USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 588 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 74:sc= 1.05 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0444 USER MOD Single : A 37 GLN : amide:sc= -1.66 K(o=-1.7,f=-3.3!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -5.51! C(o=-5.5!,f=-7.5!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 72 HIS : no HD1:sc= 0.00371 X(o=0.0037,f=-0.048) USER MOD Single : A 77 HIS :FLIP no HD1:sc= -0.341 F(o=-2.3,f=-0.34) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HE2:sc= -0.803 K(o=-0.8,f=-1.7) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -154:sc= 0.821 USER MOD Single : A 92 CYS SG : rot 180:sc= -1.51 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.175 K(o=-0.18,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -17.602 0.112 6.747 1.00 0.00 N ATOM 81 CA ALA A 9 -17.711 -1.257 6.260 1.00 0.00 C ATOM 82 C ALA A 9 -16.948 -2.222 7.161 1.00 0.00 C ATOM 83 O ALA A 9 -16.367 -1.818 8.168 1.00 0.00 O ATOM 84 CB ALA A 9 -17.200 -1.351 4.830 1.00 0.00 C ATOM 0 HA ALA A 9 -18.764 -1.540 6.277 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -17.287 -2.379 4.479 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.791 -0.697 4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.155 -1.044 4.796 1.00 0.00 H new ATOM 90 N ARG A 10 -16.955 -3.499 6.792 1.00 0.00 N ATOM 91 CA ARG A 10 -16.265 -4.522 7.569 1.00 0.00 C ATOM 92 C ARG A 10 -15.242 -5.260 6.709 1.00 0.00 C ATOM 93 O ARG A 10 -15.414 -5.392 5.497 1.00 0.00 O ATOM 94 CB ARG A 10 -17.271 -5.517 8.150 1.00 0.00 C ATOM 95 CG ARG A 10 -18.155 -4.926 9.235 1.00 0.00 C ATOM 96 CD ARG A 10 -18.867 -6.012 10.027 1.00 0.00 C ATOM 97 NE ARG A 10 -20.011 -5.488 10.768 1.00 0.00 N ATOM 98 CZ ARG A 10 -21.196 -5.245 10.217 1.00 0.00 C ATOM 99 NH1 ARG A 10 -21.390 -5.479 8.926 1.00 0.00 N ATOM 100 NH2 ARG A 10 -22.188 -4.769 10.957 1.00 0.00 N ATOM 0 H ARG A 10 -17.430 -3.850 5.960 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.739 -4.029 8.386 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -17.902 -5.895 7.345 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.730 -6.371 8.559 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -17.550 -4.320 9.909 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -18.892 -4.261 8.784 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -19.203 -6.795 9.347 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -18.165 -6.473 10.722 1.00 0.00 H new ATOM 0 HE ARG A 10 -19.894 -5.298 11.763 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -20.629 -5.846 8.354 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -22.300 -5.292 8.505 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -22.042 -4.589 11.950 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -23.097 -4.583 10.533 1.00 0.00 H new ATOM 114 N LEU A 11 -14.178 -5.737 7.345 1.00 0.00 N ATOM 115 CA LEU A 11 -13.126 -6.461 6.639 1.00 0.00 C ATOM 116 C LEU A 11 -13.579 -7.876 6.291 1.00 0.00 C ATOM 117 O LEU A 11 -13.961 -8.650 7.168 1.00 0.00 O ATOM 118 CB LEU A 11 -11.857 -6.515 7.490 1.00 0.00 C ATOM 119 CG LEU A 11 -10.607 -7.062 6.798 1.00 0.00 C ATOM 120 CD1 LEU A 11 -10.192 -6.154 5.650 1.00 0.00 C ATOM 121 CD2 LEU A 11 -9.469 -7.216 7.797 1.00 0.00 C ATOM 0 H LEU A 11 -14.021 -5.636 8.348 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.912 -5.929 5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.639 -5.508 7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.059 -7.127 8.369 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.841 -8.045 6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.301 -6.559 5.170 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.001 -6.094 4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.976 -5.157 6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.588 -7.606 7.288 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.235 -6.245 8.235 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.768 -7.907 8.585 1.00 0.00 H new ATOM 133 N VAL A 12 -13.531 -8.208 5.004 1.00 0.00 N ATOM 134 CA VAL A 12 -13.932 -9.530 4.540 1.00 0.00 C ATOM 135 C VAL A 12 -12.718 -10.423 4.308 1.00 0.00 C ATOM 136 O VAL A 12 -12.694 -11.578 4.733 1.00 0.00 O ATOM 137 CB VAL A 12 -14.749 -9.444 3.237 1.00 0.00 C ATOM 138 CG1 VAL A 12 -15.170 -10.832 2.778 1.00 0.00 C ATOM 139 CG2 VAL A 12 -15.961 -8.546 3.428 1.00 0.00 C ATOM 0 H VAL A 12 -13.218 -7.579 4.265 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.555 -9.964 5.322 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.120 -9.007 2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.746 -10.751 1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.284 -11.441 2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -15.782 -11.300 3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.527 -8.496 2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.594 -8.952 4.217 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -15.632 -7.545 3.706 1.00 0.00 H new ATOM 149 N ALA A 13 -11.711 -9.880 3.632 1.00 0.00 N ATOM 150 CA ALA A 13 -10.493 -10.626 3.346 1.00 0.00 C ATOM 151 C ALA A 13 -9.254 -9.781 3.622 1.00 0.00 C ATOM 152 O ALA A 13 -8.716 -9.138 2.722 1.00 0.00 O ATOM 153 CB ALA A 13 -10.495 -11.106 1.902 1.00 0.00 C ATOM 0 H ALA A 13 -11.715 -8.926 3.272 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.464 -11.493 4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.579 -11.662 1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.356 -11.753 1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.551 -10.247 1.233 1.00 0.00 H new ATOM 159 N GLY A 14 -8.806 -9.787 4.874 1.00 0.00 N ATOM 160 CA GLY A 14 -7.634 -9.016 5.246 1.00 0.00 C ATOM 161 C GLY A 14 -6.503 -9.161 4.247 1.00 0.00 C ATOM 162 O GLY A 14 -6.566 -9.996 3.344 1.00 0.00 O ATOM 0 H GLY A 14 -9.234 -10.312 5.637 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.907 -7.964 5.331 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.289 -9.336 6.229 1.00 0.00 H new ATOM 166 N LEU A 15 -5.467 -8.346 4.407 1.00 0.00 N ATOM 167 CA LEU A 15 -4.317 -8.385 3.511 1.00 0.00 C ATOM 168 C LEU A 15 -3.431 -9.589 3.815 1.00 0.00 C ATOM 169 O LEU A 15 -3.578 -10.234 4.852 1.00 0.00 O ATOM 170 CB LEU A 15 -3.504 -7.095 3.634 1.00 0.00 C ATOM 171 CG LEU A 15 -4.200 -5.817 3.166 1.00 0.00 C ATOM 172 CD1 LEU A 15 -3.616 -4.602 3.870 1.00 0.00 C ATOM 173 CD2 LEU A 15 -4.082 -5.667 1.656 1.00 0.00 C ATOM 0 H LEU A 15 -5.400 -7.650 5.149 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.687 -8.477 2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.218 -6.968 4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.583 -7.214 3.063 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.257 -5.888 3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.124 -3.702 3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.753 -4.705 4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.552 -4.527 3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.583 -4.752 1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.030 -5.619 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.549 -6.523 1.168 1.00 0.00 H new ATOM 185 N GLU A 16 -2.509 -9.884 2.903 1.00 0.00 N ATOM 186 CA GLU A 16 -1.598 -11.009 3.076 1.00 0.00 C ATOM 187 C GLU A 16 -0.145 -10.547 3.016 1.00 0.00 C ATOM 188 O GLU A 16 0.203 -9.655 2.243 1.00 0.00 O ATOM 189 CB GLU A 16 -1.852 -12.069 2.001 1.00 0.00 C ATOM 190 CG GLU A 16 -3.285 -12.573 1.970 1.00 0.00 C ATOM 191 CD GLU A 16 -4.217 -11.634 1.230 1.00 0.00 C ATOM 192 OE1 GLU A 16 -3.789 -11.058 0.208 1.00 0.00 O ATOM 193 OE2 GLU A 16 -5.374 -11.476 1.672 1.00 0.00 O ATOM 0 H GLU A 16 -2.374 -9.360 2.038 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.782 -11.445 4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.601 -11.652 1.025 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.183 -12.913 2.169 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.311 -13.554 1.495 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.643 -12.704 2.991 1.00 0.00 H new ATOM 200 N ASP A 17 0.699 -11.161 3.839 1.00 0.00 N ATOM 201 CA ASP A 17 2.115 -10.814 3.880 1.00 0.00 C ATOM 202 C ASP A 17 2.784 -11.100 2.540 1.00 0.00 C ATOM 203 O ASP A 17 2.444 -12.067 1.858 1.00 0.00 O ATOM 204 CB ASP A 17 2.820 -11.591 4.993 1.00 0.00 C ATOM 205 CG ASP A 17 2.587 -13.086 4.892 1.00 0.00 C ATOM 206 OD1 ASP A 17 2.772 -13.642 3.790 1.00 0.00 O ATOM 207 OD2 ASP A 17 2.217 -13.699 5.916 1.00 0.00 O ATOM 0 H ASP A 17 0.427 -11.901 4.486 1.00 0.00 H new ATOM 0 HA ASP A 17 2.196 -9.747 4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.890 -11.389 4.951 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.466 -11.236 5.961 1.00 0.00 H new ATOM 212 N VAL A 18 3.738 -10.252 2.167 1.00 0.00 N ATOM 213 CA VAL A 18 4.455 -10.414 0.908 1.00 0.00 C ATOM 214 C VAL A 18 5.915 -9.999 1.050 1.00 0.00 C ATOM 215 O VAL A 18 6.244 -9.113 