USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 882 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 57 GLN : amide:sc= 1.56 K(o=3.1,f=-1.6) USER MOD Set 1.2: A 79 SER OG : rot -66:sc= 1.56 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 8 MET CE :methyl -178:sc= 0 (180deg=-0.0107) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.212 K(o=-0.21,f=-2.6!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.35 K(o=-1.3,f=-0.71) USER MOD Single : A 21 SER OG : rot 125:sc= 0.441 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.429 USER MOD Single : A 33 SER OG : rot 130:sc= -0.0606 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.91! USER MOD Single : A 47 GLN : amide:sc= -0.292 K(o=-0.29,f=-2.9!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -30:sc= -5.89! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -3.02! K(o=-3!,f=0.25) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -5.29 K(o=-5.3,f=-9.5!) USER MOD Single : A 77 ASN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0846 K(o=-0.085,f=-2!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.379 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 10:sc= 0.527! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.581 -25.407 -21.437 1.00 0.00 N ATOM 2 CA GLY A 1 -16.225 -25.599 -20.041 1.00 0.00 C ATOM 3 C GLY A 1 -14.939 -24.847 -19.695 1.00 0.00 C ATOM 4 O GLY A 1 -13.840 -25.349 -19.929 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.457 -25.927 -21.647 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.727 -24.394 -21.622 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.814 -25.762 -22.043 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.037 -25.250 -19.404 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.095 -26.662 -19.838 1.00 0.00 H new ATOM 8 N SER A 2 -15.117 -23.655 -19.144 1.00 0.00 N ATOM 9 CA SER A 2 -13.984 -22.829 -18.764 1.00 0.00 C ATOM 10 C SER A 2 -14.374 -21.907 -17.607 1.00 0.00 C ATOM 11 O SER A 2 -13.764 -21.952 -16.540 1.00 0.00 O ATOM 12 CB SER A 2 -13.479 -22.006 -19.951 1.00 0.00 C ATOM 13 OG SER A 2 -12.245 -22.505 -20.460 1.00 0.00 O ATOM 0 H SER A 2 -16.029 -23.242 -18.952 1.00 0.00 H new ATOM 0 HA SER A 2 -13.175 -23.485 -18.442 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.228 -22.015 -20.743 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.351 -20.968 -19.644 1.00 0.00 H new ATOM 0 HG SER A 2 -11.957 -21.954 -21.218 1.00 0.00 H new ATOM 19 N SER A 3 -15.389 -21.093 -17.857 1.00 0.00 N ATOM 20 CA SER A 3 -15.867 -20.161 -16.849 1.00 0.00 C ATOM 21 C SER A 3 -17.021 -20.788 -16.064 1.00 0.00 C ATOM 22 O SER A 3 -17.660 -21.727 -16.536 1.00 0.00 O ATOM 23 CB SER A 3 -16.311 -18.843 -17.485 1.00 0.00 C ATOM 24 OG SER A 3 -15.808 -17.713 -16.777 1.00 0.00 O ATOM 0 H SER A 3 -15.894 -21.059 -18.743 1.00 0.00 H new ATOM 0 HA SER A 3 -15.046 -19.944 -16.165 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.968 -18.805 -18.519 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.400 -18.801 -17.509 1.00 0.00 H new ATOM 0 HG SER A 3 -16.112 -16.891 -17.215 1.00 0.00 H new ATOM 30 N GLY A 4 -17.253 -20.243 -14.879 1.00 0.00 N ATOM 31 CA GLY A 4 -18.319 -20.736 -14.024 1.00 0.00 C ATOM 32 C GLY A 4 -19.344 -19.638 -13.737 1.00 0.00 C ATOM 33 O GLY A 4 -19.124 -18.475 -14.071 1.00 0.00 O ATOM 0 H GLY A 4 -16.721 -19.464 -14.491 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.812 -21.582 -14.503 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.899 -21.100 -13.086 1.00 0.00 H new ATOM 37 N SER A 5 -20.444 -20.046 -13.120 1.00 0.00 N ATOM 38 CA SER A 5 -21.504 -19.111 -12.784 1.00 0.00 C ATOM 39 C SER A 5 -21.458 -18.782 -11.290 1.00 0.00 C ATOM 40 O SER A 5 -20.863 -19.520 -10.507 1.00 0.00 O ATOM 41 CB SER A 5 -22.876 -19.674 -13.162 1.00 0.00 C ATOM 42 OG SER A 5 -23.457 -18.974 -14.258 1.00 0.00 O ATOM 0 H SER A 5 -20.624 -21.011 -12.844 1.00 0.00 H new ATOM 0 HA SER A 5 -21.347 -18.196 -13.356 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.777 -20.729 -13.417 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.542 -19.616 -12.301 1.00 0.00 H new ATOM 0 HG SER A 5 -24.331 -19.365 -14.469 1.00 0.00 H new ATOM 48 N SER A 6 -22.095 -17.674 -10.941 1.00 0.00 N ATOM 49 CA SER A 6 -22.135 -17.239 -9.556 1.00 0.00 C ATOM 50 C SER A 6 -22.730 -18.341 -8.677 1.00 0.00 C ATOM 51 O SER A 6 -23.927 -18.615 -8.745 1.00 0.00 O ATOM 52 CB SER A 6 -22.942 -15.948 -9.407 1.00 0.00 C ATOM 53 OG SER A 6 -23.089 -15.564 -8.042 1.00 0.00 O ATOM 0 H SER A 6 -22.588 -17.065 -11.594 1.00 0.00 H new ATOM 0 HA SER A 6 -21.114 -17.037 -9.232 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.449 -15.147 -9.958 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.927 -16.083 -9.854 1.00 0.00 H new ATOM 0 HG SER A 6 -23.609 -14.735 -7.990 1.00 0.00 H new ATOM 59 N GLY A 7 -21.866 -18.944 -7.873 1.00 0.00 N ATOM 60 CA GLY A 7 -22.292 -20.010 -6.983 1.00 0.00 C ATOM 61 C GLY A 7 -21.172 -21.033 -6.779 1.00 0.00 C ATOM 62 O GLY A 7 -20.339 -20.877 -5.888 1.00 0.00 O ATOM 0 H GLY A 7 -20.874 -18.714 -7.820 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.586 -19.590 -6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.171 -20.505 -7.397 1.00 0.00 H new ATOM 66 N MET A 8 -21.190 -22.057 -7.619 1.00 0.00 N ATOM 67 CA MET A 8 -20.186 -23.106 -7.542 1.00 0.00 C ATOM 68 C MET A 8 -18.803 -22.521 -7.248 1.00 0.00 C ATOM 69 O MET A 8 -18.288 -21.717 -8.024 1.00 0.00 O ATOM 70 CB MET A 8 -20.146 -23.872 -8.866 1.00 0.00 C ATOM 71 CG MET A 8 -19.575 -25.278 -8.668 1.00 0.00 C ATOM 72 SD MET A 8 -20.859 -26.496 -8.900 1.00 0.00 S ATOM 73 CE MET A 8 -21.556 -26.527 -7.257 1.00 0.00 C ATOM 0 H MET A 8 -21.883 -22.183 -8.356 1.00 0.00 H new ATOM 0 HA MET A 8 -20.454 -23.781 -6.729 1.00 0.00 H new ATOM 0 HB2 MET A 8 -21.151 -23.939 -9.282 1.00 0.00 H new ATOM 0 HB3 MET A 8 -19.538 -23.327 -9.588 1.00 0.00 H new ATOM 0 HG2 MET A 8 -18.764 -25.453 -9.375 1.00 0.00 H new ATOM 0 HG3 MET A 8 -19.151 -25.370 -7.668 1.00 0.00 H new ATOM 0 HE1 MET A 8 -22.355 -27.268 -7.214 1.00 0.00 H new ATOM 0 HE2 MET A 8 -20.780 -26.788 -6.537 1.00 0.00 H new ATOM 0 HE3 MET A 8 -21.960 -25.544 -7.014 1.00 0.00 H new ATOM 83 N SER A 9 -18.242 -22.947 -6.126 1.00 0.00 N ATOM 84 CA SER A 9 -16.929 -22.475 -5.720 1.00 0.00 C ATOM 85 C SER A 9 -15.845 -23.396 -6.284 1.00 0.00 C ATOM 86 O SER A 9 -16.009 -24.615 -6.303 1.00 0.00 O ATOM 87 CB SER A 9 -16.819 -22.396 -4.196 1.00 0.00 C ATOM 88 OG SER A 9 -15.663 -21.674 -3.781 1.00 0.00 O ATOM 0 H SER A 9 -18.673 -23.614 -5.485 1.00 0.00 H new ATOM 0 HA SER A 9 -16.788 -21.471 -6.119 1.00 0.00 H new ATOM 0 HB2 SER A 9 -17.711 -21.916 -3.793 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.785 -23.404 -3.782 1.00 0.00 H new ATOM 0 HG SER A 9 -15.630 -21.644 -2.802 1.00 0.00 H new ATOM 94 N GLN A 10 -14.761 -22.778 -6.730 1.00 0.00 N ATOM 95 CA GLN A 10 -13.651 -23.527 -7.292 1.00 0.00 C ATOM 96 C GLN A 10 -12.373 -22.686 -7.260 1.00 0.00 C ATOM 97 O GLN A 10 -12.228 -21.740 -8.034 1.00 0.00 O ATOM 98 CB GLN A 10 -13.967 -23.990 -8.716 1.00 0.00 C ATOM 99 CG GLN A 10 -12.874 -24.921 -9.245 1.00 0.00 C ATOM 100 CD GLN A 10 -13.237 -26.387 -9.001 1.00 0.00 C ATOM 101 OE1 GLN A 10 -14.378 -26.736 -8.743 1.00 0.00 O ATOM 102 NE2 GLN A 10 -12.207 -27.223 -9.096 1.00 0.00 N ATOM 0 H GLN A 10 -14.628 -21.767 -6.713 1.00 0.00 H new ATOM 0 HA GLN A 10 -13.493 -24.417 -6.682 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -14.927 -24.506 -8.730 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -14.061 -23.124 -9.371 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.731 -24.751 -10.312 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.927 -24.691 -8.756 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.278 -26.864 -9.315 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.346 -28.223 -8.950 1.00 0.00 H new ATOM 111 N LEU A 11 -11.478 -23.061 -6.357 1.00 0.00 N ATOM 112 CA LEU A 11 -10.218 -22.353 -6.214 1.00 0.00 C ATOM 113 C LEU A 11 -10.494 -20.908 -5.792 1.00 0.00 C ATOM 114 O LEU A 11 -11.439 -20.287 -6.275 1.00 0.00 O ATOM 115 CB LEU A 11 -9.388 -22.471 -7.495 1.00 0.00 C ATOM 116 CG LEU A 11 -8.678 -23.809 -7.712 1.00 0.00 C ATOM 117 CD1 LEU A 11 -8.616 -24.161 -9.200 1.00 0.00 C ATOM 118 CD2 LEU A 11 -7.292 -23.805 -7.066 1.00 0.00 C ATOM 0 H LEU A 11 -11.601 -23.846 -5.718 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.615 -22.806 -5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.043 -22.287 -8.347 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.638 -21.680 -7.493 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.260 -24.589 -7.220 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.107 -25.116 -9.327 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.628 -24.233 -9.599 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.069 -23.384 -9.735 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.809 -24.767 -7.235 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.687 -23.013 -7.507 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.391 -23.632 -5.994 1.00 0.00 H new ATOM 130 N GLY A 12 -9.652 -20.416 -4.896 1.00 0.00 N ATOM 131 CA GLY A 12 -9.793 -19.056 -4.404 1.00 0.00 C ATOM 132 C GLY A 12 -9.036 -18.069 -5.294 1.00 0.00 C ATOM 133 O GLY A 12 -8.077 -17.437 -4.852 1.00 0.00 O ATOM 0 H GLY A 12 -8.869 -20.935 -4.498 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.848 -18.785 -4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.416 -18.994 -3.383 1.00 0.00 H new ATOM 137 N SER A 13 -9.494 -17.967 -6.533 1.00 0.00 N ATOM 138 CA SER A 13 -8.872 -17.067 -7.489 1.00 0.00 C ATOM 139 C SER A 13 -8.957 -15.625 -6.984 1.00 0.00 C ATOM 140 O SER A 13 -9.636 -15.349 -5.996 1.00 0.00 O ATOM 141 CB SER A 13 -9.530 -17.186 -8.866 1.00 0.00 C ATOM 142 OG SER A 13 -10.841 -16.629 -8.881 1.00 0.00 O ATOM 0 H SER A 13 -10.289 -18.493 -6.897 1.00 0.00 H new ATOM 0 HA SER A 13 -7.824 -17.348 -7.591 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.912 -16.680 -9.608 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.579 -18.236 -9.155 1.00 0.00 H new ATOM 0 HG SER A 13 -11.226 -16.723 -9.777 1.00 0.00 H new ATOM 148 N ARG A 14 -8.257 -14.744 -7.684 1.00 0.00 N ATOM 149 CA ARG A 14 -8.245 -13.338 -7.318 1.00 0.00 C ATOM 150 C ARG A 14 -7.733 -13.167 -5.886 1.00 0.00 C ATOM 151 O ARG A 14 -7.448 -14.149 -5.204 1.00 0.00 O ATOM 152 CB ARG A 14 -9.643 -12.728 -7.429 1.00 0.00 C ATOM 153 CG ARG A 14 -10.131 -12.735 -8.879 1.00 0.00 C ATOM 154 CD ARG A 14 -11.654 -12.596 -8.946 1.00 0.00 C ATOM 155 NE ARG A 14 -12.134 -12.938 -10.303 1.00 0.00 N ATOM 156 CZ ARG A 14 -12.181 -12.071 -11.324 1.00 0.00 C ATOM 157 NH1 ARG A 14 -11.778 -10.805 -11.147 1.00 0.00 N ATOM 158 NH2 ARG A 14 -12.632 -12.469 -12.521 1.00 0.00 N ATOM 0 H ARG A 14 -7.694 -14.977 -8.502 1.00 0.00 H new ATOM 0 HA ARG A 14 -7.580 -12.821 -8.010 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -10.339 -13.289 -6.805 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -9.629 -11.706 -7.051 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -9.663 -11.918 -9.428 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -9.825 -13.661 -9.365 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -12.120 -13.252 -8.210 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -11.946 -11.576 -8.694 1.00 0.00 H new ATOM 0 HE ARG A 14 -12.449 -13.893 -10.472 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -11.436 -10.502 -10.235 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -11.814 -10.145 -11.924 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -12.940 -13.432 -12.656 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.668 -11.809 -13.298 1.00 0.00 H new ATOM 172 N GLY A 15 -7.632 -11.912 -5.474 1.00 0.00 N ATOM 173 CA GLY A 15 -7.160 -11.599 -4.136 1.00 0.00 C ATOM 174 C GLY A 15 -7.378 -10.120 -3.810 1.00 0.00 C ATOM 175 O GLY A 15 -8.187 -9.452 -4.451 1.00 0.00 O ATOM 0 H GLY A 15 -7.869 -11.100 -6.043 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.685 -12.217 -3.407 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.100 -11.841 -4.054 1.00 0.00 H new ATOM 179 N ARG A 16 -6.641 -9.653 -2.812 1.00 0.00 N ATOM 180 CA ARG A 16 -6.744 -8.265 -2.393 1.00 0.00 C ATOM 181 C ARG A 16 -5.369 -7.731 -1.985 1.00 0.00 C ATOM 182 O ARG A 16 -4.600 -8.427 -1.324 1.00 0.00 O ATOM 183 CB ARG A 16 -7.711 -8.116 -1.217 1.00 0.00 C ATOM 184 CG ARG A 16 -8.722 -6.998 -1.477 1.00 0.00 C ATOM 185 CD ARG A 16 -10.130 -7.422 -1.053 1.00 0.00 C ATOM 186 NE ARG A 16 -10.944 -7.739 -2.248 1.00 0.00 N ATOM 187 CZ ARG A 16 -12.283 -7.780 -2.256 1.00 0.00 C ATOM 188 NH1 ARG A 16 -12.967 -7.523 -1.133 1.00 0.00 N ATOM 189 NH2 ARG A 16 -12.938 -8.077 -3.386 1.00 0.00 N ATOM 0 H ARG A 16 -5.971 -10.210 -2.282 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.125 -7.690 -3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.237 -9.056 -1.053 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.152 -7.901 -0.307 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.428 -6.102 -0.930 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.720 -6.740 -2.536 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.075 -8.292 -0.399 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.603 -6.623 -0.482 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.455 -7.939 -3.120 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.468 -7.296 -0.273 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.987 -7.554 -1.138 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.417 -8.272 -4.241 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.958 -8.108 -3.391 1.00 0.00 H new ATOM 203 N LEU A 17 -5.103 -6.500 -2.395 1.00 0.00 N ATOM 204 CA LEU A 17 -3.834 -5.864 -2.081 1.00 0.00 C ATOM 205 C LEU A 17 -3.905 -5.262 -0.677 1.00 0.00 C ATOM 206 O LEU A 17 -4.989 -4.956 -0.182 1.00 0.00 O ATOM 207 CB LEU A 17 -3.459 -4.853 -3.166 1.00 0.00 C ATOM 208 CG LEU A 17 -3.345 -5.406 -4.588 1.00 0.00 C ATOM 209 CD1 LEU A 17 -4.220 -4.609 -5.558 1.00 0.00 C ATOM 210 CD2 LEU A 17 -1.885 -5.455 -5.042 1.00 0.00 C ATOM 0 H LEU A 17 -5.744 -5.925 -2.942 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.030 -6.600 -2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.203 -4.057 -3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.506 -4.398 -2.897 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.716 -6.431 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.121 -5.023 -6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.261 -4.669 -5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.902 -3.566 -5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.832 -5.852 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.464 -4.450 -5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.317 -6.099 -4.371 1.00 0.00 H new ATOM 222 N TRP A 18 -2.736 -5.109 -0.073 1.00 0.00 N ATOM 223 CA TRP A 18 -2.651 -4.549 1.265 1.00 0.00 C ATOM 224 C TRP A 18 -1.187 -4.203 1.541 1.00 0.00 C ATOM 225 O TRP A 18 -0.310 -4.508 0.733 1.00 0.00 O ATOM 226 CB TRP A 18 -3.245 -5.507 2.299 1.00 0.00 C ATOM 227 CG TRP A 18 -2.774 -6.955 2.149 1.00 0.00 C ATOM 228 CD1 TRP A 18 -3.296 -7.916 1.375 1.00 0.00 C ATOM 229 CD2 TRP A 18 -1.657 -7.570 2.825 1.00 0.00 C ATOM 230 NE1 TRP A 18 -2.600 -9.101 1.502 1.00 0.00 N ATOM 231 CE2 TRP A 18 -1.572 -8.884 2.411 1.00 0.00 C ATOM 232 CE3 TRP A 18 -0.749 -7.035 3.755 1.00 0.00 C ATOM 233 CZ2 TRP A 18 -0.594 -9.772 2.876 1.00 0.00 C ATOM 234 CZ3 TRP A 18 0.222 -7.935 4.209 1.00 0.00 C ATOM 235 CH2 TRP A 18 0.321 -9.261 3.803 1.00 0.00 C ATOM 0 H TRP A 18 -1.839 -5.363 -0.486 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.243 -3.637 1.340 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.987 -5.153 3.297 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.332 -5.480 2.222 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.153 -7.780 0.733 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.803 -9.975 1.018 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.797 -6.010 4.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.548 -10.796 2.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.945 -7.574 4.925 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.100 -9.894 4.201 1.00 0.00 H new ATOM 246 N LEU A 19 -0.966 -3.573 2.685 1.00 0.00 N ATOM 247 CA LEU A 19 0.377 -3.183 3.078 1.00 0.00 C ATOM 248 C LEU A 19 0.789 -3.970 4.324 1.00 0.00 C ATOM 249 O LEU A 19 -0.039 -4.241 5.193 1.00 0.00 O ATOM 250 CB LEU A 19 0.465 -1.665 3.254 1.00 0.00 C ATOM 251 CG LEU A 19 -0.129 -0.824 2.122 1.00 0.00 C ATOM 252 CD1 LEU A 19 -0.321 0.629 2.562 1.00 0.00 C ATOM 253 CD2 LEU A 19 0.721 -0.932 0.854 1.00 0.00 C ATOM 0 H LEU A 19 -1.695 -3.323 3.353 1.00 0.00 H new ATOM 0 HA LEU A 19 1.090 -3.432 2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.039 -1.397 4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.514 -1.393 3.371 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.115 -1.221 1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.744 1.205 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.998 0.664 3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.642 1.054 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.277 -0.325 0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.730 -0.576 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.762 -1.972 0.531 1.00 0.00 H new ATOM 265 N GLN A 20 2.067 -4.316 4.371 1.00 0.00 N ATOM 266 CA GLN A 20 2.598 -5.067 5.495 1.00 0.00 C ATOM 267 C GLN A 20 3.627 -4.228 6.256 1.00 0.00 C ATOM 268 O GLN A 20 4.774 -4.107 5.827 1.00 0.00 O ATOM 269 CB GLN A 20 3.206 -6.392 5.031 1.00 0.00 C ATOM 270 CG GLN A 20 3.182 -7.430 6.155 1.00 0.00 C ATOM 271 CD GLN A 20 3.189 -8.851 5.589 1.00 0.00 C ATOM 272 OE1 GLN A 20 2.512 -9.743 6.072 1.00 0.00 O ATOM 273 NE2 GLN A 20 3.992 -9.012 4.540 1.00 0.00 N ATOM 0 H GLN A 20 2.750 -4.090 3.648 1.00 0.00 H new ATOM 0 HA GLN A 20 1.776 -5.300 6.172 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.652 -6.769 4.171 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.233 -6.230 4.703 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.046 -7.289 6.804 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.294 -7.284 6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.532 -8.223 4.185 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.067 -9.925 4.091 1.00 0.00 H new ATOM 282 N SER A 21 3.180 -3.670 7.371 1.00 0.00 N ATOM 283 CA SER A 21 4.048 -2.845 8.195 1.00 0.00 C ATOM 284 C SER A 21 5.102 -3.717 8.880 1.00 0.00 C ATOM 285 O SER A 21 4.843 -4.877 9.198 1.00 0.00 O ATOM 286 CB SER A 21 3.242 -2.069 9.239 1.00 0.00 C ATOM 287 OG SER A 21 2.070 -2.774 9.641 1.00 0.00 O ATOM 0 H SER A 21 2.228 -3.773 7.724 1.00 0.00 H new ATOM 0 HA SER A 21 4.547 -2.122 7.549 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.867 -1.878 10.111 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.959 -1.099 8.831 1.00 0.00 H new ATOM 0 HG SER A 21 2.072 -2.883 10.615 1.00 0.00 H new ATOM 293 N PRO A 22 6.300 -3.110 9.092 1.00 0.00 N ATOM 294 CA PRO A 22 7.395 -3.818 9.733 1.00 0.00 C ATOM 295 C PRO A 22 7.156 -3.950 11.239 1.00 0.00 C ATOM 296 O PRO A 22 6.231 -3.346 11.779 1.00 0.00 O ATOM 297 CB PRO A 22 8.637 -3.009 9.398 1.00 0.00 C ATOM 298 CG PRO A 22 8.139 -1.636 8.979 1.00 0.00 C ATOM 299 CD PRO A 22 6.643 -1.738 8.729 1.00 0.00 C ATOM 0 HA PRO A 22 7.497 -4.844 9.379 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.301 -2.938 10.260 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.205 -3.480 8.596 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.347 -0.901 9.757 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.654 -1.302 8.079 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.090 -1.018 9.333 1.00 0.00 H new ATOM 0 HD3 PRO A 22 6.401 -1.532 7.687 1.00 0.00 H new ATOM 307 N THR A 23 8.006 -4.744 11.873 1.00 0.00 N ATOM 308 CA THR A 23 7.898 -4.963 13.306 1.00 0.00 C ATOM 309 C THR A 23 6.444 -5.235 13.696 1.00 0.00 C ATOM 310 O THR A 23 5.610 -5.520 12.838 1.00 0.00 O ATOM 311 CB THR A 23 8.501 -3.749 14.016 1.00 0.00 C ATOM 312 OG1 THR A 23 8.656 -4.179 15.366 1.00 0.00 O ATOM 313 CG2 THR A 23 7.521 -2.578 14.108 1.00 0.00 C ATOM 0 H THR A 23 8.772 -5.243 11.421 1.00 0.00 H new ATOM 0 HA THR A 23 8.455 -5.848 13.614 1.00 0.00 H new ATOM 0 HB THR A 23 9.400 -3.429 13.489 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.043 -3.453 15.898 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.999 -1.743 14.620 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.229 -2.269 13.105 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.636 -2.887 14.665 1.00 0.00 H new ATOM 321 N GLY A 24 6.185 -5.138 14.992 1.00 0.00 N ATOM 322 CA GLY A 24 4.846 -5.370 15.507 1.00 0.00 C ATOM 323 C GLY A 24 3.992 -4.105 15.402 1.00 0.00 C ATOM 324 O GLY A 24 3.166 -3.836 16.273 1.00 0.00 O ATOM 0 H GLY A 24 6.880 -4.902 15.701 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.374 -6.179 14.950 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.903 -5.689 16.548 1.00 0.00 H new ATOM 328 N GLY A 25 4.219 -3.363 14.328 1.00 0.00 N ATOM 329 CA GLY A 25 3.480 -2.133 14.098 1.00 0.00 C ATOM 330 C GLY A 25 1.977 -2.405 14.009 1.00 0.00 C ATOM 331 O GLY A 25 1.459 -3.281 14.700 1.00 0.00 O ATOM 0 H GLY A 25 4.904 -3.590 13.607 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.679 -1.429 14.906 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.824 -1.665 13.176 1.00 0.00 H new ATOM 335 N PRO A 26 1.302 -1.618 13.129 1.00 0.00 N ATOM 336 CA PRO A 26 -0.131 -1.765 12.940 1.00 0.00 C ATOM 337 C PRO A 26 -0.451 -3.016 12.120 1.00 0.00 C ATOM 338 O PRO A 26 0.451 -3.659 11.585 1.00 0.00 O ATOM 339 CB PRO A 26 -0.572 -0.479 12.260 1.00 0.00 C ATOM 340 CG PRO A 26 0.688 0.136 11.675 1.00 0.00 C ATOM 341 CD PRO A 26 1.883 -0.571 12.293 1.00 0.00 C ATOM 0 HA PRO A 26 -0.667 -1.907 13.879 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.306 -0.681 11.480 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.043 0.198 12.973 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.698 0.026 10.591 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.725 1.204 11.887 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.534 -0.992 11.527 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.488 0.117 12.883 1.00 0.00 H new ATOM 349 N PRO A 27 -1.771 -3.332 12.043 1.00 0.00 N ATOM 350 CA PRO A 27 -2.221 -4.494 11.297 1.00 0.00 C ATOM 351 C PRO A 27 -2.161 -4.235 9.790 1.00 0.00 C ATOM 352 O PRO A 27 -1.878 -3.118 9.359 1.00 0.00 O ATOM 353 CB PRO A 27 -3.631 -4.762 11.797 1.00 0.00 C ATOM 354 CG PRO A 27 -4.090 -3.473 12.460 1.00 0.00 C ATOM 355 CD PRO A 27 -2.867 -2.593 12.664 1.00 0.00 C ATOM 0 HA PRO A 27 -1.585 -5.365 11.453 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.292 -5.035 10.974 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.644 -5.591 12.504 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.827 -2.965 11.838 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.571 -3.685 13.415 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.000 -1.616 12.199 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.677 -2.418 13.723 1.00 0.00 H new ATOM 363 N PRO A 28 -2.439 -5.314 9.010 1.00 0.00 N ATOM 364 CA PRO A 28 -2.419 -5.214 7.560 1.00 0.00 C ATOM 365 C PRO A 28 -3.657 -4.478 7.044 1.00 0.00 C ATOM 366 O PRO A 28 -4.752 -5.038 7.023 1.00 0.00 O ATOM 367 CB PRO A 28 -2.333 -6.650 7.069 1.00 0.00 C ATOM 368 CG PRO A 28 -2.775 -7.517 8.236 1.00 0.00 C ATOM 369 CD PRO A 28 -2.778 -6.652 9.485 1.00 0.00 C ATOM 0 HA PRO A 28 -1.577 -4.629 7.190 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.975 -6.805 6.202 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.317 -6.897 6.762 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.769 -7.926 8.053 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.100 -8.364 8.360 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.753 -6.664 9.973 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.052 -7.009 10.215 1.00 0.00 H new ATOM 377 N ILE A 29 -3.442 -3.235 6.641 1.00 0.00 N ATOM 378 CA ILE A 29 -4.527 -2.416 6.127 1.00 0.00 C ATOM 379 C ILE A 29 -4.836 -2.834 4.688 1.00 0.00 C ATOM 380 O ILE A 29 -3.952 -2.830 3.832 1.00 0.00 O ATOM 381 CB ILE A 29 -4.195 -0.930 6.278 1.00 0.00 C ATOM 382 CG1 ILE A 29 -4.083 -0.541 7.753 1.00 0.00 C ATOM 383 CG2 ILE A 29 -5.211 -0.063 5.532 1.00 0.00 C ATOM 384 CD1 ILE A 29 -2.622 -0.337 8.157 1.00 0.00 C ATOM 0 H ILE A 29 -2.532 -2.774 6.660 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.435 -2.576 6.709 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.221 -0.749 5.822 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.646 0.375 7.935 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.530 -1.318 8.373 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.952 0.989 5.655 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.198 -0.318 4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.208 -0.241 5.936 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.571 -0.061 9.210 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.068 -1.262 7.997 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.185 0.458 7.552 1.00 0.00 H new ATOM 396 N PHE A 30 -6.094 -3.185 4.465 1.00 0.00 N ATOM 397 CA PHE A 30 -6.532 -3.604 3.144 1.00 0.00 C ATOM 398 C PHE A 30 -7.009 -2.408 2.319 1.00 0.00 C ATOM 399 O PHE A 30 -8.050 -1.822 2.614 1.00 0.00 O ATOM 400 CB PHE A 30 -7.702 -4.569 3.346 1.00 0.00 C ATOM 401 CG PHE A 30 -7.277 -6.004 3.665 1.00 0.00 C ATOM 402 CD1 PHE A 30 -6.869 -6.329 4.921 1.00 0.00 C ATOM 403 CD2 PHE A 30 -7.308 -6.955 2.693 1.00 0.00 C ATOM 404 CE1 PHE A 30 -6.475 -7.660 5.218 1.00 0.00 C ATOM 405 CE2 PHE A 30 -6.914 -8.286 2.989 1.00 0.00 C ATOM 406 CZ PHE A 30 -6.506 -8.611 4.245 1.00 0.00 C ATOM 0 H PHE A 30 -6.824 -3.188 5.177 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.706 -4.073 2.610 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.330 -4.198 4.156 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.315 -4.574 2.445 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.845 -5.574 5.693 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.633 -6.697 1.696 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.151 -7.918 6.215 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.938 -9.041 2.217 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.207 -9.624 4.470 1.00 0.00 H new ATOM 416 N LEU A 31 -6.226 -2.081 1.302 1.00 0.00 N