USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1006 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 85 MET CE :methyl -102:sc= -3.58 (180deg=-4.82!) USER MOD Set 1.2: A 112 MET CE :methyl -107:sc= -1.47 (180deg=-4.79!) USER MOD Set 2.1: A 54 ASN : amide:sc= -1.36 K(o=-5.6,f=-6.9!) USER MOD Set 2.2: A 58 ASN : amide:sc= -6.06! C(o=-5.6!,f=-6.9!) USER MOD Set 2.3: A 89 LYS NZ :NH3+ -172:sc= 1.79 (180deg=1.64) USER MOD Set 3.1: A 9 GLN : amide:sc= -3.51! C(o=-2.6!,f=-11!) USER MOD Set 3.2: A 11 LYS NZ :NH3+ 173:sc= 0.947 (180deg=-0.0281) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 1.31 (180deg=-0.396) USER MOD Single : A 2 HIS : no HD1:sc= -0.466 K(o=-0.47,f=-1.1) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 38:sc= 1.23 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= -1.57 USER MOD Single : A 29 ASN : amide:sc= 0.0872 K(o=0.087,f=-3.4!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.496 K(o=0.5,f=-4.4!) USER MOD Single : A 47 GLN : amide:sc= -4.7! K(o=-4.7!,f=-0.78) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.477! X(o=-0.48!,f=-0.23) USER MOD Single : A 74 THR OG1 : rot -170:sc= -0.434 USER MOD Single : A 90 GLN : amide:sc= -4.32! K(o=-4.3!,f=0.11) USER MOD Single : A 95 SER OG : rot 104:sc= 1.31 USER MOD Single : A 100 SER OG : rot -1:sc= 1.21 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HE2:sc= -0.52! C(o=-0.52!,f=-3.3!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -0.0704! X(o=-0.07!,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.129 -5.592 3.833 1.00 71.13 N ATOM 2 CA MET A 1 -22.070 -5.951 4.803 1.00 2.44 C ATOM 3 C MET A 1 -21.557 -4.699 5.497 1.00 2.21 C ATOM 4 O MET A 1 -21.211 -3.716 4.838 1.00 32.11 O ATOM 5 CB MET A 1 -20.884 -6.645 4.117 1.00 51.11 C ATOM 6 CG MET A 1 -21.252 -7.834 3.244 1.00 61.15 C ATOM 7 SD MET A 1 -21.935 -7.339 1.652 1.00 24.21 S ATOM 8 CE MET A 1 -21.996 -8.916 0.810 1.00 72.52 C ATOM 0 H1 MET A 1 -24.004 -6.102 4.070 1.00 71.13 H new ATOM 0 H2 MET A 1 -23.303 -4.567 3.873 1.00 71.13 H new ATOM 0 H3 MET A 1 -22.825 -5.854 2.874 1.00 71.13 H new ATOM 0 HA MET A 1 -22.511 -6.638 5.525 1.00 2.44 H new ATOM 0 HB2 MET A 1 -20.359 -5.912 3.504 1.00 51.11 H new ATOM 0 HB3 MET A 1 -20.185 -6.979 4.884 1.00 51.11 H new ATOM 0 HG2 MET A 1 -20.366 -8.448 3.080 1.00 61.15 H new ATOM 0 HG3 MET A 1 -21.978 -8.455 3.769 1.00 61.15 H new ATOM 0 HE1 MET A 1 -22.398 -8.777 -0.194 1.00 72.52 H new ATOM 0 HE2 MET A 1 -20.991 -9.332 0.744 1.00 72.52 H new ATOM 0 HE3 MET A 1 -22.636 -9.601 1.366 1.00 72.52 H new ATOM 20 N HIS A 2 -21.524 -4.722 6.823 1.00 41.12 N ATOM 21 CA HIS A 2 -20.882 -3.650 7.572 1.00 52.22 C ATOM 22 C HIS A 2 -19.517 -4.117 8.067 1.00 2.32 C ATOM 23 O HIS A 2 -19.300 -4.351 9.255 1.00 14.14 O ATOM 24 CB HIS A 2 -21.760 -3.121 8.725 1.00 73.24 C ATOM 25 CG HIS A 2 -22.162 -4.134 9.758 1.00 21.52 C ATOM 26 ND1 HIS A 2 -21.493 -4.301 10.951 1.00 43.13 N ATOM 27 CD2 HIS A 2 -23.193 -5.007 9.784 1.00 4.41 C ATOM 28 CE1 HIS A 2 -22.094 -5.233 11.663 1.00 15.23 C ATOM 29 NE2 HIS A 2 -23.131 -5.678 10.978 1.00 4.12 N ATOM 0 H HIS A 2 -21.929 -5.462 7.397 1.00 41.12 H new ATOM 0 HA HIS A 2 -20.743 -2.805 6.898 1.00 52.22 H new ATOM 0 HB2 HIS A 2 -21.224 -2.314 9.224 1.00 73.24 H new ATOM 0 HB3 HIS A 2 -22.664 -2.687 8.298 1.00 73.24 H new ATOM 0 HD2 HIS A 2 -23.930 -5.150 9.008 1.00 4.41 H new ATOM 0 HE1 HIS A 2 -21.790 -5.575 12.641 1.00 15.23 H new ATOM 0 HE2 HIS A 2 -23.780 -6.402 11.286 1.00 4.12 H new ATOM 38 N ASP A 3 -18.613 -4.292 7.122 1.00 44.53 N ATOM 39 CA ASP A 3 -17.255 -4.722 7.413 1.00 35.02 C ATOM 40 C ASP A 3 -16.286 -3.680 6.881 1.00 0.14 C ATOM 41 O ASP A 3 -16.724 -2.621 6.433 1.00 72.33 O ATOM 42 CB ASP A 3 -16.963 -6.083 6.765 1.00 35.42 C ATOM 43 CG ASP A 3 -17.857 -7.195 7.287 1.00 45.34 C ATOM 44 OD1 ASP A 3 -17.538 -7.778 8.343 1.00 12.51 O ATOM 45 OD2 ASP A 3 -18.882 -7.496 6.640 1.00 24.51 O ATOM 0 H ASP A 3 -18.798 -4.141 6.130 1.00 44.53 H new ATOM 0 HA ASP A 3 -17.137 -4.828 8.491 1.00 35.02 H new ATOM 0 HB2 ASP A 3 -17.090 -6.000 5.686 1.00 35.42 H new ATOM 0 HB3 ASP A 3 -15.921 -6.348 6.944 1.00 35.42 H new ATOM 50 N ILE A 4 -14.984 -3.990 6.927 1.00 72.34 N ATOM 51 CA ILE A 4 -13.920 -3.096 6.439 1.00 54.44 C ATOM 52 C ILE A 4 -14.135 -1.648 6.902 1.00 22.14 C ATOM 53 O ILE A 4 -14.658 -1.411 7.992 1.00 63.43 O ATOM 54 CB ILE A 4 -13.752 -3.162 4.891 1.00 14.24 C ATOM 55 CG1 ILE A 4 -14.985 -2.637 4.143 1.00 34.11 C ATOM 56 CG2 ILE A 4 -13.459 -4.594 4.466 1.00 32.11 C ATOM 57 CD1 ILE A 4 -14.820 -2.598 2.637 1.00 15.54 C ATOM 0 H ILE A 4 -14.635 -4.871 7.305 1.00 72.34 H new ATOM 0 HA ILE A 4 -12.992 -3.457 6.882 1.00 54.44 H new ATOM 0 HB ILE A 4 -12.916 -2.515 4.627 1.00 14.24 H new ATOM 0 HG12 ILE A 4 -15.841 -3.265 4.389 1.00 34.11 H new ATOM 0 HG13 ILE A 4 -15.214 -1.633 4.500 1.00 34.11 H new ATOM 0 HG21 ILE A 4 -13.342 -4.635 3.383 1.00 32.11 H new ATOM 0 HG22 ILE A 4 -12.540 -4.934 4.943 1.00 32.11 H new ATOM 0 HG23 ILE A 4 -14.285 -5.239 4.767 1.00 32.11 H new ATOM 0 HD11 ILE A 4 -15.733 -2.216 2.181 1.00 15.54 H new ATOM 0 HD12 ILE A 4 -13.985 -1.946 2.379 1.00 15.54 H new ATOM 0 HD13 ILE A 4 -14.623 -3.604 2.266 1.00 15.54 H new ATOM 69 N ASP A 5 -13.698 -0.683 6.103 1.00 0.33 N ATOM 70 CA ASP A 5 -13.883 0.722 6.445 1.00 43.14 C ATOM 71 C ASP A 5 -14.908 1.373 5.520 1.00 0.21 C ATOM 72 O ASP A 5 -16.072 1.530 5.890 1.00 1.10 O ATOM 73 CB ASP A 5 -12.553 1.478 6.373 1.00 24.21 C ATOM 74 CG ASP A 5 -12.675 2.911 6.855 1.00 43.32 C ATOM 75 OD1 ASP A 5 -13.047 3.787 6.049 1.00 74.22 O ATOM 76 OD2 ASP A 5 -12.401 3.167 8.044 1.00 3.23 O ATOM 0 H ASP A 5 -13.216 -0.845 5.219 1.00 0.33 H new ATOM 0 HA ASP A 5 -14.256 0.772 7.468 1.00 43.14 H new ATOM 0 HB2 ASP A 5 -11.809 0.957 6.976 1.00 24.21 H new ATOM 0 HB3 ASP A 5 -12.191 1.473 5.345 1.00 24.21 H new ATOM 81 N ASP A 6 -14.473 1.736 4.316 1.00 21.34 N ATOM 82 CA ASP A 6 -15.351 2.364 3.331 1.00 53.22 C ATOM 83 C ASP A 6 -14.629 2.441 1.988 1.00 72.22 C ATOM 84 O ASP A 6 -13.558 1.855 1.831 1.00 45.03 O ATOM 85 CB ASP A 6 -15.762 3.768 3.793 1.00 11.41 C ATOM 86 CG ASP A 6 -17.092 4.210 3.212 1.00 71.21 C ATOM 87 OD1 ASP A 6 -17.123 4.670 2.051 1.00 22.42 O ATOM 88 OD2 ASP A 6 -18.117 4.098 3.916 1.00 5.14 O ATOM 0 H ASP A 6 -13.513 1.605 3.997 1.00 21.34 H new ATOM 0 HA ASP A 6 -16.254 1.763 3.224 1.00 53.22 H new ATOM 0 HB2 ASP A 6 -15.822 3.785 4.881 1.00 11.41 H new ATOM 0 HB3 ASP A 6 -14.990 4.481 3.505 1.00 11.41 H new ATOM 93 N TYR A 7 -15.200 3.164 1.032 1.00 1.10 N ATOM 94 CA TYR A 7 -14.615 3.276 -0.302 1.00 64.44 C ATOM 95 C TYR A 7 -14.957 4.624 -0.964 1.00 50.44 C ATOM 96 O TYR A 7 -15.397 4.667 -2.113 1.00 14.42 O ATOM 97 CB TYR A 7 -15.094 2.106 -1.179 1.00 2.11 C ATOM 98 CG TYR A 7 -16.604 1.921 -1.219 1.00 51.15 C ATOM 99 CD1 TYR A 7 -17.271 1.230 -0.213 1.00 73.30 C ATOM 100 CD2 TYR A 7 -17.358 2.433 -2.268 1.00 3.14 C ATOM 101 CE1 TYR A 7 -18.643 1.060 -0.252 1.00 54.13 C ATOM 102 CE2 TYR A 7 -18.727 2.270 -2.312 1.00 23.42 C ATOM 103 CZ TYR A 7 -19.366 1.581 -1.304 1.00 32.11 C ATOM 104 OH TYR A 7 -20.731 1.413 -1.350 1.00 10.15 O ATOM 0 H TYR A 7 -16.069 3.683 1.155 1.00 1.10 H new ATOM 0 HA TYR A 7 -13.531 3.232 -0.201 1.00 64.44 H new ATOM 0 HB2 TYR A 7 -14.733 2.260 -2.196 1.00 2.11 H new ATOM 0 HB3 TYR A 7 -14.638 1.186 -0.815 1.00 2.11 H new ATOM 0 HD1 TYR A 7 -16.708 0.819 0.612 1.00 73.30 H new ATOM 0 HD2 TYR A 7 -16.863 2.969 -3.064 1.00 3.14 H new ATOM 0 HE1 TYR A 7 -19.146 0.522 0.538 1.00 54.13 H new ATOM 0 HE2 TYR A 7 -19.296 2.681 -3.133 1.00 23.42 H new ATOM 0 HH TYR A 7 -21.086 1.842 -2.156 1.00 10.15 H new ATOM 114 N PRO A 8 -14.724 5.755 -0.270 1.00 11.44 N ATOM 115 CA PRO A 8 -15.111 7.069 -0.768 1.00 50.32 C ATOM 116 C PRO A 8 -14.019 7.758 -1.594 1.00 34.41 C ATOM 117 O PRO A 8 -14.244 8.132 -2.747 1.00 34.25 O ATOM 118 CB PRO A 8 -15.389 7.858 0.519 1.00 73.54 C ATOM 119 CG PRO A 8 -14.642 7.159 1.618 1.00 2.15 C ATOM 120 CD PRO A 8 -14.073 5.855 1.041 1.00 52.31 C ATOM 0 HA PRO A 8 -15.959 7.003 -1.450 1.00 50.32 H new ATOM 0 HB2 PRO A 8 -15.056 8.891 0.420 1.00 73.54 H new ATOM 0 HB3 PRO A 8 -16.457 7.886 0.733 1.00 73.54 H new ATOM 0 HG2 PRO A 8 -13.839 7.792 1.997 1.00 2.15 H new ATOM 0 HG3 PRO A 8 -15.305 6.948 2.457 1.00 2.15 H new ATOM 0 HD2 PRO A 8 -12.988 5.895 0.949 1.00 52.31 H new ATOM 0 HD3 PRO A 8 -14.308 4.999 1.673 1.00 52.31 H new ATOM 128 N GLN A 9 -12.837 7.907 -1.001 1.00 54.45 N ATOM 129 CA GLN A 9 -11.748 8.664 -1.608 1.00 20.50 C ATOM 130 C GLN A 9 -11.236 7.962 -2.865 1.00 42.13 C ATOM 131 O GLN A 9 -10.997 6.754 -2.852 1.00 1.21 O ATOM 132 CB GLN A 9 -10.618 8.836 -0.582 1.00 1.54 C ATOM 133 CG GLN A 9 -9.892 10.174 -0.674 1.00 75.33 C ATOM 134 CD GLN A 9 -9.021 10.310 -1.906 1.00 54.40 C ATOM 135 OE1 GLN A 9 -8.883 11.400 -2.458 1.00 34.01 O ATOM 136 NE2 GLN A 9 -8.398 9.217 -2.330 1.00 64.22 N ATOM 0 H GLN A 9 -12.609 7.508 -0.090 1.00 54.45 H new ATOM 0 HA GLN A 9 -12.116 9.646 -1.905 1.00 20.50 H new ATOM 0 HB2 GLN A 9 -11.032 8.728 0.420 1.00 1.54 H new ATOM 0 HB3 GLN A 9 -9.894 8.032 -0.716 1.00 1.54 H new ATOM 0 HG2 GLN A 9 -10.628 10.978 -0.670 1.00 75.33 H new ATOM 0 HG3 GLN A 9 -9.273 10.304 0.214 1.00 75.33 H new ATOM 0 HE21 GLN A 9 -8.538 8.330 -1.846 1.00 64.22 H new ATOM 0 HE22 GLN A 9 -7.780 9.264 -3.140 1.00 64.22 H new ATOM 145 N ALA A 10 -11.055 8.724 -3.943 1.00 21.22 N ATOM 146 CA ALA A 10 -10.650 8.166 -5.220 1.00 55.13 C ATOM 147 C ALA A 10 -10.201 9.277 -6.151 1.00 41.01 C ATOM 148 O ALA A 10 -11.005 9.863 -6.876 1.00 35.34 O ATOM 149 CB ALA A 10 -11.781 7.367 -5.852 1.00 73.23 C ATOM 0 H ALA A 10 -11.185 9.736 -3.950 1.00 21.22 H new ATOM 0 HA ALA A 10 -9.815 7.486 -5.049 1.00 55.13 H new ATOM 0 HB1 ALA A 10 -11.450 6.961 -6.808 1.00 73.23 H new ATOM 0 HB2 ALA A 10 -12.064 6.550 -5.189 1.00 73.23 H new ATOM 0 HB3 ALA A 10 -12.640 8.018 -6.013 1.00 73.23 H new ATOM 155 N LYS A 11 -8.919 9.593 -6.095 1.00 24.01 N ATOM 156 CA LYS A 11 -8.351 10.608 -6.964 1.00 73.33 C ATOM 157 C LYS A 11 -7.739 9.947 -8.194 1.00 4.53 C ATOM 158 O LYS A 11 -8.100 8.826 -8.552 1.00 72.02 O ATOM 159 CB LYS A 11 -7.296 11.435 -6.217 1.00 32.40 C ATOM 160 CG LYS A 11 -7.852 12.330 -5.124 1.00 1.31 C ATOM 161 CD LYS A 11 -8.736 13.431 -5.687 1.00 31.40 C ATOM 162 CE LYS A 11 -9.103 14.453 -4.619 1.00 34.25 C ATOM 163 NZ LYS A 11 -9.877 13.848 -3.504 1.00 25.01 N ATOM 0 H LYS A 11 -8.251 9.161 -5.456 1.00 24.01 H new ATOM 0 HA LYS A 11 -9.145 11.284 -7.281 1.00 73.33 H new ATOM 0 HB2 LYS A 11 -6.566 10.756 -5.776 1.00 32.40 H new ATOM 0 HB3 LYS A 11 -6.761 12.053 -6.938 1.00 32.40 H new ATOM 0 HG2 LYS A 11 -8.426 11.728 -4.419 1.00 1.31 H new ATOM 0 HG3 LYS A 11 -7.029 12.776 -4.566 1.00 1.31 H new ATOM 0 HD2 LYS A 11 -8.220 13.930 -6.507 1.00 31.40 H new ATOM 0 HD3 LYS A 11 -9.644 12.994 -6.101 1.00 31.40 H new ATOM 0 HE2 LYS A 11 -8.193 14.905 -4.224 1.00 34.25 H new ATOM 0 HE3 LYS A 11 -9.687 15.255 -5.071 1.00 34.25 H new ATOM 0 HZ1 LYS A 11 -10.002 14.550 -2.747 1.00 25.01 H new ATOM 0 HZ2 LYS A 11 -10.809 13.545 -3.853 1.00 25.01 H new ATOM 0 HZ3 LYS A 11 -9.363 13.025 -3.131 1.00 25.01 H new ATOM 177 N ARG A 12 -6.814 10.643 -8.827 1.00 50.31 N ATOM 178 CA ARG A 12 -6.241 10.201 -10.091 1.00 25.51 C ATOM 179 C ARG A 12 -4.838 10.774 -10.290 1.00 30.14 C ATOM 180 O ARG A 12 -3.860 10.217 -9.801 1.00 21.25 O ATOM 181 CB ARG A 12 -7.168 10.611 -11.238 1.00 54.30 C ATOM 182 CG ARG A 12 -7.861 11.948 -10.999 1.00 73.13 C ATOM 183 CD ARG A 12 -8.910 12.221 -12.058 1.00 13.22 C ATOM 184 NE ARG A 12 -9.908 11.157 -12.120 1.00 22.24 N ATOM 185 CZ ARG A 12 -10.323 10.592 -13.252 1.00 52.10 C ATOM 186 NH1 ARG A 12 -9.842 11.013 -14.422 1.00 31.03 N ATOM 187 NH2 ARG A 12 -11.214 9.607 -13.212 1.00 24.21 N ATOM 0 H ARG A 12 -6.438 11.527 -8.484 1.00 50.31 H new ATOM 0 HA ARG A 12 -6.148 9.115 -10.078 1.00 25.51 H new ATOM 0 HB2 ARG A 12 -6.591 10.668 -12.161 1.00 54.30 H new ATOM 0 HB3 ARG A 12 -7.923 9.838 -11.381 1.00 54.30 H new ATOM 0 HG2 ARG A 12 -8.327 11.947 -10.014 1.00 73.13 H new ATOM 0 HG3 ARG A 12 -7.122 12.749 -11.001 1.00 73.13 H new ATOM 0 HD2 ARG A 12 -9.403 13.170 -11.845 1.00 13.22 H new ATOM 0 HD3 ARG A 12 -8.427 12.324 -13.030 1.00 13.22 H new ATOM 0 HE ARG A 12 -10.312 10.827 -11.243 1.00 22.24 H new ATOM 0 HH11 ARG A 12 -9.156 11.768 -14.450 1.00 31.03 H new ATOM 0 HH12 ARG A 12 -10.160 10.580 -15.289 1.00 31.03 H new ATOM 0 HH21 ARG A 12 -11.579 9.285 -12.315 1.00 24.21 H new ATOM 0 HH22 ARG A 12 -11.533 9.173 -14.078 1.00 24.21 H new ATOM 201 N VAL A 13 -4.746 11.886 -11.012 1.00 15.15 N ATOM 202 CA VAL A 13 -3.489 12.604 -11.157 1.00 64.11 C ATOM 203 C VAL A 13 -3.086 13.240 -9.827 1.00 51.25 C ATOM 204 O VAL A 13 -1.936 13.119 -9.409 1.00 33.53 O ATOM 205 CB VAL A 13 -3.572 13.682 -12.255 1.00 52.24 C ATOM 206 CG1 VAL A 13 -2.226 14.361 -12.452 1.00 71.15 C ATOM 207 CG2 VAL A 13 -4.068 13.072 -13.554 1.00 13.32 C ATOM 0 H VAL A 13 -5.531 12.309 -11.507 1.00 15.15 H new ATOM 0 HA VAL A 13 -2.729 11.882 -11.456 1.00 64.11 H new ATOM 0 HB VAL A 13 -4.284 14.444 -11.938 1.00 52.24 H new ATOM 0 HG11 VAL A 13 -2.311 15.118 -13.232 1.00 71.15 H new ATOM 0 HG12 VAL A 13 -1.917 14.834 -11.520 1.00 71.15 H new ATOM 0 HG13 VAL A 13 -1.484 13.619 -12.746 1.00 71.15 H new ATOM 0 HG21 VAL A 13 -4.122 13.844 -14.321 1.00 13.32 H new ATOM 0 HG22 VAL A 13 -3.380 12.290 -13.874 1.00 13.32 H new ATOM 0 HG23 VAL A 13 -5.058 12.644 -13.400 1.00 13.32 H new ATOM 217 N PRO A 14 -4.010 13.958 -9.147 1.00 73.43 N ATOM 218 CA PRO A 14 -3.785 14.366 -7.762 1.00 35.41 C ATOM 219 C PRO A 14 -3.625 13.145 -6.868 1.00 24.33 C ATOM 220 O PRO A 14 -4.406 12.197 -6.973 1.00 55.21 O ATOM 221 CB PRO A 14 -5.049 15.153 -7.380 1.00 52.00 C ATOM 222 CG PRO A 14 -6.075 14.757 -8.385 1.00 23.12 C ATOM 223 CD PRO A 14 -5.301 14.448 -9.661 1.00 62.05 C ATOM 0 HA PRO A 14 -2.878 14.959 -7.646 1.00 35.41 H new ATOM 0 HB2 PRO A 14 -5.374 14.909 -6.369 1.00 52.00 H new ATOM 0 HB3 PRO A 14 -4.867 16.227 -7.406 1.00 52.00 H new ATOM 0 HG2 PRO A 14 -6.638 13.887 -8.048 1.00 23.12 H new ATOM 0 HG3 PRO A 14 -6.795 15.559 -8.548 1.00 23.12 H new ATOM 0 HD2 PRO A 14 -5.806 13.697 -10.269 1.00 62.05 H new ATOM 0 HD3 PRO A 14 -5.179 15.334 -10.285 1.00 62.05 H new ATOM 231 