1.838 1.00 0.00 O ATOM 216 CB VAL A 18 3.805 -9.588 -0.218 1.00 0.00 C ATOM 217 CG1 VAL A 18 4.571 -9.765 -1.521 1.00 0.00 C ATOM 218 CG2 VAL A 18 2.345 -9.979 -0.391 1.00 0.00 C ATOM 0 H VAL A 18 4.032 -9.446 2.719 1.00 0.00 H new ATOM 0 HA VAL A 18 4.404 -11.471 0.648 1.00 0.00 H new ATOM 0 HB VAL A 18 3.845 -8.534 0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.097 -9.174 -2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.600 -9.431 -1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.565 -10.817 -1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.902 -9.385 -1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.279 -11.037 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.806 -9.795 0.539 1.00 0.00 H new ATOM 228 N GLN A 19 6.786 -10.646 0.282 1.00 0.00 N ATOM 229 CA GLN A 19 8.212 -10.344 0.323 1.00 0.00 C ATOM 230 C GLN A 19 8.832 -10.455 -1.066 1.00 0.00 C ATOM 231 O GLN A 19 8.686 -11.473 -1.743 1.00 0.00 O ATOM 232 CB GLN A 19 8.927 -11.288 1.291 1.00 0.00 C ATOM 233 CG GLN A 19 9.249 -12.646 0.689 1.00 0.00 C ATOM 234 CD GLN A 19 9.697 -13.654 1.730 1.00 0.00 C ATOM 235 OE1 GLN A 19 8.935 -14.019 2.626 1.00 0.00 O ATOM 236 NE2 GLN A 19 10.940 -14.109 1.617 1.00 0.00 N ATOM 0 H GLN A 19 6.529 -11.382 -0.376 1.00 0.00 H new ATOM 0 HA GLN A 19 8.331 -9.319 0.673 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.852 -10.819 1.626 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.304 -11.430 2.174 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.368 -13.029 0.173 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.032 -12.531 -0.060 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.537 -13.779 0.859 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.297 -14.788 2.289 1.00 0.00 H new ATOM 245 N VAL A 20 9.524 -9.401 -1.486 1.00 0.00 N ATOM 246 CA VAL A 20 10.168 -9.381 -2.794 1.00 0.00 C ATOM 247 C VAL A 20 11.569 -8.786 -2.708 1.00 0.00 C ATOM 248 O VAL A 20 11.894 -8.070 -1.760 1.00 0.00 O ATOM 249 CB VAL A 20 9.341 -8.574 -3.813 1.00 0.00 C ATOM 250 CG1 VAL A 20 8.007 -9.256 -4.078 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.133 -7.150 -3.322 1.00 0.00 C ATOM 0 H VAL A 20 9.653 -8.550 -0.939 1.00 0.00 H new ATOM 0 HA VAL A 20 10.236 -10.416 -3.130 1.00 0.00 H new ATOM 0 HB VAL A 20 9.893 -8.533 -4.752 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.437 -8.672 -4.800 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.182 -10.255 -4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.445 -9.331 -3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.547 -6.595 -4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.602 -7.167 -2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.101 -6.666 -3.189 1.00 0.00 H new ATOM 261 N TYR A 21 12.395 -9.086 -3.704 1.00 0.00 N ATOM 262 CA TYR A 21 13.763 -8.582 -3.741 1.00 0.00 C ATOM 263 C TYR A 21 13.800 -7.144 -4.249 1.00 0.00 C ATOM 264 O TYR A 21 12.843 -6.662 -4.854 1.00 0.00 O ATOM 265 CB TYR A 21 14.632 -9.472 -4.631 1.00 0.00 C ATOM 266 CG TYR A 21 15.015 -10.785 -3.986 1.00 0.00 C ATOM 267 CD1 TYR A 21 14.043 -11.658 -3.513 1.00 0.00 C ATOM 268 CD2 TYR A 21 16.348 -11.152 -3.849 1.00 0.00 C ATOM 269 CE1 TYR A 21 14.388 -12.858 -2.922 1.00 0.00 C ATOM 270 CE2 TYR A 21 16.702 -12.350 -3.260 1.00 0.00 C ATOM 271 CZ TYR A 21 15.718 -13.200 -2.798 1.00 0.00 C ATOM 272 OH TYR A 21 16.067 -14.394 -2.211 1.00 0.00 O ATOM 0 H TYR A 21 12.141 -9.676 -4.497 1.00 0.00 H new ATOM 0 HA TYR A 21 14.158 -8.599 -2.725 1.00 0.00 H new ATOM 0 HB2 TYR A 21 14.098 -9.675 -5.559 1.00 0.00 H new ATOM 0 HB3 TYR A 21 15.539 -8.930 -4.897 1.00 0.00 H new ATOM 0 HD1 TYR A 21 13.000 -11.394 -3.609 1.00 0.00 H new ATOM 0 HD2 TYR A 21 17.121 -10.489 -4.209 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.620 -13.525 -2.559 1.00 0.00 H new ATOM 0 HE2 TYR A 21 17.743 -12.620 -3.162 1.00 0.00 H new ATOM 0 HH TYR A 21 17.043 -14.482 -2.203 1.00 0.00 H new ATOM 282 N ASP A 22 14.914 -6.464 -3.997 1.00 0.00 N ATOM 283 CA ASP A 22 15.079 -5.081 -4.429 1.00 0.00 C ATOM 284 C ASP A 22 14.742 -4.931 -5.910 1.00 0.00 C ATOM 285 O ASP A 22 14.988 -5.834 -6.708 1.00 0.00 O ATOM 286 CB ASP A 22 16.511 -4.611 -4.169 1.00 0.00 C ATOM 287 CG ASP A 22 16.859 -3.358 -4.948 1.00 0.00 C ATOM 288 OD1 ASP A 22 16.151 -2.342 -4.788 1.00 0.00 O ATOM 289 OD2 ASP A 22 17.842 -3.393 -5.718 1.00 0.00 O ATOM 0 H ASP A 22 15.715 -6.848 -3.496 1.00 0.00 H new ATOM 0 HA ASP A 22 14.391 -4.461 -3.853 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.640 -4.421 -3.104 1.00 0.00 H new ATOM 0 HB3 ASP A 22 17.206 -5.407 -4.437 1.00 0.00 H new ATOM 294 N GLY A 23 14.177 -3.782 -6.269 1.00 0.00 N ATOM 295 CA GLY A 23 13.814 -3.534 -7.652 1.00 0.00 C ATOM 296 C GLY A 23 12.504 -4.193 -8.035 1.00 0.00 C ATOM 297 O GLY A 23 11.709 -3.620 -8.780 1.00 0.00 O ATOM 0 H GLY A 23 13.964 -3.019 -5.627 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.738 -2.459 -7.817 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.606 -3.902 -8.304 1.00 0.00 H new ATOM 301 N GLU A 24 12.278 -5.399 -7.525 1.00 0.00 N ATOM 302 CA GLU A 24 11.055 -6.136 -7.820 1.00 0.00 C ATOM 303 C GLU A 24 9.822 -5.292 -7.510 1.00 0.00 C ATOM 304 O GLU A 24 9.931 -4.193 -6.965 1.00 0.00 O ATOM 305 CB GLU A 24 11.011 -7.438 -7.017 1.00 0.00 C ATOM 306 CG GLU A 24 12.197 -8.353 -7.274 1.00 0.00 C ATOM 307 CD GLU A 24 12.318 -8.754 -8.732 1.00 0.00 C ATOM 308 OE1 GLU A 24 11.360 -9.350 -9.265 1.00 0.00 O ATOM 309 OE2 GLU A 24 13.373 -8.471 -9.338 1.00 0.00 O ATOM 0 H GLU A 24 12.925 -5.887 -6.906 1.00 0.00 H new ATOM 0 HA GLU A 24 11.053 -6.374 -8.884 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.972 -7.198 -5.954 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.092 -7.972 -7.258 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.113 -7.851 -6.962 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.100 -9.249 -6.661 1.00 0.00 H new ATOM 316 N ASP A 25 8.652 -5.813 -7.861 1.00 0.00 N ATOM 317 CA ASP A 25 7.398 -5.109 -7.620 1.00 0.00 C ATOM 318 C ASP A 25 6.532 -5.868 -6.619 1.00 0.00 C ATOM 319 O ASP A 25 6.357 -7.081 -6.730 1.00 0.00 O ATOM 320 CB ASP A 25 6.636 -4.917 -8.931 1.00 0.00 C ATOM 321 CG ASP A 25 6.886 -6.042 -9.916 1.00 0.00 C ATOM 322 OD1 ASP A 25 6.397 -7.165 -9.673 1.00 0.00 O ATOM 323 OD2 ASP A 25 7.572 -5.799 -10.932 1.00 0.00 O ATOM 0 H ASP A 25 8.546 -6.721 -8.314 1.00 0.00 H new ATOM 0 HA ASP A 25 7.634 -4.131 -7.200 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.568 -4.852 -8.721 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.930 -3.970 -9.383 1.00 0.00 H new ATOM 328 N ALA A 26 5.993 -5.145 -5.643 1.00 0.00 N ATOM 329 CA ALA A 26 5.144 -5.750 -4.624 1.00 0.00 C ATOM 330 C ALA A 26 3.668 -5.568 -4.960 1.00 0.00 C ATOM 331 O ALA A 26 3.259 -4.521 -5.461 1.00 0.00 O ATOM 332 CB ALA A 26 5.454 -5.156 -3.258 1.00 0.00 C ATOM 0 H ALA A 26 6.129 -4.140 -5.536 1.00 0.00 H new ATOM 0 HA ALA A 26 5.354 -6.819 -4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.813 -5.617 -2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.498 -5.344 -3.008 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.273 -4.081 -3.279 1.00 0.00 H new ATOM 338 N VAL A 27 2.871 -6.595 -4.681 1.00 0.00 N ATOM 339 CA VAL A 27 1.440 -6.548 -4.954 1.00 0.00 C ATOM 340 C VAL A 27 0.631 -6.796 -3.686 1.00 0.00 C ATOM 341 O VAL A 27 0.932 -7.705 -2.912 1.00 0.00 O ATOM 342 CB VAL A 27 1.037 -7.587 -6.018 1.00 0.00 C ATOM 343 CG1 VAL A 27 -0.465 -7.551 -6.257 1.00 0.00 C ATOM 344 CG2 VAL A 27 1.797 -7.344 -7.313 1.00 0.00 C ATOM 0 H VAL A 27 3.193 -7.470 -4.266 1.00 0.00 H new ATOM 0 HA VAL A 27 1.222 -5.549 -5.332 1.00 0.00 H new ATOM 0 HB VAL A 27 1.299 -8.579 -5.650 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.731 -8.291 -7.011 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.987 -7.777 -5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.755 -6.559 -6.604 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.500 -8.087 -8.054 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.568 -6.346 -7.688 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.868 -7.425 -7.127 1.00 0.00 H new ATOM 354 N PHE A 28 -0.398 -5.981 -3.478 1.00 0.00 N ATOM 355 CA PHE A 28 -1.252 -6.111 -2.303 1.00 0.00 C ATOM 356 C PHE A 28 -2.708 -5.818 -2.653 1.00 0.00 C ATOM 357 O PHE A 28 -2.994 -5.027 -3.552 1.00 0.00 O ATOM 358 CB PHE A 28 -0.781 -5.165 -1.197 1.00 0.00 C ATOM 359 CG PHE A 28 0.616 -5.447 -0.721 1.00 0.00 C ATOM 360 CD1 PHE A 28 0.849 -6.401 0.255 1.00 0.00 C ATOM 361 CD2 PHE A 28 1.695 -4.757 -1.250 1.00 0.00 C ATOM 362 CE1 PHE A 28 2.133 -6.664 0.695 1.00 0.00 C ATOM 363 CE2 PHE A 28 2.981 -5.015 -0.815 1.00 0.00 C ATOM 364 CZ PHE A 28 3.200 -5.969 0.160 1.00 0.00 C ATOM 0 H PHE A 28 -0.661 -5.223 -4.108 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.183 -7.139 -1.946 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.832 -4.139 -1.561 