USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 595 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 84 CYS SG : rot -179:sc= 0.37 USER MOD Set 1.2: A 87 CYS SG : rot -60:sc= -1.59! USER MOD Set 1.3: A 105 CYS SG : rot 41:sc= 1.03 USER MOD Set 1.4: A 108 CYS SG : rot 64:sc= 1.23 USER MOD Set 2.1: A 80 THR OG1 : rot -45:sc= 0.676 USER MOD Set 2.2: A 83 THR OG1 : rot 100:sc= 0.485 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 11 SER OG : rot 180:sc= -0.395 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0.554 K(o=0.55,f=-7.6!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS :FLIP no HD1:sc=-0.00917 F(o=-0.86,f=-0.0092) USER MOD Single : A 60 GLN : amide:sc= -0.468 X(o=-0.47,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.809 K(o=-0.81,f=-1.3) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -169:sc= -0.0113 (180deg=-0.134) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -151:sc= 0.281 (180deg=0.0492) USER MOD Single : A 101 TYR OH : rot 70:sc= 0.0168 USER MOD Single : A 102 THR OG1 : rot -92:sc= 2.06 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ASN A 8 12.421 9.260 -10.912 1.00 0.00 N ATOM 97 CA ASN A 8 13.159 10.352 -10.259 1.00 0.00 C ATOM 98 C ASN A 8 12.160 11.244 -9.501 1.00 0.00 C ATOM 99 O ASN A 8 11.730 12.299 -9.994 1.00 0.00 O ATOM 100 CB ASN A 8 13.978 11.175 -11.292 1.00 0.00 C ATOM 101 CG ASN A 8 15.058 10.369 -12.020 1.00 0.00 C ATOM 102 OD1 ASN A 8 15.583 9.385 -11.499 1.00 0.00 O ATOM 103 ND2 ASN A 8 15.418 10.803 -13.217 1.00 0.00 N ATOM 0 HA ASN A 8 13.875 9.931 -9.552 1.00 0.00 H new ATOM 0 HB2 ASN A 8 13.294 11.595 -12.030 1.00 0.00 H new ATOM 0 HB3 ASN A 8 14.449 12.014 -10.780 1.00 0.00 H new ATOM 0 HD21 ASN A 8 16.151 10.319 -13.736 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.963 11.622 -13.621 1.00 0.00 H new ATOM 110 N VAL A 9 11.754 10.768 -8.308 1.00 0.00 N ATOM 111 CA VAL A 9 10.803 11.474 -7.442 1.00 0.00 C ATOM 112 C VAL A 9 11.435 12.763 -6.900 1.00 0.00 C ATOM 113 O VAL A 9 10.740 13.752 -6.732 1.00 0.00 O ATOM 114 CB VAL A 9 10.311 10.578 -6.243 1.00 0.00 C ATOM 115 CG1 VAL A 9 9.292 11.323 -5.360 1.00 0.00 C ATOM 116 CG2 VAL A 9 9.706 9.249 -6.733 1.00 0.00 C ATOM 0 H VAL A 9 12.079 9.882 -7.922 1.00 0.00 H new ATOM 0 HA VAL A 9 9.933 11.718 -8.052 1.00 0.00 H new ATOM 0 HB VAL A 9 11.192 10.353 -5.642 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.975 10.674 -4.544 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.753 12.222 -4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.425 11.601 -5.960 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.379 8.660 -5.876 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.853 9.454 -7.379 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.458 8.691 -7.291 1.00 0.00 H new ATOM 126 N GLU A 10 12.759 12.726 -6.654 1.00 0.00 N ATOM 127 CA GLU A 10 13.525 13.882 -6.152 1.00 0.00 C ATOM 128 C GLU A 10 13.560 15.030 -7.177 1.00 0.00 C ATOM 129 O GLU A 10 13.634 16.197 -6.790 1.00 0.00 O ATOM 130 CB GLU A 10 14.956 13.443 -5.770 1.00 0.00 C ATOM 131 CG GLU A 10 15.017 12.496 -4.555 1.00 0.00 C ATOM 132 CD GLU A 10 16.424 11.934 -4.301 1.00 0.00 C ATOM 133 OE1 GLU A 10 17.225 12.581 -3.589 1.00 0.00 O ATOM 134 OE2 GLU A 10 16.745 10.859 -4.851 1.00 0.00 O ATOM 0 H GLU A 10 13.328 11.892 -6.798 1.00 0.00 H new ATOM 0 HA GLU A 10 13.021 14.260 -5.262 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.414 12.949 -6.627 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.553 14.330 -5.557 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.680 13.031 -3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.324 11.669 -4.711 1.00 0.00 H new ATOM 141 N SER A 11 13.508 14.688 -8.477 1.00 0.00 N ATOM 142 CA SER A 11 13.396 15.679 -9.554 1.00 0.00 C ATOM 143 C SER A 11 12.040 16.398 -9.470 1.00 0.00 C ATOM 144 O SER A 11 11.971 17.625 -9.578 1.00 0.00 O ATOM 145 CB SER A 11 13.571 14.998 -10.925 1.00 0.00 C ATOM 146 OG SER A 11 14.824 14.335 -11.002 1.00 0.00 O ATOM 0 H SER A 11 13.542 13.723 -8.805 1.00 0.00 H new ATOM 0 HA SER A 11 14.186 16.420 -9.438 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.765 14.282 -11.086 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.499 15.743 -11.718 1.00 0.00 H new ATOM 0 HG SER A 11 14.915 13.908 -11.879 1.00 0.00 H new ATOM 152 N TYR A 12 10.976 15.603 -9.246 1.00 0.00 N ATOM 153 CA TYR A 12 9.612 16.118 -9.055 1.00 0.00 C ATOM 154 C TYR A 12 9.510 16.892 -7.736 1.00 0.00 C ATOM 155 O TYR A 12 8.824 17.894 -7.656 1.00 0.00 O ATOM 156 CB TYR A 12 8.577 14.965 -9.088 1.00 0.00 C ATOM 157 CG TYR A 12 8.550 14.176 -10.409 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.580 14.833 -11.644 1.00 0.00 C ATOM 159 CD2 TYR A 12 8.464 12.779 -10.423 1.00 0.00 C ATOM 160 CE1 TYR A 12 8.547 14.131 -12.829 1.00 0.00 C ATOM 161 CE2 TYR A 12 8.432 12.076 -11.610 1.00 0.00 C ATOM 162 CZ TYR A 12 8.464 12.755 -12.809 1.00 0.00 C ATOM 163 OH TYR A 12 8.425 12.049 -13.991 1.00 0.00 O ATOM 0 H TYR A 12 11.041 14.586 -9.193 1.00 0.00 H new ATOM 0 HA TYR A 12 9.388 16.800 -9.876 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.792 14.276 -8.271 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.585 15.378 -8.904 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.630 15.912 -11.669 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.422 12.241 -9.487 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.586 14.657 -13.771 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.382 10.997 -11.600 1.00 0.00 H new ATOM 0 HH TYR A 12 8.368 11.090 -13.797 1.00 0.00 H new ATOM 173 N GLU A 13 10.242 16.426 -6.723 1.00 0.00 N ATOM 174 CA GLU A 13 10.231 16.983 -5.380 1.00 0.00 C ATOM 175 C GLU A 13 10.760 18.426 -5.421 1.00 0.00 C ATOM 176 O GLU A 13 10.058 19.357 -5.039 1.00 0.00 O ATOM 177 CB GLU A 13 11.105 16.053 -4.483 1.00 0.00 C ATOM 178 CG GLU A 13 10.839 16.099 -2.971 1.00 0.00 C ATOM 179 CD GLU A 13 11.341 17.365 -2.252 1.00 0.00 C ATOM 180 OE1 GLU A 13 12.440 17.867 -2.587 1.00 0.00 O ATOM 181 OE2 GLU A 13 10.652 17.846 -1.329 1.00 0.00 O ATOM 0 H GLU A 13 10.873 15.631 -6.822 1.00 0.00 H new ATOM 0 HA GLU A 13 9.224 17.028 -4.966 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.966 15.026 -4.821 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.152 16.305 -4.651 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.766 16.008 -2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.307 15.229 -2.510 1.00 0.00 H new ATOM 188 N LYS A 14 11.976 18.590 -5.971 1.00 0.00 N ATOM 189 CA LYS A 14 12.692 19.875 -5.969 1.00 0.00 C ATOM 190 C LYS A 14 12.047 20.904 -6.918 1.00 0.00 C ATOM 191 O LYS A 14 12.047 22.107 -6.614 1.00 0.00 O ATOM 192 CB LYS A 14 14.184 19.691 -6.333 1.00 0.00 C ATOM 193 CG LYS A 14 14.479 19.262 -7.796 1.00 0.00 C ATOM 194 CD LYS A 14 15.942 19.543 -8.193 1.00 0.00 C ATOM 195 CE LYS A 14 16.286 21.048 -8.156 1.00 0.00 C ATOM 196 NZ LYS A 14 17.743 21.292 -8.280 1.00 0.00 N ATOM 0 H LYS A 14 12.488 17.836 -6.428 1.00 0.00 H new ATOM 0 HA LYS A 14 12.621 20.262 -4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.703 20.629 -6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.612 18.945 -5.663 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.269 18.199 -7.912 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.810 19.795 -8.472 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.608 19.005 -7.519 1.00 0.00 H new ATOM 0 HD3 LYS A 14 16.124 19.157 -9.196 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.764 21.558 -8.965 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.925 21.479 -7.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.927 22.315 -8.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.241 20.827 -7.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 18.084 20.905 -9.183 1.00 0.00 H new ATOM 210 N ILE A 15 11.510 20.432 -8.071 1.00 0.00 N ATOM 211 CA ILE A 15 10.836 21.323 -9.044 1.00 0.00 C ATOM 212 C ILE A 15 9.556 21.898 -8.407 1.00 0.00 C ATOM 213 O ILE A 15 9.208 23.048 -8.647 1.00 0.00 O ATOM 214 CB ILE A 15 10.515 20.605 -10.427 1.00 0.00 C ATOM 215 CG1 ILE A 15 10.160 21.640 -11.550 1.00 0.00 C ATOM 216 CG2 ILE A 15 9.381 19.561 -10.292 1.00 0.00 C ATOM 217 CD1 ILE A 15 9.886 21.023 -12.920 1.00 0.00 C ATOM 0 H ILE A 15 11.531 19.450 -8.346 1.00 0.00 H new ATOM 0 HA ILE A 15 11.525 22.133 -9.283 1.00 0.00 H new ATOM 0 HB ILE A 15 11.426 20.080 -10.716 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.282 22.207 -11.239 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.981 22.350 -11.644 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.197 19.097 -11.261 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.674 18.796 -9.573 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.472 20.054 -9.947 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.649 21.812 -13.634 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.769 20.481 -13.258 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.044 20.335 -12.847 1.00 0.00 H new ATOM 229 N LEU A 16 8.901 21.078 -7.550 1.00 0.00 N ATOM 230 CA LEU A 16 7.698 21.470 -6.792 1.00 0.00 C ATOM 231 C LEU A 16 8.049 22.392 -5.609 1.00 0.00 C ATOM 232 