A 52 -7.363 -7.009 -10.518 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.796 -7.200 -7.728 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.724 -8.556 -8.550 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.563 -7.073 -9.470 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.391 -8.349 -11.285 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.611 -9.827 -10.370 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.050 -9.607 -10.516 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.894 -8.052 -11.310 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.432 -10.056 -12.792 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.795 -9.214 -12.045 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.390 -9.742 -13.623 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.215 -10.710 -14.809 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.938 -10.584 -15.178 1.00 0.00 H new ATOM 790 N GLY A 53 -6.230 -9.638 -9.038 1.00 0.00 N ATOM 791 CA GLY A 53 -5.584 -10.874 -8.738 1.00 0.00 C ATOM 792 C GLY A 53 -4.103 -10.727 -8.627 1.00 0.00 C ATOM 793 O GLY A 53 -3.390 -11.718 -8.538 1.00 0.00 O ATOM 0 H GLY A 53 -5.981 -9.232 -9.940 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.979 -11.270 -7.802 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.817 -11.601 -9.515 1.00 0.00 H new ATOM 797 N VAL A 54 -3.629 -9.505 -8.627 1.00 0.00 N ATOM 798 CA VAL A 54 -2.208 -9.282 -8.524 1.00 0.00 C ATOM 799 C VAL A 54 -1.873 -8.397 -7.323 1.00 0.00 C ATOM 800 O VAL A 54 -0.836 -8.565 -6.694 1.00 0.00 O ATOM 801 CB VAL A 54 -1.571 -8.746 -9.856 1.00 0.00 C ATOM 802 CG1 VAL A 54 -2.070 -7.370 -10.230 1.00 0.00 C ATOM 803 CG2 VAL A 54 -0.047 -8.786 -9.806 1.00 0.00 C ATOM 0 H VAL A 54 -4.197 -8.661 -8.696 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.749 -10.256 -8.354 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.899 -9.423 -10.645 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.596 -7.051 -11.158 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.151 -7.400 -10.366 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.823 -6.665 -9.436 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.358 -8.408 -10.745 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.306 -8.166 -8.982 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.285 -9.813 -9.655 1.00 0.00 H new ATOM 813 N ILE A 55 -2.747 -7.467 -6.985 1.00 0.00 N ATOM 814 CA ILE A 55 -2.509 -6.651 -5.811 1.00 0.00 C ATOM 815 C ILE A 55 -3.676 -6.774 -4.839 1.00 0.00 C ATOM 816 O ILE A 55 -4.841 -6.740 -5.239 1.00 0.00 O ATOM 817 CB ILE A 55 -2.207 -5.161 -6.158 1.00 0.00 C ATOM 818 CG1 ILE A 55 -0.942 -5.075 -6.999 1.00 0.00 C ATOM 819 CG2 ILE A 55 -1.991 -4.369 -4.883 1.00 0.00 C ATOM 820 CD1 ILE A 55 -0.621 -3.678 -7.508 1.00 0.00 C ATOM 0 H ILE A 55 -3.607 -7.261 -7.493 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.609 -7.032 -5.329 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.053 -4.753 -6.711 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.101 -5.435 -6.406 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.041 -5.746 -7.852 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.780 -3.329 -5.132 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.888 -4.420 -4.267 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.149 -4.788 -4.333 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.295 -3.707 -8.098 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.441 -3.320 -8.130 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.487 -3.004 -6.662 1.00 0.00 H new ATOM 832 N ASN A 56 -3.366 -6.948 -3.570 1.00 0.00 N ATOM 833 CA ASN A 56 -4.378 -7.133 -2.564 1.00 0.00 C ATOM 834 C ASN A 56 -4.702 -5.805 -1.934 1.00 0.00 C ATOM 835 O ASN A 56 -3.928 -5.312 -1.150 1.00 0.00 O ATOM 836 CB ASN A 56 -3.876 -8.025 -1.438 1.00 0.00 C ATOM 837 CG ASN A 56 -3.164 -9.286 -1.857 1.00 0.00 C ATOM 838 OD1 ASN A 56 -3.774 -10.326 -2.067 1.00 0.00 O ATOM 839 ND2 ASN A 56 -1.868 -9.210 -1.950 1.00 0.00 N ATOM 0 H ASN A 56 -2.410 -6.964 -3.214 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.244 -7.583 -3.050 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.200 -7.441 -0.813 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.726 -8.302 -0.815 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.326 -10.035 -2.206 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.395 -8.325 -1.767 1.00 0.00 H new ATOM 846 N PHE A 57 -5.791 -5.212 -2.290 1.00 0.00 N ATOM 847 CA PHE A 57 -6.201 -3.969 -1.659 1.00 0.00 C ATOM 848 C PHE A 57 -6.869 -4.210 -0.317 1.00 0.00 C ATOM 849 O PHE A 57 -7.638 -5.149 -0.137 1.00 0.00 O ATOM 850 CB PHE A 57 -7.088 -3.110 -2.574 1.00 0.00 C ATOM 851 CG PHE A 57 -6.332 -2.362 -3.632 1.00 0.00 C ATOM 852 CD1 PHE A 57 -5.542 -3.030 -4.547 1.00 0.00 C ATOM 853 CD2 PHE A 57 -6.396 -0.979 -3.693 1.00 0.00 C ATOM 854 CE1 PHE A 57 -4.838 -2.333 -5.503 1.00 0.00 C ATOM 855 CE2 PHE A 57 -5.690 -0.279 -4.645 1.00 0.00 C ATOM 856 CZ PHE A 57 -4.912 -0.955 -5.550 1.00 0.00 C ATOM 0 H PHE A 57 -6.424 -5.555 -3.013 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.287 -3.403 -1.478 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.825 -3.753 -3.055 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.639 -2.396 -1.962 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.476 -4.107 -4.512 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.009 -0.443 -2.983 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.227 -2.865 -6.217 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.748 0.799 -4.679 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.357 -0.410 -6.299 1.00 0.00 H new ATOM 866 N GLY A 58 -6.546 -3.379 0.595 1.00 0.00 N ATOM 867 CA GLY A 58 -7.071 -3.428 1.927 1.00 0.00 C ATOM 868 C GLY A 58 -7.098 -2.050 2.539 1.00 0.00 C ATOM 869 O GLY A 58 -6.053 -1.441 2.738 1.00 0.00 O ATOM 0 H GLY A 58 -5.888 -2.615 0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.078 -3.844 1.911 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.461 -4.092 2.540 1.00 0.00 H new ATOM 873 N THR A 59 -8.265 -1.534 2.782 1.00 0.00 N ATOM 874 CA THR A 59 -8.400 -0.265 3.437 1.00 0.00 C ATOM 875 C THR A 59 -8.341 -0.463 4.943 1.00 0.00 C ATOM 876 O THR A 59 -8.988 -1.375 5.498 1.00 0.00 O ATOM 877 CB THR A 59 -9.702 0.478 3.021 1.00 0.00 C ATOM 878 OG1 THR A 59 -10.853 -0.360 3.219 1.00 0.00 O ATOM 879 CG2 THR A 59 -9.641 0.887 1.567 1.00 0.00 C ATOM 0 H THR A 59 -9.149 -1.978 2.533 1.00 0.00 H new ATOM 0 HA THR A 59 -7.570 0.368 3.123 1.00 0.00 H new ATOM 0 HB THR A 59 -9.788 1.366 3.647 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.661 0.126 2.953 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.561 1.405 1.296 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.791 1.551 1.411 1.00 0.00 H new ATOM 0 HG23 THR A 59 -9.527 -0.000 0.944 1.00 0.00 H new ATOM 887 N ILE A 60 -7.550 0.338 5.579 1.00 0.00 N ATOM 888 CA ILE A 60 -7.311 0.262 6.979 1.00 0.00 C ATOM 889 C ILE A 60 -7.452 1.643 7.569 1.00 0.00 C ATOM 890 O ILE A 60 -7.143 2.650 6.922 1.00 0.00 O ATOM 891 CB ILE A 60 -5.902 -0.344 7.260 1.00 0.00 C ATOM 892 CG1 ILE A 60 -5.576 -0.384 8.760 1.00 0.00 C ATOM 893 CG2 ILE A 60 -4.814 0.355 6.460 1.00 0.00 C ATOM 894 CD1 ILE A 60 -4.208 -0.937 9.067 1.00 0.00 C ATOM 0 H ILE A 60 -7.035 1.089 5.119 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.041 -0.398 7.448 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.932 -1.379 6.919 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.650 0.625 9.166 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.326 -0.989 9.270 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.849 -0.098 6.686 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.023 0.253 5.395 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.790 1.412 6.725 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.048 -0.935 10.145 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.136 -1.958 8.692 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.450 -0.319 8.586 1.00 0.00 H new ATOM 906 N ASP A 61 -7.950 1.689 8.757 1.00 0.00 N ATOM 907 CA ASP A 61 -8.200 2.924 9.436 1.00 0.00 C ATOM 908 C ASP A 61 -6.892 3.516 9.873 1.00 0.00 C ATOM 909 O ASP A 61 -6.135 2.879 10.606 1.00 0.00 O ATOM 910 CB ASP A 61 -9.019 2.652 10.661 1.00 0.00 C ATOM 911 CG ASP A 61 -9.702 3.860 11.191 1.00 0.00 C ATOM 912 OD1 ASP A 61 -9.032 4.818 11.528 1.00 0.00 O ATOM 913 OD2 ASP A 61 -10.936 3.853 11.282 1.00 0.00 O ATOM 0 H ASP A 61 -8.200 0.860 9.296 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.725 3.607 8.769 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.766 1.893 10.429 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.374 2.238 11.436 1.00 0.00 H new ATOM 918 N ALA A 62 -6.630 4.721 9.468 1.00 0.00 N ATOM 919 CA ALA A 62 -5.386 5.354 9.831 1.00 0.00 C ATOM 920 C ALA A 62 -5.539 6.165 11.097 1.00 0.00 C ATOM 921 O ALA A 62 -4.599 6.803 11.562 1.00 0.00 O ATOM 922 CB ALA A 62 -4.839 6.197 8.702 1.00 0.00 C ATOM 0 H ALA A 62 -7.251 5.287 8.890 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.661 4.564 10.025 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.901 6.658 9.013 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.662 5.567 7.830 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.559 6.975 8.447 1.00 0.00 H new ATOM 928 N LYS A 63 -6.712 6.128 11.655 1.00 0.00 N ATOM 929 CA LYS A 63 -6.987 6.833 12.877 1.00 0.00 C ATOM 930 C LYS A 63 -6.931 5.838 14.028 1.00 0.00 C ATOM 931 O LYS A 63 -6.567 6.177 15.150 1.00 0.00 O ATOM 932 CB LYS A 63 -8.363 7.496 12.779 1.00 0.00 C ATOM 933 CG LYS A 63 -8.838 8.184 14.039 1.00 0.00 C ATOM 934 CD LYS A 63 -10.231 8.811 13.867 1.00 0.00 C ATOM 935 CE LYS A 63 -10.249 9.895 12.787 1.00 0.00 C ATOM 936 NZ LYS A 63 -11.590 10.500 12.626 1.00 0.00 N ATOM 0 H LYS A 63 -7.506 5.610 11.279 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.248 7.616 13.051 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.339 8.228 11.972 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.095 6.738 12.500 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.864 7.464 14.857 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.124 8.959 14.319 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.949 8.032 13.609 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.554 9.240 14.815 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.530 10.673 13.043 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.930 9.465 11.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.555 11.229 11.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.273 9.764 12.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.885 10.934 13.524 1.00 0.00 H new ATOM 950 N ALA A 64 -7.293 4.610 13.730 1.00 0.00 N ATOM 951 CA ALA A 64 -7.252 3.548 14.693 1.00 0.00 C ATOM 952 C ALA A 64 -5.967 2.736 14.565 1.00 0.00 C ATOM 953 O ALA A 64 -5.336 2.413 15.574 1.00 0.00 O ATOM 954 CB ALA A 64 -8.472 2.646 14.553 1.00 0.00 C ATOM 0 H ALA A 64 -7.624 4.326 12.808 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.267 3.998 15.686 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.421 1.847 15.293 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.378 3.231 14.713 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.492 2.213 13.553 1.00 0.00 H new ATOM 960 N PHE A 65 -5.571 2.398 13.338 1.00 0.00 N ATOM 961 CA PHE A 65 -4.373 1.607 13.132 1.00 0.00 C ATOM 962 C PHE A 65 -3.354 2.350 12.275 1.00 0.00 C ATOM 963 O PHE A 65 -2.489 1.724 11.653 1.00 0.00 O ATOM 964 CB PHE A 65 -4.703 0.315 12.406 1.00 0.00 C ATOM 965 CG PHE A 65 -5.624 -0.633 13.100 1.00 0.00 C ATOM 966 CD1 PHE A 65 -5.132 -1.546 14.013 1.00 0.00 C ATOM 967 CD2 PHE A 65 -6.977 -0.639 12.813 1.00 0.00 C ATOM 968 CE1 PHE A 65 -5.972 -2.442 14.635 1.00 0.00 C ATOM 969 CE2 PHE A 65 -7.821 -1.535 13.425 1.00 0.00 C ATOM 970 CZ PHE A 65 -7.318 -2.438 14.337 1.00 0.00 C ATOM 0 H PHE A 65 -6.062 2.660 12.483 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.960 1.407 14.121 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.142 0.570 11.442 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.769 -0.208 12.202 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.076 -1.557 14.241 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.375 0.068 12.100 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.578 -3.145 15.354 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.876 -1.531 13.192 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.979 -3.143 14.819 1.00 0.00 H new ATOM 980 N GLY A 66 -3.394 3.656 12.299 1.00 0.00 N ATOM 981 CA GLY A 66 -2.602 4.428 11.363 1.00 0.00 C ATOM 982 C GLY A 66 -1.129 4.414 11.580 1.00 0.00 C ATOM 983 O GLY A 66 -0.383 4.754 10.663 1.00 0.00 O ATOM 0 H GLY A 66 -3.958 4.207 12.946 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.804 4.059 10.357 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.943 5.463 11.397 1.00 0.00 H new ATOM 987 N ALA A 67 -0.693 3.991 12.752 1.00 0.00 N ATOM 988 CA ALA A 67 0.727 3.907 13.054 1.00 0.00 C ATOM 989 C ALA A 67 1.418 2.996 12.054 1.00 0.00 C ATOM 990 O ALA A 67 2.528 3.279 11.584 1.00 0.00 O ATOM 991 CB ALA A 67 0.948 3.394 14.468 1.00 0.00 C ATOM 0 H ALA A 67 -1.304 3.699 13.515 1.00 0.00 H new ATOM 0 HA ALA A 67 1.155 4.907 12.981 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.017 3.339 14.672 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.477 4.073 15.179 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.508 2.402 14.568 1.00 0.00 H new ATOM 997 N HIS A 68 0.704 1.959 11.648 1.00 0.00 N ATOM 998 CA HIS A 68 1.226 0.966 10.734 1.00 0.00 C ATOM 999 C HIS A 68 1.634 1.552 9.375 1.00 0.00 C ATOM 1000 O HIS A 68 2.484 0.981 8.702 1.00 0.00 O ATOM 1001 CB HIS A 68 0.257 -0.220 10.563 1.00 0.00 C ATOM 1002 CG HIS A 68 0.132 -1.102 11.770 1.00 0.00 C ATOM 1003 ND1 HIS A 68 0.758 -2.330 11.897 1.00 0.00 N ATOM 1004 CD2 HIS A 68 -0.584 -0.932 12.908 1.00 0.00 C ATOM 1005 CE1 HIS A 68 0.410 -2.849 13.074 1.00 0.00 C ATOM 1006 NE2 HIS A 68 -0.405 -2.038 13.730 1.00 0.00 N ATOM 0 H HIS A 68 -0.256 1.785 11.946 1.00 0.00 H new ATOM 0 HA HIS A 68 2.140 0.589 11.194 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.730 0.167 10.308 1.00 0.00 H new ATOM 0 HB3 HIS A 68 0.589 -0.825 9.720 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.197 -0.073 13.139 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.748 -3.806 13.444 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.817 -2.193 14.650 1.00 0.00 H new ATOM 1014 N ALA A 69 1.079 2.732 9.008 1.00 0.00 N ATOM 1015 CA ALA A 69 1.377 3.370 7.708 1.00 0.00 C ATOM 1016 C ALA A 69 2.828 3.703 7.616 1.00 0.00 C ATOM 1017 O ALA A 69 3.415 3.710 6.544 1.00 0.00 O ATOM 1018 CB ALA A 69 0.567 4.642 7.498 1.00 0.00 C ATOM 0 H ALA A 69 0.427 3.257 9.591 1.00 0.00 H new ATOM 0 HA ALA A 69 1.104 2.654 6.932 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.818 5.077 6.531 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.497 4.405 7.525 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.799 5.356 8.288 1.00 0.00 H new ATOM 1024 N GLY A 70 3.407 4.007 8.727 1.00 0.00 N ATOM 1025 CA GLY A 70 4.810 4.289 8.705 1.00 0.00 C ATOM 1026 C GLY A 70 5.634 3.441 9.593 1.00 0.00 C ATOM 1027 O GLY A 70 6.818 3.691 9.773 1.00 0.00 O ATOM 0 H GLY A 70 2.953 4.067 9.638 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.171 4.177 7.683 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.960 5.332 8.983 1.00 0.00 H new ATOM 1031 N ASN A 71 5.030 2.411 10.135 1.00 0.00 N ATOM 1032 CA ASN A 71 5.812 1.358 10.782 1.00 0.00 C ATOM 1033 C ASN A 71 6.460 0.561 9.666 1.00 0.00 C ATOM 1034 O ASN A 71 7.417 -0.183 9.871 1.00 0.00 O ATOM 1035 CB ASN A 71 4.941 