N GLY A 15 -2.601 13.173 -6.024 1.00 5.20 N ATOM 232 CA GLY A 15 -2.290 12.053 -5.146 1.00 10.43 C ATOM 233 C GLY A 15 -3.503 11.491 -4.437 1.00 54.04 C ATOM 234 O GLY A 15 -4.160 12.187 -3.657 1.00 73.33 O ATOM 0 H GLY A 15 -1.967 13.967 -5.929 1.00 5.20 H new ATOM 0 HA2 GLY A 15 -1.821 11.262 -5.731 1.00 10.43 H new ATOM 0 HA3 GLY A 15 -1.561 12.375 -4.403 1.00 10.43 H new ATOM 238 N LEU A 16 -3.802 10.228 -4.707 1.00 2.54 N ATOM 239 CA LEU A 16 -4.957 9.582 -4.102 1.00 32.34 C ATOM 240 C LEU A 16 -4.510 8.699 -2.955 1.00 0.34 C ATOM 241 O LEU A 16 -3.423 8.120 -2.988 1.00 45.15 O ATOM 242 CB LEU A 16 -5.751 8.767 -5.140 1.00 42.23 C ATOM 243 CG LEU A 16 -5.238 7.357 -5.449 1.00 60.20 C ATOM 244 CD1 LEU A 16 -5.982 6.315 -4.627 1.00 50.21 C ATOM 245 CD2 LEU A 16 -5.364 7.060 -6.933 1.00 3.34 C ATOM 0 H LEU A 16 -3.264 9.634 -5.337 1.00 2.54 H new ATOM 0 HA LEU A 16 -5.621 10.356 -3.717 1.00 32.34 H new ATOM 0 HB2 LEU A 16 -6.781 8.685 -4.792 1.00 42.23 H new ATOM 0 HB3 LEU A 16 -5.773 9.332 -6.072 1.00 42.23 H new ATOM 0 HG LEU A 16 -4.184 7.310 -5.176 1.00 60.20 H new ATOM 0 HD11 LEU A 16 -5.599 5.323 -4.865 1.00 50.21 H new ATOM 0 HD12 LEU A 16 -5.835 6.516 -3.566 1.00 50.21 H new ATOM 0 HD13 LEU A 16 -7.046 6.359 -4.861 1.00 50.21 H new ATOM 0 HD21 LEU A 16 -4.995 6.054 -7.135 1.00 3.34 H new ATOM 0 HD22 LEU A 16 -6.410 7.129 -7.230 1.00 3.34 H new ATOM 0 HD23 LEU A 16 -4.777 7.783 -7.500 1.00 3.34 H new ATOM 257 N VAL A 17 -5.338 8.605 -1.933 1.00 34.11 N ATOM 258 CA VAL A 17 -5.014 7.780 -0.790 1.00 25.34 C ATOM 259 C VAL A 17 -5.975 6.604 -0.702 1.00 63.13 C ATOM 260 O VAL A 17 -7.178 6.751 -0.930 1.00 13.11 O ATOM 261 CB VAL A 17 -5.041 8.592 0.527 1.00 15.41 C ATOM 262 CG1 VAL A 17 -4.286 9.895 0.350 1.00 20.13 C ATOM 263 CG2 VAL A 17 -6.462 8.859 0.999 1.00 52.52 C ATOM 0 H VAL A 17 -6.235 9.087 -1.872 1.00 34.11 H new ATOM 0 HA VAL A 17 -4.000 7.406 -0.928 1.00 25.34 H new ATOM 0 HB VAL A 17 -4.551 7.995 1.296 1.00 15.41 H new ATOM 0 HG11 VAL A 17 -4.311 10.459 1.282 1.00 20.13 H new ATOM 0 HG12 VAL A 17 -3.251 9.682 0.082 1.00 20.13 H new ATOM 0 HG13 VAL A 17 -4.753 10.481 -0.442 1.00 20.13 H new ATOM 0 HG21 VAL A 17 -6.436 9.431 1.926 1.00 52.52 H new ATOM 0 HG22 VAL A 17 -6.998 9.426 0.238 1.00 52.52 H new ATOM 0 HG23 VAL A 17 -6.972 7.911 1.172 1.00 52.52 H new ATOM 273 N VAL A 18 -5.428 5.434 -0.429 1.00 62.01 N ATOM 274 CA VAL A 18 -6.236 4.249 -0.191 1.00 53.11 C ATOM 275 C VAL A 18 -5.660 3.431 0.955 1.00 43.31 C ATOM 276 O VAL A 18 -4.568 2.866 0.855 1.00 21.21 O ATOM 277 CB VAL A 18 -6.371 3.360 -1.450 1.00 14.42 C ATOM 278 CG1 VAL A 18 -7.534 3.827 -2.314 1.00 23.13 C ATOM 279 CG2 VAL A 18 -5.084 3.368 -2.257 1.00 62.24 C ATOM 0 H VAL A 18 -4.422 5.277 -0.366 1.00 62.01 H new ATOM 0 HA VAL A 18 -7.234 4.599 0.073 1.00 53.11 H new ATOM 0 HB VAL A 18 -6.567 2.339 -1.122 1.00 14.42 H new ATOM 0 HG11 VAL A 18 -7.612 3.189 -3.194 1.00 23.13 H new ATOM 0 HG12 VAL A 18 -8.459 3.769 -1.741 1.00 23.13 H new ATOM 0 HG13 VAL A 18 -7.364 4.857 -2.626 1.00 23.13 H new ATOM 0 HG21 VAL A 18 -5.203 2.736 -3.137 1.00 62.24 H new ATOM 0 HG22 VAL A 18 -4.857 4.387 -2.570 1.00 62.24 H new ATOM 0 HG23 VAL A 18 -4.268 2.986 -1.644 1.00 62.24 H new ATOM 289 N TYR A 19 -6.385 3.401 2.059 1.00 1.12 N ATOM 290 CA TYR A 19 -5.974 2.624 3.213 1.00 3.33 C ATOM 291 C TYR A 19 -6.401 1.177 3.057 1.00 65.01 C ATOM 292 O TYR A 19 -7.335 0.876 2.310 1.00 23.11 O ATOM 293 CB TYR A 19 -6.550 3.209 4.509 1.00 30.32 C ATOM 294 CG TYR A 19 -7.971 3.716 4.392 1.00 41.12 C ATOM 295 CD1 TYR A 19 -9.050 2.843 4.347 1.00 11.30 C ATOM 296 CD2 TYR A 19 -8.228 5.078 4.339 1.00 64.55 C ATOM 297 CE1 TYR A 19 -10.344 3.314 4.252 1.00 4.15 C ATOM 298 CE2 TYR A 19 -9.519 5.558 4.243 1.00 4.41 C ATOM 299 CZ TYR A 19 -10.572 4.673 4.200 1.00 15.15 C ATOM 300 OH TYR A 19 -11.861 5.150 4.114 1.00 34.43 O ATOM 0 H TYR A 19 -7.262 3.907 2.180 1.00 1.12 H new ATOM 0 HA TYR A 19 -4.887 2.667 3.275 1.00 3.33 H new ATOM 0 HB2 TYR A 19 -6.513 2.445 5.285 1.00 30.32 H new ATOM 0 HB3 TYR A 19 -5.911 4.029 4.838 1.00 30.32 H new ATOM 0 HD1 TYR A 19 -8.874 1.778 4.387 1.00 11.30 H new ATOM 0 HD2 TYR A 19 -7.404 5.775 4.373 1.00 64.55 H new ATOM 0 HE1 TYR A 19 -11.173 2.622 4.219 1.00 4.15 H new ATOM 0 HE2 TYR A 19 -9.701 6.622 4.202 1.00 4.41 H new ATOM 0 HH TYR A 19 -12.452 4.596 4.665 1.00 34.43 H new ATOM 310 N ARG A 20 -5.702 0.282 3.740 1.00 3.30 N ATOM 311 CA ARG A 20 -6.090 -1.122 3.744 1.00 51.44 C ATOM 312 C ARG A 20 -7.466 -1.281 4.378 1.00 24.35 C ATOM 313 O ARG A 20 -7.727 -0.736 5.451 1.00 63.14 O ATOM 314 CB ARG A 20 -5.083 -1.988 4.513 1.00 23.43 C ATOM 315 CG ARG A 20 -3.758 -2.216 3.805 1.00 1.01 C ATOM 316 CD ARG A 20 -2.901 -3.203 4.586 1.00 35.24 C ATOM 317 NE ARG A 20 -1.627 -3.503 3.929 1.00 31.30 N ATOM 318 CZ ARG A 20 -0.943 -4.642 4.114 1.00 31.11 C ATOM 319 NH1 ARG A 20 -1.432 -5.600 4.884 1.00 30.31 N ATOM 320 NH2 ARG A 20 0.234 -4.826 3.533 1.00 32.22 N ATOM 0 H ARG A 20 -4.873 0.499 4.293 1.00 3.30 H new ATOM 0 HA ARG A 20 -6.112 -1.457 2.707 1.00 51.44 H new ATOM 0 HB2 ARG A 20 -4.886 -1.520 5.477 1.00 23.43 H new ATOM 0 HB3 ARG A 20 -5.540 -2.956 4.716 1.00 23.43 H new ATOM 0 HG2 ARG A 20 -3.937 -2.596 2.799 1.00 1.01 H new ATOM 0 HG3 ARG A 20 -3.228 -1.270 3.698 1.00 1.01 H new ATOM 0 HD2 ARG A 20 -2.704 -2.798 5.579 1.00 35.24 H new ATOM 0 HD3 ARG A 20 -3.459 -4.129 4.724 1.00 35.24 H new ATOM 0 HE ARG A 20 -1.237 -2.806 3.294 1.00 31.30 H new ATOM 0 HH11 ARG A 20 -2.335 -5.475 5.342 1.00 30.31 H new ATOM 0 HH12 ARG A 20 -0.906 -6.463 5.020 1.00 30.31 H new ATOM 0 HH21 ARG A 20 0.629 -4.097 2.938 1.00 32.22 H new ATOM 0 HH22 ARG A 20 0.745 -5.696 3.681 1.00 32.22 H new ATOM 334 N TYR A 21 -8.346 -2.004 3.708 1.00 63.53 N ATOM 335 CA TYR A 21 -9.639 -2.330 4.282 1.00 24.53 C ATOM 336 C TYR A 21 -9.432 -3.327 5.410 1.00 11.51 C ATOM 337 O TYR A 21 -8.837 -4.382 5.191 1.00 41.14 O ATOM 338 CB TYR A 21 -10.562 -2.930 3.222 1.00 43.11 C ATOM 339 CG TYR A 21 -10.697 -2.094 1.970 1.00 63.04 C ATOM 340 CD1 TYR A 21 -11.311 -0.850 2.000 1.00 52.21 C ATOM 341 CD2 TYR A 21 -10.210 -2.554 0.752 1.00 31.43 C ATOM 342 CE1 TYR A 21 -11.435 -0.087 0.855 1.00 40.41 C ATOM 343 CE2 TYR A 21 -10.332 -1.799 -0.398 1.00 74.53 C ATOM 344 CZ TYR A 21 -10.945 -0.566 -0.342 1.00 60.12 C ATOM 345 OH TYR A 21 -11.073 0.185 -1.488 1.00 1.35 O ATOM 0 H TYR A 21 -8.190 -2.375 2.771 1.00 63.53 H new ATOM 0 HA TYR A 21 -10.105 -1.422 4.664 1.00 24.53 H new ATOM 0 HB2 TYR A 21 -10.188 -3.916 2.948 1.00 43.11 H new ATOM 0 HB3 TYR A 21 -11.551 -3.074 3.657 1.00 43.11 H new ATOM 0 HD1 TYR A 21 -11.699 -0.472 2.934 1.00 52.21 H new ATOM 0 HD2 TYR A 21 -9.728 -3.519 0.704 1.00 31.43 H new ATOM 0 HE1 TYR A 21 -11.914 0.880 0.897 1.00 40.41 H new ATOM 0 HE2 TYR A 21 -9.949 -2.173 -1.336 1.00 74.53 H new ATOM 0 HH TYR A 21 -10.674 -0.298 -2.242 1.00 1.35 H new ATOM 355 N ASP A 22 -9.893 -2.994 6.610 1.00 52.42 N ATOM 356 CA ASP A 22 -9.646 -3.847 7.767 1.00 3.04 C ATOM 357 C ASP A 22 -10.519 -5.098 7.733 1.00 22.54 C ATOM 358 O ASP A 22 -11.608 -5.146 8.307 1.00 31.20 O ATOM 359 CB ASP A 22 -9.837 -3.091 9.086 1.00 0.20 C ATOM 360 CG ASP A 22 -9.287 -3.865 10.273 1.00 32.40 C ATOM 361 OD1 ASP A 22 -8.050 -4.041 10.352 1.00 51.02 O ATOM 362 OD2 ASP A 22 -10.086 -4.301 11.132 1.00 5.32 O ATOM 0 H ASP A 22 -10.433 -2.151 6.807 1.00 52.42 H new ATOM 0 HA ASP A 22 -8.603 -4.158 7.712 1.00 3.04 H new ATOM 0 HB2 ASP A 22 -9.340 -2.123 9.024 1.00 0.20 H new ATOM 0 HB3 ASP A 22 -10.898 -2.896 9.241 1.00 0.20 H new ATOM 367 N ALA A 23 -10.035 -6.080 6.995 1.00 42.02 N ATOM 368 CA ALA A 23 -10.630 -7.400 6.922 1.00 43.10 C ATOM 369 C ALA A 23 -9.590 -8.373 6.391 1.00 61.11 C ATOM 370 O ALA A 23 -8.888 -8.054 5.433 1.00 23.30 O ATOM 371 CB ALA A 23 -11.856 -7.398 6.025 1.00 24.33 C ATOM 0 H ALA A 23 -9.200 -5.979 6.418 1.00 42.02 H new ATOM 0 HA ALA A 23 -10.952 -7.704 7.918 1.00 43.10 H new ATOM 0 HB1 ALA A 23 -12.282 -8.401 5.989 1.00 24.33 H new ATOM 0 HB2 ALA A 23 -12.596 -6.704 6.422 1.00 24.33 H new ATOM 0 HB3 ALA A 23 -11.571 -7.088 5.020 1.00 24.33 H new ATOM 377 N PRO A 24 -9.440 -9.545 7.025 1.00 32.24 N ATOM 378 CA PRO A 24 -8.478 -10.565 6.586 1.00 2.04 C ATOM 379 C PRO A 24 -8.665 -10.968 5.130 1.00 31.14 C ATOM 380 O PRO A 24 -9.523 -11.793 4.807 1.00 32.32 O ATOM 381 CB PRO A 24 -8.758 -11.753 7.509 1.00 41.12 C ATOM 382 CG PRO A 24 -9.314 -11.131 8.735 1.00 42.42 C ATOM 383 CD PRO A 24 -10.165 -9.965 8.235 1.00 12.43 C ATOM 0 HA PRO A 24 -7.454 -10.195 6.644 1.00 2.04 H new ATOM 0 HB2 PRO A 24 -9.465 -12.450 7.059 1.00 41.12 H new ATOM 0 HB3 PRO A 24 -7.849 -12.315 7.723 1.00 41.12 H new ATOM 0 HG2 PRO A 24 -9.914 -11.843 9.302 1.00 42.42 H new ATOM 0 HG3 PRO A 24 -8.520 -10.785 9.397 1.00 42.42 H new ATOM 0 HD2 PRO A 24 -11.186 -10.273 8.011 1.00 12.43 H new ATOM 0 HD3 PRO A 24 -10.228 -9.163 8.970 1.00 12.43 H new ATOM 391 N LEU A 25 -7.876 -10.367 4.252 1.00 34.43 N ATOM 392 CA LEU A 25 -7.913 -10.718 2.846 1.00 42.30 C ATOM 393 C LEU A 25 -6.862 -11.772 2.542 1.00 41.34 C ATOM 394 O LEU A 25 -6.813 -12.315 1.435 1.00 24.52 O ATOM 395 CB LEU A 25 -7.789 -9.476 1.908 1.00 50.13 C ATOM 396 CG LEU A 25 -6.504 -8.596 1.949 1.00 4.12 C ATOM 397 CD1 LEU A 25 -6.272 -7.958 3.304 1.00 4.21 C ATOM 398 CD2 LEU A 25 -5.267 -9.363 1.500 1.00 32.44 C ATOM 0 H LEU A 25 -7.205 -9.636 4.490 1.00 34.43 H new ATOM 0 HA LEU A 25 -8.895 -11.142 2.638 1.00 42.30 H new ATOM 0 HB2 LEU A 25 -7.907 -9.830 0.884 1.00 50.13 H new ATOM 0 HB3 LEU A 25 -8.636 -8.824 2.120 1.00 50.13 H new ATOM 0 HG LEU A 25 -6.679 -7.790 1.236 1.00 4.12 H new ATOM 0 HD11 LEU A 25 -5.363 -7.357 3.272 1.00 4.21 H new ATOM 0 HD12 LEU A 25 -7.120 -7.321 3.556 1.00 4.21 H new ATOM 0 HD13 LEU A 25 -6.166 -8.737 4.059 1.00 4.21 H new ATOM 0 HD21 LEU A 25 -4.397 -8.708 1.545 1.00 32.44 H new ATOM 0 HD22 LEU A 25 -5.112 -10.219 2.156 1.00 32.44 H new ATOM 0 HD23 LEU A 25 -5.406 -9.711 0.476 1.00 32.44 H new ATOM 410 N CYS A 26 -6.029 -12.055 3.543 1.00 71.12 N ATOM 411 CA CYS A 26 -5.012 -13.093 3.434 1.00 55.14 C ATOM 412 C CYS A 26 -3.985 -12.702 2.380 1.00 61.21 C ATOM 413 O CYS A 26 -3.139 -11.850 2.642 1.00 70.54 O ATOM 414 CB CYS A 26 -5.658 -14.456 3.118 1.00 50.52 C ATOM 415 SG CYS A 26 -4.511 -15.855 3.121 1.00 31.34 S ATOM 0 H CYS A 26 -6.041 -11.575 4.443 1.00 71.12 H new ATOM 0 HA CYS A 26 -4.498 -13.191 4.390 1.00 55.14 H new ATOM 0 HB2 CYS A 26 -6.445 -14.647 3.847 1.00 50.52 H new ATOM 0 HB3 CYS A 26 -6.136 -14.398 2.140 1.00 50.52 H new ATOM 0 HG CYS A 26 -5.159 -16.948 2.846 1.00 31.34 H new ATOM 421 N PHE A 27 -4.076 -13.322 1.200 1.00 34.22 N ATOM 422 CA PHE A 27 -3.282 -12.930 0.032 1.00 4.30 C ATOM 423 C PHE A 27 -3.622 -13.822 -1.161 1.00 53.54 C ATOM 424 O PHE A 27 -2.920 -13.804 -2.171 1.00 65.34 O ATOM 425 CB PHE A 27 -1.775 -13.010 0.314 1.00 5.44 C ATOM 426 CG PHE A 27 -1.206 -14.410 0.318 1.00 33.41 C ATOM 427 CD1 PHE A 27 -1.648 -15.359 1.227 1.00 33.14 C ATOM 428 CD2 PHE A 27 -0.222 -14.769 -0.589 1.00 20.13 C ATOM 429 CE1 PHE A 27 -1.122 -16.637 1.229 1.00 45.43 C ATOM 430 CE2 PHE A 27 0.308 -16.044 -0.592 1.00 73.13 C ATOM 431 CZ PHE A 27 -0.143 -16.981 0.319 1.00 3.01 C ATOM 0 H PHE A 27 -4.702 -14.109 1.028 1.00 34.22 H new ATOM 0 HA PHE A 27 -3.531 -11.894 -0.197 1.00 4.30 H new ATOM 0 HB2 PHE A 27 -1.247 -12.420 -0.436 1.00 5.44 H new ATOM 0 HB3 PHE A 27 -1.575 -12.549 1.281 1.00 5.44 H new ATOM 0 HD1 PHE A 27 -2.413 -15.096 1.943 1.00 33.14 H new ATOM 0 HD2 PHE A 27 0.135 -14.042 -1.303 1.00 20.13 H new ATOM 0 HE1 PHE A 27 -1.477 -17.366 1.942 1.00 45.43 H new ATOM 0 HE2 PHE A 27 1.074 -16.309 -1.305 1.00 73.13 H new ATOM 0 HZ PHE A 27 0.269 -17.979 0.319 1.00 3.01 H new ATOM 441 N ALA A 28 -4.732 -14.552 -1.046 1.00 44.21 N ATOM 442 CA ALA A 28 -5.107 -15.596 -2.007 1.00 73.33 C ATOM 443 C ALA A 28 -4.951 -15.148 -3.454 1.00 3.40 C ATOM 444 O ALA A 28 -4.040 -15.585 -4.156 1.00 75.34 O ATOM 445 CB ALA A 28 -6.539 -16.031 -1.752 1.00 53.51 C ATOM 0 H ALA A 28 -5.399 -14.438 -0.283 1.00 44.21 H new ATOM 0 HA ALA A 28 -4.425 -16.433 -1.858 1.00 73.33 H new ATOM 0 HB1 ALA A 28 -6.816 -16.806 -2.466 1.00 53.51 H new ATOM 0 HB2 ALA A 28 -6.625 -16.423 -0.739 1.00 53.51 H new ATOM 0 HB3 ALA A 28 -7.205 -15.176 -1.868 1.00 53.51 H new ATOM 451 N ASN A 29 -5.834 -14.276 -3.897 1.00 34.21 N ATOM 452 CA ASN A 29 -5.765 -13.757 -5.249 1.00 20.25 C ATOM 453 C ASN A 29 -5.162 -12.364 -5.230 1.00 41.00 C ATOM 454 O ASN A 29 -5.210 -11.649 -6.226 1.00 23.03 O ATOM 455 CB ASN A 29 -7.160 -13.717 -5.889 1.00 1.13 C ATOM 456 CG ASN A 29 -8.074 -12.661 -5.280 1.00 3.15 C ATOM 457 OD1 ASN A 29 -7.974 -12.334 -4.094 1.00 21.33 O ATOM 458 ND2 ASN A 29 -8.974 -12.123 -6.089 1.00 14.32 N ATOM 0 H ASN A 29 -6.608 -13.912 -3.341 1.00 34.21 H new ATOM 0 HA ASN A 29 -5.135 -14.417 -5.845 1.00 20.25 H new ATOM 0 HB2 ASN A 29 -7.056 -13.525 -6.957 1.00 1.13 H new ATOM 0 HB3 ASN A 29 -7.628 -14.696 -5.785 1.00 1.13 H new ATOM 0 HD21 ASN A 29 -9.615 -11.412 -5.738 1.00 14.32 H new ATOM 0 HD22 ASN A 29 -9.026 -12.420 -7.064 1.00 14.32 H new ATOM 465 N ALA A 30 -4.558 -12.010 -4.096 1.00 32.23 N ATOM 466 CA ALA A 30 -4.085 -10.651 -3.857 1.00 30.52 C ATOM 467 C ALA A 30 -3.110 -10.183 -4.927 1.00 13.03 C ATOM 468 O ALA A 30 -3.105 -9.010 -5.286 1.00 22.11 O ATOM 469 CB ALA A 30 -3.442 -10.544 -2.485 1.00 24.34 C ATOM 0 H ALA A 30 -4.385 -12.653 -3.324 1.00 32.23 H new ATOM 0 HA ALA A 30 -4.957 -9.999 -3.900 1.00 30.52 H new ATOM 0 HB1 ALA A 30 -3.095 -9.523 -2.324 1.00 24.34 H new ATOM 0 HB2 ALA A 30 -4.173 -10.804 -1.719 1.00 24.34 H new ATOM 0 HB3 ALA A 30 -2.596 -11.228 -2.425 1.00 24.34 H new ATOM 475 N GLU A 31 -2.294 -11.096 -5.440 1.00 43.15 N ATOM 476 CA GLU A 31 -1.324 -10.740 -6.467 1.00 73.53 C ATOM 477 C GLU A 31 -2.030 -10.339 -7.761 1.00 54.32 C ATOM 478 O GLU A 31 -1.844 -9.231 -8.270 1.00 3.31 O ATOM 479 CB GLU A 31 -0.366 -11.902 -6.738 1.00 32.23 C ATOM 480 CG GLU A 31 0.723 -11.534 -7.731 1.00 73.34 C ATOM 481 CD GLU A 31 1.586 -12.706 -8.144 1.00 22.03 C ATOM 482 OE1 GLU A 31 1.239 -13.387 -9.132 1.00 2.33 O ATOM 483 OE2 GLU A 31 2.639 -12.921 -7.518 1.00 23.25 O ATOM 0 H GLU A 31 -2.284 -12.078 -5.165 1.00 43.15 H new ATOM 0 HA GLU A 31 -0.748 -9.890 -6.101 1.00 73.53 