USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=19 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (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 158:sc= -0.0735 (180deg=-0.365) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 130:sc= 1.05 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 166:sc= 0.122 USER MOD Single : A 24 ASN : amide:sc= -3.49! C(o=-3.5!,f=-3.7!) 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 105:sc= 0.542 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.133 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.408 X(o=-0.41,f=-0.14) USER MOD Single : A 58 GLN : amide:sc= -0.0498 K(o=-0.05,f=-2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.0973 K(o=-0.097,f=-1.8!) USER MOD Single : A 71 SER OG : rot 57:sc= 0.165 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 -6.301 -26.312 -2.220 1.00 0.00 N ATOM 2 CA GLY A 1 -5.625 -26.406 -3.500 1.00 0.00 C ATOM 3 C GLY A 1 -4.818 -25.163 -3.822 1.00 0.00 C ATOM 4 O GLY A 1 -3.818 -24.877 -3.165 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.838 -27.185 -2.046 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.598 -26.182 -1.465 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.952 -25.501 -2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.965 -27.273 -3.496 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.362 -26.570 -4.286 1.00 0.00 H new ATOM 8 N SER A 2 -5.253 -24.424 -4.838 1.00 0.00 N ATOM 9 CA SER A 2 -4.561 -23.208 -5.249 1.00 0.00 C ATOM 10 C SER A 2 -4.973 -22.027 -4.376 1.00 0.00 C ATOM 11 O SER A 2 -6.002 -21.394 -4.614 1.00 0.00 O ATOM 12 CB SER A 2 -4.858 -22.899 -6.718 1.00 0.00 C ATOM 13 OG SER A 2 -3.824 -22.120 -7.294 1.00 0.00 O ATOM 0 H SER A 2 -6.081 -24.646 -5.391 1.00 0.00 H new ATOM 0 HA SER A 2 -3.490 -23.370 -5.128 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.969 -23.830 -7.274 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.806 -22.366 -6.797 1.00 0.00 H new ATOM 0 HG SER A 2 -4.036 -21.937 -8.233 1.00 0.00 H new ATOM 19 N SER A 3 -4.162 -21.736 -3.364 1.00 0.00 N ATOM 20 CA SER A 3 -4.443 -20.633 -2.452 1.00 0.00 C ATOM 21 C SER A 3 -3.179 -19.826 -2.170 1.00 0.00 C ATOM 22 O SER A 3 -2.091 -20.174 -2.628 1.00 0.00 O ATOM 23 CB SER A 3 -5.025 -21.164 -1.141 1.00 0.00 C ATOM 24 OG SER A 3 -6.404 -21.461 -1.279 1.00 0.00 O ATOM 0 H SER A 3 -3.305 -22.248 -3.155 1.00 0.00 H new ATOM 0 HA SER A 3 -5.173 -19.978 -2.927 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.485 -22.061 -0.837 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.886 -20.425 -0.352 1.00 0.00 H new ATOM 0 HG SER A 3 -6.752 -21.800 -0.428 1.00 0.00 H new ATOM 30 N GLY A 4 -3.332 -18.744 -1.413 1.00 0.00 N ATOM 31 CA GLY A 4 -2.196 -17.903 -1.082 1.00 0.00 C ATOM 32 C GLY A 4 -2.370 -17.188 0.243 1.00 0.00 C ATOM 33 O GLY A 4 -3.393 -17.344 0.911 1.00 0.00 O ATOM 0 H GLY A 4 -4.222 -18.435 -1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.294 -18.514 -1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.051 -17.167 -1.872 1.00 0.00 H new ATOM 37 N SER A 5 -1.368 -16.403 0.627 1.00 0.00 N ATOM 38 CA SER A 5 -1.413 -15.666 1.884 1.00 0.00 C ATOM 39 C SER A 5 -2.731 -14.911 2.025 1.00 0.00 C ATOM 40 O SER A 5 -3.500 -14.799 1.070 1.00 0.00 O ATOM 41 CB SER A 5 -0.240 -14.688 1.967 1.00 0.00 C ATOM 42 OG SER A 5 1.000 -15.368 1.876 1.00 0.00 O ATOM 0 H SER A 5 -0.515 -16.261 0.085 1.00 0.00 H new ATOM 0 HA SER A 5 -1.337 -16.384 2.701 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.316 -13.955 1.164 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.288 -14.137 2.906 1.00 0.00 H new ATOM 0 HG SER A 5 1.733 -14.720 1.930 1.00 0.00 H new ATOM 48 N SER A 6 -2.985 -14.394 3.223 1.00 0.00 N ATOM 49 CA SER A 6 -4.211 -13.653 3.491 1.00 0.00 C ATOM 50 C SER A 6 -3.916 -12.169 3.693 1.00 0.00 C ATOM 51 O SER A 6 -3.022 -11.801 4.453 1.00 0.00 O ATOM 52 CB SER A 6 -4.913 -14.217 4.728 1.00 0.00 C ATOM 53 OG SER A 6 -6.265 -13.797 4.783 1.00 0.00 O ATOM 0 H SER A 6 -2.358 -14.475 4.023 1.00 0.00 H new ATOM 0 HA SER A 6 -4.868 -13.761 2.628 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.868 -15.306 4.711 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.391 -13.890 5.627 1.00 0.00 H new ATOM 0 HG SER A 6 -6.692 -14.172 5.581 1.00 0.00 H new ATOM 59 N GLY A 7 -4.676 -11.322 3.004 1.00 0.00 N ATOM 60 CA GLY A 7 -4.481 -9.889 3.121 1.00 0.00 C ATOM 61 C GLY A 7 -5.769 -9.112 2.938 1.00 0.00 C ATOM 62 O GLY A 7 -6.827 -9.697 2.705 1.00 0.00 O ATOM 0 H GLY A 7 -5.422 -11.603 2.368 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.059 -9.662 4.100 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.754 -9.562 2.377 1.00 0.00 H new ATOM 66 N ARG A 8 -5.682 -7.790 3.045 1.00 0.00 N ATOM 67 CA ARG A 8 -6.851 -6.932 2.892 1.00 0.00 C ATOM 68 C ARG A 8 -6.683 -5.990 1.704 1.00 0.00 C ATOM 69 O ARG A 8 -5.595 -5.466 1.464 1.00 0.00 O ATOM 70 CB ARG A 8 -7.086 -6.123 4.169 1.00 0.00 C ATOM 71 CG ARG A 8 -6.023 -5.067 4.425 1.00 0.00 C ATOM 72 CD ARG A 8 -6.164 -4.459 5.812 1.00 0.00 C ATOM 73 NE ARG A 8 -5.496 -5.263 6.832 1.00 0.00 N ATOM 74 CZ ARG A 8 -5.746 -5.155 8.133 1.00 0.00 C ATOM 75 NH1 ARG A 8 -6.643 -4.282 8.569 1.00 0.00 N ATOM 76 NH2 ARG A 8 -5.097 -5.922 9.000 1.00 0.00 N ATOM 0 H ARG A 8 -4.814 -7.290 3.237 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.716 -7.569 2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.060 -5.638 4.108 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.122 -6.804 5.019 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.034 -5.512 4.321 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.100 -4.282 3.673 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -5.745 -3.453 5.811 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.221 -4.364 6.060 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.800 -5.944 6.530 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.144 -3.691 7.906 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.833 -4.201 9.568 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.406 -6.595 8.668 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.289 -5.839 9.998 1.00 0.00 H new ATOM 90 N ARG A 9 -7.766 -5.781 0.964 1.00 0.00 N ATOM 91 CA ARG A 9 -7.738 -4.904 -0.201 1.00 0.00 C ATOM 92 C ARG A 9 -7.883 -3.443 0.216 1.00 0.00 C ATOM 93 O ARG A 9 -8.918 -3.037 0.742 1.00 0.00 O ATOM 94 CB ARG A 9 -8.855 -5.280 -1.176 1.00 0.00 C ATOM 95 CG ARG A 9 -8.487 -6.419 -2.112 1.00 0.00 C ATOM 96 CD ARG A 9 -9.713 -6.976 -2.821 1.00 0.00 C ATOM 97 NE ARG A 9 -10.081 -6.177 -3.986 1.00 0.00 N ATOM 98 CZ ARG A 9 -11.025 -6.530 -4.851 1.00 0.00 C ATOM 99 NH1 ARG A 9 -11.693 -7.663 -4.682 1.00 0.00 N ATOM 100 NH2 ARG A 9 -11.304 -5.750 -5.887 1.00 0.00 N ATOM 0 H ARG A 9 -8.674 -6.207 1.150 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.775 -5.030 -0.696 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.743 -5.560 -0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.119 -4.404 -1.769 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.767 -6.066 -2.851 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.000 -7.213 -1.546 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.517 -8.002 -3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.551 -7.009 -2.125 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.586 -5.299 -4.144 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.482 -8.265 -3.886 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.418 -7.932 -5.348 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.793 -4.877 -6.020 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.029 -6.023 -6.550 1.00 0.00 H new ATOM 114 N MET A 10 -6.837 -2.658 -0.024 1.00 0.00 N ATOM 115 CA MET A 10 -6.848 -1.243 0.326 1.00 0.00 C ATOM 116 C MET A 10 -7.016 -0.377 -0.918 1.00 0.00 C ATOM 117 O MET A 10 -6.591 -0.753 -2.011 1.00 0.00 O ATOM 118 CB MET A 10 -5.556 -0.865 1.054 1.00 0.00 C ATOM 119 CG MET A 10 -5.167 -1.845 2.148 1.00 0.00 C ATOM 120 SD MET A 10 -4.232 -1.065 3.478 1.00 0.00 S ATOM 121 CE MET A 10 -5.510 -0.086 4.262 1.00 0.00 C ATOM 0 H MET A 10 -5.972 -2.978 -0.459 1.00 0.00 H new ATOM 0 HA MET A 10 -7.695 -1.065 