USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 685 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 11 SER OG : rot -22:sc= -0.386 USER MOD Set 1.2: A 42 HIS : no HD1:sc= -1.72! K(o=-2.1!,f=-1.2) USER MOD Single : A 15 LYS NZ :NH3+ 173:sc= 0.406 (180deg=0.304) USER MOD Single : A 18 SER OG : rot -176:sc= -1.05 USER MOD Single : A 21 SER OG : rot 180:sc= 0.00961 USER MOD Single : A 24 SER OG : rot 130:sc= -0.843 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00159) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-2) USER MOD Single : A 38 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.00134) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.292 K(o=-0.29,f=-1.3!) USER MOD Single : A 63 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.67) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 88:sc= 0.87 USER MOD Single : A 67 LYS NZ :NH3+ -116:sc= -0.211 (180deg=-0.967) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -128:sc= 0.28 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -118:sc= -0.257 (180deg=-0.471) USER MOD Single : A 91 THR OG1 : rot -74:sc= -0.366 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.576 X(o=-0.58,f=-0.13) USER MOD Single : A 95 SER OG : rot -26:sc= 0.819 USER MOD Single : A 96 SER OG : rot -60:sc= -1.88 USER MOD Single : A 101 LYS NZ :NH3+ -153:sc= 1.22 (180deg=0.336) USER MOD Single : A 104 HIS : no HD1:sc= -0.044 X(o=-0.044,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 11 -11.207 8.309 -6.002 1.00 0.00 N ATOM 183 CA SER A 11 -11.681 6.932 -6.068 1.00 0.00 C ATOM 184 C SER A 11 -13.198 6.889 -5.903 1.00 0.00 C ATOM 185 O SER A 11 -13.732 7.246 -4.854 1.00 0.00 O ATOM 186 CB SER A 11 -11.035 6.094 -4.967 1.00 0.00 C ATOM 187 OG SER A 11 -10.765 6.923 -3.844 1.00 0.00 O ATOM 0 HA SER A 11 -11.408 6.523 -7.041 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.697 5.277 -4.680 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.112 5.643 -5.331 1.00 0.00 H new ATOM 0 HG SER A 11 -10.721 7.859 -4.131 1.00 0.00 H new ATOM 193 N ASP A 12 -13.883 6.454 -6.956 1.00 0.00 N ATOM 194 CA ASP A 12 -15.343 6.377 -6.924 1.00 0.00 C ATOM 195 C ASP A 12 -15.814 5.375 -5.869 1.00 0.00 C ATOM 196 O ASP A 12 -16.696 5.673 -5.065 1.00 0.00 O ATOM 197 CB ASP A 12 -15.901 5.968 -8.295 1.00 0.00 C ATOM 198 CG ASP A 12 -15.139 4.761 -8.836 1.00 0.00 C ATOM 199 OD1 ASP A 12 -14.015 4.945 -9.275 1.00 0.00 O ATOM 200 OD2 ASP A 12 -15.690 3.674 -8.802 1.00 0.00 O ATOM 0 H ASP A 12 -13.459 6.152 -7.833 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.716 7.368 -6.667 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -16.961 5.729 -8.208 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -15.819 6.802 -8.993 1.00 0.00 H new ATOM 205 N ALA A 13 -15.226 4.180 -5.886 1.00 0.00 N ATOM 206 CA ALA A 13 -15.610 3.142 -4.928 1.00 0.00 C ATOM 207 C ALA A 13 -14.428 2.715 -4.053 1.00 0.00 C ATOM 208 O ALA A 13 -14.618 2.188 -2.957 1.00 0.00 O ATOM 209 CB ALA A 13 -16.147 1.914 -5.664 1.00 0.00 C ATOM 0 H ALA A 13 -14.493 3.908 -6.541 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.384 3.565 -4.288 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -16.429 1.150 -4.939 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -17.020 2.196 -6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.375 1.520 -6.325 1.00 0.00 H new ATOM 215 N CYS A 14 -13.209 2.938 -4.540 1.00 0.00 N ATOM 216 CA CYS A 14 -12.022 2.558 -3.778 1.00 0.00 C ATOM 217 C CYS A 14 -11.832 3.460 -2.554 1.00 0.00 C ATOM 218 O CYS A 14 -11.062 3.133 -1.650 1.00 0.00 O ATOM 219 CB CYS A 14 -10.772 2.634 -4.659 1.00 0.00 C ATOM 220 SG CYS A 14 -10.990 1.568 -6.105 1.00 0.00 S ATOM 0 H CYS A 14 -13.019 3.372 -5.443 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.168 1.533 -3.438 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.598 3.663 -4.975 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.895 2.322 -4.092 1.00 0.00 H new ATOM 225 N LYS A 15 -12.532 4.599 -2.522 1.00 0.00 N ATOM 226 CA LYS A 15 -12.408 5.514 -1.389 1.00 0.00 C ATOM 227 C LYS A 15 -13.129 4.960 -0.147 1.00 0.00 C ATOM 228 O LYS A 15 -12.875 5.399 0.975 1.00 0.00 O ATOM 229 CB LYS A 15 -12.928 6.929 -1.769 1.00 0.00 C ATOM 230 CG LYS A 15 -14.432 7.120 -1.477 1.00 0.00 C ATOM 231 CD LYS A 15 -15.268 6.191 -2.361 1.00 0.00 C ATOM 232 CE LYS A 15 -16.704 6.148 -1.833 1.00 0.00 C ATOM 233 NZ LYS A 15 -17.442 4.963 -2.351 1.00 0.00 N ATOM 0 H LYS A 15 -13.176 4.903 -3.252 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.352 5.604 -1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.359 7.678 -1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.745 7.104 -2.829 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.634 6.912 -0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.715 8.157 -1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.258 6.545 -3.392 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.839 5.189 -2.363 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.691 6.122 -0.743 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.227 7.059 -2.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.369 4.899 -1.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.578 5.060 -3.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.895 4.100 -2.155 1.00 0.00 H new ATOM 247 N ALA A 16 -14.030 3.998 -0.359 1.00 0.00 N ATOM 248 CA ALA A 16 -14.774 3.406 0.748 1.00 0.00 C ATOM 249 C ALA A 16 -13.819 2.744 1.740 1.00 0.00 C ATOM 250 O ALA A 16 -13.644 3.215 2.863 1.00 0.00 O ATOM 251 CB ALA A 16 -15.770 2.367 0.223 1.00 0.00 C ATOM 0 H ALA A 16 -14.258 3.618 -1.277 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.320 4.201 1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.318 1.933 1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.471 2.847 -0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.231 1.580 -0.304 1.00 0.00 H new ATOM 257 N GLU A 17 -13.200 1.650 1.307 1.00 0.00 N ATOM 258 CA GLU A 17 -12.257 0.934 2.162 1.00 0.00 C ATOM 259 C GLU A 17 -10.876 1.570 2.065 1.00 0.00 C ATOM 260 O GLU A 17 -10.279 1.954 3.070 1.00 0.00 O ATOM 261 CB GLU A 17 -12.161 -0.535 1.745 1.00 0.00 C ATOM 262 CG GLU A 17 -11.319 -1.304 2.768 1.00 0.00 C ATOM 263 CD GLU A 17 -11.718 -2.776 2.753 1.00 0.00 C ATOM 264 OE1 GLU A 17 -11.166 -3.511 1.952 1.00 0.00 O ATOM 265 OE2 GLU A 17 -12.572 -3.147 3.543 1.00 0.00 O ATOM 0 H GLU A 17 -13.331 1.243 0.381 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.618 0.992 3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.158 -0.971 1.678 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.711 -0.614 0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.260 -1.201 2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.467 -0.886 3.764 1.00 0.00 H new ATOM 272 N SER A 18 -10.377 1.678 0.837 1.00 0.00 N ATOM 273 CA SER A 18 -9.063 2.272 0.608 1.00 0.00 C ATOM 274 C SER A 18 -9.145 3.793 0.725 1.00 0.00 C ATOM 275 O SER A 18 -8.980 4.522 -0.255 1.00 0.00 O ATOM 276 CB SER A 18 -8.540 1.894 -0.780 1.00 0.00 C ATOM 277 OG SER A 18 -9.124 0.662 -1.185 1.00 0.00 O ATOM 0 H SER A 18 -10.857 1.366 -0.007 1.00 0.00 H new ATOM 0 HA SER A 18 -8.377 1.889 1.363 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.782 2.678 -1.498 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.454 1.805 -0.760 1.00 0.00 H new ATOM 0 HG SER A 18 -8.744 0.387 -2.045 1.00 0.00 H new ATOM 283 N GLY A 19 -9.406 4.264 1.941 1.00 0.00 N ATOM 284 CA GLY A 19 -9.512 5.696 2.185 1.00 0.00 C ATOM 285 C GLY A 19 -8.189 6.258 2.692 1.00 0.00 C ATOM 286 O GLY A 19 -8.154 7.037 3.645 1.00 0.00 O ATOM 0 H GLY A 19 -9.547 3.680 2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.800 6.206 1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.298 5.888 2.916 1.00 0.00 H new ATOM 290 N VAL A 20 -7.098 5.854 2.044 1.00 0.00 N ATOM 291 CA VAL A 20 -5.770 6.321 2.436 1.00 0.00 C ATOM 292 C VAL A 20 -5.692 7.848 2.333 1.00 0.00 C ATOM 293 O VAL A 20 -6.147 8.442 1.355 1.00 0.00 O ATOM 294 CB VAL A 20 -4.696 5.673 1.545 1.00 0.00 C ATOM 295 CG1 VAL A 20 -4.881 6.112 0.087 1.00 0.00 C ATOM 296 CG2 VAL A 20 -3.301 6.084 2.034 1.00 0.00 C ATOM 0 H VAL A 20 -7.106 5.211 1.253 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.589 6.032 3.471 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.797 4.589 1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.115 5.647 -0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.867 5.805 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.793 7.196 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.543 5.623 1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.204 7.169 1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.164 5.753 3.063 1.00 0.00 H new ATOM 306 N SER A 21 -5.116 8.472 3.356 1.00 0.00 N ATOM 307 CA SER A 21 -4.989 9.926 3.375 1.00 0.00 C ATOM 308 C SER A 21 -3.590 10.353 2.938 1.00 0.00 C ATOM 309 O SER A 21 -3.066 11.371 3.391 1.00 0.00 O ATOM 310 CB SER A 21 -5.256 10.468 4.780 1.00 0.00 C ATOM 311 OG SER A 21 -4.518 9.705 5.725 1.00 0.00 O ATOM 0 H SER A 21 -4.733 8.000 4.175 1.00 0.00 H new ATOM 0 HA SER A 21 -5.724 10.332 2.680 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.968 11.518 4.838 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.321 10.417 5.006 1.00 0.00 H new ATOM 0 HG SER A 21 -4.685 10.051 6.627 1.00 0.00 H new ATOM 317 N GLU A 22 -2.992 9.565 2.048 1.00 0.00 N ATOM 318 CA GLU A 22 -1.651 9.869 1.550 1.00 0.00 C ATOM 319 C GLU A 22 -0.647 9.929 2.699 1.00 0.00 C ATOM 320 O GLU A 22 0.335 10.670 2.644 1.00 0.00 O ATOM 321 CB GLU A 22 -1.648 11.211 0.815 1.00 0.00 C ATOM 322 CG GLU A 22 -2.576 11.132 -0.398 1.00 0.00 C ATOM 323 CD GLU A 22 -1.882 10.371 -1.522 1.00 0.00 C ATOM 324 OE1 GLU A 22 -0.890 10.871 -2.025 1.00 0.00 O ATOM 325 OE2 GLU A 22 -2.353 9.298 -1.863 1.00 0.00 O ATOM 0 H GLU A 22 -3.409 8.719 1.659 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.362 9.074 0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.976 12.005 1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.636 11.460 0.496 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.505 10.632 -0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.840 12.135 -0.733 1.00 0.00 H new ATOM 332 N GLU A 23 -0.903 9.141 3.739 1.00 0.00 N ATOM 333 CA GLU A 23 -0.014 9.112 4.896 1.00 0.00 C ATOM 334 C GLU A 23 1.065 8.050 4.710 1.00 0.00 C ATOM 335 O GLU A 23 2.259 8.345 4.740 1.00 0.00 O ATOM 336 CB GLU A 23 -0.802 8.804 6.171 1.00 0.00 C ATOM 337 CG GLU A 23 -0.030 9.323 7.386 1.00 0.00 C ATOM 338 CD GLU A 23 -1.014 9.809 