H new ATOM 0 HB2 GLU A 31 0.092 -12.218 -5.801 1.00 32.23 H new ATOM 0 HB3 GLU A 31 -0.930 -12.753 -7.120 1.00 32.23 H new ATOM 0 HG2 GLU A 31 0.262 -11.102 -8.619 1.00 73.34 H new ATOM 0 HG3 GLU A 31 1.357 -10.763 -7.293 1.00 73.34 H new ATOM 490 N ASP A 32 -2.853 -11.243 -8.282 1.00 35.50 N ATOM 491 CA ASP A 32 -3.563 -11.001 -9.534 1.00 24.45 C ATOM 492 C ASP A 32 -4.546 -9.850 -9.373 1.00 32.54 C ATOM 493 O ASP A 32 -4.660 -8.986 -10.241 1.00 63.35 O ATOM 494 CB ASP A 32 -4.300 -12.262 -9.987 1.00 52.11 C ATOM 495 CG ASP A 32 -4.945 -12.088 -11.347 1.00 4.23 C ATOM 496 OD1 ASP A 32 -4.205 -11.961 -12.342 1.00 33.23 O ATOM 497 OD2 ASP A 32 -6.192 -12.095 -11.429 1.00 34.33 O ATOM 0 H ASP A 32 -3.045 -12.150 -7.857 1.00 35.50 H new ATOM 0 HA ASP A 32 -2.831 -10.734 -10.296 1.00 24.45 H new ATOM 0 HB2 ASP A 32 -3.600 -13.097 -10.022 1.00 52.11 H new ATOM 0 HB3 ASP A 32 -5.065 -12.518 -9.254 1.00 52.11 H new ATOM 502 N PHE A 33 -5.238 -9.845 -8.242 1.00 42.11 N ATOM 503 CA PHE A 33 -6.170 -8.780 -7.902 1.00 12.24 C ATOM 504 C PHE A 33 -5.460 -7.426 -7.875 1.00 41.12 C ATOM 505 O PHE A 33 -5.952 -6.448 -8.447 1.00 13.12 O ATOM 506 CB PHE A 33 -6.833 -9.081 -6.545 1.00 2.25 C ATOM 507 CG PHE A 33 -7.163 -7.860 -5.738 1.00 12.41 C ATOM 508 CD1 PHE A 33 -8.166 -6.996 -6.145 1.00 34.52 C ATOM 509 CD2 PHE A 33 -6.458 -7.571 -4.576 1.00 60.53 C ATOM 510 CE1 PHE A 33 -8.454 -5.860 -5.420 1.00 52.13 C ATOM 511 CE2 PHE A 33 -6.748 -6.437 -3.845 1.00 13.53 C ATOM 512 CZ PHE A 33 -7.747 -5.580 -4.269 1.00 61.32 C ATOM 0 H PHE A 33 -5.169 -10.578 -7.536 1.00 42.11 H new ATOM 0 HA PHE A 33 -6.945 -8.732 -8.667 1.00 12.24 H new ATOM 0 HB2 PHE A 33 -7.748 -9.647 -6.718 1.00 2.25 H new ATOM 0 HB3 PHE A 33 -6.169 -9.719 -5.962 1.00 2.25 H new ATOM 0 HD1 PHE A 33 -8.729 -7.215 -7.040 1.00 34.52 H new ATOM 0 HD2 PHE A 33 -5.677 -8.239 -4.242 1.00 60.53 H new ATOM 0 HE1 PHE A 33 -9.233 -5.189 -5.753 1.00 52.13 H new ATOM 0 HE2 PHE A 33 -6.195 -6.219 -2.943 1.00 13.53 H new ATOM 0 HZ PHE A 33 -7.974 -4.691 -3.699 1.00 61.32 H new ATOM 522 N ARG A 34 -4.302 -7.380 -7.225 1.00 45.44 N ATOM 523 CA ARG A 34 -3.548 -6.140 -7.091 1.00 31.12 C ATOM 524 C ARG A 34 -3.226 -5.553 -8.454 1.00 53.22 C ATOM 525 O ARG A 34 -3.504 -4.383 -8.715 1.00 70.40 O ATOM 526 CB ARG A 34 -2.244 -6.375 -6.333 1.00 32.31 C ATOM 527 CG ARG A 34 -1.470 -5.099 -6.048 1.00 25.40 C ATOM 528 CD ARG A 34 -2.090 -4.329 -4.890 1.00 73.22 C ATOM 529 NE ARG A 34 -1.268 -3.186 -4.482 1.00 41.43 N ATOM 530 CZ ARG A 34 -1.700 -2.199 -3.694 1.00 22.11 C ATOM 531 NH1 ARG A 34 -2.941 -2.216 -3.215 1.00 21.33 N ATOM 532 NH2 ARG A 34 -0.888 -1.190 -3.389 1.00 21.04 N ATOM 0 H ARG A 34 -3.865 -8.188 -6.782 1.00 45.44 H new ATOM 0 HA ARG A 34 -4.170 -5.440 -6.533 1.00 31.12 H new ATOM 0 HB2 ARG A 34 -2.466 -6.874 -5.390 1.00 32.31 H new ATOM 0 HB3 ARG A 34 -1.614 -7.051 -6.911 1.00 32.31 H new ATOM 0 HG2 ARG A 34 -0.434 -5.343 -5.813 1.00 25.40 H new ATOM 0 HG3 ARG A 34 -1.456 -4.472 -6.939 1.00 25.40 H new ATOM 0 HD2 ARG A 34 -3.081 -3.977 -5.179 1.00 73.22 H new ATOM 0 HD3 ARG A 34 -2.225 -4.999 -4.041 1.00 73.22 H new ATOM 0 HE ARG A 34 -0.307 -3.142 -4.821 1.00 41.43 H new ATOM 0 HH11 ARG A 34 -3.568 -2.986 -3.449 1.00 21.33 H new ATOM 0 HH12 ARG A 34 -3.266 -1.459 -2.613 1.00 21.33 H new ATOM 0 HH21 ARG A 34 0.063 -1.172 -3.757 1.00 21.04 H new ATOM 0 HH22 ARG A 34 -1.217 -0.435 -2.787 1.00 21.04 H new ATOM 546 N ARG A 35 -2.643 -6.369 -9.322 1.00 61.32 N ATOM 547 CA ARG A 35 -2.226 -5.882 -10.622 1.00 4.22 C ATOM 548 C ARG A 35 -3.438 -5.531 -11.475 1.00 34.21 C ATOM 549 O ARG A 35 -3.457 -4.498 -12.115 1.00 23.23 O ATOM 550 CB ARG A 35 -1.323 -6.889 -11.346 1.00 44.52 C ATOM 551 CG ARG A 35 -2.022 -8.162 -11.787 1.00 34.32 C ATOM 552 CD ARG A 35 -1.135 -9.000 -12.690 1.00 32.12 C ATOM 553 NE ARG A 35 0.049 -9.489 -11.992 1.00 1.34 N ATOM 554 CZ ARG A 35 0.175 -10.737 -11.538 1.00 34.32 C ATOM 555 NH1 ARG A 35 -0.816 -11.609 -11.705 1.00 14.51 N ATOM 556 NH2 ARG A 35 1.284 -11.114 -10.916 1.00 22.22 N ATOM 0 H ARG A 35 -2.452 -7.356 -9.150 1.00 61.32 H new ATOM 0 HA ARG A 35 -1.639 -4.978 -10.462 1.00 4.22 H new ATOM 0 HB2 ARG A 35 -0.891 -6.405 -12.222 1.00 44.52 H new ATOM 0 HB3 ARG A 35 -0.496 -7.154 -10.688 1.00 44.52 H new ATOM 0 HG2 ARG A 35 -2.305 -8.745 -10.911 1.00 34.32 H new ATOM 0 HG3 ARG A 35 -2.943 -7.909 -12.313 1.00 34.32 H new ATOM 0 HD2 ARG A 35 -1.705 -9.846 -13.074 1.00 32.12 H new ATOM 0 HD3 ARG A 35 -0.829 -8.405 -13.551 1.00 32.12 H new ATOM 0 HE ARG A 35 0.823 -8.841 -11.843 1.00 1.34 H new ATOM 0 HH11 ARG A 35 -1.672 -11.323 -12.180 1.00 14.51 H new ATOM 0 HH12 ARG A 35 -0.720 -12.563 -11.358 1.00 14.51 H new ATOM 0 HH21 ARG A 35 2.045 -10.449 -10.783 1.00 22.22 H new ATOM 0 HH22 ARG A 35 1.375 -12.069 -10.571 1.00 22.22 H new ATOM 570 N ARG A 36 -4.468 -6.363 -11.457 1.00 41.01 N ATOM 571 CA ARG A 36 -5.636 -6.119 -12.294 1.00 32.21 C ATOM 572 C ARG A 36 -6.258 -4.763 -11.991 1.00 70.13 C ATOM 573 O ARG A 36 -6.493 -3.975 -12.897 1.00 75.24 O ATOM 574 CB ARG A 36 -6.667 -7.238 -12.131 1.00 32.45 C ATOM 575 CG ARG A 36 -6.575 -8.316 -13.208 1.00 73.23 C ATOM 576 CD ARG A 36 -5.129 -8.683 -13.514 1.00 74.32 C ATOM 577 NE ARG A 36 -5.020 -9.834 -14.406 1.00 11.43 N ATOM 578 CZ ARG A 36 -4.111 -9.953 -15.372 1.00 22.05 C ATOM 579 NH1 ARG A 36 -3.292 -8.945 -15.659 1.00 5.42 N ATOM 580 NH2 ARG A 36 -4.027 -11.082 -16.065 1.00 11.15 N ATOM 0 H ARG A 36 -4.521 -7.203 -10.881 1.00 41.01 H new ATOM 0 HA ARG A 36 -5.304 -6.110 -13.332 1.00 32.21 H new ATOM 0 HB2 ARG A 36 -6.536 -7.701 -11.153 1.00 32.45 H new ATOM 0 HB3 ARG A 36 -7.667 -6.804 -12.147 1.00 32.45 H new ATOM 0 HG2 ARG A 36 -7.115 -9.205 -12.881 1.00 73.23 H new ATOM 0 HG3 ARG A 36 -7.062 -7.964 -14.118 1.00 73.23 H new ATOM 0 HD2 ARG A 36 -4.629 -7.827 -13.968 1.00 74.32 H new ATOM 0 HD3 ARG A 36 -4.608 -8.900 -12.582 1.00 74.32 H new ATOM 0 HE ARG A 36 -5.684 -10.598 -14.281 1.00 11.43 H new ATOM 0 HH11 ARG A 36 -3.357 -8.071 -15.137 1.00 5.42 H new ATOM 0 HH12 ARG A 36 -2.599 -9.046 -16.401 1.00 5.42 H new ATOM 0 HH21 ARG A 36 -4.658 -11.856 -15.857 1.00 11.15 H new ATOM 0 HH22 ARG A 36 -3.332 -11.175 -16.805 1.00 11.15 H new ATOM 594 N ALA A 37 -6.449 -4.465 -10.715 1.00 4.32 N ATOM 595 CA ALA A 37 -7.145 -3.248 -10.315 1.00 73.31 C ATOM 596 C ALA A 37 -6.277 -2.017 -10.549 1.00 41.21 C ATOM 597 O ALA A 37 -6.644 -1.110 -11.302 1.00 2.24 O ATOM 598 CB ALA A 37 -7.561 -3.336 -8.853 1.00 72.35 C ATOM 0 H ALA A 37 -6.133 -5.047 -9.939 1.00 4.32 H new ATOM 0 HA ALA A 37 -8.039 -3.150 -10.930 1.00 73.31 H new ATOM 0 HB1 ALA A 37 -8.080 -2.421 -8.567 1.00 72.35 H new ATOM 0 HB2 ALA A 37 -8.226 -4.189 -8.715 1.00 72.35 H new ATOM 0 HB3 ALA A 37 -6.676 -3.461 -8.230 1.00 72.35 H new ATOM 604 N LEU A 38 -5.115 -2.009 -9.916 1.00 52.52 N ATOM 605 CA LEU A 38 -4.200 -0.879 -10.001 1.00 44.11 C ATOM 606 C LEU A 38 -3.757 -0.645 -11.436 1.00 11.40 C ATOM 607 O LEU A 38 -3.865 0.455 -11.970 1.00 74.31 O ATOM 608 CB LEU A 38 -2.963 -1.134 -9.134 1.00 3.21 C ATOM 609 CG LEU A 38 -3.113 -0.881 -7.632 1.00 42.43 C ATOM 610 CD1 LEU A 38 -4.215 -1.734 -7.023 1.00 11.24 C ATOM 611 CD2 LEU A 38 -1.792 -1.157 -6.940 1.00 43.41 C ATOM 0 H LEU A 38 -4.780 -2.777 -9.334 1.00 52.52 H new ATOM 0 HA LEU A 38 -4.728 0.005 -9.642 1.00 44.11 H new ATOM 0 HB2 LEU A 38 -2.656 -2.170 -9.276 1.00 3.21 H new ATOM 0 HB3 LEU A 38 -2.152 -0.508 -9.505 1.00 3.21 H new ATOM 0 HG LEU A 38 -3.394 0.162 -7.489 1.00 42.43 H new ATOM 0 HD11 LEU A 38 -4.289 -1.525 -5.956 1.00 11.24 H new ATOM 0 HD12 LEU A 38 -5.164 -1.501 -7.506 1.00 11.24 H new ATOM 0 HD13 LEU A 38 -3.982 -2.789 -7.171 1.00 11.24 H new ATOM 0 HD21 LEU A 38 -1.897 -0.977 -5.870 1.00 43.41 H new ATOM 0 HD22 LEU A 38 -1.504 -2.195 -7.107 1.00 43.41 H new ATOM 0 HD23 LEU A 38 -1.024 -0.498 -7.345 1.00 43.41 H new ATOM 623 N THR A 39 -3.269 -1.698 -12.051 1.00 11.33 N ATOM 624 CA THR A 39 -2.690 -1.617 -13.373 1.00 54.44 C ATOM 625 C THR A 39 -3.741 -1.269 -14.436 1.00 60.32 C ATOM 626 O THR A 39 -3.409 -0.683 -15.469 1.00 13.24 O ATOM 627 CB THR A 39 -1.984 -2.946 -13.697 1.00 35.15 C ATOM 628 OG1 THR A 39 -0.914 -3.173 -12.768 1.00 64.52 O ATOM 629 CG2 THR A 39 -1.439 -2.978 -15.096 1.00 31.40 C ATOM 0 H THR A 39 -3.262 -2.635 -11.649 1.00 11.33 H new ATOM 0 HA THR A 39 -1.959 -0.809 -13.386 1.00 54.44 H new ATOM 0 HB THR A 39 -2.733 -3.734 -13.612 1.00 35.15 H new ATOM 0 HG1 THR A 39 -0.471 -4.021 -12.980 1.00 64.52 H new ATOM 0 HG21 THR A 39 -0.951 -3.936 -15.275 1.00 31.40 H new ATOM 0 HG22 THR A 39 -2.255 -2.848 -15.807 1.00 31.40 H new ATOM 0 HG23 THR A 39 -0.715 -2.173 -15.223 1.00 31.40 H new ATOM 637 N VAL A 40 -5.008 -1.598 -14.179 1.00 55.41 N ATOM 638 CA VAL A 40 -6.063 -1.310 -15.144 1.00 74.02 C ATOM 639 C VAL A 40 -6.497 0.155 -15.081 1.00 0.23 C ATOM 640 O VAL A 40 -6.870 0.739 -16.099 1.00 41.33 O ATOM 641 CB VAL A 40 -7.284 -2.237 -14.950 1.00 51.10 C ATOM 642 CG1 VAL A 40 -8.303 -1.665 -13.967 1.00 4.13 C ATOM 643 CG2 VAL A 40 -7.938 -2.558 -16.286 1.00 22.43 C ATOM 0 H VAL A 40 -5.323 -2.057 -13.324 1.00 55.41 H new ATOM 0 HA VAL A 40 -5.645 -1.502 -16.132 1.00 74.02 H new ATOM 0 HB VAL A 40 -6.912 -3.164 -14.513 1.00 51.10 H new ATOM 0 HG11 VAL A 40 -9.140 -2.356 -13.868 1.00 4.13 H new ATOM 0 HG12 VAL A 40 -7.831 -1.524 -12.995 1.00 4.13 H new ATOM 0 HG13 VAL A 40 -8.666 -0.706 -14.336 1.00 4.13 H new ATOM 0 HG21 VAL A 40 -8.795 -3.212 -16.124 1.00 22.43 H new ATOM 0 HG22 VAL A 40 -8.271 -1.634 -16.759 1.00 22.43 H new ATOM 0 HG23 VAL A 40 -7.217 -3.058 -16.933 1.00 22.43 H new ATOM 653 N VAL A 41 -6.453 0.757 -13.892 1.00 62.52 N ATOM 654 CA VAL A 41 -6.817 2.160 -13.767 1.00 22.01 C ATOM 655 C VAL A 41 -5.697 3.046 -14.311 1.00 61.53 C ATOM 656 O VAL A 41 -5.936 3.872 -15.194 1.00 40.34 O ATOM 657 CB VAL A 41 -7.197 2.565 -12.318 1.00 2.15 C ATOM 658 CG1 VAL A 41 -8.445 1.823 -11.875 1.00 1.42 C ATOM 659 CG2 VAL A 41 -6.061 2.312 -11.338 1.00 71.35 C ATOM 0 H VAL A 41 -6.175 0.303 -13.022 1.00 62.52 H new ATOM 0 HA VAL A 41 -7.715 2.310 -14.366 1.00 22.01 H new ATOM 0 HB VAL A 41 -7.395 3.637 -12.321 1.00 2.15 H new ATOM 0 HG11 VAL A 41 -8.701 2.116 -10.857 1.00 1.42 H new ATOM 0 HG12 VAL A 41 -9.271 2.070 -12.542 1.00 1.42 H new ATOM 0 HG13 VAL A 41 -8.261 0.749 -11.908 1.00 1.42 H new ATOM 0 HG21 VAL A 41 -6.371 2.610 -10.336 1.00 71.35 H new ATOM 0 HG22 VAL A 41 -5.809 1.252 -11.339 1.00 71.35 H new ATOM 0 HG23 VAL A 41 -5.188 2.893 -11.635 1.00 71.35 H new ATOM 669 N ASP A 42 -4.479 2.837 -13.810 1.00 15.55 N ATOM 670 CA ASP A 42 -3.291 3.539 -14.295 1.00 50.02 C ATOM 671 C ASP A 42 -2.105 3.209 -13.403 1.00 22.52 C ATOM 672 O ASP A 42 -2.078 3.584 -12.235 1.00 4.32 O ATOM 673 CB ASP A 42 -3.492 5.055 -14.330 1.00 12.23 C ATOM 674 CG ASP A 42 -2.496 5.730 -15.248 1.00 73.22 C ATOM 675 OD1 ASP A 42 -2.489 5.406 -16.456 1.00 52.32 O ATOM 676 OD2 ASP A 42 -1.741 6.602 -14.778 1.00 62.23 O ATOM 0 H ASP A 42 -4.289 2.176 -13.057 1.00 15.55 H new ATOM 0 HA ASP A 42 -3.105 3.204 -15.315 1.00 50.02 H new ATOM 0 HB2 ASP A 42 -4.505 5.280 -14.663 1.00 12.23 H new ATOM 0 HB3 ASP A 42 -3.391 5.459 -13.323 1.00 12.23 H new ATOM 681 N GLN A 43 -1.145 2.482 -13.957 1.00 72.01 N ATOM 682 CA GLN A 43 0.037 2.047 -13.216 1.00 52.02 C ATOM 683 C GLN A 43 1.199 1.809 -14.166 1.00 75.03 C ATOM 684 O GLN A 43 2.208 2.506 -14.134 1.00 62.14 O ATOM 685 CB GLN A 43 -0.249 0.747 -12.458 1.00 53.44 C ATOM 686 CG GLN A 43 -0.932 0.934 -11.119 1.00 73.13 C ATOM 687 CD GLN A 43 0.010 1.458 -10.050 1.00 22.30 C ATOM 688 OE1 GLN A 43 0.160 2.663 -9.861 1.00 2.23 O ATOM 689 NE2 GLN A 43 0.662 0.546 -9.347 1.00 60.43 N ATOM 0 H GLN A 43 -1.161 2.176 -14.930 1.00 72.01 H new ATOM 0 HA GLN A 43 0.294 2.834 -12.507 1.00 52.02 H new ATOM 0 HB2 GLN A 43 -0.873 0.107 -13.083 1.00 53.44 H new ATOM 0 HB3 GLN A 43 0.692 0.219 -12.301 1.00 53.44 H new ATOM 0 HG2 GLN A 43 -1.766 1.627 -11.234 1.00 73.13 H new ATOM 0 HG3 GLN A 43 -1.351 -0.018 -10.793 1.00 73.13 H new ATOM 0 HE21 GLN A 43 0.511 -0.445 -9.533 1.00 60.43 H new ATOM 0 HE22 GLN A 43 1.316 0.834 -8.619 1.00 60.43 H new ATOM 698 N ASP A 44 1.030 0.809 -15.012 1.00 25.12 N ATOM 699 CA ASP A 44 2.076 0.380 -15.926 1.00 43.24 C ATOM 700 C ASP A 44 2.123 1.236 -17.201 1.00 3.11 C ATOM 701 O ASP A 44 3.180 1.773 -17.531 1.00 61.52 O ATOM 702 CB ASP A 44 1.892 -1.110 -16.254 1.00 72.45 C ATOM 703 CG ASP A 44 2.840 -1.610 -17.329 1.00 45.34 C ATOM 704 OD1 ASP A 44 4.059 -1.687 -17.073 1.00 44.31 O ATOM 705 OD2 ASP A 44 2.362 -1.959 -18.432 1.00 43.25 O ATOM 0 H ASP A 44 0.166 0.272 -15.086 1.00 25.12 H new ATOM 0 HA ASP A 44 3.038 0.520 -15.433 1.00 43.24 H new ATOM 0 HB2 ASP A 44 2.041 -1.696 -15.347 1.00 72.45 H new ATOM 0 HB3 ASP A 44 0.865 -1.279 -16.578 1.00 72.45 H new ATOM 710 N PRO A 45 0.996 1.412 -17.931 1.00 60.10 N ATOM 711 CA PRO A 45 0.986 2.177 -19.176 1.00 45.13 C ATOM 712 C PRO A 45 0.612 3.650 -18.979 1.00 51.22 C ATOM 713 O PRO A 45 0.110 4.299 -19.901 1.00 63.55 O ATOM 714 CB PRO A 45 -0.081 1.456 -20.005 1.00 0.01 C ATOM 715 CG PRO A 45 -1.011 0.814 -19.020 1.00 23.14 C ATOM 716 CD PRO A 45 -0.348 0.888 -17.637 1.00 65.43 C ATOM 0 HA PRO A 45 1.972 2.212 -19.640 1.00 45.13 H new ATOM 0 HB2 PRO A 45 -0.616 2.157 -20.646 1.00 0.01 H new ATOM 0 HB3 PRO A 45 0.371 0.709 -20.657 1.00 0.01 H new ATOM 0 HG2 PRO A 45 -1.973 1.327 -19.011 1.00 23.14 H new ATOM 0 HG3 PRO A 45 -1.205 -0.222 -19.296 1.00 23.14 H new ATOM 0 HD2 PRO A 45 -0.897 1.545 -16.963 1.00 65.43 H new ATOM 0 HD3 PRO A 45 -0.302 -0.091 -17.160 1.00 65.43 H new ATOM 724 N GLY A 46 0.873 4.179 -17.789 1.00 11.25 N ATOM 725 CA GLY A 46 0.534 5.561 -17.506 1.00 2.52 C ATOM 726 C GLY A 46 1.308 6.117 -16.330 1.00 11.55 C ATOM 727 O GLY A 46 2.149 5.426 -15.751 1.00 64.41 O ATOM 0 H GLY A 46 1.312 3.677 -17.017 1.00 11.25 H new ATOM 0 HA2 GLY A 46 0.733 6.169 -18.388 1.00 2.52 H new ATOM 0 HA3 GLY A 46 -0.534 5.636 -17.302 1.00 2.52 H new ATOM 731 N GLN A 47 1.026 7.362 -15.972 1.00 65.54 N ATOM 732 CA GLN A 47 1.699 7.999 -14.855 1.00 32.51 C ATOM 733 C GLN A 47 0.681 8.505 -13.839 1.00 44.43 C ATOM 734 O GLN A 47 -0.049 9.467 -14.094 1.00 71.02 O ATOM 735 CB GLN A 47 2.583 9.149 -15.338 1.00 14.32 C ATOM 736 CG GLN A 47 3.532 9.673 -14.271 