O LEU A 16 7.255 23.262 -5.259 1.00 0.00 O ATOM 233 CB LEU A 16 6.955 20.209 -6.285 1.00 0.00 C ATOM 234 CG LEU A 16 6.198 19.370 -7.359 1.00 0.00 C ATOM 235 CD1 LEU A 16 5.582 18.096 -6.739 1.00 0.00 C ATOM 236 CD2 LEU A 16 5.132 20.215 -8.081 1.00 0.00 C ATOM 0 H LEU A 16 9.199 20.120 -7.367 1.00 0.00 H new ATOM 0 HA LEU A 16 7.046 22.027 -7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.680 19.560 -5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.237 20.518 -5.525 1.00 0.00 H new ATOM 0 HG LEU A 16 6.926 19.055 -8.106 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.060 17.531 -7.512 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.373 17.480 -6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.877 18.376 -5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.622 19.601 -8.823 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.407 20.584 -7.355 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.611 21.060 -8.576 1.00 0.00 H new ATOM 248 N ARG A 17 9.224 22.173 -4.990 1.00 0.00 N ATOM 249 CA ARG A 17 9.747 23.047 -3.916 1.00 0.00 C ATOM 250 C ARG A 17 9.883 24.489 -4.437 1.00 0.00 C ATOM 251 O ARG A 17 9.370 25.421 -3.831 1.00 0.00 O ATOM 252 CB ARG A 17 11.124 22.538 -3.402 1.00 0.00 C ATOM 253 CG ARG A 17 11.115 21.170 -2.659 1.00 0.00 C ATOM 254 CD ARG A 17 10.924 21.267 -1.128 1.00 0.00 C ATOM 255 NE ARG A 17 9.541 21.595 -0.708 1.00 0.00 N ATOM 256 CZ ARG A 17 8.754 20.799 0.051 1.00 0.00 C ATOM 257 NH1 ARG A 17 9.107 19.552 0.324 1.00 0.00 N ATOM 258 NH2 ARG A 17 7.594 21.243 0.504 1.00 0.00 N ATOM 0 H ARG A 17 9.837 21.390 -5.217 1.00 0.00 H new ATOM 0 HA ARG A 17 9.043 23.025 -3.084 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.801 22.462 -4.253 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.539 23.290 -2.731 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.317 20.553 -3.072 1.00 0.00 H new ATOM 0 HG3 ARG A 17 12.054 20.655 -2.862 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.214 20.318 -0.676 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.601 22.026 -0.736 1.00 0.00 H new ATOM 0 HE ARG A 17 9.154 22.488 -1.014 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.984 19.179 -0.040 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.502 18.965 0.898 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.288 22.190 0.281 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.005 20.638 1.076 1.00 0.00 H new ATOM 272 N ASP A 18 10.530 24.644 -5.604 1.00 0.00 N ATOM 273 CA ASP A 18 10.762 25.962 -6.226 1.00 0.00 C ATOM 274 C ASP A 18 9.484 26.514 -6.854 1.00 0.00 C ATOM 275 O ASP A 18 9.317 27.737 -6.939 1.00 0.00 O ATOM 276 CB ASP A 18 11.892 25.883 -7.285 1.00 0.00 C ATOM 277 CG ASP A 18 13.291 25.934 -6.662 1.00 0.00 C ATOM 278 OD1 ASP A 18 13.607 26.959 -6.003 1.00 0.00 O ATOM 279 OD2 ASP A 18 14.070 24.971 -6.806 1.00 0.00 O ATOM 0 H ASP A 18 10.906 23.864 -6.142 1.00 0.00 H new ATOM 0 HA ASP A 18 11.073 26.646 -5.436 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.786 24.960 -7.855 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.782 26.707 -7.990 1.00 0.00 H new ATOM 284 N ARG A 19 8.585 25.609 -7.277 1.00 0.00 N ATOM 285 CA ARG A 19 7.329 25.999 -7.935 1.00 0.00 C ATOM 286 C ARG A 19 6.376 26.632 -6.917 1.00 0.00 C ATOM 287 O ARG A 19 5.730 27.634 -7.202 1.00 0.00 O ATOM 288 CB ARG A 19 6.649 24.785 -8.650 1.00 0.00 C ATOM 289 CG ARG A 19 6.001 25.148 -9.996 1.00 0.00 C ATOM 290 CD ARG A 19 7.062 25.612 -11.015 1.00 0.00 C ATOM 291 NE ARG A 19 6.453 26.186 -12.227 1.00 0.00 N ATOM 292 CZ ARG A 19 6.241 25.536 -13.377 1.00 0.00 C ATOM 293 NH1 ARG A 19 6.581 24.256 -13.522 1.00 0.00 N ATOM 294 NH2 ARG A 19 5.680 26.178 -14.391 1.00 0.00 N ATOM 0 H ARG A 19 8.706 24.601 -7.174 1.00 0.00 H new ATOM 0 HA ARG A 19 7.567 26.735 -8.703 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.394 24.006 -8.813 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.888 24.366 -7.991 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.466 24.284 -10.391 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.265 25.938 -9.848 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.711 26.354 -10.550 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.692 24.767 -11.292 1.00 0.00 H new ATOM 0 HE ARG A 19 6.168 27.165 -12.186 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.012 23.752 -12.747 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.410 23.780 -14.408 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.415 27.158 -14.290 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.514 25.693 -15.273 1.00 0.00 H new ATOM 308 N GLN A 20 6.311 26.031 -5.720 1.00 0.00 N ATOM 309 CA GLN A 20 5.493 26.554 -4.622 1.00 0.00 C ATOM 310 C GLN A 20 6.139 27.823 -4.057 1.00 0.00 C ATOM 311 O GLN A 20 5.429 28.679 -3.591 1.00 0.00 O ATOM 312 CB GLN A 20 5.275 25.487 -3.507 1.00 0.00 C ATOM 313 CG GLN A 20 6.453 25.302 -2.526 1.00 0.00 C ATOM 314 CD GLN A 20 6.309 24.124 -1.562 1.00 0.00 C ATOM 315 OE1 GLN A 20 7.306 23.549 -1.140 1.00 0.00 O ATOM 316 NE2 GLN A 20 5.081 23.759 -1.193 1.00 0.00 N ATOM 0 H GLN A 20 6.819 25.177 -5.489 1.00 0.00 H new ATOM 0 HA GLN A 20 4.508 26.804 -5.015 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.388 25.760 -2.935 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.066 24.528 -3.981 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.369 25.172 -3.102 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.570 26.216 -1.944 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.269 24.256 -1.560 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.953 22.983 -0.543 1.00 0.00 H new ATOM 325 N ARG A 21 7.495 27.925 -4.117 1.00 0.00 N ATOM 326 CA ARG A 21 8.240 29.104 -3.612 1.00 0.00 C ATOM 327 C ARG A 21 7.982 30.357 -4.465 1.00 0.00 C ATOM 328 O ARG A 21 7.764 31.435 -3.911 1.00 0.00 O ATOM 329 CB ARG A 21 9.770 28.829 -3.521 1.00 0.00 C ATOM 330 CG ARG A 21 10.191 27.980 -2.305 1.00 0.00 C ATOM 331 CD ARG A 21 11.719 27.906 -2.116 1.00 0.00 C ATOM 332 NE ARG A 21 12.403 27.016 -3.076 1.00 0.00 N ATOM 333 CZ ARG A 21 12.933 25.820 -2.760 1.00 0.00 C ATOM 334 NH1 ARG A 21 12.653 25.233 -1.611 1.00 0.00 N ATOM 335 NH2 ARG A 21 13.715 25.201 -3.615 1.00 0.00 N ATOM 0 H ARG A 21 8.093 27.200 -4.513 1.00 0.00 H new ATOM 0 HA ARG A 21 7.864 29.292 -2.606 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.091 28.323 -4.431 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.297 29.782 -3.484 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.740 28.397 -1.405 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.796 26.971 -2.421 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.135 28.909 -2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.933 27.564 -1.104 1.00 0.00 H new ATOM 0 HE ARG A 21 12.479 27.329 -4.044 1.00 0.00 H new ATOM 0 HH11 ARG A 21 12.026 25.686 -0.946 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.064 24.326 -1.388 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.921 25.627 -4.519 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.117 24.295 -3.375 1.00 0.00 H new ATOM 349 N GLU A 22 8.048 30.209 -5.803 1.00 0.00 N ATOM 350 CA GLU A 22 7.764 31.325 -6.744 1.00 0.00 C ATOM 351 C GLU A 22 6.297 31.781 -6.611 1.00 0.00 C ATOM 352 O GLU A 22 6.014 32.985 -6.657 1.00 0.00 O ATOM 353 CB GLU A 22 8.102 30.958 -8.218 1.00 0.00 C ATOM 354 CG GLU A 22 7.252 29.826 -8.817 1.00 0.00 C ATOM 355 CD GLU A 22 7.563 29.536 -10.289 1.00 0.00 C ATOM 356 OE1 GLU A 22 7.024 30.244 -11.168 1.00 0.00 O ATOM 357 OE2 GLU A 22 8.333 28.605 -10.574 1.00 0.00 O ATOM 0 H GLU A 22 8.294 29.332 -6.261 1.00 0.00 H new ATOM 0 HA GLU A 22 8.416 32.154 -6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.981 31.848 -8.835 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.152 30.672 -8.274 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.410 28.918 -8.235 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.198 30.086 -8.722 1.00 0.00 H new ATOM 364 N LEU A 23 5.380 30.805 -6.412 1.00 0.00 N ATOM 365 CA LEU A 23 3.970 31.104 -6.121 1.00 0.00 C ATOM 366 C LEU A 23 3.857 31.820 -4.782 1.00 0.00 C ATOM 367 O LEU A 23 3.237 32.857 -4.710 1.00 0.00 O ATOM 368 CB LEU A 23 3.090 29.830 -6.090 1.00 0.00 C ATOM 369 CG LEU A 23 2.941 29.036 -7.417 1.00 0.00 C ATOM 370 CD1 LEU A 23 2.015 27.819 -7.217 1.00 0.00 C ATOM 371 CD2 LEU A 23 2.457 29.939 -8.572 1.00 0.00 C ATOM 0 H LEU A 23 5.597 29.809 -6.449 1.00 0.00 H new ATOM 0 HA LEU A 23 3.607 31.742 -6.927 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.499 29.156 -5.337 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.093 30.116 -5.754 1.00 0.00 H new ATOM 0 HG LEU A 23 3.926 28.666 -7.701 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.922 27.274 -8.157 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.437 27.162 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.031 28.160 -6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.365 29.347 -9.483 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.487 30.366 -8.318 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.177 30.742 -8.732 1.00 0.00 H new ATOM 383 N TYR A 24 4.519 31.264 -3.754 1.00 0.00 N