0.989 1.00 0.00 H new ATOM 0 HB2 MET A 10 -4.745 -0.802 0.329 1.00 0.00 H new ATOM 0 HB3 MET A 10 -5.671 0.127 1.490 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.068 -2.300 2.560 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.573 -2.650 1.715 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.219 0.137 5.289 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.643 0.846 3.712 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.446 -0.644 4.263 1.00 0.00 H new ATOM 131 N VAL A 11 -7.639 0.785 -0.746 1.00 0.00 N ATOM 132 CA VAL A 11 -7.862 1.705 -1.855 1.00 0.00 C ATOM 133 C VAL A 11 -7.018 2.965 -1.702 1.00 0.00 C ATOM 134 O VAL A 11 -7.126 3.680 -0.706 1.00 0.00 O ATOM 135 CB VAL A 11 -9.346 2.104 -1.963 1.00 0.00 C ATOM 136 CG1 VAL A 11 -9.760 2.951 -0.769 1.00 0.00 C ATOM 137 CG2 VAL A 11 -9.605 2.843 -3.267 1.00 0.00 C ATOM 0 H VAL A 11 -7.998 1.111 0.151 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.567 1.182 -2.765 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.949 1.196 -1.960 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.811 3.223 -0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.613 2.382 0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.153 3.855 -0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.658 3.117 -3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.993 3.744 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.350 2.198 -4.108 1.00 0.00 H new ATOM 147 N ALA A 12 -6.178 3.232 -2.697 1.00 0.00 N ATOM 148 CA ALA A 12 -5.317 4.408 -2.675 1.00 0.00 C ATOM 149 C ALA A 12 -6.138 5.688 -2.560 1.00 0.00 C ATOM 150 O ALA A 12 -6.886 6.042 -3.472 1.00 0.00 O ATOM 151 CB ALA A 12 -4.446 4.448 -3.922 1.00 0.00 C ATOM 0 H ALA A 12 -6.076 2.650 -3.528 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.674 4.340 -1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.808 5.331 -3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.825 3.553 -3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.080 4.488 -4.808 1.00 0.00 H new ATOM 157 N LEU A 13 -5.995 6.378 -1.433 1.00 0.00 N ATOM 158 CA LEU A 13 -6.725 7.619 -1.198 1.00 0.00 C ATOM 159 C LEU A 13 -6.144 8.758 -2.031 1.00 0.00 C ATOM 160 O LEU A 13 -6.878 9.601 -2.546 1.00 0.00 O ATOM 161 CB LEU A 13 -6.683 7.985 0.286 1.00 0.00 C ATOM 162 CG LEU A 13 -7.454 7.058 1.227 1.00 0.00 C ATOM 163 CD1 LEU A 13 -7.141 7.390 2.678 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.950 7.158 0.967 1.00 0.00 C ATOM 0 H LEU A 13 -5.380 6.099 -0.668 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.761 7.465 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.641 8.009 0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.075 8.996 0.402 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.139 6.033 1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.698 6.720 3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.073 7.267 2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.427 8.421 2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.483 6.492 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.280 8.184 1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.160 6.870 -0.063 1.00 0.00 H new ATOM 176 N TYR A 14 -4.822 8.774 -2.160 1.00 0.00 N ATOM 177 CA TYR A 14 -4.142 9.809 -2.930 1.00 0.00 C ATOM 178 C TYR A 14 -2.941 9.235 -3.674 1.00 0.00 C ATOM 179 O TYR A 14 -2.118 8.527 -3.094 1.00 0.00 O ATOM 180 CB TYR A 14 -3.691 10.945 -2.010 1.00 0.00 C ATOM 181 CG TYR A 14 -4.761 11.407 -1.048 1.00 0.00 C ATOM 182 CD1 TYR A 14 -5.643 12.423 -1.395 1.00 0.00 C ATOM 183 CD2 TYR A 14 -4.891 10.828 0.209 1.00 0.00 C ATOM 184 CE1 TYR A 14 -6.623 12.849 -0.519 1.00 0.00 C ATOM 185 CE2 TYR A 14 -5.869 11.247 1.091 1.00 0.00 C ATOM 186 CZ TYR A 14 -6.732 12.258 0.722 1.00 0.00 C ATOM 187 OH TYR A 14 -7.706 12.679 1.598 1.00 0.00 O ATOM 0 H TYR A 14 -4.200 8.082 -1.742 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.846 10.202 -3.663 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.821 10.617 -1.442 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.373 11.791 -2.620 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.561 12.888 -2.366 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.216 10.037 0.501 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.300 13.641 -0.805 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.957 10.786 2.063 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.647 12.160 2.427 1.00 0.00 H new ATOM 197 N ASP A 15 -2.848 9.545 -4.962 1.00 0.00 N ATOM 198 CA ASP A 15 -1.747 9.062 -5.788 1.00 0.00 C ATOM 199 C ASP A 15 -0.424 9.145 -5.032 1.00 0.00 C ATOM 200 O ASP A 15 -0.023 10.218 -4.580 1.00 0.00 O ATOM 201 CB ASP A 15 -1.661 9.869 -7.084 1.00 0.00 C ATOM 202 CG ASP A 15 -1.949 11.342 -6.869 1.00 0.00 C ATOM 203 OD1 ASP A 15 -0.998 12.095 -6.571 1.00 0.00 O ATOM 204 OD2 ASP A 15 -3.124 11.741 -6.999 1.00 0.00 O ATOM 0 H ASP A 15 -3.522 10.129 -5.457 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.940 8.017 -6.033 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.666 9.755 -7.514 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.369 9.465 -7.808 1.00 0.00 H new ATOM 209 N TYR A 16 0.248 8.008 -4.899 1.00 0.00 N ATOM 210 CA TYR A 16 1.524 7.952 -4.196 1.00 0.00 C ATOM 211 C TYR A 16 2.690 7.981 -5.179 1.00 0.00 C ATOM 212 O TYR A 16 2.538 7.634 -6.351 1.00 0.00 O ATOM 213 CB TYR A 16 1.600 6.690 -3.334 1.00 0.00 C ATOM 214 CG TYR A 16 2.930 6.513 -2.636 1.00 0.00 C ATOM 215 CD1 TYR A 16 3.333 7.389 -1.636 1.00 0.00 C ATOM 216 CD2 TYR A 16 3.782 5.471 -2.977 1.00 0.00 C ATOM 217 CE1 TYR A 16 4.547 7.232 -0.995 1.00 0.00 C ATOM 218 CE2 TYR A 16 4.998 5.305 -2.341 1.00 0.00 C ATOM 219 CZ TYR A 16 5.376 6.188 -1.351 1.00 0.00 C ATOM 220 OH TYR A 16 6.586 6.027 -0.717 1.00 0.00 O ATOM 0 H TYR A 16 -0.069 7.112 -5.269 1.00 0.00 H new ATOM 0 HA TYR A 16 1.594 8.829 -3.552 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.808 6.723 -2.586 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.410 5.819 -3.962 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.686 8.207 -1.355 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.490 4.778 -3.752 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.845 7.922 -0.220 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.649 4.488 -2.618 1.00 0.00 H new ATOM 0 HH TYR A 16 6.676 5.099 -0.414 1.00 0.00 H new ATOM 230 N ASP A 17 3.855 8.396 -4.693 1.00 0.00 N ATOM 231 CA ASP A 17 5.049 8.469 -5.527 1.00 0.00 C ATOM 232 C ASP A 17 6.311 8.467 -4.671 1.00 0.00 C ATOM 233 O ASP A 17 6.662 9.462 -4.037 1.00 0.00 O ATOM 234 CB ASP A 17 5.011 9.725 -6.400 1.00 0.00 C ATOM 235 CG ASP A 17 4.343 9.480 -7.738 1.00 0.00 C ATOM 236 OD1 ASP A 17 5.005 8.922 -8.639 1.00 0.00 O ATOM 237 OD2 ASP A 17 3.158 9.846 -7.885 1.00 0.00 O ATOM 0 H ASP A 17 3.998 8.687 -3.726 1.00 0.00 H new ATOM 0 HA ASP A 17 5.067 7.589 -6.170 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.479 10.516 -5.871 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.028 10.080 -6.565 1.00 0.00 H new ATOM 242 N PRO A 18 7.010 7.322 -4.649 1.00 0.00 N ATOM 243 CA PRO A 18 8.243 7.163 -3.873 1.00 0.00 C ATOM 244 C PRO A 18 9.400 7.972 -4.450 1.00 0.00 C ATOM 245 O PRO A 18 10.499 7.985 -3.895 1.00 0.00 O ATOM 246 CB PRO A 18 8.536 5.664 -3.976 1.00 0.00 C ATOM 247 CG PRO A 18 7.875 5.235 -5.240 1.00 0.00 C ATOM 248 CD PRO A 18 6.650 6.096 -5.380 1.00 0.00 C ATOM 0 HA PRO A 18 8.129 7.520 -2.850 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.608 5.471 -4.005 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.138 5.123 -3.118 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.542 5.364 -6.092 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.607 4.179 -5.202 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.422 6.304 -6.425 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.770 5.616 -4.951 1.00 0.00 H new ATOM 256 N ARG A 19 9.145 8.646 -5.567 1.00 0.00 N ATOM 257 CA ARG A 19 10.165 9.458 -6.219 1.00 0.00 C ATOM 258 C ARG A 19 10.111 10.900 -5.725 1.00 0.00 C ATOM 259 O ARG A 19 11.110 11.618 -5.766 1.00 0.00 O ATOM 260 CB ARG A 19 9.983 9.420 -7.738 1.00 0.00 C