USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 603 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 GLN : amide:sc= -0.484 X(o=-0.48,f=0) USER MOD Single : A 16 MET CE :methyl 162:sc= -0.113 (180deg=-0.408) USER MOD Single : A 18 SER OG : rot 18:sc= 0.692 USER MOD Single : A 25 HIS : no HD1:sc= -0.0471 X(o=-0.047,f=0) USER MOD Single : A 28 HIS :FLIP no HE2:sc= -2.32 F(o=-4.3,f=-2.3) USER MOD Single : A 37 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0195) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 158:sc= -0.466 (180deg=-1.95) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0659 X(o=-0.066,f=-0.21) USER MOD Single : A 62 CYS SG : rot 180:sc= -0.3 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc=-0.00777 K(o=-0.0078,f=-1.1) USER MOD Single : A 78 HIS : no HE2:sc= -3.27 X(o=-3.3,f=-3.7!) USER MOD Single : A 81 ASN : amide:sc= -1.35! C(o=-1.4!,f=-2.3!) USER MOD Single : A 86 TYR OH : rot -95:sc= 0.00109 USER MOD ----------------------------------------------------------------- ATOM 125 N GLY A 11 -15.429 -7.037 5.080 1.00 0.00 N ATOM 126 CA GLY A 11 -15.358 -8.393 4.566 1.00 0.00 C ATOM 127 C GLY A 11 -14.822 -9.374 5.591 1.00 0.00 C ATOM 128 O GLY A 11 -14.713 -9.048 6.772 1.00 0.00 O ATOM 0 HA2 GLY A 11 -16.351 -8.710 4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.720 -8.411 3.682 1.00 0.00 H new ATOM 132 N GLU A 12 -14.489 -10.578 5.137 1.00 0.00 N ATOM 133 CA GLU A 12 -13.964 -11.609 6.024 1.00 0.00 C ATOM 134 C GLU A 12 -12.452 -11.742 5.870 1.00 0.00 C ATOM 135 O GLU A 12 -11.888 -11.384 4.835 1.00 0.00 O ATOM 136 CB GLU A 12 -14.637 -12.953 5.734 1.00 0.00 C ATOM 137 CG GLU A 12 -15.917 -13.175 6.522 1.00 0.00 C ATOM 138 CD GLU A 12 -15.659 -13.707 7.918 1.00 0.00 C ATOM 139 OE1 GLU A 12 -15.301 -12.901 8.802 1.00 0.00 O ATOM 140 OE2 GLU A 12 -15.813 -14.928 8.126 1.00 0.00 O ATOM 0 H GLU A 12 -14.573 -10.863 4.161 1.00 0.00 H new ATOM 0 HA GLU A 12 -14.182 -11.314 7.050 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.860 -13.016 4.669 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.937 -13.757 5.961 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.464 -12.235 6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.554 -13.876 5.982 1.00 0.00 H new ATOM 147 N LEU A 13 -11.801 -12.257 6.907 1.00 0.00 N ATOM 148 CA LEU A 13 -10.353 -12.437 6.888 1.00 0.00 C ATOM 149 C LEU A 13 -9.935 -13.371 5.757 1.00 0.00 C ATOM 150 O LEU A 13 -9.151 -12.994 4.887 1.00 0.00 O ATOM 151 CB LEU A 13 -9.871 -12.994 8.229 1.00 0.00 C ATOM 152 CG LEU A 13 -9.577 -11.961 9.318 1.00 0.00 C ATOM 153 CD1 LEU A 13 -8.416 -11.069 8.907 1.00 0.00 C ATOM 154 CD2 LEU A 13 -10.815 -11.127 9.610 1.00 0.00 C ATOM 0 H LEU A 13 -12.252 -12.557 7.771 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.893 -11.463 6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.626 -13.684 8.605 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.966 -13.576 8.054 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.297 -12.491 10.229 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.221 -10.340 9.694 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.527 -11.679 8.749 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.667 -10.547 7.983 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.587 -10.397 10.387 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.125 -10.607 8.704 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -11.621 -11.778 9.949 1.00 0.00 H new ATOM 166 N GLU A 14 -10.465 -14.590 5.776 1.00 0.00 N ATOM 167 CA GLU A 14 -10.147 -15.577 4.750 1.00 0.00 C ATOM 168 C GLU A 14 -10.397 -15.011 3.355 1.00 0.00 C ATOM 169 O GLU A 14 -9.644 -15.285 2.421 1.00 0.00 O ATOM 170 CB GLU A 14 -10.979 -16.844 4.955 1.00 0.00 C ATOM 171 CG GLU A 14 -10.727 -17.529 6.288 1.00 0.00 C ATOM 172 CD GLU A 14 -11.840 -18.485 6.673 1.00 0.00 C ATOM 173 OE1 GLU A 14 -12.993 -18.027 6.814 1.00 0.00 O ATOM 174 OE2 GLU A 14 -11.557 -19.691 6.832 1.00 0.00 O ATOM 0 H GLU A 14 -11.116 -14.918 6.490 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.090 -15.827 4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.036 -16.590 4.881 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.762 -17.545 4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.785 -18.075 6.239 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.617 -16.773 7.066 1.00 0.00 H new ATOM 181 N GLN A 15 -11.459 -14.223 3.224 1.00 0.00 N ATOM 182 CA GLN A 15 -11.808 -13.620 1.943 1.00 0.00 C ATOM 183 C GLN A 15 -10.652 -12.787 1.400 1.00 0.00 C ATOM 184 O GLN A 15 -10.362 -12.815 0.204 1.00 0.00 O ATOM 185 CB GLN A 15 -13.056 -12.748 2.090 1.00 0.00 C ATOM 186 CG GLN A 15 -14.358 -13.515 1.919 1.00 0.00 C ATOM 187 CD GLN A 15 -14.787 -13.619 0.468 1.00 0.00 C ATOM 188 OE1 GLN A 15 -15.666 -12.885 0.015 1.00 0.00 O ATOM 189 NE2 GLN A 15 -14.169 -14.534 -0.268 1.00 0.00 N ATOM 0 H GLN A 15 -12.092 -13.987 3.988 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.015 -14.423 1.236 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.047 -12.278 3.074 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.017 -11.946 1.353 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.242 -14.517 2.333 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -15.144 -13.022 2.492 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.446 -15.121 0.149 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.417 -14.651 -1.251 1.00 0.00 H new ATOM 198 N MET A 16 -9.996 -12.045 2.287 1.00 0.00 N ATOM 199 CA MET A 16 -8.871 -11.204 1.895 1.00 0.00 C ATOM 200 C MET A 16 -7.853 -12.000 1.085 1.00 0.00 C ATOM 201 O MET A 16 -7.755 -13.220 1.220 1.00 0.00 O ATOM 202 CB MET A 16 -8.200 -10.605 3.133 1.00 0.00 C ATOM 203 CG MET A 16 -9.129 -9.743 3.971 1.00 0.00 C ATOM 204 SD MET A 16 -8.349 -9.150 5.485 1.00 0.00 S ATOM 205 CE MET A 16 -9.778 -8.570 6.397 1.00 0.00 C ATOM 0 H MET A 16 -10.224 -12.009 3.281 1.00 0.00 H new ATOM 0 HA MET A 16 -9.253 -10.396 1.271 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.811 -11.413 3.752 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.346 -10.005 2.819 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.459 -8.890 3.379 1.00 0.00 H new ATOM 0 HG3 MET A 16 -10.019 -10.317 4.227 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.522 -8.473 7.452 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.088 -7.600 6.009 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.595 -9.283 6.286 1.00 0.00 H new ATOM 215 N VAL A 17 -7.097 -11.303 0.243 1.00 0.00 N ATOM 216 CA VAL A 17 -6.086 -11.945 -0.588 1.00 0.00 C ATOM 217 C VAL A 17 -4.757 -11.203 -0.508 1.00 0.00 C ATOM 218 O VAL A 17 -4.722 -9.974 -0.460 1.00 0.00 O ATOM 219 CB VAL A 17 -6.533 -12.017 -2.061 1.00 0.00 C ATOM 220 CG1 VAL A 17 -7.715 -12.962 -2.214 1.00 0.00 C ATOM 221 CG2 VAL A 17 -6.878 -10.629 -2.581 1.00 0.00 C ATOM 0 H VAL A 17 -7.166 -10.293 0.118 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.958 -12.957 -0.205 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.707 -12.408 -2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.017 -13.000 -3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.428 -13.960 -1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.548 -12.604 -1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.192 -10.698 -3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.688 -10.208 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.002 -9.985 -2.508 1.00 0.00 H new ATOM 231 N SER A 18 -3.663 -11.959 -0.494 1.00 0.00 N ATOM 232 CA SER A 18 -2.330 -11.374 -0.416 1.00 0.00 C ATOM 233 C SER A 18 -1.706 -11.257 -1.803 1.00 0.00 C ATOM 234 O SER A 18 -1.543 -12.253 -2.508 1.00 0.00 O ATOM 235 CB SER A 18 -1.432 -12.218 0.490 1.00 0.00 C ATOM 236 OG SER A 18 -1.172 -13.486 -0.087 1.00 0.00 O ATOM 0 H SER A 18 -3.674 -12.978 -0.536 1.00 0.00 H new ATOM 0 HA SER A 18 -2.423 -10.374 0.007 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.492 -11.695 0.665 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.909 -12.348 1.461 1.00 0.00 H new ATOM 0 HG SER A 18 -1.367 -13.455 -1.047 1.00 0.00 H new ATOM 242 N GLU A 19 -1.359 -10.033 -2.188 1.00 0.00 N ATOM 243 CA GLU A 19 -0.754 -9.786 -3.492 1.00 0.00 C ATOM 244 C GLU A 19 0.629 -9.159 -3.339 1.00 0.00 C ATOM 245 O GLU A 19 0.953 -8.590 -2.297 1.00 0.00 O ATOM 246 CB GLU A 19 -1.650 -8.871 -4.330 1.00 0.00 C ATOM 247 CG GLU A 19 -2.672 -9.622 -5.167 1.00 0.00 C ATOM 248 CD GLU A 19 -2.073 -10.814 -5.888 1.00 0.00 C ATOM 249 OE1 GLU A 19 -1.102 -10.619 -6.649 1.00 0.00 O ATOM 250 OE2 GLU A 19 -2.575 -11.940 -5.692 1.00 0.00 O ATOM 0 H GLU A 19 -1.486 -9.198 -1.616 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.647 -10.744 -4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.172 -8.181 -3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.025 -8.268 -4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.484 -9.962 -4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.108 -8.941 -5.898 1.00 0.00 H new ATOM 257 N ASP A 20 1.441 -9.270 -4.385 1.00 0.00 N ATOM 258 CA ASP A 20 2.789 -8.715 -4.369 1.00 0.00 C ATOM 259 C ASP A 20 2.886 -7.496 -5.281 1.00 0.00 C ATOM 260 O ASP A 20 2.800 -7.614 -6.503 