8.445 1.00 0.00 C ATOM 339 OE1 GLU A 23 -2.060 9.196 8.580 1.00 0.00 O ATOM 340 OE2 GLU A 23 -0.708 10.789 9.104 1.00 0.00 O ATOM 0 H GLU A 23 -1.710 8.520 3.805 1.00 0.00 H new ATOM 0 HA GLU A 23 0.452 10.093 4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.786 9.271 6.125 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.963 7.730 6.261 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.599 8.533 7.795 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.632 10.136 7.089 1.00 0.00 H new ATOM 347 N SER A 24 0.629 6.809 4.516 1.00 0.00 N ATOM 348 CA SER A 24 1.564 5.704 4.324 1.00 0.00 C ATOM 349 C SER A 24 2.260 5.826 2.973 1.00 0.00 C ATOM 350 O SER A 24 3.424 5.455 2.821 1.00 0.00 O ATOM 351 CB SER A 24 0.831 4.364 4.387 1.00 0.00 C ATOM 352 OG SER A 24 -0.136 4.405 5.427 1.00 0.00 O ATOM 0 H SER A 24 -0.356 6.544 4.488 1.00 0.00 H new ATOM 0 HA SER A 24 2.306 5.748 5.122 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.347 4.156 3.433 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.541 3.556 4.567 1.00 0.00 H new ATOM 0 HG SER A 24 -1.001 4.100 5.082 1.00 0.00 H new ATOM 358 N LEU A 25 1.532 6.353 1.991 1.00 0.00 N ATOM 359 CA LEU A 25 2.085 6.522 0.650 1.00 0.00 C ATOM 360 C LEU A 25 3.287 7.461 0.681 1.00 0.00 C ATOM 361 O LEU A 25 4.241 7.297 -0.080 1.00 0.00 O ATOM 362 CB LEU A 25 1.028 7.095 -0.296 1.00 0.00 C ATOM 363 CG LEU A 25 0.033 6.080 -0.860 1.00 0.00 C ATOM 364 CD1 LEU A 25 -1.284 6.784 -1.194 1.00 0.00 C ATOM 365 CD2 LEU A 25 0.611 5.452 -2.131 1.00 0.00 C ATOM 0 H LEU A 25 0.567 6.667 2.097 1.00 0.00 H new ATOM 0 HA LEU A 25 2.401 5.542 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.471 7.868 0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.536 7.582 -1.129 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.150 5.302 -0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.992 6.059 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.697 7.232 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.103 7.563 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.098 4.728 -2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.794 6.231 -2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.549 4.949 -1.894 1.00 0.00 H new ATOM 377 N ASN A 26 3.232 8.446 1.574 1.00 0.00 N ATOM 378 CA ASN A 26 4.323 9.408 1.700 1.00 0.00 C ATOM 379 C ASN A 26 5.594 8.713 2.179 1.00 0.00 C ATOM 380 O ASN A 26 6.686 8.960 1.668 1.00 0.00 O ATOM 381 CB ASN A 26 3.954 10.510 2.695 1.00 0.00 C ATOM 382 CG ASN A 26 4.806 11.745 2.426 1.00 0.00 C ATOM 383 OD1 ASN A 26 5.917 11.865 2.944 1.00 0.00 O ATOM 384 ND2 ASN A 26 4.350 12.680 1.640 1.00 0.00 N ATOM 0 H ASN A 26 2.453 8.598 2.214 1.00 0.00 H new ATOM 0 HA ASN A 26 4.497 9.849 0.718 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.897 10.758 2.604 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.113 10.161 3.715 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.913 13.510 1.455 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.430 12.582 1.211 1.00 0.00 H new ATOM 391 N LYS A 27 5.436 7.837 3.169 1.00 0.00 N ATOM 392 CA LYS A 27 6.576 7.104 3.717 1.00 0.00 C ATOM 393 C LYS A 27 7.250 6.259 2.635 1.00 0.00 C ATOM 394 O LYS A 27 8.441 5.960 2.717 1.00 0.00 O ATOM 395 CB LYS A 27 6.123 6.188 4.856 1.00 0.00 C ATOM 396 CG LYS A 27 6.137 6.967 6.173 1.00 0.00 C ATOM 397 CD LYS A 27 5.394 6.170 7.247 1.00 0.00 C ATOM 398 CE LYS A 27 3.916 6.568 7.249 1.00 0.00 C ATOM 399 NZ LYS A 27 3.679 7.771 8.098 1.00 0.00 N ATOM 0 H LYS A 27 4.540 7.619 3.605 1.00 0.00 H new ATOM 0 HA LYS A 27 7.290 7.835 4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.121 5.809 4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.783 5.323 4.926 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.164 7.151 6.488 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.666 7.940 6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.493 5.102 7.056 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.834 6.361 8.226 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.591 6.771 6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.314 5.737 7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.659 7.965 8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.045 7.598 9.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.168 8.590 7.684 1.00 0.00 H new ATOM 413 N VAL A 28 6.475 5.875 1.620 1.00 0.00 N ATOM 414 CA VAL A 28 7.010 5.064 0.527 1.00 0.00 C ATOM 415 C VAL A 28 8.155 5.790 -0.177 1.00 0.00 C ATOM 416 O VAL A 28 9.069 5.162 -0.712 1.00 0.00 O ATOM 417 CB VAL A 28 5.914 4.752 -0.495 1.00 0.00 C ATOM 418 CG1 VAL A 28 6.444 3.760 -1.533 1.00 0.00 C ATOM 419 CG2 VAL A 28 4.710 4.134 0.221 1.00 0.00 C ATOM 0 H VAL A 28 5.486 6.109 1.532 1.00 0.00 H new ATOM 0 HA VAL A 28 7.384 4.134 0.956 1.00 0.00 H new ATOM 0 HB VAL A 28 5.614 5.674 -0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.661 3.540 -2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.303 4.194 -2.045 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.746 2.839 -1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.929 3.912 -0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.016 3.213 0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.327 4.836 0.961 1.00 0.00 H new ATOM 429 N ARG A 29 8.098 7.122 -0.173 1.00 0.00 N ATOM 430 CA ARG A 29 9.137 7.926 -0.818 1.00 0.00 C ATOM 431 C ARG A 29 10.511 7.602 -0.233 1.00 0.00 C ATOM 432 O ARG A 29 11.528 7.679 -0.922 1.00 0.00 O ATOM 433 CB ARG A 29 8.856 9.419 -0.631 1.00 0.00 C ATOM 434 CG ARG A 29 7.537 9.789 -1.324 1.00 0.00 C ATOM 435 CD ARG A 29 7.711 11.095 -2.104 1.00 0.00 C ATOM 436 NE ARG A 29 8.279 10.835 -3.423 1.00 0.00 N ATOM 437 CZ ARG A 29 8.374 11.802 -4.331 1.00 0.00 C ATOM 438 NH1 ARG A 29 7.379 12.037 -5.142 1.00 0.00 N ATOM 439 NH2 ARG A 29 9.464 12.516 -4.411 1.00 0.00 N ATOM 0 H ARG A 29 7.352 7.663 0.265 1.00 0.00 H new ATOM 0 HA ARG A 29 9.131 7.685 -1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.799 9.658 0.431 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.674 10.008 -1.047 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.233 8.989 -1.999 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.745 9.899 -0.584 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.747 11.593 -2.209 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.361 11.772 -1.549 1.00 0.00 H new ATOM 0 HE ARG A 29 8.608 9.897 -3.652 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.528 11.479 -5.080 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.453 12.779 -5.838 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.242 12.332 -3.777 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.538 13.258 -5.107 1.00 0.00 H new ATOM 453 N ASN A 30 10.526 7.232 1.045 1.00 0.00 N ATOM 454 CA ASN A 30 11.778 6.892 1.714 1.00 0.00 C ATOM 455 C ASN A 30 11.908 5.377 1.846 1.00 0.00 C ATOM 456 O ASN A 30 10.921 4.647 1.772 1.00 0.00 O ATOM 457 CB ASN A 30 11.831 7.520 3.107 1.00 0.00 C ATOM 458 CG ASN A 30 12.245 8.983 2.991 1.00 0.00 C ATOM 459 OD1 ASN A 30 11.951 9.641 1.993 1.00 0.00 O ATOM 460 ND2 ASN A 30 12.921 9.535 3.961 1.00 0.00 N ATOM 0 H ASN A 30 9.695 7.160 1.632 1.00 0.00 H new ATOM 0 HA ASN A 30 12.600 7.281 1.113 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.856 7.444 3.589 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.540 6.979 3.734 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.206 10.512 3.892 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.164 8.990 4.788 1.00 0.00 H new ATOM 467 N ARG A 31 13.140 4.914 2.043 1.00 0.00 N ATOM 468 CA ARG A 31 13.388 3.482 2.184 1.00 0.00 C ATOM 469 C ARG A 31 12.941 2.999 3.564 1.00 0.00 C ATOM 470 O ARG A 31 13.754 2.596 4.398 1.00 0.00 O ATOM 471 CB ARG A 31 14.877 3.175 1.992 1.00 0.00 C ATOM 472 CG ARG A 31 15.142 2.828 0.525 1.00 0.00 C ATOM 473 CD ARG A 31 16.410 1.978 0.421 1.00 0.00 C ATOM 474 NE ARG A 31 17.574 2.820 0.156 1.00 0.00 N ATOM 475 CZ ARG A 31 18.772 2.283 -0.061 1.00 0.00 C ATOM 476 NH1 ARG A 31 18.881 1.198 -0.778 1.00 0.00 N ATOM 477 NH2 ARG A 31 19.837 2.842 0.443 1.00 0.00 N ATOM 0 H ARG A 31 13.972 5.501 2.108 1.00 0.00 H new ATOM 0 HA ARG A 31 12.815 2.959 1.418 1.00 0.00 H new ATOM 0 HB2 ARG A 31 15.478 4.035 2.287 1.00 0.00 H new ATOM 0 HB3 ARG A 31 15.173 2.344 2.632 1.00 0.00 H new ATOM 0 HG2 ARG A 31 14.293 2.285 0.110 1.00 0.00 H new ATOM 0 HG3 ARG A 31 15.254 3.740 -0.061 1.00 0.00 H new ATOM 0 HD2 ARG A 31 16.559 1.423 1.347 1.00 0.00 H new ATOM 0 HD3 ARG A 31 16.297 1.243 -0.376 1.00 0.00 H new ATOM 0 HE ARG A 31 17.467 3.834 0.137 1.00 0.00 H new ATOM 0 HH11 ARG A 31 18.048 0.761 -1.172 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.799 0.787 -0.944 1.00 0.00 H new ATOM 0 HH21 ARG A 31 19.751 3.690 1.003 1.00 0.00 H new ATOM 0 HH22 ARG A 31 20.756 2.431 0.277 1.00 0.00 H new ATOM 491 N GLU A 32 11.631 3.044 3.792 1.00 0.00 N ATOM 492 CA GLU A 32 11.073 2.610 5.070 1.00 0.00 C ATOM 493 C GLU A 32 10.307 1.299 4.904 1.00 0.00 C ATOM 494 O GLU A 32 10.234 0.487 5.826 1.00 0.00 O ATOM 495 CB GLU A 32 10.124 3.672 5.630 1.00 0.00 C ATOM 496 CG GLU A 32 10.939 4.834 6.203 1.00 0.00 C ATOM 497 CD GLU A 32 11.384 4.493 7.621 1.00 0.00 C ATOM 498 OE1 GLU A 32 10.615 4.734 8.536 1.00 0.00 O ATOM 499 OE2 GLU A 32 12.489 3.997 7.770 1.00 0.00 O ATOM 0 H GLU A 32 10.942 3.373 3.116 1.00 0.00 H new ATOM 0 HA GLU A 32 11.902 2.461 5.762 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.460 4.032 4.844 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.493 3.239 6.406 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.808 5.027 5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.340 5.745 6.208 1.00 0.00 H new ATOM 506 N GLU A 33 9.738 1.102 3.715 1.00 0.00 N ATOM 507 CA GLU A 33 8.978 -0.115 3.432 1.00 0.00 C ATOM 508 C GLU A 33 7.757 -0.209 4.341 1.00 0.00 C ATOM 509 O GLU A 33 7.869 -0.512 5.528 1.00 0.00 O ATOM 510 CB GLU A 33 9.848 -1.359 3.635 1.00 0.00 C ATOM 511 CG GLU A 33 9.309 -2.505 2.777 1.00 0.00 C ATOM 512 CD GLU A 33 9.979 -2.476 1.407 1.00 0.00 C ATOM 513 OE1 GLU A 33 9.679 -1.575 0.642 1.00 0.00 O ATOM 514 OE2 GLU A 33 10.784 -3.355 1.145 1.00 0.00 O ATOM 0 H GLU A 33 9.788 1.762 2.939 1.00 0.00 H new ATOM 0 HA GLU A 33 8.654 -0.068 2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.881 -1.142 3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.849 -1.647 4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.500 -3.460 3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.228 -2.413 2.667 1.00 0.00 H new ATOM 521 N VAL A 34 6.587 0.055 3.766 1.00 0.00 N ATOM 522 