ATOM 384 CA TYR A 24 4.431 31.740 -2.358 1.00 0.00 C ATOM 385 C TYR A 24 4.838 33.217 -2.257 1.00 0.00 C ATOM 386 O TYR A 24 4.136 33.995 -1.649 1.00 0.00 O ATOM 387 CB TYR A 24 5.296 30.854 -1.389 1.00 0.00 C ATOM 388 CG TYR A 24 4.532 29.750 -0.629 1.00 0.00 C ATOM 389 CD1 TYR A 24 3.385 30.051 0.098 1.00 0.00 C ATOM 390 CD2 TYR A 24 4.986 28.421 -0.592 1.00 0.00 C ATOM 391 CE1 TYR A 24 2.714 29.085 0.817 1.00 0.00 C ATOM 392 CE2 TYR A 24 4.310 27.448 0.123 1.00 0.00 C ATOM 393 CZ TYR A 24 3.175 27.789 0.831 1.00 0.00 C ATOM 394 OH TYR A 24 2.493 26.831 1.557 1.00 0.00 O ATOM 0 H TYR A 24 5.138 30.462 -3.867 1.00 0.00 H new ATOM 0 HA TYR A 24 3.391 31.649 -2.046 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.092 30.386 -1.968 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.774 31.507 -0.659 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.012 31.064 0.099 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.882 28.153 -1.133 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.824 29.346 1.371 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.668 26.429 0.127 1.00 0.00 H new ATOM 0 HH TYR A 24 2.945 25.967 1.464 1.00 0.00 H new ATOM 404 N ARG A 25 5.954 33.584 -2.896 1.00 0.00 N ATOM 405 CA ARG A 25 6.469 34.975 -2.877 1.00 0.00 C ATOM 406 C ARG A 25 5.584 35.915 -3.733 1.00 0.00 C ATOM 407 O ARG A 25 5.503 37.118 -3.456 1.00 0.00 O ATOM 408 CB ARG A 25 7.948 35.002 -3.350 1.00 0.00 C ATOM 409 CG ARG A 25 8.171 34.655 -4.838 1.00 0.00 C ATOM 410 CD ARG A 25 9.651 34.423 -5.191 1.00 0.00 C ATOM 411 NE ARG A 25 10.183 33.186 -4.566 1.00 0.00 N ATOM 412 CZ ARG A 25 11.183 33.130 -3.668 1.00 0.00 C ATOM 413 NH1 ARG A 25 11.711 34.238 -3.162 1.00 0.00 N ATOM 414 NH2 ARG A 25 11.627 31.949 -3.242 1.00 0.00 N ATOM 0 H ARG A 25 6.528 32.939 -3.439 1.00 0.00 H new ATOM 0 HA ARG A 25 6.429 35.344 -1.852 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.355 35.995 -3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.520 34.302 -2.741 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.601 33.760 -5.085 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.779 35.463 -5.456 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.760 34.358 -6.274 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.241 35.278 -4.862 1.00 0.00 H new ATOM 0 HE ARG A 25 9.753 32.303 -4.841 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.359 35.150 -3.453 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.469 34.177 -2.482 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.209 31.089 -3.597 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.385 31.905 -2.561 1.00 0.00 H new ATOM 428 N ARG A 26 4.927 35.343 -4.767 1.00 0.00 N ATOM 429 CA ARG A 26 3.972 36.069 -5.624 1.00 0.00 C ATOM 430 C ARG A 26 2.691 36.445 -4.843 1.00 0.00 C ATOM 431 O ARG A 26 2.338 37.623 -4.739 1.00 0.00 O ATOM 432 CB ARG A 26 3.632 35.189 -6.859 1.00 0.00 C ATOM 433 CG ARG A 26 2.529 35.734 -7.789 1.00 0.00 C ATOM 434 CD ARG A 26 2.258 34.806 -8.985 1.00 0.00 C ATOM 435 NE ARG A 26 3.472 34.595 -9.797 1.00 0.00 N ATOM 436 CZ ARG A 26 3.720 33.521 -10.562 1.00 0.00 C ATOM 437 NH1 ARG A 26 2.834 32.533 -10.655 1.00 0.00 N ATOM 438 NH2 ARG A 26 4.856 33.443 -11.233 1.00 0.00 N ATOM 0 H ARG A 26 5.046 34.364 -5.028 1.00 0.00 H new ATOM 0 HA ARG A 26 4.428 37.001 -5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.541 35.053 -7.445 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.329 34.203 -6.506 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.609 35.865 -7.219 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.820 36.718 -8.155 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.890 33.846 -8.624 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.473 35.235 -9.608 1.00 0.00 H new ATOM 0 HE ARG A 26 4.182 35.327 -9.775 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.954 32.587 -10.141 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.034 31.722 -11.240 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.540 34.197 -11.168 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.049 32.629 -11.816 1.00 0.00 H new ATOM 452 N LEU A 27 2.023 35.431 -4.266 1.00 0.00 N ATOM 453 CA LEU A 27 0.697 35.587 -3.632 1.00 0.00 C ATOM 454 C LEU A 27 0.816 36.158 -2.209 1.00 0.00 C ATOM 455 O LEU A 27 -0.093 36.844 -1.735 1.00 0.00 O ATOM 456 CB LEU A 27 -0.108 34.245 -3.709 1.00 0.00 C ATOM 457 CG LEU A 27 0.573 32.921 -3.211 1.00 0.00 C ATOM 458 CD1 LEU A 27 0.634 32.792 -1.684 1.00 0.00 C ATOM 459 CD2 LEU A 27 -0.100 31.686 -3.831 1.00 0.00 C ATOM 0 H LEU A 27 2.385 34.478 -4.225 1.00 0.00 H new ATOM 0 HA LEU A 27 0.121 36.325 -4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.026 34.378 -3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.399 34.095 -4.749 1.00 0.00 H new ATOM 0 HG LEU A 27 1.607 32.976 -3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.118 31.852 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.205 33.624 -1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.377 32.808 -1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.392 30.783 -3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.152 31.664 -3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.017 31.733 -4.917 1.00 0.00 H new ATOM 471 N HIS A 28 1.975 35.933 -1.553 1.00 0.00 N ATOM 472 CA HIS A 28 2.320 36.603 -0.276 1.00 0.00 C ATOM 473 C HIS A 28 2.998 37.970 -0.557 1.00 0.00 C ATOM 474 O HIS A 28 3.850 38.413 0.197 1.00 0.00 O ATOM 475 CB HIS A 28 3.222 35.715 0.632 1.00 0.00 C ATOM 476 CG HIS A 28 2.513 34.609 1.370 1.00 0.00 C ATOM 477 ND1 HIS A 28 2.430 33.285 1.131 1.00 0.00 N flip ATOM 478 CD2 HIS A 28 1.812 34.820 2.532 1.00 0.00 C flip ATOM 479 CE1 HIS A 28 1.695 32.724 2.143 1.00 0.00 C flip ATOM 480 NE2 HIS A 28 1.337 33.676 2.978 1.00 0.00 N flip ATOM 0 H HIS A 28 2.692 35.289 -1.887 1.00 0.00 H new ATOM 0 HA HIS A 28 1.391 36.770 0.269 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.004 35.273 0.015 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.716 36.356 1.362 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.672 35.779 3.008 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.451 31.676 2.239 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.785 33.549 3.826 1.00 0.00 H new ATOM 932 N LEU A 58 -4.114 36.474 -1.298 1.00 0.00 N ATOM 933 CA LEU A 58 -3.148 35.656 -2.039 1.00 0.00 C ATOM 934 C LEU A 58 -3.470 35.675 -3.555 1.00 0.00 C ATOM 935 O LEU A 58 -2.920 36.501 -4.297 1.00 0.00 O ATOM 936 CB LEU A 58 -3.090 34.209 -1.479 1.00 0.00 C ATOM 937 CG LEU A 58 -2.773 34.042 0.045 1.00 0.00 C ATOM 938 CD1 LEU A 58 -2.610 32.547 0.414 1.00 0.00 C ATOM 939 CD2 LEU A 58 -1.544 34.874 0.492 1.00 0.00 C ATOM 0 HA LEU A 58 -2.157 36.089 -1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.049 33.731 -1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.337 33.659 -2.043 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.628 34.438 0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.390 32.457 1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.533 32.014 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.792 32.117 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.369 34.721 1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.666 34.556 -0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.732 35.931 0.303 1.00 0.00 H new ATOM 951 N GLY A 59 -4.381 34.790 -4.000 1.00 0.00 N ATOM 952 CA GLY A 59 -4.752 34.684 -5.418 1.00 0.00 C ATOM 953 C GLY A 59 -5.195 33.271 -5.786 1.00 0.00 C ATOM 954 O GLY A 59 -4.564 32.307 -5.365 1.00 0.00 O ATOM 0 H GLY A 59 -4.874 34.136 -3.392 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.557 35.385 -5.636 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.903 34.971 -6.038 1.00 0.00 H new ATOM 958 N GLN A 60 -6.248 33.164 -6.620 1.00 0.00 N ATOM 959 CA GLN A 60 -6.948 31.893 -6.943 1.00 0.00 C ATOM 960 C GLN A 60 -6.004 30.807 -7.532 1.00 0.00 C ATOM 961 O GLN A 60 -5.778 29.771 -6.904 1.00 0.00 O ATOM 962 CB GLN A 60 -8.111 32.200 -7.928 1.00 0.00 C ATOM 963 CG GLN A 60 -9.012 30.996 -8.269 1.00 0.00 C ATOM 964 CD GLN A 60 -10.153 31.315 -9.250 1.00 0.00 C ATOM 965 OE1 GLN A 60 -10.569 30.458 -10.024 1.00 0.00 O ATOM 966 NE2 GLN A 60 -10.692 32.528 -9.201 1.00 0.00 N ATOM 0 H GLN A 60 -6.648 33.970 -7.100 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.334 31.478 -6.012 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.730 32.988 -7.500 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -7.689 32.592 -8.853 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.395 30.204 -8.694 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.441 30.606 -7.346 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -10.327 33.222 -8.548 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.470 32.765 -9.816 1.00 0.00 H new ATOM 975 N VAL A 61 -5.436 31.097 -8.721 1.00 0.00 N ATOM 976 CA VAL A 61 -4.548 30.168 -9.480 1.00 0.00 C ATOM 977 C VAL A 61 -3.308 29.800 -8.650 1.00 0.00 C ATOM 978 O VAL A 61 -2.811 28.669 -8.722 1.00 0.00 O ATOM 979 CB VAL A 61 -4.121 30.827 -10.855 1.00 0.00 C ATOM 980 CG1 VAL A 61 -3.220 29.894 -11.698 1.00 0.00 C ATOM 981 CG2 VAL A 61 -5.366 31.272 -11.667 1.00 0.00 C ATOM 0 H VAL A 61 -5.577 31.990 -9.193 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.100 29.251 -9.687 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.530 31.711 -10.614 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.954 30.391 -12.631 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.313 29.662 -11.139 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.757 28.971 -11.918 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.046 31.721 -12.607 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.994 30.405 -11.874 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.934 32.002 -11.091 1.00 0.00 H new ATOM 991 N GLY A 62 -2.845 30.771 -7.843 1.00 0.00 N ATOM 992 CA GLY A 62 -1.724 30.581 -6.949 1.00 0.00 C ATOM 993 C GLY A 62 -2.022 29.533 -5.884 1.00 0.00 C ATOM 994 O GLY A 62 -1.306 28.556 -5.793 1.00 0.00 O ATOM 0 H GLY A 62 -3.249 31.707 -7.804 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.849 30.277 -7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.477 31.528 -6.469 1.00 0.00 H new ATOM 998 N GLN A 63 -3.130 29.732 -5.134 1.00 0.00 N ATOM 999 CA GLN A 63 -3.517 28.892 -3.967 1.00 0.00 C ATOM 1000 C GLN A 63 -3.914 27.469 -4.386 1.00 0.00 C ATOM 1001 O GLN A 63 -3.629 26.502 -3.671 1.00 0.00 O ATOM 1002 CB GLN A 63 -4.698 29.555 -3.209 1.00 0.00 C ATOM 1003 CG GLN A 63 -4.357 30.904 -2.562 1.00 0.00 C ATOM 1004 CD GLN A 63 -5.574 31.604 -1.945 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -6.262 32.380 -2.609 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -5.838 31.342 -0.675 1.00 0.00 N ATOM 0 H GLN A 63 -3.790 30.487 -5.320 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.646 28.818 -3.316 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.526 29.698 -3.904 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.046 28.872 -2.434 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.605 30.749 -1.789 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.912 31.557 -3.313 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.247 30.694 -0.154 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.632 31.788 -0.217 1.00 0.00 H new ATOM 1015 N ASP A 64 -4.592 27.373 -5.536 1.00 0.00 N ATOM 1016 CA ASP A 64 -5.078 26.089 -6.092 1.00 0.00 C ATOM 1017 C ASP A 64 -3.902 25.217 -6.530 1.00 0.00 C ATOM 1018 O ASP A 64 -3.852 24.019 -6.214 1.00 0.00 O ATOM 1019 CB ASP A 64 -6.061 26.315 -7.283 1.00 0.00 C ATOM 1020 CG ASP A 64 -7.469 26.753 -6.837 1.00 0.00 C ATOM 1021 OD1 ASP A 64 -8.112 25.995 -6.074 1.00 0.00 O ATOM 1022 OD2 ASP A 64 -7.950 27.833 -7.248 1.00 0.00 O ATOM 0 H ASP A 64 -4.823 28.181 -6.114 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.625 25.573 -5.303 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.646 27.072 -7.948 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.140 25.393 -7.859 1.00 0.00 H new ATOM 1027 N GLU A 65 -2.948 25.841 -7.247 1.00 0.00 N ATOM 1028 CA GLU A 65 -1.735 25.153 -7.705 1.00 0.00 C ATOM 1029 C GLU A 65 -0.818 24.843 -6.507 1.00 0.00 C ATOM 1030 O GLU A 65 -0.197 23.793 -6.468 1.00 0.00 O ATOM 1031 CB GLU A 65 -0.989 25.999 -8.768 1.00 0.00 C ATOM 1032 CG GLU A 65 0.122 25.223 -9.501 1.00 0.00 C ATOM 1033 CD GLU A 65 0.871 26.036 -10.566 1.00 0.00 C ATOM 1034 OE1 GLU A 65 0.343 26.179 -11.688 1.00 0.00 O ATOM 1035 OE2 GLU A 65 1.980 26.536 -10.292 1.00 0.00 O ATOM 0 H GLU A 65 -2.998 26.823 -7.520 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.025 24.212 -8.172 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.709 26.366 -9.500 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.553 26.873 -8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.841 24.862 -8.766 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.317 24.345 -9.975 1.00 0.00 H new ATOM 1042 N LEU A 66 -0.809 25.761 -5.524 1.00 0.00 N ATOM 1043 CA LEU A 66 0.009 25.675 -4.287 1.00 0.00 C ATOM 1044 C LEU A 66 -0.359 24.413 -3.485 1.00 0.00 C ATOM 1045 O LEU A 66 0.517 23.686 -3.018 1.00 0.00 O ATOM 1046 CB LEU A 66 -0.270 26.939 -3.424 1.00 0.00 C ATOM 1047 CG LEU A 66 0.829 27.438 -2.443 1.00 0.00 C ATOM 1048 CD1 LEU A 66 2.105 27.856 -3.191 1.00 0.00 C ATOM 1049 CD2 LEU A 66 0.262 28.605 -1.597 1.00 0.00 C ATOM 0 H LEU A 66 -1.381 26.605 -5.562 1.00 0.00 H new ATOM 0 HA LEU A 66 1.065 25.620 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.500 27.758 -4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.170 26.747 -2.840 1.00 0.00 H new ATOM 0 HG LEU A 66 1.111 26.620 -1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.851 28.199 -2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.498 27.003 -3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.872 28.663 -3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.028 28.960 -0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.038 29.420 -2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.603 28.258 -1.032 1.00 0.00 H new ATOM 1061 N ARG A 67 -1.685 24.206 -3.341 1.00 0.00 N ATOM 1062 CA ARG A 67 -2.276 23.054 -2.635 1.00 0.00 C ATOM 1063 C ARG A 67 -1.987 21.748 -3.391 1.00 0.00 C ATOM 1064 O ARG A 67 -1.704 20.722 -2.774 1.00 0.00 O ATOM 1065 CB ARG A 67 -3.814 23.263 -2.473 1.00 0.00 C ATOM 1066 CG ARG A 67 -4.584 22.040 -1.919 1.00 0.00 C ATOM 1067 CD ARG A 67 -6.100 22.273 -1.825 1.00 0.00 C ATOM 1068 NE ARG A 67 -6.826 21.016 -1.566 1.00 0.00 N ATOM 1069 CZ ARG A 67 -8.122 20.925 -1.233 1.00 0.00 C ATOM 1070 NH1 ARG A 67 -8.848 22.015 -1.004 1.00 0.00 N ATOM 1071 NH2 ARG A 67 -8.692 19.735 -1.126 1.00 0.00 N ATOM 0 H ARG A 67 -2.384 24.846 -3.719 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.824 22.980 -1.646 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.983 24.111 -1.809 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.234 23.529 -3.443 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.394 21.178 -2.559 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.198 21.793 -0.930 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.311 22.987 -1.028 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.459 22.717 -2.754 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.300 20.146 -1.647 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.420 22.938 -1.081 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.832 21.928 -0.752 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.146 18.891 -1.297 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.677 19.662 -0.873 1.00 0.00 H new ATOM 1085 N ALA A 68 -2.066 21.815 -4.732 1.00 0.00 N ATOM 1086 CA ALA A 68 -1.807 20.668 -5.626 1.00 0.00 C ATOM 1087 C ALA A 68 -0.340 20.205 -5.514 1.00 0.00 C ATOM 1088 O ALA A 68 -0.049 19.000 -5.503 1.00 0.00 O ATOM 1089 CB ALA A 68 -2.155 21.055 -7.071 1.00 0.00 C ATOM 0 H ALA A 68 -2.313 22.670 -5.230 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.438 19.832 -5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.964 20.208 -7.730 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.208 21.331 -7.130 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.541 21.901 -7.379 1.00 0.00 H new ATOM 1095 N ILE A 69 0.562 21.201 -5.417 1.00 0.00 N ATOM 1096 CA ILE A 69 2.005 20.998 -5.224 1.00 0.00 C ATOM 1097 C ILE A 69 2.263 20.391 -3.835 1.00 0.00 C ATOM 1098 O ILE A 69 3.010 19.425 -3.704 1.00 0.00 O ATOM 1099 CB ILE A 69 2.775 22.373 -5.382 1.00 0.00 C ATOM 1100 CG1 ILE A 69 2.715 22.889 -6.860 1.00 0.00 C ATOM 1101 CG2 ILE A 69 4.235 22.271 -4.906 1.00 0.00 C ATOM 1102 CD1 ILE A 69 3.287 24.280 -7.090 1.00 0.00 C ATOM 0 H ILE A 69 0.300 22.185 -5.472 1.00 0.00 H new ATOM 0 HA ILE A 69 2.375 20.308 -5.983 1.00 0.00 H new ATOM 0 HB ILE A 69 2.268 23.096 -4.743 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.252 22.184 -7.495 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.675 22.884 -7.187 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.727 23.236 -5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.256 21.987 -3.854 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.758 21.518 -5.495 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.197 24.541 -8.144 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.737 25.004 -6.489 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.338 24.293 -6.802 1.00 0.00 H new ATOM 1114 N ASP A 70 1.600 20.970 -2.824 1.00 0.00 N ATOM 1115 CA ASP A 70 1.737 20.572 -1.412 1.00 0.00 C ATOM 1116 C ASP A 70 1.218 19.138 -1.182 1.00 0.00 C ATOM 1117 O ASP A 70 1.751 18.411 -0.349 1.00 0.00 O ATOM 1118 CB ASP A 70 0.978 21.590 -0.519 1.00 0.00 C ATOM 1119 CG ASP A 70 1.078 21.298 0.988 1.00 0.00 C ATOM 1120 OD1 ASP A 70 2.150 21.538 1.578 1.00 0.00 O ATOM 1121 OD2 ASP A 70 0.093 20.818 1.587 1.00 0.00 O ATOM 0 H ASP A 70 0.944 21.739 -2.964 1.00 0.00 H new ATOM 0 HA ASP A 70 2.793 20.576 -1.143 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.369 22.589 -0.712 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.073 21.598 -0.808 1.00 0.00 H new ATOM 1126 N ALA A 71 0.181 18.750 -1.950 1.00 0.00 N ATOM 1127 CA ALA A 71 -0.422 17.404 -1.890 1.00 0.00 C ATOM 1128 C ALA A 71 0.560 16.356 -2.435 1.00 0.00 C ATOM 1129 O ALA A 71 0.745 15.290 -1.837 1.00 0.00 O ATOM 1130 CB ALA A 71 -1.742 