USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 682 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 35 HIS : no HE2:sc= 0.822 K(o=1.5,f=-4.7!) USER MOD Set 1.2: B 199 CYS SG : rot 13:sc= 0.688 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -146:sc= 2.33 (180deg=1.3) USER MOD Single : A 25 LYS NZ :NH3+ -166:sc= 1.25 (180deg=1.18) USER MOD Single : A 29 GLN : amide:sc= -0.0513 X(o=-0.051,f=-0.54) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -88:sc= 0.537 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -150:sc= -0.156 USER MOD Single : A 43 HIS : no HD1:sc= -0.269 X(o=-0.27,f=0.0024) USER MOD Single : A 45 LYS NZ :NH3+ -147:sc= 1.23 (180deg=1.09) USER MOD Single : A 46 LYS NZ :NH3+ 153:sc= -0.36 (180deg=-1.29) USER MOD Single : A 48 LYS NZ :NH3+ 151:sc= 2.05 (180deg=1.27) USER MOD Single : A 50 SER OG : rot 93:sc= 1.21 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 75:sc= 0.775 USER MOD Single : A 53 GLN : amide:sc= -1.94! C(o=-1.9!,f=-4.3!) USER MOD Single : A 55 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.053) USER MOD Single : A 59 MET CE :methyl -150:sc= 0 (180deg=-0.234) USER MOD Single : A 60 ASN : amide:sc= 0.864 K(o=0.86,f=-0.089) USER MOD Single : A 61 SER OG : rot -87:sc= 1.25 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 74 ASN : amide:sc= 0.00276 K(o=0.0028,f=-1.6!) USER MOD Single : A 75 HIS : no HD1:sc= -1.05! C(o=-1.1!,f=-7.6!) USER MOD Single : A 76 THR OG1 : rot -36:sc= 0.478 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -134:sc= 0 (180deg=-0.53) USER MOD Single : A 91 TYR OH : rot 180:sc= 1.35 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.07 K(o=-0.07,f=-1.3!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0627 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 13.905 -5.788 0.185 1.00 10.00 N ATOM 2 CA TYR A 21 12.543 -6.013 -0.277 1.00 10.00 C ATOM 3 C TYR A 21 11.652 -6.477 0.867 1.00 10.00 C ATOM 4 O TYR A 21 11.933 -7.486 1.519 1.00 10.00 O ATOM 5 CB TYR A 21 12.523 -7.044 -1.405 1.00 10.00 C ATOM 6 CG TYR A 21 12.816 -6.460 -2.768 1.00 10.00 C ATOM 7 CD1 TYR A 21 11.845 -5.748 -3.463 1.00 10.00 C ATOM 8 CD2 TYR A 21 14.059 -6.625 -3.362 1.00 10.00 C ATOM 9 CE1 TYR A 21 12.107 -5.221 -4.714 1.00 10.00 C ATOM 10 CE2 TYR A 21 14.328 -6.098 -4.608 1.00 10.00 C ATOM 11 CZ TYR A 21 13.351 -5.398 -5.279 1.00 10.00 C ATOM 12 OH TYR A 21 13.618 -4.882 -6.527 1.00 10.00 O ATOM 0 HA TYR A 21 12.156 -5.067 -0.656 1.00 10.00 H new ATOM 0 HB2 TYR A 21 13.255 -7.821 -1.188 1.00 10.00 H new ATOM 0 HB3 TYR A 21 11.545 -7.525 -1.428 1.00 10.00 H new ATOM 0 HD1 TYR A 21 10.871 -5.604 -3.019 1.00 10.00 H new ATOM 0 HD2 TYR A 21 14.828 -7.175 -2.840 1.00 10.00 H new ATOM 0 HE1 TYR A 21 11.342 -4.674 -5.245 1.00 10.00 H new ATOM 0 HE2 TYR A 21 15.301 -6.234 -5.055 1.00 10.00 H new ATOM 0 HH TYR A 21 14.541 -5.095 -6.778 1.00 10.00 H new ATOM 22 N ILE A 22 10.582 -5.735 1.099 1.00 10.00 N ATOM 23 CA ILE A 22 9.635 -6.043 2.160 1.00 10.00 C ATOM 24 C ILE A 22 8.262 -6.331 1.569 1.00 10.00 C ATOM 25 O ILE A 22 7.762 -5.560 0.749 1.00 10.00 O ATOM 26 CB ILE A 22 9.523 -4.869 3.161 1.00 10.00 C ATOM 27 CG1 ILE A 22 10.863 -4.633 3.868 1.00 10.00 C ATOM 28 CG2 ILE A 22 8.419 -5.123 4.180 1.00 10.00 C ATOM 29 CD1 ILE A 22 11.309 -5.789 4.738 1.00 10.00 C ATOM 0 H ILE A 22 10.345 -4.903 0.559 1.00 10.00 H new ATOM 0 HA ILE A 22 9.999 -6.923 2.690 1.00 10.00 H new ATOM 0 HB ILE A 22 9.265 -3.971 2.599 1.00 10.00 H new ATOM 0 HG12 ILE A 22 11.629 -4.439 3.118 1.00 10.00 H new ATOM 0 HG13 ILE A 22 10.785 -3.737 4.483 1.00 10.00 H new ATOM 0 HG21 ILE A 22 8.362 -4.282 4.872 1.00 10.00 H new ATOM 0 HG22 ILE A 22 7.466 -5.234 3.663 1.00 10.00 H new ATOM 0 HG23 ILE A 22 8.639 -6.035 4.735 1.00 10.00 H new ATOM 0 HD11 ILE A 22 12.264 -5.546 5.204 1.00 10.00 H new ATOM 0 HD12 ILE A 22 10.563 -5.970 5.512 1.00 10.00 H new ATOM 0 HD13 ILE A 22 11.421 -6.684 4.125 1.00 10.00 H new ATOM 41 N LYS A 23 7.662 -7.442 1.965 1.00 10.00 N ATOM 42 CA LYS A 23 6.348 -7.807 1.466 1.00 10.00 C ATOM 43 C LYS A 23 5.259 -7.390 2.449 1.00 10.00 C ATOM 44 O LYS A 23 5.235 -7.833 3.600 1.00 10.00 O ATOM 45 CB LYS A 23 6.268 -9.310 1.210 1.00 10.00 C ATOM 46 CG LYS A 23 4.949 -9.757 0.598 1.00 10.00 C ATOM 47 CD LYS A 23 4.650 -11.211 0.917 1.00 10.00 C ATOM 48 CE LYS A 23 4.224 -11.391 2.366 1.00 10.00 C ATOM 49 NZ LYS A 23 5.315 -11.946 3.205 1.00 10.00 N ATOM 0 H LYS A 23 8.063 -8.104 2.629 1.00 10.00 H new ATOM 0 HA LYS A 23 6.189 -7.280 0.525 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.083 -9.600 0.547 1.00 10.00 H new ATOM 0 HB3 LYS A 23 6.419 -9.838 2.151 1.00 10.00 H new ATOM 0 HG2 LYS A 23 4.142 -9.128 0.973 1.00 10.00 H new ATOM 0 HG3 LYS A 23 4.984 -9.621 -0.483 1.00 10.00 H new ATOM 0 HD2 LYS A 23 3.861 -11.574 0.258 1.00 10.00 H new ATOM 0 HD3 LYS A 23 5.534 -11.817 0.719 1.00 10.00 H new ATOM 0 HE2 LYS A 23 3.908 -10.430 2.772 1.00 10.00 H new ATOM 0 HE3 LYS A 23 3.361 -12.055 2.410 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 4.910 -12.564 3.937 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 5.966 -12.496 2.609 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 5.835 -11.167 3.658 1.00 10.00 H new ATOM 63 N LEU A 24 4.366 -6.536 1.986 1.00 10.00 N ATOM 64 CA LEU A 24 3.265 -6.058 2.803 1.00 10.00 C ATOM 65 C LEU A 24 1.998 -6.828 2.458 1.00 10.00 C ATOM 66 O LEU A 24 1.660 -6.984 1.282 1.00 10.00 O ATOM 67 CB LEU A 24 3.053 -4.561 2.576 1.00 10.00 C ATOM 68 CG LEU A 24 4.305 -3.699 2.759 1.00 10.00 C ATOM 69 CD1 LEU A 24 4.124 -2.348 2.089 1.00 10.00 C ATOM 70 CD2 LEU A 24 4.622 -3.523 4.238 1.00 10.00 C ATOM 0 H LEU A 24 4.382 -6.156 1.040 1.00 10.00 H new ATOM 0 HA LEU A 24 3.503 -6.220 3.854 1.00 10.00 H new ATOM 0 HB2 LEU A 24 2.671 -4.412 1.566 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.283 -4.209 3.263 1.00 10.00 H new ATOM 0 HG LEU A 24 5.145 -4.208 2.286 1.00 10.00 H new ATOM 0 HD11 LEU A 24 5.024 -1.749 2.229 1.00 10.00 H new ATOM 0 HD12 LEU A 24 3.946 -2.491 1.023 1.00 10.00 H new ATOM 0 HD13 LEU A 24 3.272 -1.833 2.533 1.00 10.00 H new ATOM 0 HD21 LEU A 24 5.515 -2.908 4.348 1.00 10.00 H new ATOM 0 HD22 LEU A 24 3.783 -3.036 4.735 1.00 10.00 H new ATOM 0 HD23 LEU A 24 4.796 -4.499 4.691 1.00 10.00 H new ATOM 82 N LYS A 25 1.312 -7.324 3.475 1.00 10.00 N ATOM 83 CA LYS A 25 0.090 -8.081 3.267 1.00 10.00 C ATOM 84 C LYS A 25 -1.113 -7.152 3.228 1.00 10.00 C ATOM 85 O LYS A 25 -1.577 -6.666 4.263 1.00 10.00 O ATOM 86 CB LYS A 25 -0.097 -9.134 4.360 1.00 10.00 C ATOM 87 CG LYS A 25 0.909 -10.270 4.289 1.00 10.00 C ATOM 88 CD LYS A 25 0.400 -11.510 5.005 1.00 10.00 C ATOM 89 CE LYS A 25 -0.714 -12.189 4.224 1.00 10.00 C ATOM 90 NZ LYS A 25 -1.056 -13.521 4.789 1.00 10.00 N ATOM 0 H LYS A 25 1.581 -7.216 4.453 1.00 10.00 H new ATOM 0 HA LYS A 25 0.173 -8.592 2.308 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -0.020 -8.652 5.334 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -1.103 -9.546 4.287 1.00 10.00 H new ATOM 0 HG2 LYS A 25 1.116 -10.510 3.246 1.00 10.00 H new ATOM 0 HG3 LYS A 25 1.851 -9.952 4.735 1.00 10.00 H new ATOM 0 HD2 LYS A 25 1.222 -12.210 5.150 