USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 520 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 16 TYR OH : rot -16:sc= -0.436 USER MOD Set 1.2: A 22 SER OG : rot 157:sc= 2.29 USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0754 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -136:sc= 0 (180deg=-0.266) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.72! C(o=-1.7!,f=-1.4!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.511 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.54 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0164 K(o=-0.016,f=-0.89) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 59 LYS NZ :NH3+ -158:sc= -0.0706 (180deg=-0.373) USER MOD Single : A 64 SER OG : rot -22:sc= 0.0592! USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.994 -28.113 1.415 1.00 0.00 N ATOM 2 CA GLY A 1 -4.059 -26.716 1.024 1.00 0.00 C ATOM 3 C GLY A 1 -5.250 -26.000 1.628 1.00 0.00 C ATOM 4 O GLY A 1 -5.977 -26.567 2.444 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.026 -28.345 1.716 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.652 -28.284 2.202 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.258 -28.712 0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.142 -26.213 1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.111 -26.648 -0.063 1.00 0.00 H new ATOM 8 N SER A 2 -5.451 -24.748 1.228 1.00 0.00 N ATOM 9 CA SER A 2 -6.559 -23.951 1.740 1.00 0.00 C ATOM 10 C SER A 2 -7.281 -23.231 0.604 1.00 0.00 C ATOM 11 O SER A 2 -6.872 -23.311 -0.554 1.00 0.00 O ATOM 12 CB SER A 2 -6.053 -22.932 2.763 1.00 0.00 C ATOM 13 OG SER A 2 -5.414 -21.841 2.124 1.00 0.00 O ATOM 0 H SER A 2 -4.861 -24.264 0.551 1.00 0.00 H new ATOM 0 HA SER A 2 -7.264 -24.625 2.227 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.888 -22.568 3.362 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.356 -23.415 3.448 1.00 0.00 H new ATOM 0 HG SER A 2 -5.101 -21.204 2.800 1.00 0.00 H new ATOM 19 N SER A 3 -8.356 -22.529 0.946 1.00 0.00 N ATOM 20 CA SER A 3 -9.138 -21.798 -0.045 1.00 0.00 C ATOM 21 C SER A 3 -9.466 -20.393 0.451 1.00 0.00 C ATOM 22 O SER A 3 -9.386 -20.110 1.646 1.00 0.00 O ATOM 23 CB SER A 3 -10.429 -22.553 -0.365 1.00 0.00 C ATOM 24 OG SER A 3 -11.203 -22.759 0.805 1.00 0.00 O ATOM 0 H SER A 3 -8.706 -22.451 1.901 1.00 0.00 H new ATOM 0 HA SER A 3 -8.541 -21.714 -0.953 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.011 -21.991 -1.096 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.189 -23.514 -0.820 1.00 0.00 H new ATOM 0 HG SER A 3 -12.024 -23.242 0.573 1.00 0.00 H new ATOM 30 N GLY A 4 -9.836 -19.516 -0.477 1.00 0.00 N ATOM 31 CA GLY A 4 -10.171 -18.151 -0.116 1.00 0.00 C ATOM 32 C GLY A 4 -9.108 -17.159 -0.547 1.00 0.00 C ATOM 33 O GLY A 4 -8.389 -17.393 -1.518 1.00 0.00 O ATOM 0 H GLY A 4 -9.910 -19.726 -1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.123 -17.881 -0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.307 -18.087 0.964 1.00 0.00 H new ATOM 37 N SER A 5 -9.010 -16.048 0.176 1.00 0.00 N ATOM 38 CA SER A 5 -8.031 -15.015 -0.140 1.00 0.00 C ATOM 39 C SER A 5 -7.361 -14.495 1.128 1.00 0.00 C ATOM 40 O SER A 5 -7.934 -14.556 2.216 1.00 0.00 O ATOM 41 CB SER A 5 -8.700 -13.860 -0.888 1.00 0.00 C ATOM 42 OG SER A 5 -9.039 -14.237 -2.211 1.00 0.00 O ATOM 0 H SER A 5 -9.596 -15.840 0.984 1.00 0.00 H new ATOM 0 HA SER A 5 -7.266 -15.457 -0.779 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.598 -13.548 -0.354 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.029 -13.001 -0.912 1.00 0.00 H new ATOM 0 HG SER A 5 -9.466 -13.482 -2.667 1.00 0.00 H new ATOM 48 N SER A 6 -6.143 -13.983 0.979 1.00 0.00 N ATOM 49 CA SER A 6 -5.392 -13.455 2.112 1.00 0.00 C ATOM 50 C SER A 6 -5.167 -11.953 1.962 1.00 0.00 C ATOM 51 O SER A 6 -5.340 -11.393 0.881 1.00 0.00 O ATOM 52 CB SER A 6 -4.048 -14.174 2.239 1.00 0.00 C ATOM 53 OG SER A 6 -4.163 -15.332 3.047 1.00 0.00 O ATOM 0 H SER A 6 -5.656 -13.923 0.085 1.00 0.00 H new ATOM 0 HA SER A 6 -5.975 -13.629 3.016 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.686 -14.452 1.249 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.310 -13.498 2.670 1.00 0.00 H new ATOM 0 HG SER A 6 -3.291 -15.774 3.111 1.00 0.00 H new ATOM 59 N GLY A 7 -4.780 -11.307 3.058 1.00 0.00 N ATOM 60 CA GLY A 7 -4.537 -9.877 3.029 1.00 0.00 C ATOM 61 C GLY A 7 -5.805 -9.078 2.802 1.00 0.00 C ATOM 62 O GLY A 7 -6.847 -9.638 2.459 1.00 0.00 O ATOM 0 H GLY A 7 -4.631 -11.749 3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.081 -9.570 3.970 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.821 -9.649 2.239 1.00 0.00 H new ATOM 66 N ARG A 8 -5.719 -7.766 2.996 1.00 0.00 N ATOM 67 CA ARG A 8 -6.870 -6.889 2.814 1.00 0.00 C ATOM 68 C ARG A 8 -6.687 -6.001 1.586 1.00 0.00 C ATOM 69 O ARG A 8 -5.580 -5.550 1.293 1.00 0.00 O ATOM 70 CB ARG A 8 -7.079 -6.023 4.057 1.00 0.00 C ATOM 71 CG ARG A 8 -6.014 -4.955 4.242 1.00 0.00 C ATOM 72 CD ARG A 8 -6.415 -3.946 5.306 1.00 0.00 C ATOM 73 NE ARG A 8 -6.129 -4.429 6.654 1.00 0.00 N ATOM 74 CZ ARG A 8 -6.948 -5.216 7.342 1.00 0.00 C ATOM 75 NH1 ARG A 8 -8.098 -5.608 6.811 1.00 0.00 N ATOM 76 NH2 ARG A 8 -6.618 -5.614 8.564 1.00 0.00 N ATOM 0 H ARG A 8 -4.864 -7.287 3.279 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.751 -7.513 2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.056 -5.543 3.995 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.095 -6.665 4.938 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.071 -5.425 4.522 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.845 -4.440 3.296 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -5.884 -3.010 5.136 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.479 -3.729 5.217 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.252 -4.146 7.091 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.356 -5.305 5.872 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.725 -6.213 7.342 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.734 -5.315 8.976 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.248 -6.218 9.091 1.00 0.00 H new ATOM 90 N ARG A 9 -7.781 -5.756 0.872 1.00 0.00 N ATOM 91 CA ARG A 9 -7.742 -4.924 -0.324 1.00 0.00 C ATOM 92 C ARG A 9 -7.985 -3.458 0.024 1.00 0.00 C ATOM 93 O ARG A 9 -9.122 -3.045 0.254 1.00 0.00 O ATOM 94 CB ARG A 9 -8.786 -5.398 -1.336 1.00 0.00 C ATOM 95 CG ARG A 9 -8.350 -6.616 -2.135 1.00 0.00 C ATOM 96 CD ARG A 9 -9.513 -7.222 -2.905 1.00 0.00 C ATOM 97 NE ARG A 9 -9.082 -8.308 -3.781 1.00 0.00 N ATOM 98 CZ ARG A 9 -8.839 -9.543 -3.355 1.00 0.00 C ATOM 99 NH1 ARG A 9 -8.983 -9.846 -2.073 1.00 0.00 N ATOM 100 NH2 ARG A 9 -8.450 -10.477 -4.213 1.00 0.00 N ATOM 0 H ARG A 9 -8.705 -6.122 1.101 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.750 -5.015 -0.766 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.711 -5.632 -0.809 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.009 -4.583 -2.024 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.560 -6.333 -2.830 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.929 -7.363 -1.462 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.257 -7.597 -2.202 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.997 -6.447 -3.499 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.961 -8.108 -4.774 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.281 -9.130 -1.410 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.796 -10.795 -1.749 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.337 -10.247 -5.200 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.264 -11.425 -3.885 1.00 0.00 H new ATOM 114 N MET A 10 -6.910 -2.678 0.062 1.00 0.00 N ATOM 115 CA MET A 10 -7.008 -1.258 0.383 1.00 0.00 C ATOM 116 C MET A 10 -7.183 -0.426 -0.884 1.00 0.00 C ATOM 117 O MET A 10 -6.696 -0.794 -1.953 1.00 0.00 O ATOM 118 CB MET A 10 -5.761 -0.798 1.141 1.00 0.00 C ATOM 119 CG MET A 10 -5.310 -1.772 2.217 1.00 0.00 C ATOM 120 SD MET A 10 -4.274 -0.992 3.470 1.00 0.00 S ATOM 121 CE MET A 10 -5.510 -0.149 4.455 1.00 0.00 C ATOM 0 H MET A 10 -5.962 -3.004 -0.125 1.00 0.00 H new ATOM 0 HA MET A 10 -7.883 -1.113 1.016 1.00 0.00 H new ATOM 0 HB2 MET A 10 -4.947 -0.652 0.431 1.00 0.00 H new ATOM 0 HB3 MET A 10 -5.961 0.170 1.600 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.186 -2.209 2.696 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.759 -2.590 1.753 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.166 0.859 4.686 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.445 -0.094 3.897 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.673 -0.698 5.382 1.00 0.00 H new ATOM 131 N VAL A 11 -7.883 0.697 -0.756 1.00 0.00 N ATOM 132 CA VAL A 11 -8.122 1.582 -1.891 1.00 0.00 C ATOM 133 C VAL A 11 -7.315 2.869 -1.763 1.00 0.00 C ATOM 134 O VAL A 11 -7.561 3.682 -0.873 1.00 0.00 O ATOM 135 CB VAL A 11 -9.615 1.935 -2.021 1.00 0.00 C ATOM 136 CG1 VAL A 11 -10.085 2.725 -0.810 1.00 0.00 C ATOM 137 CG2 VAL A 11 -9.868 2.712 -3.305 1.00 0.00 C ATOM 0 H VAL A 11 -8.294 1.015 0.121 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.804 1.045 -2.785 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.187 1.008 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.142 2.965 -0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.940 2.130 0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.510 3.647 -0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.928 2.953 -3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.286 3.633 -3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.571 2.106 -4.161 1.00 0.00 H new ATOM 147 N ALA A 12 -6.351 3.048 -2.660 1.00 0.00 N ATOM 148 CA ALA A 12 -5.509 4.237 -2.650 1.00 0.00 C ATOM 149 C ALA A 12 -6.351 5.505 -2.554 1.00 0.00 C ATOM 150 O ALA A 12 -7.250 5.729 -3.366 1.00 0.00 O ATOM 151 CB ALA A 12 -4.634 4.276 -3.894 1.00 0.00 C ATOM 0 H ALA A 12 -6.134 2.384 -3.403 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.868 4.190 -1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.011 5.170 -3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.998 3.391 -3.920 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.265 4.295 -4.782 1.00 0.00 H new ATOM 157 N LEU A 13 -6.056 6.331 -1.556 1.00 0.00 N ATOM 158 CA LEU A 13 -6.788 7.577 -1.354 1.00 0.00 C ATOM 159 C LEU A 13 -6.211 8.694 -2.219 1.00 0.00 C ATOM 160 O LEU A 13 -6.914 9.638 -2.581 1.00 0.00 O ATOM 161 CB LEU A 13 -6.742 7.984 0.120 1.00 0.00 C ATOM 162 CG LEU A 13 -7.382 7.006 1.106 1.00 0.00 C ATOM 163 CD1 LEU A 13 -7.025 7.380 2.537 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.893 6.975 0.923 1.00 0.00 C ATOM 0 H LEU A 13 -5.316 6.161 -0.875 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.825 7.413 -1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.699 8.126 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.236 8.950 0.225 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.991 6.009 0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.489 6.673 3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.943 7.350 2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.387 8.386 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.331 6.274 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.301 7.971 1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.130 6.659 -0.093 1.00 0.00 H new ATOM 176 N TYR A 14 -4.930 8.578 -2.548 1.00 0.00 N ATOM 177 CA TYR A 14 -4.259 9.577 -3.371 1.00 0.00 C ATOM 178 C TYR A 14 -3.140 8.945 -4.192 1.00 0.00 C ATOM 179 O TYR A 14 -2.872 7.749 -4.079 1.00 0.00 O ATOM 180 CB TYR A 14 -3.694 10.695 -2.493 1.00 0.00 C ATOM 181 CG TYR A 14 -4.687 11.240 -1.492 1.00 0.00 C ATOM 182 CD1 TYR A 14 -4.948 10.566 -0.305 1.00 0.00 C ATOM 183 CD2 TYR A 14 -5.364 12.429 -1.732 1.00 0.00 C ATOM 184 CE1 TYR A 14 -5.855 11.059 0.612 1.00 0.00 C ATOM 185 CE2 TYR A 14 -6.272 12.931 -0.820 1.00 0.00 C ATOM 186 CZ TYR A 14 -6.514 12.242 0.350 1.00 0.00 C ATOM 187 OH TYR A 14 -7.418 12.738 1.262 1.00 0.00 O ATOM 0 H TYR A 14 -4.335 7.802 -2.258 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.994 9.999 -4.057 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.821 10.320 -1.959 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.351 11.509 -3.132 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.432 9.640 -0.096 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.177 12.970 -2.648 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.047 10.522 1.529 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -6.789 13.857 -1.022 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.793 13.579 0.927 1.00 0.00 H new ATOM 197 N ASP A 15 -2.489 9.757 -5.018 1.00 0.00 N ATOM 198 CA ASP A 15 -1.397 9.279 -5.858 1.00 0.00 C ATOM 199 C ASP A 15 -0.078 9.285 -5.090 1.00 0.00 C ATOM 200 O ASP A 15 0.384 10.333 -4.639 1.00 0.00 O ATOM 201 CB ASP A 15 -1.274 10.144 -7.113 1.00 0.00 C ATOM 202 CG ASP A 15 -0.633 11.488 -6.830 1.00 0.00 C ATOM 203 OD1 ASP A 15 0.612 11.576 -6.886 1.00 0.00 O ATOM 204 OD2 ASP A 15 -1.376 12.453 -6.552 1.00 0.00 O ATOM 0 H ASP A 15 -2.699 10.750 -5.124 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.621 8.254 -6.153 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.683 9.613 -7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.264 10.300 -7.541 1.00 0.00 H new ATOM 209 N TYR A 16 0.521 8.109 -4.945 1.00 0.00 N ATOM 210 CA TYR A 16 1.784 7.977 -4.229 1.00 0.00 C ATOM 211 C TYR A 16 2.956 7.896 -5.202 1.00 0.00 C ATOM 212 O TYR A 16 2.804 7.446 -6.338 1.00 0.00 O ATOM 213 CB TYR A 16 1.761 6.736 -3.335 1.00 0.00 C ATOM 214 CG TYR A 16 3.093 6.432 -2.688 1.00 0.00 C ATOM 215 CD1 TYR A 16 3.595 7.238 -1.673 1.00 0.00 C ATOM 216 CD2 TYR A 16 3.851 5.339 -3.091 1.00 0.00 C ATOM 217 CE1 TYR A 16 4.812 6.964 -1.079 1.00 0.00 C ATOM 218 CE2 TYR A 16 5.068 5.057 -2.502 1.00 0.00 C ATOM 219 CZ TYR A 16 5.544 5.872 -1.496 1.00 0.00 C ATOM 220 OH TYR A 16 6.757 5.596 -0.908 1.00 0.00 O ATOM 0 H TYR A 16 0.152 7.233 -5.314 1.00 0.00 H new ATOM 0 HA TYR A 16 1.913 8.862 -3.606 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.011 6.873 -2.556 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.450 5.876 -3.929 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.024 8.093 -1.343 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.482 4.699 -3.879 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.188 7.601 -0.292 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.644 4.203 -2.827 1.00 0.00 H new ATOM 0 HH TYR A 16 7.068 6.384 -0.415 1.00 0.00 H new ATOM 230 N ASP A 17 4.125 8.334 -4.748 1.00 0.00 N ATOM 231 CA ASP A 17 5.325 8.310 -5.576 1.00 0.00 C ATOM 232 C ASP A 17 6.581 8.247 -4.712 1.00 0.00 C ATOM 233 O ASP A 17 6.986 9.229 -4.091 1.00 0.00 O ATOM 234 CB ASP A 17 5.373 9.544 -6.478 1.00 0.00 C ATOM 235 CG ASP A 17 4.683 9.316 -7.809 1.00 0.00 C ATOM 236 OD1 ASP A 17 5.328 8.763 -8.725 1.00 0.00 O ATOM 237 OD2 ASP A 17 3.498 9.690 -7.934 1.00 0.00 O ATOM 0 H ASP A 17 4.267 8.710 -3.811 1.00 0.00 H new ATOM 0 HA ASP A 17 5.289 7.416 -6.198 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.901 10.383 -5.966 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.412 9.822 -6.654 1.00 0.00 H new ATOM 242 N PRO A 18 7.212 7.064 -4.670 1.00 0.00 N ATOM 243 CA PRO A 18 8.430 6.844 -3.885 1.00 0.00 C ATOM 244 C PRO A 18 9.634 7.576 -4.467 1.00 0.00 C ATOM 245 O PRO A 18 10.750 7.454 -3.961 1.00 0.00 O ATOM 246 CB PRO A 18 8.635 5.329 -3.966 1.00 0.00 C ATOM 247 CG PRO A 18 7.956 4.921 -5.228 1.00 0.00 C ATOM 248 CD PRO A 18 6.784 5.850 -5.386 1.00 0.00 C ATOM 0 HA PRO A 18 8.333 7.221 -2.867 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.694 5.074 -3.986 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.202 4.824 -3.102 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.633 4.999 -6.078 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.627 3.883 -5.176 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.573 6.056 -6.435 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.876 5.428 -4.955 1.00 0.00 H new ATOM 256 N ARG A 19 9.401 8.337 -5.531 1.00 0.00 N ATOM 257 CA ARG A 19 10.468 9.089 -6.182 1.00 0.00 C ATOM 258 C ARG A 19 10.495 10.532 -5.687 1.00 0.00 C ATOM 259 O ARG A 19 11.525 11.202 -5.757 1.00 0.00 O ATOM 260 CB ARG A 19 10.286 9.062 -7.700 1.00 0.00 C ATOM 261 CG ARG A 19 10.732 7.759 -8.344 1.00 