USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 922 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 103 TYR OH : rot 56:sc= 0.315 USER MOD Set 1.2: A 107 HIS : no HD1:sc= 0.289 K(o=0.6,f=0) USER MOD Set 2.1: A 61 THR OG1 : rot -78:sc= 0.0967 USER MOD Set 2.2: A 74 HIS : no HD1:sc= -2.5 K(o=-2.4,f=-3.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -131:sc= -0.125 (180deg=-2.22!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0201 USER MOD Single : A 24 CYS SG : rot 180:sc= -2.25 USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.7) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.622 K(o=-0.62,f=-10!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 41:sc= 0.575 USER MOD Single : A 62 THR OG1 : rot 25:sc= 0.106 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 65 MET CE :methyl -140:sc= 0 (180deg=-0.0484) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.679 K(o=-0.68,f=-1.4) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -1.01! C(o=-1!,f=-1.7!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -165:sc= -0.0123 (180deg=-0.156) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 40:sc= -3.14! USER MOD Single : A 95 THR OG1 : rot 180:sc=-0.00952 USER MOD Single : A 96 SER OG : rot 153:sc= -1.42! USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -27:sc= 0.462 USER MOD Single : A 109 LYS NZ :NH3+ -163:sc= -0.125 (180deg=-0.457) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 34.054 -7.134 -35.172 1.00 0.00 N ATOM 2 CA GLY A 1 33.351 -5.918 -34.808 1.00 0.00 C ATOM 3 C GLY A 1 31.890 -6.166 -34.488 1.00 0.00 C ATOM 4 O GLY A 1 31.115 -6.561 -35.359 1.00 0.00 O ATOM 0 H1 GLY A 1 35.048 -6.911 -35.381 1.00 0.00 H new ATOM 0 H2 GLY A 1 34.009 -7.810 -34.383 1.00 0.00 H new ATOM 0 H3 GLY A 1 33.609 -7.554 -36.013 1.00 0.00 H new ATOM 0 HA2 GLY A 1 33.837 -5.466 -33.944 1.00 0.00 H new ATOM 0 HA3 GLY A 1 33.424 -5.201 -35.626 1.00 0.00 H new ATOM 8 N SER A 2 31.514 -5.937 -33.233 1.00 0.00 N ATOM 9 CA SER A 2 30.137 -6.144 -32.799 1.00 0.00 C ATOM 10 C SER A 2 29.909 -5.546 -31.415 1.00 0.00 C ATOM 11 O SER A 2 30.856 -5.159 -30.729 1.00 0.00 O ATOM 12 CB SER A 2 29.805 -7.638 -32.783 1.00 0.00 C ATOM 13 OG SER A 2 28.405 -7.849 -32.856 1.00 0.00 O ATOM 0 H SER A 2 32.143 -5.609 -32.500 1.00 0.00 H new ATOM 0 HA SER A 2 29.478 -5.640 -33.506 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.295 -8.132 -33.622 1.00 0.00 H new ATOM 0 HB3 SER A 2 30.198 -8.092 -31.873 1.00 0.00 H new ATOM 0 HG SER A 2 28.218 -8.811 -32.846 1.00 0.00 H new ATOM 19 N SER A 3 28.646 -5.474 -31.008 1.00 0.00 N ATOM 20 CA SER A 3 28.291 -4.919 -29.707 1.00 0.00 C ATOM 21 C SER A 3 26.823 -5.183 -29.386 1.00 0.00 C ATOM 22 O SER A 3 26.061 -5.634 -30.240 1.00 0.00 O ATOM 23 CB SER A 3 28.570 -3.415 -29.677 1.00 0.00 C ATOM 24 OG SER A 3 27.632 -2.707 -30.468 1.00 0.00 O ATOM 0 H SER A 3 27.851 -5.793 -31.561 1.00 0.00 H new ATOM 0 HA SER A 3 28.904 -5.410 -28.951 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.529 -3.055 -28.649 1.00 0.00 H new ATOM 0 HB3 SER A 3 29.578 -3.222 -30.043 1.00 0.00 H new ATOM 0 HG SER A 3 27.831 -1.748 -30.431 1.00 0.00 H new ATOM 30 N GLY A 4 26.434 -4.897 -28.147 1.00 0.00 N ATOM 31 CA GLY A 4 25.059 -5.109 -27.734 1.00 0.00 C ATOM 32 C GLY A 4 24.683 -4.279 -26.522 1.00 0.00 C ATOM 33 O GLY A 4 24.122 -3.191 -26.657 1.00 0.00 O ATOM 0 H GLY A 4 27.046 -4.522 -27.422 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.393 -4.862 -28.560 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.909 -6.165 -27.508 1.00 0.00 H new ATOM 37 N SER A 5 24.991 -4.794 -25.337 1.00 0.00 N ATOM 38 CA SER A 5 24.677 -4.095 -24.095 1.00 0.00 C ATOM 39 C SER A 5 23.169 -3.926 -23.933 1.00 0.00 C ATOM 40 O SER A 5 22.692 -2.870 -23.518 1.00 0.00 O ATOM 41 CB SER A 5 25.360 -2.727 -24.068 1.00 0.00 C ATOM 42 OG SER A 5 26.761 -2.852 -24.245 1.00 0.00 O ATOM 0 H SER A 5 25.457 -5.692 -25.210 1.00 0.00 H new ATOM 0 HA SER A 5 25.049 -4.696 -23.265 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.946 -2.095 -24.854 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.153 -2.232 -23.119 1.00 0.00 H new ATOM 0 HG SER A 5 27.174 -1.963 -24.226 1.00 0.00 H new ATOM 48 N SER A 6 22.424 -4.976 -24.265 1.00 0.00 N ATOM 49 CA SER A 6 20.970 -4.944 -24.161 1.00 0.00 C ATOM 50 C SER A 6 20.398 -6.357 -24.100 1.00 0.00 C ATOM 51 O SER A 6 20.947 -7.286 -24.690 1.00 0.00 O ATOM 52 CB SER A 6 20.369 -4.189 -25.348 1.00 0.00 C ATOM 53 OG SER A 6 20.876 -4.681 -26.576 1.00 0.00 O ATOM 0 H SER A 6 22.803 -5.859 -24.608 1.00 0.00 H new ATOM 0 HA SER A 6 20.708 -4.425 -23.239 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.284 -4.288 -25.334 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.594 -3.126 -25.258 1.00 0.00 H new ATOM 0 HG SER A 6 20.475 -4.183 -27.319 1.00 0.00 H new ATOM 59 N GLY A 7 19.291 -6.511 -23.380 1.00 0.00 N ATOM 60 CA GLY A 7 18.662 -7.813 -23.254 1.00 0.00 C ATOM 61 C GLY A 7 17.678 -8.092 -24.374 1.00 0.00 C ATOM 62 O GLY A 7 16.537 -8.479 -24.122 1.00 0.00 O ATOM 0 H GLY A 7 18.818 -5.757 -22.881 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.431 -8.586 -23.249 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.144 -7.872 -22.297 1.00 0.00 H new ATOM 66 N GLU A 8 18.120 -7.893 -25.611 1.00 0.00 N ATOM 67 CA GLU A 8 17.268 -8.125 -26.772 1.00 0.00 C ATOM 68 C GLU A 8 17.052 -9.618 -27.000 1.00 0.00 C ATOM 69 O GLU A 8 16.292 -10.019 -27.883 1.00 0.00 O ATOM 70 CB GLU A 8 17.885 -7.491 -28.020 1.00 0.00 C ATOM 71 CG GLU A 8 16.909 -7.344 -29.175 1.00 0.00 C ATOM 72 CD GLU A 8 15.926 -6.209 -28.968 1.00 0.00 C ATOM 73 OE1 GLU A 8 16.304 -5.206 -28.327 1.00 0.00 O ATOM 74 OE2 GLU A 8 14.778 -6.324 -29.447 1.00 0.00 O ATOM 0 H GLU A 8 19.062 -7.572 -25.836 1.00 0.00 H new ATOM 0 HA GLU A 8 16.301 -7.662 -26.578 1.00 0.00 H new ATOM 0 HB2 GLU A 8 18.279 -6.508 -27.761 1.00 0.00 H new ATOM 0 HB3 GLU A 8 18.730 -8.097 -28.345 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.466 -7.174 -30.097 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.360 -8.277 -29.302 1.00 0.00 H new ATOM 81 N VAL A 9 17.725 -10.436 -26.198 1.00 0.00 N ATOM 82 CA VAL A 9 17.607 -11.885 -26.311 1.00 0.00 C ATOM 83 C VAL A 9 16.320 -12.384 -25.662 1.00 0.00 C ATOM 84 O VAL A 9 15.799 -13.439 -26.024 1.00 0.00 O ATOM 85 CB VAL A 9 18.807 -12.598 -25.659 1.00 0.00 C ATOM 86 CG1 VAL A 9 18.613 -14.107 -25.691 1.00 0.00 C ATOM 87 CG2 VAL A 9 20.102 -12.204 -26.354 1.00 0.00 C ATOM 0 H VAL A 9 18.358 -10.120 -25.463 1.00 0.00 H new ATOM 0 HA VAL A 9 17.589 -12.119 -27.375 1.00 0.00 H new ATOM 0 HB VAL A 9 18.871 -12.286 -24.617 1.00 0.00 H new ATOM 0 HG11 VAL A 9 19.470 -14.594 -25.226 1.00 0.00 H new ATOM 0 HG12 VAL A 9 17.707 -14.369 -25.145 1.00 0.00 H new ATOM 0 HG13 VAL A 9 18.523 -14.440 -26.725 1.00 0.00 H new ATOM 0 HG21 VAL A 9 20.939 -12.717 -25.881 1.00 0.00 H new ATOM 0 HG22 VAL A 9 20.051 -12.486 -27.406 1.00 0.00 H new ATOM 0 HG23 VAL A 9 20.244 -11.126 -26.274 1.00 0.00 H new ATOM 97 N LEU A 10 15.813 -11.618 -24.702 1.00 0.00 N ATOM 98 CA LEU A 10 14.586 -11.982 -24.002 1.00 0.00 C ATOM 99 C LEU A 10 13.366 -11.381 -24.694 1.00 0.00 C ATOM 100 O LEU A 10 13.090 -10.189 -24.561 1.00 0.00 O ATOM 101 CB LEU A 10 14.646 -11.510 -22.548 1.00 0.00 C ATOM 102 CG LEU A 10 15.239 -12.501 -21.546 1.00 0.00 C ATOM 103 CD1 LEU A 10 15.316 -11.878 -20.161 1.00 0.00 C ATOM 104 CD2 LEU A 10 14.418 -13.782 -21.511 1.00 0.00 C ATOM 0 H LEU A 10 16.232 -10.742 -24.391 1.00 0.00 H new ATOM 0 HA LEU A 10 14.494 -13.068 -24.021 1.00 0.00 H new ATOM 0 HB2 LEU A 10 15.230 -10.591 -22.509 1.00 0.00 H new ATOM 0 HB3 LEU A 10 13.635 -11.259 -22.226 1.00 0.00 H new ATOM 0 HG LEU A 10 16.250 -12.750 -21.867 1.00 0.00 H new ATOM 0 HD11 LEU A 10 15.740 -12.598 -19.461 1.00 0.00 H new ATOM 0 HD12 LEU A 10 15.947 -10.990 -20.196 1.00 0.00 H new ATOM 0 HD13 LEU A 10 14.315 -11.599 -19.832 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.855 -14.475 -20.792 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.395 -13.550 -21.215 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.415 -14.239 -22.500 1.00 0.00 H new ATOM 116 N ALA A 11 12.639 -12.215 -25.429 1.00 0.00 N ATOM 117 CA ALA A 11 11.446 -11.767 -26.138 1.00 0.00 C ATOM 118 C ALA A 11 10.459 -11.101 -25.185 1.00 0.00 C ATOM 119 O ALA A 11 10.749 -10.919 -24.003 1.00 0.00 O ATOM 120 CB ALA A 11 10.786 -12.936 -26.853 1.00 0.00 C ATOM 0 H ALA A 11 12.855 -13.205 -25.549 1.00 0.00 H new ATOM 0 HA ALA A 11 11.750 -11.028 -26.879 1.00 0.00 H new ATOM 0 HB1 ALA A 11 9.897 -12.586 -27.378 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.485 -13.366 -27.570 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.502 -13.695 -26.124 1.00 0.00 H new ATOM 126 N LYS A 12 9.292 -10.740 -25.707 1.00 0.00 N ATOM 127 CA LYS A 12 8.260 -10.094 -24.904 1.00 0.00 C ATOM 128 C LYS A 12 7.901 -10.949 -23.693 1.00 0.00 C ATOM 129 O LYS A 12 7.525 -12.113 -23.832 1.00 0.00 O ATOM 130 CB LYS A 12 7.011 -9.839 -25.750 1.00 0.00 C ATOM 131 CG LYS A 12 6.063 -11.023 -25.807 1.00 0.00 C ATOM 132 CD LYS A 12 6.728 -12.241 -26.429 1.00 0.00 C ATOM 133 CE LYS A 12 6.852 -12.098 -27.938 1.00 0.00 C ATOM 134 NZ LYS A 12 7.648 -13.205 -28.537 1.00 0.00 N ATOM 0 H LYS A 12 9.037 -10.884 -26.684 1.00 0.00 H new ATOM 0 HA LYS A 12 8.652 -9.140 -24.551 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.479 -8.977 -25.347 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.316 -9.579 -26.764 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.723 -11.267 -24.800 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.179 -10.755 -26.385 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.717 -12.379 -25.993 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.148 -13.134 -26.193 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.858 -12.083 -28.384 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.322 -11.143 -28.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.370 -12.809 -29.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.112 -13.748 -27.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.019 -13.832 -29.077 1.00 0.00 H new ATOM 148 N GLU A 13 8.018 -10.364 -22.505 1.00 0.00 N ATOM 149 CA GLU A 13 7.704 -11.072 -21.270 1.00 0.00 C ATOM 150 C GLU A 13 7.222 -10.104 -20.194 1.00 0.00 C ATOM 151 O GLU A 13 7.872 -9.096 -19.915 1.00 0.00 O ATOM 152 CB GLU A 13 8.930 -11.839 -20.769 1.00 0.00 C ATOM 153 CG GLU A 13 9.212 -13.112 -21.548 1.00 0.00 C ATOM 154 CD GLU A 13 9.987 -14.133 -20.738 1.00 0.00 C ATOM 155 OE1 GLU A 13 10.735 -13.722 -19.826 1.00 0.00 O ATOM 156 OE2 GLU A 13 9.846 -15.342 -21.017 1.00 0.00 O ATOM 0 H GLU A 13 8.328 -9.401 -22.372 1.00 0.00 H new ATOM 0 HA GLU A 13 6.903 -11.780 -21.482 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.803 -11.188 -20.825 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.786 -12.090 -19.718 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.269 -13.551 -21.872 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.775 -12.865 -22.448 1.00 0.00 H new ATOM 163 N GLU A 14 6.078 -10.417 -19.593 1.00 0.00 N ATOM 164 CA GLU A 14 5.508 -9.573 -18.549 1.00 0.00 C ATOM 165 C GLU A 14 4.626 -10.390 -17.610 1.00 0.00 C ATOM 166 O GLU A 14 4.303 -11.544 -17.892 1.00 0.00 O ATOM 167 CB GLU A 14 4.695 -8.434 -19.168 1.00 0.00 C ATOM 168 CG GLU A 14 5.512 -7.182 -19.440 1.00 0.00 C ATOM 169 CD GLU A 14 4.659 -6.024 -19.921 1.00 0.00 C ATOM 170 OE1 GLU A 14 4.166 -6.087 -21.067 1.00 0.00 O ATOM 171 OE2 GLU A 14 4.485 -5.055 -19.152 1.00 0.00 O ATOM 0 H GLU A 14 5.528 -11.248 -19.811 1.00 0.00 H new ATOM 0 HA GLU A 14 6.330 -9.150 -17.972 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.254 -8.780 -20.103 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.871 -8.182 -18.500 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.036 -6.889 -18.530 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.273 -7.404 -20.189 1.00 0.00 H new ATOM 178 N ALA A 15 4.240 -9.784 -16.492 1.00 0.00 N ATOM 179 CA ALA A 15 3.395 -10.455 -15.513 1.00 0.00 C ATOM 180 C ALA A 15 2.298 -9.524 -15.005 1.00 0.00 C ATOM 181 O ALA A 15 2.581 -8.484 -14.408 1.00 0.00 O ATOM 182 CB ALA A 15 4.234 -10.966 -14.352 1.00 0.00 C ATOM 0 H ALA A 15 4.499 -8.830 -16.242 1.00 0.00 H new ATOM 0 HA ALA A 15 2.918 -11.304 -16.003 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.589 -11.465 -13.629 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.977 -11.672 -14.723 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.738 -10.128 -13.871 1.00 0.00 H new ATOM 188 N ARG A 16 1.048 -9.902 -15.246 1.00 0.00 N ATOM 189 CA ARG A 16 -0.091 -9.099 -14.814 1.00 0.00 C ATOM 190 C ARG A 16 -0.903 -9.834 -13.752 1.00 0.00 C ATOM 191 O ARG A 16 -2.080 -9.542 -13.545 1.00 0.00 O ATOM 192 CB ARG A 16 -0.983 -8.758 -16.009 1.00 0.00 C ATOM 193 CG ARG A 16 -0.564 -7.495 -16.742 1.00 0.00 C ATOM 194 CD ARG A 16 -1.179 -6.255 -16.113 1.00 0.00 C ATOM 195 NE ARG A 16 -0.749 -5.031 -16.783 1.00 0.00 N ATOM 196 CZ ARG A 16 -1.345 -3.854 -16.618 1.00 0.00 C ATOM 197 NH1 ARG A 16 -2.391 -3.745 -15.811 1.00 0.00 N ATOM 198 NH2 ARG A 16 -0.894 -2.785 -17.261 1.00 0.00 N ATOM 0 H ARG A 16 0.797 -10.759 -15.738 1.00 0.00 H new ATOM 0 HA ARG A 16 0.291 -8.175 -14.379 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.973 -9.594 -16.709 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.010 -8.643 -15.663 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.523 -7.410 -16.730 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.867 -7.562 -17.787 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.266 -6.328 -16.155 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.903 -6.208 -15.060 1.00 0.00 H new ATOM 0 HE ARG A 16 0.052 -5.082 -17.412 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.740 -4.565 -15.315 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.847 -2.841 -15.686 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.089 -2.866 -17.883 