1.00 24.12 C ATOM 737 CD GLN A 47 4.738 8.773 -14.035 1.00 4.44 C ATOM 738 OE1 GLN A 47 5.801 9.248 -13.635 1.00 11.44 O ATOM 739 NE2 GLN A 47 4.595 7.479 -14.291 1.00 63.11 N ATOM 0 H GLN A 47 0.335 7.949 -16.440 1.00 65.54 H new ATOM 0 HA GLN A 47 2.335 7.257 -14.373 1.00 32.51 H new ATOM 0 HB2 GLN A 47 3.164 8.814 -16.197 1.00 14.32 H new ATOM 0 HB3 GLN A 47 1.948 9.966 -15.681 1.00 14.32 H new ATOM 0 HG2 GLN A 47 3.880 10.665 -14.561 1.00 24.12 H new ATOM 0 HG3 GLN A 47 2.986 9.788 -13.335 1.00 24.12 H new ATOM 0 HE21 GLN A 47 3.699 7.120 -14.621 1.00 63.11 H new ATOM 0 HE22 GLN A 47 5.381 6.843 -14.158 1.00 63.11 H new ATOM 748 N VAL A 48 0.649 7.853 -12.689 1.00 45.04 N ATOM 749 CA VAL A 48 -0.321 8.157 -11.648 1.00 1.32 C ATOM 750 C VAL A 48 0.392 8.641 -10.381 1.00 42.30 C ATOM 751 O VAL A 48 1.554 8.302 -10.155 1.00 3.42 O ATOM 752 CB VAL A 48 -1.164 6.901 -11.332 1.00 21.52 C ATOM 753 CG1 VAL A 48 -0.273 5.780 -10.808 1.00 41.13 C ATOM 754 CG2 VAL A 48 -2.285 7.212 -10.350 1.00 55.21 C ATOM 0 H VAL A 48 1.293 7.099 -12.450 1.00 45.04 H new ATOM 0 HA VAL A 48 -0.980 8.950 -12.003 1.00 1.32 H new ATOM 0 HB VAL A 48 -1.629 6.568 -12.260 1.00 21.52 H new ATOM 0 HG11 VAL A 48 -0.882 4.903 -10.590 1.00 41.13 H new ATOM 0 HG12 VAL A 48 0.473 5.526 -11.561 1.00 41.13 H new ATOM 0 HG13 VAL A 48 0.228 6.109 -9.898 1.00 41.13 H new ATOM 0 HG21 VAL A 48 -2.857 6.305 -10.151 1.00 55.21 H new ATOM 0 HG22 VAL A 48 -1.859 7.584 -9.418 1.00 55.21 H new ATOM 0 HG23 VAL A 48 -2.943 7.969 -10.777 1.00 55.21 H new ATOM 764 N GLU A 49 -0.295 9.450 -9.580 1.00 22.51 N ATOM 765 CA GLU A 49 0.234 9.898 -8.298 1.00 54.11 C ATOM 766 C GLU A 49 -0.709 9.468 -7.186 1.00 61.42 C ATOM 767 O GLU A 49 -1.883 9.852 -7.170 1.00 4.30 O ATOM 768 CB GLU A 49 0.407 11.418 -8.274 1.00 13.25 C ATOM 769 CG GLU A 49 1.023 11.933 -6.981 1.00 20.22 C ATOM 770 CD GLU A 49 1.067 13.447 -6.910 1.00 21.24 C ATOM 771 OE1 GLU A 49 1.810 14.064 -7.704 1.00 71.22 O ATOM 772 OE2 GLU A 49 0.348 14.031 -6.072 1.00 60.13 O ATOM 0 H GLU A 49 -1.224 9.810 -9.799 1.00 22.51 H new ATOM 0 HA GLU A 49 1.214 9.444 -8.149 1.00 54.11 H new ATOM 0 HB2 GLU A 49 1.035 11.719 -9.113 1.00 13.25 H new ATOM 0 HB3 GLU A 49 -0.565 11.890 -8.419 1.00 13.25 H new ATOM 0 HG2 GLU A 49 0.452 11.551 -6.135 1.00 20.22 H new ATOM 0 HG3 GLU A 49 2.035 11.540 -6.885 1.00 20.22 H new ATOM 779 N TRP A 50 -0.205 8.675 -6.255 1.00 44.44 N ATOM 780 CA TRP A 50 -1.046 8.140 -5.199 1.00 21.53 C ATOM 781 C TRP A 50 -0.220 7.375 -4.189 1.00 50.22 C ATOM 782 O TRP A 50 1.005 7.318 -4.298 1.00 41.02 O ATOM 783 CB TRP A 50 -2.123 7.227 -5.787 1.00 21.41 C ATOM 784 CG TRP A 50 -1.607 5.953 -6.386 1.00 32.10 C ATOM 785 CD1 TRP A 50 -0.840 5.820 -7.503 1.00 23.25 C ATOM 786 CD2 TRP A 50 -1.845 4.628 -5.905 1.00 22.31 C ATOM 787 NE1 TRP A 50 -0.581 4.493 -7.745 1.00 33.31 N ATOM 788 CE2 TRP A 50 -1.187 3.742 -6.776 1.00 13.35 C ATOM 789 CE3 TRP A 50 -2.548 4.105 -4.821 1.00 41.03 C ATOM 790 CZ2 TRP A 50 -1.213 2.364 -6.595 1.00 50.44 C ATOM 791 CZ3 TRP A 50 -2.572 2.739 -4.642 1.00 11.13 C ATOM 792 CH2 TRP A 50 -1.909 1.880 -5.524 1.00 3.23 C ATOM 0 H TRP A 50 0.773 8.390 -6.209 1.00 44.44 H new ATOM 0 HA TRP A 50 -1.526 8.977 -4.693 1.00 21.53 H new ATOM 0 HB2 TRP A 50 -2.838 6.980 -5.003 1.00 21.41 H new ATOM 0 HB3 TRP A 50 -2.668 7.778 -6.553 1.00 21.41 H new ATOM 0 HD1 TRP A 50 -0.486 6.640 -8.111 1.00 23.25 H new ATOM 0 HE1 TRP A 50 -0.028 4.128 -8.520 1.00 33.31 H new ATOM 0 HE3 TRP A 50 -3.065 4.759 -4.134 1.00 41.03 H new ATOM 0 HZ2 TRP A 50 -0.702 1.700 -7.276 1.00 50.44 H new ATOM 0 HZ3 TRP A 50 -3.113 2.324 -3.805 1.00 11.13 H new ATOM 0 HH2 TRP A 50 -1.948 0.814 -5.355 1.00 3.23 H new ATOM 803 N PHE A 51 -0.888 6.798 -3.201 1.00 23.02 N ATOM 804 CA PHE A 51 -0.213 5.968 -2.229 1.00 42.24 C ATOM 805 C PHE A 51 -1.198 5.181 -1.378 1.00 61.43 C ATOM 806 O PHE A 51 -2.361 5.571 -1.217 1.00 30.22 O ATOM 807 CB PHE A 51 0.703 6.816 -1.343 1.00 53.21 C ATOM 808 CG PHE A 51 0.010 7.837 -0.485 1.00 73.53 C ATOM 809 CD1 PHE A 51 -0.201 9.126 -0.949 1.00 34.44 C ATOM 810 CD2 PHE A 51 -0.395 7.517 0.799 1.00 32.04 C ATOM 811 CE1 PHE A 51 -0.803 10.074 -0.145 1.00 2.23 C ATOM 812 CE2 PHE A 51 -1.001 8.458 1.603 1.00 75.44 C ATOM 813 CZ PHE A 51 -1.203 9.740 1.133 1.00 74.42 C ATOM 0 H PHE A 51 -1.893 6.892 -3.056 1.00 23.02 H new ATOM 0 HA PHE A 51 0.395 5.249 -2.778 1.00 42.24 H new ATOM 0 HB2 PHE A 51 1.272 6.149 -0.695 1.00 53.21 H new ATOM 0 HB3 PHE A 51 1.422 7.331 -1.981 1.00 53.21 H new ATOM 0 HD1 PHE A 51 0.108 9.392 -1.949 1.00 34.44 H new ATOM 0 HD2 PHE A 51 -0.234 6.518 1.176 1.00 32.04 H new ATOM 0 HE1 PHE A 51 -0.961 11.076 -0.516 1.00 2.23 H new ATOM 0 HE2 PHE A 51 -1.318 8.192 2.601 1.00 75.44 H new ATOM 0 HZ PHE A 51 -1.673 10.480 1.764 1.00 74.42 H new ATOM 823 N VAL A 52 -0.727 4.061 -0.849 1.00 35.11 N ATOM 824 CA VAL A 52 -1.516 3.269 0.080 1.00 44.45 C ATOM 825 C VAL A 52 -1.009 3.500 1.491 1.00 4.41 C ATOM 826 O VAL A 52 0.176 3.769 1.695 1.00 53.23 O ATOM 827 CB VAL A 52 -1.477 1.756 -0.228 1.00 32.32 C ATOM 828 CG1 VAL A 52 -2.054 1.464 -1.599 1.00 23.24 C ATOM 829 CG2 VAL A 52 -0.066 1.201 -0.118 1.00 22.13 C ATOM 0 H VAL A 52 0.198 3.681 -1.048 1.00 35.11 H new ATOM 0 HA VAL A 52 -2.551 3.593 -0.025 1.00 44.45 H new ATOM 0 HB VAL A 52 -2.094 1.258 0.520 1.00 32.32 H new ATOM 0 HG11 VAL A 52 -2.014 0.392 -1.790 1.00 23.24 H new ATOM 0 HG12 VAL A 52 -3.090 1.801 -1.637 1.00 23.24 H new ATOM 0 HG13 VAL A 52 -1.474 1.989 -2.357 1.00 23.24 H new ATOM 0 HG21 VAL A 52 -0.076 0.134 -0.341 1.00 22.13 H new ATOM 0 HG22 VAL A 52 0.583 1.714 -0.828 1.00 22.13 H new ATOM 0 HG23 VAL A 52 0.308 1.356 0.894 1.00 22.13 H new ATOM 839 N LEU A 53 -1.892 3.401 2.467 1.00 42.52 N ATOM 840 CA LEU A 53 -1.509 3.711 3.828 1.00 12.44 C ATOM 841 C LEU A 53 -2.346 2.957 4.854 1.00 34.33 C ATOM 842 O LEU A 53 -3.352 2.313 4.522 1.00 42.32 O ATOM 843 CB LEU A 53 -1.540 5.246 4.083 1.00 2.24 C ATOM 844 CG LEU A 53 -2.840 6.041 3.794 1.00 14.03 C ATOM 845 CD1 LEU A 53 -3.262 5.960 2.337 1.00 13.32 C ATOM 846 CD2 LEU A 53 -3.976 5.605 4.698 1.00 34.41 C ATOM 0 H LEU A 53 -2.863 3.113 2.345 1.00 42.52 H new ATOM 0 HA LEU A 53 -0.482 3.369 3.955 1.00 12.44 H new ATOM 0 HB2 LEU A 53 -1.283 5.409 5.130 1.00 2.24 H new ATOM 0 HB3 LEU A 53 -0.744 5.693 3.487 1.00 2.24 H new ATOM 0 HG LEU A 53 -2.609 7.084 4.010 1.00 14.03 H new ATOM 0 HD11 LEU A 53 -4.177 6.534 2.191 1.00 13.32 H new ATOM 0 HD12 LEU A 53 -2.473 6.369 1.706 1.00 13.32 H new ATOM 0 HD13 LEU A 53 -3.440 4.919 2.067 1.00 13.32 H new ATOM 0 HD21 LEU A 53 -4.869 6.185 4.465 1.00 34.41 H new ATOM 0 HD22 LEU A 53 -4.180 4.546 4.541 1.00 34.41 H new ATOM 0 HD23 LEU A 53 -3.697 5.771 5.739 1.00 34.41 H new ATOM 858 N ASN A 54 -1.886 3.004 6.093 1.00 11.21 N ATOM 859 CA ASN A 54 -2.655 2.491 7.217 1.00 14.45 C ATOM 860 C ASN A 54 -3.203 3.646 8.045 1.00 52.41 C ATOM 861 O ASN A 54 -2.599 4.039 9.040 1.00 14.33 O ATOM 862 CB ASN A 54 -1.808 1.591 8.126 1.00 51.45 C ATOM 863 CG ASN A 54 -1.263 0.347 7.446 1.00 75.14 C ATOM 864 OD1 ASN A 54 -0.216 -0.161 7.836 1.00 1.14 O ATOM 865 ND2 ASN A 54 -1.969 -0.175 6.459 1.00 44.14 N ATOM 0 H ASN A 54 -0.979 3.394 6.348 1.00 11.21 H new ATOM 0 HA ASN A 54 -3.471 1.897 6.805 1.00 14.45 H new ATOM 0 HB2 ASN A 54 -0.973 2.173 8.516 1.00 51.45 H new ATOM 0 HB3 ASN A 54 -2.412 1.288 8.981 1.00 51.45 H new ATOM 0 HD21 ASN A 54 -1.648 -1.026 5.997 1.00 44.14 H new ATOM 0 HD22 ASN A 54 -2.835 0.273 6.159 1.00 44.14 H new ATOM 872 N ALA A 55 -4.313 4.221 7.604 1.00 52.44 N ATOM 873 CA ALA A 55 -4.999 5.240 8.393 1.00 32.31 C ATOM 874 C ALA A 55 -5.743 4.564 9.528 1.00 43.53 C ATOM 875 O ALA A 55 -5.894 5.111 10.619 1.00 43.33 O ATOM 876 CB ALA A 55 -5.959 6.046 7.528 1.00 10.15 C ATOM 0 H ALA A 55 -4.757 4.003 6.712 1.00 52.44 H new ATOM 0 HA ALA A 55 -4.263 5.934 8.799 1.00 32.31 H new ATOM 0 HB1 ALA A 55 -6.457 6.798 8.140 1.00 10.15 H new ATOM 0 HB2 ALA A 55 -5.404 6.538 6.729 1.00 10.15 H new ATOM 0 HB3 ALA A 55 -6.705 5.380 7.094 1.00 10.15 H new ATOM 882 N GLU A 56 -6.206 3.361 9.240 1.00 24.34 N ATOM 883 CA GLU A 56 -6.795 2.491 10.235 1.00 64.12 C ATOM 884 C GLU A 56 -5.701 1.529 10.698 1.00 4.01 C ATOM 885 O GLU A 56 -4.640 1.469 10.071 1.00 71.12 O ATOM 886 CB GLU A 56 -7.969 1.728 9.602 1.00 73.51 C ATOM 887 CG GLU A 56 -9.170 1.534 10.513 1.00 31.23 C ATOM 888 CD GLU A 56 -8.856 0.718 11.746 1.00 22.05 C ATOM 889 OE1 GLU A 56 -8.490 -0.465 11.604 1.00 2.24 O ATOM 890 OE2 GLU A 56 -8.949 1.268 12.863 1.00 34.35 O ATOM 0 H GLU A 56 -6.183 2.960 8.302 1.00 24.34 H new ATOM 0 HA GLU A 56 -7.179 3.052 11.087 1.00 64.12 H new ATOM 0 HB2 GLU A 56 -8.291 2.262 8.708 1.00 73.51 H new ATOM 0 HB3 GLU A 56 -7.615 0.749 9.278 1.00 73.51 H new ATOM 0 HG2 GLU A 56 -9.548 2.510 10.818 1.00 31.23 H new ATOM 0 HG3 GLU A 56 -9.967 1.044 9.954 1.00 31.23 H new ATOM 897 N SER A 57 -5.940 0.796 11.775 1.00 22.04 N ATOM 898 CA SER A 57 -4.967 -0.160 12.285 1.00 1.52 C ATOM 899 C SER A 57 -4.577 -1.167 11.203 1.00 43.24 C ATOM 900 O SER A 57 -3.394 -1.323 10.890 1.00 44.44 O ATOM 901 CB SER A 57 -5.543 -0.888 13.500 1.00 71.34 C ATOM 902 OG SER A 57 -5.918 0.033 14.510 1.00 51.52 O ATOM 0 H SER A 57 -6.804 0.845 12.315 1.00 22.04 H new ATOM 0 HA SER A 57 -4.070 0.383 12.584 1.00 1.52 H new ATOM 0 HB2 SER A 57 -6.410 -1.477 13.199 1.00 71.34 H new ATOM 0 HB3 SER A 57 -4.805 -1.586 13.895 1.00 71.34 H new ATOM 0 HG SER A 57 -6.285 -0.454 15.277 1.00 51.52 H new ATOM 908 N ASN A 58 -5.582 -1.820 10.622 1.00 32.40 N ATOM 909 CA ASN A 58 -5.369 -2.847 9.597 1.00 74.20 C ATOM 910 C ASN A 58 -4.496 -3.963 10.163 1.00 13.53 C ATOM 911 O ASN A 58 -3.321 -4.084 9.806 1.00 44.01 O ATOM 912 CB ASN A 58 -4.699 -2.279 8.328 1.00 61.05 C ATOM 913 CG ASN A 58 -5.298 -0.973 7.821 1.00 22.23 C ATOM 914 OD1 ASN A 58 -4.616 -0.182 7.171 1.00 44.55 O ATOM 915 ND2 ASN A 58 -6.558 -0.725 8.110 1.00 3.42 N ATOM 0 H ASN A 58 -6.563 -1.655 10.845 1.00 32.40 H new ATOM 0 HA ASN A 58 -6.350 -3.231 9.315 1.00 74.20 H new ATOM 0 HB2 ASN A 58 -3.640 -2.122 8.532 1.00 61.05 H new ATOM 0 HB3 ASN A 58 -4.763 -3.024 7.535 1.00 61.05 H new ATOM 0 HD21 ASN A 58 -6.993 0.142 7.793 1.00 3.42 H new ATOM 0 HD22 ASN A 58 -7.099 -1.399 8.651 1.00 3.42 H new ATOM 922 N VAL A 59 -5.054 -4.759 11.064 1.00 62.24 N ATOM 923 CA VAL A 59 -4.263 -5.770 11.755 1.00 41.14 C ATOM 924 C VAL A 59 -4.531 -7.184 11.238 1.00 34.35 C ATOM 925 O VAL A 59 -3.614 -7.857 10.781 1.00 63.53 O ATOM 926 CB VAL A 59 -4.465 -5.717 13.288 1.00 64.52 C ATOM 927 CG1 VAL A 59 -3.746 -4.513 13.876 1.00 10.11 C ATOM 928 CG2 VAL A 59 -5.944 -5.672 13.654 1.00 44.20 C ATOM 0 H VAL A 59 -6.038 -4.727 11.332 1.00 62.24 H new ATOM 0 HA VAL A 59 -3.223 -5.529 11.536 1.00 41.14 H new ATOM 0 HB VAL A 59 -4.040 -6.628 13.709 1.00 64.52 H new ATOM 0 HG11 VAL A 59 -3.898 -4.490 14.955 1.00 10.11 H new ATOM 0 HG12 VAL A 59 -2.680 -4.585 13.661 1.00 10.11 H new ATOM 0 HG13 VAL A 59 -4.144 -3.600 13.434 1.00 10.11 H new ATOM 0 HG21 VAL A 59 -6.050 -5.635 14.738 1.00 44.20 H new ATOM 0 HG22 VAL A 59 -6.401 -4.785 13.215 1.00 44.20 H new ATOM 0 HG23 VAL A 59 -6.441 -6.563 13.271 1.00 44.20 H new ATOM 938 N GLU A 60 -5.786 -7.621 11.282 1.00 10.10 N ATOM 939 CA GLU A 60 -6.131 -8.988 10.896 1.00 12.03 C ATOM 940 C GLU A 60 -6.144 -9.152 9.384 1.00 70.55 C ATOM 941 O GLU A 60 -6.267 -10.263 8.874 1.00 74.23 O ATOM 942 CB GLU A 60 -7.503 -9.377 11.442 1.00 4.41 C ATOM 943 CG GLU A 60 -7.558 -9.531 12.950 1.00 11.20 C ATOM 944 CD GLU A 60 -8.856 -10.164 13.403 1.00 31.35 C ATOM 945 OE1 GLU A 60 -9.126 -11.315 13.001 1.00 33.01 O ATOM 946 OE2 GLU A 60 -9.620 -9.513 14.147 1.00 30.44 O ATOM 0 H GLU A 60 -6.579 -7.052 11.579 1.00 10.10 H new ATOM 0 HA GLU A 60 -5.367 -9.640 11.320 1.00 12.03 H new ATOM 0 HB2 GLU A 60 -8.228 -8.621 11.140 1.00 4.41 H new ATOM 0 HB3 GLU A 60 -7.811 -10.316 10.982 1.00 4.41 H new ATOM 0 HG2 GLU A 60 -6.720 -10.142 13.284 1.00 11.20 H new ATOM 0 HG3 GLU A 60 -7.447 -8.554 13.420 1.00 11.20 H new ATOM 953 N VAL A 61 -6.022 -8.036 8.681 1.00 0.44 N ATOM 954 CA VAL A 61 -6.157 -8.011 7.233 1.00 43.24 C ATOM 955 C VAL A 61 -5.126 -8.905 6.544 1.00 33.13 C ATOM 956 O VAL A 61 -5.449 -9.661 5.617 1.00 60.02 O ATOM 957 CB VAL A 61 -6.031 -6.559 6.694 1.00 11.33 C ATOM 958 CG1 VAL A 61 -6.974 -5.646 7.438 1.00 14.34 C ATOM 959 CG2 VAL A 61 -4.610 -6.022 6.798 1.00 61.15 C ATOM 0 H VAL A 61 -5.827 -7.125 9.097 1.00 0.44 H new ATOM 0 HA VAL A 61 -7.149 -8.400 7.002 1.00 43.24 H new ATOM 0 HB VAL A 61 -6.295 -6.586 5.637 1.00 11.33 H new ATOM 0 HG11 VAL A 61 -6.878 -4.631 7.052 1.00 14.34 H new ATOM 0 HG12 VAL A 61 -7.999 -5.991 7.300 1.00 14.34 H new ATOM 0 HG13 VAL A 61 -6.728 -5.656 8.500 1.00 14.34 H new ATOM 0 HG21 VAL A 61 -4.576 -5.005 6.408 1.00 61.15 H new ATOM 0 HG22 VAL A 61 -4.297 -6.021 7.842 1.00 61.15 H new ATOM 0 HG23 VAL A 61 -3.938 -6.655 6.218 1.00 61.15 H new ATOM 969 N ASP A 62 -3.906 -8.860 7.042 1.00 21.13 N ATOM 970 CA ASP A 62 -2.773 -9.365 6.300 1.00 71.44 C ATOM 971 C ASP A 62 -2.416 -10.776 6.722 1.00 52.43 C ATOM 972 O ASP A 62 -2.035 -11.015 7.865 1.00 30.12 O ATOM 973 CB ASP A 62 -1.579 -8.431 6.504 1.00 2.01 C ATOM 974 CG ASP A 62 -0.401 -8.738 5.591 1.00 42.30 C ATOM 975 OD1 ASP A 62 0.083 -9.892 5.576 1.00 21.14 O ATOM 976 OD2 ASP A 62 0.040 -7.810 4.876 1.00 65.51 O ATOM 0 H ASP A 62 -3.676 -8.478 7.959 1.00 21.13 H new ATOM 0 HA ASP A 62 -3.038 -9.398 5.243 1.00 71.44 H new ATOM 0 HB2 ASP A 62 -1.900 -7.403 6.336 1.00 2.01 H new ATOM 0 HB3 ASP A 62 -1.250 -8.497 7.541 1.00 2.01 H new ATOM 981 N LEU A 63 -2.554 -11.714 5.799 1.00 55.30 N ATOM 982 CA LEU A 63 -2.142 -13.079 6.055 1.00 62.21 C ATOM 983 C LEU A 63 -1.191 -13.503 4.950 1.00 10.04 C ATOM 984 O LEU A 63 -1.602 -14.149 3.989 1.00 44.23 O ATOM 985 CB LEU A 63 -3.346 -14.031 6.111 1.00 61.55 C ATOM 986 CG LEU A 63 -4.548 -13.545 6.932 1.00 31.55 C ATOM 987 CD1 LEU A 63 -5.678 -14.555 6.868 1.00 61.12 C ATOM 988 CD2 LEU A 63 -4.165 -13.288 8.377 1.00 34.12 C ATOM 0 H LEU A 63 -2.946 -11.554 4.871 1.00 55.30 H new ATOM 0 HA LEU A 63 -1.648 -13.127 7.025 1.00 62.21 H new ATOM 0 HB2 LEU A 63 -3.681 -14.223 5.091 1.00 61.55 H new ATOM 0 HB3 LEU A 63 -3.012 -14.984 6.521 1.00 61.55 H new ATOM 0 HG LEU A 63 -4.885 -12.604 6.497 1.00 31.55 H new ATOM 0 HD11 LEU A 63 -6.522 -14.194 7.456 1.00 61.12 H new ATOM 0 HD12 LEU A 63 -5.988 -14.689 5.832 1.00 61.12 H new ATOM 0 HD13 LEU A 63 -5.337 -15.509 7.271 1.00 61.12 H new ATOM 0 HD21 LEU A 63 -5.040 -12.945 8.930 1.00 34.12 H new ATOM 0 HD22 LEU A 63 -3.792 -14.209 8.824 1.00 34.12 H new ATOM 0 HD23 LEU A 63 -3.388 -12.524 8.417 1.00 34.12 H new ATOM 1000 N THR A 64 0.070 -13.082 5.074 1.00 1.52 N ATOM 1001 CA THR A 64 1.083 -13.300 4.038 1.00 22.21 C ATOM 1002 C THR A 64 0.833 -12.340 2.864 1.00 21.21 C ATOM 1003 O THR A 64 1.366 -12.494 1.746 1.00 24.14 O ATOM 1004 CB THR A 64 1.099 -14.774 3.562 1.00 14.01 C ATOM 1005 OG1 THR A 64 1.041 -15.646 4.703 1.00 42.14 O ATOM 1006 CG2 THR A 64 2.356 -15.092 2.766 1.00 3.13 C ATOM 0 H THR A 64 0.417 -12.582 5.893 1.00 1.52 H new ATOM 0 HA THR A 64 2.065 -13.092 4.462 1.00 22.21 H new ATOM 0 HB THR A 64 0.234 -14.926 2.917 1.00 14.01 H new ATOM 0 HG1 THR A 64 1.049 -16.579 4.403 1.00 42.14 H new ATOM 0 HG21 THR A 64 2.332 -16.135 2.449 1.00 3.13 H new ATOM 0 HG22 THR A 64 2.404 -14.447 1.889 1.00 3.13 H new ATOM 0 HG23 THR A 64 3.234 -14.923 3.389 1.00 3.13 H new ATOM 1014 N ALA A 65 0.051 -11.302 3.145 1.00 74.22 N ATOM 1015 CA ALA A 65 -0.255 -10.297 2.153 1.00 12.44 C ATOM 1016 C ALA A 65 0.971 -9.455 1.889 1.00 73.33 C ATOM 1017 O ALA A 65 1.142 -8.944 0.798 1.00 3.01 O ATOM 1018 CB ALA A 65 -1.422 -9.421 2.581 1.00 42.33 C ATOM 0 H ALA A 65 -0.379 -11.142 4.056 1.00 74.22 H new ATOM 0 HA ALA A 65 -0.551 -10.804 1.235 1.00 12.44 H new ATOM 0 HB1 ALA A 65 -1.621 -8.678 1.809 1.00 42.33 H new ATOM 0 HB2 ALA A 65 -2.307 -10.040 2.726 1.00 42.33 H new ATOM 0 HB3 ALA A 65 -1.175 -8.916 3.515 1.00 42.33 H new ATOM 1024 N LEU A 66 1.839 -9.311 2.879 1.00 12.42 N ATOM 1025 CA LEU A 66 3.111 -8.655 2.629 1.00 63.11 C ATOM 1026 C LEU A 66 3.902 -9.419 1.584 1.00 4.22 C ATOM 1027 O LEU A 66 4.632 -8.836 0.802 1.00 54.23 O ATOM 1028 CB LEU A 66 3.952 -8.430 3.906 1.00 30.44 C ATOM 1029 CG LEU A 66 4.439 -9.649 4.733 1.00 3.13 C ATOM 1030 CD1 LEU A 66 3.286 -10.542 5.182 1.00 45.31 C ATOM 1031 CD2 LEU A 66 5.490 -10.467 3.986 1.00 43.23 C ATOM 0 H LEU A 66 1.692 -9.630 3.837 1.00 12.42 H new ATOM 0 HA LEU A 66 2.878 -7.660 2.249 1.00 63.11 H new ATOM 0 HB2 LEU A 66 4.835 -7.859 3.618 1.00 30.44 H new ATOM 0 HB3 LEU A 66 3.367 -7.797 4.573 1.00 30.44 H new ATOM 0 HG LEU A 66 4.907 -9.237 5.627 1.00 3.13 H new ATOM 0 HD11 LEU A 66 3.678 -11.381 5.757 1.00 45.31 H new ATOM 0 HD12 LEU A 66 2.600 -9.966 5.803 1.00 45.31 H new ATOM 0 HD13 LEU A 66 2.755 -10.918 4.307 1.00 45.31 H new ATOM 0 HD21 LEU A 66 5.801 -11.310 4.603 1.00 43.23 H new ATOM 0 HD22 LEU A 66 5.067 -10.838 3.053 1.00 43.23 H new ATOM 0 HD23 LEU A 66 6.353 -9.838 3.768 1.00 43.23 H new ATOM 1043 N ASP A 67 3.746 -10.724 1.539 1.00 45.30 N ATOM 1044 CA ASP A 67 4.467 -11.485 0.551 1.00 62.33 C ATOM 1045 C ASP A 67 3.970 -11.097 -0.826 1.00 11.11 C ATOM 1046 O ASP A 67 4.676 -10.430 -1.583 1.00 61.53 O ATOM 1047 CB ASP A 67 4.321 -12.985 0.780 1.00 1.35 C ATOM 1048 CG ASP A 67 5.117 -13.795 -0.221 1.00 42.34 C ATOM 1049 OD1 ASP A 67 6.344 -13.944 -0.035 1.00 40.24 O ATOM 1050 OD2 ASP A 67 4.520 -14.282 -1.200 1.00 30.24 O ATOM 0 H ASP A 67 3.143 -11.266 2.158 1.00 45.30 H new ATOM 0 HA ASP A 67 5.529 -11.256 0.635 1.00 62.33 H new ATOM 0 HB2 ASP A 67 4.652 -13.231 1.789 1.00 1.35 H new ATOM 0 HB3 ASP A 67 3.269 -13.261 0.713 1.00 1.35 H new ATOM 1055 N ALA A 68 2.726 -11.439 -1.116 1.00 23.12 N ATOM 1056 CA ALA A 68 2.165 -11.174 -2.440 1.00 54.40 C ATOM 1057 C ALA A 68 2.019 -9.671 -2.705 1.00 1.01 C ATOM 1058 O ALA A 68 2.562 -9.130 -3.676 1.00 34.01 O ATOM 1059 CB ALA A 68 0.818 -11.863 -2.583 1.00 43.14 C ATOM 0 H ALA A 68 2.088 -11.896 -0.465 1.00 23.12 H new ATOM 0 HA ALA A 68 2.858 -11.575 -3.180 1.00 54.40 H new ATOM 0 HB1 ALA A 68 0.408 -11.660 -3.572 1.00 43.14 H new ATOM 0 HB2 ALA A 68 0.944 -12.938 -2.457 1.00 43.14 H new ATOM 0 HB3 ALA A 68 0.134 -11.486 -1.823 1.00 43.14 H new ATOM 1065 N LEU A 69 1.318 -8.999 -1.812 1.00 23.53 N ATOM 1066 CA LEU A 69 0.918 -7.619 -2.022 1.00 0.42 C ATOM 1067 C LEU A 69 2.072 -6.638 -1.816 1.00 30.31 C ATOM 1068 O LEU A 69 2.115 -5.617 -2.496 1.00 2.23 O ATOM 1069 CB LEU A 69 -0.280 -7.281 -1.117 1.00 20.13 C ATOM 1070 CG LEU A 69 -0.803 -5.840 -1.180 1.00 2.02 C ATOM 1071 CD1 LEU A 69 -2.303 -5.815 -0.930 1.00 43.32 C ATOM 1072 CD2 LEU A 69 -0.097 -4.970 -0.151 1.00 42.44 C ATOM 0 H LEU A 69 1.010 -9.392 -0.923 1.00 23.53 H new ATOM 0 HA LEU A 69 0.615 -7.512 -3.064 1.00 0.42 H new ATOM 0 HB2 LEU A 69 -1.100 -7.953 -1.372 1.00 20.13 H new ATOM 0 HB3 LEU A 69 0.000 -7.497 -0.086 1.00 20.13 H new ATOM 0 HG LEU A 69 -0.598 -5.444 -2.175 1.00 2.02 H new ATOM 0 HD11 LEU A 69 -2.663 -4.787 -0.977 1.00 43.32 H new ATOM 0 HD12 LEU A 69 -2.808 -6.412 -1.689 1.00 43.32 H new ATOM 0 HD13 LEU A 69 -2.514 -6.228 0.056 1.00 43.32 H new ATOM 0 HD21 LEU A 69 -0.481 -3.952 -0.211 1.00 42.44 H new ATOM 0 HD22 LEU A 69 -0.278 -5.368 0.847 1.00 42.44 H new ATOM 0 HD23 LEU A 69 0.974 -4.966 -0.352 1.00 42.44 H new ATOM 1084 N ASP A 70 3.012 -6.914 -0.906 1.00 42.24 N ATOM 1085 CA ASP A 70 4.119 -5.974 -0.708 1.00 60.02 C ATOM 1086 C ASP A 70 5.123 -6.102 -1.820 1.00 73.23 C ATOM 1087 O ASP A 70 5.567 -5.092 -2.346 1.00 54.45 O ATOM 1088 CB ASP A 70 4.844 -6.149 0.619 1.00 22.45 C ATOM 1089 CG ASP A 70 5.921 -5.100 0.845 1.00 31.22 C ATOM 1090 OD1 ASP A 70 5.577 -3.962 1.233 1.00 31.23 O ATOM 1091 OD2 ASP A 70 7.109 -5.408 0.643 1.00 12.21 O ATOM 0 H ASP A 70 3.032 -7.746 -0.316 1.00 42.24 H new ATOM 0 HA ASP A 70 3.662 -4.984 -0.705 1.00 60.02 H new ATOM 0 HB2 ASP A 70 4.120 -6.101 1.432 1.00 22.45 H new ATOM 0 HB3 ASP A 70 5.296 -7.140 0.653 1.00 22.45 H new ATOM 1096 N GLN A 71 5.475 -7.335 -2.199 1.00 44.32 N ATOM 1097 CA GLN A 71 6.419 -7.511 -3.295 1.00 72.11 C ATOM 1098 C GLN A 71 5.891 -6.779 -4.518 1.00 14.12 C ATOM 1099 O GLN A 71 6.644 -6.145 -5.243 1.00 15.13 O ATOM 1100 CB GLN A 71 6.663 -8.991 -3.620 1.00 5.22 C ATOM 1101 CG GLN A 71 5.564 -9.635 -4.449 1.00 0.30 C ATOM 1102 CD GLN A 71 5.775 -11.116 -4.653 1.00 13.42 C ATOM 1103 OE1 GLN A 71 6.381 -11.551 -5.632 1.00 61.34 O ATOM 1104 NE2 GLN A 71 5.282 -11.899 -3.718 1.00 63.40 N ATOM 0 H GLN A 71 5.131 -8.197 -1.776 1.00 44.32 H new ATOM 0 HA GLN A 71 7.380 -7.095 -2.991 1.00 72.11 H new ATOM 0 HB2 GLN A 71 7.608 -9.083 -4.155 1.00 5.22 H new ATOM 0 HB3 GLN A 71 6.770 -9.544 -2.687 1.00 5.22 H new ATOM 0 HG2 GLN A 71 4.604 -9.474 -3.959 1.00 0.30 H new ATOM 0 HG3 GLN A 71 5.513 -9.143 -5.420 1.00 0.30 H new ATOM 0 HE21 GLN A 71 4.786 -11.495 -2.923 1.00 63.40 H new ATOM 0 HE22 GLN A 71 5.395 -12.910 -3.788 1.00 63.40 H new ATOM 1113 N LEU A 72 4.577 -6.829 -4.712 1.00 21.41 N ATOM 1114 CA LEU A 72 3.967 -6.161 -5.839 1.00 22.04 C ATOM 1115 C LEU A 72 3.829 -4.656 -5.578 1.00 54.24 C ATOM 1116 O LEU A 72 3.996 -3.854 -6.492 1.00 14.31 O ATOM 1117 CB LEU A 72 2.608 -6.787 -6.156 1.00 53.14 C ATOM 1118 CG LEU A 72 2.164 -6.653 -7.615 1.00 1.10 C ATOM 1119 CD1 LEU A 72 3.190 -7.291 -8.542 1.00 53.55 C ATOM 1120 CD2 LEU A 72 0.802 -7.291 -7.819 1.00 2.35 C ATOM 0 H LEU A 72 3.924 -7.323 -4.104 1.00 21.41 H new ATOM 0 HA LEU A 72 4.616 -6.289 -6.705 1.00 22.04 H new ATOM 0 HB2 LEU A 72 2.642 -7.845 -5.897 1.00 53.14 H new ATOM 0 HB3 LEU A 72 1.854 -6.327 -5.518 1.00 53.14 H new ATOM 0 HG LEU A 72 2.088 -5.593 -7.855 1.00 1.10 H new ATOM 0 HD11 LEU A 72 2.860 -7.188 -9.576 1.00 53.55 H new ATOM 0 HD12 LEU A 72 4.152 -6.794 -8.417 1.00 53.55 H new ATOM 0 HD13 LEU A 72 3.293 -8.348 -8.298 1.00 53.55 H new ATOM 0 HD21 LEU A 72 0.503 -7.186 -8.862 1.00 2.35 H new ATOM 0 HD22 LEU A 72 0.853 -8.349 -7.561 1.00 2.35 H new ATOM 0 HD23 LEU A 72 0.070 -6.797 -7.180 1.00 2.35 H new ATOM 1132 N ARG A 73 3.547 -4.257 -4.335 1.00 13.32 N ATOM 1133 CA ARG A 73 3.374 -2.836 -4.048 1.00 73.44 C ATOM 1134 C ARG A 73 4.706 -2.098 -4.110 1.00 73.53 C ATOM 1135 O ARG A 73 4.775 -1.045 -4.719 1.00 72.44 O ATOM 1136 CB ARG A 73 2.643 -2.560 -2.710 1.00 25.41 C ATOM 1137 CG ARG A 73 3.435 -2.846 -1.433 1.00 4.12 C ATOM 1138 CD ARG A 73 2.664 -2.403 -0.187 1.00 31.31 C ATOM 1139 NE ARG A 73 3.257 -2.918 1.053 1.00 64.14 N ATOM 1140 CZ ARG A 73 2.757 -2.734 2.282 1.00 73.13 C ATOM 1141 NH1 ARG A 73 1.710 -1.937 2.473 1.00 41.13 N ATOM 1142 NH2 ARG A 73 3.325 -3.332 3.327 1.00 53.32 N ATOM 0 H ARG A 73 3.437 -4.879 -3.534 1.00 13.32 H new ATOM 0 HA ARG A 73 2.723 -2.447 -4.831 1.00 73.44 H new ATOM 0 HB2 ARG A 73 2.338 -1.514 -2.696 1.00 25.41 H new ATOM 0 HB3 ARG A 73 1.732 -3.158 -2.688 1.00 25.41 H new ATOM 0 HG2 ARG A 73 3.652 -3.912 -1.369 1.00 4.12 H new ATOM 0 HG3 ARG A 73 4.393 -2.328 -1.473 1.00 4.12 H new ATOM 0 HD2 ARG A 73 2.637 -1.314 -0.148 1.00 31.31 H new ATOM 0 HD3 ARG A 73 1.632 -2.745 -0.262 1.00 31.31 H new ATOM 0 HE ARG A 73 4.118 -3.459 0.972 1.00 64.14 H new ATOM 0 HH11 ARG A 73 1.281 -1.460 1.680 1.00 41.13 H new ATOM 0 HH12 ARG A 73 1.336 -1.803 3.412 1.00 41.13 H new ATOM 0 HH21 ARG A 73 4.140 -3.930 3.191 1.00 53.32 H new ATOM 0 HH22 ARG A 73 2.945 -3.192 4.263 1.00 53.32 H new ATOM 1156 N THR A 74 5.763 -2.665 -3.534 1.00 54.21 N ATOM 1157 CA THR A 74 7.064 -2.008 -3.527 1.00 22.52 C ATOM 1158 C THR A 74 7.699 -2.039 -4.918 1.00 21.41 C ATOM 1159 O THR A 74 8.209 -1.030 -5.406 1.00 20.43 O ATOM 1160 CB THR A 74 8.030 -2.635 -2.481 1.00 63.21 C ATOM 1161 OG1 THR A 74 9.251 -1.892 -2.439 1.00 51.34 O ATOM 1162 CG2 THR A 74 8.347 -4.094 -2.784 1.00 10.25 C ATOM 0 H THR A 74 5.743 -3.573 -3.069 1.00 54.21 H new ATOM 0 HA THR A 74 6.894 -0.970 -3.240 1.00 22.52 H new ATOM 0 HB THR A 74 7.524 -2.595 -1.516 1.00 63.21 H new ATOM 0 HG1 THR A 74 9.911 -2.377 -1.901 1.00 51.34 H new ATOM 0 HG21 THR A 74 9.025 -4.484 -2.025 1.00 10.25 H new ATOM 0 HG22 THR A 74 7.425 -4.675 -2.781 1.00 10.25 H new ATOM 0 HG23 THR A 74 8.819 -4.168 -3.764 1.00 10.25 H new ATOM 1170 N GLU A 75 7.621 -3.189 -5.573 1.00 44.24 N ATOM 1171 CA GLU A 75 8.228 -3.362 -6.880 1.00 32.22 C ATOM 1172 C GLU A 75 7.536 -2.482 -7.922 1.00 73.43 C ATOM 1173 O GLU A 75 8.147 -2.078 -8.913 1.00 13.34 O ATOM 1174 CB GLU A 75 8.178 -4.843 -7.271 1.00 3.25 C ATOM 1175 CG GLU A 75 8.624 -5.144 -8.699 1.00 51.25 C ATOM 1176 CD GLU A 75 10.060 -4.740 -9.002 1.00 42.11 C ATOM 1177 OE1 GLU A 75 10.716 -4.106 -8.147 1.00 71.12 O ATOM 1178 OE2 GLU A 75 10.542 -5.052 -10.110 1.00 53.24 O ATOM 0 H GLU A 75 7.142 -4.016 -5.217 1.00 44.24 H new ATOM 0 HA GLU A 75 9.271 -3.048 -6.838 1.00 32.22 H new ATOM 0 HB2 GLU A 75 8.807 -5.407 -6.582 1.00 3.25 H new ATOM 0 HB3 GLU A 75 7.158 -5.204 -7.140 1.00 3.25 H new ATOM 0 HG2 GLU A 75 8.512 -6.212 -8.885 1.00 51.25 H new ATOM 0 HG3 GLU A 75 7.959 -4.628 -9.392 1.00 51.25 H new ATOM 1185 N LEU A 76 6.269 -2.170 -7.689 1.00 63.11 N ATOM 1186 CA LEU A 76 5.522 -1.312 -8.600 1.00 70.55 C ATOM 1187 C LEU A 76 5.462 0.130 -8.083 1.00 23.22 C ATOM 1188 O LEU A 76 5.027 1.034 -8.796 1.00 74.11 O ATOM 1189 CB LEU A 76 4.106 -1.861 -8.812 1.00 3.24 C ATOM 1190 CG LEU A 76 3.970 -3.026 -9.815 1.00 0.12 C ATOM 1191 CD1 LEU A 76 4.809 -4.234 -9.402 1.00 32.15 C ATOM 1192 CD2 LEU A 76 2.509 -3.429 -9.953 1.00 61.45 C ATOM 0 H LEU A 76 5.738 -2.496 -6.881 1.00 63.11 H new ATOM 0 HA LEU A 76 6.044 -1.305 -9.557 1.00 70.55 H new ATOM 0 HB2 LEU A 76 3.719 -2.192 -7.848 1.00 3.24 H new ATOM 0 HB3 LEU A 76 3.468 -1.043 -9.148 1.00 3.24 H new ATOM 0 HG LEU A 76 4.344 -2.677 -10.777 1.00 0.12 H new ATOM 0 HD11 LEU A 76 4.684 -5.031 -10.135 1.00 32.15 H new ATOM 0 HD12 LEU A 76 5.860 -3.948 -9.352 1.00 32.15 H new ATOM 0 HD13 LEU A 76 4.482 -4.586 -8.424 1.00 32.15 H new ATOM 0 HD21 LEU A 76 2.424 -4.252 -10.663 1.00 61.45 H new ATOM 0 HD22 LEU A 76 2.126 -3.746 -8.983 1.00 61.45 H new ATOM 0 HD23 LEU A 76 1.929 -2.579 -10.312 1.00 61.45 H new ATOM 1204 N LEU A 77 5.898 0.337 -6.849 1.00 3.12 N ATOM 1205 CA LEU A 77 5.922 1.668 -6.246 1.00 64.21 C ATOM 1206 C LEU A 77 7.157 2.424 -6.708 1.00 74.54 C ATOM 1207 O LEU A 77 7.094 3.599 -7.064 1.00 22.11 O ATOM 1208 CB LEU A 77 5.922 1.532 -4.720 1.00 63.32 C ATOM 1209 CG LEU A 77 5.772 2.813 -3.904 1.00 12.25 C ATOM 1210 CD1 LEU A 77 5.266 2.458 -2.519 1.00 55.41 C ATOM 1211 CD2 LEU A 77 7.100 3.554 -3.785 1.00 14.51 C ATOM 0 H LEU A 77 6.243 -0.404 -6.239 1.00 3.12 H new ATOM 0 HA LEU A 77 5.038 2.225 -6.556 1.00 64.21 H new ATOM 0 HB2 LEU A 77 5.112 0.858 -4.441 1.00 63.32 H new ATOM 0 HB3 LEU A 77 6.854 1.051 -4.424 1.00 63.32 H new ATOM 0 HG LEU A 77 5.064 3.468 -4.413 1.00 12.25 H new ATOM 0 HD11 LEU A 77 5.156 3.367 -1.928 1.00 55.41 H new ATOM 0 HD12 LEU A 77 4.300 1.959 -2.601 1.00 55.41 H new ATOM 0 HD13 LEU A 77 5.978 1.792 -2.031 1.00 55.41 H new ATOM 0 HD21 LEU A 77 6.959 4.462 -3.198 1.00 14.51 H new ATOM 0 HD22 LEU A 77 7.831 2.913 -3.292 1.00 14.51 H new ATOM 0 HD23 LEU A 77 7.460 3.817 -4.780 1.00 14.51 H new ATOM 1223 N ARG A 78 8.269 1.709 -6.727 1.00 13.11 N ATOM 1224 CA ARG A 78 9.575 2.265 -7.072 1.00 24.22 C ATOM 1225 C ARG A 78 9.668 2.733 -8.533 1.00 51.22 C ATOM 1226 O ARG A 78 10.763 2.992 -9.031 1.00 41.44 O ATOM 1227 CB ARG A 78 10.637 1.197 -6.818 1.00 30.34 C ATOM 1228 CG ARG A 78 10.327 -0.116 -7.516 1.00 74.44 C ATOM 1229 CD ARG A 78 11.493 -1.083 -7.462 1.00 13.52 C ATOM 1230 NE ARG A 78 12.584 -0.666 -8.339 1.00 50.31 N ATOM 1231 CZ ARG A 78 13.110 -1.442 -9.287 1.00 61.30 C ATOM 1232 NH1 ARG A 78 12.658 -2.680 -9.465 1.00 20.51 N ATOM 1233 NH2 ARG A 78 14.088 -0.982 -10.058 1.00 44.40 N ATOM 0 H ARG A 78 8.295 0.715 -6.501 1.00 13.11 H new ATOM 0 HA ARG A 78 9.732 3.146 -6.449 1.00 24.22 H new ATOM 0 HB2 ARG A 78 11.605 1.565 -7.158 1.00 30.34 H new ATOM 0 HB3 ARG A 78 10.722 1.022 -5.745 1.00 30.34 H new ATOM 0 HG2 ARG A 78 9.455 -0.575 -7.051 1.00 74.44 H new ATOM 0 HG3 ARG A 78 10.068 0.080 -8.556 1.00 74.44 H new ATOM 0 HD2 ARG A 78 11.858 -1.156 -6.437 1.00 13.52 H new ATOM 0 HD3 ARG A 78 11.154 -2.078 -7.751 1.00 13.52 H new ATOM 0 HE ARG A 78 12.965 0.272 -8.219 1.00 50.31 H new ATOM 0 HH11 ARG A 78 11.907 -3.038 -8.875 1.00 20.51 H new ATOM 0 HH12 ARG A 78 13.063 -3.271 -10.191 1.00 20.51 H new ATOM 0 HH21 ARG A 78 14.438 -0.033 -9.926 1.00 44.40 H new ATOM 0 HH22 ARG A 78 14.489 -1.577 -10.783 1.00 44.40 H new ATOM 1247 