CA VAL A 34 5.342 -0.001 4.527 1.00 0.00 C ATOM 523 C VAL A 34 4.244 -0.659 3.687 1.00 0.00 C ATOM 524 O VAL A 34 4.127 -0.408 2.488 1.00 0.00 O ATOM 525 CB VAL A 34 4.910 1.413 4.948 1.00 0.00 C ATOM 526 CG1 VAL A 34 4.654 2.276 3.708 1.00 0.00 C ATOM 527 CG2 VAL A 34 3.630 1.338 5.790 1.00 0.00 C ATOM 0 H VAL A 34 6.475 0.308 2.784 1.00 0.00 H new ATOM 0 HA VAL A 34 5.506 -0.597 5.425 1.00 0.00 H new ATOM 0 HB VAL A 34 5.708 1.862 5.540 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.349 3.276 4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.567 2.342 3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.864 1.825 3.107 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.329 2.343 6.085 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.835 0.879 5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.815 0.738 6.681 1.00 0.00 H new ATOM 537 N ASP A 35 3.446 -1.506 4.332 1.00 0.00 N ATOM 538 CA ASP A 35 2.364 -2.197 3.634 1.00 0.00 C ATOM 539 C ASP A 35 1.081 -1.370 3.679 1.00 0.00 C ATOM 540 O ASP A 35 0.686 -0.764 2.683 1.00 0.00 O ATOM 541 CB ASP A 35 2.106 -3.566 4.271 1.00 0.00 C ATOM 542 CG ASP A 35 3.264 -4.504 3.947 1.00 0.00 C ATOM 543 OD1 ASP A 35 3.276 -5.042 2.852 1.00 0.00 O ATOM 544 OD2 ASP A 35 4.121 -4.670 4.799 1.00 0.00 O ATOM 0 H ASP A 35 3.525 -1.729 5.324 1.00 0.00 H new ATOM 0 HA ASP A 35 2.666 -2.333 2.595 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.999 -3.462 5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.171 -3.983 3.897 1.00 0.00 H new ATOM 549 N ASP A 36 0.434 -1.355 4.846 1.00 0.00 N ATOM 550 CA ASP A 36 -0.811 -0.604 5.019 1.00 0.00 C ATOM 551 C ASP A 36 -1.907 -1.169 4.107 1.00 0.00 C ATOM 552 O ASP A 36 -1.637 -1.561 2.974 1.00 0.00 O ATOM 553 CB ASP A 36 -0.602 0.879 4.698 1.00 0.00 C ATOM 554 CG ASP A 36 -0.258 1.635 5.977 1.00 0.00 C ATOM 555 OD1 ASP A 36 0.912 1.677 6.320 1.00 0.00 O ATOM 556 OD2 ASP A 36 -1.169 2.161 6.595 1.00 0.00 O ATOM 0 H ASP A 36 0.749 -1.851 5.680 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.118 -0.702 6.060 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.200 0.994 3.969 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.504 1.295 4.249 1.00 0.00 H new ATOM 561 N PRO A 37 -3.158 -1.221 4.588 1.00 0.00 N ATOM 562 CA PRO A 37 -4.275 -1.748 3.796 1.00 0.00 C ATOM 563 C PRO A 37 -4.729 -0.790 2.694 1.00 0.00 C ATOM 564 O PRO A 37 -4.725 -1.136 1.513 1.00 0.00 O ATOM 565 CB PRO A 37 -5.386 -1.963 4.820 1.00 0.00 C ATOM 566 CG PRO A 37 -5.083 -1.026 5.939 1.00 0.00 C ATOM 567 CD PRO A 37 -3.600 -0.784 5.925 1.00 0.00 C ATOM 0 HA PRO A 37 -3.991 -2.658 3.268 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.364 -1.754 4.387 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.405 -2.996 5.167 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.627 -0.090 5.815 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.395 -1.452 6.893 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.370 0.268 6.093 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.100 -1.350 6.711 1.00 0.00 H new ATOM 575 N LYS A 38 -5.124 0.418 3.093 1.00 0.00 N ATOM 576 CA LYS A 38 -5.583 1.420 2.129 1.00 0.00 C ATOM 577 C LYS A 38 -4.502 1.712 1.090 1.00 0.00 C ATOM 578 O LYS A 38 -4.799 2.062 -0.052 1.00 0.00 O ATOM 579 CB LYS A 38 -5.949 2.722 2.846 1.00 0.00 C ATOM 580 CG LYS A 38 -7.031 2.443 3.892 1.00 0.00 C ATOM 581 CD LYS A 38 -6.868 3.410 5.067 1.00 0.00 C ATOM 582 CE LYS A 38 -8.060 3.267 6.014 1.00 0.00 C ATOM 583 NZ LYS A 38 -9.138 4.242 5.683 1.00 0.00 N ATOM 0 H LYS A 38 -5.136 0.726 4.065 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.463 1.018 1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.066 3.146 3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.306 3.458 2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.020 2.558 3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.956 1.413 4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.940 3.200 5.599 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.801 4.435 4.702 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.454 2.253 5.955 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.731 3.421 7.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.018 3.962 6.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.858 5.191 6.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.291 4.254 4.654 1.00 0.00 H new ATOM 597 N LEU A 39 -3.243 1.564 1.498 1.00 0.00 N ATOM 598 CA LEU A 39 -2.126 1.814 0.590 1.00 0.00 C ATOM 599 C LEU A 39 -2.142 0.812 -0.562 1.00 0.00 C ATOM 600 O LEU A 39 -2.332 1.182 -1.721 1.00 0.00 O ATOM 601 CB LEU A 39 -0.794 1.710 1.340 1.00 0.00 C ATOM 602 CG LEU A 39 0.238 2.784 0.989 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.517 2.548 1.795 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.559 2.713 -0.506 1.00 0.00 C ATOM 0 H LEU A 39 -2.973 1.276 2.439 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.232 2.822 0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.994 1.757 2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.358 0.731 1.140 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.166 3.767 1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.251 3.313 1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.290 2.598 2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.922 1.565 1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.294 3.478 -0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.963 1.729 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.351 2.881 -1.082 1.00 0.00 H new ATOM 616 N LYS A 40 -1.938 -0.460 -0.229 1.00 0.00 N ATOM 617 CA LYS A 40 -1.929 -1.512 -1.244 1.00 0.00 C ATOM 618 C LYS A 40 -3.284 -1.592 -1.942 1.00 0.00 C ATOM 619 O LYS A 40 -3.364 -1.814 -3.150 1.00 0.00 O ATOM 620 CB LYS A 40 -1.619 -2.871 -0.608 1.00 0.00 C ATOM 621 CG LYS A 40 -0.335 -2.769 0.217 1.00 0.00 C ATOM 622 CD LYS A 40 0.212 -4.173 0.488 1.00 0.00 C ATOM 623 CE LYS A 40 -0.753 -4.928 1.403 1.00 0.00 C ATOM 624 NZ LYS A 40 -0.506 -6.398 1.358 1.00 0.00 N ATOM 0 H LYS A 40 -1.778 -0.786 0.724 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.156 -1.266 -1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.448 -3.184 0.027 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.507 -3.629 -1.383 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.407 -2.175 -0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.535 -2.257 1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.338 -4.713 -0.450 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.196 -4.108 0.953 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.642 -4.570 2.426 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.780 -4.720 1.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.176 -6.882 1.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.636 -6.742 0.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.467 -6.596 1.668 1.00 0.00 H new ATOM 638 N GLU A 41 -4.347 -1.409 -1.164 1.00 0.00 N ATOM 639 CA GLU A 41 -5.700 -1.462 -1.711 1.00 0.00 C ATOM 640 C GLU A 41 -5.917 -0.342 -2.725 1.00 0.00 C ATOM 641 O GLU A 41 -6.210 -0.591 -3.894 1.00 0.00 O ATOM 642 CB GLU A 41 -6.733 -1.320 -0.592 1.00 0.00 C ATOM 643 CG GLU A 41 -6.872 -2.651 0.150 1.00 0.00 C ATOM 644 CD GLU A 41 -8.113 -2.612 1.034 1.00 0.00 C ATOM 645 OE1 GLU A 41 -7.992 -2.199 2.175 1.00 0.00 O ATOM 646 OE2 GLU A 41 -9.169 -2.995 0.556 1.00 0.00 O ATOM 0 H GLU A 41 -4.300 -1.224 -0.162 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.822 -2.426 -2.205 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.428 -0.536 0.101 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.695 -1.021 -1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.946 -3.472 -0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.986 -2.836 0.757 1.00 0.00 H new ATOM 653 N HIS A 42 -5.774 0.897 -2.258 1.00 0.00 N ATOM 654 CA HIS A 42 -5.961 2.065 -3.121 1.00 0.00 C ATOM 655 C HIS A 42 -5.049 1.996 -4.344 1.00 0.00 C ATOM 656 O HIS A 42 -5.428 2.406 -5.442 1.00 0.00 O ATOM 657 CB HIS A 42 -5.650 3.350 -2.350 1.00 0.00 C ATOM 658 CG HIS A 42 -6.121 4.539 -3.143 1.00 0.00 C ATOM 659 ND1 HIS A 42 -5.251 5.326 -3.880 1.00 0.00 N ATOM 660 CD2 HIS A 42 -7.367 5.088 -3.320 1.00 0.00 C ATOM 661 CE1 HIS A 42 -5.978 6.296 -4.462 1.00 0.00 C ATOM 662 NE2 HIS A 42 -7.274 6.197 -4.155 1.00 0.00 N ATOM 0 H HIS A 42 -5.531 1.119 -1.293 1.00 0.00 H new ATOM 0 HA HIS A 42 -7.001 2.069 -3.448 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -6.141 3.331 -1.377 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.579 3.425 -2.164 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -8.280 4.716 -2.879 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -5.564 7.062 -5.100 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -8.033 6.804 -4.466 1.00 0.00 H new ATOM 670 N ALA A 43 -3.841 1.478 -4.140 1.00 0.00 N ATOM 671 CA ALA A 43 -2.871 1.363 -5.229 1.00 0.00 C ATOM 672 C ALA A 43 -3.442 0.549 -6.390 1.00 0.00 C ATOM 673 O ALA A 43 -3.329 0.939 -7.551 1.00 0.00 O ATOM 674 CB ALA A 43 -1.591 0.690 -4.734 1.00 0.00 C ATOM 0 H ALA A 43 -3.510 1.133 -3.239 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.646 2.371 -5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.880 0.612 -5.556 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.154 1.284 -3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.825 -0.307 -4.361 1.00 0.00 H new ATOM 680 N PHE A 44 -4.058 -0.586 -6.063 1.00 0.00 N ATOM 681 CA PHE A 44 -4.644 -1.449 -7.088 1.00 0.00 C ATOM 682 C PHE A 44 -5.688 -0.681 -7.897 1.00 0.00 C ATOM 683 O PHE A 44 -5.867 -0.916 -9.092 1.00 0.00 O ATOM 684 CB PHE A 44 -5.298 -2.679 -6.448 1.00 0.00 C ATOM 685 CG PHE A 44 -5.779 -3.633 -7.523 1.00 0.00 C ATOM 686 CD1 PHE A 44 -4.928 -4.005 -8.574 1.00 0.00 C ATOM 687 CD2 PHE A 44 -7.081 -4.148 -7.463 1.00 0.00 C ATOM 688 CE1 PHE A 44 -5.379 -4.888 -9.562 1.00 0.00 C ATOM 689 CE2 PHE A 44 -7.530 -5.032 -8.451 1.00 0.00 C ATOM 690 CZ PHE A 44 -6.680 -5.402 -9.500 1.00 0.00 C ATOM 0 H PHE A 44 -4.164 -0.927 -5.108 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.844 -1.777 -7.752 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.583 -3.183 -5.797 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.136 -2.371 -5.823 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.924 -3.610 -8.621 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.738 -3.863 -6.655 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.724 -5.173 -10.372 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.533 -5.429 -8.404 