0.437 11.667 1.00 0.00 C ATOM 1036 CG ASN A 71 4.593 1.008 13.052 1.00 0.00 C ATOM 1037 OD1 ASN A 71 4.344 0.255 13.995 1.00 0.00 O ATOM 1038 ND2 ASN A 71 4.591 2.302 13.199 1.00 0.00 N ATOM 0 H ASN A 71 4.020 2.270 10.148 1.00 0.00 H new ATOM 0 HA ASN A 71 6.551 1.800 11.450 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.014 0.219 11.137 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.462 -0.511 11.802 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.380 2.712 14.109 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.800 2.906 12.404 1.00 0.00 H new ATOM 1045 N LEU A 72 5.907 0.768 8.461 1.00 0.00 N ATOM 1046 CA LEU A 72 6.376 0.183 7.265 1.00 0.00 C ATOM 1047 C LEU A 72 7.247 1.184 6.501 1.00 0.00 C ATOM 1048 O LEU A 72 8.088 0.776 5.726 1.00 0.00 O ATOM 1049 CB LEU A 72 5.164 -0.316 6.407 1.00 0.00 C ATOM 1050 CG LEU A 72 4.148 0.729 5.837 1.00 0.00 C ATOM 1051 CD1 LEU A 72 4.688 1.493 4.645 1.00 0.00 C ATOM 1052 CD2 LEU A 72 2.840 0.085 5.455 1.00 0.00 C ATOM 0 H LEU A 72 5.097 1.372 8.323 1.00 0.00 H new ATOM 0 HA LEU A 72 6.996 -0.683 7.495 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.568 -0.874 5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.600 -1.023 7.016 1.00 0.00 H new ATOM 0 HG LEU A 72 3.983 1.438 6.648 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.937 2.202 4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.589 2.033 4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.928 0.794 3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.162 0.843 5.064 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.017 -0.673 4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.394 -0.382 6.333 1.00 0.00 H new ATOM 1064 N ASN A 73 7.012 2.517 6.711 1.00 0.00 N ATOM 1065 CA ASN A 73 7.803 3.557 5.977 1.00 0.00 C ATOM 1066 C ASN A 73 7.381 5.000 6.285 1.00 0.00 C ATOM 1067 O ASN A 73 8.189 5.805 6.751 1.00 0.00 O ATOM 1068 CB ASN A 73 7.599 3.358 4.500 1.00 0.00 C ATOM 1069 CG ASN A 73 8.729 3.878 3.654 1.00 0.00 C ATOM 1070 OD1 ASN A 73 8.677 4.990 3.135 1.00 0.00 O ATOM 1071 ND2 ASN A 73 9.771 3.085 3.534 1.00 0.00 N ATOM 0 H ASN A 73 6.312 2.885 7.355 1.00 0.00 H new ATOM 0 HA ASN A 73 8.837 3.431 6.298 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.469 2.294 4.301 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.676 3.854 4.200 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.581 3.386 2.992 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.769 2.169 3.983 1.00 0.00 H new ATOM 1078 N LEU A 74 6.106 5.313 5.992 1.00 0.00 N ATOM 1079 CA LEU A 74 5.563 6.679 6.040 1.00 0.00 C ATOM 1080 C LEU A 74 5.766 7.455 7.339 1.00 0.00 C ATOM 1081 O LEU A 74 5.971 6.910 8.416 1.00 0.00 O ATOM 1082 CB LEU A 74 4.090 6.687 5.643 1.00 0.00 C ATOM 1083 CG LEU A 74 3.795 6.295 4.202 1.00 0.00 C ATOM 1084 CD1 LEU A 74 2.341 6.301 3.932 1.00 0.00 C ATOM 1085 CD2 LEU A 74 4.541 7.154 3.205 1.00 0.00 C ATOM 0 H LEU A 74 5.417 4.615 5.712 1.00 0.00 H new ATOM 0 HA LEU A 74 6.167 7.221 5.312 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.551 6.008 6.303 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.690 7.686 5.818 1.00 0.00 H new ATOM 0 HG LEU A 74 4.159 5.276 4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.162 6.017 2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.845 5.590 4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.942 7.300 4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.295 6.833 2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.252 8.197 3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.614 7.052 3.368 1.00 0.00 H new ATOM 1097 N LYS A 75 5.666 8.747 7.198 1.00 0.00 N ATOM 1098 CA LYS A 75 5.830 9.679 8.282 1.00 0.00 C ATOM 1099 C LYS A 75 4.662 9.652 9.290 1.00 0.00 C ATOM 1100 O LYS A 75 4.812 10.051 10.440 1.00 0.00 O ATOM 1101 CB LYS A 75 6.068 11.076 7.703 1.00 0.00 C ATOM 1102 CG LYS A 75 6.027 12.163 8.721 1.00 0.00 C ATOM 1103 CD LYS A 75 6.429 13.506 8.157 1.00 0.00 C ATOM 1104 CE LYS A 75 6.537 14.550 9.265 1.00 0.00 C ATOM 1105 NZ LYS A 75 7.532 14.160 10.300 1.00 0.00 N ATOM 0 H LYS A 75 5.463 9.194 6.304 1.00 0.00 H new ATOM 0 HA LYS A 75 6.701 9.378 8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.038 11.093 7.206 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.315 11.276 6.940 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.020 12.233 9.132 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.691 11.907 9.547 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.385 13.417 7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.696 13.829 7.417 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.820 15.510 8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.562 14.686 9.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.840 15.005 10.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.098 13.484 10.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.354 13.717 9.842 1.00 0.00 H new ATOM 1119 N THR A 76 3.549 9.097 8.869 1.00 0.00 N ATOM 1120 CA THR A 76 2.304 9.051 9.664 1.00 0.00 C ATOM 1121 C THR A 76 1.896 10.422 10.236 1.00 0.00 C ATOM 1122 O THR A 76 1.828 10.613 11.454 1.00 0.00 O ATOM 1123 CB THR A 76 2.348 7.965 10.785 1.00 0.00 C ATOM 1124 OG1 THR A 76 3.594 7.988 11.525 1.00 0.00 O ATOM 1125 CG2 THR A 76 2.129 6.602 10.210 1.00 0.00 C ATOM 0 H THR A 76 3.463 8.654 7.954 1.00 0.00 H new ATOM 0 HA THR A 76 1.527 8.762 8.957 1.00 0.00 H new ATOM 0 HB THR A 76 1.543 8.200 11.481 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.971 8.892 11.503 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.164 5.861 11.008 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.155 6.565 9.722 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.909 6.386 9.480 1.00 0.00 H new ATOM 1133 N ASP A 77 1.715 11.380 9.362 1.00 0.00 N ATOM 1134 CA ASP A 77 1.381 12.743 9.778 1.00 0.00 C ATOM 1135 C ASP A 77 0.268 13.375 8.963 1.00 0.00 C ATOM 1136 O ASP A 77 -0.329 14.362 9.381 1.00 0.00 O ATOM 1137 CB ASP A 77 2.606 13.609 9.565 1.00 0.00 C ATOM 1138 CG ASP A 77 3.003 13.697 8.093 1.00 0.00 C ATOM 1139 OD1 ASP A 77 3.086 12.642 7.416 1.00 0.00 O ATOM 1140 OD2 ASP A 77 3.220 14.805 7.582 1.00 0.00 O ATOM 0 H ASP A 77 1.791 11.253 8.353 1.00 0.00 H new ATOM 0 HA ASP A 77 1.054 12.682 10.816 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.411 14.611 9.947 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.439 13.205 10.140 1.00 0.00 H new ATOM 1145 N LYS A 78 -0.007 12.841 7.823 1.00 0.00 N ATOM 1146 CA LYS A 78 -0.854 13.547 6.891 1.00 0.00 C ATOM 1147 C LYS A 78 -2.141 12.744 6.556 1.00 0.00 C ATOM 1148 O LYS A 78 -2.546 11.877 7.341 1.00 0.00 O ATOM 1149 CB LYS A 78 0.019 13.874 5.673 1.00 0.00 C ATOM 1150 CG LYS A 78 -0.335 15.136 4.885 1.00 0.00 C ATOM 1151 CD LYS A 78 -0.368 16.415 5.737 1.00 0.00 C ATOM 1152 CE LYS A 78 0.931 16.681 6.514 1.00 0.00 C ATOM 1153 NZ LYS A 78 2.148 16.677 5.668 1.00 0.00 N ATOM 0 H LYS A 78 0.330 11.932 7.506 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.237 14.474 7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.052 13.964 6.010 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.021 13.026 4.990 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.390 15.266 4.081 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.309 14.998 4.416 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.572 17.267 5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.195 16.347 6.444 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.852 17.646 7.015 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.039 15.925 7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.719 15.836 5.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.874 16.659 4.