0.00 C ATOM 262 CD ARG A 19 10.577 7.803 -9.856 1.00 0.00 C ATOM 263 NE ARG A 19 9.192 7.596 -10.271 1.00 0.00 N ATOM 264 CZ ARG A 19 8.760 7.794 -11.512 1.00 0.00 C ATOM 265 NH1 ARG A 19 9.600 8.201 -12.453 1.00 0.00 N ATOM 266 NH2 ARG A 19 7.485 7.584 -11.812 1.00 0.00 N ATOM 0 H ARG A 19 8.483 8.449 -5.961 1.00 0.00 H new ATOM 0 HA ARG A 19 11.418 8.618 -5.929 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.235 9.232 -7.935 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.848 9.886 -8.140 1.00 0.00 H new ATOM 0 HG2 ARG A 19 11.774 7.564 -8.090 1.00 0.00 H new ATOM 0 HG3 ARG A 19 10.146 6.933 -7.941 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.927 8.766 -10.228 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.209 7.038 -10.307 1.00 0.00 H new ATOM 0 HE ARG A 19 8.520 7.283 -9.570 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.581 8.363 -12.226 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.265 8.352 -13.405 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.836 7.271 -11.090 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.153 7.736 -12.765 1.00 0.00 H new ATOM 280 N GLU A 20 9.356 11.003 -5.189 1.00 0.00 N ATOM 281 CA GLU A 20 9.251 12.367 -4.685 1.00 0.00 C ATOM 282 C GLU A 20 8.804 12.375 -3.226 1.00 0.00 C ATOM 283 O GLU A 20 9.293 13.167 -2.420 1.00 0.00 O ATOM 284 CB GLU A 20 8.267 13.174 -5.535 1.00 0.00 C ATOM 285 CG GLU A 20 6.849 12.632 -5.504 1.00 0.00 C ATOM 286 CD GLU A 20 5.940 13.318 -6.505 1.00 0.00 C ATOM 287 OE1 GLU A 20 6.034 12.996 -7.709 1.00 0.00 O ATOM 288 OE2 GLU A 20 5.135 14.176 -6.087 1.00 0.00 O ATOM 0 H GLU A 20 8.494 10.461 -5.124 1.00 0.00 H new ATOM 0 HA GLU A 20 10.237 12.827 -4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.260 14.206 -5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.619 13.189 -6.567 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.869 11.562 -5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.439 12.756 -4.502 1.00 0.00 H new ATOM 295 N SER A 21 7.871 11.488 -2.894 1.00 0.00 N ATOM 296 CA SER A 21 7.355 11.395 -1.533 1.00 0.00 C ATOM 297 C SER A 21 8.388 10.768 -0.602 1.00 0.00 C ATOM 298 O SER A 21 8.692 11.311 0.460 1.00 0.00 O ATOM 299 CB SER A 21 6.065 10.573 -1.510 1.00 0.00 C ATOM 300 OG SER A 21 5.406 10.692 -0.261 1.00 0.00 O ATOM 0 H SER A 21 7.457 10.824 -3.548 1.00 0.00 H new ATOM 0 HA SER A 21 7.141 12.404 -1.182 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.402 10.908 -2.308 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.294 9.525 -1.705 1.00 0.00 H new ATOM 0 HG SER A 21 4.584 10.159 -0.273 1.00 0.00 H new ATOM 306 N SER A 22 8.924 9.622 -1.008 1.00 0.00 N ATOM 307 CA SER A 22 9.920 8.918 -0.209 1.00 0.00 C ATOM 308 C SER A 22 11.301 9.541 -0.391 1.00 0.00 C ATOM 309 O SER A 22 11.642 10.058 -1.455 1.00 0.00 O ATOM 310 CB SER A 22 9.961 7.438 -0.595 1.00 0.00 C ATOM 311 OG SER A 22 8.887 6.727 -0.003 1.00 0.00 O ATOM 0 H SER A 22 8.685 9.161 -1.886 1.00 0.00 H new ATOM 0 HA SER A 22 9.636 9.005 0.840 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.912 7.340 -1.680 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.908 7.002 -0.278 1.00 0.00 H new ATOM 0 HG SER A 22 8.708 5.914 -0.520 1.00 0.00 H new ATOM 317 N PRO A 23 12.115 9.491 0.674 1.00 0.00 N ATOM 318 CA PRO A 23 13.473 10.045 0.658 1.00 0.00 C ATOM 319 C PRO A 23 14.418 9.239 -0.226 1.00 0.00 C ATOM 320 O PRO A 23 15.631 9.440 -0.199 1.00 0.00 O ATOM 321 CB PRO A 23 13.908 9.960 2.123 1.00 0.00 C ATOM 322 CG PRO A 23 13.093 8.852 2.696 1.00 0.00 C ATOM 323 CD PRO A 23 11.775 8.891 1.974 1.00 0.00 C ATOM 0 HA PRO A 23 13.496 11.056 0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 23 14.975 9.752 2.208 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.724 10.898 2.646 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.587 7.891 2.555 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.954 8.984 3.769 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.351 7.894 1.857 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.040 9.489 2.512 1.00 0.00 H new ATOM 331 N ASN A 24 13.853 8.325 -1.010 1.00 0.00 N ATOM 332 CA ASN A 24 14.646 7.488 -1.902 1.00 0.00 C ATOM 333 C ASN A 24 15.382 6.404 -1.120 1.00 0.00 C ATOM 334 O ASN A 24 16.582 6.199 -1.302 1.00 0.00 O ATOM 335 CB ASN A 24 15.649 8.343 -2.679 1.00 0.00 C ATOM 336 CG ASN A 24 15.097 9.712 -3.025 1.00 0.00 C ATOM 337 OD1 ASN A 24 14.045 9.829 -3.653 1.00 0.00 O ATOM 338 ND2 ASN A 24 15.807 10.757 -2.614 1.00 0.00 N ATOM 0 H ASN A 24 12.849 8.146 -1.045 1.00 0.00 H new ATOM 0 HA ASN A 24 13.968 7.006 -2.606 1.00 0.00 H new ATOM 0 HB2 ASN A 24 16.557 8.460 -2.088 1.00 0.00 H new ATOM 0 HB3 ASN A 24 15.930 7.825 -3.596 1.00 0.00 H new ATOM 0 HD21 ASN A 24 15.485 11.704 -2.816 1.00 0.00 H new ATOM 0 HD22 ASN A 24 16.674 10.613 -2.096 1.00 0.00 H new ATOM 345 N VAL A 25 14.654 5.713 -0.249 1.00 0.00 N ATOM 346 CA VAL A 25 15.237 4.649 0.560 1.00 0.00 C ATOM 347 C VAL A 25 14.810 3.276 0.052 1.00 0.00 C ATOM 348 O VAL A 25 13.792 2.733 0.481 1.00 0.00 O ATOM 349 CB VAL A 25 14.834 4.784 2.040 1.00 0.00 C ATOM 350 CG1 VAL A 25 15.563 5.952 2.688 1.00 0.00 C ATOM 351 CG2 VAL A 25 13.327 4.949 2.169 1.00 0.00 C ATOM 0 H VAL A 25 13.660 5.871 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 25 16.320 4.744 0.476 1.00 0.00 H new ATOM 0 HB VAL A 25 15.123 3.872 2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.265 6.032 3.734 1.00 0.00 H new ATOM 0 HG12 VAL A 25 16.639 5.788 2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 25 15.308 6.875 2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.060 5.043 3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.012 5.844 1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.828 4.078 1.745 1.00 0.00 H new ATOM 361 N ASP A 26 15.595 2.720 -0.864 1.00 0.00 N ATOM 362 CA ASP A 26 15.300 1.409 -1.430 1.00 0.00 C ATOM 363 C ASP A 26 13.981 1.433 -2.196 1.00 0.00 C ATOM 364 O ASP A 26 13.286 0.421 -2.286 1.00 0.00 O ATOM 365 CB ASP A 26 15.244 0.354 -0.325 1.00 0.00 C ATOM 366 CG ASP A 26 16.617 -0.171 0.045 1.00 0.00 C ATOM 367 OD1 ASP A 26 17.319 0.502 0.830 1.00 0.00 O ATOM 368 OD2 ASP A 26 16.991 -1.255 -0.449 1.00 0.00 O ATOM 0 H ASP A 26 16.441 3.157 -1.231 1.00 0.00 H new ATOM 0 HA ASP A 26 16.099 1.152 -2.126 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.772 0.783 0.559 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.617 -0.476 -0.651 1.00 0.00 H new ATOM 373 N VAL A 27 13.642 2.594 -2.746 1.00 0.00 N ATOM 374 CA VAL A 27 12.407 2.750 -3.504 1.00 0.00 C ATOM 375 C VAL A 27 12.242 1.627 -4.522 1.00 0.00 C ATOM 376 O VAL A 27 11.127 1.313 -4.938 1.00 0.00 O ATOM 377 CB VAL A 27 12.365 4.104 -4.238 1.00 0.00 C ATOM 378 CG1 VAL A 27 12.416 5.252 -3.242 1.00 0.00 C ATOM 379 CG2 VAL A 27 13.507 4.203 -5.238 1.00 0.00 C ATOM 0 H VAL A 27 14.206 3.441 -2.681 1.00 0.00 H new ATOM 0 HA VAL A 27 11.588 2.709 -2.786 1.00 0.00 H new ATOM 0 HB VAL A 27 11.426 4.172 -4.787 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.385 6.201 -3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.561 5.188 -2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.338 5.192 -2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.462 5.166 -5.747 1.00 0.00 H new ATOM 0 HG22 VAL A 27 14.458 4.114 -4.714 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.420 3.400 -5.970 1.00 0.00 H new ATOM 389 N GLU A 28 13.359 1.026 -4.919 1.00 0.00 N ATOM 390 CA GLU A 28 13.338 -0.062 -5.889 1.00 0.00 C ATOM 391 C GLU A 28 12.405 -1.180 -5.432 1.00 0.00 C ATOM 392 O GLU A 28 12.029 -2.049 -6.218 1.00 0.00 O ATOM 393 CB GLU A 28 14.749 -0.615 -6.100 1.00 0.00 C ATOM 394 CG GLU A 28 15.662 0.325 -6.869 1.00 0.00 C ATOM 395 CD GLU A 28 17.110 -0.124 -6.851 1.00 0.00 C ATOM 396 OE1 GLU A 28 17.745 -0.040 -5.779 1.00 0.00 O ATOM 397 OE2 GLU A 28 17.609 -0.560 -7.910 1.00 0.00 O ATOM 0 H GLU A 28 14.290 1.274 -4.584 1.00 0.00 H new ATOM 0 HA GLU A 28 12.966 0.335 -6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.196 -0.828 -5.129 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.683 -1.562 -6.635 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.320 0.394 -7.902 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.590 1.325 -6.442 1.00 0.00 H new ATOM 404 N ALA A 29 12.037 -1.151 -4.155 1.00 0.00 N ATOM 405 CA ALA A 29 11.148 -2.160 -3.593 1.00 0.00 C ATOM 406 C ALA A 29 9.748 -1.596 -3.373 1.00 0.00 C ATOM 407 O ALA A 29 8.757 -2.319 -3.469 1.00 0.00 O ATOM 408 CB ALA A 29 11.715 -2.694 -2.286 1.00 0.00 C ATOM 0 H ALA A 29 12.341 -0.439 -3.490 1.00 0.00 H new ATOM 0 HA ALA A 29 11.073 -2.981 -4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.041 -3.447 -1.877 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.691 -3.143 -2.469 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.820 -1.876 -1.574 1.00 0.00 H new ATOM 414 N GLU A 30 9.675 -0.302 -3.078 1.00 0.00 N ATOM 415 CA GLU A 30 8.395 0.356 -2.843 1.00 0.00 C ATOM 416 C GLU A 30 7.505 0.271 -4.080 1.00 0.00 C ATOM 417 O GLU A 30 7.993 0.129 -5.202 1.00 0.00 O ATOM 418 CB GLU A 30 8.613 1.821 -2.458 1.00 0.00 C ATOM 419 CG GLU A 30 8.879 2.027 -0.976 1.00 0.00 C ATOM 420 CD GLU A 30 8.453 3.400 -0.493 1.00 0.00 C ATOM 421 OE1 GLU A 30 8.998 4.402 -1.001 1.00 0.00 O ATOM 422 OE2 GLU A 30 7.576 3.472 0.393 1.00 0.00 O ATOM 0 H GLU A 30 10.486 0.311 -2.996 1.00 0.00 H new ATOM 0 HA GLU A 30 7.896 -0.158 -2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.454 2.217 -3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.734 2.398 -2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.348 1.264 -0.406 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.942 1.890 -0.779 1.00 0.00 H new ATOM 429 N LEU A 31 6.197 0.359 -3.866 1.00 0.00 N ATOM 430 CA LEU A 31 5.236 0.291 -4.962 1.00 0.00 C ATOM 431 C LEU A 31 4.742 1.684 -5.339 1.00 0.00 C ATOM 432 O LEU A 31 4.540 2.539 -4.476 1.00 0.00 O ATOM 433 CB LEU A 31 4.051 -0.595 -4.574 1.00 0.00 C ATOM 434 CG LEU A 31 4.276 -2.103 -4.688 1.00 0.00 C ATOM 435 CD1 LEU A 31 3.142 -2.864 -4.018 1.00 0.00 C ATOM 436 CD2 LEU A 31 4.407 -2.514 -6.147 1.00 0.00 C ATOM 0 H LEU A 31 5.777 0.478 -2.944 1.00 0.00 H new ATOM 0 HA LEU A 31 5.738 -0.143 -5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.773 -0.366 -3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.201 -0.326 -5.201 1.00 0.00 H new ATOM 0 HG LEU A 31 5.206 -2.352 -4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.319 -3.936 -4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.095 -2.592 -2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.198 -2.610 -4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.567 -3.590 -6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.495 -2.251 -6.682 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.254 -1.995 -6.597 1.00 0.00 H new ATOM 448 N THR A 32 4.547 1.907 -6.636 1.00 0.00 N ATOM 449 CA THR A 32 4.075 3.195 -7.128 1.00 0.00 C ATOM 450 C THR A 32 2.667 3.082 -7.701 1.00 0.00 C ATOM 451 O THR A 32 2.485 2.693 -8.854 1.00 0.00 O ATOM 452 CB THR A 32 5.014 3.761 -8.210 1.00 0.00 C ATOM 453 OG1 THR A 32 6.366 3.750 -7.739 1.00 0.00 O ATOM 454 CG2 THR A 32 4.613 5.179 -8.586 1.00 0.00 C ATOM 0 H THR A 32 4.709 1.211 -7.364 1.00 0.00 H new ATOM 0 HA THR A 32 4.064 3.874 -6.276 1.00 0.00 H new ATOM 0 HB THR A 32 4.934 3.131 -9.096 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.957 4.110 -8.433 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.290 5.558 -9.351 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.593 5.179 -8.971 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.668 5.818 -7.705 1.00 0.00 H new ATOM 462 N PHE A 33 1.673 3.426 -6.888 1.00 0.00 N ATOM 463 CA PHE A 33 0.280 3.364 -7.315 1.00 0.00 C ATOM 464 C PHE A 33 -0.310 4.764 -7.450 1.00 0.00 C ATOM 465 O PHE A 33 0.374 5.763 -7.226 1.00 0.00 O ATOM 466 CB PHE A 33 -0.544 2.544 -6.319 1.00 0.00 C ATOM 467 CG PHE A 33 -0.254 2.878 -4.884 1.00 0.00 C ATOM 468 CD1 PHE A 33 0.885 2.392 -4.262 1.00 0.00 C ATOM 469 CD2 PHE A 33 -1.121 3.677 -4.156 1.00 0.00 C ATOM 470 CE1 PHE A 33 1.154 2.697 -2.941 1.00 0.00 C ATOM 471 CE2 PHE A 33 -0.857 3.986 -2.835 1.00 0.00 C ATOM 472 CZ PHE A 33 0.282 3.494 -2.226 1.00 0.00 C ATOM 0 H PHE A 33 1.807 3.750 -5.930 1.00 0.00 H new ATOM 0 HA PHE A 33 0.246 2.879 -8.291 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.604 2.707 -6.515 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.349 1.484 -6.484 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.570 1.768 -4.816 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.013 4.063 -4.626 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.046 2.312 -2.468 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.540 4.611 -2.279 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.490 3.732 -1.193 1.00 0.00 H new ATOM 482 N CYS A 34 -1.585 4.828 -7.819 1.00 0.00 N ATOM 483 CA CYS A 34 -2.269 6.106 -7.986 1.00 0.00 C ATOM 484 C CYS A 34 -3.574 6.131 -7.198 1.00 0.00 C ATOM 485 O CYS A 34 -3.951 5.142 -6.567 1.00 0.00 O ATOM 486 CB CYS A 34 -2.548 6.369 -9.467 1.00 0.00 C ATOM 487 SG CYS A 34 -1.202 7.211 -10.333 1.00 0.00 S ATOM 0 H CYS A 34 -2.165 4.011 -8.008 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.618 6.891 -7.601 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.746 5.419 -9.963 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.454 6.969 -9.554 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.530 7.387 -11.579 1.00 0.00 H new ATOM 493 N THR A 35 -4.262 7.268 -7.237 1.00 0.00 N ATOM 494 CA THR A 35 -5.524 7.424 -6.525 1.00 0.00 C ATOM 495 C THR A 35 -6.546 6.392 -6.987 1.00 0.00 C ATOM 496 O THR A 35 -6.903 6.341 -8.163 1.00 0.00 O ATOM 497 CB THR A 35 -6.109 8.835 -6.721 1.00 0.00 C ATOM 498 OG1 THR A 35 -5.130 9.823 -6.382 1.00 0.00 O ATOM 499 CG2 THR A 35 -7.351 9.029 -5.864 1.00 0.00 C ATOM 0 H THR A 35 -3.966 8.095 -7.755 1.00 0.00 H new ATOM 0 HA THR A 35 -5.312 7.272 -5.467 1.00 0.00 H new ATOM 0 HB THR A 35 -6.388 8.946 -7.769 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.509 10.717 -6.511 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.747 10.033 -6.019 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.105 8.294 -6.145 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.092 8.899 -4.813 1.00 0.00 H new ATOM 507 N GLY A 36 -7.016 5.571 -6.053 1.00 0.00 N ATOM 508 CA GLY A 36 -7.994 4.552 -6.384 1.00 0.00 C ATOM 509 C GLY A 36 -7.382 3.169 -6.479 1.00 0.00 C ATOM 510 O GLY A 36 -7.927 2.203 -5.945 1.00 0.00 O ATOM 0 H GLY A 36 -6.736 5.594 -5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.779 4.547 -5.628 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.467 4.802 -7.333 1.00 0.00 H new ATOM 514 N ASP A 37 -6.246 3.072 -7.160 1.00 0.00 N ATOM 515 CA ASP A 37 -5.558 1.796 -7.324 1.00 0.00 C ATOM 516 C ASP A 37 -5.702 0.937 -6.072 1.00 0.00 C ATOM 517 O ASP A 37 -5.327 1.353 -4.975 1.00 0.00 O ATOM 518 CB ASP A 37 -4.078 2.026 -7.632 1.00 0.00 C ATOM 519 CG ASP A 37 -3.856 2.592 -9.021 1.00 0.00 C ATOM 520 OD1 ASP A 37 -4.407 3.673 -9.317 1.00 0.00 O ATOM 521 OD2 ASP A 37 -3.131 1.953 -9.812 1.00 0.00 O ATOM 0 H ASP A 37 -5.781 3.862 -7.608 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.017 1.268 -8.160 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.658 2.709 -6.893 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.539 1.083 -7.537 1.00 0.00 H new ATOM 526 N ILE A 38 -6.249 -0.262 -6.243 1.00 0.00 N ATOM 527 CA ILE A 38 -6.443 -1.179 -5.127 1.00 0.00 C ATOM 528 C ILE A 38 -5.195 -2.020 -4.884 1.00 0.00 C ATOM 529 O ILE A 38 -4.604 -2.558 -5.821 1.00 0.00 O ATOM 530 CB ILE A 38 -7.641 -2.116 -5.370 1.00 0.00 C ATOM 531 CG1 ILE A 38 -8.904 -1.302 -5.658 1.00 0.00 C ATOM 532 CG2 ILE A 38 -7.853 -3.027 -4.170 1.00 0.00 C ATOM 533 CD1 ILE A 38 -9.315 -0.401 -4.515 1.00 0.00 C ATOM 0 H ILE A 38 -6.566 -0.621 -7.144 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.643 -0.568 -4.247 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.426 -2.737 -6.240 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.740 -0.695 -6.548 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.723 -1.985 -5.884 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.703 -3.683 -4.357 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.959 -3.629 -4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.049 -2.423 -3.284 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.217 0.146 -4.789 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.511 -1.004 -3.629 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.513 0.306 -4.303 1.00 0.00 H new ATOM 545 N ILE A 39 -4.800 -2.132 -3.620 1.00 0.00 N ATOM 546 CA ILE A 39 -3.624 -2.910 -3.253 1.00 0.00 C ATOM 547 C ILE A 39 -3.937 -3.878 -2.117 1.00 0.00 C ATOM 548 O ILE A 39 -4.632 -3.528 -1.162 1.00 0.00 O ATOM 549 CB ILE A 39 -2.456 -2.000 -2.830 1.00 0.00 C ATOM 550 CG1 ILE A 39 -2.003 -1.134 -4.007 1.00 0.00 C ATOM 551 CG2 ILE A 39 -1.298 -2.835 -2.303 1.00 0.00 C ATOM 552 CD1 ILE A 39 -1.374 0.176 -3.587 1.00 0.00 C ATOM 0 H ILE A 39 -5.278 -1.693 -2.833 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.331 -3.475 -4.138 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.798 -1.343 -2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.287 -1.696 -4.606 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.861 -0.927 -4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.480 -2.178 -2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.629 -3.412 -1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.954 -3.514 -3.083 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.077 0.738 -4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.095 0.758 -3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.496 -0.023 -2.972 1.00 0.00 H new ATOM 564 N THR A 40 -3.419 -5.098 -2.226 1.00 0.00 N ATOM 565 CA THR A 40 -3.642 -6.116 -1.208 1.00 0.00 C ATOM 566 C THR A 40 -2.474 -6.184 -0.231 1.00 0.00 C ATOM 567 O THR A 40 -1.448 -6.801 -0.517 1.00 0.00 O ATOM 568 CB THR A 40 -3.849 -7.506 -1.840 1.00 0.00 C ATOM 569 OG1 THR A 40 -4.990 -7.486 -2.705 1.00 0.00 O ATOM 570 CG2 THR A 40 -4.040 -8.566 -0.765 1.00 0.00 C ATOM 0 H THR A 40 -2.842 -5.404 -3.010 1.00 0.00 H new ATOM 0 HA THR A 40 -4.546 -5.831 -0.669 1.00 0.00 H new ATOM 0 HB THR A 40 -2.959 -7.754 -2.419 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.114 -8.373 -3.104 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.184 -9.539 -1.235 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.158 -8.599 -0.126 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.915 -8.320 -0.163 1.00 0.00 H new ATOM 578 N VAL A 41 -2.636 -5.545 0.923 1.00 0.00 N ATOM 579 CA VAL A 41 -1.594 -5.534 1.943 1.00 0.00 C ATOM 580 C VAL A 41 -1.611 -6.821 2.760 1.00 0.00 C ATOM 581 O VAL A 41 -2.650 -7.466 2.901 1.00 0.00 O ATOM 582 CB VAL A 41 -1.753 -4.333 2.895 1.00 0.00 C ATOM 583 CG1 VAL A 41 -1.627 -3.025 2.130 1.00 0.00 C ATOM 584 CG2 VAL A 41 -3.086 -4.406 3.626 1.00 0.00 C ATOM 0 H VAL A 41 -3.479 -5.028 1.175 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.641 -5.451 1.421 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.955 -4.371 3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.742 -2.188 2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.646 -2.973 1.657 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.402 -2.975 1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.182 -3.550 4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.900 -4.393 2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.132 -5.327 4.207 1.00 0.00 H new ATOM 594 N PHE A 42 -0.453 -7.190 3.297 1.00 0.00 N ATOM 595 CA PHE A 42 -0.334 -8.401 4.100 1.00 0.00 C ATOM 596 C PHE A 42 0.478 -8.138 5.365 1.00 0.00 C ATOM 597 O PHE A 42 1.629 -7.708 5.299 1.00 0.00 O ATOM 598 CB PHE A 42 0.322 -9.517 3.283 1.00 0.00 C ATOM 599 CG PHE A 42 -0.323 -9.739 1.945 1.00 0.00 C ATOM 600 CD1 PHE A 42 -1.529 -10.415 1.846 1.00 0.00 C ATOM 601 CD2 PHE A 42 0.276 -9.272 0.786 1.00 0.00 C ATOM 602 CE1 PHE A 42 -2.124 -10.621 0.616 1.00 0.00 C ATOM 603 CE2 PHE A 42 -0.315 -9.475 -0.447 1.00 0.00 C ATOM 604 CZ PHE A 42 -1.517 -10.149 -0.532 1.00 0.00 C ATOM 0 H PHE A 42 0.417 -6.668 3.191 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.337 -8.713 4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.375 -9.277 3.134 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.284 -10.445 3.854 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.009 -10.785 2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.216 -8.743 0.847 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.063 -11.151 0.552 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.163 -9.107 -1.343 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.982 -10.307 -1.494 1.00 0.00 H new ATOM 614 N GLY A 43 -0.133 -8.398 6.517 1.00 0.00 N ATOM 615 CA GLY A 43 0.546 -8.182 7.782 1.00 0.00 C ATOM 616 C GLY A 43 0.272 -6.808 8.360 1.00 0.00 C ATOM 617 O GLY A 43 -0.454 -6.012 7.766 1.00 0.00 O ATOM 0 H GLY A 43 -1.085 -8.754 6.597 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.229 -8.943 8.495 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.620 -8.306 7.640 1.00 0.00 H new ATOM 621 N GLU A 44 0.852 -6.531 9.523 1.00 0.00 N ATOM 622 CA GLU A 44 0.664 -5.244 10.183 1.00 0.00 C ATOM 623 C GLU A 44 1.750 -4.256 9.768 1.00 0.00 C ATOM 624 O GLU A 44 2.785 -4.646 9.226 1.00 0.00 O ATOM 625 CB GLU A 44 0.672 -5.419 11.703 1.00 0.00 C ATOM 626 CG GLU A 44 1.981 -5.967 12.246 1.00 0.00 C ATOM 627 CD GLU A 44 1.888 -6.355 13.709 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.524 -5.489 14.531 1.00 0.00 O ATOM 629 OE2 GLU A 44 2.181 -7.526 14.031 1.00 0.00 O ATOM 0 H GLU A 44 1.456 -7.180 10.028 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.303 -4.845 9.876 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.468 -4.456 12.172 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.139 -6.090 11.987 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.277 -6.838 11.661 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.764 -5.219 12.121 1.00 0.00 H new ATOM 636 N ILE A 45 1.507 -2.976 10.026 1.00 0.00 N ATOM 637 CA ILE A 45 2.463 -1.932 9.680 1.00 0.00 C ATOM 638 C ILE A 45 3.861 -2.280 10.180 1.00 0.00 C ATOM 639 O ILE A 45 4.057 -2.557 11.363 1.00 0.00 O ATOM 640 CB ILE A 45 2.046 -0.569 10.264 1.00 0.00 C ATOM 641 CG1 ILE A 45 0.720 -0.112 9.652 1.00 0.00 C ATOM 642 CG2 ILE A 45 3.133 0.467 10.020 1.00 0.00 C ATOM 643 CD1 ILE A 45 0.237 1.219 10.183 1.00 0.00 C ATOM 0 H ILE A 45 0.656 -2.637 10.474 1.00 0.00 H new ATOM 0 HA ILE A 45 2.475 -1.863 8.592 1.00 0.00 H new ATOM 0 HB ILE A 45 1.910 -0.678 11.340 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.833 -0.043 8.570 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.040 -0.869 9.845 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.823 1.425 10.438 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.058 0.144 10.498 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.298 0.576 8.948 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.707 1.480 9.705 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.092 1.150 11.261 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.978 1.988 9.966 1.00 0.00 H new ATOM 655 N ASP A 46 4.830 -2.261 9.271 1.00 0.00 N ATOM 656 CA ASP A 46 6.212 -2.572 9.620 1.00 0.00 C ATOM 657 C ASP A 46 6.699 -1.680 10.758 1.00 0.00 C ATOM 658 O ASP A 46 5.960 -0.827 11.249 1.00 0.00 O ATOM 659 CB ASP A 46 7.118 -2.404 8.400 1.00 0.00 C ATOM 660 CG ASP A 46 6.860 -3.455 7.338 1.00 0.00 C ATOM 661 OD1 ASP A 46 5.676 -3.753 7.073 1.00 0.00 O ATOM 662 OD2 ASP A 46 7.842 -3.979 6.771 1.00 0.00 O ATOM 0 H ASP A 46 4.684 -2.034 8.287 1.00 0.00 H new ATOM 0 HA ASP A 46 6.253 -3.609 9.953 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.965 -1.413 7.971 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.160 -2.458 8.715 1.00 0.00 H new ATOM 667 N GLU A 47 7.946 -1.884 11.171 1.00 0.00 N ATOM 668 CA GLU A 47 8.529 -1.099 12.252 1.00 0.00 C ATOM 669 C GLU A 47 8.638 0.372 11.859 1.00 0.00 C ATOM 670 O GLU A 47 8.444 1.262 12.687 1.00 0.00 O ATOM 671 CB GLU A 47 9.911 -1.644 12.619 1.00 0.00 C ATOM 672 CG GLU A 47 9.864 -2.948 13.397 1.00 0.00 C ATOM 673 CD GLU A 47 9.280 -2.778 14.786 1.00 0.00 C ATOM 674 OE1 GLU A 47 9.596 -1.764 15.442 1.00 0.00 O ATOM 675 OE2 GLU A 47 8.506 -3.659 15.217 1.00 0.00 O ATOM 0 H GLU A 47 8.571 -2.585 10.774 1.00 0.00 H new ATOM 0 HA GLU A 47 7.873 -1.178 