ATOM 417 CA LEU A 31 -6.556 -0.965 0.432 1.00 0.00 C ATOM 418 C LEU A 31 -7.887 -1.246 -0.269 1.00 0.00 C ATOM 419 O LEU A 31 -8.329 -2.392 -0.333 1.00 0.00 O ATOM 420 CB LEU A 31 -5.403 -0.677 -0.532 1.00 0.00 C ATOM 421 CG LEU A 31 -3.995 -0.917 0.017 1.00 0.00 C ATOM 422 CD1 LEU A 31 -2.936 -0.323 -0.913 1.00 0.00 C ATOM 423 CD2 LEU A 31 -3.865 -0.387 1.446 1.00 0.00 C ATOM 0 H LEU A 31 -5.364 -2.569 1.061 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.688 -0.054 1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.535 -1.294 -1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.474 0.362 -0.853 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.823 -1.993 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.944 -0.507 -0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.012 -0.789 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.096 0.751 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.855 -0.571 1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.066 0.684 1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.582 -0.897 2.090 1.00 0.00 H new ATOM 435 N PRO A 32 -8.505 -0.151 -0.789 1.00 0.00 N ATOM 436 CA PRO A 32 -9.777 -0.269 -1.482 1.00 0.00 C ATOM 437 C PRO A 32 -9.588 -0.868 -2.877 1.00 0.00 C ATOM 438 O PRO A 32 -8.785 -0.371 -3.666 1.00 0.00 O ATOM 439 CB PRO A 32 -10.340 1.143 -1.513 1.00 0.00 C ATOM 440 CG PRO A 32 -9.162 2.067 -1.253 1.00 0.00 C ATOM 441 CD PRO A 32 -8.012 1.222 -0.731 1.00 0.00 C ATOM 0 HA PRO A 32 -10.467 -0.948 -0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -10.800 1.359 -2.477 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -11.112 1.272 -0.755 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.872 2.582 -2.169 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.432 2.834 -0.527 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.119 1.348 -1.342 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.744 1.504 0.287 1.00 0.00 H new ATOM 449 N SER A 33 -10.340 -1.926 -3.139 1.00 0.00 N ATOM 450 CA SER A 33 -10.265 -2.598 -4.425 1.00 0.00 C ATOM 451 C SER A 33 -11.203 -1.919 -5.425 1.00 0.00 C ATOM 452 O SER A 33 -10.962 -1.955 -6.631 1.00 0.00 O ATOM 453 CB SER A 33 -10.615 -4.082 -4.292 1.00 0.00 C ATOM 454 OG SER A 33 -9.963 -4.686 -3.179 1.00 0.00 O ATOM 0 H SER A 33 -11.005 -2.335 -2.482 1.00 0.00 H new ATOM 0 HA SER A 33 -9.241 -2.525 -4.790 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.694 -4.192 -4.183 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.332 -4.605 -5.206 1.00 0.00 H new ATOM 0 HG SER A 33 -10.620 -5.176 -2.641 1.00 0.00 H new ATOM 460 N ASP A 34 -12.254 -1.317 -4.888 1.00 0.00 N ATOM 461 CA ASP A 34 -13.229 -0.631 -5.718 1.00 0.00 C ATOM 462 C ASP A 34 -12.509 0.379 -6.615 1.00 0.00 C ATOM 463 O ASP A 34 -12.870 0.549 -7.778 1.00 0.00 O ATOM 464 CB ASP A 34 -14.241 0.134 -4.862 1.00 0.00 C ATOM 465 CG ASP A 34 -15.307 -0.734 -4.192 1.00 0.00 C ATOM 466 OD1 ASP A 34 -14.911 -1.583 -3.364 1.00 0.00 O ATOM 467 OD2 ASP A 34 -16.496 -0.529 -4.521 1.00 0.00 O ATOM 0 H ASP A 34 -12.452 -1.290 -3.888 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.753 -1.380 -6.312 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.701 0.681 -4.089 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.738 0.875 -5.488 1.00 0.00 H new ATOM 472 N GLY A 35 -11.504 1.022 -6.039 1.00 0.00 N ATOM 473 CA GLY A 35 -10.730 2.010 -6.771 1.00 0.00 C ATOM 474 C GLY A 35 -10.427 3.227 -5.896 1.00 0.00 C ATOM 475 O GLY A 35 -9.592 4.059 -6.251 1.00 0.00 O ATOM 0 H GLY A 35 -11.208 0.878 -5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.797 1.564 -7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.280 2.323 -7.658 1.00 0.00 H new ATOM 479 N GLN A 36 -11.121 3.294 -4.769 1.00 0.00 N ATOM 480 CA GLN A 36 -10.936 4.396 -3.840 1.00 0.00 C ATOM 481 C GLN A 36 -9.447 4.609 -3.560 1.00 0.00 C ATOM 482 O GLN A 36 -8.606 3.852 -4.042 1.00 0.00 O ATOM 483 CB GLN A 36 -11.709 4.154 -2.542 1.00 0.00 C ATOM 484 CG GLN A 36 -13.056 4.879 -2.564 1.00 0.00 C ATOM 485 CD GLN A 36 -13.838 4.622 -1.274 1.00 0.00 C ATOM 486 OE1 GLN A 36 -13.487 5.089 -0.202 1.00 0.00 O ATOM 487 NE2 GLN A 36 -14.913 3.857 -1.436 1.00 0.00 N ATOM 0 H GLN A 36 -11.812 2.603 -4.478 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.333 5.302 -4.297 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.869 3.085 -2.404 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.119 4.500 -1.693 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.895 5.950 -2.689 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.640 4.543 -3.421 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -15.149 3.499 -2.361 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.501 3.628 -0.635 1.00 0.00 H new ATOM 496 N ALA A 37 -9.166 5.644 -2.782 1.00 0.00 N ATOM 497 CA ALA A 37 -7.794 5.967 -2.432 1.00 0.00 C ATOM 498 C ALA A 37 -7.663 6.037 -0.909 1.00 0.00 C ATOM 499 O ALA A 37 -8.406 6.764 -0.251 1.00 0.00 O ATOM 500 CB ALA A 37 -7.387 7.276 -3.112 1.00 0.00 C ATOM 0 H ALA A 37 -9.866 6.270 -2.384 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.116 5.191 -2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.357 7.518 -2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.469 7.165 -4.193 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.045 8.079 -2.779 1.00 0.00 H new ATOM 506 N LEU A 38 -6.714 5.271 -0.392 1.00 0.00 N ATOM 507 CA LEU A 38 -6.476 5.237 1.041 1.00 0.00 C ATOM 508 C LEU A 38 -5.400 6.263 1.400 1.00 0.00 C ATOM 509 O LEU A 38 -4.221 6.058 1.115 1.00 0.00 O ATOM 510 CB LEU A 38 -6.145 3.814 1.495 1.00 0.00 C ATOM 511 CG LEU A 38 -6.595 3.439 2.908 1.00 0.00 C ATOM 512 CD1 LEU A 38 -8.089 3.710 3.098 1.00 0.00 C ATOM 513 CD2 LEU A 38 -6.229 1.990 3.234 1.00 0.00 C ATOM 0 H LEU A 38 -6.100 4.668 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.378 5.519 1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.599 3.115 0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.066 3.675 1.430 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.061 4.073 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.383 3.435 4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.290 4.769 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.660 3.119 2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.560 1.750 4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.717 1.323 2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.148 1.864 3.167 1.00 0.00 H new ATOM 525 N VAL A 39 -5.845 7.347 2.019 1.00 0.00 N ATOM 526 CA VAL A 39 -4.934 8.406 2.420 1.00 0.00 C ATOM 527 C VAL A 39 -4.168 7.968 3.670 1.00 0.00 C ATOM 528 O VAL A 39 -4.749 7.844 4.747 1.00 0.00 O ATOM 529 CB VAL A 39 -5.706 9.712 2.619 1.00 0.00 C ATOM 530 CG1 VAL A 39 -5.073 10.560 3.725 1.00 0.00 C ATOM 531 CG2 VAL A 39 -5.800 10.499 1.310 1.00 0.00 C ATOM 0 H VAL A 39 -6.824 7.515 2.252 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.199 8.594 1.638 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.719 9.458 2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.641 11.483 3.846 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.082 10.002 4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.044 10.800 3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.353 11.423 1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.797 10.737 0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.317 9.899 0.561 1.00 0.00 H new ATOM 541 N LEU A 40 -2.875 7.746 3.485 1.00 0.00 N ATOM 542 CA LEU A 40 -2.023 7.325 4.584 1.00 0.00 C ATOM 543 C LEU A 40 -1.336 8.550 5.190 1.00 0.00 C ATOM 544 O LEU A 40 -1.216 9.585 4.537 1.00 0.00 O ATOM 545 CB LEU A 40 -1.049 6.239 4.121 1.00 0.00 C ATOM 546 CG LEU A 40 -1.262 4.847 4.719 1.00 0.00 C ATOM 547 CD1 LEU A 40 -2.664 4.324 4.403 1.00 0.00 C ATOM 548 CD2 LEU A 40 -0.171 3.879 4.257 1.00 0.00 C ATOM 0 H LEU A 40 -2.397 7.850 2.590 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.619 6.870 5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.113 6.160 3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.036 6.563 4.358 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.184 4.925 5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.790 3.333 4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.408 5.002 4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.795 4.264 3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.346 2.897 4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.192 3.799 3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.803 4.250 4.575 1.00 0.00 H new ATOM 560 N GLY A 41 -0.903 8.392 6.432 1.00 0.00 N ATOM 561 CA GLY A 41 -0.231 9.473 7.133 1.00 0.00 C ATOM 562 C GLY A 41 -0.367 9.311 8.649 1.00 0.00 C ATOM 563 O GLY A 41 -0.561 8.202 9.143 1.00 0.00 O ATOM 0 H GLY A 41 -1.004 7.532 6.971 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.824 9.489 6.858 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.655 10.429 6.826 1.00 0.00 H new ATOM 567 N ARG A 42 -0.259 10.434 9.343 1.00 0.00 N ATOM 568 CA ARG A 42 -0.368 10.432 10.792 1.00 0.00 C ATOM 569 C ARG A 42 -1.746 9.922 11.220 1.00 0.00 C ATOM 570 O ARG A 42 -2.748 10.207 10.566 1.00 0.00 O ATOM 571 CB ARG A 42 -0.151 11.834 11.364 1.00 0.00 C ATOM 572 CG ARG A 42 1.156 11.907 12.156 1.00 0.00 C ATOM 573 CD ARG A 42 1.148 13.096 13.119 1.00 0.00 C ATOM 574 NE ARG A 42 0.435 12.733 14.364 1.00 0.00 N ATOM 575 CZ ARG A 42 -0.014 13.623 15.259 1.00 0.00 C ATOM 576 NH1 ARG A 42 0.172 14.933 15.052 1.00 0.00 N ATOM 577 NH2 ARG A 42 -0.650 13.202 16.361 1.00 0.00 N ATOM 0 H ARG A 42 -0.097 11.352 8.929 1.00 0.00 H new ATOM 0 HA ARG A 42 0.406 9.770 11.181 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.130 12.562 10.553 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.987 12.100 12.010 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.299 10.982 12.715 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.997 11.997 11.469 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.171 13.395 13.350 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.664 13.952 12.649 1.00 0.00 H new ATOM 0 HE ARG A 42 0.275 11.743 14.552 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.656 15.253 14.213 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.170 15.611 15.733 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.792 12.204 16.518 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.992 13.879 17.043 1.00 0.00 H new ATOM 591 N GLY A 43 -1.752 9.176 12.315 1.00 0.00 N ATOM 592 CA GLY A 43 -2.990 8.624 12.838 1.00 0.00 C ATOM 593 C GLY A 43 -2.857 7.120 13.088 1.00 0.00 C ATOM 594 O GLY A 43 -1.759 6.570 13.019 1.00 0.00 O ATOM 0 H GLY A 43 -0.919 8.941 12.854 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.254 9.129 13.767 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.801 8.809 12.134 1.00 0.00 H new ATOM 598 N PRO A 44 -4.021 6.481 13.381 1.00 0.00 N ATOM 599 CA PRO A 44 -4.046 5.052 13.642 1.00 0.00 C ATOM 600 C PRO A 44 -3.895 4.255 12.344 1.00 0.00 C ATOM 601 O PRO A 44 -3.860 3.026 12.367 1.00 0.00 O ATOM 602 CB PRO A 44 -5.372 4.802 14.341 1.00 0.00 C ATOM 603 CG PRO A 44 -6.240 6.011 14.032 1.00 0.00 C ATOM 604 CD PRO A 44 -5.340 7.100 13.472 1.00 0.00 C ATOM 0 HA PRO A 44 -3.214 4.724 14.266 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.837 3.885 13.980 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.231 4.686 15.416 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.016 5.750 13.313 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.745 6.359 14.933 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.687 7.437 12.495 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.323 7.974 14.124 1.00 0.00 H new ATOM 612 N LEU A 45 -3.809 4.988 11.244 1.00 0.00 N ATOM 613 CA LEU A 45 -3.663 4.365 9.939 1.00 0.00 C ATOM 614 C LEU A 45 -2.390 3.516 9.924 1.00 0.00 C ATOM 615 O LEU A 45 -2.452 2.302 9.741 1.00 0.00 O ATOM 616 CB LEU A 45 -3.711 5.421 8.833 1.00 0.00 C ATOM 617 CG LEU A 45 -5.095 5.731 8.261 1.00 0.00 C ATOM 618 CD1 LEU A 45 -5.656 4.527 7.501 1.00 0.00 C ATOM 619 CD2 LEU A 45 -6.048 6.210 9.358 1.00 0.00 C ATOM 0 H LEU A 45 -3.838 6.007 11.229 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.498 3.692 9.742 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.285 6.346 9.222 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.068 5.093 8.017 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.993 6.546 7.545 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.641 4.774 7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.987 4.272 6.679 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.740 3.677 8.178 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.025 6.423 8.924 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.150 5.434 10.116 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.649 7.115 9.817 1.00 0.00 H new ATOM 631 N THR A 46 -1.265 4.189 10.119 1.00 0.00 N ATOM 632 CA THR A 46 0.020 3.512 10.130 1.00 0.00 C ATOM 633 C THR A 46 0.688 3.658 11.499 1.00 0.00 C ATOM 634 O THR A 46 1.857 3.312 11.663 1.00 0.00 O ATOM 635 CB THR A 46 0.860 4.072 8.981 1.00 0.00 C ATOM 636 OG1 THR A 46 1.034 5.446 9.316 1.00 0.00 O ATOM 637 CG2 THR A 46 0.093 4.106 7.657 1.00 0.00 C ATOM 0 H THR A 