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.706 17.533 5.859 1.00 0.00 H new ATOM 1167 N PHE A 79 -2.780 13.083 5.423 1.00 0.00 N ATOM 1168 CA PHE A 79 -4.084 12.528 4.935 1.00 0.00 C ATOM 1169 C PHE A 79 -3.986 10.989 4.683 1.00 0.00 C ATOM 1170 O PHE A 79 -2.941 10.412 5.012 1.00 0.00 O ATOM 1171 CB PHE A 79 -4.431 13.271 3.636 1.00 0.00 C ATOM 1172 CG PHE A 79 -4.447 14.768 3.777 1.00 0.00 C ATOM 1173 CD1 PHE A 79 -5.421 15.396 4.522 1.00 0.00 C ATOM 1174 CD2 PHE A 79 -3.495 15.544 3.146 1.00 0.00 C ATOM 1175 CE1 PHE A 79 -5.447 16.769 4.637 1.00 0.00 C ATOM 1176 CE2 PHE A 79 -3.512 16.916 3.259 1.00 0.00 C ATOM 1177 CZ PHE A 79 -4.491 17.530 4.005 1.00 0.00 C ATOM 0 H PHE A 79 -2.397 13.780 4.785 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.862 12.672 5.685 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -3.709 12.996 2.867 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.409 12.938 3.288 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.174 14.805 5.022 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.726 15.068 2.555 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -6.218 17.247 5.223 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.758 17.509 2.763 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.509 18.606 4.094 1.00 0.00 H new ATOM 1187 N PRO A 80 -5.074 10.248 4.144 1.00 0.00 N ATOM 1188 CA PRO A 80 -4.942 8.832 3.865 1.00 0.00 C ATOM 1189 C PRO A 80 -3.647 8.484 3.135 1.00 0.00 C ATOM 1190 O PRO A 80 -3.221 9.152 2.197 1.00 0.00 O ATOM 1191 CB PRO A 80 -6.196 8.454 3.059 1.00 0.00 C ATOM 1192 CG PRO A 80 -6.898 9.705 2.783 1.00 0.00 C ATOM 1193 CD PRO A 80 -6.487 10.674 3.845 1.00 0.00 C ATOM 0 HA PRO A 80 -4.875 8.258 4.789 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -5.925 7.948 2.133 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.829 7.769 3.623 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.640 10.083 1.794 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.977 9.553 2.795 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.535 11.705 3.494 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.126 10.607 4.725 1.00 0.00 H new ATOM 1201 N ALA A 81 -3.051 7.451 3.595 1.00 0.00 N ATOM 1202 CA ALA A 81 -1.768 7.046 3.197 1.00 0.00 C ATOM 1203 C ALA A 81 -1.867 5.690 2.522 1.00 0.00 C ATOM 1204 O ALA A 81 -2.549 4.803 2.998 1.00 0.00 O ATOM 1205 CB ALA A 81 -0.909 6.991 4.441 1.00 0.00 C ATOM 0 H ALA A 81 -3.470 6.837 4.294 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.323 7.739 2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.100 6.679 4.173 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.873 7.978 4.902 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -1.335 6.277 5.146 1.00 0.00 H new ATOM 1211 N PHE A 82 -1.185 5.524 1.446 1.00 0.00 N ATOM 1212 CA PHE A 82 -1.305 4.318 0.660 1.00 0.00 C ATOM 1213 C PHE A 82 0.034 3.632 0.573 1.00 0.00 C ATOM 1214 O PHE A 82 0.989 4.226 0.102 1.00 0.00 O ATOM 1215 CB PHE A 82 -1.830 4.694 -0.732 1.00 0.00 C ATOM 1216 CG PHE A 82 -1.962 3.563 -1.697 1.00 0.00 C ATOM 1217 CD1 PHE A 82 -2.919 2.605 -1.512 1.00 0.00 C ATOM 1218 CD2 PHE A 82 -1.146 3.484 -2.811 1.00 0.00 C ATOM 1219 CE1 PHE A 82 -3.077 1.579 -2.409 1.00 0.00 C ATOM 1220 CE2 PHE A 82 -1.288 2.459 -3.711 1.00 0.00 C ATOM 1221 CZ PHE A 82 -2.258 1.502 -3.511 1.00 0.00 C ATOM 0 H PHE A 82 -0.527 6.209 1.074 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.004 3.624 1.127 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.806 5.167 -0.618 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.163 5.440 -1.163 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.561 2.656 -0.645 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.389 4.237 -2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.842 0.834 -2.250 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.641 2.402 -4.574 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.375 0.694 -4.217 1.00 0.00 H new ATOM 1231 N ALA A 83 0.126 2.408 1.047 1.00 0.00 N ATOM 1232 CA ALA A 83 1.389 1.713 1.020 1.00 0.00 C ATOM 1233 C ALA A 83 1.295 0.375 0.319 1.00 0.00 C ATOM 1234 O ALA A 83 0.485 -0.455 0.687 1.00 0.00 O ATOM 1235 CB ALA A 83 1.890 1.529 2.422 1.00 0.00 C ATOM 0 H ALA A 83 -0.649 1.882 1.450 1.00 0.00 H new ATOM 0 HA ALA A 83 2.091 2.323 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.845 1.004 2.401 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.022 2.504 2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.167 0.946 2.993 1.00 0.00 H new ATOM 1241 N ILE A 84 2.102 0.175 -0.695 1.00 0.00 N ATOM 1242 CA ILE A 84 2.141 -1.100 -1.373 1.00 0.00 C ATOM 1243 C ILE A 84 3.241 -1.949 -0.766 1.00 0.00 C ATOM 1244 O ILE A 84 4.431 -1.659 -0.933 1.00 0.00 O ATOM 1245 CB ILE A 84 2.396 -0.963 -2.894 1.00 0.00 C ATOM 1246 CG1 ILE A 84 1.391 -0.001 -3.530 1.00 0.00 C ATOM 1247 CG2 ILE A 84 2.314 -2.335 -3.566 1.00 0.00 C ATOM 1248 CD1 ILE A 84 1.669 0.290 -4.989 1.00 0.00 C ATOM 0 H ILE A 84 2.740 0.877 -1.069 1.00 0.00 H new ATOM 0 HA ILE A 84 1.164 -1.566 -1.245 1.00 0.00 H new ATOM 0 HB ILE A 84 3.396 -0.556 -3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.390 -0.421 -3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.396 0.936 -2.974 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.495 -2.228 -4.636 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.066 -2.997 -3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.323 -2.760 -3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.916 0.979 -5.372 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.657 0.740 -5.088 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.634 -0.639 -5.558 1.00 0.00 H new ATOM 1260 N GLN A 85 2.857 -2.958 -0.054 1.00 0.00 N ATOM 1261 CA GLN A 85 3.794 -3.834 0.560 1.00 0.00 C ATOM 1262 C GLN A 85 4.025 -5.034 -0.334 1.00 0.00 C ATOM 1263 O GLN A 85 3.083 -5.692 -0.749 1.00 0.00 O ATOM 1264 CB GLN A 85 3.286 -4.328 1.906 1.00 0.00 C ATOM 1265 CG GLN A 85 4.269 -5.259 2.579 1.00 0.00 C ATOM 1266 CD GLN A 85 3.716 -6.001 3.761 1.00 0.00 C ATOM 1267 OE1 GLN A 85 2.838 -5.535 4.480 1.00 0.00 O ATOM 1268 NE2 GLN A 85 4.229 -7.169 3.960 1.00 0.00 N ATOM 0 H GLN A 85 1.880 -3.197 0.117 1.00 0.00 H new ATOM 0 HA GLN A 85 4.721 -3.281 0.711 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.093 -3.474 2.556 1.00 0.00 H new ATOM 0 HB3 GLN A 85 2.336 -4.844 1.767 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.625 -5.983 1.846 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.135 -4.681 2.902 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.958 -7.519 3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.906 -7.742 4.739 1.00 0.00 H new ATOM 1277 N GLU A 86 5.252 -5.306 -0.621 1.00 0.00 N ATOM 1278 CA GLU A 86 5.613 -6.483 -1.362 1.00 0.00 C ATOM 1279 C GLU A 86 5.754 -7.601 -0.398 1.00 0.00 C ATOM 1280 O GLU A 86 6.405 -7.447 0.623 1.00 0.00 O ATOM 1281 CB GLU A 86 6.936 -6.287 -2.084 1.00 0.00 C ATOM 1282 CG GLU A 86 6.823 -6.060 -3.569 1.00 0.00 C ATOM 1283 CD GLU A 86 6.607 -7.367 -4.296 1.00 0.00 C ATOM 1284 OE1 GLU A 86 6.367 -8.402 -3.615 1.00 0.00 O ATOM 1285 OE2 GLU A 86 6.748 -7.395 -5.532 1.00 0.00 O ATOM 0 H GLU A 86 6.042 -4.721 -0.351 1.00 0.00 H new ATOM 0 HA GLU A 86 4.844 -6.692 -2.106 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.453 -5.436 -1.640 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.560 -7.164 -1.912 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.995 -5.382 -3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.729 -5.579 -3.938 1.00 0.00 H new ATOM 1292 N VAL A 87 5.171 -8.713 -0.689 1.00 0.00 N ATOM 1293 CA VAL A 87 5.308 -9.831 0.200 1.00 0.00 C ATOM 1294 C VAL A 87 6.463 -10.702 -0.283 1.00 0.00 C ATOM 1295 O VAL A 87 6.842 -11.685 0.340 1.00 0.00 O ATOM 1296 CB VAL A 87 3.976 -10.638 0.365 1.00 0.00 C ATOM 1297 CG1 VAL A 87 4.081 -11.623 1.514 1.00 0.00 C ATOM 1298 CG2 VAL A 87 2.819 -9.682 0.597 1.00 0.00 C ATOM 0 H VAL A 87 4.602 -8.879 -1.519 1.00 0.00 H new ATOM 0 