N ARG A 79 8.533 2.856 -9.213 1.00 34.52 N ATOM 1248 CA ARG A 79 8.531 3.215 -10.626 1.00 41.44 C ATOM 1249 C ARG A 79 8.119 4.676 -10.802 1.00 34.02 C ATOM 1250 O ARG A 79 8.942 5.528 -11.135 1.00 44.23 O ATOM 1251 CB ARG A 79 7.579 2.314 -11.431 1.00 70.15 C ATOM 1252 CG ARG A 79 7.462 0.888 -10.906 1.00 61.21 C ATOM 1253 CD ARG A 79 8.807 0.188 -10.804 1.00 73.34 C ATOM 1254 NE ARG A 79 9.317 -0.264 -12.091 1.00 1.34 N ATOM 1255 CZ ARG A 79 9.919 -1.440 -12.264 1.00 3.15 C ATOM 1256 NH1 ARG A 79 9.991 -2.303 -11.255 1.00 65.53 N ATOM 1257 NH2 ARG A 79 10.421 -1.766 -13.448 1.00 30.42 N ATOM 0 H ARG A 79 7.607 2.713 -8.811 1.00 34.52 H new ATOM 0 HA ARG A 79 9.544 3.073 -11.004 1.00 41.44 H new ATOM 0 HB2 ARG A 79 6.588 2.768 -11.437 1.00 70.15 H new ATOM 0 HB3 ARG A 79 7.920 2.280 -12.466 1.00 70.15 H new ATOM 0 HG2 ARG A 79 6.990 0.905 -9.923 1.00 61.21 H new ATOM 0 HG3 ARG A 79 6.808 0.316 -11.564 1.00 61.21 H new ATOM 0 HD2 ARG A 79 9.530 0.868 -10.352 1.00 73.34 H new ATOM 0 HD3 ARG A 79 8.714 -0.668 -10.136 1.00 73.34 H new ATOM 0 HE ARG A 79 9.208 0.349 -12.899 1.00 1.34 H new ATOM 0 HH11 ARG A 79 9.586 -2.064 -10.350 1.00 65.53 H new ATOM 0 HH12 ARG A 79 10.452 -3.204 -11.386 1.00 65.53 H new ATOM 0 HH21 ARG A 79 10.347 -1.115 -14.230 1.00 30.42 H new ATOM 0 HH22 ARG A 79 10.881 -2.667 -13.576 1.00 30.42 H new ATOM 1271 N GLY A 80 6.846 4.960 -10.543 1.00 74.33 N ATOM 1272 CA GLY A 80 6.329 6.307 -10.723 1.00 65.42 C ATOM 1273 C GLY A 80 6.176 7.045 -9.407 1.00 34.13 C ATOM 1274 O GLY A 80 6.836 6.710 -8.422 1.00 71.32 O ATOM 0 H GLY A 80 6.161 4.281 -10.211 1.00 74.33 H new ATOM 0 HA2 GLY A 80 6.999 6.867 -11.375 1.00 65.42 H new ATOM 0 HA3 GLY A 80 5.362 6.259 -11.225 1.00 65.42 H new ATOM 1278 N ILE A 81 5.304 8.045 -9.381 1.00 5.24 N ATOM 1279 CA ILE A 81 5.094 8.838 -8.178 1.00 33.52 C ATOM 1280 C ILE A 81 3.982 8.230 -7.310 1.00 61.45 C ATOM 1281 O ILE A 81 2.814 8.634 -7.336 1.00 12.14 O ATOM 1282 CB ILE A 81 4.819 10.329 -8.515 1.00 74.35 C ATOM 1283 CG1 ILE A 81 4.507 11.138 -7.252 1.00 71.14 C ATOM 1284 CG2 ILE A 81 3.704 10.471 -9.542 1.00 73.44 C ATOM 1285 CD1 ILE A 81 5.674 11.249 -6.298 1.00 22.30 C ATOM 0 H ILE A 81 4.732 8.325 -10.178 1.00 5.24 H new ATOM 0 HA ILE A 81 6.015 8.814 -7.596 1.00 33.52 H new ATOM 0 HB ILE A 81 5.730 10.735 -8.955 1.00 74.35 H new ATOM 0 HG12 ILE A 81 4.190 12.140 -7.542 1.00 71.14 H new ATOM 0 HG13 ILE A 81 3.668 10.675 -6.733 1.00 71.14 H new ATOM 0 HG21 ILE A 81 3.538 11.527 -9.755 1.00 73.44 H new ATOM 0 HG22 ILE A 81 3.987 9.956 -10.460 1.00 73.44 H new ATOM 0 HG23 ILE A 81 2.788 10.032 -9.147 1.00 73.44 H new ATOM 0 HD11 ILE A 81 5.378 11.835 -5.428 1.00 22.30 H new ATOM 0 HD12 ILE A 81 5.978 10.253 -5.978 1.00 22.30 H new ATOM 0 HD13 ILE A 81 6.508 11.740 -6.799 1.00 22.30 H new ATOM 1297 N VAL A 82 4.370 7.214 -6.568 1.00 14.41 N ATOM 1298 CA VAL A 82 3.477 6.515 -5.669 1.00 12.51 C ATOM 1299 C VAL A 82 4.253 6.136 -4.418 1.00 43.45 C ATOM 1300 O VAL A 82 5.468 5.979 -4.480 1.00 43.21 O ATOM 1301 CB VAL A 82 2.871 5.257 -6.353 1.00 3.43 C ATOM 1302 CG1 VAL A 82 3.959 4.401 -6.980 1.00 31.44 C ATOM 1303 CG2 VAL A 82 2.047 4.432 -5.373 1.00 24.14 C ATOM 0 H VAL A 82 5.322 6.847 -6.572 1.00 14.41 H new ATOM 0 HA VAL A 82 2.644 7.165 -5.400 1.00 12.51 H new ATOM 0 HB VAL A 82 2.206 5.605 -7.143 1.00 3.43 H new ATOM 0 HG11 VAL A 82 3.508 3.528 -7.452 1.00 31.44 H new ATOM 0 HG12 VAL A 82 4.493 4.984 -7.731 1.00 31.44 H new ATOM 0 HG13 VAL A 82 4.657 4.077 -6.208 1.00 31.44 H new ATOM 0 HG21 VAL A 82 1.638 3.561 -5.885 1.00 24.14 H new ATOM 0 HG22 VAL A 82 2.682 4.105 -4.549 1.00 24.14 H new ATOM 0 HG23 VAL A 82 1.230 5.039 -4.983 1.00 24.14 H new ATOM 1313 N PHE A 83 3.576 6.046 -3.281 1.00 64.40 N ATOM 1314 CA PHE A 83 4.236 5.691 -2.031 1.00 24.33 C ATOM 1315 C PHE A 83 3.373 4.748 -1.201 1.00 34.45 C ATOM 1316 O PHE A 83 2.290 4.331 -1.627 1.00 22.41 O ATOM 1317 CB PHE A 83 4.569 6.942 -1.211 1.00 70.35 C ATOM 1318 CG PHE A 83 5.649 7.800 -1.807 1.00 45.24 C ATOM 1319 CD1 PHE A 83 6.980 7.435 -1.695 1.00 54.40 C ATOM 1320 CD2 PHE A 83 5.333 8.975 -2.471 1.00 40.52 C ATOM 1321 CE1 PHE A 83 7.978 8.224 -2.236 1.00 23.34 C ATOM 1322 CE2 PHE A 83 6.326 9.768 -3.013 1.00 22.33 C ATOM 1323 CZ PHE A 83 7.650 9.392 -2.894 1.00 64.24 C ATOM 0 H PHE A 83 2.573 6.213 -3.198 1.00 64.40 H new ATOM 0 HA PHE A 83 5.164 5.180 -2.288 1.00 24.33 H new ATOM 0 HB2 PHE A 83 3.665 7.541 -1.099 1.00 70.35 H new ATOM 0 HB3 PHE A 83 4.874 6.636 -0.210 1.00 70.35 H new ATOM 0 HD1 PHE A 83 7.242 6.523 -1.179 1.00 54.40 H new ATOM 0 HD2 PHE A 83 4.299 9.274 -2.566 1.00 40.52 H new ATOM 0 HE1 PHE A 83 9.012 7.927 -2.144 1.00 23.34 H new ATOM 0 HE2 PHE A 83 6.068 10.681 -3.529 1.00 22.33 H new ATOM 0 HZ PHE A 83 8.428 10.012 -3.316 1.00 64.24 H new ATOM 1333 N ALA A 84 3.869 4.396 -0.025 1.00 13.41 N ATOM 1334 CA ALA A 84 3.134 3.555 0.899 1.00 14.55 C ATOM 1335 C ALA A 84 3.641 3.758 2.315 1.00 52.11 C ATOM 1336 O ALA A 84 4.845 3.840 2.547 1.00 3.23 O ATOM 1337 CB ALA A 84 3.252 2.093 0.508 1.00 4.33 C ATOM 0 H ALA A 84 4.787 4.685 0.312 1.00 13.41 H new ATOM 0 HA ALA A 84 2.083 3.840 0.856 1.00 14.55 H new ATOM 0 HB1 ALA A 84 2.693 1.481 1.215 1.00 4.33 H new ATOM 0 HB2 ALA A 84 2.848 1.951 -0.494 1.00 4.33 H new ATOM 0 HB3 ALA A 84 4.301 1.796 0.521 1.00 4.33 H new ATOM 1343 N MET A 85 2.722 3.852 3.258 1.00 72.03 N ATOM 1344 CA MET A 85 3.092 3.985 4.656 1.00 23.11 C ATOM 1345 C MET A 85 2.253 3.086 5.531 1.00 61.33 C ATOM 1346 O MET A 85 1.044 2.926 5.324 1.00 2.11 O ATOM 1347 CB MET A 85 2.961 5.424 5.147 1.00 60.51 C ATOM 1348 CG MET A 85 1.602 6.043 4.872 1.00 62.21 C ATOM 1349 SD MET A 85 0.875 6.841 6.318 1.00 51.05 S ATOM 1350 CE MET A 85 0.257 5.425 7.243 1.00 70.21 C ATOM 0 H MET A 85 1.717 3.839 3.083 1.00 72.03 H new ATOM 0 HA MET A 85 4.138 3.687 4.727 1.00 23.11 H new ATOM 0 HB2 MET A 85 3.152 5.451 6.220 1.00 60.51 H new ATOM 0 HB3 MET A 85 3.730 6.032 4.671 1.00 60.51 H new ATOM 0 HG2 MET A 85 1.700 6.777 4.072 1.00 62.21 H new ATOM 0 HG3 MET A 85 0.924 5.269 4.514 1.00 62.21 H new ATOM 0 HE1 MET A 85 -0.820 5.340 7.101 1.00 70.21 H new ATOM 0 HE2 MET A 85 0.743 4.517 6.886 1.00 70.21 H new ATOM 0 HE3 MET A 85 0.474 5.560 8.303 1.00 70.21 H new ATOM 1360 N ALA A 86 2.902 2.514 6.516 1.00 23.44 N ATOM 1361 CA ALA A 86 2.239 1.669 7.471 1.00 62.44 C ATOM 1362 C ALA A 86 2.371 2.250 8.865 1.00 20.22 C ATOM 1363 O ALA A 86 3.252 3.074 9.133 1.00 35.21 O ATOM 1364 CB ALA A 86 2.827 0.264 7.422 1.00 21.21 C ATOM 0 H ALA A 86 3.904 2.623 6.675 1.00 23.44 H new ATOM 0 HA ALA A 86 1.180 1.613 7.218 1.00 62.44 H new ATOM 0 HB1 ALA A 86 2.318 -0.369 8.149 1.00 21.21 H new ATOM 0 HB2 ALA A 86 2.694 -0.152 6.423 1.00 21.21 H new ATOM 0 HB3 ALA A 86 3.890 0.306 7.659 1.00 21.21 H new ATOM 1370 N ARG A 87 1.473 1.859 9.740 1.00 63.34 N ATOM 1371 CA ARG A 87 1.652 2.115 11.151 1.00 72.02 C ATOM 1372 C ARG A 87 2.342 0.904 11.746 1.00 33.31 C ATOM 1373 O ARG A 87 2.121 -0.218 11.290 1.00 23.21 O ATOM 1374 CB ARG A 87 0.320 2.435 11.841 1.00 5.21 C ATOM 1375 CG ARG A 87 -0.800 1.460 11.524 1.00 74.40 C ATOM 1376 CD ARG A 87 -2.158 2.041 11.889 1.00 42.34 C ATOM 1377 NE ARG A 87 -2.312 2.240 13.327 1.00 75.41 N ATOM 1378 CZ ARG A 87 -3.155 3.117 13.872 1.00 24.51 C ATOM 1379 NH1 ARG A 87 -3.842 3.952 13.104 1.00 64.15 N ATOM 1380 NH2 ARG A 87 -3.281 3.176 15.190 1.00 5.22 N ATOM 0 H ARG A 87 0.614 1.364 9.501 1.00 63.34 H new ATOM 0 HA ARG A 87 2.270 2.999 11.305 1.00 72.02 H new ATOM 0 HB2 ARG A 87 0.478 2.450 12.919 1.00 5.21 H new ATOM 0 HB3 ARG A 87 0.006 3.438 11.551 1.00 5.21 H new ATOM 0 HG2 ARG A 87 -0.781 1.213 10.462 1.00 74.40 H new ATOM 0 HG3 ARG A 87 -0.641 0.530 12.070 1.00 74.40 H new ATOM 0 HD2 ARG A 87 -2.291 2.994 11.377 1.00 42.34 H new ATOM 0 HD3 ARG A 87 -2.943 1.374 11.531 1.00 42.34 H new ATOM 0 HE ARG A 87 -1.740 1.673 13.953 1.00 75.41 H new ATOM 0 HH11 ARG A 87 -3.727 3.925 12.091 1.00 64.15 H new ATOM 0 HH12 ARG A 87 -4.486 4.621 13.526 1.00 64.15 H new ATOM 0 HH21 ARG A 87 -2.734 2.552 15.783 1.00 5.22 H new ATOM 0 HH22 ARG A 87 -3.925 3.846 15.611 1.00 5.22 H new ATOM 1394 N VAL A 88 3.201 1.132 12.723 1.00 53.53 N ATOM 1395 CA VAL A 88 4.096 0.093 13.216 1.00 73.21 C ATOM 1396 C VAL A 88 3.340 -1.114 13.786 1.00 53.05 C ATOM 1397 O VAL A 88 2.774 -1.072 14.878 1.00 21.03 O ATOM 1398 CB VAL A 88 5.100 0.664 14.239 1.00 42.33 C ATOM 1399 CG1 VAL A 88 6.108 1.556 13.524 1.00 3.22 C ATOM 1400 CG2 VAL A 88 4.386 1.449 15.330 1.00 2.52 C ATOM 0 H VAL A 88 3.300 2.031 13.195 1.00 53.53 H new ATOM 0 HA VAL A 88 4.659 -0.272 12.357 1.00 73.21 H new ATOM 0 HB VAL A 88 5.622 -0.168 14.712 1.00 42.33 H new ATOM 0 HG11 VAL A 88 6.816 1.958 14.248 1.00 3.22 H new ATOM 0 HG12 VAL A 88 6.645 0.972 12.777 1.00 3.22 H new ATOM 0 HG13 VAL A 88 5.584 2.377 13.034 1.00 3.22 H new ATOM 0 HG21 VAL A 88 5.119 1.839 16.036 1.00 2.52 H new ATOM 0 HG22 VAL A 88 3.837 2.277 14.882 1.00 2.52 H new ATOM 0 HG23 VAL A 88 3.690 0.793 15.854 1.00 2.52 H new ATOM 1410 N LYS A 89 3.320 -2.178 12.988 1.00 23.43 N ATOM 1411 CA LYS A 89 2.655 -3.433 13.327 1.00 31.50 C ATOM 1412 C LYS A 89 3.508 -4.585 12.807 1.00 34.12 C ATOM 1413 O LYS A 89 4.707 -4.427 12.603 1.00 60.14 O ATOM 1414 CB LYS A 89 1.284 -3.524 12.645 1.00 52.25 C ATOM 1415 CG LYS A 89 0.382 -2.318 12.837 1.00 43.13 C ATOM 1416 CD LYS A 89 -0.727 -2.315 11.798 1.00 50.42 C ATOM 1417 CE LYS A 89 -0.153 -2.300 10.387 1.00 55.14 C ATOM 1418 NZ LYS A 89 -1.201 -2.421 9.338 1.00 21.40 N ATOM 0 H LYS A 89 3.772 -2.193 12.074 1.00 23.43 H new ATOM 0 HA LYS A 89 2.526 -3.480 14.408 1.00 31.50 H new ATOM 0 HB2 LYS A 89 1.438 -3.676 11.577 1.00 52.25 H new ATOM 0 HB3 LYS A 89 0.767 -4.407 13.021 1.00 52.25 H new ATOM 0 HG2 LYS A 89 -0.049 -2.334 13.838 1.00 43.13 H new ATOM 0 HG3 LYS A 89 0.967 -1.402 12.756 1.00 43.13 H new ATOM 0 HD2 LYS A 89 -1.356 -3.196 11.929 1.00 50.42 H new ATOM 0 HD3 LYS A 89 -1.365 -1.443 11.944 1.00 50.42 H new ATOM 0 HE2 LYS A 89 0.402 -1.374 10.235 1.00 55.14 H new ATOM 0 HE3 LYS A 89 0.558 -3.119 10.280 1.00 55.14 H new ATOM 0 HZ1 LYS A 89 -0.750 -2.542 8.409 1.00 21.40 H new ATOM 0 HZ2 LYS A 89 -1.802 -3.245 9.541 1.00 21.40 H new ATOM 0 HZ3 LYS A 89 -1.785 -1.561 9.330 1.00 21.40 H new ATOM 1432 N GLN A 90 2.886 -5.737 12.572 1.00 11.33 N ATOM 1433 CA GLN A 90 3.555 -6.822 11.858 1.00 14.23 C ATOM 1434 C GLN A 90 3.788 -6.430 10.391 1.00 62.41 C ATOM 1435 O GLN A 90 4.692 -6.947 9.737 1.00 73.14 O ATOM 1436 CB GLN A 90 2.746 -8.134 11.946 1.00 3.15 C ATOM 1437 CG GLN A 90 1.872 -8.457 10.732 1.00 31.22 C ATOM 1438 CD GLN A 90 0.470 -7.878 10.802 1.00 23.34 C ATOM 1439 OE1 GLN A 90 -0.474 -8.467 10.285 1.00 63.40 O ATOM 1440 NE2 GLN A 90 0.317 -6.723 11.425 1.00 74.12 N ATOM 0 H GLN A 90 1.930 -5.943 12.862 1.00 11.33 H new ATOM 0 HA GLN A 90 4.520 -6.994 12.334 1.00 14.23 H new ATOM 0 HB2 GLN A 90 3.442 -8.959 12.099 1.00 3.15 H new ATOM 0 HB3 GLN A 90 2.108 -8.087 12.828 1.00 3.15 H new ATOM 0 HG2 GLN A 90 2.364 -8.082 9.834 1.00 31.22 H new ATOM 0 HG3 GLN A 90 1.801 -9.540 10.627 1.00 31.22 H new ATOM 0 HE21 GLN A 90 1.123 -6.259 11.844 1.00 74.12 H new ATOM 0 HE22 GLN A 90 -0.607 -6.295 11.487 1.00 74.12 H new ATOM 1449 N ASP A 91 2.984 -5.470 9.920 1.00 13.42 N ATOM 1450 CA ASP A 91 2.963 -5.035 8.514 1.00 3.04 C ATOM 1451 C ASP A 91 4.370 -4.837 7.962 1.00 62.20 C ATOM 1452 O ASP A 91 4.837 -5.615 7.132 1.00 12.31 O ATOM 1453 CB ASP A 91 2.188 -3.715 8.403 1.00 0.14 C ATOM 1454 CG ASP A 91 1.557 -3.467 7.037 1.00 53.23 C ATOM 1455 OD1 ASP A 91 2.294 -3.377 6.026 1.00 33.42 O ATOM 1456 OD2 ASP A 91 0.311 -3.320 6.992 1.00 11.23 O ATOM 0 H ASP A 91 2.321 -4.966 10.509 1.00 13.42 H new ATOM 0 HA ASP A 91 2.477 -5.816 7.929 1.00 3.04 H new ATOM 0 HB2 ASP A 91 1.403 -3.704 9.159 1.00 0.14 H new ATOM 0 HB3 ASP A 91 2.864 -2.891 8.632 1.00 0.14 H new ATOM 1461 N LEU A 92 5.053 -3.811 8.455 1.00 31.14 N ATOM 1462 CA LEU A 92 6.370 -3.454 7.940 1.00 52.13 C ATOM 1463 C LEU A 92 7.419 -4.520 8.245 1.00 54.55 C ATOM 1464 O LEU A 92 8.375 -4.666 7.494 1.00 23.03 O ATOM 1465 CB LEU A 92 6.824 -2.057 8.439 1.00 12.34 C ATOM 1466 CG LEU A 92 7.135 -1.858 9.947 1.00 63.02 C ATOM 1467 CD1 LEU A 92 6.001 -2.330 10.838 1.00 24.03 C ATOM 1468 CD2 LEU A 92 8.453 -2.512 10.351 1.00 53.52 C ATOM 0 H LEU A 92 4.718 -3.212 9.210 1.00 31.14 H new ATOM 0 HA LEU A 92 6.275 -3.401 6.855 1.00 52.13 H new ATOM 0 HB2 LEU A 92 7.719 -1.783 7.880 1.00 12.34 H new ATOM 0 HB3 LEU A 92 6.047 -1.342 8.167 1.00 12.34 H new ATOM 0 HG LEU A 92 7.239 -0.783 10.095 1.00 63.02 H new ATOM 0 HD11 LEU A 92 6.268 -2.169 11.883 1.00 24.03 H new ATOM 0 HD12 LEU A 92 5.097 -1.769 10.604 1.00 24.03 H new ATOM 0 HD13 LEU A 92 5.823 -3.392 10.668 1.00 24.03 H new ATOM 0 HD21 LEU A 92 8.630 -2.348 11.414 1.00 53.52 H new ATOM 0 HD22 LEU A 92 8.404 -3.583 10.153 1.00 53.52 H new ATOM 0 HD23 LEU A 92 9.268 -2.074 9.775 1.00 53.52 H new ATOM 1480 N ARG A 93 7.230 -5.275 9.330 1.00 44.51 N ATOM 1481 CA ARG A 93 8.215 -6.279 9.729 1.00 14.45 C ATOM 1482 C ARG A 93 8.427 -7.274 8.608 1.00 61.52 C ATOM 1483 O ARG A 93 9.512 -7.362 8.032 1.00 2.14 O ATOM 1484 CB ARG A 93 7.772 -7.055 10.970 1.00 2.23 C ATOM 1485 CG ARG A 93 7.372 -6.206 12.160 1.00 51.04 C ATOM 1486 CD ARG A 93 7.011 -7.096 13.337 1.00 73.43 C ATOM 1487 NE ARG A 93 6.246 -8.270 12.909 1.00 24.00 N ATOM 1488 CZ ARG A 93 5.860 -9.252 13.716 1.00 52.41 C ATOM 1489 NH1 ARG A 93 6.121 -9.193 15.018 1.00 63.33 N ATOM 1490 NH2 ARG A 93 5.204 -10.289 13.212 1.00 25.15 N ATOM 0 H ARG A 93 6.415 -5.211 9.940 1.00 44.51 H new ATOM 0 HA ARG A 93 9.137 -5.744 9.955 1.00 14.45 H new ATOM 0 HB2 ARG A 93 6.929 -7.690 10.699 1.00 2.23 H new ATOM 0 HB3 ARG A 93 8.584 -7.716 11.273 1.00 2.23 H new ATOM 0 HG2 ARG A 93 8.191 -5.541 12.434 1.00 51.04 H new ATOM 0 HG3 ARG A 93 6.523 -5.575 11.897 1.00 51.04 H new ATOM 0 HD2 ARG A 93 7.921 -7.418 13.843 1.00 73.43 H new ATOM 0 HD3 ARG A 93 6.429 -6.525 14.061 1.00 73.43 H new ATOM 0 HE ARG A 93 5.992 -8.338 11.923 1.00 24.00 H new ATOM 0 HH11 ARG A 93 6.620 -8.391 15.402 1.00 63.33 H new ATOM 0 HH12 ARG A 93 5.822 -9.950 15.633 1.00 63.33 H new ATOM 0 HH21 ARG A 93 5.000 -10.327 12.213 1.00 25.15 H new ATOM 0 HH22 ARG A 93 4.903 -11.048 13.823 