1.00 10.00 H new ATOM 0 HD3 LYS A 25 0.036 -11.236 5.995 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -1.600 -11.554 4.229 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -0.410 -12.303 3.183 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -1.638 -14.048 4.107 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -0.182 -14.051 4.981 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -1.587 -13.397 5.674 1.00 10.00 H new ATOM 104 N VAL A 26 -1.597 -6.892 2.026 1.00 10.00 N ATOM 105 CA VAL A 26 -2.751 -6.036 1.839 1.00 10.00 C ATOM 106 C VAL A 26 -4.016 -6.879 1.861 1.00 10.00 C ATOM 107 O VAL A 26 -4.215 -7.738 0.997 1.00 10.00 O ATOM 108 CB VAL A 26 -2.680 -5.258 0.510 1.00 10.00 C ATOM 109 CG1 VAL A 26 -3.715 -4.146 0.486 1.00 10.00 C ATOM 110 CG2 VAL A 26 -1.282 -4.701 0.284 1.00 10.00 C ATOM 0 H VAL A 26 -1.205 -7.265 1.161 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.763 -5.311 2.653 1.00 10.00 H new ATOM 0 HB VAL A 26 -2.903 -5.949 -0.303 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -3.649 -3.608 -0.460 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -4.712 -4.574 0.592 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -3.527 -3.457 1.309 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.256 -4.156 -0.660 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.023 -4.026 1.100 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -0.565 -5.521 0.249 1.00 10.00 H new ATOM 120 N ILE A 27 -4.846 -6.656 2.864 1.00 10.00 N ATOM 121 CA ILE A 27 -6.087 -7.401 3.008 1.00 10.00 C ATOM 122 C ILE A 27 -7.264 -6.594 2.475 1.00 10.00 C ATOM 123 O ILE A 27 -7.623 -5.558 3.038 1.00 10.00 O ATOM 124 CB ILE A 27 -6.353 -7.777 4.484 1.00 10.00 C ATOM 125 CG1 ILE A 27 -5.130 -8.479 5.090 1.00 10.00 C ATOM 126 CG2 ILE A 27 -7.592 -8.659 4.601 1.00 10.00 C ATOM 127 CD1 ILE A 27 -4.801 -9.813 4.448 1.00 10.00 C ATOM 0 H ILE A 27 -4.684 -5.963 3.594 1.00 10.00 H new ATOM 0 HA ILE A 27 -5.982 -8.318 2.428 1.00 10.00 H new ATOM 0 HB ILE A 27 -6.534 -6.859 5.043 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -4.265 -7.821 5.000 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -5.304 -8.633 6.155 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -7.761 -8.912 5.648 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -8.458 -8.123 4.213 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -7.443 -9.573 4.026 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -3.925 -10.244 4.933 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -5.648 -10.490 4.561 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.593 -9.665 3.388 1.00 10.00 H new ATOM 139 N GLY A 28 -7.850 -7.065 1.384 1.00 10.00 N ATOM 140 CA GLY A 28 -8.985 -6.380 0.801 1.00 10.00 C ATOM 141 C GLY A 28 -10.266 -6.687 1.544 1.00 10.00 C ATOM 142 O GLY A 28 -10.324 -7.649 2.317 1.00 10.00 O ATOM 0 H GLY A 28 -7.560 -7.910 0.892 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -8.806 -5.305 0.813 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -9.091 -6.674 -0.243 1.00 10.00 H new ATOM 146 N GLN A 29 -11.298 -5.887 1.303 1.00 10.00 N ATOM 147 CA GLN A 29 -12.586 -6.069 1.965 1.00 10.00 C ATOM 148 C GLN A 29 -13.239 -7.393 1.561 1.00 10.00 C ATOM 149 O GLN A 29 -14.037 -7.955 2.311 1.00 10.00 O ATOM 150 CB GLN A 29 -13.524 -4.902 1.640 1.00 10.00 C ATOM 151 CG GLN A 29 -14.830 -4.930 2.424 1.00 10.00 C ATOM 152 CD GLN A 29 -14.612 -4.855 3.925 1.00 10.00 C ATOM 153 OE1 GLN A 29 -14.580 -3.772 4.505 1.00 10.00 O ATOM 154 NE2 GLN A 29 -14.454 -6.006 4.563 1.00 10.00 N ATOM 0 H GLN A 29 -11.268 -5.103 0.651 1.00 10.00 H new ATOM 0 HA GLN A 29 -12.405 -6.094 3.040 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -13.007 -3.964 1.845 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -13.750 -4.915 0.574 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -15.456 -4.095 2.109 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -15.374 -5.844 2.185 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -14.487 -6.885 4.046 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -14.299 -6.013 5.571 1.00 10.00 H new ATOM 163 N ASP A 30 -12.884 -7.896 0.387 1.00 10.00 N ATOM 164 CA ASP A 30 -13.443 -9.153 -0.105 1.00 10.00 C ATOM 165 C ASP A 30 -12.556 -10.336 0.290 1.00 10.00 C ATOM 166 O ASP A 30 -12.571 -11.386 -0.359 1.00 10.00 O ATOM 167 CB ASP A 30 -13.636 -9.104 -1.628 1.00 10.00 C ATOM 168 CG ASP A 30 -12.334 -9.129 -2.402 1.00 10.00 C ATOM 169 OD1 ASP A 30 -11.428 -8.340 -2.074 1.00 10.00 O ATOM 170 OD2 ASP A 30 -12.219 -9.933 -3.352 1.00 10.00 O ATOM 0 H ASP A 30 -12.213 -7.456 -0.243 1.00 10.00 H new ATOM 0 HA ASP A 30 -14.420 -9.292 0.358 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -14.249 -9.951 -1.936 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -14.187 -8.200 -1.888 1.00 10.00 H new ATOM 175 N SER A 31 -11.789 -10.147 1.365 1.00 10.00 N ATOM 176 CA SER A 31 -10.896 -11.177 1.900 1.00 10.00 C ATOM 177 C SER A 31 -9.810 -11.571 0.896 1.00 10.00 C ATOM 178 O SER A 31 -9.480 -12.749 0.749 1.00 10.00 O ATOM 179 CB SER A 31 -11.706 -12.408 2.326 1.00 10.00 C ATOM 180 OG SER A 31 -12.870 -12.027 3.043 1.00 10.00 O ATOM 0 H SER A 31 -11.769 -9.273 1.891 1.00 10.00 H new ATOM 0 HA SER A 31 -10.394 -10.759 2.772 1.00 10.00 H new ATOM 0 HB2 SER A 31 -11.989 -12.984 1.445 1.00 10.00 H new ATOM 0 HB3 SER A 31 -11.088 -13.057 2.947 1.00 10.00 H new ATOM 0 HG SER A 31 -13.371 -12.828 3.303 1.00 10.00 H new ATOM 186 N SER A 32 -9.255 -10.581 0.216 1.00 10.00 N ATOM 187 CA SER A 32 -8.206 -10.820 -0.761 1.00 10.00 C ATOM 188 C SER A 32 -6.832 -10.700 -0.105 1.00 10.00 C ATOM 189 O SER A 32 -6.600 -9.797 0.705 1.00 10.00 O ATOM 190 CB SER A 32 -8.335 -9.812 -1.902 1.00 10.00 C ATOM 191 OG SER A 32 -8.939 -8.611 -1.445 1.00 10.00 O ATOM 0 H SER A 32 -9.515 -9.601 0.324 1.00 10.00 H new ATOM 0 HA SER A 32 -8.310 -11.830 -1.158 1.00 10.00 H new ATOM 0 HB2 SER A 32 -7.350 -9.595 -2.315 1.00 10.00 H new ATOM 0 HB3 SER A 32 -8.931 -10.241 -2.707 1.00 10.00 H new ATOM 0 HG SER A 32 -9.914 -8.690 -1.510 1.00 10.00 H new ATOM 197 N GLU A 33 -5.935 -11.617 -0.444 1.00 10.00 N ATOM 198 CA GLU A 33 -4.585 -11.609 0.100 1.00 10.00 C ATOM 199 C GLU A 33 -3.602 -11.140 -0.964 1.00 10.00 C ATOM 200 O GLU A 33 -3.053 -11.943 -1.722 1.00 10.00 O ATOM 201 CB GLU A 33 -4.183 -12.996 0.609 1.00 10.00 C ATOM 202 CG GLU A 33 -4.766 -13.343 1.970 1.00 10.00 C ATOM 203 CD GLU A 33 -4.145 -14.590 2.565 1.00 10.00 C ATOM 204 OE1 GLU A 33 -3.211 -14.465 3.390 1.00 10.00 O ATOM 205 OE2 GLU A 33 -4.579 -15.706 2.206 1.00 10.00 O ATOM 0 H GLU A 33 -6.120 -12.379 -1.096 1.00 10.00 H new ATOM 0 HA GLU A 33 -4.563 -10.920 0.945 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -4.503 -13.745 -0.115 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -3.096 -13.051 0.665 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -4.615 -12.505 2.651 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -5.842 -13.487 1.875 1.00 10.00 H new ATOM 212 N ILE A 34 -3.405 -9.834 -1.036 1.00 10.00 N ATOM 213 CA ILE A 34 -2.492 -9.260 -2.009 1.00 10.00 C ATOM 214 C ILE A 34 -1.109 -9.084 -1.395 1.00 