HA VAL A 87 5.535 -9.461 1.200 1.00 0.00 H new ATOM 0 HB VAL A 87 3.796 -11.202 -0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.144 -12.172 1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.894 -12.323 1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.281 -11.083 2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.895 -10.249 0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.002 -9.102 1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.728 -9.008 -0.255 1.00 0.00 H new ATOM 1308 N ALA A 88 7.076 -10.289 -1.371 1.00 0.00 N ATOM 1309 CA ALA A 88 8.190 -11.039 -1.888 1.00 0.00 C ATOM 1310 C ALA A 88 9.465 -10.272 -1.665 1.00 0.00 C ATOM 1311 O ALA A 88 10.469 -10.821 -1.209 1.00 0.00 O ATOM 1312 CB ALA A 88 7.999 -11.347 -3.354 1.00 0.00 C ATOM 0 H ALA A 88 6.826 -9.455 -1.903 1.00 0.00 H new ATOM 0 HA ALA A 88 8.251 -11.988 -1.356 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.854 -11.914 -3.721 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.090 -11.934 -3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.915 -10.415 -3.914 1.00 0.00 H new ATOM 1318 N LYS A 89 9.408 -8.991 -1.957 1.00 0.00 N ATOM 1319 CA LYS A 89 10.555 -8.119 -1.831 1.00 0.00 C ATOM 1320 C LYS A 89 10.558 -7.430 -0.465 1.00 0.00 C ATOM 1321 O LYS A 89 11.533 -6.776 -0.095 1.00 0.00 O ATOM 1322 CB LYS A 89 10.506 -7.068 -2.940 1.00 0.00 C ATOM 1323 CG LYS A 89 10.438 -7.650 -4.348 1.00 0.00 C ATOM 1324 CD LYS A 89 10.325 -6.558 -5.400 1.00 0.00 C ATOM 1325 CE LYS A 89 10.153 -7.132 -6.807 1.00 0.00 C ATOM 1326 NZ LYS A 89 8.919 -7.948 -6.943 1.00 0.00 N ATOM 0 H LYS A 89 8.564 -8.524 -2.289 1.00 0.00 H new ATOM 0 HA LYS A 89 11.466 -8.711 -1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.638 -6.428 -2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.389 -6.433 -2.863 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.329 -8.249 -4.538 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.582 -8.320 -4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.477 -5.915 -5.165 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.217 -5.933 -5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.125 -6.315 -7.528 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.019 -7.746 -7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 8.722 -8.115 -7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.051 -8.860 -6.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.119 -7.442 -6.513 1.00 0.00 H new ATOM 1340 N ASN A 90 9.410 -7.539 0.240 1.00 0.00 N ATOM 1341 CA ASN A 90 9.159 -6.939 1.590 1.00 0.00 C ATOM 1342 C ASN A 90 9.393 -5.445 1.541 1.00 0.00 C ATOM 1343 O ASN A 90 9.784 -4.792 2.506 1.00 0.00 O ATOM 1344 CB ASN A 90 9.907 -7.645 2.789 1.00 0.00 C ATOM 1345 CG ASN A 90 11.407 -7.411 2.917 1.00 0.00 C ATOM 1346 OD1 ASN A 90 12.224 -8.157 2.375 1.00 0.00 O ATOM 1347 ND2 ASN A 90 11.784 -6.426 3.692 1.00 0.00 N ATOM 0 H ASN A 90 8.606 -8.057 -0.114 1.00 0.00 H new ATOM 0 HA ASN A 90 8.110 -7.124 1.820 1.00 0.00 H new ATOM 0 HB2 ASN A 90 9.436 -7.321 3.717 1.00 0.00 H new ATOM 0 HB3 ASN A 90 9.740 -8.719 2.704 1.00 0.00 H new ATOM 0 HD21 ASN A 90 12.776 -6.260 3.860 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.085 -5.824 4.128 1.00 0.00 H new ATOM 1354 N GLN A 91 9.079 -4.906 0.409 1.00 0.00 N ATOM 1355 CA GLN A 91 9.283 -3.529 0.147 1.00 0.00 C ATOM 1356 C GLN A 91 8.024 -2.813 0.359 1.00 0.00 C ATOM 1357 O GLN A 91 6.959 -3.409 0.458 1.00 0.00 O ATOM 1358 CB GLN A 91 9.744 -3.301 -1.271 1.00 0.00 C ATOM 1359 CG GLN A 91 10.597 -2.049 -1.475 1.00 0.00 C ATOM 1360 CD GLN A 91 11.843 -2.065 -0.619 1.00 0.00 C ATOM 1361 OE1 GLN A 91 12.864 -2.580 -1.023 1.00 0.00 O ATOM 1362 NE2 GLN A 91 11.789 -1.455 0.543 1.00 0.00 N ATOM 0 H GLN A 91 8.667 -5.422 -0.368 1.00 0.00 H new ATOM 0 HA GLN A 91 10.056 -3.162 0.822 1.00 0.00 H new ATOM 0 HB2 GLN A 91 10.316 -4.170 -1.596 1.00 0.00 H new ATOM 0 HB3 GLN A 91 8.868 -3.236 -1.917 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.880 -1.970 -2.525 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.005 -1.165 -1.237 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.916 -1.031 0.856 1.00 0.00 H new ATOM 0 HE22 GLN A 91 12.620 -1.405 1.132 1.00 0.00 H new ATOM 1371 N LYS A 92 8.149 -1.547 0.406 1.00 0.00 N ATOM 1372 CA LYS A 92 7.104 -0.697 0.670 1.00 0.00 C ATOM 1373 C LYS A 92 7.169 0.379 -0.350 1.00 0.00 C ATOM 1374 O LYS A 92 8.098 1.188 -0.338 1.00 0.00 O ATOM 1375 CB LYS A 92 7.218 -0.111 2.094 1.00 0.00 C ATOM 1376 CG LYS A 92 7.015 -1.114 3.254 1.00 0.00 C ATOM 1377 CD LYS A 92 8.161 -2.109 3.502 1.00 0.00 C ATOM 1378 CE LYS A 92 9.417 -1.425 3.965 1.00 0.00 C ATOM 1379 NZ LYS A 92 10.506 -2.389 4.303 1.00 0.00 N ATOM 0 H LYS A 92 9.036 -1.068 0.251 1.00 0.00 H new ATOM 0 HA LYS A 92 6.151 -1.223 0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.202 0.345 2.201 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.484 0.688 2.197 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.849 -0.548 4.171 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.105 -1.682 3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.850 -2.839 4.249 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.367 -2.660 2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.766 -0.748 3.185 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.192 -0.815 4.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.428 -1.966 4.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.470 -2.612 5.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.380 -3.262 3.752 1.00 0.00 H new ATOM 1393 N PHE A 93 6.311 0.280 -1.313 1.00 0.00 N ATOM 1394 CA PHE A 93 6.135 1.330 -2.320 1.00 0.00 C ATOM 1395 C PHE A 93 4.920 2.168 -1.918 1.00 0.00 C ATOM 1396 O PHE A 93 3.803 1.864 -2.312 1.00 0.00 O ATOM 1397 CB PHE A 93 5.956 0.703 -3.750 1.00 0.00 C ATOM 1398 CG PHE A 93 7.046 -0.283 -4.050 1.00 0.00 C ATOM 1399 CD1 PHE A 93 8.274 0.145 -4.502 1.00 0.00 C ATOM 1400 CD2 PHE A 93 6.845 -1.641 -3.842 1.00 0.00 C ATOM 1401 CE1 PHE A 93 9.285 -0.753 -4.749 1.00 0.00 C ATOM 1402 CE2 PHE A 93 7.850 -2.550 -4.089 1.00 0.00 C ATOM 1403 CZ PHE A 93 9.076 -2.104 -4.547 1.00 0.00 C ATOM 0 H PHE A 93 5.700 -0.526 -1.442 1.00 0.00 H new ATOM 0 HA PHE A 93 7.019 1.967 -2.365 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.987 0.208 -3.814 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.961 1.494 -4.500 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.445 1.199 -4.664 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.888 -1.989 -3.482 1.00 0.00 H new ATOM 0 HE1 PHE A 93 10.244 -0.402 -5.101 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.681 -3.604 -3.926 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.869 -2.810 -4.746 1.00 0.00 H new ATOM 1413 N PRO A 94 5.086 3.166 -1.021 1.00 0.00 N ATOM 1414 CA PRO A 94 3.994 3.943 -0.551 1.00 0.00 C ATOM 1415 C PRO A 94 3.873 5.322 -1.250 1.00 0.00 C ATOM 1416 O PRO A 94 4.862 5.927 -1.716 1.00 0.00 O ATOM 1417 CB PRO A 94 4.318 4.000 0.950 1.00 0.00 C ATOM 1418 CG PRO A 94 5.818 4.133 0.992 1.00 0.00 C ATOM 1419 CD PRO A 94 6.329 3.602 -0.348 1.00 0.00 C ATOM 0 HA PRO A 94 3.009 3.529 -0.764 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.828 4.846 1.433 1.00 0.00 H new ATOM 0 HB3 PRO A 94 3.982 3.100 1.466 1.00 0.00 H new ATOM 0 HG2 PRO A 94 6.113 5.172 1.137 1.00 0.00 H new ATOM 0 HG3 PRO A 94 6.237 3.564 1.822 1.00 0.00 H new ATOM 0 HD2 PRO A 94 6.849 4.373 -0.917 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.029 2.777 -0.216 1.00 0.00 H new ATOM 1427 N PHE A 95 2.655 5.768 -1.345 1.00 0.00 N ATOM 1428 CA PHE A 95 2.271 6.970 -2.053 1.00 0.00 C ATOM 1429 C PHE A 95 2.455 8.182 -1.149 1.00 0.00 C ATOM 1430 O PHE A 95 2.659 8.034 0.062 1.00 0.00 O ATOM 1431 CB PHE A 95 0.797 6.801 -2.499 1.00 0.00 C ATOM 1432 CG PHE A 95 0.188 7.913 -3.321 1.00 0.00 C ATOM 