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.352 -1.882 -17.134 1.00 0.00 H new ATOM 212 N ARG A 17 -0.264 -10.788 -13.082 1.00 0.00 N ATOM 213 CA ARG A 17 -0.928 -11.566 -12.043 1.00 0.00 C ATOM 214 C ARG A 17 -1.037 -10.763 -10.749 1.00 0.00 C ATOM 215 O ARG A 17 -0.718 -11.262 -9.669 1.00 0.00 O ATOM 216 CB ARG A 17 -0.166 -12.867 -11.786 1.00 0.00 C ATOM 217 CG ARG A 17 -0.565 -14.001 -12.716 1.00 0.00 C ATOM 218 CD ARG A 17 -1.945 -14.541 -12.376 1.00 0.00 C ATOM 219 NE ARG A 17 -2.121 -15.918 -12.833 1.00 0.00 N ATOM 220 CZ ARG A 17 -3.219 -16.630 -12.613 1.00 0.00 C ATOM 221 NH1 ARG A 17 -4.235 -16.100 -11.947 1.00 0.00 N ATOM 222 NH2 ARG A 17 -3.304 -17.877 -13.061 1.00 0.00 N ATOM 0 H ARG A 17 0.712 -11.040 -13.240 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.934 -11.804 -12.388 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.902 -12.679 -11.893 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.333 -13.178 -10.755 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.555 -13.648 -13.747 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.168 -14.804 -12.647 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.097 -14.494 -11.298 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.705 -13.907 -12.833 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.358 -16.356 -13.349 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.174 -15.142 -11.602 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.078 -16.650 -11.780 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.525 -18.289 -13.575 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.148 -18.423 -12.891 1.00 0.00 H new ATOM 236 N ALA A 18 -1.488 -9.519 -10.867 1.00 0.00 N ATOM 237 CA ALA A 18 -1.639 -8.648 -9.707 1.00 0.00 C ATOM 238 C ALA A 18 -3.063 -8.701 -9.164 1.00 0.00 C ATOM 239 O ALA A 18 -3.829 -7.747 -9.309 1.00 0.00 O ATOM 240 CB ALA A 18 -1.263 -7.219 -10.068 1.00 0.00 C ATOM 0 H ALA A 18 -1.755 -9.091 -11.754 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.966 -9.003 -8.926 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.380 -6.580 -9.193 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.226 -7.189 -10.403 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.913 -6.863 -10.867 1.00 0.00 H new ATOM 246 N LEU A 19 -3.412 -9.820 -8.540 1.00 0.00 N ATOM 247 CA LEU A 19 -4.745 -9.998 -7.975 1.00 0.00 C ATOM 248 C LEU A 19 -4.697 -9.983 -6.450 1.00 0.00 C ATOM 249 O LEU A 19 -5.275 -9.105 -5.810 1.00 0.00 O ATOM 250 CB LEU A 19 -5.357 -11.311 -8.465 1.00 0.00 C ATOM 251 CG LEU A 19 -5.980 -11.282 -9.861 1.00 0.00 C ATOM 252 CD1 LEU A 19 -6.203 -12.696 -10.375 1.00 0.00 C ATOM 253 CD2 LEU A 19 -7.288 -10.506 -9.846 1.00 0.00 C ATOM 0 H LEU A 19 -2.790 -10.618 -8.412 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.368 -9.168 -8.308 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.582 -12.077 -8.451 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.123 -11.619 -7.754 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.289 -10.776 -10.536 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.647 -12.656 -11.370 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.248 -13.220 -10.425 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.874 -13.227 -9.700 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.717 -10.496 -10.848 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.986 -10.982 -9.157 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.100 -9.482 -9.522 1.00 0.00 H new ATOM 265 N GLU A 20 -4.002 -10.960 -5.876 1.00 0.00 N ATOM 266 CA GLU A 20 -3.877 -11.058 -4.426 1.00 0.00 C ATOM 267 C GLU A 20 -3.720 -9.675 -3.800 1.00 0.00 C ATOM 268 O GLU A 20 -4.251 -9.405 -2.722 1.00 0.00 O ATOM 269 CB GLU A 20 -2.682 -11.938 -4.053 1.00 0.00 C ATOM 270 CG GLU A 20 -1.447 -11.675 -4.896 1.00 0.00 C ATOM 271 CD GLU A 20 -0.212 -12.369 -4.354 1.00 0.00 C ATOM 272 OE1 GLU A 20 0.460 -11.785 -3.479 1.00 0.00 O ATOM 273 OE2 GLU A 20 0.083 -13.496 -4.806 1.00 0.00 O ATOM 0 H GLU A 20 -3.517 -11.694 -6.392 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.788 -11.513 -4.038 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.436 -11.777 -3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.966 -12.985 -4.157 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.630 -12.011 -5.917 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.265 -10.601 -4.942 1.00 0.00 H new ATOM 280 N THR A 21 -2.987 -8.802 -4.482 1.00 0.00 N ATOM 281 CA THR A 21 -2.758 -7.448 -3.994 1.00 0.00 C ATOM 282 C THR A 21 -2.883 -6.428 -5.119 1.00 0.00 C ATOM 283 O THR A 21 -2.587 -6.709 -6.281 1.00 0.00 O ATOM 284 CB THR A 21 -1.367 -7.313 -3.345 1.00 0.00 C ATOM 285 OG1 THR A 21 -0.403 -6.930 -4.332 1.00 0.00 O ATOM 286 CG2 THR A 21 -0.943 -8.621 -2.695 1.00 0.00 C ATOM 0 H THR A 21 -2.541 -9.009 -5.376 1.00 0.00 H new ATOM 0 HA THR A 21 -3.523 -7.250 -3.243 1.00 0.00 H new ATOM 0 HB THR A 21 -1.423 -6.545 -2.574 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.478 -6.844 -3.912 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.042 -8.501 -2.244 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.664 -8.895 -1.925 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.903 -9.406 -3.450 1.00 0.00 H new ATOM 294 N PRO A 22 -3.333 -5.213 -4.771 1.00 0.00 N ATOM 295 CA PRO A 22 -3.507 -4.126 -5.738 1.00 0.00 C ATOM 296 C PRO A 22 -2.175 -3.593 -6.256 1.00 0.00 C ATOM 297 O PRO A 22 -1.181 -3.570 -5.531 1.00 0.00 O ATOM 298 CB PRO A 22 -4.238 -3.048 -4.934 1.00 0.00 C ATOM 299 CG PRO A 22 -3.866 -3.317 -3.517 1.00 0.00 C ATOM 300 CD PRO A 22 -3.706 -4.807 -3.405 1.00 0.00 C ATOM 0 HA PRO A 22 -4.047 -4.454 -6.626 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.931 -2.048 -5.241 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.317 -3.109 -5.079 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.941 -2.805 -3.253 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.637 -2.955 -2.836 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.936 -5.075 -2.682 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.629 -5.287 -3.081 1.00 0.00 H new ATOM 308 N SER A 23 -2.163 -3.164 -7.514 1.00 0.00 N ATOM 309 CA SER A 23 -0.952 -2.633 -8.129 1.00 0.00 C ATOM 310 C SER A 23 -0.292 -1.597 -7.225 1.00 0.00 C ATOM 311 O SER A 23 0.933 -1.556 -7.099 1.00 0.00 O ATOM 312 CB SER A 23 -1.276 -2.009 -9.488 1.00 0.00 C ATOM 313 OG SER A 23 -2.182 -2.818 -10.218 1.00 0.00 O ATOM 0 H SER A 23 -2.978 -3.174 -8.127 1.00 0.00 H new ATOM 0 HA SER A 23 -0.256 -3.459 -8.273 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.705 -1.017 -9.343 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.357 -1.879 -10.060 1.00 0.00 H new ATOM 0 HG SER A 23 -2.374 -2.397 -11.082 1.00 0.00 H new ATOM 319 N CYS A 24 -1.112 -0.761 -6.597 1.00 0.00 N ATOM 320 CA CYS A 24 -0.609 0.277 -5.705 1.00 0.00 C ATOM 321 C CYS A 24 0.421 -0.292 -4.735 1.00 0.00 C ATOM 322 O CYS A 24 1.463 0.318 -4.490 1.00 0.00 O ATOM 323 CB CYS A 24 -1.762 0.912 -4.927 1.00 0.00 C ATOM 324 SG CYS A 24 -2.581 -0.211 -3.770 1.00 0.00 S ATOM 0 H CYS A 24 -2.128 -0.782 -6.689 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.126 1.041 -6.313 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.383 1.772 -4.375 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.500 1.288 -5.635 1.00 0.00 H new ATOM 0 HG CYS A 24 -3.540 0.419 -3.159 1.00 0.00 H new ATOM 330 N PHE A 25 0.124 -1.464 -4.184 1.00 0.00 N ATOM 331 CA PHE A 25 1.023 -2.115 -3.239 1.00 0.00 C ATOM 332 C PHE A 25 2.444 -2.176 -3.793 1.00 0.00 C ATOM 333 O PHE A 25 2.648 -2.192 -5.008 1.00 0.00 O ATOM 334 CB PHE A 25 0.528 -3.527 -2.920 1.00 0.00 C ATOM 335 CG PHE A 25 1.464 -4.306 -2.041 1.00 0.00 C ATOM 336 CD1 PHE A 25 1.371 -4.224 -0.661 1.00 0.00 C ATOM 337 CD2 PHE A 25 2.437 -5.123 -2.595 1.00 0.00 C ATOM 338 CE1 PHE A 25 2.230 -4.941 0.150 1.00 0.00 C ATOM 339 CE2 PHE A 25 3.299 -5.842 -1.790 1.00 0.00 C ATOM 340 CZ PHE A 25 3.196 -5.750 -0.416 1.00 0.00 C ATOM 0 H PHE A 25 -0.733 -1.983 -4.376 1.00 0.00 H new ATOM 0 HA PHE A 25 1.034 -1.525 -2.322 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.445 -3.461 -2.433 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.381 -4.071 -3.853 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.618 -3.592 -0.214 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.522 -5.198 -3.669 1.00 0.00 H new ATOM 0 HE1 PHE A 25 2.146 -4.869 1.224 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.052 -6.475 -2.235 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.870 -6.310 0.215 1.00 0.00 H new ATOM 350 N LEU A 26 3.422 -2.211 -2.895 1.00 0.00 N ATOM 351 CA LEU A 26 4.824 -2.269 -3.293 1.00 0.00 C ATOM 352 C LEU A 26 5.666 -2.957 -2.222 1.00 0.00 C ATOM 353 O LEU A 26 5.327 -2.930 -1.038 1.00 0.00 O ATOM 354 CB LEU A 26 5.361 -0.861 -3.552 1.00 0.00 C ATOM 355 CG LEU A 26 4.622 0.279 -2.849 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.775 0.163 -1.340 1.00 0.00 C ATOM 357 CD2 LEU A 26 5.134 1.627 -3.336 1.00 0.00 C ATOM 0 H LEU A 26 3.270 -2.200 -1.886 1.00 0.00 H new ATOM 0 HA LEU A 26 4.891 -2.851 -4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.407 -0.831 -3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.336 -0.676 -4.626 1.00 0.00 H new ATOM 0 HG LEU A 26 3.562 0.205 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.243 0.982 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.360 -0.787 -1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.832 0.211 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.597 2.426 -2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.199 1.711 -3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.973 1.711 -4.411 1.00 0.00 H new ATOM 369 N LYS A 27 6.764 -3.572 -2.645 1.00 0.00 N ATOM 370 CA LYS A 27 7.657 -4.263 -1.723 1.00 0.00 C ATOM 371 C LYS A 27 8.748 -3.325 -1.214 1.00 0.00 C ATOM 372 O LYS A 27 9.693 -3.007 -1.935 1.00 0.00 O ATOM 373 CB LYS A 27 8.293 -5.476 -2.409 1.00 0.00 C ATOM 374 CG LYS A 27 7.414 -6.714 -2.389 1.00 0.00 C ATOM 375 CD LYS A 27 7.388 -7.357 -1.012 1.00 0.00 C ATOM 376 CE LYS A 27 6.161 -8.237 -0.832 1.00 0.00 C ATOM 377 NZ LYS A 27 6.119 -8.860 0.520 1.00 0.00 N ATOM 0 H LYS A 27 7.057 -3.606 -3.621 1.00 0.00 H new ATOM 0 HA LYS A 27 7.067 -4.601 -0.871 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.522 -5.220 -3.443 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.240 -5.705 -1.920 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.400 -6.446 -2.686 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.781 -7.434 -3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.289 -7.954 -0.871 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.396 -6.581 -0.247 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.261 -7.641 -0.986 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.160 -9.018 -1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.133 -9.069 0.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.669 -9.742 0.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.526 -8.204 1.217 1.00 0.00 H new ATOM 391 N VAL A 28 8.610 -2.887 0.034 1.00 0.00 N ATOM 392 CA VAL A 28 9.585 -1.988 0.640 1.00 0.00 C ATOM 393 C VAL A 28 9.648 -2.186 2.150 1.00 0.00 C ATOM 394 O VAL A 28 8.747 -2.772 2.749 1.00 0.00 O ATOM 395 CB VAL A 28 9.252 -0.516 0.339 1.00 0.00 C ATOM 396 CG1 VAL A 28 8.864 -0.343 -1.122 1.00 0.00 C ATOM 397 CG2 VAL A 28 8.144 -0.022 1.256 1.00 0.00 C ATOM 0 H VAL A 28 7.833 -3.140 0.644 1.00 0.00 H new ATOM 0 HA VAL A 28 10.554 -2.229 0.204 1.00 0.00 H new ATOM 0 HB VAL A 28 10.142 0.085 0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.632 0.704 -1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.693 -0.655 -1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.989 -0.955 -1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.922 1.021 1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.249 -0.625 1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.466 -0.107 2.294 1.00 0.00 H new ATOM 407 N SER A 29 10.720 -1.690 2.761 1.00 0.00 N ATOM 408 CA SER A 29 10.903 -1.814 4.203 1.00 0.00 C ATOM 409 C SER A 29 10.020 -0.820 4.951 1.00 0.00 C ATOM 410 O SER A 29 9.238 -0.088 4.343 1.00 0.00 O ATOM 411 CB SER A 29 12.371 -1.588 4.573 1.00 0.00 C ATOM 412 OG SER A 29 13.099 -2.803 4.538 1.00 0.00 O ATOM 0 H SER A 29 11.474 -1.199 2.281 1.00 0.00 H new ATOM 0 HA SER A 29 10.612 -2.823 4.496 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.817 -0.873 3.882 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.435 -1.151 5.569 1.00 0.00 H new ATOM 0 HG SER A 29 14.034 -2.631 4.776 1.00 0.00 H new ATOM 418 N ARG A 30 10.150 -0.799 6.273 1.00 0.00 N ATOM 419 CA ARG A 30 9.364 0.103 7.105 1.00 0.00 C ATOM 420 C ARG A 30 9.742 1.557 6.837 1.00 0.00 C ATOM 421 O ARG A 30 8.876 2.427 6.735 1.00 0.00 O ATOM 422 CB ARG A 30 9.569 -0.224 8.585 1.00 0.00 C ATOM 423 CG ARG A 30 8.993 0.822 9.526 1.00 0.00 C ATOM 424 CD ARG A 30 9.228 0.452 10.981 1.00 0.00 C ATOM 425 NE ARG A 30 8.158 -0.388 11.512 1.00 0.00 N ATOM 426 CZ ARG A 30 7.975 -0.615 12.808 1.00 0.00 C ATOM 427 NH1 ARG A 30 8.787 -0.068 13.701 1.00 0.00 N ATOM 428 NH2 ARG A 30 6.977 -1.391 13.213 1.00 0.00 N ATOM 0 H ARG A 30 10.793 -1.397 6.791 1.00 0.00 H new ATOM 0 HA ARG A 30 8.313 -0.034 6.853 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.109 -1.188 8.802 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.636 -0.328 8.781 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.448 1.790 9.318 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.923 0.927 9.344 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.179 -0.072 11.073 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.306 1.361 11.578 1.00 0.00 H new ATOM 0 HE ARG A 30 7.515 -0.825 10.851 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.555 0.529 13.394 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.644 -0.244 14.695 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.350 -1.814 12.529 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.838 -1.565 14.208 1.00 0.00 H new ATOM 442 N LEU A 31 11.040 1.814 6.726 1.00 0.00 N ATOM 443 CA LEU A 31 11.534 3.163 6.471 1.00 0.00 C ATOM 444 C LEU A 31 11.454 3.501 4.986 1.00 0.00 C ATOM 445 O LEU A 31 10.895 4.528 4.603 1.00 0.00 O ATOM 446 CB LEU A 31 12.977 3.300 6.960 1.00 0.00 C ATOM 447 CG LEU A 31 13.167 3.401 8.474 1.00 0.00 C ATOM 448 CD1 LEU A 31 14.516 2.832 8.882 1.00 0.00 C ATOM 449 CD2 LEU A 31 13.034 4.846 8.933 1.00 0.00 C ATOM 0 H LEU A 31 11.770 1.106 6.808 1.00 0.00 H new ATOM 0 HA LEU A 31 10.903 3.864 7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.544 2.442 6.599 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.413 4.187 6.500 1.00 0.00 H new ATOM 0 HG LEU A 31 12.387 2.814 8.959 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.633 2.913 9.963 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.573 1.784 8.588 1.00 0.00 H new ATOM 0 HD13 LEU A 31 15.311 3.391 8.388 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.172 4.899 10.013 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.791 5.456 8.440 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.043 5.220 8.675 1.00 0.00 H new ATOM 461 N GLU A 32 12.015 2.628 4.155 1.00 0.00 N ATOM 462 CA GLU A 32 12.005 2.835 2.711 1.00 0.00 C ATOM 463 C GLU A 32 10.692 3.469 2.262 1.00 0.00 C ATOM 464 O GLU A 32 10.678 4.341 1.392 1.00 0.00 O ATOM 465 CB GLU A 32 12.218 1.506 1.982 1.00 0.00 C ATOM 466 CG GLU A 32 13.679 1.180 1.724 1.00 0.00 C ATOM 467 CD GLU A 32 14.436 0.845 2.995 1.00 0.00 C ATOM 468 OE1 GLU A 32 14.463 1.693 3.911 1.00 0.00 O ATOM 469 OE2 GLU A 32 15.000 -0.266 3.074 1.00 0.00 O ATOM 0 H GLU A 32 12.481 1.772 4.456 1.00 0.00 H new ATOM 0 HA GLU A 32 12.821 3.514 2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.774 0.703 2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.687 1.534 1.030 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.743 0.338 1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.156 2.029 1.235 1.00 0.00 H new ATOM 476 N ALA A 33 9.591 3.026 2.859 1.00 0.00 N ATOM 477 CA ALA A 33 8.275 3.551 2.522 1.00 0.00 C ATOM 478 C ALA A 33 8.094 4.967 3.058 1.00 0.00 C ATOM 479 O ALA A 33 7.607 5.850 2.353 1.00 0.00 O ATOM 480 CB ALA A 33 7.187 2.636 3.065 1.00 0.00 C ATOM 0 H ALA A 33 9.585 2.304 3.579 1.00 0.00 H new ATOM 0 HA ALA A 33 8.194 3.589 1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.209 3.041 2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.296 1.643 2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.276 2.568 4.149 1.00 0.00 H new ATOM 486 N GLN A 34 8.490 5.176 4.309 1.00 0.00 N ATOM 487 CA GLN A 34 8.370 6.485 4.940 1.00 0.00 C ATOM 488 C GLN A 34 9.078 7.553 4.115 1.00 0.00 C ATOM 489 O GLN A 34 8.602 8.684 4.003 1.00 0.00 O ATOM 490 CB GLN A 34 8.950 6.448 6.355 1.00 0.00 C ATOM 491 CG GLN A 34 8.355 7.494 7.284 1.00 0.00 C ATOM 492 CD GLN A 34 9.191 7.712 8.530 1.00 0.00 C ATOM 493 OE1 GLN A 34 10.231 8.369 8.484 1.00 0.00 O ATOM 494 NE2 GLN A 34 8.739 7.162 9.650 1.00 0.00 N ATOM 0 H GLN A 34 8.897 4.456 4.906 1.00 0.00 H new ATOM 0 HA GLN A 34 7.311 6.738 4.996 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.783 5.459 6.781 1.00 0.00 H new ATOM 0 HB3 GLN A 34 10.029 6.594 6.300 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.257 8.438 6.747 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.350 7.187 7.574 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.872 6.625 9.641 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.259 7.276 10.520 1.00 0.00 H new ATOM 503 N LEU A 35 10.218 7.189 3.537 1.00 0.00 N ATOM 504 CA LEU A 35 10.993 8.117 2.720 1.00 0.00 C ATOM 505 C LEU A 35 10.460 8.162 1.292 1.00 0.00 C ATOM 506 O LEU A 35 10.646 9.149 0.579 1.00 0.00 O ATOM 507 CB LEU A 35 12.468 7.711 2.713 1.00 0.00 C ATOM 508 CG LEU A 35 12.891 6.739 1.612 1.00 0.00 C ATOM 509 CD1 LEU A 35 13.137 7.483 0.308 1.00 0.00 C ATOM 510 CD2 LEU A 35 14.134 5.967 2.030 1.00 0.00 C ATOM 0 H LEU A 35 10.626 6.258 3.619 1.00 0.00 H new ATOM 0 HA LEU A 35 10.898 9.112 3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.072 8.614 2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.705 7.262 3.677 1.00 0.00 H new ATOM 0 HG LEU A 35 12.082 6.027 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 35 13.437 6.775 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.222 7.989 -0.000 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.928 8.219 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.420 5.280 1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.950 6.665 2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.923 5.402 2.938 1.00 0.00 H new ATOM 522 N LEU A 36 9.794 7.089 0.881 1.00 0.00 N ATOM 523 CA LEU A 36 9.231 7.006 -0.463 1.00 0.00 C ATOM 524 C LEU A 36 8.084 7.997 -0.634 1.00 0.00 C ATOM 525 O LEU A 36 7.728 8.364 -1.755 1.00 0.00 O ATOM 526 CB LEU A 36 8.738 5.585 -0.744 1.00 0.00 C ATOM 527 CG LEU A 36 9.761 4.630 -1.361 1.00 0.00 C ATOM 528 CD1 LEU A 36 9.296 3.189 -1.223 1.00 0.00 C ATOM 529 CD2 LEU A 36 10.000 4.978 -2.823 1.00 0.00 C ATOM 0 H LEU A 36 9.630 6.264 1.458 1.00 0.00 H new ATOM 0 HA LEU A 36 10.016 7.259 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.385 5.152 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.878 5.645 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 36 10.703 4.739 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.036 2.524 -1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.176 2.945 -0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.342 3.064 -1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.731 4.289 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.063 4.897 -3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.378 5.998 -2.897 1.00 0.00 H new ATOM 541 N LEU A 37 7.510 8.429 0.484 1.00 0.00 N ATOM 542 CA LEU A 37 6.405 9.381 0.458 1.00 0.00 C ATOM 543 C LEU A 37 6.906 10.790 0.164 1.00 0.00 C ATOM 544 O LEU A 37 6.615 11.355 -0.891 1.00 0.00 O ATOM 545 CB LEU A 37 5.658 9.361 1.793 1.00 0.00 C ATOM 546 CG LEU A 37 4.968 8.046 2.157 1.00 0.00 C ATOM 547 CD1 LEU A 37 4.566 8.042 3.623 1.00 0.00 C ATOM 548 CD2 LEU A 37 3.754 7.817 1.269 1.00 0.00 C ATOM 0 H LEU A 37 7.792 8.135 1.419 1.00 0.00 H new ATOM 0 HA LEU A 37 5.722 9.085 -0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.364 9.609 2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.906 10.150 1.778 1.00 0.00 H new ATOM 0 HG LEU A 37 5.673 7.231 1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.076 7.098 3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.454 8.159 4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.879 8.866 3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.276 6.877 1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.047 8.636 1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.069 7.774 0.226 1.00 0.00 H new ATOM 560 N GLU A 38 7.662 11.352 1.101 1.00 0.00 N ATOM 561 CA GLU A 38 8.206 12.696 0.941 1.00 0.00 C ATOM 562 C GLU A 38 8.990 12.813 -0.364 1.00 0.00 C ATOM 563 O GLU A 38 9.048 13.883 -0.971 1.00 0.00 O ATOM 564 CB GLU A 38 9.107 13.050 2.125 1.00 0.00 C ATOM 565 CG GLU A 38 10.402 12.257 2.163 1.00 0.00 C ATOM 566 CD GLU A 38 11.523 12.932 1.394 1.00 0.00 C ATOM 567 OE1 GLU A 38 11.452 14.163 1.201 1.00 0.00 O ATOM 568 OE2 GLU A 38 12.470 12.227 0.986 1.00 0.00 O ATOM 0 H GLU A 38 7.912 10.898 1.979 1.00 0.00 H new ATOM 0 HA GLU A 38 7.372 13.397 0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.343 14.113 2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.559 12.879 3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.709 12.120 3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.228 11.264 1.748 1.00 0.00 H new ATOM 575 N ARG A 39 9.591 11.707 -0.787 1.00 0.00 N ATOM 576 CA ARG A 39 10.373 11.685 -2.017 1.00 0.00 C ATOM 577 C ARG A 39 9.467 11.796 -3.239 1.00 0.00 C ATOM 578 O ARG A 39 9.806 12.461 -4.219 1.00 0.00 O ATOM 579 CB ARG A 39 11.200 10.401 -2.098 1.00 0.00 C ATOM 580 CG ARG A 39 12.551 10.503 -1.407 1.00 0.00 C ATOM 581 CD ARG A 39 13.570 9.565 -2.035 1.00 0.00 C ATOM 582 NE ARG A 39 14.832 9.557 -1.300 1.00 0.00 N ATOM 583 CZ ARG A 39 15.916 8.908 -1.709 1.00 0.00 C ATOM 584 NH1 ARG A 39 15.893 8.219 -2.841 1.00 0.00 N ATOM 585 NH2 ARG A 39 17.027 8.948 -0.985 1.00 0.00 N ATOM 0 H ARG A 39 9.552 10.814 -0.296 1.00 0.00 H new ATOM 0 HA ARG A 39 11.046 12.543 -2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.633 9.585 -1.651 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.356 10.144 -3.146 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.914 11.529 -1.466 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.439 10.265 -0.349 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.162 8.555 -2.066 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.753 9.867 -3.066 1.00 0.00 H new ATOM 0 HE ARG A 39 14.884 10.078 -0.425 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.041 8.186 -3.401 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.727 7.722 -3.152 1.00 0.00 H new ATOM 0 HH21 ARG A 39 17.049 9.478 -0.113 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.859 8.449 -1.300 1.00 0.00 H new ATOM 599 N TYR A 40 8.312 11.141 -3.176 1.00 0.00 N ATOM 600 CA TYR A 40 7.359 11.163 -4.278 1.00 0.00 C ATOM 601 C TYR A 40 5.954 11.487 -3.777 1.00 0.00 C ATOM 602 O TYR A 40 5.061 10.640 -3.764 1.00 0.00 O ATOM 603 CB TYR A 40 7.355 9.817 -5.005 1.00 0.00 C ATOM 604 CG TYR A 40 8.729 9.363 -5.446 1.00 0.00 C ATOM 605 CD1 TYR A 40 9.581 8.710 -4.564 1.00 0.00 C ATOM 606 CD2 TYR A 40 9.173 9.588 -6.743 1.00 0.00 C ATOM 607 CE1 TYR A 40 10.837 8.295 -4.962 1.00 0.00 C ATOM 608 CE2 TYR A 40 10.427 9.175 -7.150 1.00 0.00 C ATOM 609 CZ TYR A 40 11.256 8.528 -6.255 1.00 0.00 C ATOM 610 OH TYR A 40 12.505 8.116 -6.657 1.00 0.00 O ATOM 0 H TYR A 40 8.014 10.588 -2.372 1.00 0.00 H new ATOM 0 HA TYR A 40 7.666 11.943 -4.974 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.925 9.060 -4.349 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.707 9.887 -5.879 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.256 8.524 -3.551 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.527 10.094 -7.445 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.488 7.790 -4.264 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.757 9.357 -8.162 1.00 0.00 H new ATOM 0 HH TYR A 40 12.642 8.357 -7.597 1.00 0.00 H new ATOM 620 N PRO A 41 5.754 12.744 -3.353 1.00 0.00 N ATOM 621 CA PRO A 41 4.461 13.211 -2.845 1.00 0.00 C ATOM 622 C PRO A 41 3.407 13.308 -3.942 1.00 0.00 C ATOM 623 O PRO A 41 2.235 13.008 -3.717 1.00 0.00 O ATOM 624 CB PRO A 41 4.781 14.600 -2.286 1.00 0.00 C ATOM 625 CG PRO A 41 5.979 15.049 -3.049 1.00 0.00 C ATOM 626 CD PRO A 41 6.774 13.807 -3.340 1.00 0.00 C ATOM 0 HA PRO A 41 4.041 12.526 -2.109 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.944 15.285 -2.424 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.986 14.559 -1.216 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.688 15.551 -3.972 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.566 15.761 -2.470 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.293 13.877 -4.296 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.532 13.627 -2.578 1.00 0.00 H new ATOM 634 N GLU A 42 3.832 13.728 -5.129 1.00 0.00 N ATOM 635 CA GLU A 42 2.923 13.865 -6.262 1.00 0.00 C ATOM 636 C GLU A 42 2.373 12.505 -6.685 1.00 0.00 C ATOM 637 O GLU A 42 1.277 12.412 -7.238 1.00 0.00 O ATOM 638 CB GLU A 42 3.637 14.528 -7.441 1.00 0.00 C ATOM 639 CG GLU A 42 4.775 13.697 -8.009 1.00 0.00 C ATOM 640 CD GLU A 42 5.602 14.459 -9.025 1.00 0.00 C ATOM 641 OE1 GLU A 42 5.208 14.489 -10.210 1.00 0.00 O ATOM 642 OE2 GLU A 42 6.645 15.026 -8.637 1.00 0.00 O ATOM 0 H GLU A 42 4.800 13.979 -5.332 1.00 0.00 H new ATOM 0 HA GLU A 42 2.089 14.495 -5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.912 14.723 -8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.028 15.494 -7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.420 13.367 -7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.367 12.801 -8.476 1.00 0.00 H new ATOM 649 N CYS A 43 3.142 11.455 -6.420 1.00 0.00 N ATOM 650 CA CYS A 43 2.734 10.101 -6.775 1.00 0.00 C ATOM 651 C CYS A 43 1.858 9.493 -5.683 1.00 0.00 C ATOM 652 O CYS A 43 1.958 8.305 -5.383 1.00 0.00 O ATOM 653 CB CYS A 43 3.963 9.219 -7.008 1.00 0.00 C ATOM 654 SG CYS A 43 4.706 9.407 -8.646 1.00 0.00 S ATOM 0 H CYS A 43 4.051 11.515 -5.961 1.00 0.00 H new ATOM 0 HA CYS A 43 2.153 10.153 -7.696 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.713 9.452 -6.252 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.681 8.176 -6.866 1.00 0.00 H new ATOM 0 HG CYS A 43 5.738 8.623 -8.747 1.00 0.00 H new ATOM 660 N GLY A 44 1.000 10.320 -5.093 1.00 0.00 N ATOM 661 CA GLY A 44 0.120 9.847 -4.040 1.00 0.00 C ATOM 662 C GLY A 44 0.843 9.656 -2.722 1.00 0.00 C ATOM 663 O GLY A 44 2.046 9.894 -2.626 1.00 0.00 O ATOM 0 H GLY A 44 0.899 11.308 -5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.694 10.559 -3.904 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.330 8.902 -4.344 1.00 0.00 H new ATOM 667 N ASN A 45 0.108 9.224 -1.702 1.00 0.00 N ATOM 668 CA ASN A 45 0.687 9.003 -0.383 1.00 0.00 C ATOM 669 C ASN A 45 0.253 7.653 0.182 1.00 0.00 C ATOM 670 O ASN A 45 1.085 6.843 0.592 1.00 0.00 O ATOM 671 CB ASN A 45 0.274 10.124 0.573 1.00 0.00 C ATOM 672 CG ASN A 45 0.185 9.655 2.012 1.00 0.00 C ATOM 673 OD1 ASN A 45 1.198 9.536 2.701 1.00 0.00 O ATOM 674 ND2 ASN A 45 -1.032 9.385 2.471 1.00 0.00 N ATOM 0 H ASN A 45 -0.890 9.020 -1.764 1.00 0.00 H new ATOM 0 HA ASN A 45 1.772 9.003 -0.485 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.993 10.940 0.504 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.692 10.524 0.264 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.155 9.064 3.431 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.843 9.498 1.863 1.00 0.00 H new ATOM 681 N LEU A 46 -1.054 7.418 0.200 1.00 0.00 N ATOM 682 CA LEU A 46 -1.600 