ATOM 261 CG ARG A 19 10.203 8.044 -8.344 1.00 0.00 C ATOM 262 CD ARG A 19 10.739 8.139 -9.763 1.00 0.00 C ATOM 263 NE ARG A 19 12.029 8.821 -9.816 1.00 0.00 N ATOM 264 CZ ARG A 19 12.819 8.819 -10.885 1.00 0.00 C ATOM 265 NH1 ARG A 19 12.451 8.174 -11.983 1.00 0.00 N ATOM 266 NH2 ARG A 19 13.978 9.463 -10.856 1.00 0.00 N ATOM 0 H ARG A 19 8.241 8.646 -6.039 1.00 0.00 H new ATOM 0 HA ARG A 19 11.141 9.043 -5.966 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.976 9.759 -7.983 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.677 10.125 -8.196 1.00 0.00 H new ATOM 0 HG2 ARG A 19 10.903 7.481 -7.727 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.263 7.491 -8.345 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.841 7.137 -10.180 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.021 8.672 -10.387 1.00 0.00 H new ATOM 0 HE ARG A 19 12.341 9.327 -8.987 1.00 0.00 H new ATOM 0 HH11 ARG A 19 11.560 7.678 -12.009 1.00 0.00 H new ATOM 0 HH12 ARG A 19 13.059 8.174 -12.802 1.00 0.00 H new ATOM 0 HH21 ARG A 19 14.264 9.961 -10.013 1.00 0.00 H new ATOM 0 HH22 ARG A 19 14.583 9.461 -11.677 1.00 0.00 H new ATOM 280 N GLU A 20 8.938 11.317 -5.259 1.00 0.00 N ATOM 281 CA GLU A 20 8.754 12.674 -4.758 1.00 0.00 C ATOM 282 C GLU A 20 8.477 12.668 -3.258 1.00 0.00 C ATOM 283 O GLU A 20 9.119 13.389 -2.494 1.00 0.00 O ATOM 284 CB GLU A 20 7.604 13.363 -5.497 1.00 0.00 C ATOM 285 CG GLU A 20 7.902 13.642 -6.961 1.00 0.00 C ATOM 286 CD GLU A 20 9.010 14.661 -7.146 1.00 0.00 C ATOM 287 OE1 GLU A 20 8.783 15.849 -6.838 1.00 0.00 O ATOM 288 OE2 GLU A 20 10.106 14.269 -7.600 1.00 0.00 O ATOM 0 H GLU A 20 8.101 10.735 -5.218 1.00 0.00 H new ATOM 0 HA GLU A 20 9.676 13.228 -4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.713 12.738 -5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.373 14.303 -4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.183 12.712 -7.455 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.997 14.002 -7.450 1.00 0.00 H new ATOM 295 N SER A 21 7.517 11.848 -2.843 1.00 0.00 N ATOM 296 CA SER A 21 7.151 11.750 -1.434 1.00 0.00 C ATOM 297 C SER A 21 8.275 11.111 -0.624 1.00 0.00 C ATOM 298 O SER A 21 8.838 11.734 0.276 1.00 0.00 O ATOM 299 CB SER A 21 5.865 10.936 -1.275 1.00 0.00 C ATOM 300 OG SER A 21 5.211 11.250 -0.058 1.00 0.00 O ATOM 0 H SER A 21 6.978 11.242 -3.462 1.00 0.00 H new ATOM 0 HA SER A 21 6.983 12.759 -1.056 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.197 11.137 -2.113 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.099 9.872 -1.302 1.00 0.00 H new ATOM 0 HG SER A 21 4.391 10.718 0.020 1.00 0.00 H new ATOM 306 N SER A 22 8.595 9.863 -0.951 1.00 0.00 N ATOM 307 CA SER A 22 9.649 9.137 -0.252 1.00 0.00 C ATOM 308 C SER A 22 11.014 9.760 -0.529 1.00 0.00 C ATOM 309 O SER A 22 11.298 10.232 -1.630 1.00 0.00 O ATOM 310 CB SER A 22 9.652 7.667 -0.676 1.00 0.00 C ATOM 311 OG SER A 22 10.145 6.838 0.362 1.00 0.00 O ATOM 0 H SER A 22 8.140 9.334 -1.695 1.00 0.00 H new ATOM 0 HA SER A 22 9.451 9.199 0.818 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.640 7.360 -0.942 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.267 7.544 -1.567 1.00 0.00 H new ATOM 0 HG SER A 22 9.926 5.903 0.166 1.00 0.00 H new ATOM 317 N PRO A 23 11.881 9.763 0.495 1.00 0.00 N ATOM 318 CA PRO A 23 13.231 10.324 0.387 1.00 0.00 C ATOM 319 C PRO A 23 14.138 9.485 -0.507 1.00 0.00 C ATOM 320 O PRO A 23 15.353 9.675 -0.526 1.00 0.00 O ATOM 321 CB PRO A 23 13.738 10.305 1.831 1.00 0.00 C ATOM 322 CG PRO A 23 12.963 9.218 2.492 1.00 0.00 C ATOM 323 CD PRO A 23 11.610 9.217 1.835 1.00 0.00 C ATOM 0 HA PRO A 23 13.226 11.316 -0.065 1.00 0.00 H new ATOM 0 HB2 PRO A 23 14.809 10.108 1.872 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.571 11.264 2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.458 8.255 2.368 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.876 9.396 3.564 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.190 8.213 1.782 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.897 9.833 2.383 1.00 0.00 H new ATOM 331 N ASN A 24 13.538 8.557 -1.246 1.00 0.00 N ATOM 332 CA ASN A 24 14.293 7.689 -2.143 1.00 0.00 C ATOM 333 C ASN A 24 15.046 6.619 -1.358 1.00 0.00 C ATOM 334 O ASN A 24 16.223 6.361 -1.611 1.00 0.00 O ATOM 335 CB ASN A 24 15.277 8.514 -2.976 1.00 0.00 C ATOM 336 CG ASN A 24 14.713 9.867 -3.364 1.00 0.00 C ATOM 337 OD1 ASN A 24 14.804 10.831 -2.603 1.00 0.00 O ATOM 338 ND2 ASN A 24 14.127 9.945 -4.553 1.00 0.00 N ATOM 0 H ASN A 24 12.532 8.387 -1.241 1.00 0.00 H new ATOM 0 HA ASN A 24 13.587 7.195 -2.811 1.00 0.00 H new ATOM 0 HB2 ASN A 24 16.198 8.656 -2.410 1.00 0.00 H new ATOM 0 HB3 ASN A 24 15.539 7.960 -3.878 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.729 10.830 -4.869 1.00 0.00 H new ATOM 0 HD22 ASN A 24 14.074 9.120 -5.151 1.00 0.00 H new ATOM 345 N VAL A 25 14.359 6.000 -0.404 1.00 0.00 N ATOM 346 CA VAL A 25 14.961 4.956 0.418 1.00 0.00 C ATOM 347 C VAL A 25 14.573 3.570 -0.083 1.00 0.00 C ATOM 348 O VAL A 25 13.525 3.038 0.282 1.00 0.00 O ATOM 349 CB VAL A 25 14.543 5.092 1.894 1.00 0.00 C ATOM 350 CG1 VAL A 25 15.326 6.208 2.570 1.00 0.00 C ATOM 351 CG2 VAL A 25 13.046 5.339 2.003 1.00 0.00 C ATOM 0 H VAL A 25 13.385 6.203 -0.181 1.00 0.00 H new ATOM 0 HA VAL A 25 16.042 5.077 0.342 1.00 0.00 H new ATOM 0 HB VAL A 25 14.772 4.158 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.017 6.289 3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 25 16.392 5.984 2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 25 15.131 7.151 2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.768 5.433 3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.790 6.258 1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.506 4.503 1.558 1.00 0.00 H new ATOM 361 N ASP A 26 15.425 2.990 -0.921 1.00 0.00 N ATOM 362 CA ASP A 26 15.172 1.663 -1.472 1.00 0.00 C ATOM 363 C ASP A 26 13.812 1.611 -2.161 1.00 0.00 C ATOM 364 O ASP A 26 13.140 0.580 -2.154 1.00 0.00 O ATOM 365 CB ASP A 26 15.239 0.608 -0.367 1.00 0.00 C ATOM 366 CG ASP A 26 16.662 0.195 -0.046 1.00 0.00 C ATOM 367 OD1 ASP A 26 17.507 0.214 -0.965 1.00 0.00 O ATOM 368 OD2 ASP A 26 16.931 -0.147 1.125 1.00 0.00 O ATOM 0 H ASP A 26 16.297 3.417 -1.234 1.00 0.00 H new ATOM 0 HA ASP A 26 15.943 1.451 -2.213 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.765 0.999 0.534 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.669 -0.270 -0.672 1.00 0.00 H new ATOM 373 N VAL A 27 13.412 2.731 -2.755 1.00 0.00 N ATOM 374 CA VAL A 27 12.132 2.813 -3.449 1.00 0.00 C ATOM 375 C VAL A 27 11.998 1.705 -4.488 1.00 0.00 C ATOM 376 O VAL A 27 10.890 1.327 -4.866 1.00 0.00 O ATOM 377 CB VAL A 27 11.957 4.177 -4.143 1.00 0.00 C ATOM 378 CG1 VAL A 27 11.976 5.303 -3.121 1.00 0.00 C ATOM 379 CG2 VAL A 27 13.036 4.382 -5.195 1.00 0.00 C ATOM 0 H VAL A 27 13.956 3.594 -2.770 1.00 0.00 H new ATOM 0 HA VAL A 27 11.354 2.695 -2.694 1.00 0.00 H new ATOM 0 HB VAL A 27 10.988 4.189 -4.643 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.851 6.259 -3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.163 5.162 -2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.928 5.296 -2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.897 5.351 -5.675 1.00 0.00 H new ATOM 0 HG22 VAL A 27 14.017 4.350 -4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.969 3.593 -5.944 1.00 0.00 H new ATOM 389 N GLU A 28 13.135 1.190 -4.945 1.00 0.00 N ATOM 390 CA GLU A 28 13.144 0.125 -5.942 1.00 0.00 C ATOM 391 C GLU A 28 12.150 -0.973 -5.573 1.00 0.00 C ATOM 392 O GLU A 28 11.557 -1.607 -6.446 1.00 0.00 O ATOM 393 CB GLU A 28 14.548 -0.467 -6.075 1.00 0.00 C ATOM 394 CG GLU A 28 15.553 0.484 -6.704 1.00 0.00 C ATOM 395 CD GLU A 28 15.183 0.867 -8.123 1.00 0.00 C ATOM 396 OE1 GLU A 28 14.280 1.713 -8.293 1.00 0.00 O ATOM 397 OE2 GLU A 28 15.797 0.323 -9.064 1.00 0.00 O ATOM 0 H GLU A 28 14.061 1.492 -4.641 1.00 0.00 H new ATOM 0 HA GLU A 28 12.847 0.555 -6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 28 14.905 -0.758 -5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.495 -1.375 -6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.625 1.385 -6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 28 16.539 0.019 -6.702 1.00 0.00 H new ATOM 404 N ALA A 29 11.973 -1.192 -4.274 1.00 0.00 N ATOM 405 CA ALA A 29 11.051 -2.211 -3.790 1.00 0.00 C ATOM 406 C ALA A 29 9.661 -1.628 -3.558 1.00 0.00 C ATOM 407 O ALA A 29 8.656 -2.326 -3.689 1.00 0.00 O ATOM 408 CB ALA A 29 11.583 -2.838 -2.510 1.00 0.00 C ATOM 0 H ALA A 29 12.456 -0.677 -3.538 1.00 0.00 H new ATOM 0 HA ALA A 29 10.969 -2.984 -4.554 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.884 -3.598 -2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.551 -3.298 -2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.695 -2.068 -1.747 1.00 0.00 H new ATOM 414 N GLU A 30 9.613 -0.345 -3.211 1.00 0.00 N ATOM 415 CA GLU A 30 8.345 0.330 -2.959 1.00 0.00 C ATOM 416 C GLU A 30 7.416 0.210 -4.164 1.00 0.00 C ATOM 417 O GLU A 30 7.866 -0.004 -5.290 1.00 0.00 O ATOM 418 CB GLU A 30 8.584 1.805 -2.630 1.00 0.00 C ATOM 419 CG GLU A 30 8.971 2.050 -1.181 1.00 0.00 C ATOM 420 CD GLU A 30 8.531 3.413 -0.683 1.00 0.00 C ATOM 421 OE1 GLU A 30 7.308 3.633 -0.558 1.00 0.00 O ATOM 422 OE2 GLU A 30 9.410 4.260 -0.418 1.00 0.00 O ATOM 0 H GLU A 30 10.436 0.247 -3.098 1.00 0.00 H new ATOM 0 HA GLU A 30 7.869 -0.153 -2.106 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.371 2.190 -3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.680 2.370 -2.856 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.526 1.277 -0.554 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.052 1.961 -1.077 1.00 0.00 H new ATOM 429 N LEU A 31 6.118 0.349 -3.919 1.00 0.00 N ATOM 430 CA LEU A 31 5.124 0.256 -4.982 1.00 0.00 C ATOM 431 C LEU A 31 4.568 1.634 -5.330 1.00 0.00 C ATOM 432 O LEU A 31 4.168 2.395 -4.449 1.00 0.00 O ATOM 433 CB LEU A 31 3.985 -0.674 -4.563 1.00 0.00 C ATOM 434 CG LEU A 31 4.301 -2.170 -4.577 1.00 0.00 C ATOM 435 CD1 LEU A 31 3.168 -2.961 -3.941 1.00 0.00 C ATOM 436 CD2 LEU A 31 4.555 -2.649 -5.999 1.00 0.00 C ATOM 0 H LEU A 31 5.729 0.527 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 31 5.612 -0.153 -5.867 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.670 -0.399 -3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.136 -0.496 -5.223 1.00 0.00 H new ATOM 0 HG LEU A 31 5.206 -2.336 -3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.411 -4.023 -3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.033 -2.638 -2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.247 -2.789 -4.498 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.778 -3.716 -5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.669 -2.469 -6.607 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.400 -2.105 -6.421 1.00 0.00 H new ATOM 448 N THR A 32 4.545 1.948 -6.622 1.00 0.00 N ATOM 449 CA THR A 32 4.038 3.233 -7.087 1.00 0.00 C ATOM 450 C THR A 32 2.617 3.101 -7.625 1.00 0.00 C ATOM 451 O THR A 32 2.413 2.743 -8.785 1.00 0.00 O ATOM 452 CB THR A 32 4.938 3.827 -8.186 1.00 0.00 C ATOM 453 OG1 THR A 32 6.308 3.785 -7.774 1.00 0.00 O ATOM 454 CG2 THR A 32 4.539 5.263 -8.494 1.00 0.00 C ATOM 0 H THR A 32 4.872 1.330 -7.365 1.00 0.00 H new ATOM 0 HA THR A 32 4.037 3.903 -6.227 1.00 0.00 H new ATOM 0 HB THR A 32 4.813 3.230 -9.089 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.873 4.163 -8.479 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.188 5.662 -9.273 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.504 5.288 -8.836 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.638 5.869 -7.594 1.00 0.00 H new ATOM 462 N PHE A 33 1.639 3.393 -6.775 1.00 0.00 N ATOM 463 CA PHE A 33 0.236 3.307 -7.165 1.00 0.00 C ATOM 464 C PHE A 33 -0.351 4.697 -7.394 1.00 0.00 C ATOM 465 O PHE A 33 0.344 5.705 -7.265 1.00 0.00 O ATOM 466 CB PHE A 33 -0.569 2.571 -6.093 1.00 0.00 C ATOM 467 CG PHE A 33 -0.211 2.974 -4.691 1.00 0.00 C ATOM 468 CD1 PHE A 33 0.926 2.469 -4.080 1.00 0.00 C ATOM 469 CD2 PHE A 33 -1.010 3.858 -3.984 1.00 0.00 C ATOM 470 CE1 PHE A 33 1.259 2.838 -2.791 1.00 0.00 C ATOM 471 CE2 PHE A 33 -0.681 4.231 -2.695 1.00 0.00 C ATOM 472 CZ PHE A 33 0.454 3.719 -2.097 1.00 0.00 C ATOM 0 H PHE A 33 1.791 3.691 -5.812 1.00 0.00 H new ATOM 0 HA PHE A 33 0.178 2.749 -8.100 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.631 2.757 -6.256 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.412 1.498 -6.205 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.559 1.779 -4.618 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.900 4.260 -4.446 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.148 2.438 -2.327 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.311 4.923 -2.155 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.711 4.007 -1.088 1.00 0.00 H new ATOM 482 N CYS A 34 -1.634 4.741 -7.735 1.00 0.00 N ATOM 483 CA CYS A 34 -2.316 6.007 -7.984 1.00 0.00 C ATOM 484 C CYS A 34 -3.667 6.044 -7.277 1.00 0.00 C ATOM 485 O CYS A 34 -4.178 5.015 -6.834 1.00 0.00 O ATOM 486 CB CYS A 34 -2.506 6.220 -9.486 1.00 0.00 C ATOM 487 SG CYS A 34 -1.141 7.094 -10.287 1.00 0.00 S ATOM 0 H CYS A 34 -2.223 3.916 -7.845 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.696 6.811 -7.586 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.633 5.250 -9.966 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.427 6.780 -9.649 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.394 7.223 -11.556 1.00 0.00 H new ATOM 493 N THR A 35 -4.241 7.239 -7.173 1.00 0.00 N ATOM 494 CA THR A 35 -5.531 7.412 -6.518 1.00 0.00 C ATOM 495 C THR A 35 -6.545 6.391 -7.021 1.00 0.00 C ATOM 496 O THR A 35 -6.909 6.390 -8.197 1.00 0.00 O ATOM 497 CB THR A 35 -6.091 8.829 -6.744 1.00 0.00 C ATOM 498 OG1 THR A 35 -5.082 9.805 -6.462 1.00 0.00 O ATOM 499 CG2 THR A 35 -7.305 9.079 -5.862 1.00 0.00 C ATOM 0 H THR A 35 -3.832 8.101 -7.534 1.00 0.00 H new ATOM 0 HA THR A 35 -5.366 7.261 -5.451 1.00 0.00 H new ATOM 0 HB THR A 35 -6.396 8.913 -7.787 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.738 10.172 -7.303 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.683 10.086 -6.039 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.083 8.353 -6.099 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.021 8.977 -4.815 1.00 0.00 H new ATOM 507 N GLY A 36 -7.000 5.523 -6.123 1.00 0.00 N ATOM 508 CA GLY A 36 -7.969 4.509 -6.496 1.00 0.00 C ATOM 509 C GLY A 36 -7.347 3.133 -6.628 1.00 0.00 C ATOM 510 O GLY A 36 -7.965 2.128 -6.277 1.00 0.00 O ATOM 0 H GLY A 36 -6.715 5.504 -5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.762 4.476 -5.748 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.434 4.786 -7.442 1.00 0.00 H new ATOM 514 N ASP A 37 -6.121 3.086 -7.137 1.00 0.00 N ATOM 515 CA ASP A 37 -5.414 1.823 -7.316 1.00 0.00 C ATOM 516 C ASP A 37 -5.518 0.961 -6.062 1.00 0.00 C ATOM 517 O ASP A 37 -5.071 1.357 -4.985 1.00 0.00 O ATOM 518 CB ASP A 37 -3.945 2.079 -7.654 1.00 0.00 C ATOM 519 CG ASP A 37 -3.770 2.758 -8.998 1.00 0.00 C ATOM 520 OD1 ASP A 37 -4.206 3.920 -9.137 1.00 0.00 O ATOM 521 OD2 ASP A 37 -3.196 2.128 -9.910 1.00 0.00 O ATOM 0 H ASP A 37 -5.596 3.909 -7.433 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.880 1.288 -8.143 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.499 2.699 -6.876 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.405 1.132 -7.656 1.00 0.00 H new ATOM 526 N ILE A 38 -6.111 -0.219 -6.209 1.00 0.00 N ATOM 527 CA ILE A 38 -6.273 -1.137 -5.088 1.00 0.00 C ATOM 528 C ILE A 38 -4.997 -1.936 -4.843 1.00 0.00 C ATOM 529 O ILE A 38 -4.301 -2.317 -5.784 1.00 0.00 O ATOM 530 CB ILE A 38 -7.439 -2.114 -5.325 1.00 0.00 C ATOM 531 CG1 ILE A 38 -8.719 -1.344 -5.659 1.00 0.00 C ATOM 532 CG2 ILE A 38 -7.649 -2.995 -4.102 1.00 0.00 C ATOM 533 CD1 ILE A 38 -9.218 -0.480 -4.522 1.00 0.00 C ATOM 0 H ILE A 38 -6.487 -0.562 -7.093 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.492 -0.528 -4.211 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.191 -2.754 -6.172 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.538 -0.715 -6.530 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.499 -2.054 -5.935 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.477 -3.680 -4.285 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.742 -3.566 -3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.879 -2.370 -3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.128 0.036 -4.829 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.431 -1.106 -3.656 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.455 0.254 -4.261 1.00 0.00 H new ATOM 545 N ILE A 39 -4.698 -2.186 -3.573 1.00 0.00 N ATOM 546 CA ILE A 39 -3.507 -2.942 -3.204 1.00 0.00 C ATOM 547 C ILE A 39 -3.799 -3.901 -2.054 1.00 0.00 C ATOM 548 O ILE A 39 -4.418 -3.524 -1.058 1.00 0.00 O ATOM 549 CB ILE A 39 -2.351 -2.009 -2.798 1.00 0.00 C ATOM 550 CG1 ILE A 39 -1.947 -1.120 -3.976 1.00 0.00 C ATOM 551 CG2 ILE A 39 -1.162 -2.821 -2.308 1.00 0.00 C ATOM 552 CD1 ILE A 39 -1.299 0.181 -3.557 1.00 0.00 C ATOM 0 H ILE A 39 -5.263 -1.877 -2.782 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.210 -3.513 -4.084 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.689 -1.369 -1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.257 -1.670 -4.616 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.831 -0.900 -4.575 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.353 -2.147 -2.025 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.459 -3.415 -1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.821 -3.483 -3.104 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.039 0.760 -4.443 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.994 0.752 -2.942 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.396 -0.030 -2.984 1.00 0.00 H new ATOM 564 N THR A 40 -3.348 -5.143 -2.198 1.00 0.00 N ATOM 565 CA THR A 40 -3.560 -6.157 -1.172 1.00 0.00 C ATOM 566 C THR A 40 -2.389 -6.206 -0.198 1.00 0.00 C ATOM 567 O THR A 40 -1.323 -6.732 -0.518 1.00 0.00 O ATOM 568 CB THR A 40 -3.755 -7.552 -1.794 1.00 0.00 C ATOM 569 OG1 THR A 40 -4.833 -7.523 -2.736 1.00 0.00 O ATOM 570 CG2 THR A 40 -4.044 -8.588 -0.718 1.00 0.00 C ATOM 0 H THR A 40 -2.833 -5.471 -3.015 1.00 0.00 H new ATOM 0 HA THR A 40 -4.465 -5.878 -0.633 1.00 0.00 H new ATOM 0 HB THR A 40 -2.833 -7.829 -2.306 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.949 -8.414 -3.128 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.178 -9.566 -1.181 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.209 -8.629 -0.019 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.952 -8.313 -0.182 1.00 0.00 H new ATOM 578 N VAL A 41 -2.593 -5.654 0.994 1.00 0.00 N ATOM 579 CA VAL A 41 -1.554 -5.637 2.017 1.00 0.00 C ATOM 580 C VAL A 41 -1.605 -6.897 2.874 1.00 0.00 C ATOM 581 O VAL A 41 -2.680 -7.435 3.141 1.00 0.00 O ATOM 582 CB VAL A 41 -1.685 -4.403 2.929 1.00 0.00 C ATOM 583 CG1 VAL A 41 -1.535 -3.123 2.122 1.00 0.00 C ATOM 584 CG2 VAL A 41 -3.016 -4.425 3.666 1.00 0.00 C ATOM 0 H VAL A 41 -3.469 -5.213 1.275 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.598 -5.595 1.496 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.885 -4.433 3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.631 -2.262 2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.555 -3.107 1.645 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.312 -3.081 1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.092 -3.546 4.306 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.832 -4.420 2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.079 -5.325 4.277 1.00 0.00 H new ATOM 594 N PHE A 42 -0.437 -7.362 3.302 1.00 0.00 N ATOM 595 CA PHE A 42 -0.347 -8.560 4.129 1.00 0.00 C ATOM 596 C PHE A 42 0.344 -8.255 5.455 1.00 0.00 C ATOM 597 O PHE A 42 1.473 -7.769 5.481 1.00 0.00 O ATOM 598 CB PHE A 42 0.411 -9.662 3.387 1.00 0.00 C ATOM 599 CG PHE A 42 -0.118 -9.929 2.007 1.00 0.00 C ATOM 600 CD1 PHE A 42 -1.260 -10.692 1.824 1.00 0.00 C ATOM 601 CD2 PHE A 42 0.526 -9.417 0.893 1.00 0.00 C ATOM 602 CE1 PHE A 42 -1.749 -10.940 0.556 1.00 0.00 C ATOM 603 CE2 PHE A 42 0.042 -9.661 -0.379 1.00 0.00 C ATOM 604 CZ PHE A 42 -1.097 -10.423 -0.547 1.00 0.00 C ATOM 0 H PHE A 42 0.461 -6.928 3.090 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.360 -8.904 4.338 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.463 -9.384 3.317 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.362 -10.581 3.970 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.774 -11.098 2.683 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.417 -8.820 1.019 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.640 -11.537 0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.554 -9.256 -1.240 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.478 -10.615 -1.539 1.00 0.00 H new ATOM 614 N GLY A 43 -0.345 -8.545 6.555 1.00 0.00 N ATOM 615 CA GLY A 43 0.218 -8.295 7.869 1.00 0.00 C ATOM 616 C GLY A 43 0.024 -6.861 8.320 1.00 0.00 C ATOM 617 O GLY A 43 -0.553 -6.049 7.596 1.00 0.00 O ATOM 0 H GLY A 43 -1.282 -8.948 6.559 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.245 -8.966 8.593 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.283 -8.527 7.855 1.00 0.00 H new ATOM 621 N GLU A 44 0.505 -6.548 9.519 1.00 0.00 N ATOM 622 CA GLU A 44 0.379 -5.202 10.065 1.00 0.00 C ATOM 623 C GLU A 44 1.531 -4.316 9.599 1.00 0.00 C ATOM 624 O GLU A 44 2.483 -4.792 8.979 1.00 0.00 O ATOM 625 CB GLU A 44 0.343 -5.249 11.594 1.00 0.00 C ATOM 626 CG GLU A 44 1.681 -5.601 12.223 1.00 0.00 C ATOM 627 CD GLU A 44 1.581 -5.822 13.720 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.375 -4.833 14.454 1.00 0.00 O ATOM 629 OE2 GLU A 44 1.709 -6.985 14.158 1.00 0.00 O ATOM 0 H GLU A 44 0.985 -7.208 10.131 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.555 -4.775 9.700 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.017 -4.280 11.971 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.401 -5.980 11.909 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.074 -6.502 11.752 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.394 -4.800 12.024 1.00 0.00 H new ATOM 636 N ILE A 45 1.436 -3.025 9.901 1.00 0.00 N ATOM 637 CA ILE A 45 2.469 -2.073 9.514 1.00 0.00 C ATOM 638 C ILE A 45 3.833 -2.493 10.052 1.00 0.00 C ATOM 639 O ILE A 45 3.930 -3.122 11.106 1.00 0.00 O ATOM 640 CB ILE A 45 2.145 -0.654 10.019 1.00 0.00 C ATOM 641 CG1 ILE A 45 0.804 -0.182 9.454 1.00 0.00 C ATOM 642 CG2 ILE A 45 3.257 0.311 9.637 1.00 0.00 C ATOM 643 CD1 ILE A 45 0.245 1.033 10.161 1.00 0.00 C ATOM 0 H ILE A 45 0.654 -2.615 10.412 1.00 0.00 H new ATOM 0 HA ILE A 45 2.498 -2.064 8.424 1.00 0.00 H new ATOM 0 HB ILE A 45 2.071 -0.679 11.106 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.925 0.047 8.395 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.083 -0.996 9.523 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.013 1.309 10.001 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.195 -0.019 10.084 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.361 0.335 8.552 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.706 1.312 9.708 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.091 0.802 11.215 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.947 1.862 10.070 1.00 0.00 H new ATOM 655 N ASP A 46 4.885 -2.139 9.321 1.00 0.00 N ATOM 656 CA ASP A 46 6.245 -2.476 9.726 1.00 0.00 C ATOM 657 C ASP A 46 6.748 -1.514 10.797 1.00 0.00 C ATOM 658 O ASP A 46 6.047 -0.579 11.182 1.00 0.00 O ATOM 659 CB ASP A 46 7.181 -2.448 8.517 1.00 0.00 C ATOM 660 CG ASP A 46 6.792 -3.462 7.459 1.00 0.00 C ATOM 661 OD1 ASP A 46 5.592 -3.538 7.123 1.00 0.00 O ATOM 662 OD2 ASP A 46 7.688 -4.179 6.967 1.00 0.00 O ATOM 0 H ASP A 46 4.822 -1.619 8.446 1.00 0.00 H new ATOM 0 HA ASP A 46 6.234 -3.482 10.144 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.174 -1.450 8.079 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.201 -2.645 8.847 1.00 0.00 H new ATOM 667 N GLU A 47 7.966 -1.751 11.274 1.00 0.00 N ATOM 668 CA GLU A 47 8.561 -0.905 12.303 1.00 0.00 C ATOM 669 C GLU A 47 8.598 0.552 11.854 1.00 0.00 C ATOM 670 O GLU A 47 8.300 1.460 12.630 1.00 0.00 O ATOM 671 CB GLU A 47 9.975 -1.386 12.634 1.00 0.00 C ATOM 672 CG GLU A 47 10.013 -2.737 13.327 1.00 0.00 C ATOM 673 CD GLU A 47 9.543 -3.866 12.430 1.00 0.00 C ATOM 674 OE1 GLU A 47 9.819 -3.812 11.213 1.00 0.00 O ATOM 675 OE2 GLU A 47 8.899 -4.804 12.946 1.00 0.00 O ATOM 0 H GLU A 47 8.560 -2.521 10.965 