1.00 25.15 H new ATOM 1504 N GLU A 94 7.374 -8.003 8.280 1.00 20.41 N ATOM 1505 CA GLU A 94 7.483 -9.046 7.277 1.00 31.14 C ATOM 1506 C GLU A 94 7.570 -8.462 5.864 1.00 22.43 C ATOM 1507 O GLU A 94 8.211 -9.050 4.997 1.00 41.01 O ATOM 1508 CB GLU A 94 6.348 -10.075 7.390 1.00 75.53 C ATOM 1509 CG GLU A 94 5.080 -9.580 8.073 1.00 71.34 C ATOM 1510 CD GLU A 94 4.964 -10.070 9.505 1.00 72.21 C ATOM 1511 OE1 GLU A 94 5.650 -9.522 10.396 1.00 22.12 O ATOM 1512 OE2 GLU A 94 4.192 -11.023 9.749 1.00 23.42 O ATOM 0 H GLU A 94 6.446 -7.894 8.688 1.00 20.41 H new ATOM 0 HA GLU A 94 8.415 -9.576 7.472 1.00 31.14 H new ATOM 0 HB2 GLU A 94 6.090 -10.417 6.388 1.00 75.53 H new ATOM 0 HB3 GLU A 94 6.720 -10.942 7.937 1.00 75.53 H new ATOM 0 HG2 GLU A 94 5.067 -8.490 8.063 1.00 71.34 H new ATOM 0 HG3 GLU A 94 4.211 -9.914 7.506 1.00 71.34 H new ATOM 1519 N SER A 95 6.953 -7.301 5.636 1.00 64.31 N ATOM 1520 CA SER A 95 7.078 -6.621 4.343 1.00 21.33 C ATOM 1521 C SER A 95 8.546 -6.344 4.036 1.00 14.31 C ATOM 1522 O SER A 95 9.029 -6.577 2.927 1.00 30.10 O ATOM 1523 CB SER A 95 6.302 -5.298 4.337 1.00 42.22 C ATOM 1524 OG SER A 95 4.911 -5.509 4.495 1.00 73.03 O ATOM 0 H SER A 95 6.370 -6.817 6.318 1.00 64.31 H new ATOM 0 HA SER A 95 6.659 -7.276 3.579 1.00 21.33 H new ATOM 0 HB2 SER A 95 6.667 -4.658 5.140 1.00 42.22 H new ATOM 0 HB3 SER A 95 6.487 -4.771 3.401 1.00 42.22 H new ATOM 0 HG SER A 95 4.647 -5.278 5.410 1.00 73.03 H new ATOM 1530 N LEU A 96 9.257 -5.866 5.044 1.00 43.23 N ATOM 1531 CA LEU A 96 10.667 -5.555 4.909 1.00 61.51 C ATOM 1532 C LEU A 96 11.500 -6.820 4.750 1.00 14.31 C ATOM 1533 O LEU A 96 12.491 -6.826 4.019 1.00 42.33 O ATOM 1534 CB LEU A 96 11.130 -4.758 6.123 1.00 75.53 C ATOM 1535 CG LEU A 96 11.223 -3.240 5.918 1.00 11.20 C ATOM 1536 CD1 LEU A 96 12.197 -2.918 4.798 1.00 64.11 C ATOM 1537 CD2 LEU A 96 9.857 -2.640 5.613 1.00 21.25 C ATOM 0 H LEU A 96 8.875 -5.684 5.972 1.00 43.23 H new ATOM 0 HA LEU A 96 10.806 -4.956 4.009 1.00 61.51 H new ATOM 0 HB2 LEU A 96 10.445 -4.955 6.948 1.00 75.53 H new ATOM 0 HB3 LEU A 96 12.110 -5.127 6.427 1.00 75.53 H new ATOM 0 HG LEU A 96 11.588 -2.798 6.845 1.00 11.20 H new ATOM 0 HD11 LEU A 96 12.253 -1.838 4.664 1.00 64.11 H new ATOM 0 HD12 LEU A 96 13.184 -3.304 5.052 1.00 64.11 H new ATOM 0 HD13 LEU A 96 11.854 -3.381 3.873 1.00 64.11 H new ATOM 0 HD21 LEU A 96 9.955 -1.564 5.473 1.00 21.25 H new ATOM 0 HD22 LEU A 96 9.457 -3.089 4.704 1.00 21.25 H new ATOM 0 HD23 LEU A 96 9.179 -2.837 6.444 1.00 21.25 H new ATOM 1549 N ARG A 97 11.090 -7.886 5.425 1.00 21.55 N ATOM 1550 CA ARG A 97 11.789 -9.163 5.333 1.00 35.34 C ATOM 1551 C ARG A 97 11.625 -9.774 3.943 1.00 65.52 C ATOM 1552 O ARG A 97 12.465 -10.551 3.491 1.00 5.53 O ATOM 1553 CB ARG A 97 11.280 -10.138 6.399 1.00 52.30 C ATOM 1554 CG ARG A 97 11.504 -9.656 7.826 1.00 20.02 C ATOM 1555 CD ARG A 97 12.975 -9.373 8.104 1.00 42.22 C ATOM 1556 NE ARG A 97 13.797 -10.581 8.022 1.00 0.33 N ATOM 1557 CZ ARG A 97 15.127 -10.584 8.127 1.00 3.13 C ATOM 1558 NH1 ARG A 97 15.784 -9.444 8.290 1.00 65.41 N ATOM 1559 NH2 ARG A 97 15.797 -11.726 8.048 1.00 60.42 N ATOM 0 H ARG A 97 10.278 -7.893 6.042 1.00 21.55 H new ATOM 0 HA ARG A 97 12.849 -8.977 5.507 1.00 35.34 H new ATOM 0 HB2 ARG A 97 10.214 -10.307 6.245 1.00 52.30 H new ATOM 0 HB3 ARG A 97 11.777 -11.099 6.267 1.00 52.30 H new ATOM 0 HG2 ARG A 97 10.921 -8.752 8.000 1.00 20.02 H new ATOM 0 HG3 ARG A 97 11.140 -10.409 8.525 1.00 20.02 H new ATOM 0 HD2 ARG A 97 13.343 -8.637 7.389 1.00 42.22 H new ATOM 0 HD3 ARG A 97 13.077 -8.933 9.096 1.00 42.22 H new ATOM 0 HE ARG A 97 13.325 -11.473 7.876 1.00 0.33 H new ATOM 0 HH11 ARG A 97 15.273 -8.563 8.335 1.00 65.41 H new ATOM 0 HH12 ARG A 97 16.801 -9.448 8.370 1.00 65.41 H new ATOM 0 HH21 ARG A 97 15.295 -12.603 7.907 1.00 60.42 H new ATOM 0 HH22 ARG A 97 16.814 -11.727 8.128 1.00 60.42 H new ATOM 1573 N ALA A 98 10.535 -9.420 3.272 1.00 40.30 N ATOM 1574 CA ALA A 98 10.290 -9.881 1.914 1.00 71.21 C ATOM 1575 C ALA A 98 11.036 -9.012 0.904 1.00 25.42 C ATOM 1576 O ALA A 98 11.775 -9.521 0.059 1.00 22.45 O ATOM 1577 CB ALA A 98 8.799 -9.881 1.616 1.00 74.31 C ATOM 0 H ALA A 98 9.806 -8.814 3.649 1.00 40.30 H new ATOM 0 HA ALA A 98 10.663 -10.902 1.826 1.00 71.21 H new ATOM 0 HB1 ALA A 98 8.632 -10.228 0.596 1.00 74.31 H new ATOM 0 HB2 ALA A 98 8.288 -10.545 2.314 1.00 74.31 H new ATOM 0 HB3 ALA A 98 8.406 -8.870 1.724 1.00 74.31 H new ATOM 1583 N ALA A 99 10.841 -7.701 0.997 1.00 61.30 N ATOM 1584 CA ALA A 99 11.493 -6.765 0.092 1.00 43.35 C ATOM 1585 C ALA A 99 13.002 -6.730 0.331 1.00 2.22 C ATOM 1586 O ALA A 99 13.768 -7.281 -0.455 1.00 4.24 O ATOM 1587 CB ALA A 99 10.895 -5.374 0.241 1.00 70.22 C ATOM 0 H ALA A 99 10.236 -7.263 1.691 1.00 61.30 H new ATOM 0 HA ALA A 99 11.322 -7.108 -0.928 1.00 43.35 H new ATOM 0 HB1 ALA A 99 11.395 -4.688 -0.443 1.00 70.22 H new ATOM 0 HB2 ALA A 99 9.831 -5.408 0.007 1.00 70.22 H new ATOM 0 HB3 ALA A 99 11.030 -5.028 1.266 1.00 70.22 H new ATOM 1593 N SER A 100 13.412 -6.063 1.414 1.00 4.52 N ATOM 1594 CA SER A 100 14.822 -5.979 1.828 1.00 21.40 C ATOM 1595 C SER A 100 15.687 -5.150 0.863 1.00 32.31 C ATOM 1596 O SER A 100 16.743 -4.651 1.247 1.00 24.13 O ATOM 1597 CB SER A 100 15.410 -7.383 1.997 1.00 11.30 C ATOM 1598 OG SER A 100 14.672 -8.131 2.952 1.00 63.50 O ATOM 0 H SER A 100 12.775 -5.563 2.033 1.00 4.52 H new ATOM 0 HA SER A 100 14.836 -5.457 2.785 1.00 21.40 H new ATOM 0 HB2 SER A 100 15.403 -7.902 1.039 1.00 11.30 H new ATOM 0 HB3 SER A 100 16.451 -7.310 2.312 1.00 11.30 H new ATOM 0 HG SER A 100 13.949 -7.577 3.313 1.00 63.50 H new ATOM 1604 N LEU A 101 15.232 -4.990 -0.375 1.00 20.31 N ATOM 1605 CA LEU A 101 15.961 -4.228 -1.391 1.00 22.32 C ATOM 1606 C LEU A 101 15.828 -2.723 -1.162 1.00 54.51 C ATOM 1607 O LEU A 101 15.559 -1.964 -2.094 1.00 33.20 O ATOM 1608 CB LEU A 101 15.434 -4.594 -2.784 1.00 62.44 C ATOM 1609 CG LEU A 101 16.124 -5.778 -3.477 1.00 12.24 C ATOM 1610 CD1 LEU A 101 16.199 -6.993 -2.564 1.00 5.52 C ATOM 1611 CD2 LEU A 101 15.389 -6.134 -4.759 1.00 64.23 C ATOM 0 H LEU A 101 14.350 -5.382 -0.705 1.00 20.31 H new ATOM 0 HA LEU A 101 17.018 -4.485 -1.317 1.00 22.32 H new ATOM 0 HB2 LEU A 101 14.370 -4.817 -2.701 1.00 62.44 H new ATOM 0 HB3 LEU A 101 15.527 -3.719 -3.427 1.00 62.44 H new ATOM 0 HG LEU A 101 17.144 -5.476 -3.717 1.00 12.24 H new ATOM 0 HD11 LEU A 101 16.693 -7.811 -3.087 1.00 5.52 H new ATOM 0 HD12 LEU A 101 16.766 -6.740 -1.668 1.00 5.52 H new ATOM 0 HD13 LEU A 101 15.192 -7.299 -2.282 1.00 5.52 H new ATOM 0 HD21 LEU A 101 15.887 -6.975 -5.242 1.00 64.23 H new ATOM 0 HD22 LEU A 101 14.360 -6.407 -4.525 1.00 64.23 H new ATOM 0 HD23 LEU A 101 15.392 -5.276 -5.431 1.00 64.23 H new ATOM 1623 N LEU A 102 16.061 -2.297 0.074 1.00 62.31 N ATOM 1624 CA LEU A 102 15.865 -0.908 0.478 1.00 12.41 C ATOM 1625 C LEU A 102 16.787 0.046 -0.266 1.00 24.25 C ATOM 1626 O LEU A 102 16.475 1.227 -0.413 1.00 64.12 O ATOM 1627 CB LEU A 102 16.083 -0.757 1.981 1.00 12.14 C ATOM 1628 CG LEU A 102 14.961 -1.308 2.854 1.00 62.31 C ATOM 1629 CD1 LEU A 102 15.318 -1.168 4.327 1.00 2.31 C ATOM 1630 CD2 LEU A 102 13.653 -0.590 2.548 1.00 72.15 C ATOM 0 H LEU A 102 16.391 -2.904 0.825 1.00 62.31 H new ATOM 0 HA LEU A 102 14.838 -0.646 0.223 1.00 12.41 H new ATOM 0 HB2 LEU A 102 17.012 -1.259 2.250 1.00 12.14 H new ATOM 0 HB3 LEU A 102 16.214 0.301 2.209 1.00 12.14 H new ATOM 0 HG LEU A 102 14.833 -2.367 2.631 1.00 62.31 H new ATOM 0 HD11 LEU A 102 14.507 -1.566 4.937 1.00 2.31 H new ATOM 0 HD12 LEU A 102 16.233 -1.722 4.534 1.00 2.31 H new ATOM 0 HD13 LEU A 102 15.469 -0.115 4.566 1.00 2.31 H new ATOM 0 HD21 LEU A 102 12.860 -0.993 3.178 1.00 72.15 H new ATOM 0 HD22 LEU A 102 13.768 0.476 2.747 1.00 72.15 H new ATOM 0 HD23 LEU A 102 13.393 -0.738 1.500 1.00 72.15 H new ATOM 1642 N ASP A 103 17.921 -0.456 -0.722 1.00 54.01 N ATOM 1643 CA ASP A 103 18.876 0.371 -1.447 1.00 5.21 C ATOM 1644 C ASP A 103 18.307 0.831 -2.785 1.00 22.13 C ATOM 1645 O ASP A 103 18.553 1.958 -3.217 1.00 23.15 O ATOM 1646 CB ASP A 103 20.186 -0.383 -1.673 1.00 23.34 C ATOM 1647 CG ASP A 103 21.239 0.478 -2.345 1.00 62.22 C ATOM 1648 OD1 ASP A 103 21.958 1.213 -1.631 1.00 53.40 O ATOM 1649 OD2 ASP A 103 21.350 0.429 -3.590 1.00 52.22 O ATOM 0 H ASP A 103 18.205 -1.429 -0.605 1.00 54.01 H new ATOM 0 HA ASP A 103 19.075 1.251 -0.836 1.00 5.21 H new ATOM 0 HB2 ASP A 103 20.568 -0.738 -0.716 1.00 23.34 H new ATOM 0 HB3 ASP A 103 19.994 -1.263 -2.286 1.00 23.34 H new ATOM 1654 N LYS A 104 17.528 -0.030 -3.431 1.00 21.52 N ATOM 1655 CA LYS A 104 17.011 0.276 -4.760 1.00 41.24 C ATOM 1656 C LYS A 104 15.538 0.687 -4.738 1.00 54.35 C ATOM 1657 O LYS A 104 15.075 1.370 -5.650 1.00 1.32 O ATOM 1658 CB LYS A 104 17.219 -0.904 -5.707 1.00 63.42 C ATOM 1659 CG LYS A 104 16.649 -2.218 -5.202 1.00 63.25 C ATOM 1660 CD LYS A 104 16.770 -3.302 -6.256 1.00 22.21 C ATOM 1661 CE LYS A 104 15.965 -2.951 -7.495 1.00 52.41 C ATOM 1662 NZ LYS A 104 16.146 -3.946 -8.584 1.00 12.31 N ATOM 0 H LYS A 104 17.243 -0.937 -3.061 1.00 21.52 H new ATOM 0 HA LYS A 104 17.578 1.132 -5.126 1.00 41.24 H new ATOM 0 HB2 LYS A 104 16.762 -0.669 -6.668 1.00 63.42 H new ATOM 0 HB3 LYS A 104 18.287 -1.029 -5.884 1.00 63.42 H new ATOM 0 HG2 LYS A 104 17.176 -2.524 -4.298 1.00 63.25 H new ATOM 0 HG3 LYS A 104 15.602 -2.084 -4.931 1.00 63.25 H new ATOM 0 HD2 LYS A 104 17.818 -3.437 -6.525 1.00 22.21 H new ATOM 0 HD3 LYS A 104 16.421 -4.251 -5.848 1.00 22.21 H new ATOM 0 HE2 LYS A 104 14.909 -2.889 -7.234 1.00 52.41 H new ATOM 0 HE3 LYS A 104 16.263 -1.965 -7.853 1.00 52.41 H new ATOM 0 HZ1 LYS A 104 15.578 -3.665 -9.409 1.00 12.31 H new ATOM 0 HZ2 LYS A 104 17.150 -3.988 -8.853 1.00 12.31 H new ATOM 0 HZ3 LYS A 104 15.837 -4.882 -8.254 1.00 12.31 H new ATOM 1676 N ILE A 105 14.793 0.274 -3.719 1.00 63.25 N ATOM 1677 CA ILE A 105 13.406 0.722 -3.587 1.00 71.41 C ATOM 1678 C ILE A 105 13.362 2.055 -2.852 1.00 61.00 C ATOM 1679 O ILE A 105 12.375 2.786 -2.917 1.00 71.43 O ATOM 1680 CB ILE A 105 12.504 -0.302 -2.855 1.00 74.23 C ATOM 1681 CG1 ILE A 105 12.969 -0.509 -1.411 1.00 52.34 C ATOM 1682 CG2 ILE A 105 12.492 -1.622 -3.615 1.00 61.24 C ATOM 1683 CD1 ILE A 105 12.106 -1.472 -0.624 1.00 4.51 C ATOM 0 H ILE A 105 15.114 -0.357 -2.985 1.00 63.25 H new ATOM 0 HA ILE A 105 13.013 0.830 -4.598 1.00 71.41 H new ATOM 0 HB ILE A 105 11.488 0.092 -2.822 1.00 74.23 H new ATOM 0 HG12 ILE A 105 13.995 -0.878 -1.419 1.00 52.34 H new ATOM 0 HG13 ILE A 105 12.980 0.454 -0.901 1.00 52.34 H new ATOM 0 HG21 ILE A 105 11.855 -2.336 -3.093 1.00 61.24 H new ATOM 0 HG22 ILE A 105 12.106 -1.459 -4.621 1.00 61.24 H new ATOM 0 HG23 ILE A 105 13.506 -2.016 -3.675 1.00 61.24 H new ATOM 0 HD11 ILE A 105 12.498 -1.567 0.389 1.00 4.51 H new ATOM 0 HD12 ILE A 105 11.084 -1.095 -0.584 1.00 4.51 H new ATOM 0 HD13 ILE A 105 12.114 -2.448 -1.109 1.00 4.51 H new ATOM 1695 N GLY A 106 14.464 2.360 -2.172 1.00 34.02 N ATOM 1696 CA GLY A 106 14.588 3.606 -1.437 1.00 41.54 C ATOM 1697 C GLY A 106 13.517 3.784 -0.384 1.00 23.42 C ATOM 1698 O GLY A 106 13.177 2.841 0.336 1.00 55.01 O ATOM 0 H GLY A 106 15.284 1.756 -2.118 1.00 34.02 H new ATOM 0 HA2 GLY A 106 15.567 3.643 -0.960 1.00 41.54 H new ATOM 0 HA3 GLY A 106 14.542 4.440 -2.137 1.00 41.54 H new ATOM 1702 N GLU A 107 12.993 4.998 -0.289 1.00 51.53 N ATOM 1703 CA GLU A 107 11.923 5.301 0.644 1.00 63.42 C ATOM 1704 C GLU A 107 10.590 4.888 0.035 1.00 35.42 C ATOM 1705 O GLU A 107 9.810 5.715 -0.436 1.00 4.32 O ATOM 1706 CB GLU A 107 11.933 6.788 1.008 1.00 30.12 C ATOM 1707 CG GLU A 107 13.225 7.219 1.684 1.00 21.30 C ATOM 1708 CD GLU A 107 13.301 8.712 1.918 1.00 74.42 C ATOM 1709 OE1 GLU A 107 12.742 9.190 2.926 1.00 40.42 O ATOM 1710 OE2 GLU A 107 13.939 9.412 1.100 1.00 24.42 O ATOM 0 H GLU A 107 13.296 5.793 -0.852 1.00 51.53 H new ATOM 0 HA GLU A 107 12.074 4.739 1.565 1.00 63.42 H new ATOM 0 HB2 GLU A 107 11.786 7.380 0.105 1.00 30.12 H new ATOM 0 HB3 GLU A 107 11.093 7.001 1.669 1.00 30.12 H new ATOM 0 HG2 GLU A 107 13.319 6.702 2.639 1.00 21.30 H new ATOM 0 HG3 GLU A 107 14.071 6.910 1.070 1.00 21.30 H new ATOM 1717 N ASP A 108 10.384 3.586 0.007 1.00 14.21 N ATOM 1718 CA ASP A 108 9.210 2.977 -0.599 1.00 30.21 C ATOM 1719 C ASP A 108 8.065 2.888 0.403 1.00 44.23 C ATOM 1720 O ASP A 108 7.114 3.668 0.363 1.00 21.51 O ATOM 1721 CB ASP A 108 9.593 1.576 -1.085 1.00 33.20 C ATOM 1722 CG ASP A 108 8.442 0.796 -1.684 1.00 63.33 C ATOM 1723 OD1 ASP A 108 7.618 0.258 -0.916 1.00 51.35 O ATOM 1724 OD2 ASP A 108 8.395 0.675 -2.920 1.00 72.02 O ATOM 0 H ASP A 108 11.034 2.910 0.409 1.00 14.21 H new ATOM 0 HA ASP A 108 8.872 3.590 -1.435 1.00 30.21 H new ATOM 0 HB2 ASP A 108 10.385 1.665 -1.829 1.00 33.20 H new ATOM 0 HB3 ASP A 108 10.004 1.012 -0.248 1.00 33.20 H new ATOM 1729 N HIS A 109 8.196 1.942 1.318 1.00 31.31 N ATOM 1730 CA HIS A 109 7.175 1.682 2.319 1.00 71.32 C ATOM 1731 C HIS A 109 7.694 2.026 3.712 1.00 50.42 C ATOM 1732 O HIS A 109 8.448 1.263 4.320 1.00 31.44 O ATOM 1733 CB HIS A 109 6.681 0.218 2.244 1.00 54.40 C ATOM 1734 CG HIS A 109 7.754 -0.825 2.043 1.00 33.21 C ATOM 1735 ND1 HIS A 109 7.487 -2.096 1.573 1.00 33.32 N ATOM 1736 CD2 HIS A 109 9.097 -0.785 2.232 1.00 12.23 C ATOM 1737 CE1 HIS A 109 8.606 -2.778 1.480 1.00 1.41 C ATOM 1738 NE2 HIS A 109 9.605 -2.010 1.873 1.00 12.14 N ATOM 0 H HIS A 109 9.012 1.334 1.388 1.00 31.31 H new ATOM 0 HA HIS A 109 6.319 2.324 2.111 1.00 71.32 H new ATOM 0 HB2 HIS A 109 6.144 -0.012 3.164 1.00 54.40 H new ATOM 0 HB3 HIS A 109 5.964 0.137 1.427 1.00 54.40 H new ATOM 0 HD1 HIS A 109 6.561 -2.451 1.334 1.00 33.32 H new ATOM 0 HD2 HIS A 109 9.664 0.058 2.599 1.00 12.23 H new ATOM 0 HE1 HIS A 109 8.694 -3.799 1.138 1.00 1.41 H new ATOM 1747 N ILE A 110 7.306 3.199 4.190 1.00 44.32 N ATOM 1748 CA ILE A 110 7.762 3.700 5.484 1.00 13.23 C ATOM 1749 C ILE A 110 6.581 3.798 6.458 1.00 63.32 C ATOM 1750 O ILE A 110 5.581 3.100 6.293 1.00 55.32 O ATOM 1751 CB ILE A 110 8.498 5.071 5.351 1.00 20.01 C ATOM 1752 CG1 ILE A 110 7.534 6.263 5.179 1.00 70.33 C ATOM 1753 CG2 ILE A 110 9.486 5.030 4.191 1.00 3.11 C ATOM 1754 CD1 ILE A 110 6.474 6.080 4.124 1.00 34.24 C ATOM 0 H ILE A 110 6.671 3.828 3.699 1.00 44.32 H new ATOM 0 HA ILE A 110 8.486 2.990 5.883 1.00 13.23 H