6.167 0.714 1.00 0.00 C ATOM 683 C LEU A 46 -0.892 4.968 0.091 1.00 0.00 C ATOM 684 O LEU A 46 -1.317 4.452 -0.945 1.00 0.00 O ATOM 685 CB LEU A 46 -3.102 6.090 0.434 1.00 0.00 C ATOM 686 CG LEU A 46 -3.751 4.719 0.628 1.00 0.00 C ATOM 687 CD1 LEU A 46 -4.049 4.472 2.099 1.00 0.00 C ATOM 688 CD2 LEU A 46 -5.022 4.609 -0.201 1.00 0.00 C ATOM 0 H LEU A 46 -1.756 8.078 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.436 6.143 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.609 6.805 1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.277 6.411 -0.593 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.051 3.956 0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.511 3.492 2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.121 4.507 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.730 5.240 2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.471 3.627 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.726 5.381 0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.781 4.740 -1.256 1.00 0.00 H new ATOM 700 N LEU A 47 0.187 4.527 0.728 1.00 0.00 N ATOM 701 CA LEU A 47 0.952 3.386 0.237 1.00 0.00 C ATOM 702 C LEU A 47 0.863 2.213 1.207 1.00 0.00 C ATOM 703 O LEU A 47 0.844 2.399 2.424 1.00 0.00 O ATOM 704 CB LEU A 47 2.416 3.780 0.029 1.00 0.00 C ATOM 705 CG LEU A 47 3.340 3.586 1.232 1.00 0.00 C ATOM 706 CD1 LEU A 47 3.762 2.130 1.351 1.00 0.00 C ATOM 707 CD2 LEU A 47 4.559 4.489 1.119 1.00 0.00 C ATOM 0 H LEU A 47 0.552 4.942 1.585 1.00 0.00 H new ATOM 0 HA LEU A 47 0.525 3.078 -0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.812 3.201 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.451 4.829 -0.265 1.00 0.00 H new ATOM 0 HG LEU A 47 2.793 3.859 2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.419 2.011 2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.879 1.504 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.291 1.829 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.205 4.338 1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.108 4.247 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.238 5.530 1.084 1.00 0.00 H new ATOM 719 N LEU A 48 0.807 1.004 0.660 1.00 0.00 N ATOM 720 CA LEU A 48 0.722 -0.203 1.477 1.00 0.00 C ATOM 721 C LEU A 48 2.029 -0.987 1.429 1.00 0.00 C ATOM 722 O LEU A 48 2.461 -1.428 0.363 1.00 0.00 O ATOM 723 CB LEU A 48 -0.433 -1.085 1.000 1.00 0.00 C ATOM 724 CG LEU A 48 -1.839 -0.604 1.360 1.00 0.00 C ATOM 725 CD1 LEU A 48 -2.326 0.426 0.353 1.00 0.00 C ATOM 726 CD2 LEU A 48 -2.804 -1.778 1.432 1.00 0.00 C ATOM 0 H LEU A 48 0.819 0.833 -0.345 1.00 0.00 H new ATOM 0 HA LEU A 48 0.539 0.099 2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.369 -1.178 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.296 -2.084 1.414 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.799 -0.132 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.328 0.756 0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.650 1.281 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.349 -0.020 -0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.799 -1.416 1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.839 -2.280 0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.466 -2.481 2.193 1.00 0.00 H new ATOM 738 N ARG A 49 2.654 -1.158 2.590 1.00 0.00 N ATOM 739 CA ARG A 49 3.911 -1.890 2.680 1.00 0.00 C ATOM 740 C ARG A 49 3.749 -3.146 3.531 1.00 0.00 C ATOM 741 O ARG A 49 3.120 -3.132 4.589 1.00 0.00 O ATOM 742 CB ARG A 49 5.005 -0.997 3.271 1.00 0.00 C ATOM 743 CG ARG A 49 4.559 -0.222 4.500 1.00 0.00 C ATOM 744 CD ARG A 49 5.742 0.394 5.229 1.00 0.00 C ATOM 745 NE ARG A 49 5.463 0.606 6.646 1.00 0.00 N ATOM 746 CZ ARG A 49 5.502 -0.361 7.555 1.00 0.00 C ATOM 747 NH1 ARG A 49 5.808 -1.600 7.197 1.00 0.00 N ATOM 748 NH2 ARG A 49 5.235 -0.090 8.827 1.00 0.00 N ATOM 0 H ARG A 49 2.310 -0.799 3.481 1.00 0.00 H new ATOM 0 HA ARG A 49 4.201 -2.190 1.673 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.864 -1.614 3.533 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.339 -0.293 2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.864 0.563 4.204 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.020 -0.887 5.175 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.611 -0.256 5.124 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.998 1.346 4.764 1.00 0.00 H new ATOM 0 HE ARG A 49 5.225 1.549 6.955 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.014 -1.813 6.221 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.837 -2.341 7.898 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.999 0.862 9.107 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.265 -0.834 9.524 1.00 0.00 H new ATOM 762 N PRO A 50 4.330 -4.259 3.060 1.00 0.00 N ATOM 763 CA PRO A 50 4.264 -5.544 3.762 1.00 0.00 C ATOM 764 C PRO A 50 5.082 -5.544 5.048 1.00 0.00 C ATOM 765 O PRO A 50 6.276 -5.246 5.036 1.00 0.00 O ATOM 766 CB PRO A 50 4.855 -6.531 2.753 1.00 0.00 C ATOM 767 CG PRO A 50 5.744 -5.704 1.890 1.00 0.00 C ATOM 768 CD PRO A 50 5.096 -4.350 1.806 1.00 0.00 C ATOM 0 HA PRO A 50 3.248 -5.787 4.071 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.413 -7.322 3.254 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.073 -7.014 2.167 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.745 -5.632 2.316 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.850 -6.148 0.900 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.837 -3.554 1.729 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.449 -4.268 0.933 1.00 0.00 H new ATOM 776 N SER A 51 4.432 -5.881 6.158 1.00 0.00 N ATOM 777 CA SER A 51 5.100 -5.917 7.454 1.00 0.00 C ATOM 778 C SER A 51 6.075 -7.088 7.531 1.00 0.00 C ATOM 779 O SER A 51 7.286 -6.896 7.630 1.00 0.00 O ATOM 780 CB SER A 51 4.069 -6.022 8.580 1.00 0.00 C ATOM 781 OG SER A 51 3.241 -4.872 8.622 1.00 0.00 O ATOM 0 H SER A 51 3.444 -6.133 6.186 1.00 0.00 H new ATOM 0 HA SER A 51 5.662 -4.991 7.571 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.455 -6.911 8.434 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.580 -6.141 9.535 1.00 0.00 H new ATOM 0 HG SER A 51 2.590 -4.964 9.348 1.00 0.00 H new ATOM 787 N GLY A 52 5.536 -8.302 7.485 1.00 0.00 N ATOM 788 CA GLY A 52 6.371 -9.487 7.552 1.00 0.00 C ATOM 789 C GLY A 52 5.624 -10.746 7.161 1.00 0.00 C ATOM 790 O GLY A 52 4.783 -10.723 6.261 1.00 0.00 O ATOM 0 H GLY A 52 4.536 -8.486 7.403 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.231 -9.359 6.894 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.758 -9.598 8.565 1.00 0.00 H new ATOM 794 N ASP A 53 5.931 -11.849 7.835 1.00 0.00 N ATOM 795 CA ASP A 53 5.283 -13.124 7.553 1.00 0.00 C ATOM 796 C ASP A 53 3.822 -12.916 7.161 1.00 0.00 C ATOM 797 O ASP A 53 3.318 -13.561 6.242 1.00 0.00 O ATOM 798 CB ASP A 53 5.370 -14.046 8.770 1.00 0.00 C ATOM 799 CG ASP A 53 4.607 -13.504 9.962 1.00 0.00 C ATOM 800 OD1 ASP A 53 5.087 -12.532 10.581 1.00 0.00 O ATOM 801 OD2 ASP A 53 3.530 -14.055 10.277 1.00 0.00 O ATOM 0 H ASP A 53 6.625 -11.885 8.581 1.00 0.00 H new ATOM 0 HA ASP A 53 5.803 -13.590 6.716 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.977 -15.028 8.507 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.416 -14.184 9.044 1.00 0.00 H new ATOM 806 N GLY A 54 3.149 -12.012 7.866 1.00 0.00 N ATOM 807 CA GLY A 54 1.754 -11.736 7.578 1.00 0.00 C ATOM 808 C GLY A 54 1.502 -11.501 6.102 1.00 0.00 C ATOM 809 O GLY A 54 1.733 -10.404 5.593 1.00 0.00 O ATOM 0 H GLY A 54 3.545 -11.466 8.631 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.144 -12.572 7.919 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.437 -10.859 8.142 1.00 0.00 H new ATOM 813 N ALA A 55 1.029 -12.533 5.412 1.00 0.00 N ATOM 814 CA ALA A 55 0.746 -12.433 3.985 1.00 0.00 C ATOM 815 C ALA A 55 -0.714 -12.067 3.740 1.00 0.00 C ATOM 816 O ALA A 55 -1.049 -11.460 2.722 1.00 0.00 O ATOM 817 CB ALA A 55 1.088 -13.741 3.286 1.00 0.00 C ATOM 0 H ALA A 55 0.834 -13.448 5.818 1.00 0.00 H new ATOM 0 HA ALA A 55 1.368 -11.639 3.571 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.872 -13.652 2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.147 -13.961 3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.491 -14.548 3.711 1.00 0.00 H new ATOM 823 N ASP A 56 -1.578 -12.439 4.677 1.00 0.00 N ATOM 824 CA ASP A 56 -3.003 -12.148 4.563 1.00 0.00 C ATOM 825 C ASP A 56 -3.355 -10.858 5.296 1.00 0.00 C ATOM 826 O ASP A 56 -4.472 -10.696 5.786 1.00 0.00 O ATOM 827 CB ASP A 56 -3.828 -13.310 5.122 1.00 0.00 C ATOM 828 CG ASP A 56 -3.749 -14.547 4.250 1.00 0.00 C ATOM 829 OD1 ASP A 56 -2.762 -14.682 3.498 1.00 0.00 O ATOM 830 OD2 ASP A 56 -4.674 -15.383 4.321 1.00 0.00 O ATOM 0 H ASP A 56 -1.317 -12.943 5.525 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.240 -12.019 3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.476 -13.553 6.125 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.869 -13.001 5.216 1.00 0.00 H new ATOM 835 N GLY A 57 -2.393 -9.944 5.369 1.00 0.00 N ATOM 836 CA GLY A 57 -2.622 -8.680 6.046 1.00 0.00 C ATOM 837 C GLY A 57 -1.385 -7.804 6.071 1.00 0.00 C ATOM 838 O GLY A 57 -0.402 -8.124 6.740 1.00 0.00 O ATOM 0 H GLY A 57 -1.460 -10.055 4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.432 -8.146 5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.948 -8.873 7.068 1.00 0.00 H new ATOM 842 N VAL A 58 -1.431 -6.695 5.339 1.00 0.00 N ATOM 843 CA VAL A 58 -0.305 -5.772 5.279 1.00 0.00 C ATOM 844 C VAL A 58 -0.601 -4.495 6.059 1.00 0.00 C ATOM 845 O VAL A 58 -1.696 -4.321 6.592 1.00 0.00 O ATOM 846 CB VAL A 58 0.041 -5.402 3.824 1.00 0.00 C ATOM 847 CG1 VAL A 58 0.436 -6.644 3.038 1.00 0.00 C ATOM 848 CG2 VAL A 58 -1.129 -4.692 3.161 1.00 0.00 C ATOM 0 H VAL A 58 -2.236 -6.415 4.779 1.00 0.00 H new ATOM 0 HA VAL A 58 0.547 -6.282 5.729 1.00 0.00 H new ATOM 0 HB VAL A 58 0.891 -4.720 3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.677 -6.364 2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.307 -7.107 3.502 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.393 -7.352 3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.866 -4.438 2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.000 -5.347 3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.361 -3.780 3.712 1.00 0.00 H new ATOM 858 N SER A 59 0.384 -3.604 6.119 1.00 0.00 N ATOM 859 CA SER A 59 0.232 -2.344 6.837 1.00 0.00 C ATOM 860 C SER A 59 0.035 -1.185 5.864 1.00 0.00 C ATOM 861 O SER A 59 0.630 -1.156 4.787 1.00 0.00 O ATOM 862 CB SER A 59 1.454 -2.083 7.718 1.00 0.00 C ATOM 863 OG SER A 59 1.378 -0.808 8.333 1.00 0.00 O ATOM 0 H SER A 59 1.295 -3.732 5.679 1.00 0.00 H new ATOM 0 HA SER A 59 -0.653 -2.419 7.469 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.526 -2.856 8.484 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.360 -2.146 7.116 1.00 0.00 H new ATOM 0 HG SER A 59 0.459 -0.643 8.631 1.00 0.00 H new ATOM 869 N VAL A 60 -0.805 -0.230 6.253 1.00 0.00 N ATOM 870 CA VAL A 60 -1.081 0.931 5.416 1.00 0.00 C ATOM 871 C VAL A 60 -0.391 2.177 5.961 1.00 0.00 C ATOM 872 O VAL A 60 -0.708 2.648 7.054 1.00 0.00 O ATOM 873 CB VAL A 60 -2.594 1.201 5.311 1.00 0.00 C ATOM 874 CG1 VAL A 60 -2.866 2.349 4.351 1.00 0.00 C ATOM 875 CG2 VAL A 60 -3.329 -0.057 4.874 1.00 0.00 C ATOM 0 H VAL A 60 -1.305 -0.238 7.142 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.690 0.706 4.424 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.965 1.488 6.295 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.940 2.525 4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.370 3.250 4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.483 2.095 3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.397 0.151 4.805 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.957 -0.376 3.900 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.160 -0.849 5.604 1.00 0.00 H new ATOM 885 N THR A 61 0.556 2.707 5.193 1.00 0.00 N ATOM 886 CA THR A 61 1.293 3.896 5.598 1.00 0.00 C ATOM 887 C THR A 61 0.699 5.152 4.968 1.00 0.00 C ATOM 888 O THR A 61 0.752 5.334 3.752 1.00 0.00 O ATOM 889 CB THR A 61 2.780 3.796 5.211 1.00 0.00 C ATOM 890 OG1 THR A 61 3.334 2.572 5.707 1.00 0.00 O ATOM 891 CG2 THR A 61 3.565 4.975 5.766 1.00 0.00 C ATOM 0 H THR A 61 0.830 2.330 4.286 1.00 0.00 H new ATOM 0 HA THR A 61 1.212 3.963 6.683 1.00 0.00 H new ATOM 0 HB THR A 61 2.851 3.813 4.123 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.515 2.660 6.666 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.613 4.882 5.479 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.160 5.904 5.364 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.486 4.985 6.853 1.00 0.00 H new ATOM 899 N THR A 62 0.132 6.017 5.804 1.00 0.00 N ATOM 900 CA THR A 62 -0.472 7.255 5.330 1.00 0.00 C ATOM 901 C THR A 62 0.108 8.463 6.055 1.00 0.00 C ATOM 902 O THR A 62 0.202 8.476 7.283 1.00 0.00 O ATOM 903 CB THR A 62 -2.001 7.242 5.519 1.00 0.00 C ATOM 904 OG1 THR A 62 -2.322 7.026 6.898 1.00 0.00 O ATOM 905 CG2 THR A 62 -2.643 6.157 4.668 1.00 0.00 C ATOM 0 H THR A 62 0.079 5.882 6.814 1.00 0.00 H new ATOM 0 HA THR A 62 -0.245 7.330 4.267 1.00 0.00 H new ATOM 0 HB THR A 62 -2.392 8.209 5.202 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.572 7.315 7.458 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.723 6.168 4.819 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.421 6.340 3.617 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.246 5.184 4.958 1.00 0.00 H new ATOM 913 N ARG A 63 0.495 9.478 5.288 1.00 0.00 N ATOM 914 CA ARG A 63 1.068 10.692 5.858 1.00 0.00 C ATOM 915 C ARG A 63 0.110 11.869 5.703 1.00 0.00 C ATOM 916 O ARG A 63 0.123 12.561 4.685 1.00 0.00 O ATOM 917 CB ARG A 63 2.404 11.015 5.188 1.00 0.00 C ATOM 918 CG ARG A 63 3.075 12.263 5.737 1.00 0.00 C ATOM 919 CD ARG A 63 4.586 12.196 5.585 1.00 0.00 C ATOM 920 NE ARG A 63 5.196 13.524 5.601 1.00 0.00 N ATOM 921 CZ ARG A 63 6.509 13.729 5.560 1.00 0.00 C ATOM 922 NH1 ARG A 63 7.342 12.700 5.502 1.00 0.00 N ATOM 923 NH2 ARG A 63 6.988 14.966 