46 -1.217 5.197 10.271 1.00 0.00 H new ATOM 0 HA THR A 46 -0.097 2.440 9.973 1.00 0.00 H new ATOM 0 HB THR A 46 1.761 3.470 8.863 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.570 5.886 8.624 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.735 4.512 6.875 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.212 3.095 7.387 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.790 4.735 7.764 1.00 0.00 H new ATOM 645 N GLN A 47 -0.083 4.170 12.447 1.00 0.00 N ATOM 646 CA GLN A 47 0.419 4.367 13.796 1.00 0.00 C ATOM 647 C GLN A 47 1.539 5.409 13.799 1.00 0.00 C ATOM 648 O GLN A 47 2.319 5.484 14.747 1.00 0.00 O ATOM 649 CB GLN A 47 0.899 3.045 14.400 1.00 0.00 C ATOM 650 CG GLN A 47 -0.286 2.169 14.812 1.00 0.00 C ATOM 651 CD GLN A 47 -0.478 2.187 16.330 1.00 0.00 C ATOM 652 OE1 GLN A 47 0.338 2.697 17.080 1.00 0.00 O ATOM 653 NE2 GLN A 47 -1.601 1.603 16.740 1.00 0.00 N ATOM 0 H GLN A 47 -1.052 4.455 12.307 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.397 4.738 14.416 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.515 2.512 13.676 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.528 3.244 15.268 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.193 2.524 14.323 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.121 1.146 14.475 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.242 1.195 16.059 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.821 1.563 17.735 1.00 0.00 H new ATOM 662 N VAL A 48 1.583 6.187 12.727 1.00 0.00 N ATOM 663 CA VAL A 48 2.594 7.222 12.594 1.00 0.00 C ATOM 664 C VAL A 48 2.155 8.462 13.376 1.00 0.00 C ATOM 665 O VAL A 48 1.003 8.882 13.284 1.00 0.00 O ATOM 666 CB VAL A 48 2.856 7.510 11.115 1.00 0.00 C ATOM 667 CG1 VAL A 48 3.727 8.757 10.945 1.00 0.00 C ATOM 668 CG2 VAL A 48 3.490 6.301 10.425 1.00 0.00 C ATOM 0 H VAL A 48 0.935 6.121 11.942 1.00 0.00 H new ATOM 0 HA VAL A 48 3.540 6.888 13.019 1.00 0.00 H new ATOM 0 HB VAL A 48 1.896 7.704 10.636 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.898 8.939 9.884 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.221 9.617 11.384 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.683 8.604 11.446 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.666 6.532 9.374 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.438 6.062 10.908 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.819 5.446 10.501 1.00 0.00 H new ATOM 678 N THR A 49 3.097 9.012 14.129 1.00 0.00 N ATOM 679 CA THR A 49 2.821 10.195 14.926 1.00 0.00 C ATOM 680 C THR A 49 3.891 11.262 14.684 1.00 0.00 C ATOM 681 O THR A 49 4.168 12.078 15.561 1.00 0.00 O ATOM 682 CB THR A 49 2.714 9.764 16.390 1.00 0.00 C ATOM 683 OG1 THR A 49 3.947 9.097 16.647 1.00 0.00 O ATOM 684 CG2 THR A 49 1.653 8.682 16.605 1.00 0.00 C ATOM 0 H THR A 49 4.051 8.660 14.204 1.00 0.00 H new ATOM 0 HA THR A 49 1.876 10.655 14.637 1.00 0.00 H new ATOM 0 HB THR A 49 2.479 10.631 17.007 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.963 8.786 17.576 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.618 8.412 17.660 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.679 9.061 16.294 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.906 7.802 16.014 1.00 0.00 H new ATOM 692 N ASP A 50 4.462 11.221 13.489 1.00 0.00 N ATOM 693 CA ASP A 50 5.495 12.174 13.121 1.00 0.00 C ATOM 694 C ASP A 50 4.843 13.413 12.504 1.00 0.00 C ATOM 695 O ASP A 50 4.041 13.300 11.577 1.00 0.00 O ATOM 696 CB ASP A 50 6.451 11.578 12.086 1.00 0.00 C ATOM 697 CG ASP A 50 7.476 12.558 11.512 1.00 0.00 C ATOM 698 OD1 ASP A 50 7.612 13.649 12.106 1.00 0.00 O ATOM 699 OD2 ASP A 50 8.099 12.194 10.491 1.00 0.00 O ATOM 0 H ASP A 50 4.229 10.543 12.764 1.00 0.00 H new ATOM 0 HA ASP A 50 6.053 12.431 14.021 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.984 10.745 12.544 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.863 11.168 11.265 1.00 0.00 H new ATOM 704 N ARG A 51 5.211 14.566 13.042 1.00 0.00 N ATOM 705 CA ARG A 51 4.672 15.825 12.555 1.00 0.00 C ATOM 706 C ARG A 51 4.889 15.947 11.046 1.00 0.00 C ATOM 707 O ARG A 51 3.985 16.351 10.316 1.00 0.00 O ATOM 708 CB ARG A 51 5.331 17.014 13.257 1.00 0.00 C ATOM 709 CG ARG A 51 4.913 17.084 14.727 1.00 0.00 C ATOM 710 CD ARG A 51 5.679 18.185 15.463 1.00 0.00 C ATOM 711 NE ARG A 51 6.794 17.596 16.237 1.00 0.00 N ATOM 712 CZ ARG A 51 7.748 18.314 16.845 1.00 0.00 C ATOM 713 NH1 ARG A 51 7.728 19.652 16.774 1.00 0.00 N ATOM 714 NH2 ARG A 51 8.722 17.694 17.526 1.00 0.00 N ATOM 0 H ARG A 51 5.876 14.655 13.810 1.00 0.00 H new ATOM 0 HA ARG A 51 3.604 15.835 12.773 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.415 16.926 13.187 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.053 17.939 12.752 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.842 17.273 14.796 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.098 16.123 15.208 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.066 18.911 14.748 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.006 18.723 16.131 1.00 0.00 H new ATOM 0 HE ARG A 51 6.839 16.580 16.312 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.986 20.124 16.257 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.454 20.198 17.237 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.737 16.676 17.581 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.448 18.241 17.989 1.00 0.00 H new ATOM 728 N LYS A 52 6.093 15.592 10.623 1.00 0.00 N ATOM 729 CA LYS A 52 6.440 15.657 9.213 1.00 0.00 C ATOM 730 C LYS A 52 5.404 14.878 8.401 1.00 0.00 C ATOM 731 O LYS A 52 5.161 15.190 7.236 1.00 0.00 O ATOM 732 CB LYS A 52 7.878 15.181 8.993 1.00 0.00 C ATOM 733 CG LYS A 52 8.876 16.117 9.679 1.00 0.00 C ATOM 734 CD LYS A 52 9.805 16.772 8.655 1.00 0.00 C ATOM 735 CE LYS A 52 11.090 17.270 9.320 1.00 0.00 C ATOM 736 NZ LYS A 52 12.121 17.565 8.301 1.00 0.00 N ATOM 0 H LYS A 52 6.841 15.258 11.231 1.00 0.00 H new ATOM 0 HA LYS A 52 6.412 16.688 8.861 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.994 14.170 9.384 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.091 15.136 7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.338 16.887 10.232 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.466 15.557 10.405 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.051 16.056 7.871 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.293 17.606 8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.880 18.166 9.904 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.462 16.517 10.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.986 17.902 8.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.333 16.701 7.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.770 18.300 7.654 1.00 0.00 H new ATOM 750 N CYS A 53 4.820 13.880 9.047 1.00 0.00 N ATOM 751 CA CYS A 53 3.816 13.054 8.399 1.00 0.00 C ATOM 752 C CYS A 53 2.488 13.814 8.412 1.00 0.00 C ATOM 753 O CYS A 53 2.008 14.215 9.471 1.00 0.00 O ATOM 754 CB CYS A 53 3.695 11.683 9.066 1.00 0.00 C ATOM 755 SG CYS A 53 4.216 10.372 7.900 1.00 0.00 S ATOM 0 H CYS A 53 5.023 13.625 10.013 1.00 0.00 H new ATOM 0 HA CYS A 53 4.112 12.859 7.368 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.313 11.650 9.963 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.666 11.512 9.382 1.00 0.00 H new ATOM 0 HG CYS A 53 3.961 10.748 6.682 1.00 0.00 H new ATOM 761 N SER A 54 1.932 13.990 7.222 1.00 0.00 N ATOM 762 CA SER A 54 0.669 14.695 7.083 1.00 0.00 C ATOM 763 C SER A 54 -0.468 13.694 6.871 1.00 0.00 C ATOM 764 O SER A 54 -0.301 12.698 6.170 1.00 0.00 O ATOM 765 CB SER A 54 0.720 15.693 5.924 1.00 0.00 C ATOM 766 OG SER A 54 0.028 16.901 6.229 1.00 0.00 O ATOM 0 H SER A 54 2.333 13.657 6.345 1.00 0.00 H new ATOM 0 HA SER A 54 0.486 15.254 8.001 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.759 15.920 5.687 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.282 15.239 5.035 1.00 0.00 H new ATOM 0 HG SER A 54 0.085 17.512 5.465 1.00 0.00 H new ATOM 772 N ARG A 55 -1.601 13.995 7.491 1.00 0.00 N ATOM 773 CA ARG A 55 -2.766 13.134 7.379 1.00 0.00 C ATOM 774 C ARG A 55 -2.879 12.576 5.959 1.00 0.00 C ATOM 775 O ARG A 55 -3.246 11.417 5.771 1.00 0.00 O ATOM 776 CB ARG A 55 -4.048 13.894 7.725 1.00 0.00 C ATOM 777 CG ARG A 55 -4.067 14.292 9.202 1.00 0.00 C ATOM 778 CD ARG A 55 -5.391 14.964 9.571 1.00 0.00 C ATOM 779 NE ARG A 55 -6.228 14.035 10.363 1.00 0.00 N ATOM 780 CZ ARG A 55 -7.476 14.306 10.766 1.00 0.00 C ATOM 781 NH1 ARG A 55 -8.040 15.481 10.455 1.00 0.00 N ATOM 782 NH2 ARG A 55 -8.161 13.402 11.480 1.00 0.00 N ATOM 0 H ARG A 55 -1.736 14.823 8.072 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.642 12.314 8.086 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.125 14.786 7.103 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.915 13.273 7.501 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.918 13.408 9.823 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.240 14.971 9.410 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.200 15.872 10.143 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.921 15.263 8.667 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.829 13.131 10.618 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.519 16.169 9.911 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.991 15.688 10.762 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.732 12.507 11.717 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.112 13.609 11.787 1.00 0.00 H new ATOM 796 N ASN A 56 -2.558 13.427 4.996 1.00 0.00 N ATOM 797 CA ASN A 56 -2.619 13.033 3.598 1.00 0.00 C ATOM 798 C ASN A 56 -1.241 13.218 2.960 1.00 0.00 C ATOM 799 O ASN A 56 -1.084 14.009 2.031 1.00 0.00 O ATOM 800 CB ASN A 56 -3.618 13.898 2.826 1.00 0.00 C ATOM 801 CG ASN A 56 -3.795 15.262 3.496 1.00 0.00 C ATOM 802 OD1 ASN A 56 -4.897 15.747 3.695 1.00 0.00 O ATOM 803 ND2 ASN A 56 -2.651 15.852 3.831 1.00 0.00 N ATOM 0 H ASN A 56 -2.255 14.388 5.156 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.935 11.991 3.554 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.271 14.034 1.802 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.580 13.388 2.771 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.662 16.766 4.283 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.763 15.390 3.636 1.00 0.00 H new ATOM 810 N GLN A 57 -0.278 12.475 3.483 1.00 0.00 N ATOM 811 CA GLN A 57 1.082 12.546 2.976 1.00 0.00 C ATOM 812 C GLN A 57 1.162 11.920 1.583 1.00 0.00 C ATOM 813 O GLN A 57 1.929 12.376 0.736 1.00 0.00 O ATOM 814 CB GLN A 57 2.062 11.871 3.938 1.00 0.00 C ATOM 815 CG GLN A 57 3.438 11.702 3.290 1.00 0.00 C ATOM 816 CD GLN A 57 4.024 13.057 2.886 1.00 0.00 C ATOM 817 OE1 GLN A 57 3.643 14.101 3.387 1.00 0.00 O ATOM 818 NE2 GLN A 57 4.970 12.980 1.954 1.00 0.00 N ATOM 0 H GLN A 57 -0.412 11.820 4.253 1.00 0.00 H new ATOM 0 HA GLN A 57 1.366 13.596 2.898 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.154 12.467 4.846 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.673 10.897 4.234 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.113 11.203 3.986 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.354 11.062 2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.241 12.072 1.577 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.424 13.829 1.617 1.00 0.00 H new ATOM 827 N VAL A 58 0.360 10.884 1.387 1.00 0.00 N ATOM 828 CA VAL A 58 0.331 10.190 0.111 1.00 0.00 C ATOM 829 C VAL A 58 -1.058 9.586 -0.105 1.00 0.00 C ATOM 830 O VAL A 58 -1.876 9.558 0.813 1.00 0.00 O ATOM 831 CB VAL A 58 1.451 9.149 0.055 1.00 0.00 C ATOM 832 CG1 VAL A 58 2.788 9.801 -0.305 1.00 0.00 C ATOM 833 CG2 VAL A 58 1.552 8.382 1.375 1.00 0.00 C ATOM 0 H VAL A 58 -0.275 10.508 2.091 1.00 0.00 H new ATOM 0 HA VAL A 58 0.513 10.887 -0.707 1.00 0.00 H new ATOM 0 HB VAL A 58 1.206 8.434 -0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.567 9.039 -0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.708 10.281 -1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.043 10.548 0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.355 7.648 1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.763 9.079 2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.609 7.871 1.572 1.00 0.00 H new ATOM 843 N GLU A 59 -1.282 9.116 -1.323 1.00 0.00 N ATOM 844 CA GLU A 59 -2.557 8.514 -1.671 1.00 0.00 C ATOM 845 C GLU A 59 -2.339 7.147 -2.322 1.00 0.00 C ATOM 846 O GLU A 59 -1.934 7.065 -3.481 1.00 0.00 O ATOM 847 CB GLU A 59 -3.367 9.435 -2.587 1.00 0.00 C ATOM 848 CG GLU A 59 -4.833 9.002 -2.642 1.00 0.00 C ATOM 849 CD GLU A 59 -5.764 10.216 -2.634 1.00 0.00 C ATOM 850 OE1 GLU A 59 -5.801 10.909 -3.673 1.00 0.00 O ATOM 851 OE2 GLU A 59 -6.418 10.423 -1.589 1.00 0.00 O ATOM 0 H GLU A 59 -0.601 9.140 -2.082 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.131 8.371 -0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.301 10.462 -2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.942 9.421 -3.591 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.008 8.411 -3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.059 8.361 -1.790 1.00 0.00 H new ATOM 858 N LEU A 60 -2.617 6.108 -1.549 1.00 0.00 N ATOM 859 CA LEU A 60 -2.456 4.748 -2.036 1.00 0.00 C ATOM 860 C LEU A 60 -3.766 4.281 -2.674 1.00 0.00 C