10.00 C ATOM 215 O ILE A 34 -0.974 -8.583 -0.277 1.00 10.00 O ATOM 216 CB ILE A 34 -3.008 -7.900 -2.536 1.00 10.00 C ATOM 217 CG1 ILE A 34 -4.433 -8.038 -3.090 1.00 10.00 C ATOM 218 CG2 ILE A 34 -2.076 -7.335 -3.602 1.00 10.00 C ATOM 219 CD1 ILE A 34 -4.571 -9.061 -4.202 1.00 10.00 C ATOM 0 H ILE A 34 -3.865 -9.152 -0.433 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.430 -9.949 -2.851 1.00 10.00 H new ATOM 0 HB ILE A 34 -3.027 -7.203 -1.698 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -5.103 -8.311 -2.275 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -4.762 -7.067 -3.461 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -2.463 -6.379 -3.954 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -1.083 -7.190 -3.177 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -2.015 -8.032 -4.438 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -5.608 -9.097 -4.537 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -3.929 -8.780 -5.037 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -4.275 -10.043 -3.832 1.00 10.00 H new ATOM 231 N HIS A 35 -0.091 -9.516 -2.121 1.00 10.00 N ATOM 232 CA HIS A 35 1.281 -9.410 -1.659 1.00 10.00 C ATOM 233 C HIS A 35 1.994 -8.283 -2.391 1.00 10.00 C ATOM 234 O HIS A 35 2.441 -8.453 -3.530 1.00 10.00 O ATOM 235 CB HIS A 35 2.039 -10.721 -1.887 1.00 10.00 C ATOM 236 CG HIS A 35 1.362 -11.938 -1.339 1.00 10.00 C ATOM 237 ND1 HIS A 35 1.242 -13.083 -2.091 1.00 10.00 N ATOM 238 CD2 HIS A 35 0.794 -12.143 -0.125 1.00 10.00 C ATOM 239 CE1 HIS A 35 0.611 -13.956 -1.322 1.00 10.00 C ATOM 240 NE2 HIS A 35 0.324 -13.429 -0.125 1.00 10.00 N ATOM 0 H HIS A 35 -0.192 -9.947 -3.040 1.00 10.00 H new ATOM 0 HA HIS A 35 1.260 -9.198 -0.590 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.189 -10.857 -2.958 1.00 10.00 H new ATOM 0 HB3 HIS A 35 3.027 -10.637 -1.435 1.00 10.00 H new ATOM 0 HD1 HIS A 35 1.571 -13.229 -3.045 1.00 10.00 H new ATOM 0 HD2 HIS A 35 0.726 -11.431 0.684 1.00 10.00 H new ATOM 0 HE1 HIS A 35 0.360 -14.963 -1.621 1.00 10.00 H new ATOM 248 N PHE A 36 2.086 -7.135 -1.750 1.00 10.00 N ATOM 249 CA PHE A 36 2.752 -5.991 -2.343 1.00 10.00 C ATOM 250 C PHE A 36 4.176 -5.910 -1.809 1.00 10.00 C ATOM 251 O PHE A 36 4.390 -5.651 -0.627 1.00 10.00 O ATOM 252 CB PHE A 36 1.974 -4.706 -2.032 1.00 10.00 C ATOM 253 CG PHE A 36 1.969 -3.705 -3.149 1.00 10.00 C ATOM 254 CD1 PHE A 36 3.102 -3.486 -3.908 1.00 10.00 C ATOM 255 CD2 PHE A 36 0.820 -2.986 -3.441 1.00 10.00 C ATOM 256 CE1 PHE A 36 3.093 -2.568 -4.941 1.00 10.00 C ATOM 257 CE2 PHE A 36 0.804 -2.065 -4.472 1.00 10.00 C ATOM 258 CZ PHE A 36 1.943 -1.855 -5.223 1.00 10.00 C ATOM 0 H PHE A 36 1.708 -6.969 -0.817 1.00 10.00 H new ATOM 0 HA PHE A 36 2.787 -6.106 -3.426 1.00 10.00 H new ATOM 0 HB2 PHE A 36 0.944 -4.968 -1.789 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.403 -4.241 -1.144 1.00 10.00 H new ATOM 0 HD1 PHE A 36 4.005 -4.038 -3.692 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -0.073 -3.147 -2.856 1.00 10.00 H new ATOM 0 HE1 PHE A 36 3.985 -2.408 -5.528 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -0.097 -1.511 -4.689 1.00 10.00 H new ATOM 0 HZ PHE A 36 1.936 -1.136 -6.029 1.00 10.00 H new ATOM 268 N LYS A 37 5.146 -6.161 -2.674 1.00 10.00 N ATOM 269 CA LYS A 37 6.542 -6.132 -2.270 1.00 10.00 C ATOM 270 C LYS A 37 7.172 -4.789 -2.620 1.00 10.00 C ATOM 271 O LYS A 37 7.193 -4.382 -3.783 1.00 10.00 O ATOM 272 CB LYS A 37 7.312 -7.284 -2.923 1.00 10.00 C ATOM 273 CG LYS A 37 8.671 -7.542 -2.289 1.00 10.00 C ATOM 274 CD LYS A 37 9.251 -8.888 -2.705 1.00 10.00 C ATOM 275 CE LYS A 37 8.529 -10.042 -2.027 1.00 10.00 C ATOM 276 NZ LYS A 37 9.359 -11.270 -1.986 1.00 10.00 N ATOM 0 H LYS A 37 4.993 -6.386 -3.657 1.00 10.00 H new ATOM 0 HA LYS A 37 6.593 -6.258 -1.189 1.00 10.00 H new ATOM 0 HB2 LYS A 37 6.713 -8.192 -2.861 1.00 10.00 H new ATOM 0 HB3 LYS A 37 7.450 -7.065 -3.982 1.00 10.00 H new ATOM 0 HG2 LYS A 37 9.360 -6.747 -2.574 1.00 10.00 H new ATOM 0 HG3 LYS A 37 8.577 -7.508 -1.204 1.00 10.00 H new ATOM 0 HD2 LYS A 37 9.178 -8.998 -3.787 1.00 10.00 H new ATOM 0 HD3 LYS A 37 10.311 -8.922 -2.452 1.00 10.00 H new ATOM 0 HE2 LYS A 37 8.258 -9.753 -1.011 1.00 10.00 H new ATOM 0 HE3 LYS A 37 7.600 -10.250 -2.558 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 8.829 -12.032 -1.516 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 9.596 -11.561 -2.956 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 10.234 -11.080 -1.457 1.00 10.00 H new ATOM 290 N VAL A 38 7.674 -4.106 -1.602 1.00 10.00 N ATOM 291 CA VAL A 38 8.292 -2.804 -1.782 1.00 10.00 C ATOM 292 C VAL A 38 9.790 -2.866 -1.523 1.00 10.00 C ATOM 293 O VAL A 38 10.286 -3.788 -0.871 1.00 10.00 O ATOM 294 CB VAL A 38 7.659 -1.739 -0.855 1.00 10.00 C ATOM 295 CG1 VAL A 38 6.173 -1.596 -1.145 1.00 10.00 C ATOM 296 CG2 VAL A 38 7.892 -2.078 0.613 1.00 10.00 C ATOM 0 H VAL A 38 7.664 -4.436 -0.637 1.00 10.00 H new ATOM 0 HA VAL A 38 8.118 -2.515 -2.819 1.00 10.00 H new ATOM 0 HB VAL A 38 8.144 -0.784 -1.057 1.00 10.00 H new ATOM 0 HG11 VAL A 38 5.744 -0.843 -0.484 1.00 10.00 H new ATOM 0 HG12 VAL A 38 6.032 -1.291 -2.182 1.00 10.00 H new ATOM 0 HG13 VAL A 38 5.676 -2.551 -0.977 1.00 10.00 H new ATOM 0 HG21 VAL A 38 7.436 -1.312 1.240 1.00 10.00 H new ATOM 0 HG22 VAL A 38 7.444 -3.046 0.839 1.00 10.00 H new ATOM 0 HG23 VAL A 38 8.963 -2.119 0.811 1.00 10.00 H new ATOM 306 N LYS A 39 10.500 -1.882 -2.045 1.00 10.00 N ATOM 307 CA LYS A 39 11.938 -1.787 -1.881 1.00 10.00 C ATOM 308 C LYS A 39 12.254 -0.582 -0.999 1.00 10.00 C ATOM 309 O LYS A 39 11.468 0.364 -0.945 1.00 10.00 O ATOM 310 CB LYS A 39 12.590 -1.651 -3.263 1.00 10.00 C ATOM 311 CG LYS A 39 14.100 -1.478 -3.242 1.00 10.00 C ATOM 312 CD LYS A 39 14.653 -1.381 -4.652 1.00 10.00 C ATOM 313 CE LYS A 39 15.932 -0.563 -4.710 1.00 10.00 C ATOM 314 NZ LYS A 39 16.222 -0.085 -6.089 1.00 10.00 N ATOM 0 H LYS A 39 10.094 -1.125 -2.595 1.00 10.00 H new ATOM 0 HA LYS A 39 12.334 -2.682 -1.401 1.00 10.00 H new ATOM 0 HB2 LYS A 39 12.348 -2.536 -3.852 1.00 10.00 H new ATOM 0 HB3 LYS A 39 12.148 -0.797 -3.775 1.00 10.00 H new ATOM 0 HG2 LYS A 39 14.359 -0.579 -2.683 1.00 10.00 H new ATOM 0 HG3 LYS A 39 14.559 -2.320 -2.724 1.00 10.00 H new ATOM 0 HD2 LYS A 39 14.847 -2.383 -5.035 1.00 10.00 H new ATOM 0 HD3 LYS A 39 13.905 -0.930 -5.304 1.00 10.00 H new ATOM 0 HE2 LYS A 39 15.847 0.292 -4.040 1.00 10.00 H new ATOM 0 HE3 LYS A 39 16.766 -1.167 -4.352 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 17.102 0.469 -6.086 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 16.329 -0.902 -6.724 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 15.438 0.512 -6.421 1.00 10.00 H new ATOM 328 N MET A 40 13.377 -0.609 -0.292 1.00 10.00 N ATOM 329 CA MET A 40 13.741 0.509 0.574 1.00 10.00 C ATOM 330 C MET A 40 14.281 1.674 -0.256 1.00 10.00 C ATOM 331 O MET A 40 15.472 1.988 -0.226 1.00 10.00 O ATOM 332 CB MET A 40 14.757 0.074 1.631 1.00 10.00 C ATOM 333 CG MET A 40 14.978 1.113 2.720 1.00 10.00 C ATOM 334 SD MET A 40 13.437 1.723 3.440 1.00 10.00 S ATOM 335 CE MET A 40 12.903 0.295 4.384 1.00 10.00 C ATOM 0 H MET A 40 14.044 -1.381 -0.299 1.00 