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.028 -6.084 -10.262 1.00 0.00 H new ATOM 700 N CYS A 45 -6.366 0.250 -7.231 1.00 0.00 N ATOM 701 CA CYS A 45 -7.381 1.060 -7.897 1.00 0.00 C ATOM 702 C CYS A 45 -6.739 1.932 -8.973 1.00 0.00 C ATOM 703 O CYS A 45 -7.367 2.266 -9.977 1.00 0.00 O ATOM 704 CB CYS A 45 -8.095 1.959 -6.887 1.00 0.00 C ATOM 705 SG CYS A 45 -9.753 2.354 -7.495 1.00 0.00 S ATOM 0 H CYS A 45 -6.233 0.461 -6.242 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.105 0.387 -8.356 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -8.160 1.458 -5.921 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.525 2.875 -6.733 1.00 0.00 H new ATOM 710 N ILE A 46 -5.477 2.298 -8.752 1.00 0.00 N ATOM 711 CA ILE A 46 -4.755 3.134 -9.709 1.00 0.00 C ATOM 712 C ILE A 46 -4.126 2.265 -10.795 1.00 0.00 C ATOM 713 O ILE A 46 -4.064 2.650 -11.962 1.00 0.00 O ATOM 714 CB ILE A 46 -3.640 3.943 -9.019 1.00 0.00 C ATOM 715 CG1 ILE A 46 -4.101 4.447 -7.637 1.00 0.00 C ATOM 716 CG2 ILE A 46 -3.270 5.141 -9.894 1.00 0.00 C ATOM 717 CD1 ILE A 46 -5.378 5.284 -7.774 1.00 0.00 C ATOM 0 H ILE A 46 -4.938 2.032 -7.928 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.475 3.825 -10.148 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.775 3.294 -8.882 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.283 3.600 -6.976 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.313 5.045 -7.179 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.481 5.716 -9.409 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.918 4.789 -10.864 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.146 5.774 -10.034 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.692 5.633 -6.790 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.184 6.141 -8.418 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.168 4.673 -8.211 1.00 0.00 H new ATOM 729 N LEU A 47 -3.660 1.084 -10.393 1.00 0.00 N ATOM 730 CA LEU A 47 -3.034 0.157 -11.334 1.00 0.00 C ATOM 731 C LEU A 47 -4.028 -0.249 -12.422 1.00 0.00 C ATOM 732 O LEU A 47 -3.754 -0.115 -13.615 1.00 0.00 O ATOM 733 CB LEU A 47 -2.539 -1.097 -10.595 1.00 0.00 C ATOM 734 CG LEU A 47 -1.023 -1.185 -10.391 1.00 0.00 C ATOM 735 CD1 LEU A 47 -0.336 -1.344 -11.748 1.00 0.00 C ATOM 736 CD2 LEU A 47 -0.523 0.091 -9.711 1.00 0.00 C ATOM 0 H LEU A 47 -3.703 0.748 -9.431 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.185 0.659 -11.797 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.023 -1.137 -9.619 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.866 -1.977 -11.149 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.790 -2.044 -9.762 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.743 -1.407 -11.605 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.691 -2.254 -12.231 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.569 -0.485 -12.377 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.555 0.028 -9.566 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.755 0.952 -10.338 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.013 0.204 -8.744 1.00 0.00 H new ATOM 748 N LYS A 48 -5.182 -0.751 -11.994 1.00 0.00 N ATOM 749 CA LYS A 48 -6.214 -1.182 -12.933 1.00 0.00 C ATOM 750 C LYS A 48 -6.775 0.010 -13.705 1.00 0.00 C ATOM 751 O LYS A 48 -7.104 -0.099 -14.887 1.00 0.00 O ATOM 752 CB LYS A 48 -7.357 -1.873 -12.186 1.00 0.00 C ATOM 753 CG LYS A 48 -8.204 -2.681 -13.173 1.00 0.00 C ATOM 754 CD LYS A 48 -9.420 -1.857 -13.604 1.00 0.00 C ATOM 755 CE LYS A 48 -10.387 -1.718 -12.426 1.00 0.00 C ATOM 756 NZ LYS A 48 -11.713 -1.201 -12.871 1.00 0.00 N ATOM 0 H LYS A 48 -5.426 -0.869 -11.011 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.757 -1.881 -13.634 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.955 -2.529 -11.414 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.977 -1.131 -11.683 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.607 -2.949 -14.045 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.529 -3.613 -12.710 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.102 -0.872 -13.945 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.920 -2.339 -14.444 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.516 -2.686 -11.942 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.963 -1.044 -11.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.346 -1.118 -12.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.591 -0.266 -13.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.127 -1.858 -13.563 1.00 0.00 H new ATOM 770 N ARG A 49 -6.883 1.147 -13.025 1.00 0.00 N ATOM 771 CA ARG A 49 -7.412 2.354 -13.656 1.00 0.00 C ATOM 772 C ARG A 49 -6.427 2.902 -14.686 1.00 0.00 C ATOM 773 O ARG A 49 -6.806 3.249 -15.804 1.00 0.00 O ATOM 774 CB ARG A 49 -7.685 3.433 -12.607 1.00 0.00 C ATOM 775 CG ARG A 49 -9.042 3.175 -11.950 1.00 0.00 C ATOM 776 CD ARG A 49 -10.161 3.569 -12.917 1.00 0.00 C ATOM 777 NE ARG A 49 -11.329 2.712 -12.729 1.00 0.00 N ATOM 778 CZ ARG A 49 -12.223 2.551 -13.700 1.00 0.00 C ATOM 779 NH1 ARG A 49 -11.903 1.885 -14.776 1.00 0.00 N ATOM 780 NH2 ARG A 49 -13.419 3.057 -13.578 1.00 0.00 N ATOM 0 H ARG A 49 -6.615 1.259 -12.047 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.344 2.086 -14.154 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.898 3.430 -11.853 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.676 4.418 -13.073 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.133 2.123 -11.681 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.126 3.749 -11.027 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.438 4.611 -12.756 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.806 3.489 -13.944 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.461 2.230 -11.840 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.968 1.489 -14.871 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.588 1.761 -15.522 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.669 3.577 -12.737 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.104 2.933 -14.324 1.00 0.00 H new ATOM 794 N ALA A 50 -5.157 2.977 -14.293 1.00 0.00 N ATOM 795 CA ALA A 50 -4.119 3.488 -15.189 1.00 0.00 C ATOM 796 C ALA A 50 -4.040 2.653 -16.465 1.00 0.00 C ATOM 797 O ALA A 50 -3.671 3.153 -17.527 1.00 0.00 O ATOM 798 CB ALA A 50 -2.755 3.464 -14.495 1.00 0.00 C ATOM 0 H ALA A 50 -4.823 2.694 -13.371 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.382 4.514 -15.448 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.994 3.847 -15.175 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.790 4.087 -13.602 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.508 2.440 -14.214 1.00 0.00 H new ATOM 804 N GLY A 51 -4.393 1.375 -16.350 1.00 0.00 N ATOM 805 CA GLY A 51 -4.360 0.480 -17.499 1.00 0.00 C ATOM 806 C GLY A 51 -3.111 -0.397 -17.469 1.00 0.00 C ATOM 807 O GLY A 51 -2.585 -0.790 -18.510 1.00 0.00 O ATOM 0 H GLY A 51 -4.702 0.941 -15.480 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.251 -0.148 -17.502 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.378 1.063 -18.420 1.00 0.00 H new ATOM 811 N PHE A 52 -2.645 -0.702 -16.261 1.00 0.00 N ATOM 812 CA PHE A 52 -1.460 -1.538 -16.099 1.00 0.00 C ATOM 813 C PHE A 52 -1.866 -2.975 -15.795 1.00 0.00 C ATOM 814 O PHE A 52 -1.191 -3.926 -16.190 1.00 0.00 O ATOM 815 CB PHE A 52 -0.585 -1.014 -14.960 1.00 0.00 C ATOM 816 CG PHE A 52 0.236 0.154 -15.450 1.00 0.00 C ATOM 817 CD1 PHE A 52 1.222 -0.044 -16.424 1.00 0.00 C ATOM 818 CD2 PHE A 52 0.011 1.435 -14.932 1.00 0.00 C ATOM 819 CE1 PHE A 52 1.984 1.039 -16.880 1.00 0.00 C ATOM 820 CE2 PHE A 52 0.772 2.517 -15.386 1.00 0.00 C ATOM 821 CZ PHE A 52 1.758 2.319 -16.360 1.00 0.00 C ATOM 0 H PHE A 52 -3.066 -0.386 -15.387 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.894 -1.507 -17.030 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.209 -0.707 -14.120 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.070 -1.806 -14.597 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.395 -1.032 -16.824 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.751 1.588 -14.182 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.745 0.887 -17.631 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.599 3.505 -14.985 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.345 3.155 -16.711 1.00 0.00 H new ATOM 831 N ILE A 53 -2.981 -3.122 -15.085 1.00 0.00 N ATOM 832 CA ILE A 53 -3.478 -4.447 -14.730 1.00 0.00 C ATOM 833 C ILE A 53 -4.941 -4.591 -15.161 1.00 0.00 C ATOM 834 O ILE A 53 -5.709 -3.630 -15.122 1.00 0.00 O ATOM 835 CB ILE A 53 -3.341 -4.674 -13.217 1.00 0.00 C ATOM 836 CG1 ILE A 53 -3.746 -6.110 -12.875 1.00 0.00 C ATOM 837 CG2 ILE A 53 -4.231 -3.692 -12.445 1.00 0.00 C ATOM 838 CD1 ILE A 53 -2.925 -6.595 -11.680 1.00 0.00 C ATOM 0 H ILE A 53 -3.553 -2.348 -14.747 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.885 -5.199 -15.250 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.303 -4.507 -12.930 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.810 -6.154 -12.642 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.580 -6.761 -13.733 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.122 -3.866 -11.375 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.933 -2.670 -12.678 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.272 -3.841 -12.733 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.211 -7.618 -11.433 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.865 -6.565 -11.931 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.114 -5.949 -10.823 1.00 0.00 H new ATOM 850 N ASP A 54 -5.312 -5.797 -15.588 1.00 0.00 N ATOM 851 CA ASP A 54 -6.682 -6.042 -16.039 1.00 0.00 C ATOM 852 C ASP A 54 -7.555 -6.574 -14.904 1.00 0.00 C ATOM 853 O ASP A 54 -7.068 -6.916 -13.826 1.00 0.00 O ATOM 854 CB ASP A 54 -6.700 -7.043 -17.200 1.00 0.00 C ATOM 855 CG ASP A 54 -5.919 -8.296 -16.818 1.00 0.00 C ATOM 856 OD1 ASP A 54 -4.762 -8.163 -16.457 1.00 0.00 O ATOM 857 OD2 ASP A 54 -6.489 -9.371 -16.895 1.00 0.00 O ATOM 0 H ASP A 54 -4.695 -6.608 -15.631 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.086 -5.087 -16.376 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.728 -7.307 -17.448 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.263 -6.589 -18.090 1.00 0.00 H new ATOM 862 N ALA A 55 -8.859 -6.626 -15.168 1.00 0.00 N ATOM 863 CA ALA A 55 -9.834 -7.101 -14.184 1.00 0.00 C ATOM 864 C ALA A 55 -9.490 -8.496 -13.654 1.00 0.00 C ATOM 865 O ALA A 55 -9.967 -8.894 -12.590 1.00 0.00 O ATOM 866 CB ALA A 55 -11.231 -7.143 -14.804 1.00 0.00 C ATOM 0 H ALA A 55 -9.268 -6.344 -16.059 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.807 -6.400 -13.349 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.947 -7.498 -14.063 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.514 -6.143 -15.132 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.229 -7.819 -15.659 1.00 0.00 H new ATOM 872 N SER A 56 -8.677 -9.244 -14.398 1.00 0.00 N ATOM 873 CA SER A 56 -8.314 -10.594 -13.970 1.00 0.00 C ATOM 874 C SER A 56 -7.077 -10.566 -13.070 1.00 0.00 C ATOM 875 O SER A 56 -6.879 -11.459 -12.246 1.00 0.00 O ATOM 876 CB SER A 56 -8.042 -11.487 -15.185 1.00 0.00 C ATOM 877 OG SER A 56 -9.154 -12.351 -15.387 1.00 0.00 O ATOM 0 H SER A 56 -8.264 -8.947 -15.282 1.00 0.00 H new ATOM 0 HA SER A 56 -9.152 -11.002 -13.405 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.876 -10.875 -16.072 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.136 -12.072 -15.027 1.00 0.00 H new ATOM 0 HG SER A 56 -8.986 -12.924 -16.164 1.00 0.00 H new ATOM 883 N GLY A 57 -6.255 -9.531 -13.222 1.00 0.00 N ATOM 884 CA GLY A 57 -5.057 -9.402 -12.403 1.00 0.00 C ATOM 885 C GLY A 57 -3.786 -9.715 -13.196 1.00 0.00 C ATOM 886 O GLY A 57 -2.738 -9.996 -12.615 1.00 0.00 O ATOM 0 H GLY A 57 -6.395 -8.779 -13.897 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.996 -8.389 -12.006 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.127 -10.076 -11.549 1.00 0.00 H new ATOM 890 N GLU A 58 -3.881 -9.654 -14.522 1.00 0.00 N ATOM 891 CA GLU A 58 -2.718 -9.924 -15.365 1.00 0.00 C ATOM 892 C GLU A 58 -1.861 -8.668 -15.482 1.00 0.00 C ATOM 893 O GLU A 58 -2.239 -7.702 -16.145 1.00 0.00 O ATOM 894 CB GLU A 58 -3.157 -10.364 -16.764 1.00 0.00 C ATOM 895 CG GLU A 58 -2.129 -11.340 -17.338 1.00 0.00 C ATOM 896 CD GLU A 58 -2.517 -12.766 -16.964 1.00 0.00 C ATOM 897 OE1 GLU A 58 -3.295 -13.358 -17.696 1.00 0.00 O ATOM 898 OE2 GLU A 58 -2.033 -13.247 -15.953 1.00 0.00 O ATOM 0 H GLU A 58 -4.735 -9.424 -15.030 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.139 -10.725 -14.905 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.137 -10.838 -16.717 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.254 -9.496 -17.416 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.080 -11.238 -18.422 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.137 -11.109 -16.951 1.00 0.00 H new ATOM 905 N PHE A 59 -0.707 -8.686 -14.819 1.00 0.00 N ATOM 906 CA PHE A 59 0.191 -7.534 -14.845 1.00 0.00 C ATOM 907 C PHE A 59 0.766 -7.319 -16.241 1.00 0.00 C ATOM 908 O PHE A 59 0.993 -8.267 -16.994 1.00 0.00 O ATOM 909 CB PHE A 59 1.347 -7.717 -13.853 1.00 0.00 C ATOM 910 CG PHE A 59 1.997 -9.066 -14.055 1.00 0.00 C ATOM 911 CD1 PHE A 59 2.791 -9.302 -15.184 1.00 0.00 C ATOM 912 CD2 PHE A 59 1.809 -10.081 -13.107 1.00 0.00 C ATOM 913 CE1 PHE A 59 3.395 -10.552 -15.365 1.00 0.00 C ATOM 914 CE2 PHE A 59 2.413 -11.331 -13.290 1.00 0.00 C ATOM 915 CZ PHE A 59 3.206 -11.567 -14.419 1.00 0.00 C ATOM 0 H PHE A 59 -0.375 -9.475 -14.264 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.396 -6.661 -14.559 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.084 -6.926 -13.991 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.976 -7.633 -12.831 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.937 -8.520 -15.915 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.198 -9.899 -12.235 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.008 -10.734 -16.236 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.267 -12.113 -12.560 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.672 -12.531 -14.560 1.00 0.00 H new ATOM 925 N GLN A 60 1.005 -6.051 -16.571 1.00 0.00 N ATOM 926 CA GLN A 60 1.565 -5.696 -17.873 1.00 0.00 C ATOM 927 C GLN A 60 2.809 -4.838 -17.677 1.00 0.00 C ATOM 928 O GLN A 60 2.750 -3.609 -17.718 1.00 0.00 O ATOM 929 CB GLN A 60 0.544 -4.919 -18.707 1.00 0.00 C ATOM 930 CG GLN A 60 -0.425 -5.900 -19.370 1.00 0.00 C ATOM 931 CD GLN A 60 -1.796 -5.247 -19.507 1.00 0.00 C ATOM 932 OE1 GLN A 60 -2.160 -4.379 -18.713 1.00 0.00 O ATOM 933 NE2 GLN A 60 -2.586 -5.615 -20.478 1.00 0.00 N ATOM 0 H GLN A 60 0.821 -5.257 -15.958 1.00 0.00 H new ATOM 0 HA GLN A 60 1.825 -6.614 -18.400 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.004 -4.222 -18.073 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.054 -4.326 -19.466 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.050 -6.191 -20.351 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.502 -6.810 -18.775 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.285 -6.334 -21.136 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.505 -5.184 -20.579 1.00 0.00 H new ATOM 942 N LEU A 61 3.934 -5.505 -17.445 1.00 0.00 N ATOM 943 CA LEU A 61 5.198 -4.808 -17.220 1.00 0.00 C ATOM 944 C LEU A 61 5.733 -4.175 -18.504 1.00 0.00 C ATOM 945 O LEU A 61 6.529 -3.237 -18.456 1.00 0.00 O ATOM 946 CB LEU A 61 6.238 -5.781 -16.665 1.00 0.00 C ATOM 947 CG LEU A 61 5.729 -6.722 -15.569 1.00 0.00 C ATOM 948 CD1 LEU A 61 6.896 -7.541 -15.014 1.00 0.00 C ATOM 949 CD2 LEU A 61 5.102 -5.899 -14.441 1.00 0.00 C ATOM 0 H LEU A 61 3.998 -6.522 -17.408 1.00 0.00 H new ATOM 0 HA LEU A 61 5.010 -4.011 -16.501 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.625 -6.382 -17.487 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.075 -5.206 -16.269 1.00 0.00 H new ATOM 0 HG LEU A 61 4.981 -7.395 -15.988 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.532 -8.210 -14.234 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.343 -8.128 -15.817 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.645 -6.869 -14.595 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.739 -6.568 -13.661 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.850 -5.225 -14.023 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.269 -5.317 -14.835 1.00 0.00 H new ATOM 961 N ASP A 62 5.294 -4.687 -19.653 1.00 0.00 N ATOM 962 CA ASP A 62 5.747 -4.144 -20.934 1.00 0.00 C ATOM 963 C ASP A 62 5.396 -2.661 -21.047 1.00 0.00 C ATOM 964 O ASP A 62 6.101 -1.889 -21.697 1.00 0.00 O ATOM 965 CB ASP A 62 5.101 -4.899 -22.097 1.00 0.00 C ATOM 966 CG ASP A 62 5.917 -6.150 -22.408 1.00 0.00 C ATOM 967 OD1 ASP A 62 7.065 -6.004 -22.792 1.00 0.00 O ATOM 968 OD2 ASP A 62 5.381 -7.235 -22.256 1.00 0.00 O ATOM 0 H ASP A 62 4.637 -5.464 -19.725 1.00 0.00 H new ATOM 0 HA ASP A 62 6.829 -4.263 -20.980 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.077 -5.174 -21.842 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.049 -4.258 -22.977 1.00 0.00 H new ATOM 973 N HIS A 63 4.299 -2.273 -20.401 1.00 0.00 N ATOM 974 CA HIS A 63 3.862 -0.878 -20.428 1.00 0.00 C ATOM 975 C HIS A 63 4.534 -0.086 -19.307 1.00 0.00 C ATOM 976 O HIS A 63 4.761 1.117 -19.430 1.00 0.00 O ATOM 977 CB HIS A 63 2.343 -0.791 -20.260 1.00 0.00 C ATOM 978 CG HIS A 63 1.676 -1.115 -21.568 1.00 0.00 C ATOM 979 ND1 HIS A 63 2.105 -2.154 -22.380 1.00 0.00 N ATOM 980 CD2 HIS A 63 0.609 -0.547 -22.219 1.00 0.00 C ATOM 981 CE1 HIS A 63 1.306 -2.178 -23.463 1.00 0.00 C ATOM 982 NE2 HIS A 63 0.377 -1.220 -23.415 1.00 0.00 N ATOM 0 H HIS A 63 3.702 -2.896 -19.858 1.00 0.00 H new ATOM 0 HA HIS A 63 4.146 -0.454 -21.391 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.011 -1.485 -19.488 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.059 0.209 -19.932 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.036 0.294 -21.858 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.404 -2.886 -24.273 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.347 -1.024 -24.106 1.00 0.00 H new ATOM 990 N ILE A 64 4.852 -0.777 -18.212 1.00 0.00 N ATOM 991 CA ILE A 64 5.500 -0.131 -17.072 1.00 0.00 C ATOM 992 C ILE A 64 6.899 0.350 -17.454 1.00 0.00 C ATOM 993 O ILE A 64 7.254 1.509 -17.237 1.00 0.00 O ATOM 994 CB ILE A 64 5.612 -1.110 -15.895 1.00 0.00 C ATOM 995 CG1 ILE A 64 4.222 -1.646 -15.542 1.00 0.00 C ATOM 996 CG2 ILE A 64 6.202 -0.398 -14.673 1.00 0.00 C ATOM 997 CD1 ILE A 64 4.351 -2.737 -14.476 1.00 0.00 C ATOM 0 H ILE A 64 4.673 -1.774 -18.091 1.00 0.00 H new ATOM 0 HA ILE A 64 4.891 0.724 -16.778 1.00 0.00 H new ATOM 0 HB ILE A 64 6.265 -1.934 -16.181 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.591 -0.837 -15.175 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.739 -2.048 -16.432 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.277 -1.101 -13.843 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.194 -0.017 -14.917 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.555 0.432 -14.388 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.362 -3.119 -14.224 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.967 -3.550 -14.860 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.817 -2.320 -13.583 1.00 0.00 H new ATOM 1009 N LYS A 65 7.691 -0.560 -18.017 1.00 0.00 N ATOM 1010 CA LYS A 65 9.061 -0.233 -18.418 1.00 0.00 C ATOM 1011 C LYS A 65 9.087 0.965 -19.367 1.00 0.00 C ATOM 1012 O LYS A 65 9.940 1.844 -19.256 1.00 0.00 O ATOM 1013 CB LYS A 65 9.715 -1.437 -19.105 1.00 0.00 C ATOM 1014 CG LYS A 65 8.914 -1.828 -20.353 1.00 0.00 C ATOM 1015 CD LYS A 65 9.218 -3.282 -20.726 1.00 0.00 C ATOM 1016 CE LYS A 65 10.694 -3.421 -21.106 1.00 0.00 C ATOM 1017 NZ LYS A 65 10.884 -4.417 -22.199 1.00 0.00 N ATOM 0 H LYS A 65 7.412 -1.523 -18.206 1.00 0.00 H new ATOM 0 HA LYS A 65 9.618 0.022 -17.517 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.741 -1.195 -19.382 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.762 -2.279 -18.414 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.847 -1.706 -20.165 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.169 -1.168 -21.182 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.985 -3.939 -19.888 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.588 -3.593 -21.559 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.082 -2.453 -21.423 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.269 -3.725 -20.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.895 -4.487 -22.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.535 -5.346 -21.