17.372 -2.681 1.00 0.00 C ATOM 0 H ALA A 71 -0.264 19.364 -2.632 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.640 17.165 -0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.174 16.373 -2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.440 18.093 -2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.548 17.628 -3.723 1.00 0.00 H new ATOM 1136 N ALA A 72 1.198 16.702 -3.570 1.00 0.00 N ATOM 1137 CA ALA A 72 2.197 15.853 -4.233 1.00 0.00 C ATOM 1138 C ALA A 72 3.429 15.645 -3.329 1.00 0.00 C ATOM 1139 O ALA A 72 3.837 14.505 -3.088 1.00 0.00 O ATOM 1140 CB ALA A 72 2.591 16.481 -5.575 1.00 0.00 C ATOM 0 H ALA A 72 1.031 17.585 -4.053 1.00 0.00 H new ATOM 0 HA ALA A 72 1.764 14.870 -4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.332 15.852 -6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.709 16.567 -6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.012 17.471 -5.403 1.00 0.00 H new ATOM 1146 N LEU A 73 3.960 16.766 -2.805 1.00 0.00 N ATOM 1147 CA LEU A 73 5.131 16.803 -1.894 1.00 0.00 C ATOM 1148 C LEU A 73 4.875 16.035 -0.584 1.00 0.00 C ATOM 1149 O LEU A 73 5.775 15.359 -0.063 1.00 0.00 O ATOM 1150 CB LEU A 73 5.501 18.280 -1.587 1.00 0.00 C ATOM 1151 CG LEU A 73 6.182 19.054 -2.755 1.00 0.00 C ATOM 1152 CD1 LEU A 73 6.236 20.567 -2.476 1.00 0.00 C ATOM 1153 CD2 LEU A 73 7.594 18.492 -3.039 1.00 0.00 C ATOM 0 H LEU A 73 3.583 17.693 -3.004 1.00 0.00 H new ATOM 0 HA LEU A 73 5.962 16.308 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.594 18.812 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.167 18.298 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 73 5.572 18.908 -3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.718 21.074 -3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.223 20.951 -2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.806 20.749 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.049 19.049 -3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.211 18.591 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.518 17.440 -3.313 1.00 0.00 H new ATOM 1165 N ALA A 74 3.636 16.151 -0.072 1.00 0.00 N ATOM 1166 CA ALA A 74 3.189 15.443 1.144 1.00 0.00 C ATOM 1167 C ALA A 74 3.261 13.930 0.939 1.00 0.00 C ATOM 1168 O ALA A 74 3.726 13.190 1.803 1.00 0.00 O ATOM 1169 CB ALA A 74 1.758 15.862 1.521 1.00 0.00 C ATOM 0 H ALA A 74 2.915 16.739 -0.490 1.00 0.00 H new ATOM 0 HA ALA A 74 3.855 15.716 1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.448 15.329 2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.731 16.935 1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.080 15.619 0.703 1.00 0.00 H new ATOM 1175 N ARG A 75 2.821 13.504 -0.251 1.00 0.00 N ATOM 1176 CA ARG A 75 2.779 12.094 -0.635 1.00 0.00 C ATOM 1177 C ARG A 75 4.169 11.539 -0.972 1.00 0.00 C ATOM 1178 O ARG A 75 4.365 10.331 -0.910 1.00 0.00 O ATOM 1179 CB ARG A 75 1.767 11.893 -1.787 1.00 0.00 C ATOM 1180 CG ARG A 75 0.313 12.111 -1.331 1.00 0.00 C ATOM 1181 CD ARG A 75 -0.741 11.739 -2.384 1.00 0.00 C ATOM 1182 NE ARG A 75 -2.086 11.758 -1.782 1.00 0.00 N ATOM 1183 CZ ARG A 75 -2.678 10.711 -1.189 1.00 0.00 C ATOM 1184 NH1 ARG A 75 -2.163 9.484 -1.275 1.00 0.00 N ATOM 1185 NH2 ARG A 75 -3.817 10.890 -0.534 1.00 0.00 N ATOM 0 H ARG A 75 2.482 14.135 -0.977 1.00 0.00 H new ATOM 0 HA ARG A 75 2.436 11.516 0.223 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.999 12.585 -2.597 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.872 10.885 -2.189 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.134 11.522 -0.431 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.183 13.158 -1.058 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.697 12.440 -3.217 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.529 10.749 -2.788 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.606 12.634 -1.819 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.302 9.328 -1.800 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.630 8.702 -0.816 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.236 11.819 -0.484 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.274 10.099 -0.080 1.00 0.00 H new ATOM 1199 N ILE A 76 5.130 12.415 -1.320 1.00 0.00 N ATOM 1200 CA ILE A 76 6.543 12.007 -1.490 1.00 0.00 C ATOM 1201 C ILE A 76 7.128 11.596 -0.120 1.00 0.00 C ATOM 1202 O ILE A 76 7.731 10.522 0.014 1.00 0.00 O ATOM 1203 CB ILE A 76 7.411 13.153 -2.139 1.00 0.00 C ATOM 1204 CG1 ILE A 76 6.847 13.516 -3.551 1.00 0.00 C ATOM 1205 CG2 ILE A 76 8.906 12.737 -2.223 1.00 0.00 C ATOM 1206 CD1 ILE A 76 7.460 14.731 -4.224 1.00 0.00 C ATOM 0 H ILE A 76 4.958 13.406 -1.489 1.00 0.00 H new ATOM 0 HA ILE A 76 6.572 11.157 -2.171 1.00 0.00 H new ATOM 0 HB ILE A 76 7.352 14.038 -1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.984 12.656 -4.206 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.773 13.680 -3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.483 13.544 -2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.285 12.536 -1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.000 11.839 -2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.990 14.884 -5.196 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.301 15.611 -3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.530 14.571 -4.359 1.00 0.00 H new ATOM 1218 N ALA A 77 6.892 12.454 0.889 1.00 0.00 N ATOM 1219 CA ALA A 77 7.331 12.220 2.282 1.00 0.00 C ATOM 1220 C ALA A 77 6.580 11.028 2.916 1.00 0.00 C ATOM 1221 O ALA A 77 7.129 10.318 3.765 1.00 0.00 O ATOM 1222 CB ALA A 77 7.136 13.503 3.113 1.00 0.00 C ATOM 0 H ALA A 77 6.390 13.333 0.763 1.00 0.00 H new ATOM 0 HA ALA A 77 8.391 11.965 2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.461 13.325 4.138 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.727 14.310 2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.082 13.782 3.109 1.00 0.00 H new ATOM 1228 N SER A 78 5.323 10.818 2.475 1.00 0.00 N ATOM 1229 CA SER A 78 4.475 9.699 2.926 1.00 0.00 C ATOM 1230 C SER A 78 4.836 8.392 2.183 1.00 0.00 C ATOM 1231 O SER A 78 4.586 7.297 2.694 1.00 0.00 O ATOM 1232 CB SER A 78 2.984 10.066 2.720 1.00 0.00 C ATOM 1233 OG SER A 78 2.111 9.078 3.241 1.00 0.00 O ATOM 0 H SER A 78 4.867 11.424 1.793 1.00 0.00 H new ATOM 0 HA SER A 78 4.653 9.525 3.987 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.777 11.021 3.202 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.788 10.197 1.656 1.00 0.00 H new ATOM 0 HG SER A 78 1.182 9.351 3.091 1.00 0.00 H new ATOM 1239 N GLY A 79 5.436 8.525 0.981 1.00 0.00 N ATOM 1240 CA GLY A 79 5.820 7.374 0.142 1.00 0.00 C ATOM 1241 C GLY A 79 4.707 6.899 -0.796 1.00 0.00 C ATOM 1242 O GLY A 79 4.847 5.867 -1.453 1.00 0.00 O ATOM 0 H GLY A 79 5.666 9.429 0.568 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.693 7.644 -0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.116 6.547 0.788 1.00 0.00 H new ATOM 1246 N THR A 80 3.601 7.656 -0.856 1.00 0.00 N ATOM 1247 CA THR A 80 2.429 7.345 -1.702 1.00 0.00 C ATOM 1248 C THR A 80 2.274 8.409 -2.827 1.00 0.00 C ATOM 1249 O THR A 80 1.159 8.691 -3.298 1.00 0.00 O ATOM 1250 CB THR A 80 1.133 7.233 -0.806 1.00 0.00 C ATOM 1251 OG1 THR A 80 -0.021 6.896 -1.599 1.00 0.00 O ATOM 1252 CG2 THR A 80 0.853 8.525 -0.014 1.00 0.00 C ATOM 0 H THR A 80 3.490 8.513 -0.313 1.00 0.00 H new ATOM 0 HA THR A 80 2.578 6.382 -2.190 1.00 0.00 H new ATOM 0 HB THR A 80 1.325 6.433 -0.091 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.032 7.446 -2.410 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.048 8.396 0.586 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.697 8.740 0.641 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.712 9.354 -0.708 1.00 0.00 H new ATOM 1260 N PHE A 81 3.414 9.007 -3.256 1.00 0.00 N ATOM 1261 CA PHE A 81 3.461 9.869 -4.452 1.00 0.00 C ATOM 1262 C PHE A 81 3.131 9.054 -5.714 1.00 0.00 C ATOM 1263 O PHE A 81 3.477 7.865 -5.804 1.00 0.00 O ATOM 1264 CB PHE A 81 4.851 10.542 -4.588 1.00 0.00 C ATOM 1265 CG PHE A 81 5.009 11.448 -5.821 1.00 0.00 C ATOM 1266 CD1 PHE A 81 4.271 12.635 -5.934 1.00 0.00 C ATOM 1267 CD2 PHE A 81 5.891 11.124 -6.855 1.00 0.00 C ATOM 1268 CE1 PHE A 81 4.404 13.450 -7.045 1.00 0.00 C ATOM 1269 CE2 PHE A 81 6.018 11.941 -7.963 1.00 0.00 C ATOM 1270 CZ PHE A 81 5.284 13.111 -8.053 1.00 0.00 C ATOM 0 H PHE A 81 4.313 8.904 -2.786 1.00 0.00 H new ATOM 0 HA PHE A 81 2.712 10.653 -4.340 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.042 11.133 -3.693 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.614 9.764 -4.625 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.590 12.917 -5.144 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.482 10.223 -6.788 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.818 14.354 -7.123 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.692 11.665 -8.761 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.400 13.758 -8.910 1.00 0.00 H new ATOM 1280 N GLY A 82 2.467 9.713 -6.675 1.00 0.00 N ATOM 1281 CA GLY A 82 2.041 9.072 -7.904 1.00 0.00 C ATOM 1282 C GLY A 82 0.845 8.153 -7.692 1.00 0.00 C ATOM 1283 O GLY A 82 0.698 7.162 -8.392 1.00 0.00 O ATOM 0 H GLY A 82 2.217 10.700 -6.612 