10.00 H new ATOM 0 HA MET A 40 12.844 0.845 1.093 1.00 10.00 H new ATOM 0 HB2 MET A 40 14.418 -0.855 2.089 1.00 10.00 H new ATOM 0 HB3 MET A 40 15.709 -0.139 1.144 1.00 10.00 H new ATOM 0 HG2 MET A 40 15.594 0.679 3.508 1.00 10.00 H new ATOM 0 HG3 MET A 40 15.536 1.953 2.305 1.00 10.00 H new ATOM 0 HE1 MET A 40 11.962 0.521 4.885 1.00 10.00 H new ATOM 0 HE2 MET A 40 12.762 -0.553 3.713 1.00 10.00 H new ATOM 0 HE3 MET A 40 13.660 0.047 5.128 1.00 10.00 H new ATOM 345 N THR A 41 13.381 2.289 -1.007 1.00 10.00 N ATOM 346 CA THR A 41 13.698 3.418 -1.869 1.00 10.00 C ATOM 347 C THR A 41 12.421 3.894 -2.534 1.00 10.00 C ATOM 348 O THR A 41 12.261 5.077 -2.840 1.00 10.00 O ATOM 349 CB THR A 41 14.729 3.043 -2.969 1.00 10.00 C ATOM 350 OG1 THR A 41 15.452 4.208 -3.387 1.00 10.00 O ATOM 351 CG2 THR A 41 14.058 2.401 -4.190 1.00 10.00 C ATOM 0 H THR A 41 12.399 2.016 -1.036 1.00 10.00 H new ATOM 0 HA THR A 41 14.139 4.201 -1.252 1.00 10.00 H new ATOM 0 HB THR A 41 15.413 2.314 -2.534 1.00 10.00 H new ATOM 0 HG1 THR A 41 16.100 3.960 -4.079 1.00 10.00 H new ATOM 0 HG21 THR A 41 14.816 2.155 -4.934 1.00 10.00 H new ATOM 0 HG22 THR A 41 13.540 1.492 -3.885 1.00 10.00 H new ATOM 0 HG23 THR A 41 13.341 3.100 -4.620 1.00 10.00 H new ATOM 359 N THR A 42 11.515 2.940 -2.736 1.00 10.00 N ATOM 360 CA THR A 42 10.250 3.192 -3.380 1.00 10.00 C ATOM 361 C THR A 42 9.410 4.194 -2.614 1.00 10.00 C ATOM 362 O THR A 42 8.878 3.890 -1.542 1.00 10.00 O ATOM 363 CB THR A 42 9.467 1.884 -3.557 1.00 10.00 C ATOM 364 OG1 THR A 42 10.380 0.777 -3.655 1.00 10.00 O ATOM 365 CG2 THR A 42 8.614 1.947 -4.804 1.00 10.00 C ATOM 0 H THR A 42 11.649 1.969 -2.452 1.00 10.00 H new ATOM 0 HA THR A 42 10.469 3.620 -4.358 1.00 10.00 H new ATOM 0 HB THR A 42 8.820 1.746 -2.691 1.00 10.00 H new ATOM 0 HG1 THR A 42 9.984 0.075 -4.213 1.00 10.00 H new ATOM 0 HG21 THR A 42 8.064 1.012 -4.917 1.00 10.00 H new ATOM 0 HG22 THR A 42 7.909 2.775 -4.721 1.00 10.00 H new ATOM 0 HG23 THR A 42 9.252 2.100 -5.674 1.00 10.00 H new ATOM 373 N HIS A 43 9.325 5.402 -3.161 1.00 10.00 N ATOM 374 CA HIS A 43 8.527 6.452 -2.557 1.00 10.00 C ATOM 375 C HIS A 43 7.073 5.976 -2.494 1.00 10.00 C ATOM 376 O HIS A 43 6.517 5.529 -3.502 1.00 10.00 O ATOM 377 CB HIS A 43 8.606 7.765 -3.359 1.00 10.00 C ATOM 378 CG HIS A 43 9.994 8.261 -3.723 1.00 10.00 C ATOM 379 ND1 HIS A 43 10.151 9.249 -4.673 1.00 10.00 N ATOM 380 CD2 HIS A 43 11.234 7.917 -3.252 1.00 10.00 C ATOM 381 CE1 HIS A 43 11.450 9.483 -4.750 1.00 10.00 C ATOM 382 NE2 HIS A 43 12.133 8.703 -3.913 1.00 10.00 N ATOM 0 H HIS A 43 9.800 5.674 -4.021 1.00 10.00 H new ATOM 0 HA HIS A 43 8.915 6.655 -1.559 1.00 10.00 H new ATOM 0 HB2 HIS A 43 8.039 7.635 -4.281 1.00 10.00 H new ATOM 0 HB3 HIS A 43 8.106 8.545 -2.785 1.00 10.00 H new ATOM 0 HD2 HIS A 43 11.456 7.170 -2.504 1.00 10.00 H new ATOM 0 HE1 HIS A 43 11.900 10.213 -5.407 1.00 10.00 H new ATOM 0 HE2 HIS A 43 13.145 8.695 -3.789 1.00 10.00 H new ATOM 390 N LEU A 44 6.454 6.079 -1.324 1.00 10.00 N ATOM 391 CA LEU A 44 5.075 5.625 -1.141 1.00 10.00 C ATOM 392 C LEU A 44 4.075 6.429 -1.977 1.00 10.00 C ATOM 393 O LEU A 44 2.907 6.051 -2.082 1.00 10.00 O ATOM 394 CB LEU A 44 4.683 5.668 0.337 1.00 10.00 C ATOM 395 CG LEU A 44 5.400 4.649 1.230 1.00 10.00 C ATOM 396 CD1 LEU A 44 4.771 4.613 2.613 1.00 10.00 C ATOM 397 CD2 LEU A 44 5.367 3.266 0.599 1.00 10.00 C ATOM 0 H LEU A 44 6.882 6.472 -0.486 1.00 10.00 H new ATOM 0 HA LEU A 44 5.035 4.594 -1.493 1.00 10.00 H new ATOM 0 HB2 LEU A 44 4.883 6.668 0.721 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.608 5.505 0.417 1.00 10.00 H new ATOM 0 HG LEU A 44 6.440 4.958 1.331 1.00 10.00 H new ATOM 0 HD11 LEU A 44 5.294 3.884 3.232 1.00 10.00 H new ATOM 0 HD12 LEU A 44 4.846 5.599 3.072 1.00 10.00 H new ATOM 0 HD13 LEU A 44 3.722 4.331 2.528 1.00 10.00 H new ATOM 0 HD21 LEU A 44 5.881 2.557 1.248 1.00 10.00 H new ATOM 0 HD22 LEU A 44 4.332 2.951 0.466 1.00 10.00 H new ATOM 0 HD23 LEU A 44 5.864 3.296 -0.370 1.00 10.00 H new ATOM 409 N LYS A 45 4.532 7.527 -2.571 1.00 10.00 N ATOM 410 CA LYS A 45 3.676 8.355 -3.414 1.00 10.00 C ATOM 411 C LYS A 45 3.165 7.538 -4.597 1.00 10.00 C ATOM 412 O LYS A 45 1.977 7.571 -4.928 1.00 10.00 O ATOM 413 CB LYS A 45 4.450 9.581 -3.912 1.00 10.00 C ATOM 414 CG LYS A 45 3.693 10.422 -4.930 1.00 10.00 C ATOM 415 CD LYS A 45 2.508 11.136 -4.300 1.00 10.00 C ATOM 416 CE LYS A 45 1.616 11.770 -5.352 1.00 10.00 C ATOM 417 NZ LYS A 45 0.587 12.653 -4.747 1.00 10.00 N ATOM 0 H LYS A 45 5.491 7.864 -2.484 1.00 10.00 H new ATOM 0 HA LYS A 45 2.824 8.696 -2.826 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.706 10.207 -3.058 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.388 9.249 -4.357 1.00 10.00 H new ATOM 0 HG2 LYS A 45 4.368 11.156 -5.370 1.00 10.00 H new ATOM 0 HG3 LYS A 45 3.344 9.784 -5.742 1.00 10.00 H new ATOM 0 HD2 LYS A 45 1.928 10.428 -3.709 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.867 11.904 -3.615 1.00 10.00 H new ATOM 0 HE2 LYS A 45 2.227 12.347 -6.046 1.00 10.00 H new ATOM 0 HE3 LYS A 45 1.127 10.988 -5.933 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -0.280 12.619 -5.320 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 0.377 12.330 -3.781 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 0.943 13.630 -4.716 1.00 10.00 H new ATOM 431 N LYS A 46 4.071 6.783 -5.209 1.00 10.00 N ATOM 432 CA LYS A 46 3.731 5.948 -6.349 1.00 10.00 C ATOM 433 C LYS A 46 2.974 4.704 -5.890 1.00 10.00 C ATOM 434 O LYS A 46 2.185 4.133 -6.641 1.00 10.00 O ATOM 435 CB LYS A 46 5.002 5.558 -7.108 1.00 10.00 C ATOM 436 CG LYS A 46 4.745 4.896 -8.456 1.00 10.00 C ATOM 437 CD LYS A 46 5.937 5.049 -9.391 1.00 10.00 C ATOM 438 CE LYS A 46 5.847 6.335 -10.189 1.00 10.00 C ATOM 439 NZ LYS A 46 6.366 7.503 -9.428 1.00 10.00 N ATOM 0 H LYS A 46 5.051 6.734 -4.931 1.00 10.00 H new ATOM 0 HA LYS A 46 3.083 6.512 -7.020 1.00 10.00 H new ATOM 0 HB2 LYS A 46 5.607 6.451 -7.264 1.00 10.00 H new ATOM 0 HB3 LYS A 46 5.588 4.879 -6.488 1.00 10.00 H new ATOM 0 HG2 LYS A 46 4.532 3.837 -8.308 1.00 10.00 H new ATOM 0 HG3 LYS A 46 3.861 5.338 -8.917 1.00 10.00 H new ATOM 0 HD2 LYS A 46 6.860 5.041 -8.812 1.00 10.00 H new ATOM 0 HD3 LYS A 46 5.981 4.198 -10.071 1.00 10.00 H new ATOM 0 HE2 LYS A 46 6.411 6.227 -11.115 1.00 10.00 H new ATOM 0 HE3 LYS A 46 4.809 6.517 -10.467 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 6.714 8.223 -10.092 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 5.603 7.907 -8.849 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 7.144 7.197 -8.810 1.00 10.00 H new ATOM 453 N LEU A 47 3.210 4.301 -4.646 1.00 10.00 N ATOM 454 CA LEU A 47 2.556 3.124 -4.075 1.00 10.00 C ATOM 455 C LEU A 47 1.040 3.285 -4.050 1.00 10.00 C ATOM 456 O LEU A 47 0.298 2.367 -4.407 1.00 10.00 O ATOM 457 CB LEU A 47 3.047 2.878 -2.643 1.00 10.00 C ATOM 458 CG LEU A 47 4.103 1.785 -2.473 1.00 10.00 C ATOM 459 CD1 LEU A 47 3.580 0.452 -2.979 1.00 10.00 C ATOM 460 CD2 LEU A 47 5.391 2.164 -3.184 1.00 10.00 C ATOM 0 H LEU A 47 3.852 4.773 -4.009 1.00 10.00 H new ATOM 0 HA LEU A 47 2.813 2.275 -4.709 1.00 10.00 H new ATOM 0 HB2 LEU A 47 3.454 3.812 -2.255 