5.578 1.00 0.00 N ATOM 0 H ARG A 63 0.422 9.483 4.271 1.00 0.00 H new ATOM 0 HA ARG A 63 1.236 10.520 6.921 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.077 10.167 5.312 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.243 11.141 4.117 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.694 13.141 5.216 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.819 12.382 6.790 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.005 11.594 6.391 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.835 11.694 4.650 1.00 0.00 H new ATOM 0 HE ARG A 63 4.582 14.337 5.646 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.976 11.748 5.489 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.349 12.860 5.471 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.349 15.760 5.623 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.995 15.123 5.547 1.00 0.00 H new ATOM 937 N GLN A 64 -0.720 12.089 6.718 1.00 0.00 N ATOM 938 CA GLN A 64 -1.684 13.181 6.692 1.00 0.00 C ATOM 939 C GLN A 64 -1.133 14.411 7.406 1.00 0.00 C ATOM 940 O GLN A 64 0.019 14.426 7.840 1.00 0.00 O ATOM 941 CB GLN A 64 -2.998 12.745 7.344 1.00 0.00 C ATOM 942 CG GLN A 64 -3.934 12.015 6.394 1.00 0.00 C ATOM 943 CD GLN A 64 -5.348 11.917 6.931 1.00 0.00 C ATOM 944 OE1 GLN A 64 -6.210 12.732 6.597 1.00 0.00 O ATOM 945 NE2 GLN A 64 -5.597 10.915 7.767 1.00 0.00 N ATOM 0 H GLN A 64 -0.744 11.525 7.568 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.872 13.441 5.650 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.776 12.097 8.192 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.507 13.624 7.739 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.948 12.533 5.435 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.549 11.012 6.209 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.854 10.263 8.017 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.531 10.798 8.159 1.00 0.00 H new ATOM 954 N MET A 65 -1.964 15.442 7.526 1.00 0.00 N ATOM 955 CA MET A 65 -1.559 16.677 8.188 1.00 0.00 C ATOM 956 C MET A 65 -2.543 17.049 9.293 1.00 0.00 C ATOM 957 O MET A 65 -3.665 17.476 9.020 1.00 0.00 O ATOM 958 CB MET A 65 -1.458 17.817 7.173 1.00 0.00 C ATOM 959 CG MET A 65 -0.099 17.913 6.499 1.00 0.00 C ATOM 960 SD MET A 65 0.218 19.547 5.804 1.00 0.00 S ATOM 961 CE MET A 65 0.656 20.462 7.279 1.00 0.00 C ATOM 0 H MET A 65 -2.921 15.447 7.174 1.00 0.00 H new ATOM 0 HA MET A 65 -0.579 16.514 8.638 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.224 17.682 6.410 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.672 18.760 7.676 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.679 17.673 7.224 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.037 17.167 5.707 1.00 0.00 H new ATOM 0 HE1 MET A 65 0.214 21.458 7.234 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.280 19.938 8.158 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.741 20.549 7.345 1.00 0.00 H new ATOM 971 N HIS A 66 -2.114 16.884 10.541 1.00 0.00 N ATOM 972 CA HIS A 66 -2.959 17.204 11.687 1.00 0.00 C ATOM 973 C HIS A 66 -2.283 18.231 12.590 1.00 0.00 C ATOM 974 O HIS A 66 -1.135 18.053 12.997 1.00 0.00 O ATOM 975 CB HIS A 66 -3.275 15.937 12.483 1.00 0.00 C ATOM 976 CG HIS A 66 -4.403 16.106 13.452 1.00 0.00 C ATOM 977 ND1 HIS A 66 -5.725 16.179 13.065 1.00 0.00 N ATOM 978 CD2 HIS A 66 -4.402 16.214 14.802 1.00 0.00 C ATOM 979 CE1 HIS A 66 -6.487 16.326 14.133 1.00 0.00 C ATOM 980 NE2 HIS A 66 -5.709 16.350 15.200 1.00 0.00 N ATOM 0 H HIS A 66 -1.188 16.531 10.784 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.890 17.631 11.314 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.520 15.133 11.789 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.383 15.627 13.027 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -3.535 16.196 15.446 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -7.564 16.412 14.134 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.027 16.453 16.164 1.00 0.00 H new ATOM 989 N ASN A 67 -3.001 19.304 12.899 1.00 0.00 N ATOM 990 CA ASN A 67 -2.469 20.360 13.753 1.00 0.00 C ATOM 991 C ASN A 67 -1.325 21.096 13.062 1.00 0.00 C ATOM 992 O ASN A 67 -0.437 21.640 13.717 1.00 0.00 O ATOM 993 CB ASN A 67 -1.986 19.775 15.082 1.00 0.00 C ATOM 994 CG ASN A 67 -1.609 20.849 16.084 1.00 0.00 C ATOM 995 OD1 ASN A 67 -2.204 21.927 16.108 1.00 0.00 O ATOM 996 ND2 ASN A 67 -0.616 20.559 16.916 1.00 0.00 N ATOM 0 H ASN A 67 -3.953 19.466 12.571 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.270 21.073 13.947 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.769 19.146 15.505 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.124 19.132 14.901 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.317 21.243 17.612 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.152 19.653 16.860 1.00 0.00 H new ATOM 1003 N GLY A 68 -1.355 21.107 11.733 1.00 0.00 N ATOM 1004 CA GLY A 68 -0.315 21.779 10.974 1.00 0.00 C ATOM 1005 C GLY A 68 1.058 21.187 11.222 1.00 0.00 C ATOM 1006 O GLY A 68 2.049 21.913 11.317 1.00 0.00 O ATOM 0 H GLY A 68 -2.080 20.663 11.168 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.548 21.717 9.911 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.304 22.837 11.236 1.00 0.00 H new ATOM 1010 N THR A 69 1.120 19.863 11.331 1.00 0.00 N ATOM 1011 CA THR A 69 2.381 19.173 11.573 1.00 0.00 C ATOM 1012 C THR A 69 2.462 17.880 10.773 1.00 0.00 C ATOM 1013 O THR A 69 1.443 17.341 10.338 1.00 0.00 O ATOM 1014 CB THR A 69 2.568 18.853 13.069 1.00 0.00 C ATOM 1015 OG1 THR A 69 3.962 18.750 13.377 1.00 0.00 O ATOM 1016 CG2 THR A 69 1.865 17.553 13.434 1.00 0.00 C ATOM 0 H THR A 69 0.311 19.247 11.255 1.00 0.00 H new ATOM 0 HA THR A 69 3.177 19.845 11.251 1.00 0.00 H new ATOM 0 HB THR A 69 2.127 19.663 13.650 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.073 18.548 14.330 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.010 17.346 14.494 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.799 17.644 13.224 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.282 16.736 12.845 1.00 0.00 H new ATOM 1024 N HIS A 70 3.680 17.383 10.582 1.00 0.00 N ATOM 1025 CA HIS A 70 3.895 16.149 9.835 1.00 0.00 C ATOM 1026 C HIS A 70 3.692 14.930 10.728 1.00 0.00 C ATOM 1027 O HIS A 70 4.429 14.725 11.693 1.00 0.00 O ATOM 1028 CB HIS A 70 5.302 16.128 9.235 1.00 0.00 C ATOM 1029 CG HIS A 70 6.345 15.604 10.173 1.00 0.00 C ATOM 1030 ND1 HIS A 70 6.708 14.275 10.227 1.00 0.00 N ATOM 1031 CD2 HIS A 70 7.104 16.238 11.096 1.00 0.00 C ATOM 1032 CE1 HIS A 70 7.645 14.114 11.144 1.00 0.00 C ATOM 1033 NE2 HIS A 70 7.904 15.290 11.686 1.00 0.00 N ATOM 0 H HIS A 70 4.533 17.816 10.934 1.00 0.00 H new ATOM 0 HA HIS A 70 3.164 16.111 9.028 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.295 15.515 8.334 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.574 17.139 8.931 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.085 17.293 11.326 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.119 13.179 11.406 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.587 15.466 12.423 1.00 0.00 H new ATOM 1042 N VAL A 71 2.687 14.123 10.402 1.00 0.00 N ATOM 1043 CA VAL A 71 2.388 12.923 11.175 1.00 0.00 C ATOM 1044 C VAL A 71 2.431 11.679 10.296 1.00 0.00 C ATOM 1045 O VAL A 71 2.108 11.730 9.110 1.00 0.00 O ATOM 1046 CB VAL A 71 1.004 13.018 11.845 1.00 0.00 C ATOM 1047 CG1 VAL A 71 1.040 13.996 13.009 1.00 0.00 C ATOM 1048 CG2 VAL A 71 -0.052 13.425 10.829 1.00 0.00 C ATOM 0 H VAL A 71 2.066 14.279 9.608 1.00 0.00 H new ATOM 0 HA VAL A 71 3.153 12.845 11.948 1.00 0.00 H new ATOM 0 HB VAL A 71 0.740 12.035 12.236 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.054 14.050 13.470 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.767 13.657 13.747 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.325 14.983 12.646 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.024 13.487 11.319 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.205 14.397 10.407 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.095 12.683 10.032 1.00 0.00 H new ATOM 1058 N VAL A 72 2.832 10.557 10.888 1.00 0.00 N ATOM 1059 CA VAL A 72 2.916 9.297 10.159 1.00 0.00 C ATOM 1060 C VAL A 72 2.287 8.159 10.956 1.00 0.00 C ATOM 1061 O VAL A 72 2.812 7.747 11.990 1.00 0.00 O ATOM 1062 CB VAL A 72 4.377 8.933 9.833 1.00 0.00 C ATOM 1063 CG1 VAL A 72 4.442 7.627 9.058 1.00 0.00 C ATOM 1064 CG2 VAL A 72 5.044 10.057 9.054 1.00 0.00 C ATOM 0 H VAL A 72 3.103 10.496 11.869 1.00 0.00 H new ATOM 0 HA VAL A 72 2.367 9.433 9.227 1.00 0.00 H new ATOM 0 HB VAL A 72 4.917 8.799 10.770 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.482 7.386 8.837 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.004 6.827 9.655 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.887 7.729 8.125 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.075 9.784 8.832 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.504 10.224 8.122 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.031 10.970 9.649 1.00 0.00 H new ATOM 1074 N ARG A 73 1.159 7.655 10.467 1.00 0.00 N ATOM 1075 CA ARG A 73 0.457 6.564 11.133 1.00 0.00 C ATOM 1076 C ARG A 73 0.373 5.339 10.228 1.00 0.00 C ATOM 1077 O ARG A 73 0.050 5.448 9.046 1.00 0.00 O ATOM 1078 CB ARG A 73 -0.950 7.009 11.540 1.00 0.00 C ATOM 1079 CG ARG A 73 -1.480 6.295 12.773 1.00 0.00 C ATOM 1080 CD ARG A 73 -2.185 4.998 12.405 1.00 0.00 C ATOM 1081 NE ARG A 73 -3.166 4.604 13.413 1.00 0.00 N ATOM 1082 CZ ARG A 73 -2.860 3.922 14.510 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -1.605 3.560 14.740 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -3.808 3.600 15.380 1.00 0.00 N ATOM 0 H ARG A 73 0.711 7.985 9.612 1.00 0.00 H new ATOM 0 HA ARG A 73 1.019 6.295 12.027 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.943 8.083 11.727 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.632 6.835 10.708 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.656 6.082 13.454 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.172 6.949 13.304 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.682 5.116 11.442 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.447 4.205 12.288 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.140 4.868 13.266 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.873 3.806 14.073 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.372 3.036 15.583 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.774 3.876 15.207 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.571 3.076 16.222 1.00 0.00 H new ATOM 1098 N HIS A 74 0.668 4.172 10.793 1.00 0.00 N ATOM 1099 CA HIS A 74 0.626 2.924 10.038 1.00 0.00 C ATOM 1100 C HIS A 74 -0.475 2.008 10.563 1.00 0.00 C ATOM 1101 O HIS A 74 -0.433 1.568 11.712 1.00 0.00 O ATOM 1102 CB HIS A 74 1.978 2.214 10.112 1.00 0.00 C ATOM 1103 CG HIS A 74 3.149 3.143 10.030 1.00 0.00 C ATOM 1104 ND1 HIS A 74 3.635 3.638 8.838 1.00 0.00 N ATOM 1105 CD2 HIS A 74 3.932 3.669 11.001 1.00 0.00 C ATOM 1106 CE1 HIS A 74 4.666 4.426 9.079 1.00 0.00 C ATOM 1107 NE2 HIS A 74 4.868 4.462 10.384 1.00 0.00 N ATOM 0 H HIS A 74 0.939 4.065 11.771 1.00 0.00 H new ATOM 0 HA HIS A 74 0.407 3.164 8.997 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.034 1.654 11.045 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.043 1.489 9.301 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.838 3.497 12.063 1.00 0.00 H new ATOM 0 HE1 HIS A 74 5.246 4.952 8.335 1.00 0.00 H new ATOM 0 HE2 HIS A 74 5.600 4.992 10.856 1.00 0.00 H new ATOM 1116 N TYR A 75 -1.457 1.725 9.715 1.00 0.00 N ATOM 1117 CA TYR A 75 -2.570 0.864 10.095 1.00 0.00 C ATOM 1118 C TYR A 75 -2.206 -0.607 9.916 1.00 0.00 C ATOM 1119 O TYR A 75 -1.465 -0.969 9.002 1.00 0.00 O ATOM 1120 CB TYR A 75 -3.809 1.199 9.262 1.00 0.00 C ATOM 1121 CG TYR A 75 -4.379 2.570 9.550 1.00 0.00 C ATOM 1122 CD1 TYR A 75 -3.792 3.713 9.022 1.00 0.00 C ATOM 1123 CD2 TYR A 75 -5.505 2.722 10.349 1.00 0.00 C ATOM 1124 CE1 TYR A 75 -4.309 4.967 9.282 1.00 0.00 C ATOM 1125 CE2 TYR A 75 -6.030 3.972 10.614 1.00 0.00 C ATOM 1126 CZ TYR A 75 -5.428 5.091 10.078 1.00 0.00 C ATOM 1127 OH TYR A 75 -5.947 6.339 10.339 1.00 0.00 O ATOM 0 H TYR A 75 -1.505 2.079 8.760 1.00 0.00 H new ATOM 0 HA TYR A 75 -2.790 1.040 11.148 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -3.554 1.136 8.204 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -4.577 0.449 9.450 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.916 3.619 8.397 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -5.978 1.848 10.770 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.840 5.845 8.864 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.906 4.072 11.237 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.735 6.252 10.914 1.00 0.00 H new ATOM 1137 N LYS A 76 -2.735 -1.451 10.796 1.00 0.00 N ATOM 1138 CA LYS A 76 -2.469 -2.883 10.737 1.00 0.00 C ATOM 1139 C LYS A 76 -3.732 -3.656 10.373 1.00 0.00 C ATOM 1140 O LYS A 76 -4.778 -3.487 10.999 1.00 0.00 O ATOM 1141 CB LYS A 76 -1.925 -3.378 12.080 1.00 0.00 C ATOM 1142 CG LYS A 76 -1.729 -4.882 12.139 1.00 0.00 C ATOM 1143 CD LYS A 76 -0.383 -5.291 11.563 1.00 0.00 C ATOM 1144 CE LYS A 76 0.015 -6.688 12.015 1.00 0.00 C ATOM 1145 NZ LYS A 76 1.081 -7.268 11.151 1.00 0.00 N ATOM 0 H LYS A 76 -3.350 -1.168 11.558 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.722 -3.057 9.963 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.972 -2.888 12.279 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.610 -3.078 12.873 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.801 -5.219 13.173 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.528 -5.376 11.586 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.427 -5.258 10.474 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.379 -4.576 11.873 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.364 -6.650 13.047 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.860 -7.338 11.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.324 -8.220 11.