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.354 -4.114 -23.041 1.00 0.00 H new ATOM 1031 N THR A 66 8.143 0.984 -20.304 1.00 0.00 N ATOM 1032 CA THR A 66 8.064 2.072 -21.276 1.00 0.00 C ATOM 1033 C THR A 66 7.859 3.413 -20.575 1.00 0.00 C ATOM 1034 O THR A 66 8.496 4.410 -20.916 1.00 0.00 O ATOM 1035 CB THR A 66 6.902 1.838 -22.244 1.00 0.00 C ATOM 1036 OG1 THR A 66 6.936 0.493 -22.702 1.00 0.00 O ATOM 1037 CG2 THR A 66 7.027 2.789 -23.435 1.00 0.00 C ATOM 0 H THR A 66 7.427 0.265 -20.411 1.00 0.00 H new ATOM 0 HA THR A 66 9.004 2.094 -21.827 1.00 0.00 H new ATOM 0 HB THR A 66 5.958 2.025 -21.733 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.441 -0.078 -22.078 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.199 2.621 -24.123 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.002 3.820 -23.082 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.970 2.605 -23.950 1.00 0.00 H new ATOM 1045 N LYS A 67 6.961 3.427 -19.595 1.00 0.00 N ATOM 1046 CA LYS A 67 6.674 4.653 -18.854 1.00 0.00 C ATOM 1047 C LYS A 67 7.911 5.130 -18.100 1.00 0.00 C ATOM 1048 O LYS A 67 8.306 6.292 -18.202 1.00 0.00 O ATOM 1049 CB LYS A 67 5.537 4.421 -17.857 1.00 0.00 C ATOM 1050 CG LYS A 67 4.192 4.633 -18.559 1.00 0.00 C ATOM 1051 CD LYS A 67 3.711 6.067 -18.324 1.00 0.00 C ATOM 1052 CE LYS A 67 4.403 7.011 -19.310 1.00 0.00 C ATOM 1053 NZ LYS A 67 5.570 7.694 -18.682 1.00 0.00 N ATOM 0 H LYS A 67 6.424 2.613 -19.297 1.00 0.00 H new ATOM 0 HA LYS A 67 6.377 5.416 -19.573 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.593 3.410 -17.453 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.632 5.106 -17.015 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.294 4.443 -19.628 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.456 3.925 -18.178 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.630 6.123 -18.450 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.929 6.371 -17.300 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.735 6.448 -20.182 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.690 7.756 -19.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.393 8.718 -18.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.708 7.330 -17.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.424 7.511 -19.246 1.00 0.00 H new ATOM 1067 N PHE A 68 8.519 4.223 -17.341 1.00 0.00 N ATOM 1068 CA PHE A 68 9.713 4.565 -16.573 1.00 0.00 C ATOM 1069 C PHE A 68 10.870 4.935 -17.502 1.00 0.00 C ATOM 1070 O PHE A 68 11.794 5.643 -17.105 1.00 0.00 O ATOM 1071 CB PHE A 68 10.133 3.390 -15.686 1.00 0.00 C ATOM 1072 CG PHE A 68 9.431 3.490 -14.353 1.00 0.00 C ATOM 1073 CD1 PHE A 68 9.598 4.632 -13.559 1.00 0.00 C ATOM 1074 CD2 PHE A 68 8.614 2.443 -13.910 1.00 0.00 C ATOM 1075 CE1 PHE A 68 8.945 4.726 -12.324 1.00 0.00 C ATOM 1076 CE2 PHE A 68 7.963 2.538 -12.674 1.00 0.00 C ATOM 1077 CZ PHE A 68 8.129 3.679 -11.881 1.00 0.00 C ATOM 0 H PHE A 68 8.210 3.256 -17.241 1.00 0.00 H new ATOM 0 HA PHE A 68 9.472 5.424 -15.947 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.883 2.447 -16.171 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.213 3.397 -15.542 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.230 5.439 -13.899 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.486 1.562 -14.522 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.071 5.607 -11.713 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.333 1.730 -12.333 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.627 3.752 -10.927 1.00 0.00 H new ATOM 1087 N LYS A 69 10.814 4.449 -18.743 1.00 0.00 N ATOM 1088 CA LYS A 69 11.867 4.742 -19.713 1.00 0.00 C ATOM 1089 C LYS A 69 11.819 6.213 -20.126 1.00 0.00 C ATOM 1090 O LYS A 69 12.690 7.004 -19.765 1.00 0.00 O ATOM 1091 CB LYS A 69 11.701 3.859 -20.962 1.00 0.00 C ATOM 1092 CG LYS A 69 13.007 3.112 -21.252 1.00 0.00 C ATOM 1093 CD LYS A 69 12.688 1.728 -21.821 1.00 0.00 C ATOM 1094 CE LYS A 69 13.963 0.885 -21.858 1.00 0.00 C ATOM 1095 NZ LYS A 69 14.844 1.280 -22.993 1.00 0.00 N ATOM 0 H LYS A 69 10.061 3.859 -19.096 1.00 0.00 H new ATOM 0 HA LYS A 69 12.829 4.532 -19.245 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.891 3.146 -20.809 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.426 4.474 -21.819 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.612 3.678 -21.961 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.593 3.015 -20.338 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.932 1.237 -21.208 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.273 1.823 -22.824 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.504 1.000 -20.919 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.701 -0.169 -21.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.700 0.689 -22.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.335 1.147 -23.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.113 2.280 -22.892 1.00 0.00 H new ATOM 1109 N GLU A 70 10.789 6.563 -20.896 1.00 0.00 N ATOM 1110 CA GLU A 70 10.621 7.938 -21.373 1.00 0.00 C ATOM 1111 C GLU A 70 10.646 8.934 -20.214 1.00 0.00 C ATOM 1112 O GLU A 70 11.242 10.007 -20.311 1.00 0.00 O ATOM 1113 CB GLU A 70 9.292 8.083 -22.121 1.00 0.00 C ATOM 1114 CG GLU A 70 8.138 7.645 -21.215 1.00 0.00 C ATOM 1115 CD GLU A 70 6.920 7.309 -22.068 1.00 0.00 C ATOM 1116 OE1 GLU A 70 6.268 8.235 -22.524 1.00 0.00 O ATOM 1117 OE2 GLU A 70 6.656 6.133 -22.254 1.00 0.00 O ATOM 0 H GLU A 70 10.061 5.918 -21.202 1.00 0.00 H new ATOM 0 HA GLU A 70 11.452 8.155 -22.045 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.150 9.118 -22.432 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.306 7.477 -23.027 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.433 6.777 -20.626 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.893 8.440 -20.510 1.00 0.00 H new ATOM 1210 N LYS A 77 18.437 0.889 -16.981 1.00 0.00 N ATOM 1211 CA LYS A 77 18.353 0.020 -15.809 1.00 0.00 C ATOM 1212 C LYS A 77 16.900 -0.328 -15.477 1.00 0.00 C ATOM 1213 O LYS A 77 16.628 -1.339 -14.829 1.00 0.00 O ATOM 1214 CB LYS A 77 18.989 0.702 -14.594 1.00 0.00 C ATOM 1215 CG LYS A 77 20.516 0.626 -14.702 1.00 0.00 C ATOM 1216 CD LYS A 77 21.033 -0.566 -13.889 1.00 0.00 C ATOM 1217 CE LYS A 77 21.315 -1.746 -14.823 1.00 0.00 C ATOM 1218 NZ LYS A 77 22.755 -1.804 -15.206 1.00 0.00 N ATOM 0 HA LYS A 77 18.891 -0.898 -16.044 1.00 0.00 H new ATOM 0 HB2 LYS A 77 18.670 1.743 -14.540 1.00 0.00 H new ATOM 0 HB3 LYS A 77 18.655 0.218 -13.676 1.00 0.00 H new ATOM 0 HG2 LYS A 77 20.812 0.522 -15.746 1.00 0.00 H new ATOM 0 HG3 LYS A 77 20.963 1.550 -14.335 1.00 0.00 H new ATOM 0 HD2 LYS A 77 21.942 -0.287 -13.355 1.00 0.00 H new ATOM 0 HD3 LYS A 77 20.297 -0.852 -13.138 1.00 0.00 H new ATOM 0 HE2 LYS A 77 21.030 -2.677 -14.333 1.00 0.00 H new ATOM 0 HE3 LYS A 77 20.702 -1.657 -15.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 22.914 -2.614 -15.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 23.020 -0.925 -15.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 23.337 -1.913 -14.351 1.00 0.00 H new ATOM 1232 N VAL A 78 15.966 0.517 -15.920 1.00 0.00 N ATOM 1233 CA VAL A 78 14.542 0.283 -15.654 1.00 0.00 C ATOM 1234 C VAL A 78 14.109 -1.097 -16.157 1.00 0.00 C ATOM 1235 O VAL A 78 13.404 -1.829 -15.463 1.00 0.00 O ATOM 1236 CB VAL A 78 13.685 1.363 -16.332 1.00 0.00 C ATOM 1237 CG1 VAL A 78 12.206 1.171 -15.974 1.00 0.00 C ATOM 1238 CG2 VAL A 78 14.132 2.744 -15.851 1.00 0.00 C ATOM 0 H VAL A 78 16.165 1.360 -16.458 1.00 0.00 H new ATOM 0 HA VAL A 78 14.395 0.327 -14.575 1.00 0.00 H new ATOM 0 HB VAL A 78 13.810 1.281 -17.412 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.611 1.943 -16.461 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.874 0.189 -16.312 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.081 1.244 -14.894 1.00 0.00 H new ATOM 0 HG21 VAL A 78 13.525 3.511 -16.332 1.00 0.00 H new ATOM 0 HG22 VAL A 78 14.011 2.810 -14.770 1.00 0.00 H new ATOM 0 HG23 VAL A 78 15.180 2.897 -16.108 1.00 0.00 H new ATOM 1248 N ASP A 79 14.529 -1.441 -17.375 1.00 0.00 N ATOM 1249 CA ASP A 79 14.166 -2.736 -17.967 1.00 0.00 C ATOM 1250 C ASP A 79 14.472 -3.892 -17.010 1.00 0.00 C ATOM 1251 O ASP A 79 13.613 -4.732 -16.739 1.00 0.00 O ATOM 1252 CB ASP A 79 14.909 -2.968 -19.291 1.00 0.00 C ATOM 1253 CG ASP A 79 16.382 -2.588 -19.150 1.00 0.00 C ATOM 1254 OD1 ASP A 79 17.127 -3.376 -18.590 1.00 0.00 O ATOM 1255 OD2 ASP A 79 16.741 -1.516 -19.606 1.00 0.00 O ATOM 0 H ASP A 79 15.114 -0.852 -17.967 1.00 0.00 H new ATOM 0 HA ASP A 79 13.093 -2.708 -18.158 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.823 -4.014 -19.585 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.449 -2.376 -20.082 1.00 0.00 H new ATOM 1260 N ASP A 80 15.699 -3.924 -16.501 1.00 0.00 N ATOM 1261 CA ASP A 80 16.098 -4.981 -15.576 1.00 0.00 C ATOM 1262 C ASP A 80 15.431 -4.786 -14.217 1.00 0.00 C ATOM 1263 O ASP A 80 15.112 -5.749 -13.521 1.00 0.00 O ATOM 1264 CB ASP A 80 17.615 -4.985 -15.389 1.00 0.00 C ATOM 1265 CG ASP A 80 18.077 -6.393 -15.029 1.00 0.00 C ATOM 1266 OD1 ASP A 80 17.763 -7.306 -15.775 1.00 0.00 O ATOM 1267 OD2 ASP A 80 18.736 -6.539 -14.013 1.00 0.00 O ATOM 0 H ASP A 80 16.427 -3.240 -16.709 1.00 0.00 H new ATOM 0 HA ASP A 80 15.781 -5.933 -16.001 1.00 0.00 H new ATOM 0 HB2 ASP A 80 18.106 -4.652 -16.303 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.897 -4.285 -14.602 1.00 0.00 H new ATOM 1272 N LEU A 81 15.236 -3.523 -13.843 1.00 0.00 N ATOM 1273 CA LEU A 81 14.618 -3.200 -12.558 1.00 0.00 C ATOM 1274 C LEU A 81 13.162 -3.661 -12.516 1.00 0.00 C ATOM 1275 O LEU A 81 12.719 -4.268 -11.541 1.00 0.00 O ATOM 1276 CB LEU A 81 14.676 -1.691 -12.307 1.00 0.00 C ATOM 1277 CG LEU A 81 14.932 -1.275 -10.857 1.00 0.00 C ATOM 1278 CD1 LEU A 81 16.438 -1.187 -10.608 1.00 0.00 C ATOM 1279 CD2 LEU A 81 14.293 0.092 -10.600 1.00 0.00 C ATOM 0 H LEU A 81 15.494 -2.713 -14.406 1.00 0.00 H new ATOM 0 HA LEU A 81 15.175 -3.724 -11.781 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.461 -1.266 -12.933 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.734 -1.249 -12.633 1.00 0.00 H new ATOM 0 HG LEU A 81 14.496 -2.014 -10.185 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.619 -0.891 -9.575 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.895 -2.159 -10.792 1.00 0.00 H new ATOM 0 HD13 LEU A 81 16.875 -0.448 -11.279 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.474 0.390 -9.567 1.00 0.00 H new ATOM 0 HD22 LEU A 81 14.730 0.830 -11.273 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.219 0.031 -10.777 1.00 0.00 H new ATOM 1291 N VAL A 82 12.419 -3.362 -13.581 1.00 0.00 N ATOM 1292 CA VAL A 82 11.005 -3.746 -13.653 1.00 0.00 C ATOM 1293 C VAL A 82 10.841 -5.256 -13.472 1.00 0.00 C ATOM 1294 O VAL A 82 9.869 -5.718 -12.875 1.00 0.00 O ATOM 1295 CB VAL A 82 10.406 -3.327 -15.004 1.00 0.00 C ATOM 1296 CG1 VAL A 82 8.909 -3.663 -15.044 1.00 0.00 C ATOM 1297 CG2 VAL A 82 10.589 -1.818 -15.196 1.00 0.00 C ATOM 0 H VAL A 82 12.765 -2.861 -14.399 1.00 0.00 H new ATOM 0 HA VAL A 82 10.477 -3.234 -12.848 1.00 0.00 H new ATOM 0 HB VAL A 82 10.916 -3.867 -15.801 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.494 -3.362 -16.006 