ATOM 861 O LEU A 60 -4.848 4.584 -2.172 1.00 0.00 O ATOM 862 CB LEU A 60 -1.957 3.833 -0.916 1.00 0.00 C ATOM 863 CG LEU A 60 -0.457 3.890 -0.621 1.00 0.00 C ATOM 864 CD1 LEU A 60 -0.172 4.761 0.604 1.00 0.00 C ATOM 865 CD2 LEU A 60 0.127 2.484 -0.474 1.00 0.00 C ATOM 0 H LEU A 60 -2.953 6.180 -0.589 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.691 4.709 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.496 4.083 -0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.218 2.806 -1.170 1.00 0.00 H new ATOM 0 HG LEU A 60 0.041 4.357 -1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.901 4.785 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.531 5.774 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.683 4.346 1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.194 2.553 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.371 1.967 0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.026 1.928 -1.399 1.00 0.00 H new ATOM 877 N ILE A 61 -3.626 3.551 -3.771 1.00 0.00 N ATOM 878 CA ILE A 61 -4.785 3.039 -4.482 1.00 0.00 C ATOM 879 C ILE A 61 -4.491 1.620 -4.973 1.00 0.00 C ATOM 880 O ILE A 61 -3.591 1.415 -5.785 1.00 0.00 O ATOM 881 CB ILE A 61 -5.197 4.002 -5.597 1.00 0.00 C ATOM 882 CG1 ILE A 61 -5.866 5.253 -5.022 1.00 0.00 C ATOM 883 CG2 ILE A 61 -6.084 3.301 -6.628 1.00 0.00 C ATOM 884 CD1 ILE A 61 -5.803 6.414 -6.016 1.00 0.00 C ATOM 0 H ILE A 61 -2.728 3.302 -4.185 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.644 2.974 -3.814 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.296 4.328 -6.116 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.906 5.034 -4.778 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.374 5.538 -4.092 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.362 4.008 -7.409 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.539 2.468 -7.071 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.984 2.927 -6.140 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.285 7.290 -5.583 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.762 6.646 -6.239 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.317 6.134 -6.935 1.00 0.00 H new ATOM 896 N ALA A 62 -5.268 0.678 -4.459 1.00 0.00 N ATOM 897 CA ALA A 62 -5.102 -0.716 -4.835 1.00 0.00 C ATOM 898 C ALA A 62 -5.656 -0.929 -6.245 1.00 0.00 C ATOM 899 O ALA A 62 -6.797 -0.567 -6.529 1.00 0.00 O ATOM 900 CB ALA A 62 -5.787 -1.609 -3.798 1.00 0.00 C ATOM 0 H ALA A 62 -6.014 0.852 -3.786 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.046 -0.986 -4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.663 -2.655 -4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.338 -1.441 -2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.849 -1.368 -3.756 1.00 0.00 H new ATOM 906 N ASP A 63 -4.822 -1.515 -7.091 1.00 0.00 N ATOM 907 CA ASP A 63 -5.214 -1.780 -8.465 1.00 0.00 C ATOM 908 C ASP A 63 -4.997 -3.263 -8.775 1.00 0.00 C ATOM 909 O ASP A 63 -3.939 -3.649 -9.271 1.00 0.00 O ATOM 910 CB ASP A 63 -4.370 -0.964 -9.446 1.00 0.00 C ATOM 911 CG ASP A 63 -4.962 -0.829 -10.851 1.00 0.00 C ATOM 912 OD1 ASP A 63 -6.207 -0.862 -10.948 1.00 0.00 O ATOM 913 OD2 ASP A 63 -4.154 -0.695 -11.796 1.00 0.00 O ATOM 0 H ASP A 63 -3.877 -1.814 -6.852 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.263 -1.504 -8.576 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.223 0.034 -9.033 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.385 -1.425 -9.526 1.00 0.00 H new ATOM 918 N PRO A 64 -6.042 -4.075 -8.463 1.00 0.00 N ATOM 919 CA PRO A 64 -5.976 -5.506 -8.703 1.00 0.00 C ATOM 920 C PRO A 64 -6.133 -5.820 -10.192 1.00 0.00 C ATOM 921 O PRO A 64 -6.117 -6.984 -10.590 1.00 0.00 O ATOM 922 CB PRO A 64 -7.086 -6.100 -7.851 1.00 0.00 C ATOM 923 CG PRO A 64 -8.026 -4.949 -7.529 1.00 0.00 C ATOM 924 CD PRO A 64 -7.310 -3.653 -7.875 1.00 0.00 C ATOM 0 HA PRO A 64 -5.011 -5.934 -8.431 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.608 -6.892 -8.387 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.684 -6.543 -6.940 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.950 -5.039 -8.100 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.301 -4.964 -6.474 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.892 -3.054 -8.576 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.150 -3.040 -6.988 1.00 0.00 H new ATOM 932 N GLU A 65 -6.281 -4.761 -10.975 1.00 0.00 N ATOM 933 CA GLU A 65 -6.441 -4.909 -12.412 1.00 0.00 C ATOM 934 C GLU A 65 -5.135 -5.394 -13.044 1.00 0.00 C ATOM 935 O GLU A 65 -5.136 -6.334 -13.837 1.00 0.00 O ATOM 936 CB GLU A 65 -6.905 -3.598 -13.050 1.00 0.00 C ATOM 937 CG GLU A 65 -8.419 -3.602 -13.272 1.00 0.00 C ATOM 938 CD GLU A 65 -9.115 -2.624 -12.323 1.00 0.00 C ATOM 939 OE1 GLU A 65 -8.665 -1.459 -12.279 1.00 0.00 O ATOM 940 OE2 GLU A 65 -10.082 -3.064 -11.663 1.00 0.00 O ATOM 0 H GLU A 65 -6.293 -3.797 -10.641 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.212 -5.657 -12.597 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.630 -2.760 -12.409 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.395 -3.452 -14.002 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.639 -3.331 -14.305 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.810 -4.607 -13.115 1.00 0.00 H new ATOM 947 N SER A 66 -4.051 -4.730 -12.669 1.00 0.00 N ATOM 948 CA SER A 66 -2.741 -5.082 -13.189 1.00 0.00 C ATOM 949 C SER A 66 -1.772 -5.342 -12.034 1.00 0.00 C ATOM 950 O SER A 66 -0.559 -5.215 -12.196 1.00 0.00 O ATOM 951 CB SER A 66 -2.197 -3.981 -14.101 1.00 0.00 C ATOM 952 OG SER A 66 -2.740 -4.060 -15.416 1.00 0.00 O ATOM 0 H SER A 66 -4.054 -3.950 -12.011 1.00 0.00 H new ATOM 0 HA SER A 66 -2.841 -5.991 -13.782 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.429 -3.007 -13.671 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.111 -4.056 -14.152 1.00 0.00 H new ATOM 0 HG SER A 66 -2.369 -3.339 -15.967 1.00 0.00 H new ATOM 958 N ARG A 67 -2.343 -5.700 -10.893 1.00 0.00 N ATOM 959 CA ARG A 67 -1.544 -5.979 -9.712 1.00 0.00 C ATOM 960 C ARG A 67 -0.574 -4.827 -9.443 1.00 0.00 C ATOM 961 O ARG A 67 0.632 -5.040 -9.329 1.00 0.00 O ATOM 962 CB ARG A 67 -0.751 -7.277 -9.877 1.00 0.00 C ATOM 963 CG ARG A 67 -1.682 -8.490 -9.896 1.00 0.00 C ATOM 964 CD ARG A 67 -2.111 -8.875 -8.478 1.00 0.00 C ATOM 965 NE ARG A 67 -1.771 -10.291 -8.214 1.00 0.00 N ATOM 966 CZ ARG A 67 -2.369 -11.331 -8.811 1.00 0.00 C ATOM 967 NH1 ARG A 67 -3.341 -11.120 -9.710 1.00 0.00 N ATOM 968 NH2 ARG A 67 -1.996 -12.582 -8.509 1.00 0.00 N ATOM 0 H ARG A 67 -3.349 -5.803 -10.762 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.226 -6.088 -8.869 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.176 -7.241 -10.802 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.035 -7.376 -9.061 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.563 -8.267 -10.498 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.177 -9.333 -10.368 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.615 -8.232 -7.752 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.184 -8.722 -8.359 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.035 -10.488 -7.535 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.625 -10.168 -9.940 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.796 -11.912 -10.164 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.257 -12.743 -7.825 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.451 -13.374 -8.963 1.00 0.00 H new ATOM 982 N THR A 68 -1.138 -3.631 -9.349 1.00 0.00 N ATOM 983 CA THR A 68 -0.338 -2.445 -9.095 1.00 0.00 C ATOM 984 C THR A 68 -1.039 -1.535 -8.085 1.00 0.00 C ATOM 985 O THR A 68 -2.187 -1.778 -7.718 1.00 0.00 O ATOM 986 CB THR A 68 -0.062 -1.765 -10.438 1.00 0.00 C ATOM 987 OG1 THR A 68 -1.274 -1.934 -11.168 1.00 0.00 O ATOM 988 CG2 THR A 68 0.982 -2.512 -11.269 1.00 0.00 C ATOM 0 H THR A 68 -2.139 -3.458 -9.444 1.00 0.00 H new ATOM 0 HA THR A 68 0.619 -2.703 -8.642 1.00 0.00 H new ATOM 0 HB THR A 68 0.276 -0.743 -10.265 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.184 -1.521 -12.052 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.140 -1.987 -12.211 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.921 -2.558 -10.717 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.630 -3.524 -11.471 1.00 0.00 H new ATOM 996 N VAL A 69 -0.319 -0.505 -7.665 1.00 0.00 N ATOM 997 CA VAL A 69 -0.857 0.443 -6.705 1.00 0.00 C ATOM 998 C VAL A 69 -0.405 1.855 -7.080 1.00 0.00 C ATOM 999 O VAL A 69 0.784 2.097 -7.284 1.00 0.00 O ATOM 1000 CB VAL A 69 -0.447 0.041 -5.286 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -0.982 1.040 -4.257 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -0.911 -1.380 -4.963 1.00 0.00 C ATOM 0 H VAL A 69 0.633 -0.306 -7.972 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.947 0.434 -6.729 1.00 0.00 H new ATOM 0 HB VAL A 69 0.642 0.057 -5.235 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.677 0.731 -3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.581 2.031 -4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.070 1.070 -4.311 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.607 -1.640 -3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.997 -1.435 -5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.461 -2.079 -5.668 1.00 0.00 H new ATOM 1012 N ALA A 70 -1.378 2.752 -7.161 1.00 0.00 N ATOM 1013 CA ALA A 70 -1.095 4.134 -7.508 1.00 0.00 C ATOM 1014 C ALA A 70 -0.707 4.904 -6.244 1.00 0.00 C ATOM 1015 O ALA A 70 -1.222 4.627 -5.162 1.00 0.00 O ATOM 1016 CB ALA A 70 -2.309 4.743 -8.212 1.00 0.00 C ATOM 0 H ALA A 70 -2.363 2.548 -6.992 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.255 4.191 -8.200 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.096 5.780 -8.472 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.525 4.178 -9.119 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.172 4.705 -7.547 1.00 0.00 H new ATOM 1022 N VAL A 71 0.197 5.856 -6.423 1.00 0.00 N ATOM 1023 CA VAL A 71 0.660 6.668 -5.311 1.00 0.00 C ATOM 1024 C VAL A 71 0.645 8.142 -5.720 1.00 0.00 C ATOM 1025 O VAL A 71 1.046 8.486 -6.831 1.00 0.00 O ATOM 1026 CB VAL A 71 2.038 6.189 -4.851 1.00 0.00 C ATOM 1027 CG1 VAL A 71 2.698 7.219 -3.931 1.00 0.00 C ATOM 1028 CG2 VAL A 71 1.945 4.823 -4.168 1.00 0.00 C ATOM 0 H VAL A 71 0.621 6.083 -7.322 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.008 6.561 -4.456 1.00 0.00 H new ATOM 0 HB VAL A 71 2.666 6.079 -5.735 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.676 6.854 -3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.816 8.161 -4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.072 7.376 -3.053 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.939 4.506 -3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.292 4.895 -3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.538 4.093 -4.868 1.00 0.00 H new ATOM 1038 N LYS A 72 0.177 8.974 -4.801 1.00 0.00 N ATOM 1039 CA LYS A 72 0.104 10.403 -5.052 1.00 0.00 C ATOM 1040 C LYS A 72 0.379 11.160 -3.751 1.00 0.00 C ATOM 1041 O LYS A 72 -0.288 10.930 -2.743 1.00 0.00 O ATOM 1042 CB LYS A 72 -1.232 10.765 -5.704 1.00 0.00 C ATOM 1043 CG LYS A 72 -1.388 12.282 -5.828 1.00 0.00 C ATOM 1044 CD LYS A 72 -2.056 12.658 -7.152 1.00 0.00 C ATOM 1045 CE LYS A 72 -3.504 13.101 -6.929 1.00 0.00 C ATOM 1046 NZ LYS A 72 -3.769 14.377 -7.630 1.00 0.00 N ATOM 0 H LYS A 72 -0.156 8.685 -3.881 1.00 0.00 H new ATOM 0 HA LYS A 72 0.872 10.704 -5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.295 10.307 -6.691 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.052 10.359 -5.112 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.983 12.659 -4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.410 12.758 -5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.496 13.461 -7.631 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.033 11.805 -7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.186 12.332 -7.291 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.694 13.219 -5.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.756 14.663 -7.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.131 15.113 -7.