1.00 0.00 O ATOM 261 CB ASP A 20 3.805 -9.773 -4.802 1.00 0.00 C ATOM 262 CG ASP A 20 3.983 -10.863 -3.763 1.00 0.00 C ATOM 263 OD1 ASP A 20 4.520 -10.564 -2.676 1.00 0.00 O ATOM 264 OD2 ASP A 20 3.587 -12.015 -4.038 1.00 0.00 O ATOM 0 H ASP A 20 1.189 -9.739 -5.255 1.00 0.00 H new ATOM 0 HA ASP A 20 3.014 -8.402 -3.349 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.482 -10.220 -5.742 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.766 -9.294 -4.991 1.00 0.00 H new ATOM 269 N VAL A 21 3.064 -6.324 -4.679 1.00 0.00 N ATOM 270 CA VAL A 21 3.173 -5.084 -5.436 1.00 0.00 C ATOM 271 C VAL A 21 4.606 -4.562 -5.435 1.00 0.00 C ATOM 272 O VAL A 21 5.182 -4.260 -4.390 1.00 0.00 O ATOM 273 CB VAL A 21 2.242 -3.996 -4.868 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.983 -2.917 -5.909 1.00 0.00 C ATOM 275 CG2 VAL A 21 0.936 -4.610 -4.388 1.00 0.00 C ATOM 0 H VAL A 21 3.136 -6.208 -3.668 1.00 0.00 H new ATOM 0 HA VAL A 21 2.873 -5.311 -6.459 1.00 0.00 H new ATOM 0 HB VAL A 21 2.734 -3.531 -4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.323 -2.157 -5.489 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.928 -2.457 -6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.512 -3.362 -6.785 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.291 -3.827 -3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.437 -5.102 -5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.143 -5.341 -3.607 1.00 0.00 H new ATOM 285 N PRO A 22 5.196 -4.454 -6.635 1.00 0.00 N ATOM 286 CA PRO A 22 6.570 -3.968 -6.799 1.00 0.00 C ATOM 287 C PRO A 22 6.699 -2.480 -6.492 1.00 0.00 C ATOM 288 O PRO A 22 6.377 -1.633 -7.326 1.00 0.00 O ATOM 289 CB PRO A 22 6.866 -4.236 -8.277 1.00 0.00 C ATOM 290 CG PRO A 22 5.530 -4.240 -8.936 1.00 0.00 C ATOM 291 CD PRO A 22 4.569 -4.796 -7.922 1.00 0.00 C ATOM 0 HA PRO A 22 7.261 -4.460 -6.115 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.512 -3.466 -8.697 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.377 -5.189 -8.412 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.240 -3.233 -9.237 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.542 -4.851 -9.838 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.580 -4.349 -8.018 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.444 -5.873 -8.035 1.00 0.00 H new ATOM 299 N LEU A 23 7.171 -2.168 -5.290 1.00 0.00 N ATOM 300 CA LEU A 23 7.344 -0.781 -4.872 1.00 0.00 C ATOM 301 C LEU A 23 8.817 -0.461 -4.640 1.00 0.00 C ATOM 302 O LEU A 23 9.486 -1.114 -3.839 1.00 0.00 O ATOM 303 CB LEU A 23 6.545 -0.509 -3.596 1.00 0.00 C ATOM 304 CG LEU A 23 6.418 0.958 -3.184 1.00 0.00 C ATOM 305 CD1 LEU A 23 5.630 1.739 -4.224 1.00 0.00 C ATOM 306 CD2 LEU A 23 5.760 1.072 -1.816 1.00 0.00 C ATOM 0 H LEU A 23 7.441 -2.857 -4.588 1.00 0.00 H new ATOM 0 HA LEU A 23 6.973 -0.138 -5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.543 -0.918 -3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.010 -1.057 -2.776 1.00 0.00 H new ATOM 0 HG LEU A 23 7.419 1.386 -3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.550 2.781 -3.913 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.142 1.685 -5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.632 1.312 -4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.678 2.123 -1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.766 0.627 -1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.365 0.548 -1.076 1.00 0.00 H new ATOM 318 N ASP A 24 9.316 0.548 -5.345 1.00 0.00 N ATOM 319 CA ASP A 24 10.710 0.957 -5.214 1.00 0.00 C ATOM 320 C ASP A 24 11.044 1.291 -3.764 1.00 0.00 C ATOM 321 O ASP A 24 10.230 1.874 -3.046 1.00 0.00 O ATOM 322 CB ASP A 24 10.995 2.165 -6.107 1.00 0.00 C ATOM 323 CG ASP A 24 12.478 2.447 -6.245 1.00 0.00 C ATOM 324 OD1 ASP A 24 13.233 2.130 -5.301 1.00 0.00 O ATOM 325 OD2 ASP A 24 12.885 2.983 -7.296 1.00 0.00 O ATOM 0 H ASP A 24 8.776 1.098 -6.013 1.00 0.00 H new ATOM 0 HA ASP A 24 11.339 0.125 -5.530 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.568 1.992 -7.095 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.498 3.043 -5.695 1.00 0.00 H new ATOM 330 N HIS A 25 12.246 0.917 -3.338 1.00 0.00 N ATOM 331 CA HIS A 25 12.688 1.176 -1.972 1.00 0.00 C ATOM 332 C HIS A 25 12.988 2.658 -1.770 1.00 0.00 C ATOM 333 O HIS A 25 13.157 3.119 -0.641 1.00 0.00 O ATOM 334 CB HIS A 25 13.929 0.344 -1.648 1.00 0.00 C ATOM 335 CG HIS A 25 15.167 0.819 -2.344 1.00 0.00 C ATOM 336 ND1 HIS A 25 16.218 1.422 -1.685 1.00 0.00 N ATOM 337 CD2 HIS A 25 15.521 0.776 -3.650 1.00 0.00 C ATOM 338 CE1 HIS A 25 17.162 1.731 -2.555 1.00 0.00 C ATOM 339 NE2 HIS A 25 16.764 1.349 -3.755 1.00 0.00 N ATOM 0 H HIS A 25 12.931 0.434 -3.919 1.00 0.00 H new ATOM 0 HA HIS A 25 11.882 0.891 -1.296 1.00 0.00 H new ATOM 0 HB2 HIS A 25 14.098 0.362 -0.571 1.00 0.00 H new ATOM 0 HB3 HIS A 25 13.743 -0.694 -1.924 1.00 0.00 H new ATOM 0 HD2 HIS A 25 14.934 0.367 -4.459 1.00 0.00 H new ATOM 0 HE1 HIS A 25 18.100 2.214 -2.325 1.00 0.00 H new ATOM 0 HE2 HIS A 25 17.294 1.461 -4.619 1.00 0.00 H new ATOM 347 N ARG A 26 13.053 3.399 -2.872 1.00 0.00 N ATOM 348 CA ARG A 26 13.335 4.828 -2.815 1.00 0.00 C ATOM 349 C ARG A 26 12.084 5.615 -2.435 1.00 0.00 C ATOM 350 O ARG A 26 12.170 6.693 -1.848 1.00 0.00 O ATOM 351 CB ARG A 26 13.868 5.318 -4.163 1.00 0.00 C ATOM 352 CG ARG A 26 15.304 4.904 -4.437 1.00 0.00 C ATOM 353 CD ARG A 26 15.922 5.739 -5.548 1.00 0.00 C ATOM 354 NE ARG A 26 17.026 5.044 -6.205 1.00 0.00 N ATOM 355 CZ ARG A 26 16.867 3.970 -6.971 1.00 0.00 C ATOM 356 NH1 ARG A 26 15.656 3.471 -7.176 1.00 0.00 N ATOM 357 NH2 ARG A 26 17.921 3.394 -7.535 1.00 0.00 N ATOM 0 H ARG A 26 12.914 3.033 -3.814 1.00 0.00 H new ATOM 0 HA ARG A 26 14.093 4.993 -2.050 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.230 4.933 -4.958 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.799 6.405 -4.198 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.895 5.012 -3.527 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.334 3.850 -4.713 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.158 5.984 -6.285 1.00 0.00 H new ATOM 0 HD3 ARG A 26 16.281 6.682 -5.136 1.00 0.00 H new ATOM 0 HE ARG A 26 17.971 5.403 -6.068 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.843 3.912 -6.745 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.537 2.646 -7.765 1.00 0.00 H new ATOM 0 HH21 ARG A 26 18.854 3.776 -7.381 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.798 2.570 -8.123 1.00 0.00 H new ATOM 371 N VAL A 27 10.921 5.067 -2.774 1.00 0.00 N ATOM 372 CA VAL A 27 9.652 5.716 -2.468 1.00 0.00 C ATOM 373 C VAL A 27 8.982 5.071 -1.260 1.00 0.00 C ATOM 374 O VAL A 27 7.880 5.456 -0.868 1.00 0.00 O ATOM 375 CB VAL A 27 8.688 5.658 -3.667 1.00 0.00 C ATOM 376 CG1 VAL A 27 9.344 6.243 -4.909 1.00 0.00 C ATOM 377 CG2 VAL A 27 8.235 4.227 -3.918 1.00 0.00 C ATOM 0 H VAL A 27 10.832 4.175 -3.261 1.00 0.00 H new ATOM 0 HA VAL A 27 9.877 6.758 -2.242 1.00 0.00 H new ATOM 0 HB VAL A 27 7.809 6.258 -3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.648 6.193 -5.746 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.614 7.283 -4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.241 5.673 -5.149 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.554 4.205 -4.769 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.103 3.603 -4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.723 3.847 -3.034 1.00 0.00 H new ATOM 387 N HIS A 28 9.655 4.086 -0.673 1.00 0.00 N ATOM 388 CA HIS A 28 9.125 3.387 0.493 1.00 0.00 C ATOM 389 C HIS A 28 8.883 4.357 1.645 1.00 0.00 C ATOM 390 O HIS A 28 7.750 4.537 2.090 1.00 0.00 O ATOM 391 CB HIS A 28 10.088 2.284 0.933 1.00 0.00 C ATOM 392 CG HIS A 28 9.826 0.963 0.278 1.00 0.00 C ATOM 393 ND1 HIS A 28 9.095 0.647 -0.816 1.00 0.00 N flip ATOM 394 CD2 HIS A 28 10.343 -0.226 0.748 1.00 0.00 C flip ATOM 395 CE1 HIS A 28 9.183 -0.713 -0.987 1.00 0.00 C flip ATOM 396 NE2 HIS A 28 9.943 -1.216 -0.030 1.00 0.00 N flip ATOM 0 H HIS A 28 10.568 3.754 -0.985 1.00 0.00 H new ATOM 0 HA HIS A 28 8.172 2.937 0.214 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.109 2.594 0.710 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.020 2.164 2.014 1.00 0.00 H new ATOM 0 HD1 HIS A 28 8.575 1.298 -1.404 1.00 0.00 H new ATOM 0 HD2 HIS A 28 10.976 -0.331 1.617 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.709 -1.279 -1.775 1.00 0.00 H new ATOM 404 N ALA A 29 9.956 4.980 2.123 1.00 0.00 N ATOM 405 CA ALA A 29 9.859 5.932 3.222 1.00 0.00 C ATOM 406 C ALA A 29 8.928 7.087 2.868 1.00 0.00 C ATOM 407 O ALA A 29 8.124 7.523 3.692 1.00 0.00 O ATOM 408 CB ALA A 29 11.239 6.458 3.588 1.00 0.00 C ATOM 0 H ALA A 29 10.902 4.842 1.766 1.00 0.00 H new ATOM 0 HA ALA A 29 9.439 5.412 4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.151 7.168 4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.876 5.627 3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.680 6.956 2.724 1.00 0.00 H new ATOM 414 N ARG A 30 9.042 7.577 1.638 1.00 0.00 N ATOM 415 CA ARG A 30 8.211 8.682 1.176 1.00 0.00 C ATOM 416 C ARG A 30 6.733 8.389 1.417 1.00 0.00 C ATOM 417 O ARG A 30 5.941 9.300 1.659 1.00 0.00 O ATOM 418 CB ARG A 30 8.454 8.944 -0.311 1.00 0.00 C ATOM 