1.00 0.00 H new ATOM 0 HA GLU A 47 7.943 -0.975 13.198 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.555 -1.444 11.713 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.461 -0.647 13.271 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.030 -2.942 13.660 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.387 -2.702 14.219 1.00 0.00 H new ATOM 682 N ASP A 48 8.968 0.768 10.596 1.00 0.00 N ATOM 683 CA ASP A 48 9.044 2.115 10.042 1.00 0.00 C ATOM 684 C ASP A 48 7.662 2.756 9.978 1.00 0.00 C ATOM 685 O ASP A 48 7.412 3.781 10.611 1.00 0.00 O ATOM 686 CB ASP A 48 9.669 2.081 8.646 1.00 0.00 C ATOM 687 CG ASP A 48 11.183 1.999 8.692 1.00 0.00 C ATOM 688 OD1 ASP A 48 11.713 0.872 8.782 1.00 0.00 O ATOM 689 OD2 ASP A 48 11.837 3.061 8.638 1.00 0.00 O ATOM 0 H ASP A 48 9.220 0.028 9.941 1.00 0.00 H new ATOM 0 HA ASP A 48 9.673 2.716 10.699 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.278 1.225 8.097 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.373 2.974 8.096 1.00 0.00 H new ATOM 694 N GLY A 49 6.766 2.145 9.208 1.00 0.00 N ATOM 695 CA GLY A 49 5.420 2.671 9.074 1.00 0.00 C ATOM 696 C GLY A 49 4.843 2.441 7.692 1.00 0.00 C ATOM 697 O GLY A 49 4.084 3.266 7.183 1.00 0.00 O ATOM 0 H GLY A 49 6.949 1.295 8.675 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.774 2.202 9.817 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.428 3.740 9.288 1.00 0.00 H new ATOM 701 N PHE A 50 5.204 1.318 7.081 1.00 0.00 N ATOM 702 CA PHE A 50 4.718 0.983 5.747 1.00 0.00 C ATOM 703 C PHE A 50 4.085 -0.405 5.731 1.00 0.00 C ATOM 704 O PHE A 50 4.233 -1.178 6.678 1.00 0.00 O ATOM 705 CB PHE A 50 5.863 1.046 4.734 1.00 0.00 C ATOM 706 CG PHE A 50 6.431 2.424 4.555 1.00 0.00 C ATOM 707 CD1 PHE A 50 7.235 2.989 5.533 1.00 0.00 C ATOM 708 CD2 PHE A 50 6.162 3.156 3.410 1.00 0.00 C ATOM 709 CE1 PHE A 50 7.759 4.257 5.372 1.00 0.00 C ATOM 710 CE2 PHE A 50 6.684 4.425 3.243 1.00 0.00 C ATOM 711 CZ PHE A 50 7.483 4.977 4.226 1.00 0.00 C ATOM 0 H PHE A 50 5.831 0.624 7.488 1.00 0.00 H new ATOM 0 HA PHE A 50 3.957 1.713 5.471 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.658 0.373 5.055 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.506 0.681 3.771 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.454 2.431 6.431 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.537 2.730 2.639 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.384 4.685 6.142 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.468 4.985 2.345 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.891 5.969 4.099 1.00 0.00 H new ATOM 721 N TYR A 51 3.379 -0.714 4.649 1.00 0.00 N ATOM 722 CA TYR A 51 2.720 -2.007 4.510 1.00 0.00 C ATOM 723 C TYR A 51 3.391 -2.847 3.427 1.00 0.00 C ATOM 724 O TYR A 51 4.250 -2.360 2.692 1.00 0.00 O ATOM 725 CB TYR A 51 1.239 -1.816 4.178 1.00 0.00 C ATOM 726 CG TYR A 51 0.350 -1.736 5.399 1.00 0.00 C ATOM 727 CD1 TYR A 51 0.491 -2.640 6.445 1.00 0.00 C ATOM 728 CD2 TYR A 51 -0.630 -0.757 5.506 1.00 0.00 C ATOM 729 CE1 TYR A 51 -0.319 -2.572 7.562 1.00 0.00 C ATOM 730 CE2 TYR A 51 -1.444 -0.681 6.620 1.00 0.00 C ATOM 731 CZ TYR A 51 -1.285 -1.590 7.645 1.00 0.00 C ATOM 732 OH TYR A 51 -2.094 -1.518 8.756 1.00 0.00 O ATOM 0 H TYR A 51 3.248 -0.087 3.855 1.00 0.00 H new ATOM 0 HA TYR A 51 2.807 -2.534 5.460 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.121 -0.904 3.593 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.906 -2.643 3.550 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.247 -3.409 6.384 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.758 -0.044 4.705 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.197 -3.283 8.366 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.201 0.086 6.688 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.720 -0.770 8.657 1.00 0.00 H new ATOM 742 N TYR A 52 2.991 -4.110 3.335 1.00 0.00 N ATOM 743 CA TYR A 52 3.554 -5.019 2.344 1.00 0.00 C ATOM 744 C TYR A 52 2.450 -5.740 1.577 1.00 0.00 C ATOM 745 O TYR A 52 1.877 -6.716 2.061 1.00 0.00 O ATOM 746 CB TYR A 52 4.471 -6.040 3.020 1.00 0.00 C ATOM 747 CG TYR A 52 5.612 -6.503 2.144 1.00 0.00 C ATOM 748 CD1 TYR A 52 5.380 -6.973 0.857 1.00 0.00 C ATOM 749 CD2 TYR A 52 6.924 -6.468 2.602 1.00 0.00 C ATOM 750 CE1 TYR A 52 6.421 -7.398 0.053 1.00 0.00 C ATOM 751 CE2 TYR A 52 7.970 -6.889 1.805 1.00 0.00 C ATOM 752 CZ TYR A 52 7.714 -7.353 0.531 1.00 0.00 C ATOM 753 OH TYR A 52 8.753 -7.774 -0.267 1.00 0.00 O ATOM 0 H TYR A 52 2.279 -4.528 3.934 1.00 0.00 H new ATOM 0 HA TYR A 52 4.137 -4.429 1.637 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.878 -5.602 3.931 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.879 -6.905 3.319 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.369 -7.007 0.478 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.129 -6.105 3.598 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.223 -7.763 -0.944 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.983 -6.855 2.177 1.00 0.00 H new ATOM 0 HH TYR A 52 9.599 -7.677 0.219 1.00 0.00 H new ATOM 763 N GLY A 53 2.156 -5.251 0.376 1.00 0.00 N ATOM 764 CA GLY A 53 1.122 -5.860 -0.440 1.00 0.00 C ATOM 765 C GLY A 53 1.578 -6.107 -1.864 1.00 0.00 C ATOM 766 O GLY A 53 2.750 -5.919 -2.188 1.00 0.00 O ATOM 0 H GLY A 53 2.615 -4.444 -0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.818 -6.805 0.010 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.244 -5.214 -0.450 1.00 0.00 H new ATOM 770 N GLU A 54 0.649 -6.530 -2.716 1.00 0.00 N ATOM 771 CA GLU A 54 0.964 -6.806 -4.113 1.00 0.00 C ATOM 772 C GLU A 54 0.095 -5.964 -5.043 1.00 0.00 C ATOM 773 O GLU A 54 -1.089 -5.750 -4.780 1.00 0.00 O ATOM 774 CB GLU A 54 0.768 -8.292 -4.420 1.00 0.00 C ATOM 775 CG GLU A 54 1.609 -8.789 -5.584 1.00 0.00 C ATOM 776 CD GLU A 54 0.982 -9.975 -6.291 1.00 0.00 C ATOM 777 OE1 GLU A 54 0.956 -11.074 -5.697 1.00 0.00 O ATOM 778 OE2 GLU A 54 0.519 -9.806 -7.438 1.00 0.00 O ATOM 0 H GLU A 54 -0.326 -6.689 -2.464 1.00 0.00 H new ATOM 0 HA GLU A 54 2.008 -6.543 -4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.013 -8.873 -3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.284 -8.473 -4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.750 -7.978 -6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.598 -9.069 -5.220 1.00 0.00 H new ATOM 785 N LEU A 55 0.690 -5.489 -6.131 1.00 0.00 N ATOM 786 CA LEU A 55 -0.028 -4.670 -7.101 1.00 0.00 C ATOM 787 C LEU A 55 0.453 -4.957 -8.520 1.00 0.00 C ATOM 788 O LEU A 55 1.655 -5.004 -8.780 1.00 0.00 O ATOM 789 CB LEU A 55 0.153 -3.186 -6.779 1.00 0.00 C ATOM 790 CG LEU A 55 -0.262 -2.205 -7.876 1.00 0.00 C ATOM 791 CD1 LEU A 55 -1.758 -2.297 -8.136 1.00 0.00 C ATOM 792 CD2 LEU A 55 0.129 -0.784 -7.498 1.00 0.00 C ATOM 0 H LEU A 55 1.669 -5.657 -6.364 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.087 -4.922 -7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.419 -2.958 -5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.203 -3.012 -6.542 1.00 0.00 H new ATOM 0 HG LEU A 55 0.263 -2.473 -8.793 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.035 -1.592 -8.920 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.011 -3.309 -8.453 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.302 -2.056 -7.222 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.174 -0.100 -8.291 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.367 -0.505 -6.568 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.209 -0.727 -7.364 1.00 0.00 H new ATOM 804 N ASN A 56 -0.493 -5.147 -9.434 1.00 0.00 N ATOM 805 CA ASN A 56 -0.165 -5.428 -10.826 1.00 0.00 C ATOM 806 C ASN A 56 0.923 -6.493 -10.925 1.00 0.00 C ATOM 807 O ASN A 56 1.813 -6.409 -11.771 1.00 0.00 O ATOM 808 CB ASN A 56 0.292 -4.150 -11.532 1.00 0.00 C ATOM 809 CG ASN A 56 -0.751 -3.050 -11.468 1.00 0.00 C ATOM 810 OD1 ASN A 56 -1.936 -3.289 -11.698 1.00 0.00 O ATOM 811 ND2 ASN A 56 -0.312 -1.837 -11.153 1.00 0.00 N ATOM 0 H ASN A 56 -1.493 -5.111 -9.235 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.063 -5.805 -11.315 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.217 -3.797 -11.076 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.516 -4.374 -12.575 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.967 -1.057 -11.094 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.680 -1.685 -10.970 1.00 0.00 H new ATOM 818 N GLY A 57 0.845 -7.494 -10.054 1.00 0.00 N ATOM 819 CA GLY A 57 1.828 -8.562 -10.060 1.00 0.00 C ATOM 820 C GLY A 57 3.190 -8.097 -9.584 1.00 0.00 C ATOM 821 O GLY A 57 4.217 -8.537 -10.100 1.00 0.00 O ATOM 0 H GLY A 57 0.118 -7.585 -9.344 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.481 -9.375 -9.422 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.917 -8.965 -11.069 1.00 0.00 H new ATOM 825 N GLN A 58 3.199 -7.206 -8.598 1.00 0.00 N ATOM 826 CA GLN A 58 4.446 -6.680 -8.055 1.00 0.00 C ATOM 827 C GLN A 58 4.370 -6.560 -6.536 1.00 0.00 C ATOM 828 O GLN A 58 3.498 -5.877 -5.999 1.00 0.00 O ATOM 829 CB GLN A 58 4.760 -5.316 -8.671 1.00 0.00 C ATOM 830 CG GLN A 58 5.340 -5.401 -10.073 1.00 0.00 C ATOM 831 CD GLN A 58 6.091 -4.146 -10.472 1.00 0.00 C ATOM 832 OE1 GLN A 58 6.342 -3.270 -9.643 1.00 0.00 O ATOM 833 NE2 GLN A 58 6.454 -4.052 -11.745 1.00 0.00 N ATOM 0 H GLN A 58 2.357 -6.833 -8.159 1.00 0.00 H new ATOM 0 HA GLN A 58 5.245 -7.377 -8.307 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.847 -4.721 -8.700 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.464 -4.789 -8.027 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.013 -6.257 -10.132 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.534 -5.579 -10.785 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.225 -4.802 -12.397 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.962 -3.230 -12.071 1.00 0.00 H new ATOM 842 N LYS A 59 5.289 -7.230 -5.848 1.00 0.00 N ATOM 843 CA LYS A 59 5.328 -7.199 -4.391 1.00 0.00 C ATOM 844 C LYS A 59 6.303 -6.136 -3.896 1.00 0.00 C ATOM 845 O LYS A 59 7.465 -6.110 -4.299 1.00 0.00 O ATOM 846 CB LYS A 59 5.728 -8.570 -3.842 1.00 0.00 C ATOM 847 CG LYS A 59 4.695 -9.653 -4.098 1.00 0.00 C ATOM 848 CD LYS A 59 5.186 -11.013 -3.632 1.00 0.00 C ATOM 849 CE LYS A 59 4.047 -12.018 -3.546 1.00 0.00 C ATOM 850 NZ LYS A 59 4.517 -13.349 -3.072 1.00 0.00 N ATOM 0 H LYS A 59 6.017 -7.801 -6.277 1.00 0.00 H new ATOM 0 HA LYS A 59 4.331 -6.948 -4.030 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.675 -8.870 -4.291 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.896 -8.487 -2.768 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.769 -9.403 -3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.465 -9.693 -5.163 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.947 -11.382 -4.320 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.660 -10.915 -2.656 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.280 -11.641 -2.869 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.582 -12.125 -4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.712 -14.006 -3.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.230 -13.720 -3.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.938 -13.252 -2.126 1.00 0.00 H new ATOM 864 N GLY A 60 5.823 -5.261 -3.018 1.00 0.00 N ATOM 865 CA GLY A 60 6.666 -4.209 -2.481 1.00 0.00 C ATOM 866 C GLY A 60 6.099 -3.601 -1.213 1.00 0.00 C ATOM 867 O GLY A 60 5.419 -4.278 -0.441 1.00 0.00 O ATOM 0 H GLY A 60 4.865 -5.262 -2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.658 -4.612 -2.275 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.789 -3.428 -3.231 1.00 0.00 H new ATOM 871 N LEU A 61 6.379 -2.321 -0.997 1.00 0.00 N ATOM 872 CA LEU A 61 5.893 -1.621 0.188 1.00 0.00 C ATOM 873 C LEU A 61 4.878 -0.548 -0.192 1.00 0.00 C ATOM 874 O LEU A 61 4.939 0.022 -1.282 1.00 0.00 O ATOM 875 CB LEU A 61 7.062 -0.988 0.946 1.00 0.00 C ATOM 876 CG LEU A 61 7.978 -1.956 1.695 1.00 0.00 C ATOM 877 CD1 LEU A 61 9.249 -1.250 2.142 1.00 0.00 C ATOM 878 CD2 LEU A 61 7.254 -2.560 2.889 1.00 0.00 C ATOM 0 H LEU A 61 6.940 -1.746 -1.626 1.00 0.00 H new ATOM 0 HA LEU A 61 5.401 -2.349 0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.666 -0.423 0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.659 -0.272 1.663 1.00 0.00 H new ATOM 0 HG LEU A 61 8.254 -2.763 1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.889 -1.954 2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.778 -0.866 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.992 -0.423 2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.921 -3.246 3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.948 -1.765 3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.373 -3.102 2.544 1.00 0.00 H new ATOM 890 N VAL A 62 3.946 -0.275 0.715 1.00 0.00 N ATOM 891 CA VAL A 62 2.919 0.732 0.477 1.00 0.00 C ATOM 892 C VAL A 62 2.587 1.492 1.757 1.00 0.00 C ATOM 893 O VAL A 62 2.281 0.905 2.795 1.00 0.00 O ATOM 894 CB VAL A 62 1.630 0.099 -0.080 1.00 0.00 C ATOM 895 CG1 VAL A 62 1.802 -0.259 -1.548 1.00 0.00 C ATOM 896 CG2 VAL A 62 1.244 -1.127 0.735 1.00 0.00 C ATOM 0 H VAL A 62 3.881 -0.737 1.622 1.00 0.00 H new ATOM 0 HA VAL A 62 3.322 1.426 -0.260 1.00 0.00 H new ATOM 0 HB VAL A 62 0.824 0.828 -0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.881 -0.705 -1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.028 0.642 -2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.620 -0.971 -1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.331 -1.562 0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.048 -1.862 0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.076 -0.836 1.772 1.00 0.00 H new ATOM 906 N PRO A 63 2.648 2.830 1.683 1.00 0.00 N ATOM 907 CA PRO A 63 2.356 3.699 2.827 1.00 0.00 C ATOM 908 C PRO A 63 0.878 3.689 3.200 1.00 0.00 C ATOM 909 O PRO A 63 0.029 4.130 2.425 1.00 0.00 O ATOM 910 CB PRO A 63 2.773 5.087 2.333 1.00 0.00 C ATOM 911 CG PRO A 63 2.657 5.011 0.849 1.00 0.00 C ATOM 912 CD PRO A 63 3.006 3.596 0.478 1.00 0.00 C ATOM 0 HA PRO A 63 2.879 3.377 3.728 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.126 5.864 2.742 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.791 5.327 2.639 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.648 5.262 0.523 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.333 5.718 0.368 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.445 3.259 -0.394 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.064 3.493 0.236 1.00 0.00 H new ATOM 920 N SER A 64 0.576 3.184 4.392 1.00 0.00 N ATOM 921 CA SER A 64 -0.800 3.114 4.867 1.00 0.00 C ATOM 922 C SER A 64 -1.480 4.476 4.766 1.00 0.00 C ATOM 923 O SER A 64 -2.680 4.566 4.512 1.00 0.00 O ATOM 924 CB SER A 64 -0.839 2.619 6.314 1.00 0.00 C ATOM 925 OG SER A 64 -2.128 2.789 6.878 1.00 0.00 O ATOM 0 H SER A 64 1.267 2.817 5.047 1.00 0.00 H new ATOM 0 HA SER A 64 -1.340 2.409 4.235 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.560 1.566 6.349 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.105 3.163 6.908 1.00 0.00 H new ATOM 0 HG SER A 64 -2.126 2.463 7.802 1.00 0.00 H new ATOM 931 N ASN A 65 -0.702 5.535 4.968 1.00 0.00 N ATOM 932 CA ASN A 65 -1.228 6.894 4.900 1.00 0.00 C ATOM 933 C ASN A 65 -1.876 7.160 3.545 1.00 0.00 C ATOM 934 O ASN A 65 -2.723 8.043 3.412 1.00 0.00 O ATOM 935 CB ASN A 65 -0.111 7.908 5.152 1.00 0.00 C ATOM 936 CG ASN A 65 0.083 8.200 6.628 1.00 0.00 C ATOM 937 OD1 ASN A 65 -0.583 7.613 7.481 1.00 0.00 O ATOM 938 ND2 ASN A 65 0.999 9.111 6.935 1.00 0.00 N ATOM 0 H ASN A 65 0.294 5.478 5.180 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.989 7.002 5.673 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.821 7.529 4.734 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.341 8.836 4.628 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.174 9.349 7.911 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.528 9.572 6.195 1.00 0.00 H new ATOM 945 N PHE A 66 -1.471 6.389 2.541 1.00 0.00 N ATOM 946 CA PHE A 66 -2.011 6.542 1.194 1.00 0.00 C ATOM 947 C PHE A 66 -2.941 5.383 0.848 1.00 0.00 C ATOM 948 O PHE A 66 -3.082 5.013 -0.319 1.00 0.00 O ATOM 949 CB PHE A 66 -0.875 6.622 0.172 1.00 0.00 C ATOM 950 CG PHE A 66 0.020 7.813 0.363 1.00 0.00 C ATOM 951 CD1 PHE A 66 0.775 7.951 1.517 1.00 0.00 C ATOM 952 CD2 PHE A 66 0.105 8.795 -0.611 1.00 0.00 C ATOM 953 CE1 PHE A 66 1.600 9.046 1.695 1.00 0.00 C ATOM 954 CE2 