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.607 14.253 -8.650 1.00 0.00 H new ATOM 1060 N GLN A 73 1.361 12.046 -3.816 1.00 0.00 N ATOM 1061 CA GLN A 73 1.732 12.838 -2.655 1.00 0.00 C ATOM 1062 C GLN A 73 0.827 14.067 -2.540 1.00 0.00 C ATOM 1063 O GLN A 73 0.804 14.912 -3.433 1.00 0.00 O ATOM 1064 CB GLN A 73 3.205 13.246 -2.718 1.00 0.00 C ATOM 1065 CG GLN A 73 3.515 14.339 -1.693 1.00 0.00 C ATOM 1066 CD GLN A 73 5.022 14.585 -1.593 1.00 0.00 C ATOM 1067 OE1 GLN A 73 5.836 13.698 -1.785 1.00 0.00 O ATOM 1068 NE2 GLN A 73 5.346 15.837 -1.282 1.00 0.00 N ATOM 0 H GLN A 73 1.911 12.233 -4.654 1.00 0.00 H new ATOM 0 HA GLN A 73 1.596 12.226 -1.763 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.835 12.377 -2.530 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.445 13.603 -3.720 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.010 15.262 -1.977 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.125 14.049 -0.717 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.614 16.532 -1.134 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.327 16.103 -1.191 1.00 0.00 H new ATOM 1077 N LEU A 74 0.103 14.127 -1.432 1.00 0.00 N ATOM 1078 CA LEU A 74 -0.801 15.238 -1.188 1.00 0.00 C ATOM 1079 C LEU A 74 -0.244 16.105 -0.057 1.00 0.00 C ATOM 1080 O LEU A 74 -0.838 17.120 0.302 1.00 0.00 O ATOM 1081 CB LEU A 74 -2.220 14.727 -0.929 1.00 0.00 C ATOM 1082 CG LEU A 74 -2.505 13.288 -1.366 1.00 0.00 C ATOM 1083 CD1 LEU A 74 -3.538 12.631 -0.448 1.00 0.00 C ATOM 1084 CD2 LEU A 74 -2.928 13.235 -2.835 1.00 0.00 C ATOM 0 H LEU A 74 0.124 13.424 -0.693 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.871 15.873 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.425 14.809 0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.921 15.387 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.583 12.714 -1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.723 11.609 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.160 12.617 0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.469 13.198 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.124 12.201 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.832 13.828 -2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.130 13.638 -3.458 1.00 0.00 H new ATOM 1096 N GLY A 75 0.891 15.672 0.473 1.00 0.00 N ATOM 1097 CA GLY A 75 1.535 16.396 1.556 1.00 0.00 C ATOM 1098 C GLY A 75 2.561 17.393 1.015 1.00 0.00 C ATOM 1099 O GLY A 75 2.361 17.979 -0.048 1.00 0.00 O ATOM 0 H GLY A 75 1.381 14.829 0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.783 16.924 2.142 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.026 15.692 2.228 1.00 0.00 H new ATOM 1103 N VAL A 76 3.637 17.555 1.771 1.00 0.00 N ATOM 1104 CA VAL A 76 4.695 18.472 1.380 1.00 0.00 C ATOM 1105 C VAL A 76 6.014 17.705 1.271 1.00 0.00 C ATOM 1106 O VAL A 76 6.709 17.798 0.261 1.00 0.00 O ATOM 1107 CB VAL A 76 4.763 19.642 2.363 1.00 0.00 C ATOM 1108 CG1 VAL A 76 4.543 19.164 3.800 1.00 0.00 C ATOM 1109 CG2 VAL A 76 6.090 20.392 2.232 1.00 0.00 C ATOM 0 H VAL A 76 3.799 17.067 2.652 1.00 0.00 H new ATOM 0 HA VAL A 76 4.486 18.901 0.400 1.00 0.00 H new ATOM 0 HB VAL A 76 3.960 20.336 2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.596 20.015 4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.562 18.696 3.882 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.314 18.440 4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.112 21.219 2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.915 19.711 2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.190 20.781 1.219 1.00 0.00 H new ATOM 1119 N ASN A 77 6.319 16.963 2.326 1.00 0.00 N ATOM 1120 CA ASN A 77 7.542 16.180 2.361 1.00 0.00 C ATOM 1121 C ASN A 77 7.573 15.235 1.158 1.00 0.00 C ATOM 1122 O ASN A 77 6.553 14.651 0.797 1.00 0.00 O ATOM 1123 CB ASN A 77 7.616 15.331 3.632 1.00 0.00 C ATOM 1124 CG ASN A 77 8.040 16.177 4.834 1.00 0.00 C ATOM 1125 OD1 ASN A 77 9.205 16.482 5.031 1.00 0.00 O ATOM 1126 ND2 ASN A 77 7.032 16.539 5.623 1.00 0.00 N ATOM 0 H ASN A 77 5.740 16.888 3.162 1.00 0.00 H new ATOM 0 HA ASN A 77 8.385 16.871 2.339 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.644 14.877 3.827 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.325 14.516 3.488 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.211 17.107 6.451 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.080 16.249 5.400 1.00 0.00 H new ATOM 1133 N PRO A 78 8.786 15.111 0.556 1.00 0.00 N ATOM 1134 CA PRO A 78 8.963 14.246 -0.599 1.00 0.00 C ATOM 1135 C PRO A 78 8.980 12.774 -0.184 1.00 0.00 C ATOM 1136 O PRO A 78 9.806 12.364 0.629 1.00 0.00 O ATOM 1137 CB PRO A 78 10.268 14.700 -1.233 1.00 0.00 C ATOM 1138 CG PRO A 78 11.005 15.482 -0.157 1.00 0.00 C ATOM 1139 CD PRO A 78 10.016 15.787 0.956 1.00 0.00 C ATOM 0 HA PRO A 78 8.142 14.322 -1.312 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.857 13.846 -1.568 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.081 15.322 -2.109 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.846 14.904 0.227 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.414 16.405 -0.568 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.376 15.419 1.917 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.860 16.860 1.064 1.00 0.00 H new ATOM 1147 N SER A 79 8.057 12.019 -0.762 1.00 0.00 N ATOM 1148 CA SER A 79 7.955 10.601 -0.462 1.00 0.00 C ATOM 1149 C SER A 79 8.812 9.796 -1.442 1.00 0.00 C ATOM 1150 O SER A 79 9.135 10.275 -2.528 1.00 0.00 O ATOM 1151 CB SER A 79 6.501 10.129 -0.518 1.00 0.00 C ATOM 1152 OG SER A 79 5.780 10.481 0.660 1.00 0.00 O ATOM 0 H SER A 79 7.373 12.363 -1.436 1.00 0.00 H new ATOM 0 HA SER A 79 8.323 10.439 0.551 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.011 10.567 -1.388 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.476 9.047 -0.649 1.00 0.00 H new ATOM 0 HG SER A 79 6.150 9.996 1.427 1.00 0.00 H new ATOM 1158 N THR A 80 9.155 8.587 -1.023 1.00 0.00 N ATOM 1159 CA THR A 80 9.968 7.712 -1.850 1.00 0.00 C ATOM 1160 C THR A 80 9.196 6.437 -2.197 1.00 0.00 C ATOM 1161 O THR A 80 8.788 5.693 -1.307 1.00 0.00 O ATOM 1162 CB THR A 80 11.280 7.445 -1.109 1.00 0.00 C ATOM 1163 OG1 THR A 80 11.842 8.740 -0.920 1.00 0.00 O ATOM 1164 CG2 THR A 80 12.307 6.717 -1.979 1.00 0.00 C ATOM 0 H THR A 80 8.885 8.193 -0.122 1.00 0.00 H new ATOM 0 HA THR A 80 10.207 8.180 -2.805 1.00 0.00 H new ATOM 0 HB THR A 80 11.078 6.855 -0.215 1.00 0.00 H new ATOM 0 HG1 THR A 80 12.695 8.660 -0.445 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.219 6.553 -1.405 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.900 5.757 -2.296 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.535 7.322 -2.856 1.00 0.00 H new ATOM 1172 N VAL A 81 9.020 6.225 -3.493 1.00 0.00 N ATOM 1173 CA VAL A 81 8.304 5.053 -3.968 1.00 0.00 C ATOM 1174 C VAL A 81 9.311 4.005 -4.447 1.00 0.00 C ATOM 1175 O VAL A 81 9.693 3.993 -5.616 1.00 0.00 O ATOM 1176 CB VAL A 81 7.301 5.456 -5.051 1.00 0.00 C ATOM 1177 CG1 VAL A 81 6.672 4.223 -5.703 1.00 0.00 C ATOM 1178 CG2 VAL A 81 6.226 6.385 -4.484 1.00 0.00 C ATOM 0 H VAL A 81 9.361 6.844 -4.228 1.00 0.00 H new ATOM 0 HA VAL A 81 7.727 4.604 -3.159 1.00 0.00 H new ATOM 0 HB VAL A 81 7.843 6.002 -5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.963 4.538 -6.469 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.453 3.615 -6.159 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.151 3.637 -4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.526 6.656 -5.274 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.690 5.875 -3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.695 7.286 -4.090 1.00 0.00 H new ATOM 1188 N GLY A 82 9.712 3.149 -3.518 1.00 0.00 N ATOM 1189 CA GLY A 82 10.667 2.100 -3.830 1.00 0.00 C ATOM 1190 C GLY A 82 12.103 2.620 -3.738 1.00 0.00 C ATOM 1191 O GLY A 82 12.708 2.598 -2.667 1.00 0.00 O ATOM 0 H GLY A 82 9.393 3.161 -2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.534 1.266 -3.141 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.478 1.718 -4.833 1.00 0.00 H new ATOM 1195 N VAL A 83 12.608 3.075 -4.875 1.00 0.00 N ATOM 1196 CA VAL A 83 13.961 3.600 -4.937 1.00 0.00 C ATOM 1197 C VAL A 83 13.953 4.931 -5.691 1.00 0.00 C ATOM 1198 O VAL A 83 14.988 5.373 -6.188 1.00 0.00 O ATOM 1199 CB VAL A 83 14.896 2.564 -5.563 1.00 0.00 C ATOM 1200 CG1 VAL A 83 14.561 2.343 -7.039 1.00 0.00 C ATOM 1201 CG2 VAL A 83 16.361 2.970 -5.388 1.00 0.00 C ATOM 0 H VAL A 83 12.104 3.091 -5.761 1.00 0.00 H new ATOM 0 HA VAL A 83 14.341 3.797 -3.934 1.00 0.00 H new ATOM 0 HB VAL A 83 14.746 1.619 -5.041 1.00 0.00 H new ATOM 0 HG11 VAL A 83 15.241 1.602 -7.459 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.535 1.987 -7.130 1.00 0.00 H new ATOM 0 HG13 VAL A 83 14.668 3.283 -7.581 1.00 0.00 H new ATOM 0 HG21 VAL A 83 17.004 2.216 -5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 83 16.532 3.932 -5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 83 16.592 3.052 -4.326 1.00 0.00 H new ATOM 1211 N GLN A 84 12.775 5.533 -5.752 1.00 0.00 N ATOM 1212 CA GLN A 84 12.619 6.805 -6.438 1.00 0.00 C ATOM 1213 C GLN A 84 11.997 7.841 -5.499 1.00 0.00 C ATOM 1214 O GLN A 84 11.199 7.496 -4.629 1.00 0.00 O ATOM 1215 CB GLN A 84 11.782 6.644 -7.708 1.00 0.00 C ATOM 1216 CG GLN A 84 11.426 8.007 -8.306 1.00 0.00 C ATOM 1217 CD GLN A 84 11.144 7.891 -9.806 1.00 0.00 C ATOM 1218 OE1 GLN A 84 11.586 6.974 -10.477 1.00 0.00 O ATOM 1219 NE2 GLN A 84 10.386 8.870 -10.291 1.00 0.00 N ATOM 0 H GLN A 84 11.919 5.164 -5.338 1.00 0.00 H new ATOM 0 HA GLN A 84 13.606 7.159 -6.736 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.335 6.055 -8.440 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.869 6.094 -7.479 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.551 8.414 -7.798 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.245 8.706 -8.139 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.049 9.608 -9.673 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.142 8.883 -11.281 1.00 0.00 H new ATOM 1228 N GLU A 85 12.387 9.090 -5.707 1.00 0.00 N ATOM 1229 CA GLU A 85 11.877 10.179 -4.890 1.00 0.00 C ATOM 1230 C GLU A 85 10.676 10.837 -5.572 1.00 0.00 C ATOM 1231 O GLU A 85 10.658 10.992 -6.792 1.00 0.00 O ATOM 1232 CB GLU A 85 12.974 11.206 -4.600 1.00 0.00 C ATOM 1233 CG GLU A 85 13.149 11.410 -3.094 1.00 0.00 C ATOM 1234 CD GLU A 85 14.497 10.862 -2.620 1.00 0.00 C ATOM 1235 OE1 GLU A 85 14.773 9.685 -2.935 1.00 0.00 O ATOM 1236 OE2 GLU A 85 15.220 11.634 -1.954 1.00 0.00 O ATOM 0 H GLU A 85 13.050 9.372 -6.429 1.00 0.00 H new ATOM 0 HA GLU A 85 11.547 9.768 -3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.915 10.872 -5.037 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.722 12.156 -5.073 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.080 12.472 -2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.341 10.911 -2.559 1.00 0.00 H new ATOM 1243 N LEU A 86 9.701 11.206 -4.754 1.00 0.00 N ATOM 1244 CA LEU A 86 8.499 11.843 -5.263 1.00 0.00 C ATOM 1245 C LEU A 86 8.535 13.335 -4.924 1.00 0.00 C ATOM 1246 O LEU A 86 9.545 13.840 -4.436 1.00 0.00 O ATOM 1247 CB LEU A 86 7.251 11.125 -4.744 1.00 0.00 C ATOM 1248 CG LEU A 86 6.895 9.811 -5.442 1.00 0.00 C ATOM 1249 CD1 LEU A 86 5.467 9.380 -5.102 1.00 0.00 C ATOM 1250 CD2 LEU A 86 7.118 9.914 -6.952 1.00 0.00 C ATOM 0 H LEU A 86 9.719 11.076 -3.743 1.00 0.00 H new ATOM 0 HA LEU A 86 8.456 11.763 -6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.387 10.924 -3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.402 11.803 -4.834 1.00 0.00 H new ATOM 0 HG LEU A 86 7.564 9.035 -5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.239 8.443 -5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.376 9.240 -4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.767 10.150 -5.428 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.857 8.967 -7.424 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.491 10.707 -7.359 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.165 10.142 -7.150 1.00 0.00 H new ATOM 1262 N LYS A 87 7.421 13.998 -5.196 1.00 0.00 N ATOM 1263 CA LYS A 87 7.313 15.422 -4.927 1.00 0.00 C ATOM 1264 C LYS A 87 5.893 15.741 -4.455 1.00 0.00 C ATOM 1265 O LYS A 87 5.003 14.896 -4.538 1.00 0.00 O ATOM 1266 CB LYS A 87 7.752 16.233 -6.147 1.00 0.00 C ATOM 1267 CG LYS A 87 9.188 16.736 -5.984 1.00 0.00 C ATOM 1268 CD LYS A 87 9.870 16.899 -7.344 1.00 0.00 C ATOM 1269 CE LYS A 87 11.187 16.122 -7.393 1.00 0.00 C ATOM 1270 NZ LYS A 87 12.097 16.708 -8.403 1.00 0.00 N ATOM 0 H LYS A 87 6.585 13.576 -5.600 1.00 0.00 H new ATOM 0 HA LYS A 87 7.989 15.710 -4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.678 15.617 -7.043 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.080 17.080 -6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.185 17.691 -5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.755 16.036 -5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.206 16.546 -8.133 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.059 17.955 -7.536 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.663 16.139 -6.413 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.991 15.077 -7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.986 16.169 -8.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.647 16.669 -9.