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.773 -4.736 -14.910 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.395 -3.130 -14.244 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.164 -1.519 -16.154 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.082 -1.285 -14.392 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.651 -1.575 -15.178 1.00 0.00 H new ATOM 1307 N ALA A 83 11.796 -6.016 -13.997 1.00 0.00 N ATOM 1308 CA ALA A 83 11.741 -7.473 -13.892 1.00 0.00 C ATOM 1309 C ALA A 83 11.751 -7.910 -12.429 1.00 0.00 C ATOM 1310 O ALA A 83 10.838 -8.591 -11.964 1.00 0.00 O ATOM 1311 CB ALA A 83 12.935 -8.107 -14.607 1.00 0.00 C ATOM 0 H ALA A 83 12.610 -5.654 -14.495 1.00 0.00 H new ATOM 0 HA ALA A 83 10.815 -7.805 -14.362 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.878 -9.192 -14.519 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.919 -7.827 -15.660 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.861 -7.754 -14.152 1.00 0.00 H new ATOM 1317 N LYS A 84 12.801 -7.518 -11.715 1.00 0.00 N ATOM 1318 CA LYS A 84 12.934 -7.880 -10.306 1.00 0.00 C ATOM 1319 C LYS A 84 12.005 -7.044 -9.419 1.00 0.00 C ATOM 1320 O LYS A 84 11.737 -7.408 -8.275 1.00 0.00 O ATOM 1321 CB LYS A 84 14.378 -7.674 -9.841 1.00 0.00 C ATOM 1322 CG LYS A 84 14.726 -8.709 -8.770 1.00 0.00 C ATOM 1323 CD LYS A 84 15.107 -10.031 -9.440 1.00 0.00 C ATOM 1324 CE LYS A 84 15.406 -11.081 -8.368 1.00 0.00 C ATOM 1325 NZ LYS A 84 16.853 -11.099 -8.012 1.00 0.00 N ATOM 0 H LYS A 84 13.567 -6.954 -12.084 1.00 0.00 H new ATOM 0 HA LYS A 84 12.656 -8.930 -10.213 1.00 0.00 H new ATOM 0 HB2 LYS A 84 15.060 -7.768 -10.686 1.00 0.00 H new ATOM 0 HB3 LYS A 84 14.502 -6.667 -9.442 1.00 0.00 H new ATOM 0 HG2 LYS A 84 15.552 -8.349 -8.157 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.876 -8.859 -8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.295 -10.373 -10.082 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.979 -9.889 -10.078 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.813 -10.873 -7.477 1.00 0.00 H new ATOM 0 HE3 LYS A 84 15.106 -12.065 -8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 17.022 -11.821 -7.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 17.416 -11.322 -8.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 17.132 -10.166 -7.646 1.00 0.00 H new ATOM 1339 N CYS A 85 11.521 -5.918 -9.946 1.00 0.00 N ATOM 1340 CA CYS A 85 10.634 -5.053 -9.170 1.00 0.00 C ATOM 1341 C CYS A 85 9.183 -5.501 -9.298 1.00 0.00 C ATOM 1342 O CYS A 85 8.397 -5.369 -8.361 1.00 0.00 O ATOM 1343 CB CYS A 85 10.744 -3.602 -9.642 1.00 0.00 C ATOM 1344 SG CYS A 85 12.274 -2.876 -9.004 1.00 0.00 S ATOM 0 H CYS A 85 11.724 -5.589 -10.890 1.00 0.00 H new ATOM 0 HA CYS A 85 10.943 -5.124 -8.127 1.00 0.00 H new ATOM 0 HB2 CYS A 85 10.736 -3.561 -10.731 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.884 -3.029 -9.295 1.00 0.00 H new ATOM 1349 N ALA A 86 8.832 -6.026 -10.467 1.00 0.00 N ATOM 1350 CA ALA A 86 7.463 -6.482 -10.699 1.00 0.00 C ATOM 1351 C ALA A 86 7.239 -7.859 -10.075 1.00 0.00 C ATOM 1352 O ALA A 86 6.950 -8.839 -10.765 1.00 0.00 O ATOM 1353 CB ALA A 86 7.165 -6.544 -12.200 1.00 0.00 C ATOM 0 H ALA A 86 9.464 -6.146 -11.259 1.00 0.00 H new ATOM 0 HA ALA A 86 6.787 -5.767 -10.230 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.141 -6.885 -12.354 1.00 0.00 H new ATOM 0 HB2 ALA A 86 7.286 -5.553 -12.636 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.855 -7.238 -12.680 1.00 0.00 H new ATOM 1359 N VAL A 87 7.374 -7.919 -8.753 1.00 0.00 N ATOM 1360 CA VAL A 87 7.182 -9.173 -8.027 1.00 0.00 C ATOM 1361 C VAL A 87 5.734 -9.644 -8.141 1.00 0.00 C ATOM 1362 O VAL A 87 4.886 -9.295 -7.321 1.00 0.00 O ATOM 1363 CB VAL A 87 7.532 -9.003 -6.546 1.00 0.00 C ATOM 1364 CG1 VAL A 87 9.046 -8.839 -6.395 1.00 0.00 C ATOM 1365 CG2 VAL A 87 6.821 -7.765 -5.984 1.00 0.00 C ATOM 0 H VAL A 87 7.614 -7.121 -8.165 1.00 0.00 H new ATOM 0 HA VAL A 87 7.844 -9.916 -8.472 1.00 0.00 H new ATOM 0 HB VAL A 87 7.206 -9.885 -5.995 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.296 -8.718 -5.341 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.549 -9.723 -6.788 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.374 -7.959 -6.949 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.073 -7.648 -4.930 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.141 -6.880 -6.534 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.743 -7.886 -6.088 1.00 0.00 H new ATOM 1375 N LYS A 88 5.462 -10.444 -9.164 1.00 0.00 N ATOM 1376 CA LYS A 88 4.112 -10.963 -9.374 1.00 0.00 C ATOM 1377 C LYS A 88 3.707 -11.866 -8.212 1.00 0.00 C ATOM 1378 O LYS A 88 4.225 -12.971 -8.056 1.00 0.00 O ATOM 1379 CB LYS A 88 4.037 -11.761 -10.679 1.00 0.00 C ATOM 1380 CG LYS A 88 5.164 -12.805 -10.724 1.00 0.00 C ATOM 1381 CD LYS A 88 4.570 -14.215 -10.658 1.00 0.00 C ATOM 1382 CE LYS A 88 5.689 -15.229 -10.416 1.00 0.00 C ATOM 1383 NZ LYS A 88 6.014 -15.345 -8.966 1.00 0.00 N ATOM 0 H LYS A 88 6.148 -10.746 -9.856 1.00 0.00 H new ATOM 0 HA LYS A 88 3.430 -10.115 -9.433 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.069 -12.256 -10.757 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.120 -11.087 -11.532 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.744 -12.688 -11.639 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.849 -12.650 -9.890 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.833 -14.273 -9.857 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.050 -14.446 -11.588 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.389 -16.203 -10.802 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.580 -14.928 -10.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.037 -15.221 -8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.502 -14.611 -8.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.729 -16.284 -8.620 1.00 0.00 H new ATOM 1397 N LYS A 89 2.775 -11.381 -7.395 1.00 0.00 N ATOM 1398 CA LYS A 89 2.306 -12.153 -6.245 1.00 0.00 C ATOM 1399 C LYS A 89 1.023 -12.904 -6.590 1.00 0.00 C ATOM 1400 O LYS A 89 0.565 -12.888 -7.733 1.00 0.00 O ATOM 1401 CB LYS A 89 2.041 -11.232 -5.049 1.00 0.00 C ATOM 1402 CG LYS A 89 3.323 -10.477 -4.685 1.00 0.00 C ATOM 1403 CD LYS A 89 4.397 -11.469 -4.221 1.00 0.00 C ATOM 1404 CE LYS A 89 5.173 -10.880 -3.042 1.00 0.00 C ATOM 1405 NZ LYS A 89 5.813 -9.583 -3.402 1.00 0.00 N ATOM 0 H LYS A 89 2.333 -10.468 -7.505 1.00 0.00 H new ATOM 0 HA LYS A 89 3.085 -12.869 -5.984 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.247 -10.525 -5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.697 -11.817 -4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.682 -9.915 -5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.118 -9.753 -3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.933 -12.411 -3.928 1.00 0.00 H new ATOM 0 HD3 LYS A 89 5.079 -11.691 -5.042 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.498 -10.732 -2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.937 -11.587 -2.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.846 -9.670 -3.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.565 -9.334 -4.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.475 -8.839 -2.759 1.00 0.00 H new ATOM 1419 N ASP A 90 0.452 -13.566 -5.587 1.00 0.00 N ATOM 1420 CA ASP A 90 -0.778 -14.329 -5.786 1.00 0.00 C ATOM 1421 C ASP A 90 -1.947 -13.403 -6.106 1.00 0.00 C ATOM 1422 O ASP A 90 -2.737 -13.671 -7.011 1.00 0.00 O ATOM 1423 CB ASP A 90 -1.116 -15.143 -4.535 1.00 0.00 C ATOM 1424 CG ASP A 90 -1.106 -14.233 -3.310 1.00 0.00 C ATOM 1425 OD1 ASP A 90 -2.143 -13.666 -3.010 1.00 0.00 O ATOM 1426 OD2 ASP A 90 -0.061 -14.117 -2.691 1.00 0.00 O ATOM 0 H ASP A 90 0.817 -13.590 -4.635 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.614 -15.004 -6.626 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.095 -15.608 -4.646 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.393 -15.949 -4.407 1.00 0.00 H new ATOM 1431 N THR A 91 -2.053 -12.308 -5.355 1.00 0.00 N ATOM 1432 CA THR A 91 -3.137 -11.356 -5.575 1.00 0.00 C ATOM 1433 C THR A 91 -2.663 -10.211 -6.473 1.00 0.00 C ATOM 1434 O THR A 91 -1.514 -9.777 -6.378 1.00 0.00 O ATOM 1435 CB THR A 91 -3.623 -10.780 -4.242 1.00 0.00 C ATOM 1436 OG1 THR A 91 -2.559 -10.807 -3.301 1.00 0.00 O ATOM 1437 CG2 THR A 91 -4.792 -11.616 -3.717 1.00 0.00 C ATOM 0 H THR A 91 -1.412 -12.061 -4.601 1.00 0.00 H new ATOM 0 HA THR A 91 -3.958 -11.883 -6.060 1.00 0.00 H new ATOM 0 HB THR A 91 -3.953 -9.752 -4.389 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.412 -11.728 -3.000 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.136 -11.204 -2.768 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.608 -11.595 -4.439 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.466 -12.645 -3.569 1.00 0.00 H new ATOM 1445 N PRO A 92 -3.537 -9.704 -7.354 1.00 0.00 N ATOM 1446 CA PRO A 92 -3.180 -8.604 -8.260 1.00 0.00 C ATOM 1447 C PRO A 92 -3.021 -7.283 -7.518 1.00 0.00 C ATOM 1448 O PRO A 92 -2.070 -6.536 -7.748 1.00 0.00 O ATOM 1449 CB PRO A 92 -4.348 -8.536 -9.238 1.00 0.00 C ATOM 1450 CG PRO A 92 -5.501 -9.128 -8.507 1.00 0.00 C ATOM 1451 CD PRO A 92 -4.933 -10.139 -7.554 1.00 0.00 C ATOM 0 HA PRO A 92 -2.222 -8.777 -8.750 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.555 -7.508 -9.534 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.132 -9.093 -10.150 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.055 -8.358 -7.970 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.199 -9.598 -9.200 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.484 -10.154 -6.614 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.981 -11.147 -7.967 1.00 0.00 H new ATOM 1459 N GLN A 93 -3.956 -7.010 -6.610 1.00 0.00 N ATOM 1460 CA GLN A 93 -3.898 -5.779 -5.824 1.00 0.00 C ATOM 1461 C GLN A 93 -2.603 -5.728 -5.010 1.00 0.00 C ATOM 1462 O GLN A 93 -2.120 -4.652 -4.657 1.00 0.00 O ATOM 1463 CB GLN A 93 -5.100 -5.682 -4.879 1.00 0.00 C ATOM 1464 CG GLN A 93 -5.151 -6.916 -3.974 1.00 0.00 C ATOM 1465 CD GLN A 93 -6.603 -7.335 -3.758 1.00 0.00 C ATOM 1466 OE1 GLN A 93 -7.288 -6.795 -2.889 1.00 0.00 O ATOM 1467 NE2 GLN A 93 -7.116 -8.274 -4.504 1.00 0.00 N ATOM 0 H GLN A 93 -4.751 -7.614 -6.402 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.923 -4.936 -6.515 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.026 -4.779 -4.273 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -6.022 -5.604 -5.455 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.590 -7.734 -4.426 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.679 -6.696 -3.016 