1433 CD1 PHE A 95 0.540 8.092 -4.646 1.00 0.00 C ATOM 1434 CD2 PHE A 95 -0.746 8.768 -2.762 1.00 0.00 C ATOM 1435 CE1 PHE A 95 -0.025 9.102 -5.396 1.00 0.00 C ATOM 1436 CE2 PHE A 95 -1.315 9.778 -3.505 1.00 0.00 C ATOM 1437 CZ PHE A 95 -0.953 9.945 -4.822 1.00 0.00 C ATOM 0 H PHE A 95 1.863 5.289 -0.916 1.00 0.00 H new ATOM 0 HA PHE A 95 2.896 7.129 -2.932 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.723 5.878 -3.074 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.187 6.670 -1.605 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.266 7.433 -5.099 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.033 8.641 -1.728 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.259 9.232 -6.430 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.043 10.437 -3.056 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.396 10.737 -5.407 1.00 0.00 H new ATOM 1447 N ASP A 96 2.376 9.361 -1.733 1.00 0.00 N ATOM 1448 CA ASP A 96 2.552 10.598 -1.008 1.00 0.00 C ATOM 1449 C ASP A 96 1.376 10.809 -0.119 1.00 0.00 C ATOM 1450 O ASP A 96 0.245 10.558 -0.501 1.00 0.00 O ATOM 1451 CB ASP A 96 2.689 11.780 -1.945 1.00 0.00 C ATOM 1452 CG ASP A 96 3.900 11.697 -2.840 1.00 0.00 C ATOM 1453 OD1 ASP A 96 5.009 12.055 -2.395 1.00 0.00 O ATOM 1454 OD2 ASP A 96 3.768 11.283 -3.994 1.00 0.00 O ATOM 0 H ASP A 96 2.187 9.486 -2.728 1.00 0.00 H new ATOM 0 HA ASP A 96 3.469 10.525 -0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.794 11.850 -2.563 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.743 12.696 -1.357 1.00 0.00 H new ATOM 1459 N GLN A 97 1.631 11.336 1.013 1.00 0.00 N ATOM 1460 CA GLN A 97 0.643 11.434 2.055 1.00 0.00 C ATOM 1461 C GLN A 97 -0.229 12.691 1.873 1.00 0.00 C ATOM 1462 O GLN A 97 -1.102 12.970 2.689 1.00 0.00 O ATOM 1463 CB GLN A 97 1.381 11.473 3.395 1.00 0.00 C ATOM 1464 CG GLN A 97 2.487 10.416 3.513 1.00 0.00 C ATOM 1465 CD GLN A 97 3.342 10.611 4.739 1.00 0.00 C ATOM 1466 OE1 GLN A 97 4.306 11.364 4.705 1.00 0.00 O ATOM 1467 NE2 GLN A 97 3.102 9.848 5.773 1.00 0.00 N ATOM 0 H GLN A 97 2.541 11.723 1.264 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.027 10.575 2.018 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.818 12.462 3.532 1.00 0.00 H new ATOM 0 HB3 GLN A 97 0.662 11.328 4.201 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.036 9.424 3.542 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.117 10.453 2.624 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.291 9.230 5.773 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.726 9.871 6.579 1.00 0.00 H new ATOM 1476 N GLU A 98 0.013 13.446 0.796 1.00 0.00 N ATOM 1477 CA GLU A 98 -0.740 14.686 0.556 1.00 0.00 C ATOM 1478 C GLU A 98 -0.846 15.035 -0.921 1.00 0.00 C ATOM 1479 O GLU A 98 -1.137 16.176 -1.285 1.00 0.00 O ATOM 1480 CB GLU A 98 -0.138 15.854 1.342 1.00 0.00 C ATOM 1481 CG GLU A 98 1.362 16.000 1.209 1.00 0.00 C ATOM 1482 CD GLU A 98 1.879 17.223 1.904 1.00 0.00 C ATOM 1483 OE1 GLU A 98 1.812 17.307 3.137 1.00 0.00 O ATOM 1484 OE2 GLU A 98 2.387 18.130 1.228 1.00 0.00 O ATOM 0 H GLU A 98 0.712 13.227 0.086 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.754 14.505 0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.610 16.779 1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.385 15.730 2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.849 15.117 1.623 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.628 16.045 0.153 1.00 0.00 H new ATOM 1491 N LYS A 99 -0.686 14.042 -1.763 1.00 0.00 N ATOM 1492 CA LYS A 99 -0.722 14.234 -3.203 1.00 0.00 C ATOM 1493 C LYS A 99 -2.162 14.049 -3.692 1.00 0.00 C ATOM 1494 O LYS A 99 -2.485 14.276 -4.879 1.00 0.00 O ATOM 1495 CB LYS A 99 0.192 13.189 -3.817 1.00 0.00 C ATOM 1496 CG LYS A 99 0.475 13.315 -5.296 1.00 0.00 C ATOM 1497 CD LYS A 99 1.377 14.505 -5.617 1.00 0.00 C ATOM 1498 CE LYS A 99 2.815 14.261 -5.150 1.00 0.00 C ATOM 1499 NZ LYS A 99 3.674 15.443 -5.346 1.00 0.00 N ATOM 0 H LYS A 99 -0.527 13.077 -1.475 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.390 15.233 -3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.143 13.216 -3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.246 12.207 -3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.946 12.399 -5.652 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.466 13.420 -5.836 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.369 14.690 -6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.984 15.401 -5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.811 13.988 -4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.234 13.416 -5.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.637 15.231 -5.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.701 15.689 -6.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.291 16.244 -4.805 1.00 0.00 H new ATOM 1513 N GLU A 100 -3.003 13.699 -2.729 1.00 0.00 N ATOM 1514 CA GLU A 100 -4.391 13.384 -2.873 1.00 0.00 C ATOM 1515 C GLU A 100 -4.623 12.055 -3.589 1.00 0.00 C ATOM 1516 O GLU A 100 -4.034 11.751 -4.637 1.00 0.00 O ATOM 1517 CB GLU A 100 -5.188 14.537 -3.457 1.00 0.00 C ATOM 1518 CG GLU A 100 -6.680 14.355 -3.363 1.00 0.00 C ATOM 1519 CD GLU A 100 -7.151 14.108 -1.945 1.00 0.00 C ATOM 1520 OE1 GLU A 100 -7.166 12.941 -1.499 1.00 0.00 O ATOM 1521 OE2 GLU A 100 -7.501 15.087 -1.231 1.00 0.00 O ATOM 0 H GLU A 100 -2.695 13.627 -1.759 1.00 0.00 H new ATOM 0 HA GLU A 100 -4.783 13.238 -1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -4.910 15.456 -2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -4.912 14.663 -4.504 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.176 15.242 -3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.980 13.517 -3.992 1.00 0.00 H new ATOM 1528 N ILE A 101 -5.486 11.281 -3.009 1.00 0.00 N ATOM 1529 CA ILE A 101 -5.788 9.971 -3.473 1.00 0.00 C ATOM 1530 C ILE A 101 -6.948 10.048 -4.440 1.00 0.00 C ATOM 1531 O ILE A 101 -8.132 10.173 -4.052 1.00 0.00 O ATOM 1532 CB ILE A 101 -6.099 8.953 -2.311 1.00 0.00 C ATOM 1533 CG1 ILE A 101 -4.862 8.673 -1.413 1.00 0.00 C ATOM 1534 CG2 ILE A 101 -6.640 7.640 -2.859 1.00 0.00 C ATOM 1535 CD1 ILE A 101 -4.404 9.826 -0.543 1.00 0.00 C ATOM 0 H ILE A 101 -6.011 11.554 -2.178 1.00 0.00 H new ATOM 0 HA ILE A 101 -4.900 9.586 -3.974 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.860 9.426 -1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -5.089 7.824 -0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.032 8.374 -2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.845 6.958 -2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.561 7.828 -3.412 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.902 7.192 -3.525 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.536 9.519 0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.136 10.674 -1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.210 10.116 0.131 1.00 0.00 H new ATOM 1547 N THR A 102 -6.613 10.056 -5.680 1.00 0.00 N ATOM 1548 CA THR A 102 -7.574 10.094 -6.718 1.00 0.00 C ATOM 1549 C THR A 102 -7.563 8.753 -7.420 1.00 0.00 C ATOM 1550 O THR A 102 -6.964 7.793 -6.919 1.00 0.00 O ATOM 1551 CB THR A 102 -7.242 11.221 -7.711 1.00 0.00 C ATOM 1552 OG1 THR A 102 -5.943 11.036 -8.235 1.00 0.00 O ATOM 1553 CG2 THR A 102 -7.343 12.580 -7.054 1.00 0.00 C ATOM 0 H THR A 102 -5.647 10.036 -6.006 1.00 0.00 H new ATOM 0 HA THR A 102 -8.564 10.292 -6.306 1.00 0.00 H new ATOM 0 HB THR A 102 -7.970 11.181 -8.521 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.942 11.252 -9.191 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.102 13.355 -7.782 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.357 12.731 -6.685 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.642 12.634 -6.221 1.00 0.00 H new ATOM 1561 N PHE A 103 -8.168 8.678 -8.571 1.00 0.00 N ATOM 1562 CA PHE A 103 -8.220 7.446 -9.305 1.00 0.00 C ATOM 1563 C PHE