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.298 17.698 -8.156 1.00 0.00 H new ATOM 1284 N PRO A 88 5.721 16.995 -3.957 1.00 0.00 N ATOM 1285 CA PRO A 88 4.424 17.436 -3.472 1.00 0.00 C ATOM 1286 C PRO A 88 3.474 17.730 -4.635 1.00 0.00 C ATOM 1287 O PRO A 88 3.496 18.823 -5.198 1.00 0.00 O ATOM 1288 CB PRO A 88 4.718 18.661 -2.621 1.00 0.00 C ATOM 1289 CG PRO A 88 6.102 19.134 -3.036 1.00 0.00 C ATOM 1290 CD PRO A 88 6.752 18.022 -3.843 1.00 0.00 C ATOM 0 HA PRO A 88 3.913 16.673 -2.885 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.973 19.439 -2.786 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.691 18.415 -1.560 1.00 0.00 H new ATOM 0 HG2 PRO A 88 6.032 20.046 -3.630 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.704 19.371 -2.158 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.067 18.377 -4.824 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.641 17.637 -3.343 1.00 0.00 H new ATOM 1298 N GLY A 89 2.663 16.734 -4.960 1.00 0.00 N ATOM 1299 CA GLY A 89 1.707 16.872 -6.046 1.00 0.00 C ATOM 1300 C GLY A 89 2.006 15.877 -7.169 1.00 0.00 C ATOM 1301 O GLY A 89 1.319 15.862 -8.190 1.00 0.00 O ATOM 0 H GLY A 89 2.648 15.828 -4.491 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.697 16.708 -5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.740 17.889 -6.438 1.00 0.00 H new ATOM 1305 N LEU A 90 3.031 15.069 -6.943 1.00 0.00 N ATOM 1306 CA LEU A 90 3.429 14.072 -7.923 1.00 0.00 C ATOM 1307 C LEU A 90 2.606 12.800 -7.714 1.00 0.00 C ATOM 1308 O LEU A 90 1.735 12.756 -6.847 1.00 0.00 O ATOM 1309 CB LEU A 90 4.941 13.842 -7.870 1.00 0.00 C ATOM 1310 CG LEU A 90 5.625 13.568 -9.211 1.00 0.00 C ATOM 1311 CD1 LEU A 90 5.071 14.480 -10.307 1.00 0.00 C ATOM 1312 CD2 LEU A 90 7.146 13.682 -9.084 1.00 0.00 C ATOM 0 H LEU A 90 3.598 15.084 -6.095 1.00 0.00 H new ATOM 0 HA LEU A 90 3.219 14.426 -8.932 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.406 14.719 -7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.137 13.000 -7.206 1.00 0.00 H new ATOM 0 HG LEU A 90 5.402 12.542 -9.504 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.575 14.264 -11.249 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.001 14.305 -10.419 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.242 15.521 -10.035 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.608 13.483 -10.051 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.409 14.688 -8.757 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.506 12.957 -8.354 1.00 0.00 H new ATOM 1324 N SER A 91 2.912 11.796 -8.523 1.00 0.00 N ATOM 1325 CA SER A 91 2.211 10.526 -8.437 1.00 0.00 C ATOM 1326 C SER A 91 3.056 9.418 -9.068 1.00 0.00 C ATOM 1327 O SER A 91 3.684 9.626 -10.105 1.00 0.00 O ATOM 1328 CB SER A 91 0.844 10.604 -9.119 1.00 0.00 C ATOM 1329 OG SER A 91 0.429 11.951 -9.333 1.00 0.00 O ATOM 0 H SER A 91 3.636 11.836 -9.241 1.00 0.00 H new ATOM 0 HA SER A 91 2.049 10.296 -7.384 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.886 10.081 -10.075 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.104 10.090 -8.506 1.00 0.00 H new ATOM 0 HG SER A 91 -0.447 11.958 -9.772 1.00 0.00 H new ATOM 1335 N GLY A 92 3.045 8.265 -8.416 1.00 0.00 N ATOM 1336 CA GLY A 92 3.803 7.124 -8.900 1.00 0.00 C ATOM 1337 C GLY A 92 2.996 5.831 -8.763 1.00 0.00 C ATOM 1338 O GLY A 92 1.794 5.870 -8.505 1.00 0.00 O ATOM 0 H GLY A 92 2.523 8.096 -7.556 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.073 7.279 -9.944 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.734 7.037 -8.339 1.00 0.00 H new ATOM 1342 N SER A 93 3.690 4.716 -8.942 1.00 0.00 N ATOM 1343 CA SER A 93 3.052 3.414 -8.841 1.00 0.00 C ATOM 1344 C SER A 93 3.908 2.478 -7.986 1.00 0.00 C ATOM 1345 O SER A 93 5.134 2.567 -7.998 1.00 0.00 O ATOM 1346 CB SER A 93 2.821 2.806 -10.226 1.00 0.00 C ATOM 1347 OG SER A 93 1.450 2.488 -10.447 1.00 0.00 O ATOM 0 H SER A 93 4.687 4.687 -9.156 1.00 0.00 H new ATOM 0 HA SER A 93 2.080 3.544 -8.364 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.159 3.506 -10.990 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.424 1.904 -10.331 1.00 0.00 H new ATOM 0 HG SER A 93 1.343 2.104 -11.342 1.00 0.00 H new ATOM 1353 N LEU A 94 3.226 1.600 -7.264 1.00 0.00 N ATOM 1354 CA LEU A 94 3.909 0.648 -6.405 1.00 0.00 C ATOM 1355 C LEU A 94 3.569 -0.774 -6.856 1.00 0.00 C ATOM 1356 O LEU A 94 2.399 -1.111 -7.031 1.00 0.00 O ATOM 1357 CB LEU A 94 3.581 0.921 -4.936 1.00 0.00 C ATOM 1358 CG LEU A 94 4.728 1.465 -4.082 1.00 0.00 C ATOM 1359 CD1 LEU A 94 4.558 2.964 -3.826 1.00 0.00 C ATOM 1360 CD2 LEU A 94 4.867 0.674 -2.780 1.00 0.00 C ATOM 0 H LEU A 94 2.209 1.528 -7.257 1.00 0.00 H new ATOM 0 HA LEU A 94 4.989 0.762 -6.493 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.755 1.631 -4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.227 -0.006 -4.485 1.00 0.00 H new ATOM 0 HG LEU A 94 5.657 1.336 -4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.386 3.325 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.548 3.497 -4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.619 3.139 -3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.690 1.082 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.942 0.748 -2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.069 -0.372 -3.010 1.00 0.00 H new ATOM 1372 N SER A 95 4.613 -1.570 -7.032 1.00 0.00 N ATOM 1373 CA SER A 95 4.441 -2.948 -7.459 1.00 0.00 C ATOM 1374 C SER A 95 4.498 -3.883 -6.249 1.00 0.00 C ATOM 1375 O SER A 95 4.959 -3.490 -5.179 1.00 0.00 O ATOM 1376 CB SER A 95 5.503 -3.344 -8.486 1.00 0.00 C ATOM 1377 OG SER A 95 5.636 -2.370 -9.519 1.00 0.00 O ATOM 0 H SER A 95 5.582 -1.287 -6.887 1.00 0.00 H new ATOM 0 HA SER A 95 3.464 -3.038 -7.934 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.462 -3.474 -7.984 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.241 -4.306 -8.926 1.00 0.00 H new ATOM 0 HG SER A 95 6.325 -2.658 -10.154 1.00 0.00 H new ATOM 1383 N LEU A 96 4.024 -5.102 -6.460 1.00 0.00 N ATOM 1384 CA LEU A 96 4.015 -6.095 -5.400 1.00 0.00 C ATOM 1385 C LEU A 96 5.437 -6.274 -4.863 1.00 0.00 C ATOM 1386 O LEU A 96 6.290 -6.851 -5.535 1.00 0.00 O ATOM 1387 CB LEU A 96 3.375 -7.396 -5.890 1.00 0.00 C ATOM 1388 CG LEU A 96 2.011 -7.740 -5.287 1.00 0.00 C ATOM 1389 CD1 LEU A 96 1.407 -8.971 -5.966 1.00 0.00 C ATOM 1390 CD2 LEU A 96 2.110 -7.913 -3.770 1.00 0.00 C ATOM 0 H LEU A 96 3.643 -5.424 -7.350 1.00 0.00 H new ATOM 0 HA LEU A 96 3.399 -5.757 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.268 -7.340 -6.973 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.061 -8.217 -5.680 1.00 0.00 H new ATOM 0 HG LEU A 96 1.335 -6.905 -5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.438 -9.194 -5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.279 -8.773 -7.030 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.073 -9.823 -5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.127 -8.157 -3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.807 -8.719 -3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.467 -6.986 -3.321 1.00 0.00 H new ATOM 1402 N GLY A 97 5.648 -5.767 -3.657 1.00 0.00 N ATOM 1403 CA GLY A 97 6.951 -5.864 -3.023 1.00 0.00 C ATOM 1404 C GLY A 97 7.575 -4.479 -2.838 1.00 0.00 C ATOM 1405 O GLY A 97 8.262 -4.230 -1.848 1.00 0.00 O ATOM 0 H GLY A 97 4.938 -5.288 -3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.853 -6.355 -2.055 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.609 -6.485 -3.630 1.00 0.00 H new ATOM 1409 N ASP A 98 7.312 -3.613 -3.806 1.00 0.00 N ATOM 1410 CA ASP A 98 7.839 -2.259 -3.762 1.00 0.00 C ATOM 1411 C ASP A 98 7.537 -1.643 -2.395 1.00 0.00 C ATOM 1412 O ASP A 98 6.543 -1.990 -1.760 1.00 0.00 O ATOM 1413 CB ASP A 98 7.188 -1.380 -4.832 1.00 0.00 C ATOM 1414 CG ASP A 98 7.829 -1.467 -6.218 1.00 0.00 C ATOM 1415 OD1 ASP A 98 8.027 -2.610 -6.682 1.00 0.00 O ATOM 1416 OD2 ASP A 98 8.107 -0.387 -6.783 1.00 0.00 O ATOM 0 H ASP A 98 6.741 -3.822 -4.625 1.00 0.00 H new ATOM 0 HA ASP A 98 8.913 -2.309 -3.941 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.137 -1.655 -4.917 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.220 -0.343 -4.498 1.00 0.00 H new ATOM 1421 N VAL A 99 8.413 -0.738 -1.983 1.00 0.00 N ATOM 1422 CA VAL A 99 8.252 -0.070 -0.702 1.00 0.00 C ATOM 1423 C VAL A 99 7.740 1.352 -0.935 1.00 0.00 C ATOM 1424 O VAL A 99 7.914 1.910 -2.018 1.00 0.00 O ATOM 1425 CB VAL A 99 9.568 -0.111 0.078 1.00 0.00 C ATOM 1426 CG1 VAL A 99 9.532 0.856 1.263 1.00 0.00 C ATOM 1427 CG2 VAL A 99 9.886 -1.534 0.541 1.00 0.00 C ATOM 0 H VAL A 99 9.236 -0.452 -2.513 1.00 0.00 H new ATOM 0 HA VAL A 99 7.511 -0.587 -0.092 1.00 0.00 H new ATOM 0 HB VAL A 99 10.366 0.209 -0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.479 0.808 1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 99 9.372 1.871 0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.719 0.579 1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.826 -1.536 1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.085 -1.894 1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.974 -2.188 -0.327 1.00 0.00 H new ATOM 1437 N LEU A 100 7.117 1.899 0.098 1.00 0.00 N ATOM 1438 CA LEU A 100 6.577 3.246 0.020 1.00 0.00 C ATOM 1439 C LEU A 100 6.887 3.992 1.319 1.00 0.00 C ATOM 1440 O LEU A 100 6.057 4.038 2.226 1.00 0.00 O ATOM 1441 CB LEU A 100 5.088 3.208 -0.326 1.00 0.00 C ATOM 1442 CG LEU A 100 4.347 4.544 -0.252 1.00 0.00 C ATOM 1443 CD1 LEU A 100 4.942 5.556 -1.233 1.00 0.00 C ATOM 1444 CD2 LEU A 100 2.844 4.351 -0.469 1.00 0.00 C ATOM 0 H LEU A 100 6.974 1.434 0.994 1.00 0.00 H new ATOM 0 HA LEU A 100 7.054 3.800 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.980 2.811 -1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.597 2.505 0.347 1.00 0.00 H new ATOM 0 HG LEU A 100 4.478 4.952 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.397 6.497 -1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.991 5.725 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.862 5.168 -2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.341 5.316 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.672 3.910 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.447 3.689 0.301 1.00 0.00 H new ATOM 1456 N TYR A 101 8.085 4.557 1.369 1.00 0.00 N ATOM 1457 CA TYR A 101 8.515 5.298 2.542 1.00 0.00 C ATOM 1458 C TYR A 101 7.610 6.507 2.789 1.00 0.00 C ATOM 1459 O TYR A 101 7.785 7.554 2.167 1.00 0.00 O ATOM 1460 CB TYR A 101 9.931 5.789 2.235 1.00 0.00 C ATOM 1461 CG TYR A 101 10.948 4.665 2.028 1.00 0.00 C ATOM 1462 CD1 TYR A 101 11.432 3.964 3.113 1.00 0.00 C ATOM 1463 CD2 TYR A 101 11.382 4.353 0.756 1.00 0.00 C ATOM 1464 CE1 TYR A 101 12.389 2.906 2.918 1.00 0.00 C ATOM 1465 CE2 TYR A 101 12.339 3.295 0.560 1.00 0.00 C ATOM 1466 CZ TYR A 101 12.795 2.624 1.651 1.00 0.00 C ATOM 1467 OH TYR A 101 13.700 1.625 1.467 1.00 0.00 O ATOM 0 H TYR A 101 8.771 4.516 0.615 1.00 0.00 H new ATOM 0 HA TYR A 101 8.475 4.668 3.430 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.903 6.409 1.339 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.269 6.425 3.053 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.093 4.209 4.109 1.00 0.00 H new ATOM 0 HD2 TYR A 101 11.004 4.903 -0.093 1.00 0.00 H new ATOM 0 HE1 TYR A 101 12.776 2.349 3.759 1.00 0.00 H new ATOM 0 HE2 TYR A 101 12.686 3.040 -0.430 1.00 0.00 H new ATOM 0 HH TYR A 101 13.897 1.534 0.511 1.00 0.00 H new ATOM 1477 N LEU A 102 6.664 6.323 3.697 1.00 0.00 N ATOM 1478 CA LEU A 102 5.732 7.386 4.034 1.00 0.00 C ATOM 1479 C LEU A 102 6.469 8.727 4.021 1.00 0.00 C ATOM 1480 O LEU A 102 6.097 9.636 3.281 1.00 0.00 O ATOM 1481 CB LEU A 102 5.030 7.083 5.359 1.00 0.00 C ATOM 1482 CG LEU A 102 3.503 6.997 5.304 1.00 0.00 C ATOM 1483 CD1 LEU A 102 3.005 5.684 5.911 1.00 0.00 C ATOM 1484 CD2 LEU A 102 2.861 8.216 5.970 1.00 0.00 C ATOM 0 H LEU A 102 6.522 5.453 4.210 1.00 0.00 H new ATOM 0 HA LEU A 102 4.940 7.449 3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.414 6.138 5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.305 7.855 6.078 1.00 0.00 H new ATOM 0 HG LEU A 102 3.198 7.004 4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.917 5.649 5.859 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.422 4.845 5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.321 5.622 6.952 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.776 8.130 5.917 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.171 8.266 7.014 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.179 9.122 5.454 1.00 0.00 H new ATOM 1496 N VAL A 103 7.500 8.808 4.849 1.00 0.00 N ATOM 1497 CA VAL A 103 8.292 10.022 4.942 1.00 0.00 C ATOM 1498 C VAL A 103 9.624 9.707 5.626 1.00 0.00 C ATOM 1499 O VAL A 103 9.841 8.585 6.081 1.00 0.00 O ATOM 1500 CB VAL A 103 7.495 11.113 5.660 1.00 0.00 C ATOM 1501 CG1 VAL A 103 7.364 10.804 7.152 1.00 0.00 C ATOM 1502 CG2 VAL A 103 8.125 12.489 5.438 1.00 0.00 C ATOM 0 H VAL A 103 7.805 8.052 5.462 1.00 0.00 H new ATOM 0 HA VAL A 103 8.520 10.405 3.948 1.00 0.00 H new ATOM 0 HB VAL A 103 6.492 11.131 5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.793 11.595 7.639 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.849 9.852 7.283 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.356 10.744 7.600 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.539 13.246 5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.144 12.489 5.825 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.142 12.714 4.372 1.00 0.00 H new ATOM 1512 N ASN A 104 10.480 10.716 5.676 1.00 0.00 N ATOM 1513 CA ASN A 104 11.785 10.560 6.297 1.00 0.00 C ATOM 1514 C ASN A 104 12.399 9.230 5.856 1.00 0.00 C ATOM 1515 O ASN A 104 13.107 8.584 6.626 1.00 0.00 O ATOM 1516 CB ASN A 104 11.670 10.545 7.823 1.00 0.00 C ATOM 1517 CG ASN A 104 12.499 11.671 8.446 1.00 0.00 C ATOM 1518 OD1 ASN A 104 13.698 11.560 8.639 1.00 0.00 O ATOM 1519 ND2 ASN A 104 11.794 12.757 8.748 1.00 0.00 N ATOM 0 H ASN A 104 10.296 11.645 5.297 1.00 0.00 H new ATOM 0 HA ASN A 104 12.407 11.401 5.990 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.625 10.654 8.114 1.00 0.00 H new ATOM 0 HB3 ASN A 104 12.009 9.583 8.208 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.255 13.564 9.168 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.792 12.783 8.560 