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.548 -8.721 -5.224 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.085 -8.561 -4.368 1.00 0.00 H new ATOM 1476 N HIS A 94 -2.035 -6.904 -4.731 1.00 0.00 N ATOM 1477 CA HIS A 94 -0.787 -6.977 -3.977 1.00 0.00 C ATOM 1478 C HIS A 94 0.364 -6.464 -4.835 1.00 0.00 C ATOM 1479 O HIS A 94 0.997 -5.457 -4.517 1.00 0.00 O ATOM 1480 CB HIS A 94 -0.495 -8.420 -3.558 1.00 0.00 C ATOM 1481 CG HIS A 94 0.525 -8.422 -2.454 1.00 0.00 C ATOM 1482 ND1 HIS A 94 0.577 -9.425 -1.498 1.00 0.00 N ATOM 1483 CD2 HIS A 94 1.539 -7.552 -2.140 1.00 0.00 C ATOM 1484 CE1 HIS A 94 1.591 -9.135 -0.662 1.00 0.00 C ATOM 1485 NE2 HIS A 94 2.211 -8.003 -1.007 1.00 0.00 N ATOM 0 H HIS A 94 -2.416 -7.807 -5.013 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.888 -6.360 -3.084 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.411 -8.906 -3.222 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.126 -8.990 -4.410 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.779 -6.653 -2.689 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.870 -9.744 0.185 1.00 0.00 H new ATOM 0 HE2 HIS A 94 3.005 -7.564 -0.541 1.00 0.00 H new ATOM 1493 N SER A 95 0.621 -7.170 -5.939 1.00 0.00 N ATOM 1494 CA SER A 95 1.692 -6.791 -6.870 1.00 0.00 C ATOM 1495 C SER A 95 1.630 -5.302 -7.221 1.00 0.00 C ATOM 1496 O SER A 95 2.644 -4.683 -7.545 1.00 0.00 O ATOM 1497 CB SER A 95 1.585 -7.606 -8.161 1.00 0.00 C ATOM 1498 OG SER A 95 0.345 -7.321 -8.795 1.00 0.00 O ATOM 0 H SER A 95 0.104 -8.006 -6.212 1.00 0.00 H new ATOM 0 HA SER A 95 2.641 -6.997 -6.374 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.412 -7.362 -8.828 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.657 -8.671 -7.939 1.00 0.00 H new ATOM 0 HG SER A 95 -0.309 -7.037 -8.122 1.00 0.00 H new ATOM 1504 N SER A 96 0.424 -4.736 -7.158 1.00 0.00 N ATOM 1505 CA SER A 96 0.229 -3.320 -7.476 1.00 0.00 C ATOM 1506 C SER A 96 1.137 -2.433 -6.625 1.00 0.00 C ATOM 1507 O SER A 96 1.917 -1.638 -7.147 1.00 0.00 O ATOM 1508 CB SER A 96 -1.224 -2.917 -7.229 1.00 0.00 C ATOM 1509 OG SER A 96 -2.067 -4.042 -7.440 1.00 0.00 O ATOM 0 H SER A 96 -0.427 -5.232 -6.892 1.00 0.00 H new ATOM 0 HA SER A 96 0.480 -3.182 -8.528 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.342 -2.546 -6.211 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.507 -2.105 -7.899 1.00 0.00 H new ATOM 0 HG SER A 96 -1.968 -4.357 -8.363 1.00 0.00 H new ATOM 1515 N ALA A 97 1.023 -2.578 -5.308 1.00 0.00 N ATOM 1516 CA ALA A 97 1.833 -1.781 -4.389 1.00 0.00 C ATOM 1517 C ALA A 97 3.321 -2.041 -4.615 1.00 0.00 C ATOM 1518 O ALA A 97 4.156 -1.157 -4.423 1.00 0.00 O ATOM 1519 CB ALA A 97 1.484 -2.119 -2.938 1.00 0.00 C ATOM 0 H ALA A 97 0.385 -3.233 -4.856 1.00 0.00 H new ATOM 0 HA ALA A 97 1.618 -0.730 -4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.096 -1.517 -2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.430 -1.905 -2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.676 -3.176 -2.754 1.00 0.00 H new ATOM 1525 N ASP A 98 3.642 -3.265 -5.023 1.00 0.00 N ATOM 1526 CA ASP A 98 5.034 -3.634 -5.267 1.00 0.00 C ATOM 1527 C ASP A 98 5.633 -2.782 -6.383 1.00 0.00 C ATOM 1528 O ASP A 98 6.767 -2.312 -6.280 1.00 0.00 O ATOM 1529 CB ASP A 98 5.137 -5.110 -5.659 1.00 0.00 C ATOM 1530 CG ASP A 98 4.604 -5.976 -4.523 1.00 0.00 C ATOM 1531 OD1 ASP A 98 3.401 -6.169 -4.466 1.00 0.00 O ATOM 1532 OD2 ASP A 98 5.406 -6.432 -3.725 1.00 0.00 O ATOM 0 H ASP A 98 2.967 -4.011 -5.190 1.00 0.00 H new ATOM 0 HA ASP A 98 5.589 -3.461 -4.345 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.568 -5.296 -6.570 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.174 -5.369 -5.872 1.00 0.00 H new ATOM 1537 N PHE A 99 4.864 -2.586 -7.451 1.00 0.00 N ATOM 1538 CA PHE A 99 5.336 -1.786 -8.583 1.00 0.00 C ATOM 1539 C PHE A 99 5.664 -0.364 -8.133 1.00 0.00 C ATOM 1540 O PHE A 99 6.781 0.118 -8.317 1.00 0.00 O ATOM 1541 CB PHE A 99 4.277 -1.723 -9.690 1.00 0.00 C ATOM 1542 CG PHE A 99 3.775 -3.113 -10.020 1.00 0.00 C ATOM 1543 CD1 PHE A 99 4.681 -4.161 -10.242 1.00 0.00 C ATOM 1544 CD2 PHE A 99 2.399 -3.352 -10.108 1.00 0.00 C ATOM 1545 CE1 PHE A 99 4.207 -5.442 -10.550 1.00 0.00 C ATOM 1546 CE2 PHE A 99 1.926 -4.632 -10.416 1.00 0.00 C ATOM 1547 CZ PHE A 99 2.830 -5.678 -10.637 1.00 0.00 C ATOM 0 H PHE A 99 3.923 -2.964 -7.559 1.00 0.00 H new ATOM 0 HA PHE A 99 6.234 -2.265 -8.972 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.445 -1.095 -9.371 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.701 -1.261 -10.582 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.744 -3.980 -10.175 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.700 -2.546 -9.938 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.904 -6.249 -10.721 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.863 -4.813 -10.483 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.465 -6.666 -10.874 1.00 0.00 H new ATOM 1557 N PHE A 100 4.675 0.299 -7.539 1.00 0.00 N ATOM 1558 CA PHE A 100 4.867 1.666 -7.062 1.00 0.00 C ATOM 1559 C PHE A 100 5.598 1.659 -5.719 1.00 0.00 C ATOM 1560 O PHE A 100 5.061 2.078 -4.692 1.00 0.00 O ATOM 1561 CB PHE A 100 3.516 2.372 -6.905 1.00 0.00 C ATOM 1562 CG PHE A 100 3.097 2.958 -8.232 1.00 0.00 C ATOM 1563 CD1 PHE A 100 3.880 3.948 -8.838 1.00 0.00 C ATOM 1564 CD2 PHE A 100 1.926 2.512 -8.857 1.00 0.00 C ATOM 1565 CE1 PHE A 100 3.491 4.493 -10.068 1.00 0.00 C ATOM 1566 CE2 PHE A 100 1.537 3.056 -10.087 1.00 0.00 C ATOM 1567 CZ PHE A 100 2.320 4.046 -10.693 1.00 0.00 C ATOM 0 H PHE A 100 3.743 -0.082 -7.378 1.00 0.00 H new ATOM 0 HA PHE A 100 5.467 2.204 -7.796 1.00 0.00 H new ATOM 0 HB2 PHE A 100 2.764 1.666 -6.553 1.00 0.00 H new ATOM 0 HB3 PHE A 100 3.590 3.159 -6.155 1.00 0.00 H new ATOM 0 HD1 PHE A 100 4.784 4.291 -8.357 1.00 0.00 H new ATOM 0 HD2 PHE A 100 1.322 1.748 -8.390 1.00 0.00 H new ATOM 0 HE1 PHE A 100 4.094 5.258 -10.535 1.00 0.00 H new ATOM 0 HE2 PHE A 100 0.633 2.712 -10.568 1.00 0.00 H new ATOM 0 HZ PHE A 100 2.021 4.465 -11.642 1.00 0.00 H new ATOM 1577 N LYS A 101 6.836 1.171 -5.742 1.00 0.00 N ATOM 1578 CA LYS A 101 7.645 1.101 -4.526 1.00 0.00 C ATOM 1579 C LYS A 101 9.087 0.736 -4.876 1.00 0.00 C ATOM 1580 O LYS A 101 10.023 1.481 -4.585 1.00 0.00 O ATOM 1581 CB LYS A 101 7.075 0.044 -3.567 1.00 0.00 C ATOM 1582 CG LYS A 101 6.438 0.726 -2.353 1.00 0.00 C ATOM 1583 CD LYS A 101 5.468 -0.244 -1.676 1.00 0.00 C ATOM 1584 CE LYS A 101 4.287 0.534 -1.094 1.00 0.00 C ATOM 1585 NZ LYS A 101 3.578 -0.256 -0.049 1.00 0.00 N ATOM 0 H LYS A 101 7.298 0.821 -6.581 1.00 0.00 H new ATOM 0 HA LYS A 101 7.623 2.077 -4.041 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.333 -0.565 -4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.868 -0.629 -3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.210 1.036 -1.649 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.910 1.628 -2.664 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.112 -0.980 -2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.980 -0.793 -0.886 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.642 1.471 -0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.591 0.792 -1.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.584 0.046 -0.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.621 -1.267 -0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.033 -0.100 0.873 1.00 0.00 H new ATOM 1599 N CYS A 102 9.247 -0.428 -5.503 1.00 0.00 N ATOM 1600 CA CYS A 102 10.571 -0.913 -5.900 1.00 0.00 C ATOM 1601 C CYS A 102 11.311 0.130 -6.737 1.00 0.00 C ATOM 1602 O CYS A 102 12.416 0.552 -6.395 1.00 0.00 O ATOM 1603 CB CYS A 102 10.428 -2.200 -6.716 1.00 0.00 C ATOM 1604 SG CYS A 102 12.056 -2.936 -6.997 1.00 0.00 S ATOM 0 H CYS A 102 8.479 -1.053 -5.747 1.00 0.00 H new ATOM 0 HA CYS A 102 11.145 -1.106 -4.994 1.00 0.00 H new ATOM 0 HB2 CYS A 102 9.787 -2.906 -6.188 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.947 -1.984 -7.670 1.00 0.00 H new ATOM 1609 N VAL A 103 10.688 0.539 -7.838 1.00 0.00 N ATOM 1610 CA VAL A 103 11.291 1.531 -8.726 1.00 0.00 C ATOM 1611 C VAL A 103 11.582 2.835 -7.977 1.00 0.00 C ATOM 1612 O VAL A 103 12.442 3.616 -8.383 1.00 0.00 O ATOM 1613 CB VAL A 103 10.360 1.827 -9.903 1.00 0.00 C ATOM 1614 CG1 VAL A 103 10.182 0.559 -10.740 1.00 0.00 C ATOM 1615 CG2 VAL A 103 8.996 2.283 -9.375 1.00 0.00 C ATOM 0 H VAL A 103 9.772 0.203 -8.136 1.00 0.00 H new ATOM 0 HA VAL A 103 12.230 1.118 -9.095 1.00 0.00 H new ATOM 0 HB VAL A 103 10.793 2.615 -10.519 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.519 0.767 -11.580 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.152 0.232 -11.116 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.749 -0.227 -10.122 1.00 0.00 H new ATOM 0 HG21 VAL A 103 8.333 2.494 -10.214 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.562 1.495 -8.759 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.121 3.185 -8.776 1.00 0.00 H new ATOM 1625 N HIS A 104 10.857 3.064 -6.880 1.00 0.00 N ATOM 1626 CA HIS A 104 11.055 4.279 -6.091 1.00 0.00 C ATOM 1627 C HIS A 104 12.169 4.106 -5.051 1.00 0.00 C ATOM 1628 O HIS A 104 12.358 4.964 -4.190 1.00 0.00 O ATOM 1629 CB HIS A 104 9.761 4.655 -5.365 1.00 0.00 C ATOM 1630 CG HIS A 104 8.914 5.520 -6.258 1.00 0.00 C ATOM 1631 ND1 HIS A 104 8.018 4.985 -7.172 1.00 0.00 N ATOM 1632 CD2 HIS A 104 8.815 6.882 -6.390 1.00 0.00 C ATOM 1633 CE1 HIS A 104 7.425 6.012 -7.806 1.00 0.00 C ATOM 1634 NE2 HIS A 104 7.874 7.191 -7.368 1.00 0.00 N ATOM 0 H HIS A 104 10.138 2.434 -6.523 1.00 0.00 H new ATOM 0 HA HIS A 104 11.343 5.069 -6.784 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.213 3.755 -5.088 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.992 5.185 -4.441 1.00 0.00 H new ATOM 0 HD2 HIS A 104 9.381 7.605 -5.821 1.00 0.00 H new ATOM 0 HE1 HIS A 104 6.676 5.897 -8.576 1.00 0.00 H new ATOM 0 HE2 HIS A 104 7.589 8.118 -7.682 1.00 0.00 H new ATOM 1642 N ASP A 105 12.909 2.996 -5.132 1.00 0.00 N ATOM 1643 CA ASP A 105 13.993 2.752 -4.184 1.00 0.00 C ATOM 1644 C ASP A 105 15.342 3.015 -4.845 1.00 0.00 C ATOM 1645 O ASP A 105 16.153 3.795 -4.348 1.00 0.00 O ATOM 1646 CB ASP A 105 13.955 1.307 -3.685 1.00 0.00 C ATOM 1647 CG ASP A 105 12.684 1.082 -2.873 1.00 0.00 C ATOM 1648 OD1 ASP A 105 12.414 1.887 -1.997 1.00 0.00 O ATOM 1649 OD2 ASP A 105 11.999 0.108 -3.138 1.00 0.00 O ATOM 0 H ASP A 105 12.779 2.266 -5.832 1.00 0.00 H new ATOM 0 HA ASP A 105 13.862 3.428 -3.339 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.986 0.619 -4.530 1.00 0.00 H new ATOM 0 HB3 ASP A 105 14.832 1.100 -3.072 1.00 0.00 H new