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.784 9.835 -8.639 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.870 8.497 -8.317 1.00 0.00 H new ATOM 1287 N THR A 83 -0.024 8.497 -6.725 1.00 0.00 N ATOM 1288 CA THR A 83 -1.263 7.738 -6.452 1.00 0.00 C ATOM 1289 C THR A 83 -2.500 8.633 -6.687 1.00 0.00 C ATOM 1290 O THR A 83 -2.735 9.601 -5.950 1.00 0.00 O ATOM 1291 CB THR A 83 -1.276 7.168 -4.994 1.00 0.00 C ATOM 1292 OG1 THR A 83 -0.057 6.445 -4.750 1.00 0.00 O ATOM 1293 CG2 THR A 83 -2.477 6.223 -4.760 1.00 0.00 C ATOM 0 H THR A 83 0.109 9.302 -6.113 1.00 0.00 H new ATOM 0 HA THR A 83 -1.297 6.894 -7.141 1.00 0.00 H new ATOM 0 HB THR A 83 -1.365 8.011 -4.308 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.564 7.012 -4.247 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.451 5.848 -3.737 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.406 6.769 -4.923 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.422 5.385 -5.455 1.00 0.00 H new ATOM 1301 N CYS A 84 -3.255 8.307 -7.748 1.00 0.00 N ATOM 1302 CA CYS A 84 -4.530 8.956 -8.084 1.00 0.00 C ATOM 1303 C CYS A 84 -5.642 8.428 -7.180 1.00 0.00 C ATOM 1304 O CYS A 84 -6.231 7.378 -7.463 1.00 0.00 O ATOM 1305 CB CYS A 84 -4.885 8.703 -9.553 1.00 0.00 C ATOM 1306 SG CYS A 84 -6.461 9.419 -10.086 1.00 0.00 S ATOM 0 H CYS A 84 -2.992 7.574 -8.406 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.426 10.030 -7.928 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.089 9.105 -10.179 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -4.914 7.627 -9.725 1.00 0.00 H new ATOM 0 HG CYS A 84 -6.674 9.120 -11.333 1.00 0.00 H new ATOM 1311 N VAL A 85 -5.907 9.170 -6.097 1.00 0.00 N ATOM 1312 CA VAL A 85 -6.877 8.781 -5.050 1.00 0.00 C ATOM 1313 C VAL A 85 -8.324 8.662 -5.579 1.00 0.00 C ATOM 1314 O VAL A 85 -9.084 7.825 -5.098 1.00 0.00 O ATOM 1315 CB VAL A 85 -6.819 9.772 -3.832 1.00 0.00 C ATOM 1316 CG1 VAL A 85 -5.430 9.717 -3.158 1.00 0.00 C ATOM 1317 CG2 VAL A 85 -7.191 11.225 -4.246 1.00 0.00 C ATOM 0 H VAL A 85 -5.454 10.066 -5.916 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.580 7.787 -4.715 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.566 9.451 -3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.406 10.409 -2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.239 8.705 -2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.664 9.998 -3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.138 11.877 -3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.492 11.577 -5.005 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.203 11.240 -4.650 1.00 0.00 H new ATOM 1327 N LYS A 86 -8.661 9.475 -6.605 1.00 0.00 N ATOM 1328 CA LYS A 86 -10.021 9.536 -7.184 1.00 0.00 C ATOM 1329 C LYS A 86 -10.479 8.176 -7.769 1.00 0.00 C ATOM 1330 O LYS A 86 -11.667 7.847 -7.723 1.00 0.00 O ATOM 1331 CB LYS A 86 -10.093 10.674 -8.242 1.00 0.00 C ATOM 1332 CG LYS A 86 -11.485 10.871 -8.906 1.00 0.00 C ATOM 1333 CD LYS A 86 -11.623 12.225 -9.648 1.00 0.00 C ATOM 1334 CE LYS A 86 -11.620 13.429 -8.693 1.00 0.00 C ATOM 1335 NZ LYS A 86 -12.775 13.407 -7.756 1.00 0.00 N ATOM 0 H LYS A 86 -7.998 10.107 -7.054 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.719 9.762 -6.378 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.799 11.610 -7.767 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.361 10.469 -9.023 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.662 10.058 -9.611 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.258 10.803 -8.141 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.804 12.329 -10.360 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.548 12.226 -10.224 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.691 13.435 -8.122 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.643 14.351 -9.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.839 14.320 -7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.652 13.240 -8.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.643 12.645 -7.060 1.00 0.00 H new ATOM 1349 N CYS A 87 -9.526 7.383 -8.296 1.00 0.00 N ATOM 1350 CA CYS A 87 -9.815 6.014 -8.797 1.00 0.00 C ATOM 1351 C CYS A 87 -8.997 4.954 -8.032 1.00 0.00 C ATOM 1352 O CYS A 87 -9.101 3.760 -8.327 1.00 0.00 O ATOM 1353 CB CYS A 87 -9.541 5.923 -10.315 1.00 0.00 C ATOM 1354 SG CYS A 87 -7.820 6.242 -10.806 1.00 0.00 S ATOM 0 H CYS A 87 -8.549 7.661 -8.388 1.00 0.00 H new ATOM 0 HA CYS A 87 -10.871 5.809 -8.622 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.823 4.929 -10.661 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -10.187 6.635 -10.829 1.00 0.00 H new ATOM 0 HG CYS A 87 -7.482 7.445 -10.448 1.00 0.00 H new ATOM 1359 N GLY A 88 -8.201 5.403 -7.037 1.00 0.00 N ATOM 1360 CA GLY A 88 -7.316 4.519 -6.262 1.00 0.00 C ATOM 1361 C GLY A 88 -6.233 3.847 -7.111 1.00 0.00 C ATOM 1362 O GLY A 88 -5.677 2.823 -6.706 1.00 0.00 O ATOM 0 H GLY A 88 -8.157 6.382 -6.753 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.840 5.097 -5.470 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.917 3.750 -5.777 1.00 0.00 H new ATOM 1366 N LYS A 89 -5.934 4.432 -8.287 1.00 0.00 N ATOM 1367 CA LYS A 89 -4.962 3.870 -9.257 1.00 0.00 C ATOM 1368 C LYS A 89 -3.664 4.684 -9.250 1.00 0.00 C ATOM 1369 O LYS A 89 -3.551 5.685 -8.545 1.00 0.00 O ATOM 1370 CB LYS A 89 -5.574 3.841 -10.700 1.00 0.00 C ATOM 1371 CG LYS A 89 -6.841 2.952 -10.902 1.00 0.00 C ATOM 1372 CD LYS A 89 -6.579 1.412 -10.814 1.00 0.00 C ATOM 1373 CE LYS A 89 -6.669 0.841 -9.384 1.00 0.00 C ATOM 1374 NZ LYS A 89 -6.304 -0.602 -9.330 1.00 0.00 N ATOM 0 H LYS A 89 -6.357 5.307 -8.595 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.735 2.847 -8.956 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.825 4.863 -10.984 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.803 3.498 -11.391 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.583 3.224 -10.151 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.275 3.178 -11.876 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.300 0.894 -11.447 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -5.589 1.199 -11.218 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.008 1.406 -8.727 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.683 0.972 -9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.379 -0.943 -8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.950 -1.146 -9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.328 -0.726 -9.666 1.00 0.00 H new ATOM 1388 N ARG A 90 -2.693 4.225 -10.047 1.00 0.00 N ATOM 1389 CA ARG A 90 -1.390 4.887 -10.230 1.00 0.00 C ATOM 1390 C ARG A 90 -1.525 6.090 -11.207 1.00 0.00 C ATOM 1391 O ARG A 90 -2.344 6.055 -12.137 1.00 0.00 O ATOM 1392 CB ARG A 90 -0.381 3.830 -10.779 1.00 0.00 C ATOM 1393 CG ARG A 90 1.093 4.294 -10.899 1.00 0.00 C ATOM 1394 CD ARG A 90 1.791 4.488 -9.540 1.00 0.00 C ATOM 1395 NE ARG A 90 1.804 3.252 -8.733 1.00 0.00 N ATOM 1396 CZ ARG A 90 2.774 2.322 -8.738 1.00 0.00 C ATOM 1397 NH1 ARG A 90 3.826 2.429 -9.543 1.00 0.00 N ATOM 1398 NH2 ARG A 90 2.672 1.267 -7.944 1.00 0.00 N ATOM 0 H ARG A 90 -2.789 3.369 -10.594 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.029 5.280 -9.279 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.414 2.955 -10.130 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.721 3.510 -11.764 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.650 3.561 -11.482 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.126 5.233 -11.452 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.815 4.822 -9.705 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.284 5.277 -8.984 1.00 0.00 H new ATOM 0 HE ARG A 90 1.007 3.090 -8.118 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.908 3.228 -10.172 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.552 1.712 -9.532 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.861 1.164 -7.334 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.404 0.557 -7.943 1.00 0.00 H new ATOM 1412 N ILE A 91 -0.751 7.164 -10.952 1.00 0.00 N ATOM 1413 CA ILE A 91 -0.568 8.279 -11.906 1.00 0.00 C ATOM 1414 C ILE A 91 0.475 7.838 -12.962 1.00 0.00 C ATOM 1415 O ILE A 91 1.435 7.130 -12.623 1.00 0.00 O ATOM 1416 CB ILE A 91 -0.042 9.602 -11.202 1.00 0.00 C ATOM 1417 CG1 ILE A 91 -0.926 10.044 -9.984 1.00 0.00 C ATOM 1418 CG2 ILE A 91 0.064 10.754 -12.226 1.00 0.00 C ATOM 1419 CD1 ILE A 91 -2.164 10.842 -10.319 1.00 0.00 C ATOM 0 H ILE A 91 -0.235 7.284 -10.080 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.536 8.505 -12.353 1.00 0.00 H new ATOM 0 HB ILE A 91 0.947 9.369 -10.807 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.230 9.151 -9.438 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.308 10.636 -9.308 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.426 11.653 -11.726 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.759 10.474 -13.018 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.918 10.949 -12.657 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.696 11.091 -9.401 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.877 11.759 -10.833 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.814 10.252 -10.965 1.00 0.00 H new ATOM 1431 N SER