13.119 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.487 -1.796 11.706 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.442 -0.897 13.210 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.270 -3.676 12.844 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.872 -3.355 13.478 1.00 0.00 H new ATOM 682 N ASP A 48 8.951 0.617 10.592 1.00 0.00 N ATOM 683 CA ASP A 48 9.086 1.979 10.088 1.00 0.00 C ATOM 684 C ASP A 48 7.726 2.667 10.011 1.00 0.00 C ATOM 685 O ASP A 48 7.517 3.720 10.612 1.00 0.00 O ATOM 686 CB ASP A 48 9.746 1.972 8.708 1.00 0.00 C ATOM 687 CG ASP A 48 11.260 1.951 8.791 1.00 0.00 C ATOM 688 OD1 ASP A 48 11.861 3.035 8.947 1.00 0.00 O ATOM 689 OD2 ASP A 48 11.843 0.851 8.702 1.00 0.00 O ATOM 0 H ASP A 48 9.116 -0.109 9.895 1.00 0.00 H new ATOM 0 HA ASP A 48 9.717 2.536 10.781 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.403 1.101 8.149 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.428 2.854 8.152 1.00 0.00 H new ATOM 694 N GLY A 49 6.805 2.064 9.265 1.00 0.00 N ATOM 695 CA GLY A 49 5.477 2.634 9.122 1.00 0.00 C ATOM 696 C GLY A 49 4.906 2.431 7.733 1.00 0.00 C ATOM 697 O GLY A 49 4.242 3.315 7.192 1.00 0.00 O ATOM 0 H GLY A 49 6.954 1.192 8.758 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.810 2.181 9.856 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.517 3.701 9.343 1.00 0.00 H new ATOM 701 N PHE A 50 5.166 1.264 7.153 1.00 0.00 N ATOM 702 CA PHE A 50 4.675 0.949 5.816 1.00 0.00 C ATOM 703 C PHE A 50 4.004 -0.421 5.792 1.00 0.00 C ATOM 704 O PHE A 50 4.078 -1.178 6.761 1.00 0.00 O ATOM 705 CB PHE A 50 5.824 0.984 4.806 1.00 0.00 C ATOM 706 CG PHE A 50 6.417 2.352 4.621 1.00 0.00 C ATOM 707 CD1 PHE A 50 7.232 2.905 5.596 1.00 0.00 C ATOM 708 CD2 PHE A 50 6.159 3.084 3.473 1.00 0.00 C ATOM 709 CE1 PHE A 50 7.780 4.163 5.428 1.00 0.00 C ATOM 710 CE2 PHE A 50 6.705 4.342 3.301 1.00 0.00 C ATOM 711 CZ PHE A 50 7.515 4.883 4.280 1.00 0.00 C ATOM 0 H PHE A 50 5.714 0.521 7.587 1.00 0.00 H new ATOM 0 HA PHE A 50 3.936 1.701 5.541 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.606 0.299 5.133 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.463 0.620 3.844 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.441 2.347 6.497 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.525 2.667 2.705 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.415 4.582 6.194 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.498 4.902 2.401 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.940 5.867 4.148 1.00 0.00 H new ATOM 721 N TYR A 51 3.349 -0.733 4.680 1.00 0.00 N ATOM 722 CA TYR A 51 2.662 -2.010 4.529 1.00 0.00 C ATOM 723 C TYR A 51 3.279 -2.832 3.402 1.00 0.00 C ATOM 724 O TYR A 51 3.970 -2.296 2.534 1.00 0.00 O ATOM 725 CB TYR A 51 1.174 -1.784 4.256 1.00 0.00 C ATOM 726 CG TYR A 51 0.330 -1.727 5.508 1.00 0.00 C ATOM 727 CD1 TYR A 51 0.484 -2.669 6.518 1.00 0.00 C ATOM 728 CD2 TYR A 51 -0.624 -0.731 5.683 1.00 0.00 C ATOM 729 CE1 TYR A 51 -0.285 -2.621 7.664 1.00 0.00 C ATOM 730 CE2 TYR A 51 -1.397 -0.675 6.826 1.00 0.00 C ATOM 731 CZ TYR A 51 -1.224 -1.622 7.814 1.00 0.00 C ATOM 732 OH TYR A 51 -1.993 -1.570 8.953 1.00 0.00 O ATOM 0 H TYR A 51 3.279 -0.119 3.869 1.00 0.00 H new ATOM 0 HA TYR A 51 2.773 -2.565 5.461 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.052 -0.852 3.703 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.805 -2.585 3.616 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.218 -3.453 6.405 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.763 0.012 4.912 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.152 -3.362 8.439 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.133 0.106 6.946 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.604 -0.805 8.901 1.00 0.00 H new ATOM 742 N TYR A 52 3.024 -4.135 3.420 1.00 0.00 N ATOM 743 CA TYR A 52 3.555 -5.033 2.401 1.00 0.00 C ATOM 744 C TYR A 52 2.426 -5.698 1.620 1.00 0.00 C ATOM 745 O TYR A 52 1.808 -6.652 2.091 1.00 0.00 O ATOM 746 CB TYR A 52 4.444 -6.099 3.043 1.00 0.00 C ATOM 747 CG TYR A 52 5.555 -6.585 2.141 1.00 0.00 C ATOM 748 CD1 TYR A 52 5.302 -6.935 0.820 1.00 0.00 C ATOM 749 CD2 TYR A 52 6.859 -6.694 2.609 1.00 0.00 C ATOM 750 CE1 TYR A 52 6.314 -7.380 -0.008 1.00 0.00 C ATOM 751 CE2 TYR A 52 7.878 -7.137 1.788 1.00 0.00 C ATOM 752 CZ TYR A 52 7.600 -7.479 0.481 1.00 0.00 C ATOM 753 OH TYR A 52 8.612 -7.921 -0.341 1.00 0.00 O ATOM 0 H TYR A 52 2.452 -4.594 4.129 1.00 0.00 H new ATOM 0 HA TYR A 52 4.153 -4.442 1.708 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.880 -5.694 3.956 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.826 -6.948 3.334 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.296 -6.858 0.434 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.080 -6.428 3.632 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.100 -7.649 -1.032 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.886 -7.215 2.167 1.00 0.00 H new ATOM 0 HH TYR A 52 9.456 -7.932 0.156 1.00 0.00 H new ATOM 763 N GLY A 53 2.164 -5.187 0.420 1.00 0.00 N ATOM 764 CA GLY A 53 1.111 -5.744 -0.409 1.00 0.00 C ATOM 765 C GLY A 53 1.552 -5.951 -1.844 1.00 0.00 C ATOM 766 O GLY A 53 2.682 -5.626 -2.206 1.00 0.00 O ATOM 0 H GLY A 53 2.662 -4.398 0.008 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.789 -6.697 0.010 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.247 -5.079 -0.390 1.00 0.00 H new ATOM 770 N GLU A 54 0.658 -6.496 -2.664 1.00 0.00 N ATOM 771 CA GLU A 54 0.963 -6.749 -4.067 1.00 0.00 C ATOM 772 C GLU A 54 0.103 -5.876 -4.976 1.00 0.00 C ATOM 773 O GLU A 54 -1.019 -5.508 -4.624 1.00 0.00 O ATOM 774 CB GLU A 54 0.743 -8.226 -4.402 1.00 0.00 C ATOM 775 CG GLU A 54 1.561 -8.710 -5.587 1.00 0.00 C ATOM 776 CD GLU A 54 0.919 -9.885 -6.298 1.00 0.00 C ATOM 777 OE1 GLU A 54 0.025 -9.654 -7.138 1.00 0.00 O ATOM 778 OE2 GLU A 54 1.312 -11.036 -6.014 1.00 0.00 O ATOM 0 H GLU A 54 -0.283 -6.770 -2.381 1.00 0.00 H new ATOM 0 HA GLU A 54 2.010 -6.498 -4.236 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.992 -8.829 -3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.314 -8.389 -4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.691 -7.890 -6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.555 -8.997 -5.245 1.00 0.00 H new ATOM 785 N LEU A 55 0.636 -5.548 -6.148 1.00 0.00 N ATOM 786 CA LEU A 55 -0.081 -4.717 -7.109 1.00 0.00 C ATOM 787 C LEU A 55 0.414 -4.976 -8.529 1.00 0.00 C ATOM 788 O LEU A 55 1.610 -5.149 -8.757 1.00 0.00 O ATOM 789 CB LEU A 55 0.087 -3.237 -6.760 1.00 0.00 C ATOM 790 CG LEU A 55 -0.347 -2.241 -7.836 1.00 0.00 C ATOM 791 CD1 LEU A 55 -1.864 -2.176 -7.923 1.00 0.00 C ATOM 792 CD2 LEU A 55 0.232 -0.863 -7.551 1.00 0.00 C ATOM 0 H LEU A 55 1.562 -5.845 -6.456 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.138 -4.977 -7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.481 -3.031 -5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.136 -3.056 -6.527 1.00 0.00 H new ATOM 0 HG LEU A 55 0.037 -2.583 -8.797 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.154 -1.462 -8.694 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.257 -3.161 -8.175 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.270 -1.858 -6.963 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.087 -0.167 -8.327 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.122 -0.513 -6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.320 -0.921 -7.541 1.00 0.00 H new ATOM 804 N ASN A 56 -0.515 -4.999 -9.479 1.00 0.00 N ATOM 805 CA ASN A 56 -0.173 -5.235 -10.877 1.00 0.00 C ATOM 806 C ASN A 56 0.887 -6.326 -11.001 1.00 0.00 C ATOM 807 O ASN A 56 1.757 -6.265 -11.868 1.00 0.00 O ATOM 808 CB ASN A 56 0.330 -3.944 -11.525 1.00 0.00 C ATOM 809 CG ASN A 56 -0.713 -2.844 -11.508 1.00 0.00 C ATOM 810 OD1 ASN A 56 -1.914 -3.112 -11.450 1.00 0.00 O ATOM 811 ND2 ASN A 56 -0.259 -1.597 -11.559 1.00 0.00 N ATOM 0 H ASN A 56 -1.510 -4.857 -9.306 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.073 -5.567 -11.395 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.223 -3.602 -11.002 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.622 -4.148 -12.555 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.914 -0.815 -11.551 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.745 -1.421 -11.606 1.00 0.00 H new ATOM 818 N GLY A 57 0.806 -7.325 -10.126 1.00 0.00 N ATOM 819 CA GLY A 57 1.762 -8.415 -10.155 1.00 0.00 C ATOM 820 C GLY A 57 3.124 -8.006 -9.629 1.00 0.00 C ATOM 821 O GLY A 57 4.150 -8.491 -10.104 1.00 0.00 O ATOM 0 H GLY A 57 0.095 -7.398 -9.398 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.380 -9.245 -9.560 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.865 -8.777 -11.178 1.00 0.00 H new ATOM 825 N GLN A 58 3.133 -7.109 -8.648 1.00 0.00 N ATOM 826 CA GLN A 58 4.379 -6.633 -8.060 1.00 0.00 C ATOM 827 C GLN A 58 4.285 -6.601 -6.538 1.00 0.00 C ATOM 828 O GLN A 58 3.290 -6.143 -5.976 1.00 0.00 O ATOM 829 CB GLN A 58 4.719 -5.240 -8.592 1.00 0.00 C ATOM 830 CG GLN A 58 5.416 -5.257 -9.943 1.00 0.00 C ATOM 831 CD GLN A 58 6.921 -5.393 -9.821 1.00 0.00 C ATOM 832 OE1 GLN A 58 7.426 -6.034 -8.899 1.00 0.00 O ATOM 833 NE2 GLN A 58 7.647 -4.789 -10.754 1.00 0.00 N ATOM 0 H GLN A 58 2.292 -6.698 -8.244 1.00 0.00 H new ATOM 0 HA GLN A 58 5.173 -7.325 -8.342 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.801 -4.658 -8.673 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.357 -4.730 -7.870 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.027 -6.084 -10.538 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.180 -4.339 -10.481 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.187 -4.268 -11.501 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.665 -4.846 -10.724 1.00 0.00 H new ATOM 842 N LYS A 59 5.328 -7.090 -5.876 1.00 0.00 N ATOM 843 CA LYS A 59 5.365 -7.117 -4.418 1.00 0.00 C ATOM 844 C LYS A 59 6.349 -6.084 -3.880 1.00 0.00 C ATOM 845 O LYS A 59 7.525 -6.085 -4.242 1.00 0.00 O ATOM 846 CB LYS A 59 5.751 -8.512 -3.923 1.00 0.00 C ATOM 847 CG LYS A 59 4.669 -9.556 -4.138 1.00 0.00 C ATOM 848 CD LYS A 59 5.069 -10.902 -3.559 1.00 0.00 C ATOM 849 CE LYS A 59 3.852 -11.757 -3.242 1.00 0.00 C ATOM 850 NZ LYS A 59 3.053 -11.191 -2.120 1.00 0.00 N ATOM 0 H LYS A 59 6.159 -7.473 -6.326 1.00 0.00 H new ATOM 0 HA LYS A 59 4.369 -6.871 -4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.659 -8.831 -4.435 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.986 -8.459 -2.860 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.741 -9.221 -3.674 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.472 -9.662 -5.205 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.710 -11.428 -4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.654 -10.750 -2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.225 -11.839 -4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.174 -12.766 -2.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.478 -11.943 -1.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.694 -10.792 -1.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.429 -10.442 -2.482 1.00 0.00 H new ATOM 864 N GLY A 60 5.861 -5.204 -3.011 1.00 0.00 N ATOM 865 CA GLY A 60 6.712 -4.179 -2.436 1.00 0.00 C ATOM 866 C GLY A 60 6.126 -3.579 -1.173 1.00 0.00 C ATOM 867 O GLY A 60 5.433 -4.261 -0.417 1.00 0.00 O ATOM 0 H GLY A 60 4.891 -5.183 -2.695 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.689 -4.606 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.870 -3.389 -3.170 1.00 0.00 H new ATOM 871 N LEU A 61 6.403 -2.300 -0.943 1.00 0.00 N ATOM 872 CA LEU A 61 5.899 -1.609 0.238 1.00 0.00 C ATOM 873 C LEU A 61 4.936 -0.493 -0.154 1.00 0.00 C ATOM 874 O LEU A 61 5.024 0.061 -1.249 1.00 0.00 O ATOM 875 CB LEU A 61 7.061 -1.033 1.051 1.00 0.00 C ATOM 876 CG LEU A 61 7.986 -2.053 1.715 1.00 0.00 C ATOM 877 CD1 LEU A 61 9.290 -1.395 2.139 1.00 0.00 C ATOM 878 CD2 LEU A 61 7.298 -2.697 2.910 1.00 0.00 C ATOM 0 H LEU A 61 6.974 -1.721 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 61 5.359 -2.332 0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.660 -0.402 0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.650 -0.386 1.826 1.00 0.00 H new ATOM 0 HG LEU A 61 8.216 -2.833 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.936 -2.137 2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.791 -0.982 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.080 -0.595 2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.971 -3.420 3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.038 -1.928 3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.392 -3.204 2.578 1.00 0.00 H new ATOM 890 N VAL A 62 4.017 -0.167 0.750 1.00 0.00 N ATOM 891 CA VAL A 62 3.039 0.885 0.501 1.00 0.00 C ATOM 892 C VAL A 62 2.722 1.655 1.778 1.00 0.00 C ATOM 893 O VAL A 62 2.505 1.077 2.843 1.00 0.00 O ATOM 894 CB VAL A 62 1.732 0.310 -0.077 1.00 0.00 C ATOM 895 CG1 VAL A 62 1.923 -0.093 -1.531 1.00 0.00 C ATOM 896 CG2 VAL A 62 1.256 -0.872 0.754 1.00 0.00 C ATOM 0 H VAL A 62 3.930 -0.617 1.661 1.00 0.00 H new ATOM 0 HA VAL A 62 3.483 1.564 -0.228 1.00 0.00 H new ATOM 0 HB VAL A 62 0.966 1.085 -0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.989 -0.497 -1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.214 0.780 -2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.703 -0.851 -1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.332 -1.265 0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.018 -1.651 0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.077 -0.547 1.779 1.00 0.00 H new ATOM 906 N PRO A 63 2.693 2.991 1.671 1.00 0.00 N ATOM 907 CA PRO A 63 2.402 3.870 2.808 1.00 0.00 C ATOM 908 C PRO A 63 0.947 3.776 3.255 1.00 0.00 C ATOM 909 O PRO A 63 0.030 4.046 2.479 1.00 0.00 O ATOM 910 CB PRO A 63 2.705 5.268 2.262 1.00 0.00 C ATOM 911 CG PRO A 63 2.521 5.147 0.789 1.00 0.00 C ATOM 912 CD PRO A 63 2.941 3.748 0.432 1.00 0.00 C ATOM 0 HA PRO A 63 2.987 3.606 3.689 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.031 6.013 2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.720 5.579 2.510 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.483 5.326 0.510 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.125 5.883 0.259 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.360 3.355 -0.402 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.990 3.706 0.138 1.00 0.00 H new ATOM 920 N SER A 64 0.743 3.394 4.512 1.00 0.00 N ATOM 921 CA SER A 64 -0.601 3.261 5.061 1.00 0.00 C ATOM 922 C SER A 64 -1.327 4.603 5.049 1.00 0.00 C ATOM 923 O SER A 64 -2.544 4.664 5.221 1.00 0.00 O ATOM 924 CB SER A 64 -0.540 2.715 6.489 1.00 0.00 C ATOM 925 OG SER A 64 -1.816 2.750 7.104 1.00 0.00 O ATOM 0 H SER A 64 1.491 3.171 5.169 1.00 0.00 H new ATOM 0 HA SER A 64 -1.155 2.561 4.435 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.168 1.691 6.474 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.166 3.302 7.076 1.00 0.00 H new ATOM 0 HG SER A 64 -2.381 3.408 6.648 1.00 0.00 H new ATOM 931 N ASN A 65 -0.571 5.677 4.846 1.00 0.00 N ATOM 932 CA ASN A 65 -1.141 7.018 4.812 1.00 0.00 C ATOM 933 C ASN A 65 -1.734 7.323 3.439 1.00 0.00 C ATOM 934 O ASN A 65 -2.223 8.425 3.193 1.00 0.00 O ATOM 935 CB ASN A 65 -0.074 8.058 5.161 1.00 0.00 C ATOM 936 CG ASN A 65 0.675 7.713 6.433 1.00 0.00 C ATOM 937 OD1 ASN A 65 0.094 7.196 7.388 1.00 0.00 O ATOM 938 ND2 ASN A 65 1.972 7.998 6.453 1.00 0.00 N ATOM 0 H ASN A 65 0.438 5.644 4.703 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.940 7.064 5.552 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.634 8.139 4.336 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.545 9.034 5.274 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.527 7.788 7.282 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.413 8.426 5.639 1.00 0.00 H new ATOM 945 N PHE A 66 -1.687 6.337 2.549 1.00 0.00 N ATOM 946 CA PHE A 66 -2.219 6.499 1.201 1.00 0.00 C ATOM 947 C PHE A 66 -3.187 5.371 0.859 1.00 0.00 C ATOM 948 O PHE A 66 -3.457 5.102 -0.313 1.00 0.00 O ATOM 949 CB PHE A 66 -1.079 6.535 0.181 1.00 0.00 C ATOM 950 CG PHE A 66 -0.187 7.736 0.320 1.00 0.00 C ATOM 951 CD1 PHE A 66 0.556 7.933 1.473 1.00 0.00 C ATOM 952 CD2 PHE A 66 -0.093 8.667 -0.701 1.00 0.00 C ATOM 953 CE1 PHE A 66 1.378 9.036 1.604 1.00 0.00 C ATOM 954 CE2 PHE A 66 0.728 9.772 -0.576 1.00 0.00 C ATOM 955 