419 CG ARG A 30 9.570 9.939 -0.580 1.00 0.00 C ATOM 420 CD ARG A 30 10.937 9.331 -0.308 1.00 0.00 C ATOM 421 NE ARG A 30 11.933 10.347 0.021 1.00 0.00 N ATOM 422 CZ ARG A 30 12.390 11.238 -0.852 1.00 0.00 C ATOM 423 NH1 ARG A 30 11.942 11.239 -2.100 1.00 0.00 N ATOM 424 NH2 ARG A 30 13.297 12.131 -0.476 1.00 0.00 N ATOM 0 H ARG A 30 9.702 7.226 0.944 1.00 0.00 H new ATOM 0 HA ARG A 30 8.485 9.571 1.744 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.693 8.001 -0.803 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.533 9.314 -0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.519 10.273 -1.616 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.432 10.820 0.046 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.860 8.619 0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.266 8.772 -1.184 1.00 0.00 H new ATOM 0 HE ARG A 30 12.298 10.374 0.973 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.245 10.554 -2.392 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.295 11.924 -2.768 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.643 12.133 0.483 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.648 12.815 -1.146 1.00 0.00 H new ATOM 438 N ILE A 31 6.369 7.113 1.348 1.00 0.00 N ATOM 439 CA ILE A 31 4.987 6.700 1.560 1.00 0.00 C ATOM 440 C ILE A 31 4.736 6.349 3.022 1.00 0.00 C ATOM 441 O ILE A 31 3.767 6.812 3.624 1.00 0.00 O ATOM 442 CB ILE A 31 4.621 5.489 0.682 1.00 0.00 C ATOM 443 CG1 ILE A 31 4.689 5.865 -0.799 1.00 0.00 C ATOM 444 CG2 ILE A 31 3.235 4.974 1.041 1.00 0.00 C ATOM 445 CD1 ILE A 31 4.766 4.671 -1.724 1.00 0.00 C ATOM 0 H ILE A 31 7.012 6.347 1.147 1.00 0.00 H new ATOM 0 HA ILE A 31 4.358 7.545 1.279 1.00 0.00 H new ATOM 0 HB ILE A 31 5.342 4.693 0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.810 6.457 -1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.560 6.499 -0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.991 4.118 0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.219 4.671 2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.501 5.763 0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.811 5.014 -2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.659 4.090 -1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.883 4.047 -1.587 1.00 0.00 H new ATOM 457 N ILE A 32 5.615 5.528 3.587 1.00 0.00 N ATOM 458 CA ILE A 32 5.490 5.118 4.980 1.00 0.00 C ATOM 459 C ILE A 32 5.243 6.318 5.887 1.00 0.00 C ATOM 460 O ILE A 32 4.320 6.315 6.701 1.00 0.00 O ATOM 461 CB ILE A 32 6.750 4.374 5.463 1.00 0.00 C ATOM 462 CG1 ILE A 32 6.914 3.057 4.702 1.00 0.00 C ATOM 463 CG2 ILE A 32 6.673 4.121 6.961 1.00 0.00 C ATOM 464 CD1 ILE A 32 8.267 2.410 4.899 1.00 0.00 C ATOM 0 H ILE A 32 6.421 5.134 3.102 1.00 0.00 H new ATOM 0 HA ILE A 32 4.636 4.443 5.035 1.00 0.00 H new ATOM 0 HB ILE A 32 7.622 4.997 5.264 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.138 2.362 5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.759 3.239 3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.570 3.595 7.288 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.599 5.073 7.487 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.795 3.514 7.183 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.312 1.481 4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.048 3.086 4.551 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.417 2.196 5.957 1.00 0.00 H new ATOM 476 N GLY A 33 6.074 7.345 5.740 1.00 0.00 N ATOM 477 CA GLY A 33 5.928 8.540 6.552 1.00 0.00 C ATOM 478 C GLY A 33 6.763 8.487 7.816 1.00 0.00 C ATOM 479 O GLY A 33 6.739 7.495 8.543 1.00 0.00 O ATOM 0 H GLY A 33 6.846 7.371 5.073 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.217 9.412 5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.879 8.669 6.818 1.00 0.00 H new ATOM 483 N ALA A 34 7.505 9.559 8.078 1.00 0.00 N ATOM 484 CA ALA A 34 8.351 9.631 9.262 1.00 0.00 C ATOM 485 C ALA A 34 7.687 8.948 10.453 1.00 0.00 C ATOM 486 O ALA A 34 8.248 8.024 11.043 1.00 0.00 O ATOM 487 CB ALA A 34 8.672 11.080 9.594 1.00 0.00 C ATOM 0 H ALA A 34 7.537 10.389 7.486 1.00 0.00 H new ATOM 0 HA ALA A 34 9.281 9.105 9.046 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.305 11.119 10.481 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.195 11.538 8.755 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.746 11.623 9.785 1.00 0.00 H new ATOM 493 N ARG A 35 6.491 9.409 10.803 1.00 0.00 N ATOM 494 CA ARG A 35 5.752 8.844 11.925 1.00 0.00 C ATOM 495 C ARG A 35 5.148 7.493 11.553 1.00 0.00 C ATOM 496 O ARG A 35 4.974 6.623 12.406 1.00 0.00 O ATOM 497 CB ARG A 35 4.646 9.803 12.370 1.00 0.00 C ATOM 498 CG ARG A 35 3.726 9.221 13.431 1.00 0.00 C ATOM 499 CD ARG A 35 4.245 9.501 14.833 1.00 0.00 C ATOM 500 NE ARG A 35 3.855 8.459 15.779 1.00 0.00 N ATOM 501 CZ ARG A 35 4.371 8.342 16.997 1.00 0.00 C ATOM 502 NH1 ARG A 35 5.293 9.199 17.416 1.00 0.00 N ATOM 503 NH2 ARG A 35 3.965 7.367 17.801 1.00 0.00 N ATOM 0 H ARG A 35 6.013 10.173 10.325 1.00 0.00 H new ATOM 0 HA ARG A 35 6.450 8.697 12.749 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.101 10.715 12.756 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.052 10.087 11.502 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.728 9.644 13.320 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.634 8.145 13.284 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.332 9.580 14.808 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.863 10.463 15.175 1.00 0.00 H new ATOM 0 HE ARG A 35 3.148 7.784 15.488 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.607 9.950 16.802 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.687 9.107 18.352 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.256 6.706 17.484 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.362 7.278 18.736 1.00 0.00 H new ATOM 517 N GLY A 36 4.830 7.324 10.273 1.00 0.00 N ATOM 518 CA GLY A 36 4.249 6.077 9.811 1.00 0.00 C ATOM 519 C GLY A 36 2.743 6.160 9.661 1.00 0.00 C ATOM 520 O GLY A 36 2.077 5.149 9.439 1.00 0.00 O ATOM 0 H GLY A 36 4.964 8.029 9.548 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.692 5.806 8.853 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.498 5.281 10.513 1.00 0.00 H new ATOM 524 N LYS A 37 2.203 7.367 9.786 1.00 0.00 N ATOM 525 CA LYS A 37 0.765 7.580 9.664 1.00 0.00 C ATOM 526 C LYS A 37 0.352 7.675 8.199 1.00 0.00 C ATOM 527 O LYS A 37 -0.705 7.180 7.809 1.00 0.00 O ATOM 528 CB LYS A 37 0.352 8.853 10.405 1.00 0.00 C ATOM 529 CG LYS A 37 -1.149 9.084 10.428 1.00 0.00 C ATOM 530 CD LYS A 37 -1.490 10.481 10.918 1.00 0.00 C ATOM 531 CE LYS A 37 -2.912 10.551 11.455 1.00 0.00 C ATOM 532 NZ LYS A 37 -3.022 9.953 12.814 1.00 0.00 N ATOM 0 H LYS A 37 2.740 8.214 9.972 1.00 0.00 H new ATOM 0 HA LYS A 37 0.257 6.726 10.112 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.719 8.802 11.430 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.836 9.710 9.936 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.556 8.939 9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.622 8.345 11.075 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.790 10.775 11.700 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.373 11.193 10.101 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.237 11.591 11.489 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.584 10.029 10.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.980 10.111 13.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.835 8.931 12.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.327 10.399 13.447 1.00 0.00 H new ATOM 546 N ALA A 38 1.193 8.313 7.392 1.00 0.00 N ATOM 547 CA ALA A 38 0.915 8.469 5.969 1.00 0.00 C ATOM 548 C ALA A 38 0.335 7.189 5.379 1.00 0.00 C ATOM 549 O ALA A 38 -0.731 7.206 4.763 1.00 0.00 O ATOM 550 CB ALA A 38 2.181 8.869 5.225 1.00 0.00 C ATOM 0 H ALA A 38 2.072 8.730 7.699 1.00 0.00 H new ATOM 0 HA ALA A 38 0.173 9.259 5.854 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.959 8.982 4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.552 9.814 5.621 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.940 8.098 5.357 1.00 0.00 H new ATOM 556 N ILE A 39 1.042 6.081 5.571 1.00 0.00 N ATOM 557 CA ILE A 39 0.596 4.792 5.057 1.00 0.00 C ATOM 558 C ILE A 39 -0.731 4.379 5.686 1.00 0.00 C ATOM 559 O ILE A 39 -1.525 3.666 5.072 1.00 0.00 O ATOM 560 CB ILE A 39 1.639 3.690 5.318 1.00 0.00 C ATOM 561 CG1 ILE A 39 1.213 2.383 4.645 1.00 0.00 C ATOM 562 CG2 ILE A 39 1.830 3.484 6.814 1.00 0.00 C ATOM 563 CD1 ILE A 39 1.267 2.436 3.134 1.00 0.00 C ATOM 0 H ILE A 39 1.926 6.050 6.079 1.00 0.00 H new ATOM 0 HA ILE A 39 0.465 4.910 3.981 1.00 0.00 H new ATOM 0 HB ILE A 39 2.591 4.004 4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.857 1.577 4.995 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.197 2.138 4.956 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.570 2.702 6.982 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.174 4.413 7.268 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.882 3.189 7.265 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.952 1.476 2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.601 3.220 2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.287 