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.466 -5.237 -0.352 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.018 -6.946 0.678 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.529 -4.009 -2.011 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.301 -7.412 1.456 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.814 -4.472 -1.237 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.204 -6.171 0.503 1.00 0.00 H new ATOM 374 N SER A 29 -3.624 -6.462 -1.937 1.00 0.00 N ATOM 375 CA SER A 29 -5.050 -6.274 -2.174 1.00 0.00 C ATOM 376 C SER A 29 -5.876 -6.951 -1.084 1.00 0.00 C ATOM 377 O SER A 29 -5.463 -7.962 -0.513 1.00 0.00 O ATOM 378 CB SER A 29 -5.439 -6.833 -3.544 1.00 0.00 C ATOM 379 OG SER A 29 -6.836 -6.734 -3.758 1.00 0.00 O ATOM 0 H SER A 29 -3.404 -7.118 -1.188 1.00 0.00 H new ATOM 0 HA SER A 29 -5.258 -5.204 -2.153 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.909 -6.289 -4.326 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.130 -7.876 -3.616 1.00 0.00 H new ATOM 0 HG SER A 29 -7.073 -5.801 -3.944 1.00 0.00 H new ATOM 385 N LEU A 30 -7.044 -6.386 -0.799 1.00 0.00 N ATOM 386 CA LEU A 30 -7.929 -6.934 0.223 1.00 0.00 C ATOM 387 C LEU A 30 -9.378 -6.930 -0.253 1.00 0.00 C ATOM 388 O LEU A 30 -9.689 -6.407 -1.323 1.00 0.00 O ATOM 389 CB LEU A 30 -7.804 -6.130 1.518 1.00 0.00 C ATOM 390 CG LEU A 30 -8.238 -4.665 1.443 1.00 0.00 C ATOM 391 CD1 LEU A 30 -9.716 -4.528 1.776 1.00 0.00 C ATOM 392 CD2 LEU A 30 -7.397 -3.811 2.381 1.00 0.00 C ATOM 0 H LEU A 30 -7.400 -5.549 -1.261 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.631 -7.965 0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.396 -6.625 2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.765 -6.164 1.844 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.082 -4.312 0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.006 -3.479 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.304 -5.108 1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.898 -4.899 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.720 -2.772 2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.521 -4.165 3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.347 -3.884 2.097 1.00 0.00 H new ATOM 404 N ASP A 31 -10.261 -7.516 0.549 1.00 0.00 N ATOM 405 CA ASP A 31 -11.678 -7.577 0.211 1.00 0.00 C ATOM 406 C ASP A 31 -12.531 -7.004 1.339 1.00 0.00 C ATOM 407 O ASP A 31 -12.213 -7.169 2.518 1.00 0.00 O ATOM 408 CB ASP A 31 -12.094 -9.021 -0.075 1.00 0.00 C ATOM 409 CG ASP A 31 -11.231 -9.672 -1.139 1.00 0.00 C ATOM 410 OD1 ASP A 31 -10.020 -9.852 -0.891 1.00 0.00 O ATOM 411 OD2 ASP A 31 -11.765 -9.999 -2.219 1.00 0.00 O ATOM 0 H ASP A 31 -10.020 -7.955 1.437 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.839 -6.976 -0.684 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.033 -9.603 0.845 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.136 -9.039 -0.395 1.00 0.00 H new ATOM 416 N LEU A 32 -13.614 -6.329 0.970 1.00 0.00 N ATOM 417 CA LEU A 32 -14.512 -5.729 1.950 1.00 0.00 C ATOM 418 C LEU A 32 -15.954 -6.159 1.702 1.00 0.00 C ATOM 419 O LEU A 32 -16.290 -6.645 0.622 1.00 0.00 O ATOM 420 CB LEU A 32 -14.408 -4.204 1.902 1.00 0.00 C ATOM 421 CG LEU A 32 -13.000 -3.623 2.042 1.00 0.00 C ATOM 422 CD1 LEU A 32 -13.035 -2.107 1.927 1.00 0.00 C ATOM 423 CD2 LEU A 32 -12.379 -4.045 3.365 1.00 0.00 C ATOM 0 H LEU A 32 -13.891 -6.184 -0.001 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.213 -6.076 2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.829 -3.861 0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.030 -3.792 2.697 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.383 -4.014 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.025 -1.711 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.439 -1.825 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.667 -1.697 2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.378 -3.623 3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.995 -3.683 4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.319 -5.132 3.408 1.00 0.00 H new ATOM 435 N SER A 33 -16.803 -5.976 2.708 1.00 0.00 N ATOM 436 CA SER A 33 -18.209 -6.346 2.599 1.00 0.00 C ATOM 437 C SER A 33 -18.980 -5.319 1.774 1.00 0.00 C ATOM 438 O SER A 33 -20.017 -5.628 1.188 1.00 0.00 O ATOM 439 CB SER A 33 -18.834 -6.473 3.990 1.00 0.00 C ATOM 440 OG SER A 33 -19.979 -7.308 3.961 1.00 0.00 O ATOM 0 H SER A 33 -16.542 -5.574 3.608 1.00 0.00 H new ATOM 0 HA SER A 33 -18.267 -7.310 2.093 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.101 -6.881 4.686 1.00 0.00 H new ATOM 0 HB3 SER A 33 -19.110 -5.485 4.360 1.00 0.00 H new ATOM 0 HG SER A 33 -20.359 -7.374 4.862 1.00 0.00 H new ATOM 446 N THR A 34 -18.464 -4.095 1.734 1.00 0.00 N ATOM 447 CA THR A 34 -19.102 -3.021 0.983 1.00 0.00 C ATOM 448 C THR A 34 -18.067 -2.053 0.421 1.00 0.00 C ATOM 449 O THR A 34 -16.867 -2.216 0.642 1.00 0.00 O ATOM 450 CB THR A 34 -20.098 -2.238 1.859 1.00 0.00 C ATOM 451 OG1 THR A 34 -21.046 -1.554 1.032 1.00 0.00 O ATOM 452 CG2 THR A 34 -19.371 -1.234 2.741 1.00 0.00 C ATOM 0 H THR A 34 -17.606 -3.823 2.213 1.00 0.00 H new ATOM 0 HA THR A 34 -19.643 -3.489 0.160 1.00 0.00 H new ATOM 0 HB THR A 34 -20.620 -2.949 2.499 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.676 -1.060 1.597 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.095 -0.693 3.350 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.671 -1.760 3.390 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.825 -0.528 2.115 1.00 0.00 H new ATOM 460 N ILE A 35 -18.540 -1.046 -0.305 1.00 0.00 N ATOM 461 CA ILE A 35 -17.654 -0.051 -0.897 1.00 0.00 C ATOM 462 C ILE A 35 -17.295 1.035 0.111 1.00 0.00 C ATOM 463 O ILE A 35 -18.119 1.423 0.940 1.00 0.00 O ATOM 464 CB ILE A 35 -18.293 0.606 -2.136 1.00 0.00 C ATOM 465 CG1 ILE A 35 -19.006 -0.447 -2.987 1.00 0.00 C ATOM 466 CG2 ILE A 35 -17.237 1.331 -2.955 1.00 0.00 C ATOM 467 CD1 ILE A 35 -19.974 0.141 -3.990 1.00 0.00 C ATOM 0 H ILE A 35 -19.531 -0.897 -0.497 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.748 -0.576 -1.200 1.00 0.00 H new ATOM 0 HB ILE A 35 -19.030 1.337 -1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -18.260 -1.039 -3.518 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -19.546 -1.129 -2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -17.704 1.790 -3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -16.770 2.104 -2.344 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.478 0.620 -3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -20.443 -0.663 -4.558 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -20.741 0.710 -3.465 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -19.436 0.801 -4.671 1.00 0.00 H new ATOM 479 N ILE A 36 -16.062 1.523 0.033 1.00 0.00 N ATOM 480 CA ILE A 36 -15.595 2.566 0.937 1.00 0.00 C ATOM 481 C ILE A 36 -14.230 3.095 0.509 1.00 0.00 C ATOM 482 O ILE A 36 -13.464 2.397 -0.155 1.00 0.00 O ATOM 483 CB ILE A 36 -15.503 2.055 2.387 1.00 0.00 C ATOM 484 CG1 ILE A 36 -15.352 3.230 3.357 1.00 0.00 C ATOM 485 CG2 ILE A 36 -14.339 1.087 2.535 1.00 0.00 C ATOM 486 CD1 ILE A 36 -15.573 2.851 4.804 1.00 0.00 C ATOM 0 H ILE A 36 -15.368 1.213 -0.647 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.326 3.373 0.890 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.424 1.525 2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.353 3.654 3.249 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.061 4.011 3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.287 0.735 3.565 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.485 0.237 1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.409 1.594 2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.450 3.732 5.434 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.581 2.455 4.927 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -14.847 2.092 5.096 1.00 0.00 H new ATOM 498 N GLN A 37 -13.932 4.331 0.895 1.00 0.00 N ATOM 499 CA GLN A 37 -12.659 4.953 0.552 1.00 0.00 C ATOM 500 C GLN A 37 -11.832 5.228 1.803 1.00 0.00 C ATOM 501 O GLN A 37 -12.191 6.072 2.623 1.00 0.00 O ATOM 502 CB GLN A 37 -12.893 6.255 -0.216 1.00 0.00 C ATOM 503 CG GLN A 37 -11.636 7.090 -0.395 1.00 0.00 C ATOM 504 CD GLN A 37 -11.406 8.053 0.753 1.00 0.00 C ATOM 505 OE1 GLN A 37 -12.354 8.529 1.378 1.00 0.00 O ATOM 506 NE2 GLN A 37 -10.143 8.346 1.038 1.00 0.00 N ATOM 0 H GLN A 37 -14.555 4.922 1.446 1.00 0.00 H new ATOM 0 HA GLN A 37 -12.105 4.261 -0.082 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.305 6.019 -1.197 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.641 6.848 0.310 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.775 6.428 -0.487 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -11.707 7.652 -1.326 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.388 7.929 0.494 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.928 8.988 1.801 1.00 0.00 H new ATOM 515 N GLY