new ATOM 0 HB ILE A 110 9.031 5.228 6.288 1.00 20.01 H new ATOM 0 HG12 ILE A 110 7.045 6.456 6.134 1.00 70.33 H new ATOM 0 HG13 ILE A 110 8.118 7.150 4.935 1.00 70.33 H new ATOM 0 HG21 ILE A 110 9.992 5.992 4.110 1.00 3.11 H new ATOM 0 HG22 ILE A 110 10.223 4.246 4.368 1.00 3.11 H new ATOM 0 HG23 ILE A 110 8.951 4.822 3.264 1.00 3.11 H new ATOM 0 HD11 ILE A 110 5.847 6.971 4.079 1.00 34.24 H new ATOM 0 HD12 ILE A 110 6.948 5.921 3.156 1.00 34.24 H new ATOM 0 HD13 ILE A 110 5.858 5.216 4.373 1.00 34.24 H new ATOM 1766 N PHE A 111 6.690 4.653 7.466 1.00 71.12 N ATOM 1767 CA PHE A 111 5.658 4.754 8.486 1.00 31.12 C ATOM 1768 C PHE A 111 4.746 5.954 8.269 1.00 21.35 C ATOM 1769 O PHE A 111 4.938 6.729 7.336 1.00 21.40 O ATOM 1770 CB PHE A 111 6.298 4.835 9.868 1.00 33.14 C ATOM 1771 CG PHE A 111 7.157 3.653 10.160 1.00 60.45 C ATOM 1772 CD1 PHE A 111 6.672 2.383 9.930 1.00 20.52 C ATOM 1773 CD2 PHE A 111 8.449 3.803 10.632 1.00 62.44 C ATOM 1774 CE1 PHE A 111 7.449 1.279 10.172 1.00 41.11 C ATOM 1775 CE2 PHE A 111 9.238 2.698 10.878 1.00 2.34 C ATOM 1776 CZ PHE A 111 8.738 1.431 10.646 1.00 0.54 C ATOM 0 H PHE A 111 7.480 5.284 7.598 1.00 71.12 H new ATOM 0 HA PHE A 111 5.042 3.858 8.414 1.00 31.12 H new ATOM 0 HB2 PHE A 111 6.897 5.743 9.937 1.00 33.14 H new ATOM 0 HB3 PHE A 111 5.517 4.910 10.625 1.00 33.14 H new ATOM 0 HD1 PHE A 111 5.667 2.256 9.554 1.00 20.52 H new ATOM 0 HD2 PHE A 111 8.843 4.793 10.809 1.00 62.44 H new ATOM 0 HE1 PHE A 111 7.053 0.290 9.992 1.00 41.11 H new ATOM 0 HE2 PHE A 111 10.244 2.823 11.251 1.00 2.34 H new ATOM 0 HZ PHE A 111 9.352 0.563 10.834 1.00 0.54 H new ATOM 1786 N MET A 112 3.735 6.049 9.131 1.00 73.23 N ATOM 1787 CA MET A 112 2.819 7.197 9.213 1.00 15.33 C ATOM 1788 C MET A 112 3.519 8.523 8.891 1.00 5.14 C ATOM 1789 O MET A 112 4.323 9.013 9.684 1.00 74.02 O ATOM 1790 CB MET A 112 2.243 7.257 10.636 1.00 10.01 C ATOM 1791 CG MET A 112 1.368 8.467 10.944 1.00 13.42 C ATOM 1792 SD MET A 112 -0.366 8.224 10.518 1.00 11.11 S ATOM 1793 CE MET A 112 -0.375 8.681 8.789 1.00 54.32 C ATOM 0 H MET A 112 3.521 5.317 9.808 1.00 73.23 H new ATOM 0 HA MET A 112 2.030 7.059 8.473 1.00 15.33 H new ATOM 0 HB2 MET A 112 1.657 6.354 10.810 1.00 10.01 H new ATOM 0 HB3 MET A 112 3.071 7.241 11.345 1.00 10.01 H new ATOM 0 HG2 MET A 112 1.444 8.700 12.006 1.00 13.42 H new ATOM 0 HG3 MET A 112 1.751 9.331 10.400 1.00 13.42 H new ATOM 0 HE1 MET A 112 -0.863 9.649 8.671 1.00 54.32 H new ATOM 0 HE2 MET A 112 0.650 8.744 8.424 1.00 54.32 H new ATOM 0 HE3 MET A 112 -0.918 7.929 8.217 1.00 54.32 H new ATOM 1803 N THR A 113 3.215 9.086 7.718 1.00 3.00 N ATOM 1804 CA THR A 113 3.775 10.378 7.316 1.00 5.43 C ATOM 1805 C THR A 113 3.243 10.828 5.948 1.00 73.03 C ATOM 1806 O THR A 113 3.117 12.022 5.695 1.00 34.32 O ATOM 1807 CB THR A 113 5.325 10.354 7.277 1.00 50.14 C ATOM 1808 OG1 THR A 113 5.839 11.673 7.063 1.00 51.42 O ATOM 1809 CG2 THR A 113 5.845 9.437 6.180 1.00 34.34 C ATOM 0 H THR A 113 2.586 8.668 7.032 1.00 3.00 H new ATOM 0 HA THR A 113 3.455 11.093 8.074 1.00 5.43 H new ATOM 0 HB THR A 113 5.665 9.973 8.240 1.00 50.14 H new ATOM 0 HG1 THR A 113 6.818 11.643 7.042 1.00 51.42 H new ATOM 0 HG21 THR A 113 6.935 9.447 6.184 1.00 34.34 H new ATOM 0 HG22 THR A 113 5.490 8.421 6.356 1.00 34.34 H new ATOM 0 HG23 THR A 113 5.483 9.785 5.213 1.00 34.34 H new ATOM 1817 N LEU A 114 2.907 9.863 5.084 1.00 70.21 N ATOM 1818 CA LEU A 114 2.515 10.152 3.693 1.00 34.12 C ATOM 1819 C LEU A 114 1.475 11.285 3.559 1.00 53.54 C ATOM 1820 O LEU A 114 1.649 12.159 2.709 1.00 73.30 O ATOM 1821 CB LEU A 114 1.994 8.888 3.008 1.00 5.11 C ATOM 1822 CG LEU A 114 2.792 8.420 1.784 1.00 21.35 C ATOM 1823 CD1 LEU A 114 2.808 9.491 0.703 1.00 71.52 C ATOM 1824 CD2 LEU A 114 4.209 8.041 2.181 1.00 14.42 C ATOM 0 H LEU A 114 2.898 8.871 5.321 1.00 70.21 H new ATOM 0 HA LEU A 114 3.421 10.502 3.198 1.00 34.12 H new ATOM 0 HB2 LEU A 114 1.978 8.080 3.740 1.00 5.11 H new ATOM 0 HB3 LEU A 114 0.962 9.061 2.702 1.00 5.11 H new ATOM 0 HG LEU A 114 2.300 7.536 1.378 1.00 21.35 H new ATOM 0 HD11 LEU A 114 3.380 9.135 -0.154 1.00 71.52 H new ATOM 0 HD12 LEU A 114 1.786 9.709 0.392 1.00 71.52 H new ATOM 0 HD13 LEU A 114 3.269 10.397 1.096 1.00 71.52 H new ATOM 0 HD21 LEU A 114 4.758 7.712 1.299 1.00 14.42 H new ATOM 0 HD22 LEU A 114 4.708 8.906 2.618 1.00 14.42 H new ATOM 0 HD23 LEU A 114 4.178 7.233 2.912 1.00 14.42 H new ATOM 1836 N PRO A 115 0.381 11.290 4.365 1.00 4.42 N ATOM 1837 CA PRO A 115 -0.630 12.371 4.332 1.00 63.55 C ATOM 1838 C PRO A 115 -0.030 13.784 4.346 1.00 61.32 C ATOM 1839 O PRO A 115 -0.598 14.713 3.768 1.00 74.13 O ATOM 1840 CB PRO A 115 -1.446 12.131 5.602 1.00 44.13 C ATOM 1841 CG PRO A 115 -1.384 10.661 5.812 1.00 64.51 C ATOM 1842 CD PRO A 115 0.003 10.233 5.331 1.00 43.41 C ATOM 0 HA PRO A 115 -1.208 12.335 3.409 1.00 63.55 H new ATOM 0 HB2 PRO A 115 -1.027 12.671 6.451 1.00 44.13 H new ATOM 0 HB3 PRO A 115 -2.474 12.472 5.483 1.00 44.13 H new ATOM 0 HG2 PRO A 115 -1.529 10.409 6.862 1.00 64.51 H new ATOM 0 HG3 PRO A 115 -2.168 10.152 5.251 1.00 64.51 H new ATOM 0 HD2 PRO A 115 0.712 10.173 6.157 1.00 43.41 H new ATOM 0 HD3 PRO A 115 -0.022 9.250 4.860 1.00 43.41 H new ATOM 1850 N THR A 116 1.113 13.953 5.002 1.00 33.01 N ATOM 1851 CA THR A 116 1.773 15.253 5.041 1.00 2.01 C ATOM 1852 C THR A 116 3.040 15.238 4.185 1.00 52.50 C ATOM 1853 O THR A 116 3.539 16.284 3.768 1.00 62.32 O ATOM 1854 CB THR A 116 2.097 15.690 6.494 1.00 15.14 C ATOM 1855 OG1 THR A 116 2.479 17.071 6.525 1.00 44.42 O ATOM 1856 CG2 THR A 116 3.206 14.843 7.097 1.00 22.35 C ATOM 0 H THR A 116 1.598 13.213 5.510 1.00 33.01 H new ATOM 0 HA THR A 116 1.081 15.986 4.627 1.00 2.01 H new ATOM 0 HB THR A 116 1.194 15.547 7.088 1.00 15.14 H new ATOM 0 HG1 THR A 116 2.679 17.334 7.447 1.00 44.42 H new ATOM 0 HG21 THR A 116 3.406 15.177 8.115 1.00 22.35 H new ATOM 0 HG22 THR A 116 2.898 13.798 7.112 1.00 22.35 H new ATOM 0 HG23 THR A 116 4.110 14.946 6.497 1.00 22.35 H new ATOM 1864 N ALA A 117 3.541 14.042 3.897 1.00 65.40 N ATOM 1865 CA ALA A 117 4.686 13.885 3.015 1.00 30.31 C ATOM 1866 C ALA A 117 4.384 14.492 1.652 1.00 62.42 C ATOM 1867 O ALA A 117 5.212 15.193 1.082 1.00 41.20 O ATOM 1868 CB ALA A 117 5.062 12.418 2.881 1.00 34.23 C ATOM 0 H ALA A 117 3.169 13.166 4.264 1.00 65.40 H new ATOM 0 HA ALA A 117 5.536 14.412 3.449 1.00 30.31 H new ATOM 0 HB1 ALA A 117 5.921 12.322 2.217 1.00 34.23 H new ATOM 0 HB2 ALA A 117 5.315 12.016 3.862 1.00 34.23 H new ATOM 0 HB3 ALA A 117 4.220 11.863 2.468 1.00 34.23 H new ATOM 1874 N VAL A 118 3.179 14.242 1.148 1.00 4.24 N ATOM 1875 CA VAL A 118 2.750 14.835 -0.112 1.00 15.24 C ATOM 1876 C VAL A 118 2.678 16.354 0.006 1.00 31.42 C ATOM 1877 O VAL A 118 3.065 17.076 -0.914 1.00 74.15 O ATOM 1878 CB VAL A 118 1.385 14.278 -0.589 1.00 20.35 C ATOM 1879 CG1 VAL A 118 1.512 12.813 -0.970 1.00 51.02 C ATOM 1880 CG2 VAL A 118 0.308 14.458 0.474 1.00 34.10 C ATOM 0 H VAL A 118 2.487 13.637 1.590 1.00 4.24 H new ATOM 0 HA VAL A 118 3.496 14.565 -0.859 1.00 15.24 H new ATOM 0 HB VAL A 118 1.084 14.846 -1.469 1.00 20.35 H new ATOM 0 HG11 VAL A 118 0.544 12.438 -1.303 1.00 51.02 H new ATOM 0 HG12 VAL A 118 2.238 12.708 -1.776 1.00 51.02 H new ATOM 0 HG13 VAL A 118 1.845 12.240 -0.105 1.00 51.02 H new ATOM 0 HG21 VAL A 118 -0.636 14.057 0.107 1.00 34.10 H new ATOM 0 HG22 VAL A 118 0.599 13.928 1.381 1.00 34.10 H new ATOM 0 HG23 VAL A 118 0.190 15.519 0.696 1.00 34.10 H new ATOM 1890 N GLN A 119 2.235 16.830 1.169 1.00 60.34 N ATOM 1891 CA GLN A 119 2.120 18.259 1.428 1.00 10.33 C ATOM 1892 C GLN A 119 3.506 18.897 1.492 1.00 5.12 C ATOM 1893 O GLN A 119 3.643 20.109 1.407 1.00 54.20 O ATOM 1894 CB GLN A 119 1.360 18.498 2.740 1.00 41.13 C ATOM 1895 CG GLN A 119 0.243 19.532 2.636 1.00 40.51 C ATOM 1896 CD GLN A 119 0.624 20.914 3.152 1.00 1.41 C ATOM 1897 OE1 GLN A 119 -0.227 21.655 3.644 1.00 62.12 O ATOM 1898 NE2 GLN A 119 1.888 21.282 3.035 1.00 31.04 N ATOM 0 H GLN A 119 1.949 16.240 1.950 1.00 60.34 H new ATOM 0 HA GLN A 119 1.563 18.721 0.613 1.00 10.33 H new ATOM 0 HB2 GLN A 119 0.935 17.553 3.078 1.00 41.13 H new ATOM 0 HB3 GLN A 119 2.068 18.820 3.504 1.00 41.13 H new ATOM 0 HG2 GLN A 119 -0.063 19.617 1.593 1.00 40.51 H new ATOM 0 HG3 GLN A 119 -0.622 19.174 3.194 1.00 40.51 H new ATOM 0 HE21 GLN A 119 2.569 20.644 2.623 1.00 31.04 H new ATOM 0 HE22 GLN A 119 2.183 22.204 3.357 1.00 31.04 H new ATOM 1907 N ALA A 120 4.528 18.072 1.658 1.00 70.44 N ATOM 1908 CA ALA A 120 5.900 18.556 1.652 1.00 22.20 C ATOM 1909 C ALA A 120 6.540 18.403 0.272 1.00 43.12 C ATOM 1910 O ALA A 120 7.113 19.348 -0.262 1.00 22.01 O ATOM 1911 CB ALA A 120 6.716 17.819 2.698 1.00 2.32 C ATOM 0 H ALA A 120 4.434 17.066 1.798 1.00 70.44 H new ATOM 0 HA ALA A 120 5.885 19.619 1.894 1.00 22.20 H new ATOM 0 HB1 ALA A 120 7.742 18.188 2.686 1.00 2.32 H new ATOM 0 HB2 ALA A 120 6.281 17.987 3.683 1.00 2.32 H new ATOM 0 HB3 ALA A 120 6.712 16.752 2.477 1.00 2.32 H new ATOM 1917 N PHE A 121 6.408 17.219 -0.312 1.00 2.44 N ATOM 1918 CA PHE A 121 7.125 16.883 -1.541 1.00 54.32 C ATOM 1919 C PHE A 121 6.649 17.675 -2.758 1.00 24.31 C ATOM 1920 O PHE A 121 7.456 18.340 -3.410 1.00 21.53 O ATOM 1921 CB PHE A 121 7.041 15.382 -1.837 1.00 52.42 C ATOM 1922 CG PHE A 121 7.926 14.541 -0.959 1.00 10.42 C ATOM 1923 CD1 PHE A 121 9.295 14.762 -0.923 1.00 0.15 C ATOM 1924 CD2 PHE A 121 7.396 13.528 -0.178 1.00 4.44 C ATOM 1925 CE1 PHE A 121 10.115 13.989 -0.123 1.00 23.33 C ATOM 1926 CE2 PHE A 121 8.212 12.752 0.625 1.00 1.51 C ATOM 1927 CZ PHE A 121 9.573 12.984 0.653 1.00 34.14 C ATOM 0 H PHE A 121 5.811 16.473 0.044 1.00 2.44 H new ATOM 0 HA PHE A 121 8.163 17.163 -1.361 1.00 54.32 H new ATOM 0 HB2 PHE A 121 6.008 15.054 -1.717 1.00 52.42 H new ATOM 0 HB3 PHE A 121 7.310 15.211 -2.879 1.00 52.42 H new ATOM 0 HD1 PHE A 121 9.725 15.547 -1.527 1.00 0.15 H new ATOM 0 HD2 PHE A 121 6.332 13.342 -0.196 1.00 4.44 H new ATOM 0 HE1 PHE A 121 11.179 14.171 -0.105 1.00 23.33 H new ATOM 0 HE2 PHE A 121 7.785 11.965 1.230 1.00 1.51 H new ATOM 0 HZ PHE A 121 10.212 12.381 1.281 1.00 34.14 H new ATOM 1937 N ARG A 122 5.353 17.630 -3.067 1.00 0.32 N ATOM 1938 CA ARG A 122 4.872 18.183 -4.342 1.00 44.11 C ATOM 1939 C ARG A 122 4.661 19.699 -4.288 1.00 20.13 C ATOM 1940 O ARG A 122 3.935 20.259 -5.111 1.00 70.20 O ATOM 1941 CB ARG A 122 3.593 17.478 -4.818 1.00 31.25 C ATOM 1942 CG ARG A 122 2.474 17.423 -3.793 1.00 63.42 C ATOM 1943 CD ARG A 122 1.184 16.896 -4.405 1.00 70.11 C ATOM 1944 NE ARG A 122 0.525 17.909 -5.228 1.00 55.12 N ATOM 1945 CZ ARG A 122 -0.334 17.649 -6.212 1.00 13.34 C ATOM 1946 NH1 ARG A 122 -0.575 16.401 -6.596 1.00 53.41 N ATOM 1947 NH2 ARG A 122 -0.936 18.648 -6.837 1.00 25.42 N ATOM 0 H ARG A 122 4.629 17.228 -2.471 1.00 0.32 H new ATOM 0 HA ARG A 122 5.662 17.993 -5.069 1.00 44.11 H new ATOM 0 HB2 ARG A 122 3.225 17.987 -5.709 1.00 31.25 H new ATOM 0 HB3 ARG A 122 3.845 16.460 -5.114 1.00 31.25 H new ATOM 0 HG2 ARG A 122 2.771 16.784 -2.962 1.00 63.42 H new ATOM 0 HG3 ARG A 122 2.304 18.419 -3.384 1.00 63.42 H new ATOM 0 HD2 ARG A 122 1.401 16.018 -5.013 1.00 70.11 H new ATOM 0 HD3 ARG A 122 0.509 16.575 -3.612 1.00 70.11 H new ATOM 0 HE ARG A 122 0.739 18.887 -5.034 1.00 55.12 H new ATOM 0 HH11 ARG A 122 -0.099 15.625 -6.136 1.00 53.41 H new ATOM 0 HH12 ARG A 122 -1.236 16.218 -7.351 1.00 53.41 H new ATOM 0 HH21 ARG A 122 -0.741 19.611 -6.564 1.00 25.42 H new ATOM 0 HH22 ARG A 122 -1.595 18.455 -7.591 1.00 25.42 H new ATOM 1961 N ARG A 123 5.302 20.364 -3.336 1.00 44.03 N ATOM 1962 CA ARG A 123 5.319 21.825 -3.306 1.00 72.24 C ATOM 1963 C ARG A 123 6.717 22.339 -2.979 1.00 25.53 C ATOM 1964 O ARG A 123 6.938 23.548 -2.908 1.00 70.00 O ATOM 1965 CB ARG A 123 4.284 22.365 -2.307 1.00 75.42 C ATOM 1966 CG ARG A 123 4.385 21.779 -0.905 1.00 61.34 C ATOM 1967 CD ARG A 123 5.524 22.387 -0.098 1.00 33.55 C ATOM 1968 NE ARG A 123 5.294 23.800 0.202 1.00 31.12 N ATOM 1969 CZ ARG A 123 6.187 24.584 0.803 1.00 45.31 C ATOM 1970 NH1 ARG A 123 7.410 24.138 1.050 1.00 11.45 N ATOM 1971 NH2 ARG A 123 5.871 25.834 1.117 1.00 25.53 N ATOM 0 H ARG A 123 5.816 19.919 -2.576 1.00 44.03 H new ATOM 0 HA ARG A 123 5.047 22.190 -4.296 1.00 72.24 H new ATOM 0 HB2 ARG A 123 4.393 23.448 -2.242 1.00 75.42 H new ATOM 0 HB3 ARG A 123 3.286 22.168 -2.697 1.00 75.42 H new ATOM 0 HG2 ARG A 123 3.444 21.941 -0.379 1.00 61.34 H new ATOM 0 HG3 ARG A 123 4.529 20.701 -0.975 1.00 61.34 H new ATOM 0 HD2 ARG A 123 5.643 21.834 0.834 1.00 33.55 H new ATOM 0 HD3 ARG A 123 6.457 22.282 -0.652 1.00 33.55 H new ATOM 0 HE ARG A 123 4.398 24.208 -0.064 1.00 31.12 H new ATOM 0 HH11 ARG A 123 7.671 23.190 0.780 1.00 11.45 H new ATOM 0 HH12 ARG A 123 8.090 24.743 1.511 1.00 11.45 H new ATOM 0 HH21 ARG A 123 4.943 26.196 0.898 1.00 25.53 H new ATOM 0 HH22 ARG A 123 6.556 26.433 1.577 1.00 25.53 H new ATOM 1985 N ARG A 124 7.649 21.398 -2.801 1.00 72.22 N ATOM 1986 CA ARG A 124 9.035 21.698 -2.431 1.00 14.03 C ATOM 1987 C ARG A 124 9.101 22.617 -1.212 1.00 42.54 C ATOM 1988 O ARG A 124 8.830 22.139 -0.089 1.00 3.05 O ATOM 1989 CB ARG A 124 9.800 22.323 -3.607 1.00 31.21 C ATOM 1990 CG ARG A 124 9.761 21.493 -4.883 1.00 11.50 C ATOM 1991 CD ARG A 124 10.114 20.032 -4.628 1.00 31.22 C ATOM 1992 NE ARG A 124 11.448 19.865 -4.050 1.00 44.04 N ATOM 1993 CZ ARG A 124 11.770 18.883 -3.209 1.00 62.33 C ATOM 1994 NH1 ARG A 124 10.852 18.005 -2.822 1.00 33.50 N ATOM 1995 NH2 ARG A 124 13.010 18.770 -2.753 1.00 53.05 N ATOM 0 H ARG A 124 7.462 20.401 -2.910 1.00 72.22 H new ATOM 0 HA ARG A 124 9.511 20.752 -2.172 1.00 14.03 H new ATOM 0 HB2 ARG A 124 9.384 23.309 -3.814 1.00 31.21 H new ATOM 0 HB3 ARG A 124 10.839 22.471 -3.314 1.00 31.21 H new ATOM 0 HG2 ARG A 124 8.766 21.553 -5.324 1.00 11.50 H new ATOM 0 HG3 ARG A 124 10.457 21.912 -5.609 1.00 11.50 H new ATOM 0 HD2 ARG A 124 9.375 19.596 -3.956 1.00 31.22 H new ATOM 0 HD3 ARG A 124 10.057 19.480 -5.566 1.00 31.22 H new ATOM 0 HE ARG A 124 12.171 20.538 -4.305 1.00 44.04 H new ATOM 0 HH11 ARG A 124 9.896 18.081 -3.169 1.00 33.50 H new ATOM 0 HH12 ARG A 124 11.103 17.255 -2.178 1.00 33.50 H new ATOM 0 HH21 ARG A 124 13.724 19.437 -3.046 1.00 53.05 H new ATOM 0 HH22 ARG A 124 13.250 18.016 -2.109 1.00 53.05 H new TER 2009 ARG A 124