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.739 -7.328 10.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.925 -6.661 11.187 1.00 0.00 H new ATOM 1159 N VAL A 77 -3.627 -4.506 9.356 1.00 0.00 N ATOM 1160 CA VAL A 77 -4.761 -5.307 8.909 1.00 0.00 C ATOM 1161 C VAL A 77 -4.755 -6.683 9.567 1.00 0.00 C ATOM 1162 O VAL A 77 -3.938 -7.540 9.231 1.00 0.00 O ATOM 1163 CB VAL A 77 -4.756 -5.482 7.379 1.00 0.00 C ATOM 1164 CG1 VAL A 77 -5.921 -6.356 6.938 1.00 0.00 C ATOM 1165 CG2 VAL A 77 -4.804 -4.128 6.688 1.00 0.00 C ATOM 0 H VAL A 77 -2.769 -4.658 8.826 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.663 -4.771 9.203 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.830 -5.979 7.090 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.901 -6.469 5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.838 -7.337 7.406 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.860 -5.890 7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.800 -4.271 5.607 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.713 -3.602 6.981 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.934 -3.540 6.980 1.00 0.00 H new ATOM 1175 N LYS A 78 -5.672 -6.888 10.506 1.00 0.00 N ATOM 1176 CA LYS A 78 -5.775 -8.160 11.211 1.00 0.00 C ATOM 1177 C LYS A 78 -6.117 -9.291 10.246 1.00 0.00 C ATOM 1178 O LYS A 78 -6.606 -9.051 9.143 1.00 0.00 O ATOM 1179 CB LYS A 78 -6.838 -8.073 12.309 1.00 0.00 C ATOM 1180 CG LYS A 78 -6.996 -9.356 13.104 1.00 0.00 C ATOM 1181 CD LYS A 78 -7.748 -9.119 14.404 1.00 0.00 C ATOM 1182 CE LYS A 78 -9.251 -9.257 14.211 1.00 0.00 C ATOM 1183 NZ LYS A 78 -9.956 -9.499 15.500 1.00 0.00 N ATOM 0 H LYS A 78 -6.355 -6.189 10.797 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.808 -8.374 11.666 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.579 -7.263 12.990 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.796 -7.815 11.857 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.529 -10.093 12.504 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.013 -9.773 13.322 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.410 -9.831 15.156 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.518 -8.123 14.782 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.642 -8.351 13.748 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.455 -10.080 13.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.977 -9.587 15.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.601 -10.377 15.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.783 -8.702 16.145 1.00 0.00 H new ATOM 1197 N ARG A 79 -5.856 -10.523 10.670 1.00 0.00 N ATOM 1198 CA ARG A 79 -6.137 -11.690 9.843 1.00 0.00 C ATOM 1199 C ARG A 79 -7.243 -12.542 10.461 1.00 0.00 C ATOM 1200 O ARG A 79 -7.055 -13.151 11.514 1.00 0.00 O ATOM 1201 CB ARG A 79 -4.871 -12.531 9.665 1.00 0.00 C ATOM 1202 CG ARG A 79 -4.813 -13.268 8.337 1.00 0.00 C ATOM 1203 CD ARG A 79 -5.772 -14.448 8.312 1.00 0.00 C ATOM 1204 NE ARG A 79 -5.135 -15.682 8.764 1.00 0.00 N ATOM 1205 CZ ARG A 79 -5.139 -16.090 10.028 1.00 0.00 C ATOM 1206 NH1 ARG A 79 -5.744 -15.367 10.960 1.00 0.00 N ATOM 1207 NH2 ARG A 79 -4.537 -17.225 10.361 1.00 0.00 N ATOM 0 H ARG A 79 -5.451 -10.739 11.581 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.474 -11.340 8.867 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.999 -11.883 9.750 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.809 -13.256 10.477 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.059 -12.581 7.527 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -3.797 -13.620 8.159 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.631 -14.230 8.947 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.151 -14.586 7.299 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.661 -16.262 8.071 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.208 -14.495 10.707 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.745 -15.683 11.930 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.071 -17.784 9.646 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.540 -17.538 11.332 1.00 0.00 H new ATOM 1221 N GLU A 80 -8.395 -12.577 9.800 1.00 0.00 N ATOM 1222 CA GLU A 80 -9.531 -13.352 10.285 1.00 0.00 C ATOM 1223 C GLU A 80 -10.134 -14.195 9.164 1.00 0.00 C ATOM 1224 O GLU A 80 -11.146 -13.826 8.573 1.00 0.00 O ATOM 1225 CB GLU A 80 -10.597 -12.423 10.870 1.00 0.00 C ATOM 1226 CG GLU A 80 -11.420 -13.064 11.976 1.00 0.00 C ATOM 1227 CD GLU A 80 -11.865 -14.472 11.631 1.00 0.00 C ATOM 1228 OE1 GLU A 80 -12.410 -14.667 10.525 1.00 0.00 O ATOM 1229 OE2 GLU A 80 -11.668 -15.378 12.467 1.00 0.00 O ATOM 0 H GLU A 80 -8.567 -12.078 8.927 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.174 -14.022 11.067 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.113 -11.528 11.261 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.265 -12.101 10.071 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.833 -13.087 12.894 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.297 -12.448 12.174 1.00 0.00 H new ATOM 1236 N GLY A 81 -9.501 -15.328 8.879 1.00 0.00 N ATOM 1237 CA GLY A 81 -9.987 -16.205 7.830 1.00 0.00 C ATOM 1238 C GLY A 81 -9.707 -15.662 6.444 1.00 0.00 C ATOM 1239 O GLY A 81 -8.736 -14.939 6.221 1.00 0.00 O ATOM 0 H GLY A 81 -8.660 -15.655 9.356 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.520 -17.184 7.934 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.061 -16.349 7.950 1.00 0.00 H new ATOM 1243 N PRO A 82 -10.571 -16.014 5.479 1.00 0.00 N ATOM 1244 CA PRO A 82 -10.430 -15.569 4.089 1.00 0.00 C ATOM 1245 C PRO A 82 -10.707 -14.079 3.928 1.00 0.00 C ATOM 1246 O PRO A 82 -10.618 -13.536 2.826 1.00 0.00 O ATOM 1247 CB PRO A 82 -11.485 -16.392 3.346 1.00 0.00 C ATOM 1248 CG PRO A 82 -12.505 -16.726 4.380 1.00 0.00 C ATOM 1249 CD PRO A 82 -11.751 -16.874 5.672 1.00 0.00 C ATOM 0 HA PRO A 82 -9.416 -15.712 3.715 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -11.924 -15.824 2.526 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.051 -17.293 2.913 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.257 -15.940 4.455 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.030 -17.647 4.127 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.348 -16.551 6.525 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -11.467 -17.910 5.855 1.00 0.00 H new ATOM 1257 N LYS A 83 -11.044 -13.420 5.033 1.00 0.00 N ATOM 1258 CA LYS A 83 -11.331 -11.991 5.015 1.00 0.00 C ATOM 1259 C LYS A 83 -10.263 -11.211 5.775 1.00 0.00 C ATOM 1260 O LYS A 83 -9.540 -11.772 6.599 1.00 0.00 O ATOM 1261 CB LYS A 83 -12.707 -11.720 5.626 1.00 0.00 C ATOM 1262 CG LYS A 83 -12.887 -12.318 7.010 1.00 0.00 C ATOM 1263 CD LYS A 83 -14.173 -11.840 7.662 1.00 0.00 C ATOM 1264 CE LYS A 83 -14.502 -12.649 8.908 1.00 0.00 C ATOM 1265 NZ LYS A 83 -14.934 -14.034 8.571 1.00 0.00 N ATOM 0 H LYS A 83 -11.125 -13.854 5.952 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.328 -11.658 3.977 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.865 -10.643 5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.474 -12.121 4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.897 -13.406 6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.038 -12.047 7.637 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -14.079 -10.787 7.926 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -14.994 -11.918 6.949 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.627 -12.689 9.557 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.292 -12.148 9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.386 -14.468 9.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.612 -14.004 7.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.106 -14.598 8.294 1.00 0.00 H new ATOM 1279 N TYR A 84 -10.170 -9.917 5.493 1.00 0.00 N ATOM 1280 CA TYR A 84 -9.189 -9.061 6.151 1.00 0.00 C ATOM 1281 C TYR A 84 -9.878 -7.994 6.997 1.00 0.00 C ATOM 1282 O TYR A 84 -10.523 -7.088 6.471 1.00 0.00 O ATOM 1283 CB TYR A 84 -8.284 -8.396 5.111 1.00 0.00 C ATOM 1284 CG TYR A 84 -7.674 -9.371 4.130 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -7.487 -10.706 4.470 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -7.283 -8.957 2.862 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -6.929 -11.599 3.576 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -6.725 -9.845 1.961 1.00 0.00 C ATOM 1289 CZ TYR A 84 -6.551 -11.164 2.323 1.00 0.00 C ATOM 1290 OH TYR A 84 -5.994 -12.050 1.429 1.00 0.00 O ATOM 0 H TYR A 84 -10.761 -9.437 4.814 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.582 -9.684 6.808 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.861 -7.653 4.561 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.485 -7.862 5.625 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.783 -11.051 5.450 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.417 -7.924 2.576 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.789 -12.632 3.857 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.427 -9.507 0.979 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.785 -11.583 0.593 1.00 0.00 H new ATOM 1300 N VAL A 85 -9.733 -8.109 8.314 1.00 0.00 N ATOM 1301 CA VAL A 85 -10.338 -7.155 9.235 1.00 0.00 C ATOM 1302 C VAL A 85 -9.387 -6.001 9.535 1.00 0.00 C ATOM 1303 O VAL A 85 -8.210 -6.214 9.825 1.00 0.00 O ATOM 1304 CB VAL A 85 -10.741 -7.831 10.559 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -11.333 -6.813 11.521 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -11.721 -8.966 10.301 1.00 0.00 C ATOM 0 H VAL A 85 -9.202 -8.853 8.766 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.232 -6.767 8.747 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.846 -8.251 11.019 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.612 -7.310 12.450 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -10.595 -6.038 11.730 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.217 -6.360 11.073 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.995 -9.432 11.247 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -12.615 -8.572 9.818 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.256 -9.708 9.652 1.00 0.00 H new ATOM 1316 N ILE A 86 -9.906 -4.781 9.463 1.00 0.00 N ATOM 1317 CA ILE A 86 -9.104 -3.593 9.729 1.00 0.00 C ATOM 1318 C ILE A 86 -9.030 -3.302 11.224 1.00 0.00 C ATOM 1319 O ILE A 86 -9.912 -3.696 11.988 1.00 0.00 O ATOM 1320 CB ILE A 86 -9.671 -2.357 9.005 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -9.870 -2.657 7.518 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -8.744 -1.164 9.190 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -10.203 -1.434 6.694 1.00 0.00 C ATOM 0 H ILE A 86 -10.878 -4.589 9.223 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.102 -3.798 9.351 1.00 0.00 H new ATOM 0 HB ILE A 86 -10.640 -2.112 9.440 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -8.963 -3.115 7.124 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.670 -3.389 7.407 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.158 -0.298 8.673 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.647 -0.940 10.252 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.763 -1.398 8.777 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.330 -1.722 5.650 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.127 -0.987 7.062 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -9.393 -0.710 6.774 1.00 0.00 H new ATOM 1335 N ASP A 87 -7.973 -2.610 11.634 1.00 0.00 N ATOM 1336 CA ASP A 87 -7.784 -2.264 13.038 1.00 0.00 C ATOM 1337 C ASP A 87 -8.290 -0.852 13.322 1.00 0.00 C ATOM 1338 O ASP A 87 -7.501 0.066 13.547 1.00 0.00 O ATOM 1339 CB ASP A 87 -6.308 -2.377 13.420 1.00 0.00 C ATOM 1340 CG ASP A 87 -6.109 -2.597 14.907 1.00 0.00 C ATOM 1341 OD1 ASP A 87 -6.282 -1.630 15.678 1.00 0.00 O ATOM 1342 OD2 ASP A 87 -5.781 -3.736 15.298 1.00 0.00 O ATOM 0 H ASP A 87 -7.234 -2.278 11.014 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.361 -2.966 13.640 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.856 -3.202 12.870 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.787 -1.469 13.117 1.00 0.00 H new ATOM 1347 N VAL A 88 -9.609 -0.687 13.309 1.00 0.00 N ATOM 1348 CA VAL A 88 -10.218 0.612 13.565 1.00 0.00 C ATOM 1349 C VAL A 88 -11.445 0.476 14.461 1.00 0.00 C ATOM 1350 O VAL A 88 -11.885 -0.633 14.762 1.00 0.00 O ATOM 1351 CB VAL A 88 -10.628 1.307 12.254 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -9.412 1.906 11.563 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -11.346 0.331 11.335 1.00 0.00 C ATOM 0 H VAL A 88 -10.276 -1.437 13.124 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.468 1.220 14.071 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.316 2.118 12.494 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.722 2.393 10.638 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.945 2.639 12.220 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.697 1.116 11.335 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.628 0.840 10.413 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.684 -0.503 11.101 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.241 -0.045 11.831 1.00 0.00 H new ATOM 1363 N GLU A 89 -11.993 1.612 14.881 1.00 0.00 N ATOM 1364 CA GLU A 89 -13.169 1.618 15.742 1.00 0.00 C ATOM 1365 C GLU A 89 -14.142 0.513 15.345 1.00 0.00 C ATOM 1366 O GLU A 89 -14.586 -0.268 16.186 1.00 0.00 O ATOM 1367 CB GLU A 89 -13.870 2.977 15.675 1.00 0.00 C ATOM 1368 CG GLU A 89 -12.937 4.155 15.900 1.00 0.00 C ATOM 1369 CD GLU A 89 -12.076 3.990 17.136 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -12.526 4.385 18.231 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -10.951 3.464 17.008 1.00 0.00 O ATOM 0 H GLU A 89 -11.642 2.539 14.639 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.838 1.436 16.765 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -14.347 3.083 14.700 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -14.663 3.005 16.422 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.294 