A 38 -10.723 4.508 1.944 1.00 0.00 N ATOM 516 CA GLY A 38 -9.863 4.689 3.099 1.00 0.00 C ATOM 517 C GLY A 38 -8.533 5.320 2.738 1.00 0.00 C ATOM 518 O GLY A 38 -8.446 6.110 1.797 1.00 0.00 O ATOM 0 H GLY A 38 -10.405 3.803 1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.372 5.315 3.832 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.687 3.723 3.572 1.00 0.00 H new ATOM 522 N THR A 39 -7.492 4.974 3.490 1.00 0.00 N ATOM 523 CA THR A 39 -6.161 5.514 3.246 1.00 0.00 C ATOM 524 C THR A 39 -5.094 4.434 3.391 1.00 0.00 C ATOM 525 O THR A 39 -5.119 3.647 4.337 1.00 0.00 O ATOM 526 CB THR A 39 -5.838 6.670 4.211 1.00 0.00 C ATOM 527 OG1 THR A 39 -6.727 7.768 3.974 1.00 0.00 O ATOM 528 CG2 THR A 39 -4.399 7.131 4.041 1.00 0.00 C ATOM 0 H THR A 39 -7.546 4.322 4.273 1.00 0.00 H new ATOM 0 HA THR A 39 -6.156 5.891 2.223 1.00 0.00 H new ATOM 0 HB THR A 39 -5.969 6.310 5.231 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.517 8.499 4.592 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.195 7.948 4.733 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.724 6.301 4.250 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.246 7.475 3.018 1.00 0.00 H new ATOM 536 N TRP A 40 -4.160 4.402 2.448 1.00 0.00 N ATOM 537 CA TRP A 40 -3.083 3.418 2.472 1.00 0.00 C ATOM 538 C TRP A 40 -1.862 3.965 3.203 1.00 0.00 C ATOM 539 O TRP A 40 -1.449 5.102 2.977 1.00 0.00 O ATOM 540 CB TRP A 40 -2.702 3.015 1.047 1.00 0.00 C ATOM 541 CG TRP A 40 -3.636 2.010 0.444 1.00 0.00 C ATOM 542 CD1 TRP A 40 -4.728 2.270 -0.334 1.00 0.00 C ATOM 543 CD2 TRP A 40 -3.561 0.586 0.570 1.00 0.00 C ATOM 544 NE1 TRP A 40 -5.337 1.093 -0.698 1.00 0.00 N ATOM 545 CE2 TRP A 40 -4.639 0.045 -0.157 1.00 0.00 C ATOM 546 CE3 TRP A 40 -2.686 -0.286 1.225 1.00 0.00 C ATOM 547 CZ2 TRP A 40 -4.865 -1.326 -0.245 1.00 0.00 C ATOM 548 CZ3 TRP A 40 -2.912 -1.646 1.137 1.00 0.00 C ATOM 549 CH2 TRP A 40 -3.993 -2.156 0.406 1.00 0.00 C ATOM 0 H TRP A 40 -4.126 5.045 1.657 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.439 2.538 3.008 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.682 3.905 0.418 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.692 2.605 1.051 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.064 3.256 -0.621 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -6.173 1.012 -1.277 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.849 0.097 1.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -5.699 -1.720 -0.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.243 -2.328 1.641 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.141 -3.225 0.355 1.00 0.00 H new ATOM 560 N PHE A 41 -1.289 3.148 4.081 1.00 0.00 N ATOM 561 CA PHE A 41 -0.114 3.551 4.846 1.00 0.00 C ATOM 562 C PHE A 41 1.090 2.682 4.492 1.00 0.00 C ATOM 563 O PHE A 41 0.941 1.582 3.958 1.00 0.00 O ATOM 564 CB PHE A 41 -0.401 3.459 6.346 1.00 0.00 C ATOM 565 CG PHE A 41 -1.117 4.659 6.894 1.00 0.00 C ATOM 566 CD1 PHE A 41 -2.483 4.810 6.713 1.00 0.00 C ATOM 567 CD2 PHE A 41 -0.426 5.637 7.591 1.00 0.00 C ATOM 568 CE1 PHE A 41 -3.144 5.914 7.216 1.00 0.00 C ATOM 569 CE2 PHE A 41 -1.083 6.743 8.097 1.00 0.00 C ATOM 570 CZ PHE A 41 -2.444 6.881 7.910 1.00 0.00 C ATOM 0 H PHE A 41 -1.619 2.204 4.280 1.00 0.00 H new ATOM 0 HA PHE A 41 0.119 4.585 4.590 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.000 2.569 6.539 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.540 3.332 6.881 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.037 4.056 6.173 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.639 5.534 7.741 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.208 6.021 7.066 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.532 7.498 8.638 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.960 7.743 8.306 1.00 0.00 H new ATOM 580 N LEU A 42 2.282 3.184 4.793 1.00 0.00 N ATOM 581 CA LEU A 42 3.513 2.456 4.507 1.00 0.00 C ATOM 582 C LEU A 42 4.552 2.691 5.598 1.00 0.00 C ATOM 583 O LEU A 42 4.983 3.821 5.825 1.00 0.00 O ATOM 584 CB LEU A 42 4.077 2.881 3.150 1.00 0.00 C ATOM 585 CG LEU A 42 5.119 1.947 2.534 1.00 0.00 C ATOM 586 CD1 LEU A 42 4.455 0.692 1.988 1.00 0.00 C ATOM 587 CD2 LEU A 42 5.894 2.662 1.437 1.00 0.00 C ATOM 0 H LEU A 42 2.422 4.092 5.235 1.00 0.00 H new ATOM 0 HA LEU A 42 3.278 1.392 4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.248 2.980 2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.523 3.870 3.258 1.00 0.00 H new ATOM 0 HG LEU A 42 5.821 1.652 3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.212 0.039 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.946 0.168 2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.731 0.968 1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.631 1.982 1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.205 2.987 0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.402 3.530 1.857 1.00 0.00 H new ATOM 599 N ASN A 43 4.950 1.617 6.271 1.00 0.00 N ATOM 600 CA ASN A 43 5.940 1.706 7.338 1.00 0.00 C ATOM 601 C ASN A 43 5.611 2.852 8.290 1.00 0.00 C ATOM 602 O ASN A 43 6.474 3.663 8.623 1.00 0.00 O ATOM 603 CB ASN A 43 7.339 1.902 6.750 1.00 0.00 C ATOM 604 CG ASN A 43 7.442 3.162 5.911 1.00 0.00 C ATOM 605 OD1 ASN A 43 7.298 4.273 6.420 1.00 0.00 O ATOM 606 ND2 ASN A 43 7.692 2.992 4.618 1.00 0.00 N ATOM 0 H ASN A 43 4.602 0.674 6.096 1.00 0.00 H new ATOM 0 HA ASN A 43 5.917 0.772 7.900 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.067 1.947 7.560 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.597 1.038 6.137 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.772 3.802 4.003 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.804 2.051 4.240 1.00 0.00 H new ATOM 613 N GLY A 44 4.356 2.912 8.725 1.00 0.00 N ATOM 614 CA GLY A 44 3.935 3.961 9.634 1.00 0.00 C ATOM 615 C GLY A 44 3.601 5.253 8.915 1.00 0.00 C ATOM 616 O GLY A 44 2.734 6.008 9.353 1.00 0.00 O ATOM 0 H GLY A 44 3.623 2.252 8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.062 3.624 10.193 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.726 4.147 10.360 1.00 0.00 H new ATOM 620 N GLU A 45 4.292 5.508 7.808 1.00 0.00 N ATOM 621 CA GLU A 45 4.065 6.719 7.028 1.00 0.00 C ATOM 622 C GLU A 45 2.721 6.657 6.307 1.00 0.00 C ATOM 623 O GLU A 45 2.144 5.583 6.140 1.00 0.00 O ATOM 624 CB GLU A 45 5.192 6.918 6.013 1.00 0.00 C ATOM 625 CG GLU A 45 6.398 7.648 6.578 1.00 0.00 C ATOM 626 CD GLU A 45 7.687 7.286 5.865 1.00 0.00 C ATOM 627 OE1 GLU A 45 7.761 7.486 4.635 1.00 0.00 O ATOM 628 OE2 GLU A 45 8.620 6.802 6.539 1.00 0.00 O ATOM 0 H GLU A 45 5.013 4.893 7.432 1.00 0.00 H new ATOM 0 HA GLU A 45 4.051 7.565 7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.509 5.944 5.640 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.807 7.476 5.160 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.235 8.723 6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.496 7.414 7.638 1.00 0.00 H new ATOM 635 N GLU A 46 2.229 7.818 5.884 1.00 0.00 N ATOM 636 CA GLU A 46 0.953 7.896 5.183 1.00 0.00 C ATOM 637 C GLU A 46 1.165 8.166 3.696 1.00 0.00 C ATOM 638 O GLU A 46 2.131 8.823 3.304 1.00 0.00 O ATOM 639 CB GLU A 46 0.077 8.993 5.792 1.00 0.00 C ATOM 640 CG GLU A 46 -1.384 8.901 5.385 1.00 0.00 C ATOM 641 CD GLU A 46 -2.280 9.789 6.226 1.00 0.00 C ATOM 642 OE1 GLU A 46 -1.874 10.932 6.524 1.00 0.00 O ATOM 643 OE2 GLU A 46 -3.389 9.341 6.586 1.00 0.00 O ATOM 0 H GLU A 46 2.695 8.716 6.015 1.00 0.00 H new ATOM 0 HA GLU A 46 0.448 6.936 5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.147 8.941 6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.468 9.966 5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.483 9.180 4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.718 7.867 5.473 1.00 0.00 H new ATOM 650 N LEU A 47 0.257 7.655 2.873 1.00 0.00 N ATOM 651 CA LEU A 47 0.343 7.840 1.428 1.00 0.00 C ATOM 652 C LEU A 47 -0.697 8.845 0.945 1.00 0.00 C ATOM 653 O LEU A 47 -1.865 8.781 1.330 1.00 0.00 O ATOM 654 CB LEU A 47 0.149 6.503 0.710 1.00 0.00 C ATOM 655 CG LEU A 47 1.192 5.425 1.007 1.00 0.00 C ATOM 656 CD1 LEU A 47 0.678 4.056 0.587 1.00 0.00 C ATOM 657 CD2 LEU A 47 2.503 5.743 0.304 1.00 0.00 C ATOM 0 H LEU A 47 -0.548 7.109 3.181 1.00 0.00 H new ATOM 0 HA LEU A 47 1.334 8.230 1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.834 6.112 0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.142 6.688 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 47 1.374 5.409 2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.433 3.301 0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.235 3.826 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.467 4.059 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.233 4.965 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.337 5.788 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.879 6.705 0.653 1.00 0.00 H new ATOM 910 N ARG A 64 0.330 1.919 -7.261 1.00 0.00 N ATOM 911 CA ARG A 64 -0.921 1.888 -8.009 1.00 0.00 C ATOM 912 C ARG A 64 -2.079 1.454 -7.114 1.00 0.00 C ATOM 913 O ARG A 64 -2.171 0.290 -6.724 1.00 0.00 O ATOM 914 CB ARG A 64 -0.803 0.941 -9.204 1.00 0.00 C ATOM 915 CG ARG A 64 -1.981 1.019 -10.162 1.00 0.00 C ATOM 916 CD ARG A 64 -1.562 0.694 -11.587 1.00 0.00 C ATOM 917 NE ARG A 64 -1.090 1.878 -12.301 1.00 0.00 N ATOM 918 CZ ARG A 64 -1.899 2.756 -12.883 1.00 0.00 C ATOM 919 NH1 ARG A 64 -3.213 2.586 -12.834 1.00 0.00 N ATOM 920 NH2 ARG A 64 -1.394 3.809 -13.514 1.00 0.00 N ATOM 0 HA ARG A 64 -1.123 2.896 -8.372 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.113 1.169 -9.749 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.710 -0.082 -8.839 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.758 0.324 -9.843 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.414 2.019 -10.128 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.773 -0.058 -11.571 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.406 0.259 -12.123 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.084 2.039 -12.356 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.605 1.779 -12.348 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.832 3.262 -13.282 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.384 3.944 -13.552 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.016 4.483 -13.961 1.00 0.00 H new ATOM 934 N ILE A 65 -2.958 2.397 -6.793 1.00 0.00 N ATOM 935 CA ILE A 65 -4.109 2.112 -5.946 1.00 0.00 C ATOM 936 C ILE A 65 -5.389 2.023 -6.769 1.00 0.00 C ATOM 937 O ILE A 65 -5.824 3.007 -7.366 1.00 0.00 O ATOM 938 CB ILE A 65 -4.286 3.186 -4.856 1.00 0.00 C ATOM 939 CG1 ILE A 65 -3.055 3.230 -3.948 1.00 0.00 C ATOM 940 CG2 ILE A 65 -5.541 2.912 -4.042 1.00 0.00 C ATOM 941 CD1 ILE A 65 -2.795 4.594 -3.348 1.00 0.00 C ATOM 0 H ILE A 65 -2.895 3.365 -7.107 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.919 1.150 -5.469 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.394 4.158 -5.338 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.181 2.506 -3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.180 2.921 -4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.652 3.679 -3.276 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.411 2.926 -4.699 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.460 1.934 -3.567 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.908 4.550 -2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.637 5.319 -4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.653 4.897 -2.748 1.00 0.00 H new ATOM 953 N GLU A 66 -5.989 0.837 -6.795 1.00 0.00 N ATOM 954 CA GLU A 66 -7.221 0.621 -7.544 1.00 0.00 C ATOM 955 C GLU A 66 -8.370 0.255 -6.609 1.00 0.00 C ATOM 956 O GLU A 66 -8.219 -0.588 -5.725 1.00 0.00 O ATOM 957 CB GLU A 66 -7.024 -0.484 -8.585 1.00 0.00 C ATOM 958 CG GLU A 66 -5.985 -0.147 -9.641 1.00 0.00 C ATOM 959 CD GLU A 66 -6.574 0.601 -10.821 1.00 0.00 C ATOM 960 OE1 GLU A 66 -7.789 0.452 -11.070 1.00 0.00 O ATOM 961 OE2 GLU A 66 -5.822 1.335 -11.495 1.00 0.00 O ATOM 0 H GLU A 66 -5.642 0.012 -6.306 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.473 1.551 -8.054 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.729 -1.402 -8.077 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.977 -0.684 -9.075 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.197 0.456 -9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.520 -1.067 -9.994 1.00 0.00 H new ATOM 1014 N LEU A 70 -15.543 -2.697 -3.018 1.00 0.00 N ATOM 1015 CA LEU A 70 -14.973 -3.539 -1.972 1.00 0.00 C ATOM 1016 C LEU A 70 -13.766 -4.313 -2.493 1.00 0.00 C ATOM 1017 O LEU A 70 -13.486 -5.422 -2.038 1.00 0.00 O ATOM 1018 CB LEU A 70 -16.027 -4.512 -1.441 1.00 0.00 C ATOM 1019 CG LEU A 70 -17.142 -4.891 -2.417 1.00 0.00 C ATOM 1020 CD1 LEU A 70 -17.664 -6.287 -2.115 1.00 0.00 C ATOM 1021 CD2 LEU A 70 -18.272 -3.873 -2.358 1.00 0.00 C ATOM 0 HA LEU A 70 -14.643 -2.892 -1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.523 -5.425 -1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.482 -4.074 -0.553 1.00 0.00 H new ATOM 0 HG LEU A 70 -16.731 -4.889 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.457 -6.539 -2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.852 -7.008 -2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -18.058 -6.316 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -19.056 -4.159 -3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -18.681 -3.842 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -17.889 -2.888 -2.624 1.00 0.00 H new ATOM 1033 N GLN A 71 -13.056 -3.720 -3.447 1.00 0.00 N ATOM 1034 CA GLN A 71 -11.878 -4.354 -4.028 1.00 0.00 C ATOM 1035 C GLN A 71 -10.715 -3.371 -4.110 1.00 0.00 C ATOM 1036 O GLN A 71 -10.588 -2.624 -5.081 1.00 0.00 O ATOM 1037 CB GLN A 71 -12.201 -4.899 -5.420 1.00 0.00 C ATOM 1038 CG GLN A 71 -11.112 -5.792 -5.992 1.00 0.00 C ATOM 1039 CD GLN A 71 -11.506 -6.420 -7.314 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -12.598 -6.974 -7.451 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -10.618 -6.337 -8.297 1.00 0.00 N ATOM 0 H GLN A 71 -13.275 -2.802 -3.834 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.585 -5.181 -3.381 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.133 -5.462 -5.373 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.367 -4.063 -6.099 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.203 -5.207 -6.129 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.880 -6.579 -5.275 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.725 -5.869 -8.140 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.828 -6.741 -9.210 1.00 0.00 H new ATOM 1050 N HIS A 72 -9.869 -3.376 -3.085 1.00 0.00 N ATOM 1051 CA HIS A 72 -8.715 -2.484 -3.042 1.00 0.00 C ATOM 1052 C HIS A 72 -7.439 -3.228 -3.422 1.00 0.00 C ATOM 1053 O HIS A 72 -7.291 -4.416 -3.133 1.00 0.00 O ATOM 1054 CB HIS A 72 -8.568 -1.874 -1.648 1.00 0.00 C ATOM 1055 CG HIS A 72 -9.661 -0.913 -1.295 1.00 0.00 C ATOM 1056 ND1 HIS A 72 -9.525 0.455 -1.403 1.00 0.00 N ATOM 1057 CD2 HIS A 72 -10.916 -1.130 -0.837 1.00 0.00 C ATOM 1058 CE1 HIS A 72 -10.648 1.038 -1.024 1.00 0.00 C ATOM 1059 NE2 HIS A 72 -11.509 0.099 -0.676 1.00 0.00 N ATOM 0 H HIS A 72 -9.960 -3.987 -2.273 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.877 -1.685 -3.765 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.549 -2.676 -0.910 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.609 -1.360 -1.585 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.367 -2.090 -0.636 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -10.831 2.102 -1.002 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -12.459 0.260 -0.342 1.00 0.00 H new ATOM 1067 N ARG A 73 -6.520 -2.522 -4.073 1.00 0.00 N ATOM 1068 CA ARG A 73 -5.257 -3.117 -4.495 1.00 0.00 C ATOM 1069 C ARG A 73 -4.162 -2.059 -4.585 1.00 0.00 C ATOM 1070 O ARG A 73 -4.363 -0.988 -5.160 1.00 0.00 O ATOM 1071 CB ARG A 73 -5.423 -3.812 -5.848 1.00 0.00 C ATOM 1072 CG ARG A 73 -4.143 -4.447 -6.367 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.391 -5.238 -7.642 1.00 0.00 C ATOM 1074 NE ARG A 73 -4.791 -4.376 -8.751 1.00 0.00 N ATOM 1075 CZ ARG A 73 -5.488 -4.802 -9.799 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -5.861 -6.072 -9.879 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -5.814 -3.958 -10.769 1.00 0.00 N ATOM 0 H ARG A 73 -6.626 -1.538 -4.320 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.964 -3.856 -3.749 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.191 -4.581 -5.760 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.781 -3.086 -6.578 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.402 -3.671 -6.557 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.727 -5.105 -5.604 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.486 -5.782 -7.913 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.168 -5.981 -7.462 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.520 -3.393 -8.719 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.613 -6.724 -9.135 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.396 -6.397 -10.684 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.530 -2.980 -10.711 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.349 -4.287 -11.573 1.00 0.00 H new ATOM 1091 N LEU A 74 -3.002 -2.365 -4.014 1.00 0.00 N ATOM 1092 CA LEU A 74 -1.874 -1.440 -4.029 1.00 0.00 C ATOM 1093 C LEU A 74 -0.595 -2.149 -4.463 1.00 0.00 C ATOM 1094 O LEU A 74 -0.068 -2.997 -3.742 1.00 0.00 O ATOM 1095 CB LEU A 74 -1.681 -0.818 -2.645 1.00 0.00 C ATOM 1096 CG LEU A 74 -0.359 -0.084 -2.418 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -0.421 1.320 -3.000 1.00 0.00 C ATOM 1098 CD2 LEU A 74 -0.024 -0.034 -0.935 1.00 0.00 C ATOM 0 H LEU A 74 -2.818 -3.246 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.092 -0.651 -4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.497 -0.118 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.768 -1.607 -1.898 1.00 0.00 H new ATOM 0 HG LEU A 74 0.431 -0.633 -2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.529 1.827 -2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.613 1.262 -4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.223 1.879 -2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.920 0.492 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.816 0.491 -0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.064 -1.049 -0.548 1.00 0.00 H new ATOM 1110 N ILE A 75 -0.100 -1.795 -5.645 1.00 0.00 N ATOM 1111 CA ILE A 75 1.119 -2.395 -6.173 1.00 0.00 C ATOM 1112 C ILE A 75 2.285 -1.415 -6.111 1.00 0.00 C ATOM 1113 O ILE A 75 2.218 -0.317 -6.665 1.00 0.00 O ATOM 1114 CB ILE A 75 0.932 -2.862 -7.629 1.00 0.00 C ATOM 1115 CG1 ILE A 75 -0.249 -3.829 -7.729 1.00 0.00 C ATOM 1116 CG2 ILE A 75 2.205 -3.516 -8.143 1.00 0.00 C ATOM 1117 CD1 ILE A 75 -1.569 -3.145 -8.011 1.00 0.00 C ATOM 0 H ILE A 75 -0.525 -1.096 -6.255 1.00 0.00 H new ATOM 0 HA ILE A 75 1.341 -3.260 -5.548 1.00 0.00 H new ATOM 0 HB ILE A 75 0.718 -1.992 -8.250 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.049 -4.554 -8.518 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.331 -4.388 -6.797 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.057 -3.841 -9.173 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.024 -2.798 -8.103 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.447 -4.378 -7.522 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.361 -3.892 -8.069 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.792 -2.441 -7.210 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.506 -2.609 -8.958 1.00 0.00 H new ATOM 1129 N LEU A 76 3.355 -1.819 -5.435 1.00 0.00 N ATOM 1130 CA LEU A 76 4.539 -0.977 -5.302 1.00 0.00 C ATOM 1131 C LEU A 76 5.674 -1.490 -6.183 1.00 0.00 C ATOM 1132 O LEU A 76 6.397 -2.413 -5.807 1.00 0.00 O ATOM 1133 CB LEU A 76 4.994 -0.929 -3.842 1.00 0.00 C ATOM 1134 CG LEU A 76 3.916 -0.582 -2.815 1.00 0.00 C ATOM 1135 CD1 LEU A 76 4.234 -1.218 -1.471 1.00 0.00 C ATOM 1136 CD2 LEU A 76 3.780 0.927 -2.674 1.00 0.00 C ATOM 0 H LEU A 76 3.427 -2.724 -4.971 1.00 0.00 H new ATOM 0 HA LEU A 76 4.277 0.030 -5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.417 -1.899 -3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.798 -0.198 -3.757 1.00 0.00 H new ATOM 0 HG LEU A 76 2.965 -0.982 -3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.456 -0.960 -0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.280 -2.301 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.195 -0.849 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.008 1.156 -1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.730 1.349 -2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.504 1.359 -3.636 1.00 0.00 H new ATOM 1148 N HIS A 77 5.825 -0.884 -7.357 1.00 0.00 N ATOM 1149 CA HIS A 77 6.874 -1.278 -8.291 1.00 0.00 C ATOM 1150 C HIS A 77 8.200 -0.616 -7.929 1.00 0.00 C ATOM 1151 O HIS A 77 8.241 0.565 -7.583 1.00 0.00 O ATOM 1152 CB HIS A 77 6.478 -0.908 -9.721 1.00 0.00 C ATOM 1153 CG HIS A 77 5.003 -0.976 -9.971 1.00 0.00 C ATOM 1154 ND1 HIS A 77 4.028 -0.059 -9.772 1.00 0.00 N flip ATOM 1155 CD2 HIS A 77 4.378 -2.092 -10.487 1.00 0.00 C flip ATOM 1156 CE1 HIS A 77 2.844 -0.631 -10.168 1.00 0.00 C flip ATOM 1157 NE2 HIS A 77 3.083 -1.857 -10.595 1.00 0.00 N flip ATOM 0 H HIS A 77 5.235 -0.119 -7.684 1.00 0.00 H new ATOM 0 HA HIS A 77 6.998 -2.359 -8.225 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.828 0.101 -9.937 1.00 0.00 H new ATOM 0 HB3 HIS A 77 6.987 -1.577 -10.415 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.870 -3.014 -10.760 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.875 -0.155 -10.135 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.386 -2.512 -10.949 1.00 0.00 H new ATOM 1166 N ALA A 78 9.281 -1.384 -8.011 1.00 0.00 N ATOM 1167 CA ALA A 78 10.608 -0.871 -7.694 1.00 0.00 C ATOM 1168 C ALA A 78 10.767 -0.649 -6.194 1.00 0.00 C ATOM 1169 O ALA A 78 11.110 0.448 -5.751 1.00 0.00 O ATOM 1170 CB ALA A 78 10.869 0.423 -8.452 1.00 0.00 C ATOM 0 H ALA A 78 9.264 -2.364 -8.294 1.00 0.00 H new ATOM 0 HA ALA A 78 11.342 -1.615 -8.004 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.864 0.795 -8.206 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.807 0.236 -9.524 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.124 1.167 -8.170 1.00 0.00 H new ATOM 1176 N VAL A 79 10.514 -1.696 -5.415 1.00 0.00 N ATOM 1177 CA VAL A 79 10.629 -1.615 -3.964 1.00 0.00 C ATOM 1178 C VAL A 79 12.089 -1.633 -3.527 1.00 0.00 C ATOM 1179 O VAL A 79 12.813 -2.597 -3.779 1.00 0.00 O ATOM 1180 CB VAL A 79 9.884 -2.775 -3.276 1.00 0.00 C ATOM 1181 CG1 VAL A 79 8.402 -2.734 -3.616 1.00 0.00 C ATOM 1182 CG2 VAL A 79 10.494 -4.110 -3.675 1.00 0.00 C ATOM 0 H VAL A 79 10.228 -2.610 -5.765 1.00 0.00 H new ATOM 0 HA VAL A 79 10.174 -0.671 -3.663 1.00 0.00 H new ATOM 0 HB VAL A 79 9.988 -2.662 -2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.892 -3.561 -3.121 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.977 -1.790 -3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.274 -2.822 -4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 79 9.956 -4.918 -3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.422 -4.234 -4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.542 -4.135 -3.376 1.00 0.00 H new ATOM 1192 N LYS A 80 12.517 -0.561 -2.868 1.00 0.00 N ATOM 1193 CA LYS A 80 13.891 -0.453 -2.393 1.00 0.00 C ATOM 1194 C LYS A 80 14.081 -1.230 -1.094 1.00 0.00 C ATOM 1195 O LYS A 80 13.168 -1.317 -0.272 1.00 0.00 O ATOM 1196 CB LYS A 80 14.265 1.016 -2.180 1.00 0.00 C ATOM 1197 CG LYS A 80 14.366 1.811 -3.470 1.00 0.00 C ATOM 1198 CD LYS A 80 13.001 2.280 -3.945 1.00 0.00 C ATOM 1199 CE LYS A 80 13.103 3.082 -5.233 1.00 0.00 C ATOM 1200 NZ LYS A 80 13.358 4.525 -4.969 1.00 0.00 N ATOM 0 H LYS A 80 11.931 0.245 -2.651 1.00 0.00 H new ATOM 0 HA LYS A 80 14.546 -0.882 -3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.521 1.482 -1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.219 1.067 -1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.015 2.673 -3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.829 1.196 -4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.354 1.417 -4.103 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.536 2.890 -3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.906 2.678 -5.850 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.179 2.975 -5.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.421 5.037 -5.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.579 4.917 -4.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.252 4.630 -4.448 1.00 0.00 H new ATOM 1214 N HIS A 81 15.272 -1.792 -0.915 1.00 0.00 N ATOM 1215 CA HIS A 81 15.581 -2.560 0.286 1.00 0.00 C ATOM 1216 C HIS A 81 15.550 -1.669 1.524 1.00 0.00 C ATOM 1217 O HIS A 81 14.999 -2.047 2.557 1.00 0.00 O ATOM 1218 CB HIS A 81 16.953 -3.223 0.154 1.00 0.00 C ATOM 1219 CG HIS A 81 17.471 -3.789 1.440 1.00 0.00 C ATOM 1220 ND1 HIS A 81 16.957 -4.929 2.022 1.00 0.00 N ATOM 1221 CD2 HIS A 81 18.464 -3.367 2.256 1.00 0.00 C ATOM 1222 CE1 HIS A 81 17.611 -5.182 3.141 1.00 0.00 C ATOM 1223 NE2 HIS A 81 18.531 -4.249 3.306 1.00 0.00 N ATOM 0 H HIS A 81 16.038 -1.730 -1.585 1.00 0.00 H new ATOM 0 HA HIS A 81 14.821 -3.334 0.398 1.00 0.00 H new ATOM 0 HB2 HIS A 81 16.892 -4.021 -0.586 1.00 0.00 H new ATOM 0 HB3 HIS A 81 17.666 -2.491 -0.225 1.00 0.00 H new ATOM 0 HD1 HIS A 81 16.191 -5.489 1.647 1.00 0.00 H new ATOM 0 HD2 HIS A 81 19.088 -2.498 2.109 1.00 0.00 H new ATOM 0 HE1 HIS A 81 17.425 -6.011 3.808 1.00 0.00 H new ATOM 1232 N GLN A 82 16.147 -0.487 1.411 1.00 0.00 N ATOM 1233 CA GLN A 82 16.189 0.456 2.522 1.00 0.00 C ATOM 1234 C GLN A 82 14.850 0.499 3.251 1.00 0.00 C ATOM 1235 O GLN A 82 14.799 0.676 4.468 1.00 0.00 O ATOM 1236 CB GLN A 82 16.554 1.854 2.019 1.00 0.00 C ATOM 1237 CG GLN A 82 15.533 2.440 1.058 1.00 0.00 C ATOM 1238 CD GLN A 82 15.910 3.829 0.582 1.00 0.00 C ATOM 1239 OE1 GLN A 82 16.817 4.459 1.126 1.00 0.00 O ATOM 1240 NE2 GLN A 82 15.214 4.314 -0.440 1.00 0.00 N ATOM 0 H GLN A 82 16.608 -0.160 0.562 1.00 0.00 H new ATOM 0 HA GLN A 82 16.953 0.119 3.223 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.662 2.522 2.874 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.524 1.811 1.524 1.00 0.00 H new ATOM 0 HG2 GLN A 82 15.430 1.780 0.196 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.560 2.479 1.547 1.00 0.00 H new ATOM 0 HE21 GLN A 82 14.470 3.757 -0.861 1.00 0.00 H new ATOM 0 HE22 GLN A 82 15.423 5.244 -0.804 1.00 0.00 H new ATOM 1249 N ASP A 83 13.767 0.335 2.498 1.00 0.00 N ATOM 1250 CA ASP A 83 12.427 0.354 3.072 1.00 0.00 C ATOM 1251 C ASP A 83 11.936 -1.062 3.354 1.00 0.00 C ATOM 1252 O ASP A 83 10.748 -1.356 3.220 1.00 0.00 O ATOM 1253 CB ASP A 83 11.455 1.066 2.130 1.00 0.00 C ATOM 1254 CG ASP A 83 