PHE A 66 0.929 9.892 -0.438 1.00 0.00 C ATOM 955 CZ PHE A 66 1.676 10.018 0.717 1.00 0.00 C ATOM 0 H PHE A 66 -0.771 5.653 2.634 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.585 7.468 1.162 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.276 5.714 0.235 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.301 6.655 -0.831 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.718 7.195 2.286 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.479 8.703 -1.515 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.185 9.141 2.598 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.988 10.650 -1.205 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.318 10.875 0.855 1.00 0.00 H new ATOM 965 N LEU A 67 -3.573 4.814 1.868 1.00 0.00 N ATOM 966 CA LEU A 67 -4.490 3.696 1.673 1.00 0.00 C ATOM 967 C LEU A 67 -5.662 3.777 2.647 1.00 0.00 C ATOM 968 O LEU A 67 -5.619 4.524 3.623 1.00 0.00 O ATOM 969 CB LEU A 67 -3.753 2.368 1.853 1.00 0.00 C ATOM 970 CG LEU A 67 -2.344 2.298 1.263 1.00 0.00 C ATOM 971 CD1 LEU A 67 -1.631 1.038 1.732 1.00 0.00 C ATOM 972 CD2 LEU A 67 -2.398 2.348 -0.256 1.00 0.00 C ATOM 0 H LEU A 67 -3.468 5.108 2.839 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.881 3.752 0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.690 2.152 2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.354 1.578 1.403 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.781 3.162 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.630 1.005 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.559 1.044 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.193 0.161 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.386 2.297 -0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.979 1.504 -0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.868 3.279 -0.573 1.00 0.00 H new ATOM 984 N GLU A 68 -6.705 2.999 2.374 1.00 0.00 N ATOM 985 CA GLU A 68 -7.887 2.982 3.228 1.00 0.00 C ATOM 986 C GLU A 68 -8.664 1.680 3.056 1.00 0.00 C ATOM 987 O GLU A 68 -9.146 1.372 1.967 1.00 0.00 O ATOM 988 CB GLU A 68 -8.792 4.174 2.908 1.00 0.00 C ATOM 989 CG GLU A 68 -10.076 4.199 3.721 1.00 0.00 C ATOM 990 CD GLU A 68 -11.101 5.167 3.163 1.00 0.00 C ATOM 991 OE1 GLU A 68 -10.945 6.387 3.379 1.00 0.00 O ATOM 992 OE2 GLU A 68 -12.058 4.704 2.508 1.00 0.00 O ATOM 0 H GLU A 68 -6.755 2.374 1.570 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.556 3.054 4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.240 5.097 3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.044 4.154 1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.505 3.197 3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.845 4.474 4.750 1.00 0.00 H new ATOM 999 N GLU A 69 -8.779 0.919 4.140 1.00 0.00 N ATOM 1000 CA GLU A 69 -9.495 -0.351 4.109 1.00 0.00 C ATOM 1001 C GLU A 69 -10.817 -0.212 3.359 1.00 0.00 C ATOM 1002 O GLU A 69 -11.781 0.352 3.877 1.00 0.00 O ATOM 1003 CB GLU A 69 -9.754 -0.851 5.532 1.00 0.00 C ATOM 1004 CG GLU A 69 -10.056 -2.338 5.609 1.00 0.00 C ATOM 1005 CD GLU A 69 -10.185 -2.835 7.036 1.00 0.00 C ATOM 1006 OE1 GLU A 69 -11.266 -2.649 7.633 1.00 0.00 O ATOM 1007 OE2 GLU A 69 -9.205 -3.408 7.555 1.00 0.00 O ATOM 0 H GLU A 69 -8.386 1.160 5.050 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.873 -1.076 3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.882 -0.634 6.149 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.591 -0.296 5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.981 -2.545 5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.264 -2.892 5.106 1.00 0.00 H new ATOM 1014 N VAL A 70 -10.853 -0.729 2.135 1.00 0.00 N ATOM 1015 CA VAL A 70 -12.055 -0.663 1.313 1.00 0.00 C ATOM 1016 C VAL A 70 -13.285 -1.098 2.102 1.00 0.00 C ATOM 1017 O VAL A 70 -13.266 -2.120 2.787 1.00 0.00 O ATOM 1018 CB VAL A 70 -11.926 -1.546 0.057 1.00 0.00 C ATOM 1019 CG1 VAL A 70 -13.222 -1.538 -0.737 1.00 0.00 C ATOM 1020 CG2 VAL A 70 -10.760 -1.081 -0.803 1.00 0.00 C ATOM 0 H VAL A 70 -10.064 -1.198 1.691 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.172 0.377 1.007 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.729 -2.570 0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.111 -2.167 -1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.031 -1.923 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -13.454 -0.518 -1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.683 -1.716 -1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.924 -0.049 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.836 -1.145 -0.229 1.00 0.00 H new ATOM 1030 N SER A 71 -14.354 -0.315 2.000 1.00 0.00 N ATOM 1031 CA SER A 71 -15.593 -0.617 2.707 1.00 0.00 C ATOM 1032 C SER A 71 -16.790 -0.534 1.765 1.00 0.00 C ATOM 1033 O SER A 71 -16.717 0.081 0.702 1.00 0.00 O ATOM 1034 CB SER A 71 -15.785 0.347 3.879 1.00 0.00 C ATOM 1035 OG SER A 71 -14.762 0.183 4.847 1.00 0.00 O ATOM 0 H SER A 71 -14.387 0.533 1.435 1.00 0.00 H new ATOM 0 HA SER A 71 -15.524 -1.635 3.091 1.00 0.00 H new ATOM 0 HB2 SER A 71 -15.783 1.374 3.513 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.757 0.175 4.340 1.00 0.00 H new ATOM 0 HG SER A 71 -13.887 0.304 4.422 1.00 0.00 H new ATOM 1041 N GLY A 72 -17.894 -1.160 2.164 1.00 0.00 N ATOM 1042 CA GLY A 72 -19.092 -1.146 1.344 1.00 0.00 C ATOM 1043 C GLY A 72 -20.145 -2.116 1.841 1.00 0.00 C ATOM 1044 O GLY A 72 -19.838 -3.205 2.325 1.00 0.00 O ATOM 0 H GLY A 72 -17.980 -1.676 3.040 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -19.508 -0.138 1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -18.828 -1.396 0.316 1.00 0.00 H new ATOM 1048 N PRO A 73 -21.422 -1.720 1.725 1.00 0.00 N ATOM 1049 CA PRO A 73 -22.550 -2.547 2.162 1.00 0.00 C ATOM 1050 C PRO A 73 -22.748 -3.772 1.276 1.00 0.00 C ATOM 1051 O PRO A 73 -23.238 -4.806 1.731 1.00 0.00 O ATOM 1052 CB PRO A 73 -23.749 -1.603 2.044 1.00 0.00 C ATOM 1053 CG PRO A 73 -23.347 -0.608 1.010 1.00 0.00 C ATOM 1054 CD PRO A 73 -21.861 -0.433 1.158 1.00 0.00 C ATOM 0 HA PRO A 73 -22.399 -2.944 3.166 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -24.649 -2.141 1.747 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -23.967 -1.119 2.996 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -23.601 -0.960 0.010 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -23.868 0.338 1.156 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -21.382 -0.232 0.200 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -21.618 0.401 1.817 1.00 0.00 H new ATOM 1062 N SER A 74 -22.363 -3.650 0.010 1.00 0.00 N ATOM 1063 CA SER A 74 -22.501 -4.747 -0.940 1.00 0.00 C ATOM 1064 C SER A 74 -21.136 -5.197 -1.452 1.00 0.00 C ATOM 1065 O SER A 74 -20.539 -4.551 -2.313 1.00 0.00 O ATOM 1066 CB SER A 74 -23.384 -4.324 -2.116 1.00 0.00 C ATOM 1067 OG SER A 74 -23.941 -5.452 -2.767 1.00 0.00 O ATOM 0 H SER A 74 -21.953 -2.802 -0.382 1.00 0.00 H new ATOM 0 HA SER A 74 -22.971 -5.584 -0.424 1.00 0.00 H new ATOM 0 HB2 SER A 74 -24.183 -3.675 -1.759 1.00 0.00 H new ATOM 0 HB3 SER A 74 -22.795 -3.744 -2.827 1.00 0.00 H new ATOM 0 HG SER A 74 -24.502 -5.155 -3.513 1.00 0.00 H new ATOM 1073 N SER A 75 -20.647 -6.311 -0.915 1.00 0.00 N ATOM 1074 CA SER A 75 -19.351 -6.847 -1.313 1.00 0.00 C ATOM 1075 C SER A 75 -18.254 -5.801 -1.139 1.00 0.00 C ATOM 1076 O SER A 75 -17.464 -5.557 -2.050 1.00 0.00 O ATOM 1077 CB SER A 75 -19.396 -7.319 -2.767 1.00 0.00 C ATOM 1078 OG SER A 75 -18.463 -8.362 -2.994 1.00 0.00 O ATOM 0 H SER A 75 -21.129 -6.860 -0.203 1.00 0.00 H new ATOM 0 HA SER A 75 -19.123 -7.697 -0.670 1.00 0.00 H new ATOM 0 HB2 SER A 75 -20.400 -7.666 -3.009 1.00 0.00 H new ATOM 0 HB3 SER A 75 -19.179 -6.482 -3.431 1.00 0.00 H new ATOM 0 HG SER A 75 -18.512 -8.647 -3.930 1.00 0.00 H new ATOM 1084 N GLY A 76 -18.212 -5.186 0.039 1.00 0.00 N ATOM 1085 CA GLY A 76 -17.209 -4.174 0.312 1.00 0.00 C ATOM 1086 C GLY A 76 -15.803 -4.739 0.324 1.00 0.00 C ATOM 1087 O GLY A 76 -15.003 -4.413 1.201 1.00 0.00 O ATOM 0 H GLY A 76 -18.855 -5.371 0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -17.275 -3.389 -0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -17.419 -3.710 1.276 1.00 0.00 H new TER 1091 GLY A 76