1.00 0.00 H new ATOM 1526 N GLY A 105 12.106 8.861 4.618 1.00 0.00 N ATOM 1527 CA GLY A 105 12.620 7.620 4.065 1.00 0.00 C ATOM 1528 C GLY A 105 12.415 6.459 5.040 1.00 0.00 C ATOM 1529 O GLY A 105 13.114 5.449 4.965 1.00 0.00 O ATOM 0 H GLY A 105 11.519 9.400 3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 105 12.117 7.402 3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.681 7.729 3.842 1.00 0.00 H new ATOM 1533 N LEU A 106 11.452 6.640 5.932 1.00 0.00 N ATOM 1534 CA LEU A 106 11.146 5.620 6.921 1.00 0.00 C ATOM 1535 C LEU A 106 9.695 5.168 6.747 1.00 0.00 C ATOM 1536 O LEU A 106 9.037 5.538 5.776 1.00 0.00 O ATOM 1537 CB LEU A 106 11.468 6.125 8.329 1.00 0.00 C ATOM 1538 CG LEU A 106 12.953 6.196 8.692 1.00 0.00 C ATOM 1539 CD1 LEU A 106 13.143 6.688 10.128 1.00 0.00 C ATOM 1540 CD2 LEU A 106 13.642 4.851 8.451 1.00 0.00 C ATOM 0 H LEU A 106 10.873 7.478 5.991 1.00 0.00 H new ATOM 0 HA LEU A 106 11.775 4.742 6.771 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.038 7.120 8.444 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.969 5.477 9.049 1.00 0.00 H new ATOM 0 HG LEU A 106 13.430 6.924 8.036 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.207 6.729 10.361 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.710 7.683 10.232 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.648 6.003 10.816 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.696 4.929 8.717 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.169 4.085 9.065 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.552 4.580 7.399 1.00 0.00 H new ATOM 1552 N TYR A 107 9.238 4.373 7.704 1.00 0.00 N ATOM 1553 CA TYR A 107 7.877 3.866 7.669 1.00 0.00 C ATOM 1554 C TYR A 107 7.534 3.310 6.285 1.00 0.00 C ATOM 1555 O TYR A 107 6.610 3.792 5.630 1.00 0.00 O ATOM 1556 CB TYR A 107 6.972 5.064 7.963 1.00 0.00 C ATOM 1557 CG TYR A 107 7.571 6.068 8.951 1.00 0.00 C ATOM 1558 CD1 TYR A 107 7.976 5.647 10.201 1.00 0.00 C ATOM 1559 CD2 TYR A 107 7.705 7.394 8.591 1.00 0.00 C ATOM 1560 CE1 TYR A 107 8.539 6.592 11.131 1.00 0.00 C ATOM 1561 CE2 TYR A 107 8.268 8.338 9.521 1.00 0.00 C ATOM 1562 CZ TYR A 107 8.657 7.890 10.745 1.00 0.00 C ATOM 1563 OH TYR A 107 9.189 8.782 11.623 1.00 0.00 O ATOM 0 H TYR A 107 9.786 4.068 8.508 1.00 0.00 H new ATOM 0 HA TYR A 107 7.750 3.059 8.391 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.751 5.578 7.027 1.00 0.00 H new ATOM 0 HB3 TYR A 107 6.023 4.701 8.359 1.00 0.00 H new ATOM 0 HD1 TYR A 107 7.871 4.609 10.482 1.00 0.00 H new ATOM 0 HD2 TYR A 107 7.388 7.723 7.612 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.860 6.276 12.113 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.379 9.378 9.253 1.00 0.00 H new ATOM 0 HH TYR A 107 9.213 9.671 11.212 1.00 0.00 H new ATOM 1573 N PRO A 108 8.316 2.278 5.870 1.00 0.00 N ATOM 1574 CA PRO A 108 8.104 1.652 4.576 1.00 0.00 C ATOM 1575 C PRO A 108 6.867 0.752 4.598 1.00 0.00 C ATOM 1576 O PRO A 108 6.747 -0.123 5.454 1.00 0.00 O ATOM 1577 CB PRO A 108 9.389 0.890 4.293 1.00 0.00 C ATOM 1578 CG PRO A 108 10.086 0.735 5.634 1.00 0.00 C ATOM 1579 CD PRO A 108 9.418 1.682 6.619 1.00 0.00 C ATOM 0 HA PRO A 108 7.903 2.376 3.786 1.00 0.00 H new ATOM 0 HB2 PRO A 108 9.177 -0.082 3.849 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.017 1.433 3.587 1.00 0.00 H new ATOM 0 HG2 PRO A 108 10.014 -0.294 5.985 1.00 0.00 H new ATOM 0 HG3 PRO A 108 11.147 0.966 5.542 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.057 1.149 7.498 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.114 2.443 6.972 1.00 0.00 H new ATOM 1587 N LEU A 109 5.979 0.997 3.646 1.00 0.00 N ATOM 1588 CA LEU A 109 4.756 0.219 3.546 1.00 0.00 C ATOM 1589 C LEU A 109 4.872 -0.757 2.374 1.00 0.00 C ATOM 1590 O LEU A 109 4.475 -0.439 1.254 1.00 0.00 O ATOM 1591 CB LEU A 109 3.539 1.143 3.458 1.00 0.00 C ATOM 1592 CG LEU A 109 3.114 1.817 4.764 1.00 0.00 C ATOM 1593 CD1 LEU A 109 2.666 0.781 5.796 1.00 0.00 C ATOM 1594 CD2 LEU A 109 4.226 2.719 5.303 1.00 0.00 C ATOM 0 H LEU A 109 6.082 1.723 2.937 1.00 0.00 H new ATOM 0 HA LEU A 109 4.610 -0.378 4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.750 1.920 2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.696 0.566 3.079 1.00 0.00 H new ATOM 0 HG LEU A 109 2.255 2.455 4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.369 1.287 6.715 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.820 0.218 5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.489 0.099 6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.898 3.186 6.232 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.119 2.123 5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.455 3.492 4.570 1.00 0.00 H new ATOM 1606 N THR A 110 5.419 -1.927 2.672 1.00 0.00 N ATOM 1607 CA THR A 110 5.593 -2.952 1.657 1.00 0.00 C ATOM 1608 C THR A 110 4.235 -3.395 1.108 1.00 0.00 C ATOM 1609 O THR A 110 3.318 -3.689 1.874 1.00 0.00 O ATOM 1610 CB THR A 110 6.402 -4.095 2.273 1.00 0.00 C ATOM 1611 OG1 THR A 110 7.620 -3.478 2.681 1.00 0.00 O ATOM 1612 CG2 THR A 110 6.838 -5.130 1.234 1.00 0.00 C ATOM 0 H THR A 110 5.747 -2.188 3.602 1.00 0.00 H new ATOM 0 HA THR A 110 6.146 -2.569 0.799 1.00 0.00 H new ATOM 0 HB THR A 110 5.809 -4.584 3.046 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.204 -4.148 3.093 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.409 -5.919 1.724 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.957 -5.561 0.758 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.459 -4.648 0.479 1.00 0.00 H new ATOM 1620 N LEU A 111 4.149 -3.429 -0.213 1.00 0.00 N ATOM 1621 CA LEU A 111 2.919 -3.832 -0.873 1.00 0.00 C ATOM 1622 C LEU A 111 2.847 -5.360 -0.921 1.00 0.00 C ATOM 1623 O LEU A 111 3.786 -6.015 -1.371 1.00 0.00 O ATOM 1624 CB LEU A 111 2.805 -3.168 -2.247 1.00 0.00 C ATOM 1625 CG LEU A 111 1.741 -3.742 -3.184 1.00 0.00 C ATOM 1626 CD1 LEU A 111 0.387 -3.845 -2.478 1.00 0.00 C ATOM 1627 CD2 LEU A 111 1.652 -2.929 -4.477 1.00 0.00 C ATOM 0 H LEU A 111 4.911 -3.184 -0.845 1.00 0.00 H new ATOM 0 HA LEU A 111 2.053 -3.489 -0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.597 -2.108 -2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.773 -3.237 -2.743 1.00 0.00 H new ATOM 0 HG LEU A 111 2.039 -4.754 -3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.352 -4.256 -3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.478 -4.499 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.069 -2.854 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.888 -3.359 -5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.390 -1.898 -4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.615 -2.951 -4.987 1.00 0.00 H new ATOM 1639 N ARG A 112 1.724 -5.882 -0.451 1.00 0.00 N ATOM 1640 CA ARG A 112 1.518 -7.320 -0.435 1.00 0.00 C ATOM 1641 C ARG A 112 0.156 -7.668 -1.039 1.00 0.00 C ATOM 1642 O ARG A 112 -0.747 -6.833 -1.064 1.00 0.00 O ATOM 1643 CB ARG A 112 1.591 -7.871 0.991 1.00 0.00 C ATOM 1644 CG ARG A 112 3.021 -7.805 1.531 1.00 0.00 C ATOM 1645 CD ARG A 112 3.908 -8.858 0.866 1.00 0.00 C ATOM 1646 NE ARG A 112 5.326 -8.622 1.218 1.00 0.00 N ATOM 1647 CZ ARG A 112 6.328 -9.452 0.898 1.00 0.00 C ATOM 1648 NH1 ARG A 112 6.074 -10.578 0.218 1.00 0.00 N ATOM 1649 NH2 ARG A 112 7.585 -9.156 1.259 1.00 0.00 N ATOM 0 H ARG A 112 0.948 -5.335 -0.079 1.00 0.00 H new ATOM 0 HA ARG A 112 2.310 -7.775 -1.030 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.927 -7.300 1.640 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.241 -8.903 1.004 1.00 0.00 H new ATOM 0 HG2 ARG A 112 3.435 -6.812 1.354 1.00 0.00 H new ATOM 0 HG3 ARG A 112 3.013 -7.960 2.610 1.00 0.00 H new ATOM 0 HD2 ARG A 112 3.606 -9.855 1.187 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.782 -8.820 -0.216 1.00 0.00 H new ATOM 0 HE ARG A 112 5.555 -7.774 1.737 1.00 0.00 H new ATOM 0 HH11 ARG A 112 5.118 -10.803 -0.056 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.837 -11.210 -0.026 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.778 -8.299 1.777 1.00 0.00 H new ATOM 0 HH22 ARG A 112 8.348 -9.788 1.015 1.00 0.00 H new ATOM 1663 N TRP A 113 0.050 -8.902 -1.510 1.00 0.00 N ATOM 1664 CA TRP A 113 -1.187 -9.370 -2.112 1.00 0.00 C ATOM 1665 C TRP A 113 -1.706 -10.541 -1.275 1.00 0.00 C ATOM 1666 O TRP A 113 -0.921 -11.300 -0.708 1.00 0.00 O ATOM 1667 CB TRP A 113 -0.977 -9.733 -3.583 1.00 0.00 C ATOM 1668 CG TRP A 113 -2.033 -10.687 -4.145 1.00 0.00 C ATOM 1669 CD1 TRP A 113 -2.173 -11.998 -3.904 1.00 0.00 C ATOM 1670 CD2 TRP A 113 -3.098 -10.348 -5.059 1.00 0.00 C ATOM 1671 NE1 TRP A 113 -3.246 -12.527 -4.592 1.00 0.00 N ATOM 1672 CE2 TRP A 113 -3.826 -11.492 -5.317 1.00 0.00 C ATOM 1673 CE3 TRP A 113 -3.435 -9.117 -5.647 1.00 0.00 C ATOM 1674 CZ2 TRP A 113 -4.937 -11.517 -6.168 1.00 0.00 C ATOM 1675 CZ3 TRP A 113 -4.547 -9.159 -6.496 1.00 0.00 C ATOM 1676 CH2 TRP A 113 -5.291 -10.302 -6.766 1.00 0.00 C ATOM 0 H TRP A 113 0.801 -9.592 -1.487 1.00 0.00 H new ATOM 0 HA TRP A 113 -1.939 -8.581 -2.112 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -0.976 -8.818 -4.176 1.00 0.00 H new ATOM 0 HB3 TRP A 113 0.007 -10.188 -3.698 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -1.527 -12.569 -3.253 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -3.556 -13.498 -4.572 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.880 -8.210 -5.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.491 -12.425 -6.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -4.848 -8.239 -6.975 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.138 -10.253 -7.434 1.00 0.00 H new ATOM 1687 N SER A 114 -3.026 -10.650 -1.224 1.00 0.00 N ATOM 1688 CA SER A 114 -3.659 -11.716 -0.466 1.00 0.00 C ATOM 1689 C SER A 114 -4.077 -12.849 -1.405 1.00 0.00 C ATOM 1690 O SER A 114 -4.647 -12.602 -2.466 1.00 0.00 O ATOM 1691 CB SER A 114 -4.871 -11.195 0.310 1.00 0.00 C ATOM 1692 OG SER A 114 -5.012 -11.836 1.574 1.00 0.00 O ATOM 0 H SER A 114 -3.674 -10.018 -1.695 1.00 0.00 H new ATOM 0 HA SER A 114 -2.937 -12.098 0.255 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.772 -10.120 0.458 1.00 0.00 H new ATOM 0 HB3 SER A 114 -5.774 -11.353 -0.279 1.00 0.00 H new ATOM 0 HG SER A 114 -5.796 -11.474 2.039 1.00 0.00 H new ATOM 1698 N GLY A 115 -3.778 -14.068 -0.980 1.00 0.00 N ATOM 1699 CA GLY A 115 -4.115 -15.240 -1.769 1.00 0.00 C ATOM 1700 C GLY A 115 -3.311 -16.459 -1.313 1.00 0.00 C ATOM 1701 O GLY A 115 -2.334 -16.323 -0.579 1.00 0.00 O ATOM 0 H GLY A 115 -3.306 -14.269 -0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.181 -15.449 -1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -3.917 -15.043 -2.822 1.00 0.00 H new ATOM 1705 N PRO A 116 -3.763 -17.653 -1.780 1.00 0.00 N ATOM 1706 CA PRO A 116 -3.096 -18.895 -1.428 1.00 0.00 C ATOM 1707 C PRO A 116 -1.785 -19.051 -2.200 1.00 0.00 C ATOM 1708 O PRO A 116 -1.717 -18.736 -3.387 1.00 0.00 O ATOM 1709 CB PRO A 116 -4.105 -19.987 -1.745 1.00 0.00 C ATOM 1710 CG PRO A 116 -5.116 -19.359 -2.691 1.00 0.00 C ATOM 1711 CD PRO A 116 -4.917 -17.852 -2.652 1.00 0.00 C ATOM 0 HA PRO A 116 -2.804 -18.933 -0.378 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -3.619 -20.846 -2.207 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -4.590 -20.346 -0.837 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.977 -19.736 -3.704 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.131 -19.618 -2.391 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -4.734 -17.451 -3.649 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -5.800 -17.346 -2.262 1.00 0.00 H new ATOM 1719 N SER A 117 -0.774 -19.537 -1.494 1.00 0.00 N ATOM 1720 CA SER A 117 0.532 -19.739 -2.098 1.00 0.00 C ATOM 1721 C SER A 117 1.121 -18.395 -2.531 1.00 0.00 C ATOM 1722 O SER A 117 0.747 -17.856 -3.572 1.00 0.00 O ATOM 1723 CB SER A 117 0.445 -20.690 -3.293 1.00 0.00 C ATOM 1724 OG SER A 117 1.728 -20.968 -3.848 1.00 0.00 O ATOM 0 H SER A 117 -0.833 -19.797 -0.509 1.00 0.00 H new ATOM 0 HA SER A 117 1.187 -20.193 -1.354 1.00 0.00 H new ATOM 0 HB2 SER A 117 -0.025 -21.623 -2.981 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.194 -20.252 -4.059 1.00 0.00 H new ATOM 0 HG SER A 117 1.630 -21.580 -4.607 1.00 0.00 H new ATOM 1730 N SER A 118 2.033 -17.893 -1.711 1.00 0.00 N ATOM 1731 CA SER A 118 2.678 -16.622 -1.997 1.00 0.00 C ATOM 1732 C SER A 118 4.183 -16.731 -1.746 1.00 0.00 C ATOM 1733 O SER A 118 4.608 -17.102 -0.653 1.00 0.00 O ATOM 1734 CB SER A 118 2.078 -15.498 -1.150 1.00 0.00 C ATOM 1735 OG SER A 118 2.618 -15.478 0.169 1.00 0.00 O ATOM 0 H SER A 118 2.341 -18.343 -0.849 1.00 0.00 H new ATOM 0 HA SER A 118 2.508 -16.380 -3.046 1.00 0.00 H new ATOM 0 HB2 SER A 118 2.266 -14.539 -1.634 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.996 -15.621 -1.097 1.00 0.00 H new ATOM 0 HG SER A 118 3.379 -16.093 0.220 1.00 0.00 H new ATOM 1741 N GLY A 119 4.948 -16.401 -2.777 1.00 0.00 N ATOM 1742 CA GLY A 119 6.396 -16.457 -2.681 1.00 0.00 C ATOM 1743 C GLY A 119 6.982 -17.365 -3.765 1.00 0.00 C ATOM 1744 O GLY A 119 6.686 -17.198 -4.947 1.00 0.00 O ATOM 0 H GLY A 119 4.592 -16.094 -3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 119 6.810 -15.453 -2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 119 6.685 -16.826 -1.697 1.00 0.00 H new TER 1748 GLY A 119