2.650 2.814 1.00 0.00 H new ATOM 575 N ARG A 40 -0.964 4.833 6.913 1.00 0.00 N ATOM 576 CA ARG A 40 -2.195 4.511 7.625 1.00 0.00 C ATOM 577 C ARG A 40 -3.407 5.097 6.908 1.00 0.00 C ATOM 578 O ARG A 40 -4.487 4.506 6.905 1.00 0.00 O ATOM 579 CB ARG A 40 -2.133 5.041 9.059 1.00 0.00 C ATOM 580 CG ARG A 40 -3.010 4.270 10.032 1.00 0.00 C ATOM 581 CD ARG A 40 -2.384 2.937 10.410 1.00 0.00 C ATOM 582 NE ARG A 40 -3.006 2.356 11.597 1.00 0.00 N ATOM 583 CZ ARG A 40 -4.235 1.851 11.610 1.00 0.00 C ATOM 584 NH1 ARG A 40 -4.968 1.854 10.505 1.00 0.00 N ATOM 585 NH2 ARG A 40 -4.732 1.340 12.729 1.00 0.00 N ATOM 0 H ARG A 40 -0.317 5.425 7.435 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.298 3.426 7.649 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.100 5.005 9.406 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.434 6.089 9.063 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.170 4.866 10.931 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.989 4.100 9.584 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.478 2.243 9.575 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.318 3.076 10.591 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.468 2.337 12.463 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.589 2.245 9.642 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.911 1.466 10.518 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.171 1.335 13.581 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.676 0.953 12.738 1.00 0.00 H new ATOM 599 N LYS A 41 -3.222 6.264 6.299 1.00 0.00 N ATOM 600 CA LYS A 41 -4.298 6.931 5.577 1.00 0.00 C ATOM 601 C LYS A 41 -4.814 6.056 4.439 1.00 0.00 C ATOM 602 O LYS A 41 -6.022 5.887 4.271 1.00 0.00 O ATOM 603 CB LYS A 41 -3.814 8.273 5.024 1.00 0.00 C ATOM 604 CG LYS A 41 -4.539 8.707 3.761 1.00 0.00 C ATOM 605 CD LYS A 41 -3.974 10.008 3.214 1.00 0.00 C ATOM 606 CE LYS A 41 -4.435 11.204 4.033 1.00 0.00 C ATOM 607 NZ LYS A 41 -5.729 11.750 3.537 1.00 0.00 N ATOM 0 H LYS A 41 -2.335 6.768 6.292 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.116 7.107 6.276 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.943 9.039 5.788 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.746 8.207 4.816 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.455 7.926 3.005 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.601 8.831 3.974 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.885 9.962 3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.286 10.134 2.177 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.541 10.910 5.077 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.674 11.984 3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.009 12.564 4.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.621 12.054 2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.461 11.014 3.595 1.00 0.00 H new ATOM 621 N ILE A 42 -3.890 5.502 3.660 1.00 0.00 N ATOM 622 CA ILE A 42 -4.252 4.642 2.540 1.00 0.00 C ATOM 623 C ILE A 42 -4.849 3.326 3.027 1.00 0.00 C ATOM 624 O ILE A 42 -5.885 2.883 2.533 1.00 0.00 O ATOM 625 CB ILE A 42 -3.035 4.341 1.646 1.00 0.00 C ATOM 626 CG1 ILE A 42 -2.367 5.643 1.201 1.00 0.00 C ATOM 627 CG2 ILE A 42 -3.456 3.516 0.439 1.00 0.00 C ATOM 628 CD1 ILE A 42 -0.878 5.509 0.966 1.00 0.00 C ATOM 0 H ILE A 42 -2.886 5.633 3.784 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.997 5.182 1.956 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.313 3.763 2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.842 5.990 0.283 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.540 6.408 1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.585 3.311 -0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.891 2.575 0.775 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.194 4.070 -0.141 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.471 6.471 0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.391 5.192 1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.698 4.768 0.187 1.00 0.00 H new ATOM 640 N MET A 43 -4.188 2.707 4.000 1.00 0.00 N ATOM 641 CA MET A 43 -4.656 1.443 4.557 1.00 0.00 C ATOM 642 C MET A 43 -6.108 1.553 5.012 1.00 0.00 C ATOM 643 O MET A 43 -6.862 0.582 4.951 1.00 0.00 O ATOM 644 CB MET A 43 -3.772 1.020 5.731 1.00 0.00 C ATOM 645 CG MET A 43 -2.524 0.261 5.310 1.00 0.00 C ATOM 646 SD MET A 43 -1.735 -0.597 6.686 1.00 0.00 S ATOM 647 CE MET A 43 -0.356 0.497 7.020 1.00 0.00 C ATOM 0 H MET A 43 -3.327 3.060 4.419 1.00 0.00 H new ATOM 0 HA MET A 43 -4.596 0.686 3.775 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.476 1.907 6.290 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.355 0.396 6.408 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.787 -0.463 4.538 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.813 0.957 4.865 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.010 0.344 8.042 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.456 0.281 6.326 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.674 1.532 6.896 1.00 0.00 H new ATOM 657 N ASP A 44 -6.492 2.740 5.467 1.00 0.00 N ATOM 658 CA ASP A 44 -7.853 2.977 5.932 1.00 0.00 C ATOM 659 C ASP A 44 -8.783 3.278 4.761 1.00 0.00 C ATOM 660 O ASP A 44 -9.928 2.828 4.733 1.00 0.00 O ATOM 661 CB ASP A 44 -7.880 4.135 6.931 1.00 0.00 C ATOM 662 CG ASP A 44 -7.590 3.684 8.349 1.00 0.00 C ATOM 663 OD1 ASP A 44 -8.192 2.681 8.787 1.00 0.00 O ATOM 664 OD2 ASP A 44 -6.761 4.332 9.020 1.00 0.00 O ATOM 0 H ASP A 44 -5.879 3.554 5.524 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.203 2.072 6.428 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.146 4.884 6.634 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.858 4.616 6.899 1.00 0.00 H new ATOM 669 N GLU A 45 -8.282 4.043 3.795 1.00 0.00 N ATOM 670 CA GLU A 45 -9.069 4.405 2.622 1.00 0.00 C ATOM 671 C GLU A 45 -9.653 3.163 1.955 1.00 0.00 C ATOM 672 O GLU A 45 -10.858 3.083 1.715 1.00 0.00 O ATOM 673 CB GLU A 45 -8.208 5.178 1.622 1.00 0.00 C ATOM 674 CG GLU A 45 -8.994 5.745 0.452 1.00 0.00 C ATOM 675 CD GLU A 45 -9.612 7.094 0.764 1.00 0.00 C ATOM 676 OE1 GLU A 45 -8.891 7.970 1.286 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.816 7.275 0.486 1.00 0.00 O ATOM 0 H GLU A 45 -7.336 4.423 3.802 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.891 5.041 2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.707 5.995 2.142 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.429 4.518 1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.335 5.842 -0.411 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.781 5.044 0.174 1.00 0.00 H new ATOM 684 N PHE A 46 -8.791 2.197 1.657 1.00 0.00 N ATOM 685 CA PHE A 46 -9.220 0.960 1.015 1.00 0.00 C ATOM 686 C PHE A 46 -9.287 -0.181 2.026 1.00 0.00 C ATOM 687 O PHE A 46 -9.425 -1.347 1.655 1.00 0.00 O ATOM 688 CB PHE A 46 -8.265 0.593 -0.123 1.00 0.00 C ATOM 689 CG PHE A 46 -8.054 1.705 -1.110 1.00 0.00 C ATOM 690 CD1 PHE A 46 -9.012 1.988 -2.070 1.00 0.00 C ATOM 691 CD2 PHE A 46 -6.897 2.467 -1.078 1.00 0.00 C ATOM 692 CE1 PHE A 46 -8.819 3.010 -2.980 1.00 0.00 C ATOM 693 CE2 PHE A 46 -6.699 3.491 -1.985 1.00 0.00 C ATOM 694 CZ PHE A 46 -7.662 3.763 -2.937 1.00 0.00 C ATOM 0 H PHE A 46 -7.791 2.247 1.850 1.00 0.00 H new ATOM 0 HA PHE A 46 -10.217 1.119 0.605 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -7.302 0.305 0.300 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -8.656 -0.279 -0.648 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -9.919 1.404 -2.108 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.141 2.258 -0.336 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -9.573 3.220 -3.725 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.793 4.077 -1.949 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.511 4.563 -3.646 1.00 0.00 H new ATOM 704 N LYS A 47 -9.189 0.163 3.305 1.00 0.00 N ATOM 705 CA LYS A 47 -9.240 -0.830 4.371 1.00 0.00 C ATOM 706 C LYS A 47 -8.340 -2.020 4.050 1.00 0.00 C ATOM 707 O LYS A 47 -8.751 -3.173 4.175 1.00 0.00 O ATOM 708 CB LYS A 47 -10.678 -1.308 4.584 1.00 0.00 C ATOM 709 CG LYS A 47 -11.649 -0.188 4.912 1.00 0.00 C ATOM 710 CD LYS A 47 -11.470 0.305 6.339 1.00 0.00 C ATOM 711 CE LYS A 47 -12.278 -0.529 7.322 1.00 0.00 C ATOM 712 NZ LYS A 47 -13.656 0.007 7.501 1.00 0.00 N ATOM 0 H LYS A 47 -9.074 1.123 3.629 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.880 -0.361 5.287 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.018 -1.821 3.684 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.693 -2.039 5.393 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.499 0.640 4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.671 -0.539 4.773 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.415 0.266 6.609 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.778 1.348 6.406 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.332 -1.558 6.967 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.768 -0.550 8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.175 -0.588 8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.605 0.980 7.