1.00 10.00 H new ATOM 0 HB3 LEU A 47 2.187 2.623 -2.024 1.00 10.00 H new ATOM 0 HG LEU A 47 4.321 1.684 -1.410 1.00 10.00 H new ATOM 0 HD11 LEU A 47 4.346 -0.312 -2.849 1.00 10.00 H new ATOM 0 HD12 LEU A 47 2.690 0.173 -2.415 1.00 10.00 H new ATOM 0 HD13 LEU A 47 3.328 0.538 -4.036 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.128 1.372 -3.049 1.00 10.00 H new ATOM 0 HD22 LEU A 47 5.193 2.299 -4.247 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.777 3.094 -2.766 1.00 10.00 H new ATOM 472 N LYS A 48 0.595 4.459 -3.631 1.00 10.00 N ATOM 473 CA LYS A 48 -0.827 4.752 -3.521 1.00 10.00 C ATOM 474 C LYS A 48 -1.538 4.691 -4.873 1.00 10.00 C ATOM 475 O LYS A 48 -2.587 4.056 -4.998 1.00 10.00 O ATOM 476 CB LYS A 48 -1.027 6.125 -2.872 1.00 10.00 C ATOM 477 CG LYS A 48 -0.334 6.256 -1.525 1.00 10.00 C ATOM 478 CD LYS A 48 -0.652 7.583 -0.846 1.00 10.00 C ATOM 479 CE LYS A 48 -2.053 7.592 -0.258 1.00 10.00 C ATOM 480 NZ LYS A 48 -2.327 8.834 0.515 1.00 10.00 N ATOM 0 H LYS A 48 1.203 5.231 -3.359 1.00 10.00 H new ATOM 0 HA LYS A 48 -1.274 3.983 -2.891 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -0.650 6.896 -3.544 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -2.094 6.308 -2.744 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -0.642 5.435 -0.878 1.00 10.00 H new ATOM 0 HG3 LYS A 48 0.744 6.168 -1.662 1.00 10.00 H new ATOM 0 HD2 LYS A 48 0.075 7.771 -0.056 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -0.555 8.394 -1.568 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -2.784 7.497 -1.061 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -2.179 6.726 0.392 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -3.344 9.048 0.479 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -2.037 8.698 1.504 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -1.792 9.625 0.103 1.00 10.00 H new ATOM 494 N GLU A 49 -0.960 5.321 -5.889 1.00 10.00 N ATOM 495 CA GLU A 49 -1.579 5.342 -7.211 1.00 10.00 C ATOM 496 C GLU A 49 -1.484 3.989 -7.914 1.00 10.00 C ATOM 497 O GLU A 49 -2.451 3.545 -8.530 1.00 10.00 O ATOM 498 CB GLU A 49 -0.970 6.444 -8.086 1.00 10.00 C ATOM 499 CG GLU A 49 0.549 6.438 -8.132 1.00 10.00 C ATOM 500 CD GLU A 49 1.108 7.483 -9.074 1.00 10.00 C ATOM 501 OE1 GLU A 49 0.335 8.044 -9.879 1.00 10.00 O ATOM 502 OE2 GLU A 49 2.324 7.747 -9.019 1.00 10.00 O ATOM 0 H GLU A 49 -0.073 5.820 -5.826 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.637 5.559 -7.061 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -1.353 6.339 -9.101 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -1.307 7.413 -7.717 1.00 10.00 H new ATOM 0 HG2 GLU A 49 0.940 6.612 -7.129 1.00 10.00 H new ATOM 0 HG3 GLU A 49 0.895 5.452 -8.442 1.00 10.00 H new ATOM 509 N SER A 50 -0.338 3.323 -7.800 1.00 10.00 N ATOM 510 CA SER A 50 -0.145 2.027 -8.449 1.00 10.00 C ATOM 511 C SER A 50 -1.141 0.986 -7.940 1.00 10.00 C ATOM 512 O SER A 50 -1.583 0.116 -8.695 1.00 10.00 O ATOM 513 CB SER A 50 1.286 1.541 -8.245 1.00 10.00 C ATOM 514 OG SER A 50 2.214 2.493 -8.740 1.00 10.00 O ATOM 0 H SER A 50 0.467 3.655 -7.268 1.00 10.00 H new ATOM 0 HA SER A 50 -0.326 2.160 -9.516 1.00 10.00 H new ATOM 0 HB2 SER A 50 1.468 1.365 -7.185 1.00 10.00 H new ATOM 0 HB3 SER A 50 1.428 0.588 -8.755 1.00 10.00 H new ATOM 0 HG SER A 50 2.483 3.095 -8.015 1.00 10.00 H new ATOM 520 N TYR A 51 -1.499 1.076 -6.662 1.00 10.00 N ATOM 521 CA TYR A 51 -2.457 0.143 -6.085 1.00 10.00 C ATOM 522 C TYR A 51 -3.840 0.387 -6.678 1.00 10.00 C ATOM 523 O TYR A 51 -4.601 -0.552 -6.923 1.00 10.00 O ATOM 524 CB TYR A 51 -2.505 0.268 -4.559 1.00 10.00 C ATOM 525 CG TYR A 51 -3.403 -0.758 -3.901 1.00 10.00 C ATOM 526 CD1 TYR A 51 -3.032 -2.096 -3.836 1.00 10.00 C ATOM 527 CD2 TYR A 51 -4.628 -0.390 -3.361 1.00 10.00 C ATOM 528 CE1 TYR A 51 -3.856 -3.036 -3.247 1.00 10.00 C ATOM 529 CE2 TYR A 51 -5.455 -1.325 -2.768 1.00 10.00 C ATOM 530 CZ TYR A 51 -5.067 -2.645 -2.718 1.00 10.00 C ATOM 531 OH TYR A 51 -5.891 -3.579 -2.134 1.00 10.00 O ATOM 0 H TYR A 51 -1.143 1.778 -6.013 1.00 10.00 H new ATOM 0 HA TYR A 51 -2.135 -0.870 -6.327 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -1.495 0.165 -4.161 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -2.852 1.267 -4.294 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -2.085 -2.406 -4.252 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -4.939 0.643 -3.405 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -3.553 -4.072 -3.201 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -6.402 -1.022 -2.346 1.00 10.00 H new ATOM 0 HH TYR A 51 -6.705 -3.140 -1.810 1.00 10.00 H new ATOM 541 N CYS A 52 -4.145 1.654 -6.930 1.00 10.00 N ATOM 542 CA CYS A 52 -5.426 2.035 -7.507 1.00 10.00 C ATOM 543 C CYS A 52 -5.542 1.495 -8.927 1.00 10.00 C ATOM 544 O CYS A 52 -6.624 1.111 -9.369 1.00 10.00 O ATOM 545 CB CYS A 52 -5.584 3.556 -7.500 1.00 10.00 C ATOM 546 SG CYS A 52 -5.416 4.296 -5.860 1.00 10.00 S ATOM 0 H CYS A 52 -3.519 2.437 -6.743 1.00 10.00 H new ATOM 0 HA CYS A 52 -6.224 1.604 -6.902 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -4.838 3.993 -8.164 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -6.562 3.813 -7.906 1.00 10.00 H new ATOM 0 HG CYS A 52 -4.162 4.313 -5.518 1.00 10.00 H new ATOM 552 N GLN A 53 -4.413 1.457 -9.627 1.00 10.00 N ATOM 553 CA GLN A 53 -4.367 0.950 -10.991 1.00 10.00 C ATOM 554 C GLN A 53 -4.718 -0.534 -11.019 1.00 10.00 C ATOM 555 O GLN A 53 -5.418 -1.003 -11.916 1.00 10.00 O ATOM 556 CB GLN A 53 -2.976 1.157 -11.586 1.00 10.00 C ATOM 557 CG GLN A 53 -2.528 2.608 -11.604 1.00 10.00 C ATOM 558 CD GLN A 53 -1.058 2.751 -11.937 1.00 10.00 C ATOM 559 OE1 GLN A 53 -0.251 1.878 -11.617 1.00 10.00 O ATOM 560 NE2 GLN A 53 -0.699 3.849 -12.578 1.00 10.00 N ATOM 0 H GLN A 53 -3.513 1.774 -9.268 1.00 10.00 H new ATOM 0 HA GLN A 53 -5.097 1.500 -11.585 1.00 10.00 H new ATOM 0 HB2 GLN A 53 -2.256 0.571 -11.015 1.00 10.00 H new ATOM 0 HB3 GLN A 53 -2.965 0.770 -12.605 1.00 10.00 H new ATOM 0 HG2 GLN A 53 -3.119 3.160 -12.335 1.00 10.00 H new ATOM 0 HG3 GLN A 53 -2.723 3.058 -10.631 1.00 10.00 H new ATOM 0 HE21 GLN A 53 -1.400 4.548 -12.825 1.00 10.00 H new ATOM 0 HE22 GLN A 53 0.279 3.998 -12.826 1.00 10.00 H new ATOM 569 N ARG A 54 -4.232 -1.259 -10.018 1.00 10.00 N ATOM 570 CA ARG A 54 -4.480 -2.693 -9.907 1.00 10.00 C ATOM 571 C ARG A 54 -5.956 -2.966 -9.632 1.00 10.00 C ATOM 572 O ARG A 54 -6.511 -3.962 -10.090 1.00 10.00 O ATOM 573 CB ARG A 54 -3.620 -3.284 -8.783 1.00 10.00 C ATOM 574 CG ARG A 54 -3.518 -4.801 -8.808 1.00 10.00 C ATOM 575 CD ARG A 54 -2.670 -5.289 -9.973 1.00 10.00 C ATOM 576 NE ARG A 54 -2.320 -6.704 -9.840 1.00 10.00 N ATOM 577 CZ ARG A 54 -1.776 -7.437 -10.813 1.00 10.00 C ATOM 578 NH1 ARG A 54 -1.514 -6.898 -11.996 1.00 10.00 N ATOM 579 NH2 ARG A 54 -1.498 -8.715 -10.604 1.00 10.00 N ATOM 0 H ARG A 54 -3.660 -0.874 -9.266 1.00 10.00 H new ATOM 0 HA ARG A 54 -4.213 -3.165 -10.852 1.00 10.00 H new ATOM 0 HB2 ARG A 54 -2.617 -2.863 -8.848 1.00 10.00 H new ATOM 0 HB3 ARG A 54 -4.034 -2.975 -7.823 1.00 10.00 H new ATOM 0 HG2 ARG A 54 -3.086 -5.152 -7.871 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -4.517 -5.232 -8.879 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -3.213 -5.136 -10.906 1.00 10.00 H new ATOM 0 HD3 ARG A 54 -1.759 -4.694 -10.033 1.00 10.00 H new ATOM 0 HE ARG A 54 -2.504 -7.159 -8.946 1.00 10.00 H new ATOM 0 HH11 ARG A 54 -1.728 -5.916 -12.168 1.00 10.00 H new ATOM 0 HH12 ARG A 54 -1.098 -7.466 -12.734 1.00 10.00 H new ATOM 0 HH21 ARG A 54 -1.700 -9.139 -9.699 1.00 10.00 H new ATOM 0 HH22 ARG A 54 -1.082 -9.275 -11.348 1.00 10.00 H new ATOM 593 N GLN A 55 -6.587 -2.066 -8.884 1.00 10.00 N ATOM 594 CA GLN A 55 -7.998 -2.203 -8.542 1.00 10.00 C ATOM 595 C GLN A 55 -8.891 -1.602 -9.629 1.00 10.00 C ATOM 596 O GLN A 55 -10.110 -1.782 -9.614 1.00 10.00 O ATOM 597 CB GLN A 55 -8.281 -1.530 -7.196 1.00 10.00 C ATOM 598 CG GLN A 55 -7.601 -2.213 -6.020 1.00 10.00 C ATOM 599 CD GLN A 55 -8.259 -3.527 -5.632 1.00 10.00 C ATOM 600 OE1 GLN A 55 -7.587 -4.478 -5.230 1.00 10.00 O ATOM 601 NE2 GLN A 55 -9.580 -3.586 -5.731 1.00 10.00 N ATOM 0 H GLN A 55 -6.141 -1.232 -8.502 1.00 10.00 H new ATOM 0 HA GLN A 55 -8.226 -3.266 -8.466 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -7.953 -0.492 -7.242 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.357 -1.517 -7.025 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -6.556 -2.396 -6.269 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -7.611 -1.541 -5.162 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -10.103 -2.778 -6.068 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -10.073 -4.440 -5.470 1.00 10.00 H new ATOM 610 N GLY A 56 -8.274 -0.894 -10.571 1.00 10.00 N ATOM 611 CA GLY A 56 -9.018 -0.276 -11.654 1.00 10.00 C ATOM 612 C GLY A 56 -9.864 0.892 -11.185 1.00 10.00 C ATOM 613 O GLY A 56 -10.993 1.080 -11.647 1.00 10.00 O ATOM 0 H GLY A 56 -7.267 -0.737 -10.603 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.322 0.068 -12.419 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.661 -1.022 -12.121 1.00 10.00 H new ATOM 617 N VAL A 57 -9.322 1.680 -10.268 1.00 10.00 N ATOM 618 CA VAL A 57 -10.035 2.831 -9.725 1.00 10.00 C ATOM 619 C VAL A 57 -9.129 4.060 -9.676 1.00 10.00 C ATOM 620 O VAL A 57 -7.903 3.933 -9.719 1.00 10.00 O ATOM 621 CB VAL A 57 -10.577 2.541 -8.305 1.00 10.00 C ATOM 622 CG1 VAL A 57 -11.758 1.584 -8.362 1.00 10.00 C ATOM 623 CG2 VAL A 57 -9.480 1.984 -7.412 1.00 10.00 C ATOM 0 H VAL A 57 -8.388 1.544 -9.882 1.00 10.00 H new ATOM 0 HA VAL A 57 -10.876 3.029 -10.389 1.00 10.00 H new ATOM 0 HB VAL A 57 -10.921 3.482 -7.877 1.00 10.00 H new ATOM 0 HG11 VAL A 57 -12.122 1.395 -7.352 1.00 10.00 H new ATOM 0 HG12 VAL A 57 -12.556 2.026 -8.959 1.00 10.00 H new ATOM 0 HG13 VAL A 57 -11.443 0.644 -8.816 1.00 10.00 H new ATOM 0 HG21 VAL A 57 -9.884 1.788 -6.419 1.00 10.00 H new ATOM 0 HG22 VAL A 57 -9.099 1.056 -7.839 1.00 10.00 H new ATOM 0 HG23 VAL A 57 -8.669 2.708 -7.337 1.00 10.00 H new ATOM 633 N PRO A 58 -9.720 5.269 -9.623 1.00 10.00 N ATOM 634 CA PRO A 58 -8.958 6.522 -9.548 1.00 10.00 C ATOM 635 C PRO A 58 -8.179 6.642 -8.240 1.00 10.00 C ATOM 636 O PRO A 58 -8.403 5.878 -7.301 1.00 10.00 O ATOM 637 CB PRO A 58 -10.038 7.610 -9.623 1.00 10.00 C ATOM 638 CG PRO A 58 -11.299 6.936 -9.207 1.00 10.00 C ATOM 639 CD PRO A 58 -11.174 5.510 -9.661 1.00 10.00 C ATOM 0 HA PRO A 58 -8.212 6.591 -10.340 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -9.802 8.446 -8.964 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -10.121 8.014 -10.632 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -11.433 6.991 -8.127 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -12.166 7.416 -9.661 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.712 4.829 -9.002 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -11.579 5.370 -10.663 1.00 10.00 H new ATOM 647 N MET A 59 -7.276 7.605 -8.176 1.00 10.00 N ATOM 648 CA MET A 59 -6.466 7.815 -6.983 1.00 10.00 C ATOM 649 C MET A 59 -7.282 8.499 -5.884 1.00 10.00 C ATOM 650 O MET A 59 -8.262 9.191 -6.172 1.00 10.00 O ATOM 651 CB MET A 59 -5.228 8.650 -7.327 1.00 10.00 C ATOM 652 CG MET A 59 -4.134 8.604 -6.270 1.00 10.00 C ATOM 653 SD MET A 59 -2.649 9.496 -6.777 1.00 10.00 S ATOM 654 CE MET A 59 -1.578 9.203 -5.372 1.00 10.00 C ATOM 0 H MET A 59 -7.083 8.257 -8.937 1.00 10.00 H new ATOM 0 HA MET A 59 -6.143 6.843 -6.610 1.00 10.00 H new ATOM 0 HB2 MET A 59 -4.818 8.299 -8.274 1.00 10.00 H new ATOM 0 HB3 MET A 59 -5.532 9.686 -7.475 1.00 10.00 H new ATOM 0 HG2 MET A 59 -4.512 9.031 -5.341 1.00 10.00 H new ATOM 0 HG3 MET A 59 -3.877 7.565 -6.062 1.00 10.00 H new ATOM 0 HE1 MET A 59 -0.897 10.046 -5.252 1.00 10.00 H new ATOM 0 HE2 MET A 59 -2.182 9.093 -4.471 1.00 10.00 H new ATOM 0 HE3 MET A 59 -1.003 8.292 -5.537 1.00 10.00 H new ATOM 664 N ASN A 60 -6.890 8.254 -4.629 1.00 10.00 N ATOM 665 CA ASN A 60 -7.540 8.835 -3.445 1.00 10.00 C ATOM 666 C ASN A 60 -8.887 8.166 -3.157 1.00 10.00 C ATOM 667 O ASN A 60 -9.579 8.529 -2.208 1.00 10.00 O ATOM 668 CB ASN A 60 -7.711 10.360 -3.589 1.00 10.00 C ATOM 669 CG ASN A 60 -7.982 11.056 -2.263 1.00 10.00 C ATOM 670 OD1 ASN A 60 -7.078 11.229 -1.441 1.00 10.00 O ATOM 671 ND2 ASN A 60 -9.219 11.479 -2.049 1.00 10.00 N ATOM 0 H ASN A 60 -6.106 7.642 -4.403 1.00 10.00 H new ATOM 0 HA ASN A 60 -6.884 8.647 -2.595 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -6.810 10.780 -4.036 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -8.533 10.565 -4.275 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -9.449 11.965 -1.182 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -9.941 11.319 -2.751 1.00 10.00 H new ATOM 678 N SER A 61 -9.246 7.166 -3.955 1.00 10.00 N ATOM 679 CA SER A 61 -10.508 6.462 -3.763 1.00 10.00 C ATOM 680 C SER A 61 -10.395 5.480 -2.600 1.00 10.00 C ATOM 681 O SER A 61 -11.327 5.310 -1.813 1.00 10.00 O ATOM 682 CB SER A 61 -10.905 5.724 -5.045 1.00 10.00 C ATOM 683 OG SER A 61 -9.886 4.828 -5.454 1.00 10.00 O ATOM 0 H SER A 61 -8.685 6.827 -4.736 1.00 10.00 H new ATOM 0 HA SER A 61 -11.282 7.193 -3.528 1.00 10.00 H new ATOM 0 HB2 SER A 61 -11.832 5.175 -4.880 1.00 10.00 H new ATOM 0 HB3 SER A 61 -11.099 6.446 -5.839 1.00 10.00 H new ATOM 0 HG SER A 61 -9.240 5.303 -6.018 1.00 10.00 H new ATOM 689 N LEU A 62 -9.240 4.843 -2.499 1.00 10.00 N ATOM 690 CA LEU A 62 -8.983 3.880 -1.444 1.00 10.00 C ATOM 691 C LEU A 62 -8.010 4.460 -0.429 1.00 10.00 C ATOM 692 O LEU A 62 -6.962 4.995 -0.797 1.00 10.00 O ATOM 693 CB LEU A 62 -8.408 2.588 -2.032 1.00 10.00 C ATOM 694 CG LEU A 62 -9.329 1.835 -2.998 1.00 10.00 C ATOM 695 CD1 LEU A 62 -8.567 0.731 -3.712 1.00 10.00 C ATOM 696 CD2 LEU A 62 -10.525 1.258 -2.255 1.00 10.00 C ATOM 0 H LEU A 62 -8.460 4.978 -3.142 1.00 10.00 H new ATOM 0 HA LEU A 62 -9.925 3.654 -0.945 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -7.481 2.828 -2.554 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -8.148 1.920 -1.211 1.00 10.00 H new ATOM 0 HG LEU A 62 -9.693 2.541 -3.744 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -9.238 0.208 -4.393 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -7.742 1.165 -4.277 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -8.174 0.027 -2.978 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -11.168 