4.276 15.028 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.526 5.068 15.991 1.00 0.00 H new ATOM 1378 N GLN A 90 -14.465 0.453 14.057 1.00 0.00 N ATOM 1379 CA GLN A 90 -15.386 -0.557 13.548 1.00 0.00 C ATOM 1380 C GLN A 90 -14.634 -1.646 12.788 1.00 0.00 C ATOM 1381 O GLN A 90 -13.810 -1.371 11.915 1.00 0.00 O ATOM 1382 CB GLN A 90 -16.431 0.088 12.636 1.00 0.00 C ATOM 1383 CG GLN A 90 -17.754 -0.662 12.600 1.00 0.00 C ATOM 1384 CD GLN A 90 -18.637 -0.231 11.446 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -18.570 0.911 10.989 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -19.473 -1.145 10.967 1.00 0.00 N ATOM 0 H GLN A 90 -14.103 1.091 13.348 1.00 0.00 H new ATOM 0 HA GLN A 90 -15.890 -1.015 14.399 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -16.611 1.110 12.970 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -16.030 0.149 11.624 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -17.559 -1.732 12.524 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -18.284 -0.501 13.538 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -19.496 -2.079 11.376 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -20.092 -0.913 10.191 1.00 0.00 H new ATOM 1395 N PRO A 91 -14.922 -2.911 13.127 1.00 0.00 N ATOM 1396 CA PRO A 91 -14.284 -4.066 12.488 1.00 0.00 C ATOM 1397 C PRO A 91 -14.729 -4.248 11.041 1.00 0.00 C ATOM 1398 O PRO A 91 -15.658 -5.005 10.757 1.00 0.00 O ATOM 1399 CB PRO A 91 -14.750 -5.247 13.344 1.00 0.00 C ATOM 1400 CG PRO A 91 -16.035 -4.793 13.946 1.00 0.00 C ATOM 1401 CD PRO A 91 -15.894 -3.312 14.158 1.00 0.00 C ATOM 0 HA PRO A 91 -13.200 -3.958 12.440 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.890 -6.143 12.740 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -14.017 -5.493 14.113 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -16.874 -5.014 13.287 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -16.227 -5.305 14.889 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -16.846 -2.796 14.035 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -15.534 -3.082 15.161 1.00 0.00 H new ATOM 1409 N PHE A 92 -14.062 -3.549 10.128 1.00 0.00 N ATOM 1410 CA PHE A 92 -14.390 -3.634 8.710 1.00 0.00 C ATOM 1411 C PHE A 92 -13.595 -4.747 8.033 1.00 0.00 C ATOM 1412 O PHE A 92 -12.367 -4.695 7.970 1.00 0.00 O ATOM 1413 CB PHE A 92 -14.109 -2.297 8.019 1.00 0.00 C ATOM 1414 CG PHE A 92 -14.448 -2.296 6.556 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -15.768 -2.317 6.138 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -13.446 -2.274 5.600 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -16.084 -2.315 4.791 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -13.756 -2.272 4.253 1.00 0.00 C ATOM 1419 CZ PHE A 92 -15.076 -2.294 3.848 1.00 0.00 C ATOM 0 H PHE A 92 -13.291 -2.917 10.345 1.00 0.00 H new ATOM 0 HA PHE A 92 -15.452 -3.865 8.621 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -14.680 -1.513 8.517 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.054 -2.049 8.140 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -16.560 -2.335 6.872 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -12.412 -2.258 5.910 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -17.117 -2.330 4.478 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -12.966 -2.253 3.517 1.00 0.00 H new ATOM 0 HZ PHE A 92 -15.319 -2.295 2.796 1.00 0.00 H new ATOM 1429 N SER A 93 -14.305 -5.751 7.530 1.00 0.00 N ATOM 1430 CA SER A 93 -13.666 -6.879 6.861 1.00 0.00 C ATOM 1431 C SER A 93 -13.801 -6.761 5.347 1.00 0.00 C ATOM 1432 O SER A 93 -14.583 -5.951 4.844 1.00 0.00 O ATOM 1433 CB SER A 93 -14.280 -8.196 7.339 1.00 0.00 C ATOM 1434 OG SER A 93 -15.688 -8.189 7.180 1.00 0.00 O ATOM 0 H SER A 93 -15.323 -5.807 7.573 1.00 0.00 H new ATOM 0 HA SER A 93 -12.606 -6.867 7.115 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.851 -9.026 6.777 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.030 -8.358 8.387 1.00 0.00 H new ATOM 0 HG SER A 93 -16.057 -9.042 7.491 1.00 0.00 H new ATOM 1440 N CYS A 94 -13.036 -7.571 4.626 1.00 0.00 N ATOM 1441 CA CYS A 94 -13.068 -7.558 3.167 1.00 0.00 C ATOM 1442 C CYS A 94 -12.529 -8.866 2.599 1.00 0.00 C ATOM 1443 O CYS A 94 -11.839 -9.619 3.290 1.00 0.00 O ATOM 1444 CB CYS A 94 -12.256 -6.380 2.629 1.00 0.00 C ATOM 1445 SG CYS A 94 -13.101 -4.786 2.743 1.00 0.00 S ATOM 0 H CYS A 94 -12.385 -8.246 5.027 1.00 0.00 H new ATOM 0 HA CYS A 94 -14.106 -7.448 2.852 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -11.316 -6.320 3.177 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -12.005 -6.572 1.586 1.00 0.00 H new ATOM 0 HG CYS A 94 -13.734 -4.710 3.876 1.00 0.00 H new ATOM 1451 N THR A 95 -12.847 -9.134 1.336 1.00 0.00 N ATOM 1452 CA THR A 95 -12.396 -10.352 0.676 1.00 0.00 C ATOM 1453 C THR A 95 -10.988 -10.186 0.118 1.00 0.00 C ATOM 1454 O THR A 95 -10.122 -11.035 0.330 1.00 0.00 O ATOM 1455 CB THR A 95 -13.346 -10.756 -0.468 1.00 0.00 C ATOM 1456 OG1 THR A 95 -13.523 -9.656 -1.368 1.00 0.00 O ATOM 1457 CG2 THR A 95 -14.696 -11.193 0.078 1.00 0.00 C ATOM 0 H THR A 95 -13.416 -8.523 0.750 1.00 0.00 H new ATOM 0 HA THR A 95 -12.394 -11.138 1.431 1.00 0.00 H new ATOM 0 HB THR A 95 -12.900 -11.595 -1.002 1.00 0.00 H new ATOM 0 HG1 THR A 95 -14.127 -9.921 -2.093 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.349 -11.473 -0.748 1.00 0.00 H new ATOM 0 HG22 THR A 95 -14.561 -12.048 0.740 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.147 -10.371 0.634 1.00 0.00 H new ATOM 1465 N SER A 96 -10.766 -9.088 -0.598 1.00 0.00 N ATOM 1466 CA SER A 96 -9.461 -8.812 -1.190 1.00 0.00 C ATOM 1467 C SER A 96 -8.846 -7.553 -0.587 1.00 0.00 C ATOM 1468 O SER A 96 -9.528 -6.772 0.077 1.00 0.00 O ATOM 1469 CB SER A 96 -9.589 -8.656 -2.706 1.00 0.00 C ATOM 1470 OG SER A 96 -10.462 -7.589 -3.036 1.00 0.00 O ATOM 0 H SER A 96 -11.472 -8.375 -0.782 1.00 0.00 H new ATOM 0 HA SER A 96 -8.805 -9.655 -0.973 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.606 -8.474 -3.140 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.962 -9.583 -3.140 1.00 0.00 H new ATOM 0 HG SER A 96 -10.220 -7.228 -3.914 1.00 0.00 H new ATOM 1476 N LEU A 97 -7.553 -7.364 -0.823 1.00 0.00 N ATOM 1477 CA LEU A 97 -6.843 -6.199 -0.304 1.00 0.00 C ATOM 1478 C LEU A 97 -7.382 -4.913 -0.924 1.00 0.00 C ATOM 1479 O LEU A 97 -7.681 -3.950 -0.217 1.00 0.00 O ATOM 1480 CB LEU A 97 -5.344 -6.325 -0.582 1.00 0.00 C ATOM 1481 CG LEU A 97 -4.523 -7.056 0.480 1.00 0.00 C ATOM 1482 CD1 LEU A 97 -3.111 -7.315 -0.022 1.00 0.00 C ATOM 1483 CD2 LEU A 97 -4.493 -6.257 1.774 1.00 0.00 C ATOM 0 H LEU A 97 -6.974 -8.002 -1.370 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.003 -6.156 0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.214 -6.842 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.932 -5.323 -0.705 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.997 -8.017 0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.541 -7.836 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.152 -7.929 -0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.627 -6.366 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.904 -6.793 2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.043 -5.281 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.510 -6.124 2.143 1.00 0.00 H new ATOM 1495 N ASP A 98 -7.502 -4.905 -2.247 1.00 0.00 N ATOM 1496 CA ASP A 98 -8.007 -3.738 -2.961 1.00 0.00 C ATOM 1497 C ASP A 98 -9.130 -3.065 -2.178 1.00 0.00 C ATOM 1498 O ASP A 98 -9.013 -1.908 -1.777 1.00 0.00 O ATOM 1499 CB ASP A 98 -8.508 -4.141 -4.349 1.00 0.00 C ATOM 1500 CG ASP A 98 -9.202 -5.489 -4.346 1.00 0.00 C ATOM 1501 OD1 ASP A 98 -8.506 -6.514 -4.192 1.00 0.00 O ATOM 1502 OD2 ASP A 98 -10.442 -5.518 -4.497 1.00 0.00 O ATOM 0 H ASP A 98 -7.257 -5.693 -2.846 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.188 -3.027 -3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -9.198 -3.382 -4.718 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.667 -4.171 -5.041 1.00 0.00 H new ATOM 1507 N ALA A 99 -10.217 -3.798 -1.964 1.00 0.00 N ATOM 1508 CA ALA A 99 -11.360 -3.273 -1.228 1.00 0.00 C ATOM 1509 C ALA A 99 -10.910 -2.485 -0.002 1.00 0.00 C ATOM 1510 O ALA A 99 -11.431 -1.407 0.281 1.00 0.00 O ATOM 1511 CB ALA A 99 -12.291 -4.406 -0.818 1.00 0.00 C ATOM 0 H ALA A 99 -10.330 -4.758 -2.290 1.00 0.00 H new ATOM 0 HA ALA A 99 -11.902 -2.593 -1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.140 -3.999 -0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.649 -4.923 -1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.751 -5.108 -0.183 1.00 0.00 H new ATOM 1517 N VAL A 100 -9.938 -3.032 0.722 1.00 0.00 N ATOM 1518 CA VAL A 100 -9.417 -2.380 1.917 1.00 0.00 C ATOM 1519 C VAL A 100 -8.917 -0.974 1.603 1.00 0.00 C ATOM 1520 O VAL A 100 -9.217 -0.023 2.323 1.00 0.00 O ATOM 1521 CB VAL A 100 -8.268 -3.193 2.544 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -7.833 -2.573 3.863 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -8.687 -4.643 2.739 1.00 0.00 C ATOM 0 H VAL A 100 -9.496 -3.924 0.502 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.240 -2.319 2.629 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.417 -3.173 1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.021 -3.161 4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -7.491 -1.553 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.675 -2.561 4.555 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.864 -5.203 3.183 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.553 -4.686 3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.945 -5.080 1.774 1.00 0.00 H new ATOM 1533 N VAL A 101 -8.153 -0.851 0.523 1.00 0.00 N ATOM 1534 CA VAL A 101 -7.613 0.438 0.111 1.00 0.00 C ATOM 1535 C VAL A 101 -8.725 1.464 -0.080 1.00 0.00 C ATOM 1536 O VAL A 101 -8.590 2.621 0.317 1.00 0.00 O ATOM 1537 CB VAL A 101 -6.809 0.319 -1.197 1.00 0.00 C ATOM 1538 CG1 VAL A 101 -6.192 1.658 -1.569 1.00 0.00 C ATOM 1539 CG2 VAL A 101 -5.738 -0.753 -1.068 1.00 0.00 C ATOM 0 H VAL A 101 -7.894 -1.630 -0.083 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.948 0.771 0.908 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.490 0.026 -1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.628 1.554 -2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -6.982 2.397 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.524 1.985 -0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.180 -0.824 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.058 -0.492 -0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.208 -1.713 -0.853 1.00 0.00 H new ATOM 1549 N ASN A 102 -9.823 1.032 -0.690 1.00 0.00 N ATOM 1550 CA ASN A 102 -10.960 1.912 -0.933 1.00 0.00 C ATOM 1551 C ASN A 102 -11.598 2.354 0.380 1.00 0.00 C ATOM 1552 O ASN A 102 -11.741 3.548 0.643 1.00 0.00 O ATOM 1553 CB ASN A 102 -11.999 1.209 -1.808 1.00 0.00 C ATOM 1554 CG ASN A 102 -11.689 1.332 -3.287 1.00 0.00 C ATOM 1555 OD1 ASN A 102 -12.057 2.315 -3.931 1.00 0.00 O ATOM 1556 ND2 ASN A 102 -11.007 0.332 -3.834 1.00 0.00 N ATOM 0 H ASN A 102 -9.950 0.077 -1.025 1.00 0.00 H new ATOM 0 HA ASN A 102 -10.596 2.797 -1.454 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.045 0.155 -1.536 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -12.983 1.633 -1.610 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -10.768 0.360 -4.825 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.722 -0.464 -3.263 1.00 0.00 H new ATOM 1563 N TYR A 103 -11.979 1.381 1.202 1.00 0.00 N ATOM 1564 CA TYR A 103 -12.604 1.668 2.487 1.00 0.00 C ATOM 1565 C TYR A 103 -11.940 2.866 3.160 1.00 0.00 C ATOM 1566 O TYR A 103 -12.562 3.912 3.344 1.00 0.00 O ATOM 1567 CB TYR A 103 -12.522 0.445 3.401 1.00 0.00 C ATOM 1568 CG TYR A 103 -12.927 0.730 4.830 1.00 0.00 C ATOM 1569 CD1 TYR A 103 -12.006 1.210 5.753 1.00 0.00 C ATOM 1570 CD2 TYR A 103 -14.233 0.517 5.257 1.00 0.00 C ATOM 1571 CE1 TYR A 103 -12.373 1.470 7.059 1.00 0.00 C ATOM 1572 CE2 TYR A 103 -14.609 0.777 6.561 1.00 0.00 C ATOM 1573 CZ TYR A 103 -13.675 1.252 7.458 1.00 0.00 C ATOM 1574 OH TYR A 103 -14.044 1.511 8.759 1.00 0.00 O ATOM 0 H TYR A 103 -11.866 0.388 1.001 1.00 0.00 H new ATOM 0 HA TYR A 103 -13.652 1.910 2.308 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -13.162 -0.341 3.001 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -11.502 0.062 3.391 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.986 1.383 5.444 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -14.966 0.142 4.558 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -11.644 1.842 7.764 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -15.628 0.609 6.876 1.00 0.00 H new ATOM 0 HH TYR A 103 -13.821 2.438 8.984 1.00 0.00 H new ATOM 1584 N PHE A 104 -10.673 2.705 3.525 1.00 0.00 N ATOM 1585 CA PHE A 104 -9.923 3.771 4.178 1.00 0.00 C ATOM 1586 C PHE A 104 -10.327 5.136 3.627 1.00 0.00 C ATOM 1587 O PHE A 104 -10.738 6.023 4.375 1.00 0.00 O ATOM 1588 CB PHE A 104 -8.420 3.557 3.988 1.00 0.00 C ATOM 1589 CG PHE A 104 -7.790 2.734 5.074 1.00 0.00 C ATOM 1590 CD1 PHE A 104 -7.667 3.236 6.359 1.00 0.00 C ATOM 1591 CD2 PHE A 104 -7.320 1.457 4.810 1.00 0.00 C ATOM 1592 CE1 PHE A 104 -7.088 2.482 7.362 1.00 0.00 C ATOM 1593 CE2 PHE A 104 -6.741 0.697 5.808 1.00 0.00 C ATOM 1594 CZ PHE A 104 -6.623 1.210 7.086 1.00 0.00 C ATOM 0 H PHE A 104 -10.143 1.845 3.379 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.155 3.745 5.243 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.249 3.070 3.028 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.925 4.527 3.945 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.028 4.230 6.580 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.407 1.052 3.813 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.999 2.886 8.360 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.381 -0.297 5.590 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.169 0.618 7.867 1.00 0.00 H new ATOM 1604 N VAL A 105 -10.208 5.297 