11.749 2.548 2.006 1.00 0.00 C ATOM 1255 OD1 ASP A 83 11.900 3.212 3.052 1.00 0.00 O ATOM 1256 OD2 ASP A 83 11.829 3.044 0.862 1.00 0.00 O ATOM 0 H ASP A 83 13.792 0.187 1.489 1.00 0.00 H new ATOM 0 HA ASP A 83 12.471 0.898 4.015 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.506 0.605 1.144 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.436 0.930 2.493 1.00 0.00 H new ATOM 1261 N SER A 84 12.859 -1.936 3.744 1.00 0.00 N ATOM 1262 CA SER A 84 12.521 -3.324 4.040 1.00 0.00 C ATOM 1263 C SER A 84 11.473 -3.404 5.145 1.00 0.00 C ATOM 1264 O SER A 84 11.371 -2.511 5.985 1.00 0.00 O ATOM 1265 CB SER A 84 13.774 -4.099 4.452 1.00 0.00 C ATOM 1266 OG SER A 84 14.210 -3.714 5.744 1.00 0.00 O ATOM 0 H SER A 84 13.846 -1.708 3.862 1.00 0.00 H new ATOM 0 HA SER A 84 12.106 -3.772 3.137 1.00 0.00 H new ATOM 0 HB2 SER A 84 13.564 -5.169 4.439 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.570 -3.921 3.728 1.00 0.00 H new ATOM 0 HG SER A 84 15.011 -4.225 5.985 1.00 0.00 H new ATOM 1272 N GLY A 85 10.694 -4.482 5.138 1.00 0.00 N ATOM 1273 CA GLY A 85 9.664 -4.660 6.144 1.00 0.00 C ATOM 1274 C GLY A 85 8.703 -3.489 6.203 1.00 0.00 C ATOM 1275 O GLY A 85 8.335 -3.033 7.285 1.00 0.00 O ATOM 0 H GLY A 85 10.758 -5.235 4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.107 -5.573 5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.132 -4.792 7.120 1.00 0.00 H new ATOM 1279 N ALA A 86 8.296 -3.000 5.036 1.00 0.00 N ATOM 1280 CA ALA A 86 7.372 -1.875 4.959 1.00 0.00 C ATOM 1281 C ALA A 86 5.986 -2.269 5.459 1.00 0.00 C ATOM 1282 O ALA A 86 5.398 -3.243 4.986 1.00 0.00 O ATOM 1283 CB ALA A 86 7.293 -1.354 3.532 1.00 0.00 C ATOM 0 H ALA A 86 8.592 -3.365 4.131 1.00 0.00 H new ATOM 0 HA ALA A 86 7.750 -1.081 5.603 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.600 -0.514 3.489 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.281 -1.026 3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.942 -2.148 2.874 1.00 0.00 H new ATOM 1289 N LEU A 87 5.469 -1.508 6.417 1.00 0.00 N ATOM 1290 CA LEU A 87 4.152 -1.778 6.981 1.00 0.00 C ATOM 1291 C LEU A 87 3.049 -1.265 6.060 1.00 0.00 C ATOM 1292 O LEU A 87 2.673 -0.094 6.117 1.00 0.00 O ATOM 1293 CB LEU A 87 4.023 -1.128 8.360 1.00 0.00 C ATOM 1294 CG LEU A 87 3.145 -1.867 9.371 1.00 0.00 C ATOM 1295 CD1 LEU A 87 1.728 -2.017 8.837 1.00 0.00 C ATOM 1296 CD2 LEU A 87 3.740 -3.228 9.700 1.00 0.00 C ATOM 0 H LEU A 87 5.942 -0.699 6.819 1.00 0.00 H new ATOM 0 HA LEU A 87 4.042 -2.858 7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.021 -1.023 8.785 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.624 -0.122 8.230 1.00 0.00 H new ATOM 0 HG LEU A 87 3.106 -1.279 10.288 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.117 -2.545 9.569 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.302 -1.031 8.653 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.748 -2.583 7.906 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.102 -3.739 10.421 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.810 -3.824 8.790 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.735 -3.097 10.125 1.00 0.00 H new ATOM 1308 N VAL A 88 2.533 -2.150 5.213 1.00 0.00 N ATOM 1309 CA VAL A 88 1.471 -1.788 4.282 1.00 0.00 C ATOM 1310 C VAL A 88 0.099 -2.119 4.858 1.00 0.00 C ATOM 1311 O VAL A 88 -0.252 -3.287 5.021 1.00 0.00 O ATOM 1312 CB VAL A 88 1.637 -2.511 2.932 1.00 0.00 C ATOM 1313 CG1 VAL A 88 0.592 -2.031 1.937 1.00 0.00 C ATOM 1314 CG2 VAL A 88 3.042 -2.301 2.386 1.00 0.00 C ATOM 0 H VAL A 88 2.833 -3.123 5.152 1.00 0.00 H new ATOM 0 HA VAL A 88 1.544 -0.712 4.121 1.00 0.00 H new ATOM 0 HB VAL A 88 1.489 -3.579 3.090 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.725 -2.553 0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.404 -2.237 2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.705 -0.958 1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.143 -2.818 1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.221 -1.235 2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.770 -2.699 3.093 1.00 0.00 H new ATOM 1324 N GLY A 89 -0.675 -1.082 5.164 1.00 0.00 N ATOM 1325 CA GLY A 89 -2.001 -1.283 5.719 1.00 0.00 C ATOM 1326 C GLY A 89 -3.008 -0.281 5.191 1.00 0.00 C ATOM 1327 O GLY A 89 -2.647 0.837 4.822 1.00 0.00 O ATOM 0 H GLY A 89 -0.407 -0.106 5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.340 -2.292 5.485 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.952 -1.207 6.805 1.00 0.00 H new ATOM 1331 N PHE A 90 -4.275 -0.680 5.155 1.00 0.00 N ATOM 1332 CA PHE A 90 -5.337 0.190 4.666 1.00 0.00 C ATOM 1333 C PHE A 90 -6.281 0.586 5.798 1.00 0.00 C ATOM 1334 O PHE A 90 -7.058 -0.233 6.288 1.00 0.00 O ATOM 1335 CB PHE A 90 -6.123 -0.504 3.552 1.00 0.00 C ATOM 1336 CG PHE A 90 -7.438 0.154 3.246 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -7.481 1.376 2.594 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -8.631 -0.450 3.609 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -8.690 1.984 2.312 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -9.843 0.153 3.330 1.00 0.00 C ATOM 1341 CZ PHE A 90 -9.872 1.371 2.679 1.00 0.00 C ATOM 0 H PHE A 90 -4.591 -1.601 5.459 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.876 1.094 4.267 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.516 -0.522 2.647 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.302 -1.541 3.836 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.560 1.859 2.303 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.614 -1.403 4.116 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.710 2.937 1.805 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -10.766 -0.327 3.620 1.00 0.00 H new ATOM 0 HZ PHE A 90 -10.818 1.843 2.457 1.00 0.00 H new ATOM 1351 N SER A 91 -6.205 1.847 6.211 1.00 0.00 N ATOM 1352 CA SER A 91 -7.048 2.351 7.288 1.00 0.00 C ATOM 1353 C SER A 91 -8.325 2.973 6.733 1.00 0.00 C ATOM 1354 O SER A 91 -8.284 3.768 5.793 1.00 0.00 O ATOM 1355 CB SER A 91 -6.285 3.383 8.121 1.00 0.00 C ATOM 1356 OG SER A 91 -5.405 4.143 7.310 1.00 0.00 O ATOM 0 H SER A 91 -5.568 2.538 5.816 1.00 0.00 H new ATOM 0 HA SER A 91 -7.322 1.510 7.925 1.00 0.00 H new ATOM 0 HB2 SER A 91 -6.991 4.048 8.618 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.719 2.877 8.903 1.00 0.00 H new ATOM 0 HG SER A 91 -4.660 4.471 7.855 1.00 0.00 H new ATOM 1362 N CYS A 92 -9.458 2.606 7.321 1.00 0.00 N ATOM 1363 CA CYS A 92 -10.750 3.126 6.885 1.00 0.00 C ATOM 1364 C CYS A 92 -11.723 3.214 8.056 1.00 0.00 C ATOM 1365 O CYS A 92 -11.579 2.528 9.068 1.00 0.00 O ATOM 1366 CB CYS A 92 -11.335 2.240 5.785 1.00 0.00 C ATOM 1367 SG CYS A 92 -12.437 0.941 6.391 1.00 0.00 S ATOM 0 H CYS A 92 -9.509 1.950 8.101 1.00 0.00 H new ATOM 0 HA CYS A 92 -10.595 4.129 6.488 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -11.883 2.867 5.081 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -10.517 1.779 5.232 1.00 0.00 H new ATOM 0 HG CYS A 92 -12.883 0.247 5.386 1.00 0.00 H new ATOM 1373 N PRO A 93 -12.738 4.080 7.918 1.00 0.00 N ATOM 1374 CA PRO A 93 -13.755 4.279 8.955 1.00 0.00 C ATOM 1375 C PRO A 93 -14.676 3.073 9.104 1.00 0.00 C ATOM 1376 O PRO A 93 -15.798 3.070 8.600 1.00 0.00 O ATOM 1377 CB PRO A 93 -14.541 5.493 8.452 1.00 0.00 C ATOM 1378 CG PRO A 93 -14.351 5.481 6.974 1.00 0.00 C ATOM 1379 CD PRO A 93 -12.972 4.930 6.739 1.00 0.00 C ATOM 0 HA PRO A 93 -13.310 4.420 9.940 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -15.596 5.419 8.716 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -14.166 6.417 8.892 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.106 4.863 6.488 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.446 6.485 6.560 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -12.921 4.356 5.814 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.230 5.724 6.663 1.00 0.00 H new ATOM 1387 N GLY A 94 -14.193 2.048 9.800 1.00 0.00 N ATOM 1388 CA GLY A 94 -14.986 0.850 10.003 1.00 0.00 C ATOM 1389 C GLY A 94 -14.143 -0.410 10.001 1.00 0.00 C ATOM 1390 O GLY A 94 -14.590 -1.466 10.450 1.00 0.00 O ATOM 0 H GLY A 94 -13.267 2.026 10.227 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.518 0.926 10.951 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.740 0.780 9.219 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.920 -0.301 9.492 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.012 -1.441 9.433 1.00 0.00 C ATOM 1396 C VAL A 95 -10.571 -1.009 9.674 1.00 0.00 C ATOM 1397 O VAL A 95 -10.188 0.116 9.354 1.00 0.00 O ATOM 1398 CB VAL A 95 -12.101 -2.159 8.073 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -11.000 -3.200 7.945 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.472 -2.794 7.894 1.00 0.00 C ATOM 0 H VAL A 95 -12.535 0.565 9.115 1.00 0.00 H new ATOM 0 HA VAL A 95 -12.318 -2.130 10.220 1.00 0.00 H new ATOM 0 HB VAL A 95 -11.963 -1.421 7.283 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -11.079 -3.697 