A 103 -6.948 7.386 -10.068 1.00 0.00 C ATOM 1564 O PHE A 103 -6.146 6.486 -9.923 1.00 0.00 O ATOM 1565 CB PHE A 103 -9.427 7.489 -10.254 1.00 0.00 C ATOM 1566 CG PHE A 103 -9.612 6.315 -11.198 1.00 0.00 C ATOM 1567 CD1 PHE A 103 -8.833 6.214 -12.352 1.00 0.00 C ATOM 1568 CD2 PHE A 103 -10.607 5.359 -10.991 1.00 0.00 C ATOM 1569 CE1 PHE A 103 -9.023 5.197 -13.250 1.00 0.00 C ATOM 1570 CE2 PHE A 103 -10.795 4.361 -11.911 1.00 0.00 C ATOM 1571 CZ PHE A 103 -10.008 4.275 -13.034 1.00 0.00 C ATOM 0 H PHE A 103 -8.636 9.463 -9.024 1.00 0.00 H new ATOM 0 HA PHE A 103 -8.331 6.572 -8.664 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -10.329 7.581 -9.649 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -9.352 8.396 -10.854 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.066 6.951 -12.540 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -11.227 5.405 -10.108 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.396 5.124 -14.126 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -11.574 3.630 -11.751 1.00 0.00 H new ATOM 0 HZ PHE A 103 -10.168 3.479 -13.746 1.00 0.00 H new ATOM 1581 N GLU A 104 -6.753 8.418 -10.802 1.00 0.00 N ATOM 1582 CA GLU A 104 -5.659 8.612 -11.632 1.00 0.00 C ATOM 1583 C GLU A 104 -4.324 8.585 -10.902 1.00 0.00 C ATOM 1584 O GLU A 104 -3.395 7.959 -11.381 1.00 0.00 O ATOM 1585 CB GLU A 104 -5.883 9.910 -12.260 1.00 0.00 C ATOM 1586 CG GLU A 104 -6.906 9.880 -13.376 1.00 0.00 C ATOM 1587 CD GLU A 104 -6.456 9.010 -14.513 1.00 0.00 C ATOM 1588 OE1 GLU A 104 -5.531 9.415 -15.236 1.00 0.00 O ATOM 1589 OE2 GLU A 104 -6.992 7.904 -14.696 1.00 0.00 O ATOM 0 H GLU A 104 -7.411 9.197 -10.829 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.587 7.798 -12.353 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.209 10.620 -11.500 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.937 10.280 -12.656 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.857 9.512 -12.990 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.080 10.893 -13.739 1.00 0.00 H new ATOM 1596 N ALA A 105 -4.241 9.243 -9.752 1.00 0.00 N ATOM 1597 CA ALA A 105 -2.992 9.314 -8.989 1.00 0.00 C ATOM 1598 C ALA A 105 -2.544 7.937 -8.534 1.00 0.00 C ATOM 1599 O ALA A 105 -1.411 7.533 -8.764 1.00 0.00 O ATOM 1600 CB ALA A 105 -3.144 10.240 -7.786 1.00 0.00 C ATOM 0 H ALA A 105 -5.023 9.737 -9.323 1.00 0.00 H new ATOM 0 HA ALA A 105 -2.227 9.720 -9.650 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -2.205 10.277 -7.234 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.404 11.242 -8.128 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -3.933 9.864 -7.134 1.00 0.00 H new ATOM 1606 N ILE A 106 -3.455 7.207 -7.934 1.00 0.00 N ATOM 1607 CA ILE A 106 -3.144 5.896 -7.396 1.00 0.00 C ATOM 1608 C ILE A 106 -2.947 4.903 -8.505 1.00 0.00 C ATOM 1609 O ILE A 106 -2.037 4.084 -8.448 1.00 0.00 O ATOM 1610 CB ILE A 106 -4.241 5.406 -6.440 1.00 0.00 C ATOM 1611 CG1 ILE A 106 -4.427 6.392 -5.307 1.00 0.00 C ATOM 1612 CG2 ILE A 106 -3.945 4.013 -5.891 1.00 0.00 C ATOM 1613 CD1 ILE A 106 -3.164 6.706 -4.544 1.00 0.00 C ATOM 0 H ILE A 106 -4.424 7.498 -7.804 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.217 5.985 -6.830 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.166 5.338 -7.012 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.834 7.319 -5.711 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -5.168 5.995 -4.613 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.748 3.708 -5.220 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.873 3.304 -6.716 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.002 4.030 -5.344 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.386 7.420 -3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.766 5.790 -4.107 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.426 7.135 -5.222 1.00 0.00 H new ATOM 1625 N LYS A 107 -3.787 5.000 -9.518 1.00 0.00 N ATOM 1626 CA LYS A 107 -3.699 4.143 -10.693 1.00 0.00 C ATOM 1627 C LYS A 107 -2.343 4.303 -11.310 1.00 0.00 C ATOM 1628 O LYS A 107 -1.682 3.334 -11.600 1.00 0.00 O ATOM 1629 CB LYS A 107 -4.719 4.567 -11.735 1.00 0.00 C ATOM 1630 CG LYS A 107 -4.798 3.659 -12.958 1.00 0.00 C ATOM 1631 CD LYS A 107 -5.473 4.357 -14.131 1.00 0.00 C ATOM 1632 CE LYS A 107 -4.608 5.504 -14.666 1.00 0.00 C ATOM 1633 NZ LYS A 107 -5.226 6.196 -15.808 1.00 0.00 N ATOM 0 H LYS A 107 -4.551 5.675 -9.553 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.882 3.114 -10.385 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -5.702 4.607 -11.266 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -4.482 5.578 -12.065 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -3.794 3.349 -13.247 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -5.351 2.754 -12.705 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -5.660 3.637 -14.928 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -6.442 4.745 -13.818 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.428 6.222 -13.866 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.637 5.111 -14.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.525 6.819 -16.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -5.559 5.495 -16.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -6.031 6.764 -15.475 1.00 0.00 H new ATOM 1647 N ALA A 108 -1.947 5.546 -11.497 1.00 0.00 N ATOM 1648 CA ALA A 108 -0.647 5.853 -12.105 1.00 0.00 C ATOM 1649 C ALA A 108 0.492 5.303 -11.259 1.00 0.00 C ATOM 1650 O ALA A 108 1.442 4.737 -11.778 1.00 0.00 O ATOM 1651 CB ALA A 108 -0.480 7.345 -12.298 1.00 0.00 C ATOM 0 H ALA A 108 -2.498 6.365 -11.241 1.00 0.00 H new ATOM 0 HA ALA A 108 -0.616 5.372 -13.082 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.491 7.547 -12.750 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -1.269 7.718 -12.951 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -0.542 7.846 -11.332 1.00 0.00 H new ATOM 1657 N PHE A 109 0.360 5.475 -9.969 1.00 0.00 N ATOM 1658 CA PHE A 109 1.318 5.010 -8.992 1.00 0.00 C ATOM 1659 C PHE A 109 1.457 3.479 -9.034 1.00 0.00 C ATOM 1660 O PHE A 109 2.506 2.964 -9.346 1.00 0.00 O ATOM 1661 CB PHE A 109 0.892 5.483 -7.591 1.00 0.00 C ATOM 1662 CG PHE A 109 1.888 5.202 -6.511 1.00 0.00 C ATOM 1663 CD1 PHE A 109 2.929 6.079 -6.283 1.00 0.00 C ATOM 1664 CD2 PHE A 109 1.787 4.070 -5.725 1.00 0.00 C ATOM 1665 CE1 PHE A 109 3.853 5.835 -5.296 1.00 0.00 C ATOM 1666 CE2 PHE A 109 2.709 3.819 -4.736 1.00 0.00 C ATOM 1667 CZ PHE A 109 3.744 4.703 -4.523 1.00 0.00 C ATOM 0 H PHE A 109 -0.439 5.956 -9.555 1.00 0.00 H new ATOM 0 HA PHE A 109 2.295 5.431 -9.230 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.705 6.556 -7.625 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -0.052 5.003 -7.331 1.00 0.00 H new ATOM 0 HD1 PHE A 109 3.018 6.969 -6.888 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.976 3.376 -5.889 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.662 6.530 -5.128 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.622 2.931 -4.128 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.470 4.507 -3.748 1.00 0.00 H new ATOM 1677 N VAL A 110 0.379 2.758 -8.781 1.00 0.00 N ATOM 1678 CA VAL A 110 0.434 1.287 -8.754 1.00 0.00 C ATOM 1679 C VAL A 110 0.905 0.742 -10.111 1.00 0.00 C ATOM 1680 O VAL A 110 1.566 -0.293 -10.182 1.00 0.00 O ATOM 1681 CB VAL A 110 -0.932 0.661 -8.399 1.00 0.00 C ATOM 1682 CG1 VAL A 110 -1.397 1.054 -7.019 1.00 0.00 C ATOM 1683 CG2 VAL A 110 -1.926 1.063 -9.403 1.00 0.00 C ATOM 0 H VAL A 110 -0.542 3.152 -8.591 1.00 0.00 H new ATOM 0 HA VAL A 110 1.146 1.010 -7.977 1.00 0.00 H new ATOM 0 HB VAL A 110 -0.816 -0.423 -8.401 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.362 0.590 -6.814 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.669 0.719 -6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.497 2.138 -6.964 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.892 