2.313 1.00 0.00 N ATOM 1605 CA VAL A 105 -10.560 6.551 1.661 1.00 0.00 C ATOM 1606 C VAL A 105 -11.822 7.153 2.272 1.00 0.00 C ATOM 1607 O VAL A 105 -11.824 8.303 2.710 1.00 0.00 O ATOM 1608 CB VAL A 105 -10.780 6.356 0.149 1.00 0.00 C ATOM 1609 CG1 VAL A 105 -11.111 7.683 -0.519 1.00 0.00 C ATOM 1610 CG2 VAL A 105 -9.553 5.721 -0.488 1.00 0.00 C ATOM 0 H VAL A 105 -9.870 4.573 1.679 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.723 7.232 1.814 1.00 0.00 H new ATOM 0 HB VAL A 105 -11.626 5.684 0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -11.263 7.525 -1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -12.020 8.095 -0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.287 8.381 -0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.724 5.590 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.688 6.367 -0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.366 4.750 -0.029 1.00 0.00 H new ATOM 1620 N SER A 106 -12.892 6.366 2.299 1.00 0.00 N ATOM 1621 CA SER A 106 -14.162 6.822 2.854 1.00 0.00 C ATOM 1622 C SER A 106 -14.073 6.959 4.370 1.00 0.00 C ATOM 1623 O SER A 106 -14.520 7.954 4.942 1.00 0.00 O ATOM 1624 CB SER A 106 -15.284 5.850 2.482 1.00 0.00 C ATOM 1625 OG SER A 106 -16.554 6.467 2.603 1.00 0.00 O ATOM 0 H SER A 106 -12.906 5.410 1.944 1.00 0.00 H new ATOM 0 HA SER A 106 -14.385 7.801 2.431 1.00 0.00 H new ATOM 0 HB2 SER A 106 -15.142 5.500 1.459 1.00 0.00 H new ATOM 0 HB3 SER A 106 -15.239 4.973 3.128 1.00 0.00 H new ATOM 0 HG SER A 106 -17.254 5.826 2.358 1.00 0.00 H new ATOM 1631 N HIS A 107 -13.495 5.952 5.017 1.00 0.00 N ATOM 1632 CA HIS A 107 -13.347 5.959 6.468 1.00 0.00 C ATOM 1633 C HIS A 107 -12.828 7.309 6.954 1.00 0.00 C ATOM 1634 O HIS A 107 -13.453 7.963 7.789 1.00 0.00 O ATOM 1635 CB HIS A 107 -12.398 4.844 6.910 1.00 0.00 C ATOM 1636 CG HIS A 107 -12.197 4.784 8.393 1.00 0.00 C ATOM 1637 ND1 HIS A 107 -13.230 4.590 9.286 1.00 0.00 N ATOM 1638 CD2 HIS A 107 -11.072 4.890 9.138 1.00 0.00 C ATOM 1639 CE1 HIS A 107 -12.749 4.583 10.516 1.00 0.00 C ATOM 1640 NE2 HIS A 107 -11.442 4.762 10.455 1.00 0.00 N ATOM 0 H HIS A 107 -13.121 5.121 4.559 1.00 0.00 H new ATOM 0 HA HIS A 107 -14.328 5.787 6.910 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -12.789 3.887 6.565 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -11.432 4.987 6.426 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -10.070 5.046 8.766 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -13.327 4.453 11.419 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.810 4.799 11.255 1.00 0.00 H new ATOM 1649 N THR A 108 -11.678 7.720 6.427 1.00 0.00 N ATOM 1650 CA THR A 108 -11.073 8.990 6.809 1.00 0.00 C ATOM 1651 C THR A 108 -12.051 10.144 6.620 1.00 0.00 C ATOM 1652 O THR A 108 -13.217 9.934 6.282 1.00 0.00 O ATOM 1653 CB THR A 108 -9.798 9.273 5.991 1.00 0.00 C ATOM 1654 OG1 THR A 108 -10.112 9.317 4.594 1.00 0.00 O ATOM 1655 CG2 THR A 108 -8.744 8.208 6.246 1.00 0.00 C ATOM 0 H THR A 108 -11.147 7.191 5.735 1.00 0.00 H new ATOM 0 HA THR A 108 -10.809 8.910 7.864 1.00 0.00 H new ATOM 0 HB THR A 108 -9.399 10.238 6.304 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.900 8.761 4.418 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.853 8.429 5.658 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.486 8.198 7.305 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.136 7.232 5.958 1.00 0.00 H new ATOM 1663 N LYS A 109 -11.571 11.363 6.840 1.00 0.00 N ATOM 1664 CA LYS A 109 -12.402 12.552 6.693 1.00 0.00 C ATOM 1665 C LYS A 109 -11.785 13.526 5.694 1.00 0.00 C ATOM 1666 O LYS A 109 -12.264 14.648 5.530 1.00 0.00 O ATOM 1667 CB LYS A 109 -12.588 13.241 8.046 1.00 0.00 C ATOM 1668 CG LYS A 109 -11.280 13.566 8.747 1.00 0.00 C ATOM 1669 CD LYS A 109 -10.749 14.928 8.332 1.00 0.00 C ATOM 1670 CE LYS A 109 -9.256 15.049 8.598 1.00 0.00 C ATOM 1671 NZ LYS A 109 -8.792 16.462 8.520 1.00 0.00 N ATOM 0 H LYS A 109 -10.609 11.554 7.121 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.376 12.240 6.316 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.152 14.163 7.901 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.187 12.599 8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -11.430 13.546 9.826 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.541 12.800 8.514 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.945 15.088 7.272 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.281 15.708 8.876 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -9.029 14.646 9.585 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -8.708 14.446 7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -7.757 16.482 8.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -9.230 16.926 7.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -9.064 16.965 9.388 1.00 0.00 H new ATOM 1685 N LYS A 110 -10.722 13.090 5.029 1.00 0.00 N ATOM 1686 CA LYS A 110 -10.041 13.923 4.044 1.00 0.00 C ATOM 1687 C LYS A 110 -9.873 13.176 2.724 1.00 0.00 C ATOM 1688 O LYS A 110 -10.110 11.971 2.646 1.00 0.00 O ATOM 1689 CB LYS A 110 -8.673 14.358 4.573 1.00 0.00 C ATOM 1690 CG LYS A 110 -8.715 15.638 5.388 1.00 0.00 C ATOM 1691 CD LYS A 110 -8.412 16.856 4.532 1.00 0.00 C ATOM 1692 CE LYS A 110 -9.687 17.513 4.025 1.00 0.00 C ATOM 1693 NZ LYS A 110 -10.177 18.563 4.960 1.00 0.00 N ATOM 0 H LYS A 110 -10.312 12.164 5.154 1.00 0.00 H new ATOM 0 HA LYS A 110 -10.653 14.807 3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.260 13.559 5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -7.994 14.495 3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -9.699 15.748 5.843 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.993 15.576 6.202 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.837 17.576 5.113 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.792 16.562 3.685 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.504 17.955 3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.459 16.755 3.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -11.047 18.987 4.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -10.376 18.137 5.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.450 19.299 5.066 1.00 0.00 H new ATOM 1707 N ALA A 111 -9.462 13.900 1.688 1.00 0.00 N ATOM 1708 CA ALA A 111 -9.259 13.306 0.372 1.00 0.00 C ATOM 1709 C ALA A 111 -7.861 12.711 0.248 1.00 0.00 C ATOM 1710 O ALA A 111 -6.894 13.424 -0.028 1.00 0.00 O ATOM 1711 CB ALA A 111 -9.493 14.343 -0.716 1.00 0.00 C ATOM 0 H ALA A 111 -9.263 14.899 1.735 1.00 0.00 H new ATOM 0 HA ALA A 111 -9.980 12.498 0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -9.338 13.886 -1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -10.514 14.717 -0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -8.794 15.170 -0.587 1.00 0.00 H new ATOM 1717 N LEU A 112 -7.759 11.403 0.455 1.00 0.00 N ATOM 1718 CA LEU A 112 -6.478 10.712 0.366 1.00 0.00 C ATOM 1719 C LEU A 112 -6.258 10.149 -1.034 1.00 0.00 C ATOM 1720 O LEU A 112 -7.211 9.919 -1.779 1.00 0.00 O ATOM 1721 CB LEU A 112 -6.412 9.584 1.398 1.00 0.00 C ATOM 1722 CG LEU A 112 -6.218 10.014 2.852 1.00 0.00 C ATOM 1723 CD1 LEU A 112 -6.393 8.829 3.788 1.00 0.00 C ATOM 1724 CD2 LEU A 112 -4.847 10.648 3.041 1.00 0.00 C ATOM 0 H LEU A 112 -8.548 10.800 0.686 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.689 11.434 0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.332 9.004 1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.594 8.917 1.125 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.977 10.757 3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.251 9.155 4.818 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.396 8.419 3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.657 8.062 3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.725 10.948 4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.073 9.926 2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.759 11.524 2.398 1.00 0.00 H new ATOM 1736 N VAL A 113 -4.995 9.926 -1.386 1.00 0.00 N ATOM 1737 CA VAL A 113 -4.650 9.387 -2.696 1.00 0.00 C ATOM 1738 C VAL A 113 -3.709 8.195 -2.568 1.00 0.00 C ATOM 1739 O VAL A 113 -2.779 8.191 -1.761 1.00 0.00 O ATOM 1740 CB VAL A 113 -3.989 10.457 -3.586 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -3.565 9.855 -4.917 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -4.934 11.630 -3.800 1.00 0.00 C ATOM 0 H VAL A 113 -4.194 10.110 -0.782 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.581 9.063 -3.161 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.097 10.826 -3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.100 10.625 -5.533 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.851 9.050 -4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.440 9.458 -5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.451 12.376 -4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.845 11.280 -4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.184 12.076 -2.837 1.00 0.00 H new ATOM 1752 N PRO A 114 -3.952 7.160 -3.384 1.00 0.00 N ATOM 1753 CA PRO A 114 -3.135 5.942 -3.383 1.00 0.00 C ATOM 1754 C PRO A 114 -1.737 6.180 -3.942 1.00 0.00 C ATOM 1755 O PRO A 114 -1.546 7.014 -4.827 1.00 0.00 O ATOM 1756 CB PRO A 114 -3.919 4.988 -4.289 1.00 0.00 C ATOM 1757 CG PRO A 114 -4.704 5.880 -5.188 1.00 0.00 C ATOM 1758 CD PRO A 114 -5.042 7.096 -4.372 1.00 0.00 C ATOM 0 HA PRO A 114 -2.975 5.560 -2.375 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -3.250 4.342 -4.858 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -4.572 4.337 -3.708 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -4.125 6.151 -6.071 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -5.608 5.382 -5.540 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -5.079 7.995 -4.987 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -6.015 6.999 -3.891 1.00 0.00 H new ATOM 1766 N PHE A 115 -0.763 5.442 -3.422 1.00 0.00 N ATOM 1767 CA PHE A 115 0.619 5.574 -3.870 1.00 0.00 C ATOM 1768 C PHE A 115 0.990 4.445 -4.828 1.00 0.00 C ATOM 1769 O PHE A 115 0.627 3.288 -4.612 1.00 0.00 O ATOM 1770 CB PHE A 115 1.568 5.573 -2.670 1.00 0.00 C ATOM 1771 CG PHE A 115 3.012 5.750 -3.048 1.00 0.00 C ATOM 1772 CD1 PHE A 115 3.683 4.763 -3.752 1.00 0.00 C ATOM 1773 CD2 PHE A 115 3.697 6.902 -2.698 1.00 0.00 C ATOM 1774 CE1 PHE A 115 5.010 4.923 -4.100 1.00 0.00 C ATOM 1775 CE2 PHE A 115 5.024 7.067 -3.044 1.00 0.00 C ATOM 1776 CZ PHE A 115 5.682 6.076 -3.746 1.00 0.00 C ATOM 0 H PHE A 115 -0.904 4.746 -2.690 1.00 0.00 H new ATOM 0 HA PHE A 115 0.715 6.522 -4.399 1.00 0.00 H new ATOM 0 HB2 PHE A 115 1.279 6.372 -1.987 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.455 4.634 -2.128 1.00 0.00 H new ATOM 0 HD1 PHE A 115 3.163 3.859 -4.032 1.00 0.00 H new ATOM 0 HD2 PHE A 115 3.188 7.680 -2.148 1.00 0.00 H new ATOM 0 HE1 PHE A 115 5.522 4.146 -4.649 1.00 0.00 H new ATOM 0 HE2 PHE A 115 5.547 7.970 -2.766 1.00 0.00 H new ATOM 0 HZ PHE A 115 6.720 6.203 -4.017 1.00 0.00 H new ATOM 1786 N LEU A 116 1.714 4.791 -5.887 1.00 0.00 N ATOM 1787 CA LEU A 116 2.135 3.809 -6.879 1.00 0.00 C ATOM 1788 C LEU A 116 3.485 4.186 -7.480 1.00 0.00 C ATOM 1789 O LEU A 116 3.892 5.348 -7.441 1.00 0.00 O ATOM 1790 CB LEU A 116 1.087 3.692 -7.986 1.00 0.00 C ATOM 1791 CG LEU A 116 1.392 2.687 -9.097 1.00 0.00 C ATOM 1792 CD1 LEU A 116 1.530 1.285 -8.525 1.00 0.00 C ATOM 1793 CD2 LEU A 116 0.308 2.724 -10.164 1.00 0.00 C ATOM 0 H LEU A 116 2.021 5.744 -6.080 1.00 0.00 H new ATOM 0 HA LEU A 116 2.237 2.846 -6.379 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.135 3.421 -7.530 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.955 4.675 -8.439 1.00 0.00 H new ATOM 0 HG LEU A 116 2.339 2.964 -9.560 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.747 0.583 -9.330 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.343 1.267 -7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.599 0.999 -8.035 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.543 2.002 -10.946 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.653 2.473 -9.715 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.257 3.723 -10.596 1.00 0.00 H new ATOM 1805 N LEU A 117 4.176 3.198 -8.038 1.00 0.00 N ATOM 1806 CA LEU A 117 5.480 3.426 -8.651 1.00 0.00 C ATOM 1807 C LEU A 117 5.604 2.666 -9.967 1.00 0.00 C ATOM 1808 O LEU A 117 5.544 1.436 -9.994 1.00 0.00 O ATOM 1809 CB LEU A 117 6.596 2.999 -7.694 1.00 0.00 C ATOM 1810 CG LEU A 117 7.913 3.765 -7.816 1.00 0.00 C ATOM 1811 CD1 LEU A 117 8.618 3.414 -9.116 1.00 0.00 C ATOM 1812 CD2 LEU A 117 7.667 5.264 -7.728 1.00 0.00 C ATOM 0 H LEU A 117 3.855 2.231 -8.079 1.00 0.00 H new ATOM 0 HA LEU A 117 5.575 4.492 -8.859 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.231 3.104 -6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 117 6.799 1.940 -7.853 1.00 0.00 H new ATOM 0 HG LEU A 117 8.559 3.473 -6.988 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.553 3.969 -9.184 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.828 2.345 -9.139 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.978 3.676 -9.959 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.615 5.794 -7.817 1.00 0.00 H new ATOM 0 HD22 LEU A 117 7.002 5.572 -8.535 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.207 5.502 -6.769 1.00 0.00 H new ATOM 1824 N ASP A 118 5.780 3.406 -11.056 1.00 0.00 N ATOM 1825 CA ASP A 118 5.916 2.801 -12.377 1.00 0.00 C ATOM 1826 C ASP A 118 7.345 2.324 -12.611 1.00 0.00 C ATOM 1827 O ASP A 118 7.760 2.110 -13.751 1.00 0.00 O ATOM 1828 CB ASP A 118 5.514 3.801 -13.462 1.00 0.00 C ATOM 1829 CG ASP A 118 6.308 5.090 -13.384 1.00 0.00 C ATOM 1830 OD1 ASP A 118 7.375 5.170 -14.026 1.00 0.00 O ATOM 1831 OD2 ASP A 118 5.859 6.020 -12.682 1.00 0.00 O ATOM 0 H ASP A 118 5.832 4.425 -11.051 1.00 0.00 H new ATOM 0 HA ASP A 118 5.252 1.938 -12.425 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.659 3.347 -14.442 1.00 0.00 H new ATOM 0 HB3 ASP A 118 4.452 4.026 -13.369 1.00 0.00 H new TER 1836 ASP A 118