0.727 -2.957 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -10.177 0.567 -1.487 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -11.088 2.066 -1.788 1.00 10.00 H new ATOM 708 N ARG A 63 -8.366 4.371 0.842 1.00 10.00 N ATOM 709 CA ARG A 63 -7.515 4.878 1.907 1.00 10.00 C ATOM 710 C ARG A 63 -6.725 3.737 2.521 1.00 10.00 C ATOM 711 O ARG A 63 -7.200 2.601 2.576 1.00 10.00 O ATOM 712 CB ARG A 63 -8.341 5.582 2.989 1.00 10.00 C ATOM 713 CG ARG A 63 -9.451 4.720 3.570 1.00 10.00 C ATOM 714 CD ARG A 63 -9.859 5.186 4.959 1.00 10.00 C ATOM 715 NE ARG A 63 -10.897 4.333 5.534 1.00 10.00 N ATOM 716 CZ ARG A 63 -12.204 4.600 5.470 1.00 10.00 C ATOM 717 NH1 ARG A 63 -12.636 5.695 4.855 1.00 10.00 N ATOM 718 NH2 ARG A 63 -13.082 3.770 6.024 1.00 10.00 N ATOM 0 H ARG A 63 -9.239 3.952 1.162 1.00 10.00 H new ATOM 0 HA ARG A 63 -6.829 5.607 1.477 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -7.677 5.895 3.795 1.00 10.00 H new ATOM 0 HB3 ARG A 63 -8.779 6.487 2.568 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -10.317 4.748 2.908 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -9.119 3.683 3.617 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -8.987 5.188 5.613 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -10.220 6.213 4.906 1.00 10.00 H new ATOM 0 HE ARG A 63 -10.605 3.481 6.014 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -11.968 6.337 4.428 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -13.635 5.894 4.809 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -12.758 2.928 6.499 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -14.080 3.976 5.974 1.00 10.00 H new ATOM 732 N PHE A 64 -5.523 4.035 2.976 1.00 10.00 N ATOM 733 CA PHE A 64 -4.672 3.030 3.583 1.00 10.00 C ATOM 734 C PHE A 64 -4.504 3.323 5.064 1.00 10.00 C ATOM 735 O PHE A 64 -4.017 4.387 5.440 1.00 10.00 O ATOM 736 CB PHE A 64 -3.315 2.992 2.881 1.00 10.00 C ATOM 737 CG PHE A 64 -3.430 2.915 1.386 1.00 10.00 C ATOM 738 CD1 PHE A 64 -2.943 3.935 0.587 1.00 10.00 C ATOM 739 CD2 PHE A 64 -4.029 1.824 0.782 1.00 10.00 C ATOM 740 CE1 PHE A 64 -3.054 3.869 -0.786 1.00 10.00 C ATOM 741 CE2 PHE A 64 -4.142 1.751 -0.592 1.00 10.00 C ATOM 742 CZ PHE A 64 -3.652 2.773 -1.378 1.00 10.00 C ATOM 0 H PHE A 64 -5.113 4.968 2.936 1.00 10.00 H new ATOM 0 HA PHE A 64 -5.140 2.052 3.473 1.00 10.00 H new ATOM 0 HB2 PHE A 64 -2.747 3.883 3.151 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -2.750 2.132 3.241 1.00 10.00 H new ATOM 0 HD1 PHE A 64 -2.471 4.792 1.044 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -4.413 1.020 1.392 1.00 10.00 H new ATOM 0 HE1 PHE A 64 -2.674 4.673 -1.398 1.00 10.00 H new ATOM 0 HE2 PHE A 64 -4.614 0.895 -1.051 1.00 10.00 H new ATOM 0 HZ PHE A 64 -3.735 2.717 -2.453 1.00 10.00 H new ATOM 752 N LEU A 65 -4.918 2.382 5.896 1.00 10.00 N ATOM 753 CA LEU A 65 -4.837 2.548 7.339 1.00 10.00 C ATOM 754 C LEU A 65 -3.811 1.600 7.942 1.00 10.00 C ATOM 755 O LEU A 65 -3.855 0.389 7.716 1.00 10.00 O ATOM 756 CB LEU A 65 -6.208 2.315 7.981 1.00 10.00 C ATOM 757 CG LEU A 65 -7.194 3.477 7.848 1.00 10.00 C ATOM 758 CD1 LEU A 65 -8.613 3.009 8.131 1.00 10.00 C ATOM 759 CD2 LEU A 65 -6.812 4.609 8.789 1.00 10.00 C ATOM 0 H LEU A 65 -5.315 1.492 5.596 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.519 3.571 7.542 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -6.655 1.427 7.534 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -6.064 2.101 9.040 1.00 10.00 H new ATOM 0 HG LEU A 65 -7.151 3.848 6.824 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -9.300 3.849 8.032 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -8.888 2.230 7.420 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -8.670 2.612 9.145 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -7.524 5.427 8.681 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -6.827 4.248 9.817 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -5.811 4.964 8.544 1.00 10.00 H new ATOM 771 N PHE A 66 -2.883 2.165 8.697 1.00 10.00 N ATOM 772 CA PHE A 66 -1.841 1.396 9.351 1.00 10.00 C ATOM 773 C PHE A 66 -1.711 1.845 10.802 1.00 10.00 C ATOM 774 O PHE A 66 -1.372 2.998 11.073 1.00 10.00 O ATOM 775 CB PHE A 66 -0.510 1.572 8.610 1.00 10.00 C ATOM 776 CG PHE A 66 0.645 0.851 9.245 1.00 10.00 C ATOM 777 CD1 PHE A 66 0.560 -0.500 9.535 1.00 10.00 C ATOM 778 CD2 PHE A 66 1.815 1.528 9.550 1.00 10.00 C ATOM 779 CE1 PHE A 66 1.620 -1.165 10.121 1.00 10.00 C ATOM 780 CE2 PHE A 66 2.880 0.870 10.136 1.00 10.00 C ATOM 781 CZ PHE A 66 2.783 -0.479 10.422 1.00 10.00 C ATOM 0 H PHE A 66 -2.832 3.168 8.873 1.00 10.00 H new ATOM 0 HA PHE A 66 -2.105 0.339 9.331 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -0.627 1.218 7.586 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -0.275 2.635 8.555 1.00 10.00 H new ATOM 0 HD1 PHE A 66 -0.345 -1.040 9.301 1.00 10.00 H new ATOM 0 HD2 PHE A 66 1.896 2.582 9.327 1.00 10.00 H new ATOM 0 HE1 PHE A 66 1.541 -2.219 10.344 1.00 10.00 H new ATOM 0 HE2 PHE A 66 3.786 1.409 10.370 1.00 10.00 H new ATOM 0 HZ PHE A 66 3.613 -0.996 10.879 1.00 10.00 H new ATOM 791 N GLU A 67 -2.026 0.935 11.720 1.00 10.00 N ATOM 792 CA GLU A 67 -1.956 1.196 13.159 1.00 10.00 C ATOM 793 C GLU A 67 -2.931 2.296 13.577 1.00 10.00 C ATOM 794 O GLU A 67 -2.697 3.014 14.553 1.00 10.00 O ATOM 795 CB GLU A 67 -0.528 1.560 13.580 1.00 10.00 C ATOM 796 CG GLU A 67 0.459 0.411 13.429 1.00 10.00 C ATOM 797 CD GLU A 67 0.026 -0.828 14.184 1.00 10.00 C ATOM 798 OE1 GLU A 67 -0.693 -1.663 13.600 1.00 10.00 O ATOM 799 OE2 GLU A 67 0.399 -0.969 15.367 1.00 10.00 O ATOM 0 H GLU A 67 -2.338 -0.008 11.488 1.00 10.00 H new ATOM 0 HA GLU A 67 -2.246 0.278 13.671 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -0.185 2.404 12.982 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -0.536 1.888 14.620 1.00 10.00 H new ATOM 0 HG2 GLU A 67 0.570 0.168 12.372 1.00 10.00 H new ATOM 0 HG3 GLU A 67 1.438 0.728 13.788 1.00 10.00 H new ATOM 806 N GLY A 68 -4.027 2.416 12.838 1.00 10.00 N ATOM 807 CA GLY A 68 -5.026 3.421 13.149 1.00 10.00 C ATOM 808 C GLY A 68 -4.759 4.755 12.477 1.00 10.00 C ATOM 809 O GLY A 68 -5.535 5.699 12.629 1.00 10.00 O ATOM 0 H GLY A 68 -4.242 1.835 12.028 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -6.007 3.057 12.843 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -5.063 3.566 14.229 1.00 10.00 H new ATOM 813 N GLN A 69 -3.665 4.839 11.733 1.00 10.00 N ATOM 814 CA GLN A 69 -3.309 6.072 11.047 1.00 10.00 C ATOM 815 C GLN A 69 -3.321 5.872 9.537 1.00 10.00 C ATOM 816 O GLN A 69 -2.878 4.837 9.039 1.00 10.00 O ATOM 817 CB GLN A 69 -1.936 6.560 11.510 1.00 10.00 C ATOM 818 CG GLN A 69 -1.927 7.060 12.945 1.00 10.00 C ATOM 819 CD GLN A 69 -0.587 7.634 13.356 1.00 10.00 C ATOM 820 OE1 GLN A 69 0.465 7.207 12.879 1.00 10.00 O ATOM 821 NE2 GLN A 69 -0.616 8.613 14.242 1.00 10.00 N ATOM 0 H GLN A 69 -3.010 4.070 11.590 1.00 10.00 H new ATOM 0 HA GLN A 69 -4.051 6.830 11.297 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -1.217 5.747 11.412 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -1.602 7.362 10.851 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -2.696 