A 92 0.301 8.273 -14.219 1.00 0.00 N ATOM 1432 CA SER A 92 1.246 7.940 -15.306 1.00 0.00 C ATOM 1433 C SER A 92 2.544 8.760 -15.160 1.00 0.00 C ATOM 1434 O SER A 92 2.515 9.881 -14.646 1.00 0.00 O ATOM 1435 CB SER A 92 0.590 8.204 -16.682 1.00 0.00 C ATOM 1436 OG SER A 92 -0.648 7.521 -16.785 1.00 0.00 O ATOM 0 H SER A 92 -0.483 8.856 -14.512 1.00 0.00 H new ATOM 0 HA SER A 92 1.499 6.882 -15.238 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.433 9.274 -16.817 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.259 7.877 -17.478 1.00 0.00 H new ATOM 0 HG SER A 92 -1.049 7.701 -17.661 1.00 0.00 H new ATOM 1442 N GLU A 93 3.669 8.178 -15.605 1.00 0.00 N ATOM 1443 CA GLU A 93 4.979 8.857 -15.663 1.00 0.00 C ATOM 1444 C GLU A 93 4.907 10.097 -16.575 1.00 0.00 C ATOM 1445 O GLU A 93 5.434 11.160 -16.228 1.00 0.00 O ATOM 1446 CB GLU A 93 6.040 7.864 -16.191 1.00 0.00 C ATOM 1447 CG GLU A 93 7.449 8.453 -16.385 1.00 0.00 C ATOM 1448 CD GLU A 93 8.406 7.469 -17.074 1.00 0.00 C ATOM 1449 OE1 GLU A 93 8.882 6.524 -16.412 1.00 0.00 O ATOM 1450 OE2 GLU A 93 8.677 7.629 -18.285 1.00 0.00 O ATOM 0 H GLU A 93 3.698 7.214 -15.938 1.00 0.00 H new ATOM 0 HA GLU A 93 5.256 9.190 -14.663 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.106 7.025 -15.498 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.697 7.463 -17.145 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.380 9.364 -16.979 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.859 8.735 -15.415 1.00 0.00 H new ATOM 1457 N ASP A 94 4.230 9.920 -17.731 1.00 0.00 N ATOM 1458 CA ASP A 94 3.972 10.995 -18.718 1.00 0.00 C ATOM 1459 C ASP A 94 3.224 12.162 -18.060 1.00 0.00 C ATOM 1460 O ASP A 94 3.559 13.327 -18.267 1.00 0.00 O ATOM 1461 CB ASP A 94 3.128 10.460 -19.911 1.00 0.00 C ATOM 1462 CG ASP A 94 3.794 9.286 -20.638 1.00 0.00 C ATOM 1463 OD1 ASP A 94 3.635 8.131 -20.189 1.00 0.00 O ATOM 1464 OD2 ASP A 94 4.498 9.508 -21.649 1.00 0.00 O ATOM 0 H ASP A 94 3.843 9.018 -18.009 1.00 0.00 H new ATOM 0 HA ASP A 94 4.937 11.343 -19.088 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.150 10.146 -19.545 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.958 11.270 -20.620 1.00 0.00 H new ATOM 1469 N ARG A 95 2.219 11.793 -17.251 1.00 0.00 N ATOM 1470 CA ARG A 95 1.379 12.734 -16.501 1.00 0.00 C ATOM 1471 C ARG A 95 2.215 13.505 -15.455 1.00 0.00 C ATOM 1472 O ARG A 95 2.076 14.713 -15.336 1.00 0.00 O ATOM 1473 CB ARG A 95 0.220 11.955 -15.815 1.00 0.00 C ATOM 1474 CG ARG A 95 -0.747 12.811 -14.969 1.00 0.00 C ATOM 1475 CD ARG A 95 -1.693 13.673 -15.804 1.00 0.00 C ATOM 1476 NE ARG A 95 -2.476 14.589 -14.966 1.00 0.00 N ATOM 1477 CZ ARG A 95 -3.332 15.509 -15.430 1.00 0.00 C ATOM 1478 NH1 ARG A 95 -3.538 15.660 -16.731 1.00 0.00 N ATOM 1479 NH2 ARG A 95 -3.954 16.298 -14.582 1.00 0.00 N ATOM 0 H ARG A 95 1.965 10.817 -17.099 1.00 0.00 H new ATOM 0 HA ARG A 95 0.960 13.466 -17.192 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.356 11.442 -16.585 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.652 11.186 -15.175 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.337 12.153 -14.330 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.166 13.457 -14.311 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.117 14.247 -16.530 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.368 13.030 -16.369 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.360 14.520 -13.955 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.041 15.070 -17.398 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.194 16.366 -17.065 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.783 16.206 -13.581 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.608 17.002 -14.925 1.00 0.00 H new ATOM 1493 N LEU A 96 3.104 12.786 -14.735 1.00 0.00 N ATOM 1494 CA LEU A 96 3.926 13.365 -13.640 1.00 0.00 C ATOM 1495 C LEU A 96 5.027 14.304 -14.160 1.00 0.00 C ATOM 1496 O LEU A 96 5.385 15.266 -13.493 1.00 0.00 O ATOM 1497 CB LEU A 96 4.555 12.242 -12.765 1.00 0.00 C ATOM 1498 CG LEU A 96 3.561 11.477 -11.838 1.00 0.00 C ATOM 1499 CD1 LEU A 96 4.240 10.300 -11.107 1.00 0.00 C ATOM 1500 CD2 LEU A 96 2.875 12.439 -10.831 1.00 0.00 C ATOM 0 H LEU A 96 3.274 11.793 -14.892 1.00 0.00 H new ATOM 0 HA LEU A 96 3.249 13.962 -13.029 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.039 11.521 -13.423 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.336 12.683 -12.146 1.00 0.00 H new ATOM 0 HG LEU A 96 2.788 11.055 -12.480 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.511 9.796 -10.473 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.633 9.595 -11.839 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.057 10.677 -10.492 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.188 11.875 -10.199 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.633 12.915 -10.209 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.322 13.203 -11.377 1.00 0.00 H new ATOM 1512 N LYS A 97 5.585 14.005 -15.337 1.00 0.00 N ATOM 1513 CA LYS A 97 6.652 14.838 -15.930 1.00 0.00 C ATOM 1514 C LYS A 97 6.052 16.083 -16.608 1.00 0.00 C ATOM 1515 O LYS A 97 6.704 17.125 -16.697 1.00 0.00 O ATOM 1516 CB LYS A 97 7.526 14.008 -16.905 1.00 0.00 C ATOM 1517 CG LYS A 97 6.868 13.613 -18.245 1.00 0.00 C ATOM 1518 CD LYS A 97 7.795 12.714 -19.105 1.00 0.00 C ATOM 1519 CE LYS A 97 8.218 11.432 -18.374 1.00 0.00 C ATOM 1520 NZ LYS A 97 9.170 10.608 -19.166 1.00 0.00 N ATOM 0 H LYS A 97 5.321 13.197 -15.901 1.00 0.00 H new ATOM 0 HA LYS A 97 7.307 15.185 -15.131 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.430 14.576 -17.122 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.837 13.097 -16.395 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.933 13.087 -18.049 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.616 14.514 -18.804 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.282 12.448 -20.029 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.684 13.278 -19.385 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.678 11.696 -17.422 1.00 0.00 H new ATOM 0 HE3 LYS A 97 7.332 10.839 -18.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.054 9.606 -18.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.978 10.735 -20.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.144 10.907 -18.958 1.00 0.00 H new ATOM 1534 N ALA A 98 4.795 15.950 -17.067 1.00 0.00 N ATOM 1535 CA ALA A 98 4.029 17.043 -17.691 1.00 0.00 C ATOM 1536 C ALA A 98 3.423 17.978 -16.626 1.00 0.00 C ATOM 1537 O ALA A 98 3.301 19.186 -16.841 1.00 0.00 O ATOM 1538 CB ALA A 98 2.934 16.446 -18.586 1.00 0.00 C ATOM 0 H ALA A 98 4.278 15.072 -17.015 1.00 0.00 H new ATOM 0 HA ALA A 98 4.703 17.645 -18.301 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.364 17.251 -19.050 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.392 15.832 -19.361 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.267 15.830 -17.983 1.00 0.00 H new ATOM 1544 N VAL A 99 3.051 17.384 -15.483 1.00 0.00 N ATOM 1545 CA VAL A 99 2.468 18.080 -14.328 1.00 0.00 C ATOM 1546 C VAL A 99 2.706 17.207 -13.062 1.00 0.00 C ATOM 1547 O VAL A 99 2.002 16.228 -12.841 1.00 0.00 O ATOM 1548 CB VAL A 99 0.926 18.430 -14.548 1.00 0.00 C ATOM 1549 CG1 VAL A 99 0.099 17.229 -15.069 1.00 0.00 C ATOM 1550 CG2 VAL A 99 0.291 19.029 -13.270 1.00 0.00 C ATOM 0 H VAL A 99 3.150 16.380 -15.333 1.00 0.00 H new ATOM 0 HA VAL A 99 2.960 19.044 -14.197 1.00 0.00 H new ATOM 0 HB VAL A 99 0.899 19.188 -15.330 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.940 17.531 -15.198 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.502 16.898 -16.026 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.152 16.411 -14.350 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.759 19.255 -13.457 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.368 18.310 -12.454 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.816 19.944 -12.997 1.00 0.00 H new ATOM 1560 N PRO A 100 3.781 17.496 -12.251 1.00 0.00 N ATOM 1561 CA PRO A 100 4.100 16.707 -11.023 1.00 0.00 C ATOM 1562 C PRO A 100 3.165 17.005 -9.834 1.00 0.00 C ATOM 1563 O PRO A 100 3.207 16.299 -8.820 1.00 0.00 O ATOM 1564 CB PRO A 100 5.569 17.112 -10.720 1.00 0.00 C ATOM 1565 CG PRO A 100 5.710 18.496 -11.287 1.00 0.00 C ATOM 1566 CD PRO A 100 4.794 18.563 -12.496 1.00 0.00 C ATOM 0 HA PRO A 100 3.963 15.637 -11.180 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.769 17.101 -9.649 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.273 16.421 -11.183 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.433 19.248 -10.548 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.743 18.695 -11.572 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.325 19.543 -12.586 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.343 18.386 -13.421 1.00 0.00 H new ATOM 1574 N TYR A 101 2.320 18.040 -9.976 1.00 0.00 N ATOM 1575 CA TYR A 101 1.386 18.480 -8.918 1.00 0.00 C ATOM 1576 C TYR A 101 -0.058 18.071 -9.253 1.00 0.00 C ATOM 1577 O TYR A 101 -1.003 18.848 -9.087 1.00 0.00 O ATOM 1578 CB TYR A 101 1.521 20.015 -8.690 1.00 0.00 C ATOM 1579 CG TYR A 101 1.413 20.920 -9.937 1.00 0.00 C ATOM 1580 CD1 TYR A 101 0.180 21.430 -10.368 1.00 