CZ PHE A 66 1.463 9.958 0.579 1.00 0.00 C ATOM 0 H PHE A 66 -1.286 5.418 2.737 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.762 7.444 1.163 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.478 5.632 0.288 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.501 6.520 -0.824 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.492 7.216 2.278 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.668 8.528 -1.605 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.953 9.177 2.507 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.795 10.489 -1.381 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.103 10.822 0.680 1.00 0.00 H new ATOM 965 N LEU A 67 -3.707 4.713 1.889 1.00 0.00 N ATOM 966 CA LEU A 67 -4.645 3.612 1.700 1.00 0.00 C ATOM 967 C LEU A 67 -5.771 3.673 2.727 1.00 0.00 C ATOM 968 O LEU A 67 -5.643 4.325 3.763 1.00 0.00 O ATOM 969 CB LEU A 67 -3.916 2.271 1.804 1.00 0.00 C ATOM 970 CG LEU A 67 -2.533 2.207 1.156 1.00 0.00 C ATOM 971 CD1 LEU A 67 -1.834 0.905 1.517 1.00 0.00 C ATOM 972 CD2 LEU A 67 -2.643 2.355 -0.354 1.00 0.00 C ATOM 0 H LEU A 67 -3.495 4.923 2.864 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.081 3.705 0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.813 2.017 2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.543 1.503 1.351 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.935 3.034 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.851 0.877 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.721 0.841 2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.429 0.063 1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.649 2.307 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.258 1.550 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.101 3.315 -0.593 1.00 0.00 H new ATOM 984 N GLU A 68 -6.871 2.988 2.433 1.00 0.00 N ATOM 985 CA GLU A 68 -8.018 2.964 3.333 1.00 0.00 C ATOM 986 C GLU A 68 -8.809 1.668 3.172 1.00 0.00 C ATOM 987 O GLU A 68 -9.262 1.338 2.077 1.00 0.00 O ATOM 988 CB GLU A 68 -8.928 4.165 3.068 1.00 0.00 C ATOM 989 CG GLU A 68 -10.198 4.163 3.902 1.00 0.00 C ATOM 990 CD GLU A 68 -9.953 4.579 5.340 1.00 0.00 C ATOM 991 OE1 GLU A 68 -9.446 5.700 5.554 1.00 0.00 O ATOM 992 OE2 GLU A 68 -10.268 3.785 6.250 1.00 0.00 O ATOM 0 H GLU A 68 -6.992 2.443 1.580 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.645 3.018 4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.373 5.082 3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.197 4.180 2.012 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.925 4.838 3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.637 3.165 3.886 1.00 0.00 H new ATOM 999 N GLU A 69 -8.969 0.939 4.272 1.00 0.00 N ATOM 1000 CA GLU A 69 -9.704 -0.321 4.252 1.00 0.00 C ATOM 1001 C GLU A 69 -10.985 -0.191 3.434 1.00 0.00 C ATOM 1002 O GLU A 69 -11.795 0.707 3.666 1.00 0.00 O ATOM 1003 CB GLU A 69 -10.039 -0.764 5.678 1.00 0.00 C ATOM 1004 CG GLU A 69 -10.547 -2.193 5.768 1.00 0.00 C ATOM 1005 CD GLU A 69 -11.019 -2.558 7.162 1.00 0.00 C ATOM 1006 OE1 GLU A 69 -11.941 -1.886 7.670 1.00 0.00 O ATOM 1007 OE2 GLU A 69 -10.467 -3.514 7.744 1.00 0.00 O ATOM 0 H GLU A 69 -8.600 1.198 5.187 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.070 -1.074 3.784 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.149 -0.664 6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.792 -0.093 6.090 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.368 -2.328 5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.753 -2.876 5.467 1.00 0.00 H new ATOM 1014 N VAL A 70 -11.162 -1.093 2.474 1.00 0.00 N ATOM 1015 CA VAL A 70 -12.344 -1.081 1.621 1.00 0.00 C ATOM 1016 C VAL A 70 -13.495 -1.845 2.266 1.00 0.00 C ATOM 1017 O VAL A 70 -13.290 -2.886 2.890 1.00 0.00 O ATOM 1018 CB VAL A 70 -12.046 -1.694 0.240 1.00 0.00 C ATOM 1019 CG1 VAL A 70 -13.301 -1.713 -0.618 1.00 0.00 C ATOM 1020 CG2 VAL A 70 -10.928 -0.928 -0.452 1.00 0.00 C ATOM 0 H VAL A 70 -10.501 -1.842 2.268 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.631 -0.037 1.493 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.717 -2.723 0.382 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.071 -2.150 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.069 -2.309 -0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -13.664 -0.694 -0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.730 -1.374 -1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.227 0.112 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.025 -0.972 0.157 1.00 0.00 H new ATOM 1030 N SER A 71 -14.707 -1.320 2.111 1.00 0.00 N ATOM 1031 CA SER A 71 -15.891 -1.951 2.681 1.00 0.00 C ATOM 1032 C SER A 71 -17.032 -1.979 1.668 1.00 0.00 C ATOM 1033 O SER A 71 -17.062 -1.186 0.728 1.00 0.00 O ATOM 1034 CB SER A 71 -16.333 -1.209 3.944 1.00 0.00 C ATOM 1035 OG SER A 71 -15.270 -1.113 4.876 1.00 0.00 O ATOM 0 H SER A 71 -14.894 -0.460 1.596 1.00 0.00 H new ATOM 0 HA SER A 71 -15.635 -2.978 2.943 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.681 -0.210 3.680 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.175 -1.730 4.400 1.00 0.00 H new ATOM 0 HG SER A 71 -15.577 -0.634 5.674 1.00 0.00 H new ATOM 1041 N GLY A 72 -17.971 -2.898 1.869 1.00 0.00 N ATOM 1042 CA GLY A 72 -19.102 -3.013 0.967 1.00 0.00 C ATOM 1043 C GLY A 72 -20.008 -4.177 1.317 1.00 0.00 C ATOM 1044 O GLY A 72 -19.565 -5.201 1.838 1.00 0.00 O ATOM 0 H GLY A 72 -17.969 -3.565 2.641 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -19.678 -2.088 0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -18.738 -3.134 -0.053 1.00 0.00 H new ATOM 1048 N PRO A 73 -21.309 -4.026 1.031 1.00 0.00 N ATOM 1049 CA PRO A 73 -22.307 -5.062 1.312 1.00 0.00 C ATOM 1050 C PRO A 73 -22.149 -6.280 0.408 1.00 0.00 C ATOM 1051 O PRO A 73 -22.614 -6.283 -0.732 1.00 0.00 O ATOM 1052 CB PRO A 73 -23.638 -4.359 1.034 1.00 0.00 C ATOM 1053 CG PRO A 73 -23.300 -3.280 0.063 1.00 0.00 C ATOM 1054 CD PRO A 73 -21.907 -2.832 0.410 1.00 0.00 C ATOM 0 HA PRO A 73 -22.218 -5.448 2.327 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -24.372 -5.050 0.619 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -24.068 -3.949 1.948 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -23.348 -3.648 -0.962 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -24.006 -2.453 0.137 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -21.353 -2.520 -0.475 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -21.917 -1.985 1.096 1.00 0.00 H new ATOM 1062 N SER A 74 -21.491 -7.313 0.924 1.00 0.00 N ATOM 1063 CA SER A 74 -21.268 -8.536 0.162 1.00 0.00 C ATOM 1064 C SER A 74 -22.592 -9.221 -0.164 1.00 0.00 C ATOM 1065 O SER A 74 -22.906 -9.468 -1.328 1.00 0.00 O ATOM 1066 CB SER A 74 -20.365 -9.492 0.943 1.00 0.00 C ATOM 1067 OG SER A 74 -20.298 -10.760 0.313 1.00 0.00 O ATOM 0 H SER A 74 -21.103 -7.327 1.867 1.00 0.00 H new ATOM 0 HA SER A 74 -20.777 -8.268 -0.773 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.364 -9.068 1.022 1.00 0.00 H new ATOM 0 HB3 SER A 74 -20.744 -9.607 1.959 1.00 0.00 H new ATOM 0 HG SER A 74 -19.714 -11.352 0.831 1.00 0.00 H new ATOM 1073 N SER A 75 -23.364 -9.526 0.874 1.00 0.00 N ATOM 1074 CA SER A 75 -24.653 -10.187 0.701 1.00 0.00 C ATOM 1075 C SER A 75 -25.774 -9.162 0.562 1.00 0.00 C ATOM 1076 O SER A 75 -25.872 -8.221 1.349 1.00 0.00 O ATOM 1077 CB SER A 75 -24.937 -11.114 1.884 1.00 0.00 C ATOM 1078 OG SER A 75 -24.795 -10.429 3.115 1.00 0.00 O ATOM 0 H SER A 75 -23.120 -9.326 1.844 1.00 0.00 H new ATOM 0 HA SER A 75 -24.611 -10.779 -0.213 1.00 0.00 H new ATOM 0 HB2 SER A 75 -25.947 -11.514 1.802 1.00 0.00 H new ATOM 0 HB3 SER A 75 -24.254 -11.963 1.856 1.00 0.00 H new ATOM 0 HG SER A 75 -24.984 -11.043 3.855 1.00 0.00 H new ATOM 1084 N GLY A 76 -26.620 -9.352 -0.446 1.00 0.00 N ATOM 1085 CA GLY A 76 -27.724 -8.437 -0.671 1.00 0.00 C ATOM 1086 C GLY A 76 -27.371 -7.332 -1.646 1.00 0.00 C ATOM 1087 O GLY A 76 -27.852 -7.317 -2.779 1.00 0.00 O ATOM 0 H GLY A 76 -26.561 -10.123 -1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -28.581 -8.993 -1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -28.026 -7.996 0.279 1.00 0.00 H new TER 1091 GLY A 76