6.978 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -10.028 -2.713 8.024 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -11.102 -3.938 8.741 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.517 -3.297 6.928 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.643 -3.520 8.689 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.239 -2.021 7.937 1.00 0.00 H new ATOM 1410 N GLN A 96 -9.775 -1.911 10.239 1.00 0.00 N ATOM 1411 CA GLN A 96 -8.374 -1.622 10.524 1.00 0.00 C ATOM 1412 C GLN A 96 -7.510 -2.861 10.313 1.00 0.00 C ATOM 1413 O GLN A 96 -7.531 -3.790 11.120 1.00 0.00 O ATOM 1414 CB GLN A 96 -8.217 -1.114 11.958 1.00 0.00 C ATOM 1415 CG GLN A 96 -6.770 -0.913 12.377 1.00 0.00 C ATOM 1416 CD GLN A 96 -6.588 -0.945 13.882 1.00 0.00 C ATOM 1417 OE1 GLN A 96 -6.408 -2.010 14.474 1.00 0.00 O ATOM 1418 NE2 GLN A 96 -6.634 0.224 14.509 1.00 0.00 N ATOM 0 H GLN A 96 -10.076 -2.848 10.508 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.041 -0.847 9.834 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.751 -0.169 12.060 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.689 -1.822 12.639 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.153 -1.689 11.924 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.414 0.042 11.992 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.785 1.082 13.978 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.518 0.265 15.522 1.00 0.00 H new ATOM 1427 N ASP A 97 -6.750 -2.867 9.223 1.00 0.00 N ATOM 1428 CA ASP A 97 -5.877 -3.991 8.906 1.00 0.00 C ATOM 1429 C ASP A 97 -4.534 -3.503 8.372 1.00 0.00 C ATOM 1430 O ASP A 97 -4.420 -2.378 7.885 1.00 0.00 O ATOM 1431 CB ASP A 97 -6.544 -4.909 7.881 1.00 0.00 C ATOM 1432 CG ASP A 97 -6.968 -4.167 6.629 1.00 0.00 C ATOM 1433 OD1 ASP A 97 -7.091 -2.926 6.688 1.00 0.00 O ATOM 1434 OD2 ASP A 97 -7.177 -4.828 5.589 1.00 0.00 O ATOM 0 H ASP A 97 -6.721 -2.106 8.544 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.700 -4.552 9.824 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.854 -5.708 7.610 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -7.416 -5.381 8.333 1.00 0.00 H new ATOM 1439 N SER A 98 -3.519 -4.356 8.469 1.00 0.00 N ATOM 1440 CA SER A 98 -2.182 -4.009 8.000 1.00 0.00 C ATOM 1441 C SER A 98 -1.378 -5.264 7.676 1.00 0.00 C ATOM 1442 O SER A 98 -1.709 -6.360 8.127 1.00 0.00 O ATOM 1443 CB SER A 98 -1.449 -3.177 9.054 1.00 0.00 C ATOM 1444 OG SER A 98 -1.077 -3.975 10.165 1.00 0.00 O ATOM 0 H SER A 98 -3.597 -5.292 8.868 1.00 0.00 H new ATOM 0 HA SER A 98 -2.284 -3.419 7.089 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.560 -2.726 8.612 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.089 -2.360 9.387 1.00 0.00 H new ATOM 0 HG SER A 98 -0.609 -3.421 10.824 1.00 0.00 H new ATOM 1450 N ALA A 99 -0.319 -5.095 6.891 1.00 0.00 N ATOM 1451 CA ALA A 99 0.535 -6.212 6.508 1.00 0.00 C ATOM 1452 C ALA A 99 2.009 -5.850 6.648 1.00 0.00 C ATOM 1453 O ALA A 99 2.349 -4.741 7.060 1.00 0.00 O ATOM 1454 CB ALA A 99 0.229 -6.645 5.081 1.00 0.00 C ATOM 0 H ALA A 99 -0.032 -4.194 6.508 1.00 0.00 H new ATOM 0 HA ALA A 99 0.327 -7.043 7.181 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.874 -7.480 4.808 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.814 -6.954 5.010 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.407 -5.811 4.402 1.00 0.00 H new ATOM 1460 N ALA A 100 2.881 -6.792 6.303 1.00 0.00 N ATOM 1461 CA ALA A 100 4.319 -6.571 6.389 1.00 0.00 C ATOM 1462 C ALA A 100 5.005 -6.902 5.069 1.00 0.00 C ATOM 1463 O ALA A 100 4.914 -8.027 4.574 1.00 0.00 O ATOM 1464 CB ALA A 100 4.914 -7.400 7.518 1.00 0.00 C ATOM 0 H ALA A 100 2.616 -7.716 5.961 1.00 0.00 H new ATOM 0 HA ALA A 100 4.487 -5.515 6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 100 5.989 -7.225 7.571 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.453 -7.112 8.463 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.727 -8.457 7.330 1.00 0.00 H new ATOM 1470 N LEU A 101 5.692 -5.917 4.501 1.00 0.00 N ATOM 1471 CA LEU A 101 6.394 -6.104 3.236 1.00 0.00 C ATOM 1472 C LEU A 101 7.894 -6.269 3.464 1.00 0.00 C ATOM 1473 O LEU A 101 8.603 -5.299 3.735 1.00 0.00 O ATOM 1474 CB LEU A 101 6.137 -4.916 2.307 1.00 0.00 C ATOM 1475 CG LEU A 101 7.090 -4.773 1.120 1.00 0.00 C ATOM 1476 CD1 LEU A 101 6.746 -5.780 0.034 1.00 0.00 C ATOM 1477 CD2 LEU A 101 7.047 -3.355 0.569 1.00 0.00 C ATOM 0 H LEU A 101 5.778 -4.981 4.896 1.00 0.00 H new ATOM 0 HA LEU A 101 6.014 -7.013 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.120 -4.994 1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.185 -4.001 2.898 1.00 0.00 H new ATOM 0 HG LEU A 101 8.103 -4.976 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.435 -5.663 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.830 -6.790 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.726 -5.610 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.731 -3.272 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.034 -3.123 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.344 -2.653 1.348 1.00 0.00 H new ATOM 1489 N THR A 102 8.371 -7.505 3.352 1.00 0.00 N ATOM 1490 CA THR A 102 9.786 -7.797 3.545 1.00 0.00 C ATOM 1491 C THR A 102 10.558 -7.664 2.237 1.00 0.00 C ATOM 1492 O THR A 102 10.097 -8.108 1.185 1.00 0.00 O ATOM 1493 CB THR A 102 9.994 -9.216 4.109 1.00 0.00 C ATOM 1494 OG1 THR A 102 9.361 -9.332 5.387 1.00 0.00 O ATOM 1495 CG2 THR A 102 11.476 -9.533 4.240 1.00 0.00 C ATOM 0 H THR A 102 7.799 -8.319 3.129 1.00 0.00 H new ATOM 0 HA THR A 102 10.165 -7.069 4.263 1.00 0.00 H new ATOM 0 HB THR A 102 9.546 -9.929 3.417 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.496 -10.237 5.738 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.599 -10.539 4.640 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.949 -9.472 3.260 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.943 -8.815 4.914 1.00 0.00 H new ATOM 1503 N ILE A 103 11.735 -7.051 2.311 1.00 0.00 N ATOM 1504 CA ILE A 103 12.572 -6.862 1.132 1.00 0.00 C ATOM 1505 C ILE A 103 14.001 -7.325 1.393 1.00 0.00 C ATOM 1506 O ILE A 103 14.668 -6.830 2.302 1.00 0.00 O ATOM 1507 CB ILE A 103 12.595 -5.387 0.689 1.00 0.00 C ATOM 1508 CG1 ILE A 103 11.170 -4.879 0.461 1.00 0.00 C ATOM 1509 CG2 ILE A 103 13.429 -5.226 -0.573 1.00 0.00 C ATOM 1510 CD1 ILE A 103 11.044 -3.374 0.549 1.00 0.00 C ATOM 0 H ILE A 103 12.130 -6.677 3.174 1.00 0.00 H new ATOM 0 HA ILE A 103 12.137 -7.465 0.335 1.00 0.00 H new ATOM 0 HB ILE A 103 13.051 -4.792 1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.829 -5.207 -0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 103 10.508 -5.335 1.198 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.436 -4.178 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.450 -5.554 -0.379 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.000 -5.830 -1.372 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.007 -3.085 0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.354 -3.040 1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.680 -2.911 -0.206 1.00 0.00 H new ATOM 1522 N GLN A 104 14.466 -8.276 0.589 1.00 0.00 N ATOM 1523 CA GLN A 104 15.817 -8.804 0.733 1.00 0.00 C ATOM 1524 C GLN A 104 16.748 -8.212 -0.320 1.00 0.00 C ATOM 1525 O GLN A 104 16.547 -8.405 -1.519 1.00 0.00 O ATOM 1526 CB GLN A 104 15.805 -10.330 0.619 1.00 0.00 C ATOM 1527 CG GLN A 104 14.898 -11.008 1.633 1.00 0.00 C ATOM 1528 CD GLN A 104 15.371 -12.400 2.001 1.00 0.00 C ATOM 1529 OE1 GLN A 104 16.417 -12.856 1.536 1.00 0.00 O ATOM 1530 NE2 GLN A 104 14.603 -13.085 2.839 1.00 0.00 N ATOM 0 H GLN A 104 13.927 -8.696 -0.168 1.00 0.00 H new ATOM 0 HA GLN A 104 16.187 -8.522 1.719 1.00 0.00 H new ATOM 0 HB2 GLN A 104 15.486 -10.609 -0.385 1.00 0.00 H new ATOM 0 HB3 GLN A 104 16.821 -10.704 0.746 1.00 0.00 H new ATOM 0 HG2 GLN A 104 14.846 -10.396 2.534 1.00 0.00 H new ATOM 0 HG3 GLN A 104 13.888 -11.067 1.228 1.00 0.00 H new ATOM 0 HE21 GLN A 104 13.745 -12.669 3.200 1.00 0.00 H new ATOM 0 HE22 GLN A 104 14.871 -14.028 3.122 1.00 0.00 H new ATOM 1539 N GLU A 105 17.766 -7.489 0.136 1.00 0.00 N ATOM 1540 CA GLU A 105 18.727 -6.868 -0.767 1.00 0.00 C ATOM 1541 C GLU A 105 19.397 -7.914 -1.652 1.00 0.00 C ATOM 1542 O GLU A 105 20.191 -8.727 -1.178 1.00 0.00 O ATOM 1543 CB GLU A 105 19.786 -6.101 0.028 1.00 0.00 C ATOM 1544 CG GLU A 105 20.321 -6.867 1.226 1.00 0.00 C ATOM 1545 CD GLU A 105 21.670 -6.355 1.692 1.00 0.00 C ATOM 1546 OE1 GLU A 105 21.737 -5.199 2.159 1.00 0.00 O ATOM 1547 OE2 GLU A 105 22.658 -7.112 1.589 1.00 0.00 O ATOM 0 H GLU A 105 17.946 -7.319 1.125 1.00 0.00 H new ATOM 0 HA GLU A 105 18.187 -6.169 -1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.616 -5.853 -0.634 1.00 0.00 H new ATOM 0 HB3 GLU A 105 19.359 -5.159 0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 105 19.607 -6.796 2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 105 20.407 -7.923 0.969 1.00 0.00 H new