0.00 C ATOM 1581 CD2 TYR A 101 2.546 21.282 -10.673 1.00 0.00 C ATOM 1582 CE1 TYR A 101 0.089 22.253 -11.470 1.00 0.00 C ATOM 1583 CE2 TYR A 101 2.452 22.105 -11.777 1.00 0.00 C ATOM 1584 CZ TYR A 101 1.225 22.587 -12.171 1.00 0.00 C ATOM 1585 OH TYR A 101 1.131 23.417 -13.269 1.00 0.00 O ATOM 0 H TYR A 101 2.263 18.598 -10.828 1.00 0.00 H new ATOM 0 HA TYR A 101 1.647 17.980 -7.985 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.752 20.321 -7.981 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.484 20.204 -8.216 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -0.717 21.173 -9.825 1.00 0.00 H new ATOM 0 HD2 TYR A 101 3.514 20.910 -10.371 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -0.872 22.635 -11.783 1.00 0.00 H new ATOM 0 HE2 TYR A 101 3.340 22.370 -12.331 1.00 0.00 H new ATOM 0 HH TYR A 101 0.908 24.325 -12.975 1.00 0.00 H new ATOM 1595 N THR A 102 -0.233 16.819 -9.684 1.00 0.00 N ATOM 1596 CA THR A 102 -1.543 16.287 -10.073 1.00 0.00 C ATOM 1597 C THR A 102 -1.951 15.110 -9.127 1.00 0.00 C ATOM 1598 O THR A 102 -1.409 13.998 -9.216 1.00 0.00 O ATOM 1599 CB THR A 102 -1.527 15.896 -11.599 1.00 0.00 C ATOM 1600 OG1 THR A 102 -2.838 15.545 -12.051 1.00 0.00 O ATOM 1601 CG2 THR A 102 -0.544 14.759 -11.927 1.00 0.00 C ATOM 0 H THR A 102 0.528 16.146 -9.773 1.00 0.00 H new ATOM 0 HA THR A 102 -2.312 17.050 -9.955 1.00 0.00 H new ATOM 0 HB THR A 102 -1.180 16.783 -12.129 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.971 14.579 -11.951 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.584 14.540 -12.994 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.467 15.063 -11.656 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.818 13.867 -11.363 1.00 0.00 H new ATOM 1609 N PRO A 103 -2.864 15.362 -8.126 1.00 0.00 N ATOM 1610 CA PRO A 103 -3.409 14.294 -7.239 1.00 0.00 C ATOM 1611 C PRO A 103 -4.262 13.247 -7.994 1.00 0.00 C ATOM 1612 O PRO A 103 -4.427 12.118 -7.525 1.00 0.00 O ATOM 1613 CB PRO A 103 -4.278 15.079 -6.205 1.00 0.00 C ATOM 1614 CG PRO A 103 -3.788 16.499 -6.288 1.00 0.00 C ATOM 1615 CD PRO A 103 -3.384 16.702 -7.732 1.00 0.00 C ATOM 0 HA PRO A 103 -2.609 13.710 -6.785 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.338 15.012 -6.448 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -4.155 14.677 -5.199 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.569 17.201 -5.996 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -2.945 16.663 -5.617 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.230 17.004 -8.349 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -2.623 17.476 -7.833 1.00 0.00 H new ATOM 1623 N PHE A 104 -4.831 13.649 -9.152 1.00 0.00 N ATOM 1624 CA PHE A 104 -5.700 12.787 -9.987 1.00 0.00 C ATOM 1625 C PHE A 104 -5.007 12.522 -11.339 1.00 0.00 C ATOM 1626 O PHE A 104 -4.262 13.366 -11.823 1.00 0.00 O ATOM 1627 CB PHE A 104 -7.086 13.465 -10.214 1.00 0.00 C ATOM 1628 CG PHE A 104 -7.693 14.115 -8.963 1.00 0.00 C ATOM 1629 CD1 PHE A 104 -7.760 13.431 -7.744 1.00 0.00 C ATOM 1630 CD2 PHE A 104 -8.144 15.435 -8.996 1.00 0.00 C ATOM 1631 CE1 PHE A 104 -8.293 14.036 -6.622 1.00 0.00 C ATOM 1632 CE2 PHE A 104 -8.673 16.037 -7.873 1.00 0.00 C ATOM 1633 CZ PHE A 104 -8.733 15.343 -6.680 1.00 0.00 C ATOM 0 H PHE A 104 -4.700 14.585 -9.536 1.00 0.00 H new ATOM 0 HA PHE A 104 -5.865 11.840 -9.473 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.981 14.226 -10.988 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.783 12.718 -10.594 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.391 12.418 -7.679 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -8.078 15.995 -9.917 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.366 13.484 -5.696 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -9.040 17.051 -7.927 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.123 15.822 -5.794 1.00 0.00 H new ATOM 1643 N CYS A 105 -5.247 11.343 -11.950 1.00 0.00 N ATOM 1644 CA CYS A 105 -4.615 10.971 -13.225 1.00 0.00 C ATOM 1645 C CYS A 105 -5.413 11.579 -14.386 1.00 0.00 C ATOM 1646 O CYS A 105 -6.532 12.040 -14.165 1.00 0.00 O ATOM 1647 CB CYS A 105 -4.393 9.424 -13.332 1.00 0.00 C ATOM 1648 SG CYS A 105 -5.835 8.307 -13.428 1.00 0.00 S ATOM 0 H CYS A 105 -5.877 10.633 -11.576 1.00 0.00 H new ATOM 0 HA CYS A 105 -3.611 11.392 -13.277 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -3.782 9.243 -14.216 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -3.802 9.119 -12.468 1.00 0.00 H new ATOM 0 HG CYS A 105 -6.740 8.832 -14.199 1.00 0.00 H new ATOM 1653 N GLN A 106 -4.817 11.590 -15.597 1.00 0.00 N ATOM 1654 CA GLN A 106 -5.245 12.435 -16.748 1.00 0.00 C ATOM 1655 C GLN A 106 -6.769 12.416 -17.017 1.00 0.00 C ATOM 1656 O GLN A 106 -7.369 13.470 -17.244 1.00 0.00 O ATOM 1657 CB GLN A 106 -4.455 12.020 -18.030 1.00 0.00 C ATOM 1658 CG GLN A 106 -4.806 12.827 -19.301 1.00 0.00 C ATOM 1659 CD GLN A 106 -3.963 12.447 -20.523 1.00 0.00 C ATOM 1660 OE1 GLN A 106 -4.314 11.555 -21.291 1.00 0.00 O ATOM 1661 NE2 GLN A 106 -2.854 13.135 -20.718 1.00 0.00 N ATOM 0 H GLN A 106 -4.010 11.004 -15.813 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.011 13.465 -16.477 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.388 12.127 -17.832 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.638 10.964 -18.226 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.860 12.677 -19.537 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.673 13.889 -19.095 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -2.588 13.870 -20.063 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -2.263 12.932 -21.524 1.00 0.00 H new ATOM 1670 N GLU A 107 -7.390 11.227 -16.930 1.00 0.00 N ATOM 1671 CA GLU A 107 -8.836 11.068 -17.253 1.00 0.00 C ATOM 1672 C GLU A 107 -9.735 11.455 -16.049 1.00 0.00 C ATOM 1673 O GLU A 107 -10.900 11.813 -16.225 1.00 0.00 O ATOM 1674 CB GLU A 107 -9.148 9.635 -17.812 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.392 8.450 -17.169 1.00 0.00 C ATOM 1676 CD GLU A 107 -8.737 8.210 -15.692 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -8.079 8.800 -14.825 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -9.653 7.420 -15.397 1.00 0.00 O ATOM 0 H GLU A 107 -6.927 10.365 -16.643 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.078 11.768 -18.053 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.217 9.454 -17.702 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -8.933 9.634 -18.881 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.612 7.544 -17.734 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.320 8.627 -17.256 1.00 0.00 H new ATOM 1685 N CYS A 108 -9.166 11.383 -14.836 1.00 0.00 N ATOM 1686 CA CYS A 108 -9.818 11.825 -13.583 1.00 0.00 C ATOM 1687 C CYS A 108 -9.799 13.364 -13.464 1.00 0.00 C ATOM 1688 O CYS A 108 -10.687 13.956 -12.847 1.00 0.00 O ATOM 1689 CB CYS A 108 -9.138 11.180 -12.351 1.00 0.00 C ATOM 1690 SG CYS A 108 -9.319 9.385 -12.259 1.00 0.00 S ATOM 0 H CYS A 108 -8.227 11.012 -14.691 1.00 0.00 H new ATOM 0 HA CYS A 108 -10.857 11.497 -13.614 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.076 11.426 -12.366 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -9.555 11.623 -11.447 1.00 0.00 H new ATOM 0 HG CYS A 108 -8.714 8.835 -13.270 1.00 0.00 H new ATOM 1695 N ALA A 109 -8.762 13.988 -14.054 1.00 0.00 N ATOM 1696 CA ALA A 109 -8.640 15.450 -14.145 1.00 0.00 C ATOM 1697 C ALA A 109 -9.546 15.981 -15.268 1.00 0.00 C ATOM 1698 O ALA A 109 -10.123 17.070 -15.155 1.00 0.00 O ATOM 1699 CB ALA A 109 -7.177 15.835 -14.382 1.00 0.00 C ATOM 0 H ALA A 109 -7.983 13.487 -14.482 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.962 15.903 -13.208 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -7.092 16.920 -14.449 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.567 15.474 -13.554 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.829 15.386 -15.312 1.00 0.00 H new ATOM 1705 N ALA A 110 -9.672 15.175 -16.342 1.00 0.00 N ATOM 1706 CA ALA A 110 -10.583 15.446 -17.472 1.00 0.00 C ATOM 1707 C ALA A 110 -12.054 15.218 -17.068 1.00 0.00 C ATOM 1708 O ALA A 110 -12.969 15.745 -17.709 1.00 0.00 O ATOM 1709 CB ALA A 110 -10.205 14.578 -18.681 1.00 0.00 C ATOM 0 H ALA A 110 -9.140 14.311 -16.450 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.477 16.494 -17.752 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.885 14.788 -19.507 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.183 14.804 -18.986 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.278 13.525 -18.410 1.00 0.00 H new ATOM 1715 N ALA A 111 -12.257 14.418 -16.006 1.00 0.00 N ATOM 1716 CA ALA A 111 -13.585 14.148 -15.425 1.00 0.00 C ATOM 1717 C ALA A 111 -14.121 15.360 -14.639 1.00 0.00 C ATOM 1718 O ALA A 111 -15.337 15.522 -14.512 1.00 0.00 O ATOM 1719 CB ALA A 111 -13.521 12.918 -14.510 1.00 0.00 C ATOM 0 H ALA A 111 -11.498 13.937 -15.523 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.272 13.954 -16.248 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.507 12.728 -14.086 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.201 12.051 -15.088 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.809 13.100 -13.705 1.00 0.00 H new