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.151 0.004 6.587 1.00 0.00 H new ATOM 726 N VAL A 48 -7.110 -1.731 3.637 1.00 0.00 N ATOM 727 CA VAL A 48 -6.151 -2.776 3.300 1.00 0.00 C ATOM 728 C VAL A 48 -4.953 -2.748 4.243 1.00 0.00 C ATOM 729 O VAL A 48 -4.768 -1.794 4.999 1.00 0.00 O ATOM 730 CB VAL A 48 -5.653 -2.635 1.850 1.00 0.00 C ATOM 731 CG1 VAL A 48 -6.734 -3.061 0.869 1.00 0.00 C ATOM 732 CG2 VAL A 48 -5.207 -1.206 1.577 1.00 0.00 C ATOM 0 H VAL A 48 -6.754 -0.781 3.528 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.671 -3.728 3.406 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.794 -3.292 1.714 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.363 -2.954 -0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.001 -4.102 1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.614 -2.432 1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.858 -1.124 0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.046 -0.527 1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.397 -0.941 2.257 1.00 0.00 H new ATOM 742 N ASP A 49 -4.142 -3.798 4.191 1.00 0.00 N ATOM 743 CA ASP A 49 -2.960 -3.894 5.040 1.00 0.00 C ATOM 744 C ASP A 49 -1.696 -4.035 4.197 1.00 0.00 C ATOM 745 O ASP A 49 -1.430 -5.098 3.633 1.00 0.00 O ATOM 746 CB ASP A 49 -3.086 -5.081 5.995 1.00 0.00 C ATOM 747 CG ASP A 49 -3.765 -4.706 7.298 1.00 0.00 C ATOM 748 OD1 ASP A 49 -3.786 -3.502 7.631 1.00 0.00 O ATOM 749 OD2 ASP A 49 -4.275 -5.615 7.985 1.00 0.00 O ATOM 0 H ASP A 49 -4.281 -4.595 3.570 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.886 -2.976 5.623 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.652 -5.876 5.509 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.094 -5.480 6.207 1.00 0.00 H new ATOM 754 N ILE A 50 -0.922 -2.959 4.115 1.00 0.00 N ATOM 755 CA ILE A 50 0.313 -2.964 3.341 1.00 0.00 C ATOM 756 C ILE A 50 1.504 -3.356 4.209 1.00 0.00 C ATOM 757 O ILE A 50 1.857 -2.649 5.153 1.00 0.00 O ATOM 758 CB ILE A 50 0.586 -1.587 2.706 1.00 0.00 C ATOM 759 CG1 ILE A 50 -0.655 -1.089 1.963 1.00 0.00 C ATOM 760 CG2 ILE A 50 1.778 -1.665 1.764 1.00 0.00 C ATOM 761 CD1 ILE A 50 -0.610 0.386 1.631 1.00 0.00 C ATOM 0 H ILE A 50 -1.128 -2.072 4.575 1.00 0.00 H new ATOM 0 HA ILE A 50 0.185 -3.701 2.548 1.00 0.00 H new ATOM 0 HB ILE A 50 0.821 -0.877 3.499 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.768 -1.657 1.040 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.537 -1.289 2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.958 -0.684 1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.661 -1.981 2.320 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.570 -2.386 0.973 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.522 0.669 1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.528 0.964 2.552 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.253 0.590 0.997 1.00 0.00 H new ATOM 773 N ARG A 51 2.122 -4.487 3.881 1.00 0.00 N ATOM 774 CA ARG A 51 3.274 -4.973 4.631 1.00 0.00 C ATOM 775 C ARG A 51 4.569 -4.711 3.867 1.00 0.00 C ATOM 776 O ARG A 51 4.823 -5.321 2.828 1.00 0.00 O ATOM 777 CB ARG A 51 3.130 -6.469 4.915 1.00 0.00 C ATOM 778 CG ARG A 51 3.807 -6.912 6.201 1.00 0.00 C ATOM 779 CD ARG A 51 5.320 -6.940 6.054 1.00 0.00 C ATOM 780 NE ARG A 51 5.995 -7.010 7.347 1.00 0.00 N ATOM 781 CZ ARG A 51 7.281 -7.309 7.490 1.00 0.00 C ATOM 782 NH1 ARG A 51 8.028 -7.564 6.424 1.00 0.00 N ATOM 783 NH2 ARG A 51 7.823 -7.353 8.700 1.00 0.00 N ATOM 0 H ARG A 51 1.844 -5.083 3.101 1.00 0.00 H new ATOM 0 HA ARG A 51 3.315 -4.433 5.577 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.071 -6.720 4.967 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.550 -7.031 4.081 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.532 -6.235 7.010 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.449 -7.903 6.479 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.609 -7.798 5.447 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.649 -6.048 5.521 1.00 0.00 H new ATOM 0 HE ARG A 51 5.449 -6.819 8.187 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.615 -7.531 5.492 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.016 -7.793 6.536 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.252 -7.157 9.522 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.811 -7.583 8.808 1.00 0.00 H new ATOM 797 N PHE A 52 5.384 -3.800 4.388 1.00 0.00 N ATOM 798 CA PHE A 52 6.651 -3.456 3.755 1.00 0.00 C ATOM 799 C PHE A 52 7.726 -4.484 4.096 1.00 0.00 C ATOM 800 O PHE A 52 7.696 -5.126 5.147 1.00 0.00 O ATOM 801 CB PHE A 52 7.105 -2.063 4.196 1.00 0.00 C ATOM 802 CG PHE A 52 6.379 -0.948 3.498 1.00 0.00 C ATOM 803 CD1 PHE A 52 5.153 -0.503 3.966 1.00 0.00 C ATOM 804 CD2 PHE A 52 6.923 -0.345 2.376 1.00 0.00 C ATOM 805 CE1 PHE A 52 4.483 0.523 3.325 1.00 0.00 C ATOM 806 CE2 PHE A 52 6.257 0.681 1.731 1.00 0.00 C ATOM 807 CZ PHE A 52 5.036 1.116 2.208 1.00 0.00 C ATOM 0 H PHE A 52 5.189 -3.287 5.248 1.00 0.00 H new ATOM 0 HA PHE A 52 6.500 -3.457 2.675 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.958 -1.965 5.272 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.174 -1.962 4.010 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.716 -0.962 4.840 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.879 -0.680 2.000 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.527 0.860 3.698 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.691 1.141 0.856 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.515 1.919 1.708 1.00 0.00 H new ATOM 817 N PRO A 53 8.699 -4.646 3.187 1.00 0.00 N ATOM 818 CA PRO A 53 9.802 -5.595 3.368 1.00 0.00 C ATOM 819 C PRO A 53 10.766 -5.160 4.466 1.00 0.00 C ATOM 820 O PRO A 53 11.332 -4.069 4.411 1.00 0.00 O ATOM 821 CB PRO A 53 10.502 -5.588 2.008 1.00 0.00 C ATOM 822 CG PRO A 53 10.176 -4.259 1.420 1.00 0.00 C ATOM 823 CD PRO A 53 8.797 -3.916 1.913 1.00 0.00 C ATOM 0 HA PRO A 53 9.447 -6.579 3.675 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.579 -5.719 2.116 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.144 -6.400 1.375 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.900 -3.506 1.731 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.203 -4.297 0.331 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.677 -2.842 2.055 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.028 -4.233 1.208 1.00 0.00 H new ATOM 831 N GLN A 54 10.948 -6.021 5.463 1.00 0.00 N ATOM 832 CA GLN A 54 11.844 -5.724 6.574 1.00 0.00 C ATOM 833 C GLN A 54 13.279 -5.551 6.085 1.00 0.00 C ATOM 834 O GLN A 54 13.596 -5.865 4.938 1.00 0.00 O ATOM 835 CB GLN A 54 11.780 -6.838 7.620 1.00 0.00 C ATOM 836 CG GLN A 54 12.120 -8.213 7.067 1.00 0.00 C ATOM 837 CD GLN A 54 12.429 -9.220 8.156 1.00 0.00 C ATOM 838 OE1 GLN A 54 11.523 -9.803 8.754 1.00 0.00 O ATOM 839 NE2 GLN A 54 13.713 -9.432 8.420 1.00 0.00 N ATOM 0 H GLN A 54 10.487 -6.929 5.524 1.00 0.00 H new ATOM 0 HA GLN A 54 11.519 -4.788 7.030 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.468 -6.602 8.432 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.778 -6.866 8.048 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.285 -8.576 6.468 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.978 -8.130 6.400 1.00 0.00 H new ATOM 0 HE21 GLN A 54 14.431 -8.927 7.900 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.982 -10.100 9.143 1.00 0.00 H new ATOM 848 N SER A 55 14.142 -5.050 6.963 1.00 0.00 N ATOM 849 CA SER A 55 15.542 -4.831 6.619 1.00 0.00 C ATOM 850 C SER A 55 16.133 -6.063 5.941 1.00 0.00 C ATOM 851 O SER A 55 16.649 -5.985 4.827 1.00 0.00 O ATOM 852 CB SER A 55 16.349 -4.488 7.873 1.00 0.00 C ATOM 853 OG SER A 55 17.508 -3.742 7.544 1.00 0.00 O ATOM 0 H SER A 55 13.896 -4.788 7.918 1.00 0.00 H new ATOM 0 HA SER A 55 15.594 -3.994 5.922 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.729 -3.917 8.564 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.637 -5.405 8.387 1.00 0.00 H new ATOM 0 HG SER A 55 18.006 -3.534 8.362 1.00 0.00 H new ATOM 859 N GLY A 56 16.055 -7.202 6.624 1.00 0.00 N ATOM 860 CA GLY A 56 16.586 -8.435 6.073 1.00 0.00 C ATOM 861 C GLY A 56 15.590 -9.147 5.179 1.00 0.00 C ATOM 862 O GLY A 56 15.665 -10.362 5.000 1.00 0.00 O ATOM 0 H GLY A 56 15.634 -7.292 7.549 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.489 -8.215 5.503 1.00 0.00 H new ATOM 0 HA3 GLY A 56 16.877 -9.098 6.888 1.00 0.00 H new ATOM 866 N ALA A 57 14.653 -8.390 4.618 1.00 0.00 N ATOM 867 CA ALA A 57 13.638 -8.956 3.739 1.00 0.00 C ATOM 868 C ALA A 57 14.249 -9.412 2.418 1.00 0.00 C ATOM 869 O ALA A 57 15.250 -8.870 1.949 1.00 0.00 O ATOM 870 CB ALA A 57 12.531 -7.943 3.489 1.00 0.00 C ATOM 0 H ALA A 57 14.576 -7.382 4.757 1.00 0.00 H new ATOM 0 HA ALA A 57 13.211 -9.829 4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.780 -8.380 2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.068 -7.669 4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.951 -7.053 3.020 1.00 0.00 H new ATOM 876 N PRO A 58 13.635 -10.434 1.803 1.00 0.00 N ATOM 877 CA PRO A 58 14.102 -10.985 0.527 1.00 0.00 C ATOM 878 C PRO A 58 13.881 -10.024 -0.636 1.00 0.00 C ATOM 879 O PRO A 58 14.625 -10.040 -1.617 1.00 0.00 O ATOM 880 CB PRO A 58 13.248 -12.243 0.350 1.00 0.00 C ATOM 881 CG PRO A 58 12.011 -11.974 1.136 1.00 0.00 C ATOM 882 CD PRO A 58 12.438 -11.129 2.304 1.00 0.00 C ATOM 0 HA PRO A 58 15.175 -11.178 0.536 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.019 -12.421 -0.701 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.766 -13.128 0.718 1.00 0.00 H new ATOM 0 HG2 PRO A 58 11.269 -11.455 0.530 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.553 -12.904 1.474 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.659 -10.426 2.597 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.664 -11.738 3.179 1.00 0.00 H new ATOM 890 N ASP A 59 12.856 -9.187 -0.519 1.00 0.00 N ATOM 891 CA ASP A 59 12.538 -8.217 -1.560 1.00 0.00 C ATOM 892 C ASP A 59 12.246 -6.847 -0.956 1.00 0.00 C ATOM 893 O ASP A 59 11.107 -6.517 -0.624 1.00 0.00 O ATOM 894 CB ASP A 59 11.338 -8.692 -2.381 1.00 0.00 C ATOM 895 CG ASP A 59 10.268 -9.338 -1.522 1.00 0.00 C ATOM 896 OD1 ASP A 59 9.861 -8.719 -0.517 1.00 0.00 O ATOM 897 OD2 ASP A 59 9.838 -10.461 -1.856 1.00 0.00 O ATOM 0 H ASP A 59 12.231 -9.161 0.287 1.00 0.00 H new ATOM 0 HA ASP A 59 13.404 -8.128 -2.215 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.908 -7.844 -2.915 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.675 -9.405 -3.133 1.00 0.00 H new ATOM 902 N PRO A 60 13.299 -6.029 -0.808 1.00 0.00 N ATOM 903 CA PRO A 60 13.181 -4.682 -0.242 1.00 0.00 C ATOM 904 C PRO A 60 12.444 -3.725 -1.172 1.00 0.00 C ATOM 905 O PRO A 60 12.239 -2.558 -0.842 1.00 0.00 O ATOM 906 CB PRO A 60 14.637 -4.242 -0.066 1.00 0.00 C ATOM 907 CG PRO A 60 15.396 -5.036 -1.073 1.00 0.00 C ATOM 908 CD PRO A 60 14.685 -6.356 -1.181 1.00 0.00 C ATOM 0 HA PRO A 60 12.605 -4.678 0.684 1.00 0.00 H new ATOM 0 HB2 PRO A 60 14.751 -3.172 -0.238 1.00 0.00 H new ATOM 0 HB3 PRO A 60 14.992 -4.442 0.945 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.419 -4.525 -2.036 1.00 0.00 H new ATOM 0 HG3 PRO A 60 16.431 -5.175 -0.761 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.744 -6.763 -2.191 1.00 0.00 H new ATOM 0 HD3 PRO A 60 15.116 -7.101 -0.512 1.00 0.00 H new ATOM 916 N ASN A 61 12.048 -4.227 -2.337 1.00 0.00 N ATOM 917 CA ASN A 61 11.334 -3.416 -3.316 1.00 0.00 C ATOM 918 C ASN A 61 9.946 -3.989 -3.589 1.00 0.00 C ATOM 919 O ASN A 61 9.278 -3.596 -4.547 1.00 0.00 O ATOM 920 CB ASN A 61 12.130 -3.334 -4.620 1.00 0.00 C ATOM 921 CG ASN A 61 12.833 -4.636 -4.951 1.00 0.00 C ATOM 922 OD1 ASN A 61 12.191 -5.661 -5.178 1.00 0.00 O ATOM 923 ND2 ASN A 61 14.161 -4.600 -4.979 1.00 0.00 N ATOM 0 H ASN A 61 12.210 -5.192 -2.626 1.00 0.00 H new ATOM 0 HA ASN A 61 11.219 -2.413 -2.905 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.458 -3.069 -5.437 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.868 -2.535 -4.543 1.00 0.00 H new ATOM 0 HD21 ASN A 61 14.690 -5.445 -5.195 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.652 -3.727 -4.784 1.00 0.00 H new ATOM 930 N CYS A 62 9.520 -4.919 -2.743 1.00 0.00 N ATOM 931 CA CYS A 62 8.212 -5.547 -2.892 1.00 0.00 C ATOM 932 C CYS A 62 7.424 -5.480 -1.588 1.00 0.00 C ATOM 933 O CYS A 62 7.968 -5.714 -0.509 1.00 0.00 O ATOM 934 CB CYS A 62 8.370 -7.004 -3.332 1.00 0.00 C ATOM 935 SG CYS A 62 6.885 -7.714 -4.082 1.00 0.00 S ATOM 0 H CYS A 62 10.061 -5.255 -1.946 1.00 0.00 H new ATOM 0 HA CYS A 62 7.660 -5.001 -3.657 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.191 -7.070 -4.046 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.650 -7.605 -2.467 1.00 0.00 H new ATOM 0 HG CYS A 62 7.118 -8.947 -4.423 1.00 0.00 H new ATOM 941 N VAL A 63 6.139 -5.157 -1.695 1.00 0.00 N ATOM 942 CA VAL A 63 5.275 -5.058 -0.525 1.00 0.00 C ATOM 943 C VAL A 63 4.116 -6.044 -0.611 1.00 0.00 C ATOM 944 O VAL A 63 3.625 -6.349 -1.699 1.00 0.00 O ATOM 945 CB VAL A 63 4.712 -3.634 -0.362 1.00 0.00 C ATOM 946 CG1 VAL A 63 5.841 -2.616 -0.299 1.00 0.00 C ATOM 947 CG2 VAL A 63 3.752 -3.308 -1.497 1.00 0.00 C ATOM 0 H VAL A 63 5.673 -4.959 -2.581 1.00 0.00 H new ATOM 0 HA VAL A 63 5.889 -5.300 0.342 1.00 0.00 H new ATOM 0 HB VAL A 63 4.160 -3.586 0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.423 -1.616 -0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.486 -2.840 0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.424 -2.662 -1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.363 -2.298 -1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.279 -3.374 -2.449 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.925 -4.018 -1.490 1.00 0.00 H new ATOM 957 N THR A 64 3.682 -6.541 0.543 1.00 0.00 N ATOM 958 CA THR A 64 2.581 -7.495 0.598 1.00 0.00 C ATOM 959 C THR A 64 1.287 -6.815 1.030 1.00 0.00 C ATOM 960 O THR A 64 1.110 -6.483 2.203 1.00 0.00 O ATOM 961 CB THR A 64 2.888 -8.652 1.566 1.00 0.00 C ATOM 962 OG1 THR A 64 4.085 -9.326 1.161 1.00 0.00 O ATOM 963 CG2 THR A 64 1.734 -9.642 1.610 1.00 0.00 C ATOM 0 H THR A 64 4.076 -6.299 1.452 1.00 0.00 H new ATOM 0 HA THR A 64 2.459 -7.896 -0.408 1.00 0.00 H new ATOM 0 HB THR A 64 3.026 -8.234 2.563 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.274 -10.059 1.783 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.974 -10.450 2.301 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.831 -9.133 1.947 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.569 -10.053 0.614 1.00 0.00 H new ATOM 971 N VAL A 65 0.383 -6.611 0.077 1.00 0.00 N ATOM 972 CA VAL A 65 -0.897 -5.973 0.360 1.00 0.00 C ATOM 973 C VAL A 65 -1.985 -7.010 0.614 1.00 0.00 C ATOM 974 O VAL A 65 -2.301 -7.821 -0.258 1.00 0.00 O ATOM 975 CB VAL A 65 -1.336 -5.057 -0.798 1.00 0.00 C ATOM 976 CG1 VAL A 65 -2.689 -4.431 -0.500 1.00 0.00 C ATOM 977 CG2 VAL A 65 -0.288 -3.985 -1.055 1.00 0.00 C ATOM 0 H VAL A 65 0.514 -6.879 -0.899 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.758 -5.370 1.258 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.433 -5.661 -1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.983 -3.787 -1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.433 -5.217 -0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.623 -3.839 0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.614 -3.347 -1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.157 -3.382 -0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.659 -4.457 -1.317 1.00 0.00 H new ATOM 987 N THR A 66 -2.555 -6.980 1.814 1.00 0.00 N ATOM 988 CA THR A 66 -3.608 -7.918 2.183 1.00 0.00 C ATOM 989 C THR A 66 -4.980 -7.256 2.126 1.00 0.00 C ATOM 990 O THR A 66 -5.109 -6.054 2.352 1.00 0.00 O ATOM 991 CB THR A 66 -3.383 -8.487 3.597 1.00 0.00 C ATOM 992 OG1 THR A 66 -2.009 -8.852 3.766 1.00 0.00 O ATOM 993 CG2 THR A 66 -4.269 -9.699 3.840 1.00 0.00 C ATOM 0 H THR A 66 -2.305 -6.316 2.547 1.00 0.00 H new ATOM 0 HA THR A 66 -3.572 -8.734 1.461 1.00 0.00 H new ATOM 0 HB THR A 66 -3.644 -7.715 4.321 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.874 -9.211 4.668 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.092 -10.083 4.845 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.315 -9.411 3.740 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.035 -10.473 3.109 1.00 0.00 H new ATOM 1001 N GLY A 67 -6.003 -8.049 1.823 1.00 0.00 N ATOM 1002 CA GLY A 67 -7.352 -7.521 1.742 1.00 0.00 C ATOM 1003 C GLY A 67 -8.092 -8.007 0.512 1.00 0.00 C ATOM 1004 O GLY A 67 -7.487 -8.559 -0.409 1.00 0.00 O ATOM 0 H GLY A 67 -5.922 -9.048 1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.907 -7.811 2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.312 -6.432 1.732 1.00 0.00 H new ATOM 1008 N LEU A 68 -9.405 -7.804 0.494 1.00 0.00 N ATOM 1009 CA LEU A 68 -10.230 -8.227 -0.633 1.00 0.00 C ATOM 1010 C LEU A 68 -9.524 -7.954 -1.957 1.00 0.00 C ATOM 1011 O LEU A 68 -8.761 -6.998 -2.096 1.00 0.00 O ATOM 1012 CB LEU A 68 -11.578 -7.505 -0.602 1.00 0.00 C ATOM 1013 CG LEU A 68 -12.602 -8.038 0.400 1.00 0.00 C ATOM 1014 CD1 LEU A 68 -12.686 -9.555 0.323 1.00 0.00 C ATOM 1015 CD2 LEU A 68 -12.248 -7.594 1.812 1.00 0.00 C ATOM 0 H LEU A 68 -9.921 -7.349 1.247 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.398 -9.301 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.399 -6.452 -0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -12.016 -7.553 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 68 -13.579 -7.627 0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.420 -9.916 1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.987 -9.852 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.711 -9.985 0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.988 -7.983 2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.262 -7.976 2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.240 -6.505 1.860 1.00 0.00 H new ATOM 1027 N PRO A 69 -9.784 -8.812 -2.955 1.00 0.00 N ATOM 1028 CA PRO A 69 -9.186 -8.682 -4.286 1.00 0.00 C ATOM 1029 C PRO A 69 -9.726 -7.477 -5.050 1.00 0.00 C ATOM 1030 O PRO A 69 -9.161 -7.071 -6.064 1.00 0.00 O ATOM 1031 CB PRO A 69 -9.590 -9.983 -4.985 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.834 -10.416 -4.289 1.00 0.00 C ATOM 1033 CD PRO A 69 -10.684 -9.974 -2.859 1.00 0.00 C ATOM 0 HA PRO A 69 -8.108 -8.526 -4.235 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.767 -9.823 -6.049 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.807 -10.737 -4.902 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.714 -9.965 -4.747 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.960 -11.497 -4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.644 -9.704 -2.419 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.259 -10.762 -2.237 1.00 0.00 H new ATOM 1041 N GLU A 70 -10.822 -6.912 -4.555 1.00 0.00 N ATOM 1042 CA GLU A 70 -11.438 -5.753 -5.192 1.00 0.00 C ATOM 1043 C GLU A 70 -10.894 -4.455 -4.602 1.00 0.00 C ATOM 1044 O GLU A 70 -10.868 -3.421 -5.268 1.00 0.00 O ATOM 1045 CB GLU A 70 -12.958 -5.803 -5.030 1.00 0.00 C ATOM 1046 CG GLU A 70 -13.416 -5.833 -3.581 1.00 0.00 C ATOM 1047 CD GLU A 70 -14.926 -5.881 -3.447 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -15.552 -6.746 -4.093 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -15.480 -5.052 -2.695 1.00 0.00 O ATOM 0 H GLU A 70 -11.302 -7.237 -3.716 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.192 -5.780 -6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.396 -4.935 -5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.340 -6.686 -5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.983 -6.702 -3.085 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.037 -4.950 -3.066 1.00 0.00 H new ATOM 1056 N ASN A 71 -10.462 -4.518 -3.347 1.00 0.00 N ATOM 1057 CA ASN A 71 -9.920 -3.348 -2.666 1.00 0.00 C ATOM 1058 C ASN A 71 -8.414 -3.239 -2.886 1.00 0.00 C ATOM 1059 O ASN A 71 -7.873 -2.141 -3.022 1.00 0.00 O ATOM 1060 CB ASN A 71 -10.223 -3.417 -1.168 1.00 0.00 C ATOM 1061 CG ASN A 71 -11.705 -3.288 -0.872 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -12.461 -2.723 -1.663 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -12.128 -3.811 0.273 1.00 0.00 N ATOM 0 H ASN A 71 -10.477 -5.366 -2.781 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.396 -2.462 -3.086 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.856 -4.363 -0.769 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.682 -2.623 -0.654 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.114 -3.753 0.526 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.467 -4.270 0.899 1.00 0.00 H new ATOM 1070 N VAL A 72 -7.742 -4.385 -2.921 1.00 0.00 N ATOM 1071 CA VAL A 72 -6.299 -4.419 -3.127 1.00 0.00 C ATOM 1072 C VAL A 72 -5.917 -3.764 -4.449 1.00 0.00 C ATOM 1073 O VAL A 72 -5.097 -2.846 -4.483 1.00 0.00 O ATOM 1074 CB VAL A 72 -5.764 -5.864 -3.109 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -4.348 -5.916 -3.663 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -5.815 -6.433 -1.699 1.00 0.00 C ATOM 0 H VAL A 72 -8.174 -5.302 -2.809 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.848 -3.862 -2.306 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.401 -6.477 -3.747 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.987 -6.944 -3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.345 -5.551 -4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.696 -5.290 -3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.434 -7.454 -1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.203 -5.821 -1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.845 -6.433 -1.344 1.00 0.00 H new ATOM 1086 N GLU A 73 -6.516 -4.241 -5.535 1.00 0.00 N ATOM 1087 CA GLU A 73 -6.237 -3.700 -6.860 1.00 0.00 C ATOM 1088 C GLU A 73 -6.282 -2.175 -6.846 1.00 0.00 C ATOM 1089 O GLU A 73 -5.421 -1.514 -7.425 1.00 0.00 O ATOM 1090 CB GLU A 73 -7.243 -4.241 -7.878 1.00 0.00 C ATOM 1091 CG GLU A 73 -8.677 -3.824 -7.598 1.00 0.00 C ATOM 1092 CD GLU A 73 -9.669 -4.479 -8.539 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -9.311 -5.498 -9.166 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -10.806 -3.972 -8.648 1.00 0.00 O ATOM 0 H GLU A 73 -7.197 -5.000 -5.524 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.234 -4.014 -7.148 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.961 -3.896 -8.873 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.186 -5.329 -7.889 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.932 -4.082 -6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.760 -2.741 -7.685 1.00 0.00 H new ATOM 1101 N GLU A 74 -7.292 -1.625 -6.180 1.00 0.00 N ATOM 1102 CA GLU A 74 -7.450 -0.178 -6.092 1.00 0.00 C ATOM 1103 C GLU A 74 -6.303 0.448 -5.304 1.00 0.00 C ATOM 1104 O GLU A 74 -5.647 1.377 -5.774 1.00 0.00 O ATOM 1105 CB GLU A 74 -8.786 0.173 -5.433 1.00 0.00 C ATOM 1106 CG GLU A 74 -9.996 -0.235 -6.257 1.00 0.00 C ATOM 1107 CD GLU A 74 -9.904 0.228 -7.698 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -10.030 1.448 -7.938 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -9.706 -0.627 -8.585 1.00 0.00 O ATOM 0 H GLU A 74 -8.013 -2.159 -5.694 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.435 0.225 -7.105 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.840 -0.313 -4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.823 1.248 -5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.097 -1.320 -6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.896 0.179 -5.803 1.00 0.00 H new ATOM 1116 N ALA A 75 -6.067 -0.069 -4.102 1.00 0.00 N ATOM 1117 CA ALA A 75 -4.999 0.437 -3.249 1.00 0.00 C ATOM 1118 C ALA A 75 -3.693 0.569 -4.025 1.00 0.00 C ATOM 1119 O ALA A 75 -3.009 1.589 -3.938 1.00 0.00 O ATOM 1120 CB ALA A 75 -4.810 -0.473 -2.045 1.00 0.00 C ATOM 0 H ALA A 75 -6.601 -0.838 -3.697 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.285 1.429 -2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.009 -0.083 -1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.735 -0.513 -1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.550 -1.476 -2.384 1.00 0.00 H new ATOM 1126 N ILE A 76 -3.353 -0.469 -4.783 1.00 0.00 N ATOM 1127 CA ILE A 76 -2.129 -0.468 -5.574 1.00 0.00 C ATOM 1128 C ILE A 76 -2.037 0.782 -6.443 1.00 0.00 C ATOM 1129 O ILE A 76 -1.062 1.531 -6.371 1.00 0.00 O ATOM 1130 CB ILE A 76 -2.039 -1.714 -6.474 1.00 0.00 C ATOM 1131 CG1 ILE A 76 -2.028 -2.985 -5.623 1.00 0.00 C ATOM 1132 CG2 ILE A 76 -0.797 -1.646 -7.351 1.00 0.00 C ATOM 1133 CD1 ILE A 76 -2.306 -4.244 -6.415 1.00 0.00 C ATOM 0 H ILE A 76 -3.908 -1.321 -4.866 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.298 -0.479 -4.869 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.916 -1.740 -7.121 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.057 -3.078 -5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.773 -2.890 -4.833 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.748 -2.534 -7.981 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.844 -0.757 -7.980 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.091 -1.599 -6.721 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.283 -5.106 -5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.289 -4.172 -6.880 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.547 -4.363 -7.188 1.00 0.00 H new ATOM 1145 N ASP A 77 -3.059 1.002 -7.263 1.00 0.00 N ATOM 1146 CA ASP A 77 -3.095 2.163 -8.145 1.00 0.00 C ATOM 1147 C ASP A 77 -2.621 3.415 -7.414 1.00 0.00 C ATOM 1148 O ASP A 77 -1.880 4.227 -7.969 1.00 0.00 O ATOM 1149 CB ASP A 77 -4.511 2.376 -8.683 1.00 0.00 C ATOM 1150 CG ASP A 77 -4.534 3.255 -9.918 1.00 0.00 C ATOM 1151 OD1 ASP A 77 -4.053 2.803 -10.978 1.00 0.00 O ATOM 1152 OD2 ASP A 77 -5.034 4.396 -9.824 1.00 0.00 O ATOM 0 H ASP A 77 -3.873 0.392 -7.335 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.421 1.976 -8.981 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.956 1.410 -8.920 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.127 2.829 -7.906 1.00 0.00 H new ATOM 1157 N HIS A 78 -3.054 3.566 -6.166 1.00 0.00 N ATOM 1158 CA HIS A 78 -2.674 4.720 -5.360 1.00 0.00 C ATOM 1159 C HIS A 78 -1.189 4.674 -5.010 1.00 0.00 C ATOM 1160 O HIS A 78 -0.488 5.682 -5.102 1.00 0.00 O ATOM 1161 CB HIS A 78 -3.509 4.772 -4.080 1.00 0.00 C ATOM 1162 CG HIS A 78 -3.203 5.954 -3.212 1.00 0.00 C ATOM 1163 ND1 HIS A 78 -4.160 6.860 -2.808 1.00 0.00 N ATOM 1164 CD2 HIS A 78 -2.036 6.374 -2.669 1.00 0.00 C ATOM 1165 CE1 HIS A 78 -3.596 7.787 -2.056 1.00 0.00 C ATOM 1166 NE2 HIS A 78 -2.307 7.516 -1.955 1.00 0.00 N ATOM 0 H HIS A 78 -3.668 2.904 -5.692 1.00 0.00 H new ATOM 0 HA HIS A 78 -2.864 5.619 -5.946 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -4.566 4.791 -4.346 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -3.341 3.859 -3.509 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -5.150 6.820 -3.052 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.072 5.900 -2.777 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -4.103 8.625 -1.601 1.00 0.00 H new ATOM 1174 N ILE A 79 -0.717 3.498 -4.608 1.00 0.00 N ATOM 1175 CA ILE A 79 0.683 3.321 -4.246 1.00 0.00 C ATOM 1176 C ILE A 79 1.602 3.700 -5.402 1.00 0.00 C ATOM 1177 O ILE A 79 2.427 4.606 -5.283 1.00 0.00 O ATOM 1178 CB ILE A 79 0.977 1.869 -3.825 1.00 0.00 C ATOM 1179 CG1 ILE A 79 0.055 1.451 -2.678 1.00 0.00 C ATOM 1180 CG2 ILE A 79 2.436 1.719 -3.421 1.00 0.00 C ATOM 1181 CD1 ILE A 79 0.145 -0.020 -2.335 1.00 0.00 C ATOM 0 H ILE A 79 -1.284 2.654 -4.525 1.00 0.00 H new ATOM 0 HA ILE A 79 0.876 3.981 -3.400 1.00 0.00 H new ATOM 0 HB ILE A 79 0.787 1.214 -4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.301 2.038 -1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.974 