0.623 -9.155 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -2.014 2.149 -9.413 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -1.610 0.716 -10.387 1.00 0.00 H new ATOM 1693 N ASP A 111 0.572 1.484 -11.161 1.00 0.00 N ATOM 1694 CA ASP A 111 0.948 1.189 -12.533 1.00 0.00 C ATOM 1695 C ASP A 111 2.420 1.270 -12.656 1.00 0.00 C ATOM 1696 O ASP A 111 3.074 0.330 -13.075 1.00 0.00 O ATOM 1697 CB ASP A 111 0.369 2.251 -13.433 1.00 0.00 C ATOM 1698 CG ASP A 111 0.556 1.993 -14.896 1.00 0.00 C ATOM 1699 OD1 ASP A 111 -0.232 1.233 -15.476 1.00 0.00 O ATOM 1700 OD2 ASP A 111 1.465 2.589 -15.504 1.00 0.00 O ATOM 0 H ASP A 111 0.015 2.334 -11.075 1.00 0.00 H new ATOM 0 HA ASP A 111 0.585 0.198 -12.805 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -0.697 2.343 -13.226 1.00 0.00 H new ATOM 0 HB3 ASP A 111 0.826 3.209 -13.184 1.00 0.00 H new ATOM 1705 N ASP A 112 2.945 2.393 -12.227 1.00 0.00 N ATOM 1706 CA ASP A 112 4.358 2.659 -12.330 1.00 0.00 C ATOM 1707 C ASP A 112 5.150 1.749 -11.410 1.00 0.00 C ATOM 1708 O ASP A 112 6.282 1.405 -11.684 1.00 0.00 O ATOM 1709 CB ASP A 112 4.715 4.196 -12.253 1.00 0.00 C ATOM 1710 CG ASP A 112 5.054 4.853 -10.976 1.00 0.00 C ATOM 1711 OD1 ASP A 112 4.161 5.354 -10.272 1.00 0.00 O ATOM 1712 OD2 ASP A 112 6.258 5.032 -10.735 1.00 0.00 O ATOM 0 H ASP A 112 2.406 3.145 -11.798 1.00 0.00 H new ATOM 0 HA ASP A 112 4.680 2.397 -13.338 1.00 0.00 H new ATOM 0 HB2 ASP A 112 5.558 4.358 -12.924 1.00 0.00 H new ATOM 0 HB3 ASP A 112 3.867 4.738 -12.671 1.00 0.00 H new ATOM 1717 N PHE A 113 4.511 1.286 -10.367 1.00 0.00 N ATOM 1718 CA PHE A 113 5.082 0.286 -9.474 1.00 0.00 C ATOM 1719 C PHE A 113 5.196 -1.048 -10.168 1.00 0.00 C ATOM 1720 O PHE A 113 6.290 -1.583 -10.333 1.00 0.00 O ATOM 1721 CB PHE A 113 4.230 0.167 -8.189 1.00 0.00 C ATOM 1722 CG PHE A 113 4.182 -1.195 -7.569 1.00 0.00 C ATOM 1723 CD1 PHE A 113 5.295 -1.760 -6.987 1.00 0.00 C ATOM 1724 CD2 PHE A 113 3.014 -1.932 -7.632 1.00 0.00 C ATOM 1725 CE1 PHE A 113 5.242 -3.035 -6.492 1.00 0.00 C ATOM 1726 CE2 PHE A 113 2.958 -3.193 -7.129 1.00 0.00 C ATOM 1727 CZ PHE A 113 4.068 -3.748 -6.565 1.00 0.00 C ATOM 0 H PHE A 113 3.573 1.588 -10.103 1.00 0.00 H new ATOM 0 HA PHE A 113 6.086 0.605 -9.194 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.618 0.869 -7.451 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.211 0.478 -8.420 1.00 0.00 H new ATOM 0 HD1 PHE A 113 6.213 -1.195 -6.921 1.00 0.00 H new ATOM 0 HD2 PHE A 113 2.135 -1.500 -8.087 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.119 -3.480 -6.046 1.00 0.00 H new ATOM 0 HE2 PHE A 113 2.036 -3.754 -7.176 1.00 0.00 H new ATOM 0 HZ PHE A 113 4.025 -4.754 -6.173 1.00 0.00 H new ATOM 1737 N VAL A 114 4.069 -1.576 -10.557 1.00 0.00 N ATOM 1738 CA VAL A 114 4.000 -2.879 -11.186 1.00 0.00 C ATOM 1739 C VAL A 114 4.766 -2.897 -12.526 1.00 0.00 C ATOM 1740 O VAL A 114 5.280 -3.938 -12.940 1.00 0.00 O ATOM 1741 CB VAL A 114 2.528 -3.379 -11.323 1.00 0.00 C ATOM 1742 CG1 VAL A 114 1.730 -2.593 -12.345 1.00 0.00 C ATOM 1743 CG2 VAL A 114 2.456 -4.878 -11.560 1.00 0.00 C ATOM 0 H VAL A 114 3.164 -1.118 -10.449 1.00 0.00 H new ATOM 0 HA VAL A 114 4.501 -3.592 -10.531 1.00 0.00 H new ATOM 0 HB VAL A 114 2.050 -3.188 -10.362 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.715 -2.987 -12.395 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.698 -1.543 -12.052 1.00 0.00 H new ATOM 0 HG13 VAL A 114 2.203 -2.683 -13.323 1.00 0.00 H new ATOM 0 HG21 VAL A 114 1.413 -5.183 -11.649 1.00 0.00 H new ATOM 0 HG22 VAL A 114 2.987 -5.127 -12.479 1.00 0.00 H new ATOM 0 HG23 VAL A 114 2.916 -5.401 -10.722 1.00 0.00 H new ATOM 1753 N ALA A 115 4.899 -1.727 -13.152 1.00 0.00 N ATOM 1754 CA ALA A 115 5.690 -1.603 -14.367 1.00 0.00 C ATOM 1755 C ALA A 115 7.171 -1.750 -14.040 1.00 0.00 C ATOM 1756 O ALA A 115 7.953 -2.220 -14.850 1.00 0.00 O ATOM 1757 CB ALA A 115 5.430 -0.279 -15.058 1.00 0.00 C ATOM 0 H ALA A 115 4.469 -0.858 -12.836 1.00 0.00 H new ATOM 0 HA ALA A 115 5.394 -2.399 -15.050 1.00 0.00 H new ATOM 0 HB1 ALA A 115 6.035 -0.216 -15.962 1.00 0.00 H new ATOM 0 HB2 ALA A 115 4.375 -0.207 -15.322 1.00 0.00 H new ATOM 0 HB3 ALA A 115 5.693 0.539 -14.387 1.00 0.00 H new ATOM 1763 N GLY A 116 7.544 -1.336 -12.844 1.00 0.00 N ATOM 1764 CA GLY A 116 8.907 -1.498 -12.404 1.00 0.00 C ATOM 1765 C GLY A 116 9.572 -0.209 -12.114 1.00 0.00 C ATOM 1766 O GLY A 116 10.760 -0.177 -11.791 1.00 0.00 O ATOM 0 H GLY A 116 6.924 -0.889 -12.168 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.924 -2.120 -11.509 1.00 0.00 H new ATOM 0 HA3 GLY A 116 9.471 -2.028 -13.171 1.00 0.00 H new ATOM 1770 N LYS A 117 8.828 0.848 -12.151 1.00 0.00 N ATOM 1771 CA LYS A 117 9.411 2.109 -12.052 1.00 0.00 C ATOM 1772 C LYS A 117 9.520 2.557 -10.622 1.00 0.00 C ATOM 1773 O LYS A 117 10.511 3.195 -10.251 1.00 0.00 O ATOM 1774 CB LYS A 117 8.666 3.124 -12.870 1.00 0.00 C ATOM 1775 CG LYS A 117 9.567 4.246 -13.272 1.00 0.00 C ATOM 1776 CD LYS A 117 8.829 5.439 -13.872 1.00 0.00 C ATOM 1777 CE LYS A 117 8.042 6.198 -12.808 1.00 0.00 C ATOM 1778 NZ LYS A 117 7.290 7.347 -13.353 1.00 0.00 N ATOM 0 H LYS A 117 7.813 0.844 -12.250 1.00 0.00 H new ATOM 0 HA LYS A 117 10.421 2.027 -12.455 1.00 0.00 H new ATOM 0 HB2 LYS A 117 8.252 2.648 -13.759 1.00 0.00 H new ATOM 0 HB3 LYS A 117 7.826 3.514 -12.296 1.00 0.00 H new ATOM 0 HG2 LYS A 117 10.130 4.579 -12.400 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.292 3.876 -13.997 1.00 0.00 H new ATOM 0 HD2 LYS A 117 9.545 6.111 -14.346 1.00 0.00 H new ATOM 0 HD3 LYS A 117 8.150 5.094 -14.652 1.00 0.00 H new ATOM 0 HE2 LYS A 117 7.346 5.514 -12.322 1.00 0.00 H new ATOM 0 HE3 LYS A 117 8.729 6.553 -12.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.776 7.822 -12.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 7.952 8.018 -13.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 6.612 7.011 -14.066 1.00 0.00 H new ATOM 1792 N ILE A 118 8.533 2.239 -9.803 1.00 0.00 N ATOM 1793 CA ILE A 118 8.613 2.670 -8.436 1.00 0.00 C ATOM 1794 C ILE A 118 9.621 1.844 -7.701 1.00 0.00 C ATOM 1795 O ILE A 118 9.685 0.624 -7.846 1.00 0.00 O ATOM 1796 CB ILE A 118 7.272 2.644 -7.687 1.00 0.00 C ATOM 1797 CG1 ILE A 118 6.214 3.225 -8.546 1.00 0.00 C ATOM 1798 CG2 ILE A 118 7.352 3.464 -6.432 1.00 0.00 C ATOM 1799 CD1 ILE A 118 4.935 3.564 -7.867 1.00 0.00 C ATOM 0 H ILE A 118 7.701 1.705 -10.055 1.00 0.00 H new ATOM 0 HA ILE A 118 8.920 3.715 -8.468 1.00 0.00 H new ATOM 0 HB ILE A 118 7.042 1.608 -7.436 1.00 0.00 H new ATOM 0 HG12 ILE A 118 6.607 4.130 -9.010 1.00 0.00 H new ATOM 0 HG13 ILE A 118 6.000 2.521 -9.350 1.00 0.00 H new ATOM 0 HG21 ILE A 118 6.393 3.433 -5.916 1.00 0.00 H new ATOM 0 HG22 ILE A 118 8.127 3.059 -5.782 1.00 0.00 H new ATOM 0 HG23 ILE A 118 7.594 4.496 -6.686 1.00 0.00 H new ATOM 0 HD11 ILE A 118 4.237 3.981 -8.593 1.00 0.00 H new ATOM 0 HD12 ILE A 118 4.506 2.663 -7.428 1.00 0.00 H new ATOM 0 HD13 ILE A 118 5.123 4.297 -7.082 1.00 0.00 H new ATOM 1811 N GLU A 119 10.398 2.516 -6.960 1.00 0.00 N ATOM 1812 CA GLU A 119 11.445 1.960 -6.186 1.00 0.00 C ATOM 1813 C GLU A 119 11.242 2.467 -4.767 1.00 0.00 C ATOM 1814 O GLU A 119 10.385 3.361 -4.576 1.00 0.00 O ATOM 1815 CB GLU A 119 12.788 2.410 -6.782 1.00 0.00 C ATOM 1816 CG GLU A 119 12.977 3.919 -6.858 1.00 0.00 C ATOM 1817 CD GLU A 119 14.298 4.293 -7.469 1.00 0.00 C ATOM 1818 OE1 GLU A 119 14.442 4.183 -8.709 1.00 0.00 O ATOM 1819 OE2 GLU A 119 15.218 4.710 -6.732 1.00 0.00 O ATOM 0 H GLU A 119 10.325 3.529 -6.865 1.00 0.00 H new ATOM 0 HA GLU A 119 11.444 0.870 -6.185 1.00 0.00 H new ATOM 0 HB2 GLU A 119 13.595 1.986 -6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.882 1.995 -7.785 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.170 4.356 -7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 119 12.908 4.343 -5.856 1.00 0.00 H new