1.691 -2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.628 0.687 -3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.076 1.980 -4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.651 2.382 -2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.536 -0.244 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.130 -0.614 -3.206 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.165 -0.262 -2.037 1.00 0.00 H new ATOM 1193 N LEU A 80 1.454 3.000 -6.522 1.00 0.00 N ATOM 1194 CA LEU A 80 2.270 3.264 -7.702 1.00 0.00 C ATOM 1195 C LEU A 80 2.158 4.725 -8.126 1.00 0.00 C ATOM 1196 O LEU A 80 3.141 5.337 -8.542 1.00 0.00 O ATOM 1197 CB LEU A 80 1.844 2.352 -8.854 1.00 0.00 C ATOM 1198 CG LEU A 80 2.552 1.000 -8.938 1.00 0.00 C ATOM 1199 CD1 LEU A 80 1.761 0.036 -9.808 1.00 0.00 C ATOM 1200 CD2 LEU A 80 3.965 1.171 -9.476 1.00 0.00 C ATOM 0 H LEU A 80 0.777 2.246 -6.637 1.00 0.00 H new ATOM 0 HA LEU A 80 3.310 3.058 -7.449 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.772 2.173 -8.772 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.008 2.884 -9.791 1.00 0.00 H new ATOM 0 HG LEU A 80 2.615 0.581 -7.934 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.281 -0.921 -9.856 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.769 -0.111 -9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.665 0.448 -10.813 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.454 0.198 -9.529 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.924 1.612 -10.472 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.530 1.826 -8.813 1.00 0.00 H new ATOM 1212 N ASN A 81 0.955 5.277 -8.016 1.00 0.00 N ATOM 1213 CA ASN A 81 0.715 6.667 -8.386 1.00 0.00 C ATOM 1214 C ASN A 81 1.707 7.595 -7.690 1.00 0.00 C ATOM 1215 O ASN A 81 2.304 8.469 -8.321 1.00 0.00 O ATOM 1216 CB ASN A 81 -0.716 7.073 -8.028 1.00 0.00 C ATOM 1217 CG ASN A 81 -0.885 8.577 -7.934 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -0.107 9.337 -8.511 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -1.904 9.013 -7.204 1.00 0.00 N ATOM 0 H ASN A 81 0.131 4.783 -7.674 1.00 0.00 H new ATOM 0 HA ASN A 81 0.853 6.758 -9.463 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.401 6.680 -8.779 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.992 6.619 -7.076 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.068 10.015 -7.104 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.524 8.346 -6.743 1.00 0.00 H new ATOM 1226 N LEU A 82 1.879 7.398 -6.388 1.00 0.00 N ATOM 1227 CA LEU A 82 2.799 8.215 -5.605 1.00 0.00 C ATOM 1228 C LEU A 82 4.247 7.907 -5.972 1.00 0.00 C ATOM 1229 O LEU A 82 5.039 8.814 -6.226 1.00 0.00 O ATOM 1230 CB LEU A 82 2.578 7.979 -4.111 1.00 0.00 C ATOM 1231 CG LEU A 82 1.135 8.098 -3.619 1.00 0.00 C ATOM 1232 CD1 LEU A 82 1.028 7.659 -2.166 1.00 0.00 C ATOM 1233 CD2 LEU A 82 0.630 9.524 -3.786 1.00 0.00 C ATOM 0 H LEU A 82 1.393 6.679 -5.852 1.00 0.00 H new ATOM 0 HA LEU A 82 2.600 9.262 -5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.944 6.983 -3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.190 8.691 -3.557 1.00 0.00 H new ATOM 0 HG LEU A 82 0.510 7.440 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.006 7.751 -1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.348 6.621 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.665 8.291 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.398 9.590 -3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.258 10.202 -3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.669 9.803 -4.839 1.00 0.00 H new ATOM 1245 N GLU A 83 4.585 6.622 -5.999 1.00 0.00 N ATOM 1246 CA GLU A 83 5.938 6.195 -6.336 1.00 0.00 C ATOM 1247 C GLU A 83 6.500 7.026 -7.485 1.00 0.00 C ATOM 1248 O GLU A 83 7.677 7.385 -7.487 1.00 0.00 O ATOM 1249 CB GLU A 83 5.950 4.711 -6.712 1.00 0.00 C ATOM 1250 CG GLU A 83 7.311 4.208 -7.161 1.00 0.00 C ATOM 1251 CD GLU A 83 7.523 4.353 -8.655 1.00 0.00 C ATOM 1252 OE1 GLU A 83 6.804 5.161 -9.280 1.00 0.00 O ATOM 1253 OE2 GLU A 83 8.406 3.659 -9.200 1.00 0.00 O ATOM 0 H GLU A 83 3.941 5.859 -5.792 1.00 0.00 H new ATOM 0 HA GLU A 83 6.568 6.345 -5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.620 4.125 -5.854 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.228 4.541 -7.511 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.090 4.758 -6.632 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.416 3.159 -6.883 1.00 0.00 H new ATOM 1260 N GLU A 84 5.650 7.328 -8.461 1.00 0.00 N ATOM 1261 CA GLU A 84 6.062 8.116 -9.617 1.00 0.00 C ATOM 1262 C GLU A 84 6.277 9.577 -9.231 1.00 0.00 C ATOM 1263 O GLU A 84 7.275 10.188 -9.608 1.00 0.00 O ATOM 1264 CB GLU A 84 5.015 8.019 -10.728 1.00 0.00 C ATOM 1265 CG GLU A 84 5.552 8.379 -12.103 1.00 0.00 C ATOM 1266 CD GLU A 84 4.466 8.419 -13.161 1.00 0.00 C ATOM 1267 OE1 GLU A 84 3.433 9.080 -12.926 1.00 0.00 O ATOM 1268 OE2 GLU A 84 4.650 7.790 -14.224 1.00 0.00 O ATOM 0 H GLU A 84 4.672 7.039 -8.474 1.00 0.00 H new ATOM 0 HA GLU A 84 7.006 7.712 -9.982 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.620 7.003 -10.756 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.181 8.679 -10.489 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.043 9.351 -12.054 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.311 7.653 -12.394 1.00 0.00 H new ATOM 1275 N GLU A 85 5.331 10.129 -8.477 1.00 0.00 N ATOM 1276 CA GLU A 85 5.415 11.518 -8.042 1.00 0.00 C ATOM 1277 C GLU A 85 6.701 11.764 -7.257 1.00 0.00 C ATOM 1278 O GLU A 85 7.463 12.680 -7.566 1.00 0.00 O ATOM 1279 CB GLU A 85 4.203 11.881 -7.182 1.00 0.00 C ATOM 1280 CG GLU A 85 4.273 13.279 -6.591 1.00 0.00 C ATOM 1281 CD GLU A 85 4.308 14.360 -7.653 1.00 0.00 C ATOM 1282 OE1 GLU A 85 3.518 14.274 -8.616 1.00 0.00 O ATOM 1283 OE2 GLU A 85 5.127 15.294 -7.520 1.00 0.00 O ATOM 0 H GLU A 85 4.498 9.636 -8.155 1.00 0.00 H new ATOM 0 HA GLU A 85 5.424 12.150 -8.930 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.300 11.796 -7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.113 11.157 -6.372 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.411 13.439 -5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.162 13.361 -5.965 1.00 0.00 H new ATOM 1290 N TYR A 86 6.934 10.941 -6.241 1.00 0.00 N ATOM 1291 CA TYR A 86 8.125 11.071 -5.410 1.00 0.00 C ATOM 1292 C TYR A 86 9.392 10.950 -6.251 1.00 0.00 C ATOM 1293 O TYR A 86 10.252 11.831 -6.230 1.00 0.00 O ATOM 1294 CB TYR A 86 8.124 10.007 -4.311 1.00 0.00 C ATOM 1295 CG TYR A 86 7.009 10.177 -3.304 1.00 0.00 C ATOM 1296 CD1 TYR A 86 6.815 11.387 -2.650 1.00 0.00 C ATOM 1297 CD2 TYR A 86 6.149 9.126 -3.008 1.00 0.00 C ATOM 1298 CE1 TYR A 86 5.798 11.546 -1.729 1.00 0.00 C ATOM 1299 CE2 TYR A 86 5.128 9.277 -2.089 1.00 0.00 C ATOM 1300 CZ TYR A 86 4.957 10.489 -1.452 1.00 0.00 C ATOM 1301 OH TYR A 86 3.942 10.643 -0.536 1.00 0.00 O ATOM 0 H TYR A 86 6.314 10.177 -5.973 1.00 0.00 H new ATOM 0 HA TYR A 86 8.110 12.059 -4.950 1.00 0.00 H new ATOM 0 HB2 TYR A 86 8.040 9.022 -4.771 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.081 10.035 -3.789 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.471 12.218 -2.865 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.281 8.176 -3.504 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.662 12.493 -1.228 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.468 8.451 -1.871 1.00 0.00 H new ATOM 0 HH TYR A 86 4.245 10.332 0.343 1.00 0.00 H new ATOM 1311 N LEU A 87 9.500 9.852 -6.991 1.00 0.00 N ATOM 1312 CA LEU A 87 10.661 9.613 -7.841 1.00 0.00 C ATOM 1313 C LEU A 87 10.955 10.827 -8.715 1.00 0.00 C ATOM 1314 O LEU A 87 12.088 11.303 -8.774 1.00 0.00 O ATOM 1315 CB LEU A 87 10.431 8.381 -8.718 1.00 0.00 C ATOM 1316 CG LEU A 87 10.740 7.030 -8.073 1.00 0.00 C ATOM 1317 CD1 LEU A 87 10.306 5.892 -8.984 1.00 0.00 C ATOM 1318 CD2 LEU A 87 12.223 6.920 -7.749 1.00 0.00 C ATOM 0 H LEU A 87 8.797 9.113 -7.020 1.00 0.00 H new ATOM 0 HA LEU A 87 11.522 9.436 -7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.389 8.378 -9.039 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.041 8.480 -9.616 1.00 0.00 H new ATOM 0 HG LEU A 87 10.179 6.957 -7.141 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.534 4.938 -8.508 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.233 5.960 -9.165 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.839 5.961 -9.932 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.424 5.952 -7.290 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.804 7.015 -8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.504 7.714 -7.058 1.00 0.00 H new ATOM 1330 N ALA A 88 9.925 11.325 -9.393 1.00 0.00 N ATOM 1331 CA ALA A 88 10.072 12.486 -10.261 1.00 0.00 C ATOM 1332 C ALA A 88 10.903 13.573 -9.588 1.00 0.00 C ATOM 1333 O ALA A 88 11.665 14.282 -10.247 1.00 0.00 O ATOM 1334 CB ALA A 88 8.705 13.030 -10.651 1.00 0.00 C ATOM 0 H ALA A 88 8.980 10.942 -9.357 1.00 0.00 H new ATOM 0 HA ALA A 88 10.596 12.170 -11.163 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.830 13.897 -11.299 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.144 12.259 -11.180 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.161 13.324 -9.753 1.00 0.00 H new