7.823 13.064 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -2.186 6.239 13.613 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -1.508 8.938 14.613 1.00 10.00 H new ATOM 0 HE22 GLN A 69 0.254 9.044 14.555 1.00 10.00 H new ATOM 830 N ARG A 70 -3.831 6.861 8.814 1.00 10.00 N ATOM 831 CA ARG A 70 -3.902 6.779 7.360 1.00 10.00 C ATOM 832 C ARG A 70 -2.587 7.226 6.733 1.00 10.00 C ATOM 833 O ARG A 70 -1.966 8.194 7.178 1.00 10.00 O ATOM 834 CB ARG A 70 -5.081 7.602 6.811 1.00 10.00 C ATOM 835 CG ARG A 70 -5.118 9.046 7.285 1.00 10.00 C ATOM 836 CD ARG A 70 -6.492 9.668 7.064 1.00 10.00 C ATOM 837 NE ARG A 70 -6.786 9.893 5.646 1.00 10.00 N ATOM 838 CZ ARG A 70 -7.956 9.604 5.061 1.00 10.00 C ATOM 839 NH1 ARG A 70 -8.951 9.069 5.762 1.00 10.00 N ATOM 840 NH2 ARG A 70 -8.131 9.859 3.772 1.00 10.00 N ATOM 0 H ARG A 70 -4.200 7.726 9.208 1.00 10.00 H new ATOM 0 HA ARG A 70 -4.074 5.737 7.090 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -5.039 7.592 5.722 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -6.013 7.115 7.099 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -4.863 9.090 8.344 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -4.364 9.625 6.751 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -7.255 9.017 7.491 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -6.548 10.617 7.598 1.00 10.00 H new ATOM 0 HE ARG A 70 -6.051 10.297 5.066 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -8.828 8.875 6.756 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -9.838 8.853 5.306 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -7.375 10.275 3.227 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -9.021 9.640 3.325 1.00 10.00 H new ATOM 854 N ILE A 71 -2.165 6.495 5.710 1.00 10.00 N ATOM 855 CA ILE A 71 -0.919 6.784 5.012 1.00 10.00 C ATOM 856 C ILE A 71 -1.034 8.058 4.182 1.00 10.00 C ATOM 857 O ILE A 71 -1.945 8.204 3.357 1.00 10.00 O ATOM 858 CB ILE A 71 -0.499 5.615 4.089 1.00 10.00 C ATOM 859 CG1 ILE A 71 -0.482 4.291 4.865 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.867 5.889 3.470 1.00 10.00 C ATOM 861 CD1 ILE A 71 0.526 4.253 5.995 1.00 10.00 C ATOM 0 H ILE A 71 -2.673 5.690 5.342 1.00 10.00 H new ATOM 0 HA ILE A 71 -0.156 6.921 5.778 1.00 10.00 H new ATOM 0 HB ILE A 71 -1.232 5.531 3.287 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.476 4.107 5.272 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.266 3.478 4.172 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.147 5.057 2.824 1.00 10.00 H new ATOM 0 HG22 ILE A 71 0.823 6.806 2.882 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.609 6.000 4.261 1.00 10.00 H new ATOM 0 HD11 ILE A 71 0.477 3.285 6.494 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.528 4.404 5.594 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.300 5.043 6.711 1.00 10.00 H new ATOM 873 N ALA A 72 -0.100 8.970 4.406 1.00 10.00 N ATOM 874 CA ALA A 72 -0.062 10.236 3.696 1.00 10.00 C ATOM 875 C ALA A 72 0.588 10.059 2.328 1.00 10.00 C ATOM 876 O ALA A 72 1.020 8.963 1.976 1.00 10.00 O ATOM 877 CB ALA A 72 0.688 11.276 4.517 1.00 10.00 C ATOM 0 H ALA A 72 0.652 8.852 5.085 1.00 10.00 H new ATOM 0 HA ALA A 72 -1.084 10.585 3.546 1.00 10.00 H new ATOM 0 HB1 ALA A 72 0.710 12.221 3.974 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.184 11.418 5.473 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.708 10.935 4.692 1.00 10.00 H new ATOM 883 N ASP A 73 0.671 11.134 1.565 1.00 10.00 N ATOM 884 CA ASP A 73 1.261 11.075 0.232 1.00 10.00 C ATOM 885 C ASP A 73 2.760 11.347 0.274 1.00 10.00 C ATOM 886 O ASP A 73 3.430 11.330 -0.757 1.00 10.00 O ATOM 887 CB ASP A 73 0.575 12.075 -0.699 1.00 10.00 C ATOM 888 CG ASP A 73 -0.597 11.472 -1.446 1.00 10.00 C ATOM 889 OD1 ASP A 73 -1.552 11.004 -0.792 1.00 10.00 O ATOM 890 OD2 ASP A 73 -0.575 11.471 -2.694 1.00 10.00 O ATOM 0 H ASP A 73 0.339 12.058 1.841 1.00 10.00 H new ATOM 0 HA ASP A 73 1.110 10.066 -0.152 1.00 10.00 H new ATOM 0 HB2 ASP A 73 0.228 12.928 -0.116 1.00 10.00 H new ATOM 0 HB3 ASP A 73 1.302 12.454 -1.417 1.00 10.00 H new ATOM 895 N ASN A 74 3.282 11.602 1.464 1.00 10.00 N ATOM 896 CA ASN A 74 4.707 11.877 1.631 1.00 10.00 C ATOM 897 C ASN A 74 5.338 10.898 2.618 1.00 10.00 C ATOM 898 O ASN A 74 6.476 11.087 3.058 1.00 10.00 O ATOM 899 CB ASN A 74 4.925 13.313 2.117 1.00 10.00 C ATOM 900 CG ASN A 74 4.544 13.499 3.575 1.00 10.00 C ATOM 901 OD1 ASN A 74 3.430 13.173 3.986 1.00 10.00 O ATOM 902 ND2 ASN A 74 5.469 14.016 4.370 1.00 10.00 N ATOM 0 H ASN A 74 2.743 11.625 2.330 1.00 10.00 H new ATOM 0 HA ASN A 74 5.187 11.753 0.660 1.00 10.00 H new ATOM 0 HB2 ASN A 74 5.972 13.584 1.981 1.00 10.00 H new ATOM 0 HB3 ASN A 74 4.337 13.994 1.502 1.00 10.00 H new ATOM 0 HD21 ASN A 74 5.270 14.156 5.360 1.00 10.00 H new ATOM 0 HD22 ASN A 74 6.381 14.274 3.992 1.00 10.00 H new ATOM 909 N HIS A 75 4.600 9.847 2.951 1.00 10.00 N ATOM 910 CA HIS A 75 5.080 8.841 3.893 1.00 10.00 C ATOM 911 C HIS A 75 6.156 7.966 3.260 1.00 10.00 C ATOM 912 O HIS A 75 6.214 7.823 2.038 1.00 10.00 O ATOM 913 CB HIS A 75 3.918 7.971 4.382 1.00 10.00 C ATOM 914 CG HIS A 75 3.434 8.325 5.755 1.00 10.00 C ATOM 915 ND1 HIS A 75 2.093 8.408 6.046 1.00 10.00 N ATOM 916 CD2 HIS A 75 4.143 8.593 6.875 1.00 10.00 C ATOM 917 CE1 HIS A 75 2.017 8.717 7.329 1.00 10.00 C ATOM 918 NE2 HIS A 75 3.234 8.839 7.869 1.00 10.00 N ATOM 0 H HIS A 75 3.666 9.668 2.583 1.00 10.00 H new ATOM 0 HA HIS A 75 5.518 9.361 4.745 1.00 10.00 H new ATOM 0 HB2 HIS A 75 3.089 8.061 3.680 1.00 10.00 H new ATOM 0 HB3 HIS A 75 4.230 6.927 4.375 1.00 10.00 H new ATOM 0 HD2 HIS A 75 5.219 8.610 6.968 1.00 10.00 H new ATOM 0 HE1 HIS A 75 1.092 8.853 7.870 1.00 10.00 H new ATOM 0 HE2 HIS A 75 3.446 9.072 8.839 1.00 10.00 H new ATOM 926 N THR A 76 7.014 7.403 4.097 1.00 10.00 N ATOM 927 CA THR A 76 8.086 6.532 3.640 1.00 10.00 C ATOM 928 C THR A 76 8.095 5.230 4.441 1.00 10.00 C ATOM 929 O THR A 76 7.665 5.209 5.594 1.00 10.00 O ATOM 930 CB THR A 76 9.460 7.224 3.766 1.00 10.00 C ATOM 931 OG1 THR A 76 9.530 7.969 4.992 1.00 10.00 O ATOM 932 CG2 THR A 76 9.712 8.153 2.588 1.00 10.00 C ATOM 0 H THR A 76 6.987 7.536 5.108 1.00 10.00 H new ATOM 0 HA THR A 76 7.904 6.309 2.589 1.00 10.00 H new ATOM 0 HB THR A 76 10.228 6.450 3.769 1.00 10.00 H new ATOM 0 HG1 THR A 76 8.652 8.358 5.189 1.00 10.00 H new ATOM 0 HG21 THR A 76 10.687 8.628 2.701 1.00 10.00 H new ATOM 0 HG22 THR A 76 9.693 7.579 1.662 1.00 10.00 H new ATOM 0 HG23 THR A 76 8.937 8.919 2.556 1.00 10.00 H new ATOM 940 N PRO A 77 8.578 4.123 3.850 1.00 10.00 N ATOM 941 CA PRO A 77 8.633 2.826 4.535 1.00 10.00 C ATOM 942 C PRO A 77 9.708 2.782 5.623 1.00 10.00 C ATOM 943 O PRO A 77 9.888 1.765 6.291 1.00 10.00 O ATOM 944 CB PRO A 77 8.969 1.845 3.409 1.00 10.00 C ATOM 945 CG PRO A 77 9.690 2.661 2.394 1.00 10.00 C ATOM 946 CD PRO A 77 9.090 4.039 2.466 1.00 10.00 C ATOM 0 HA PRO A 77 7.701 2.600 5.053 1.00 10.00 H new ATOM 0 HB2 PRO A 77 9.590 1.026 3.771 1.00 10.00 H new ATOM 0 HB3 PRO A 77 8.066 1.400 2.990 1.00 10.00 H new ATOM 0 HG2 PRO A 77 10.759 2.690 2.605 1.00 10.00 H new ATOM 0 HG3 PRO A 77 9.573 2.236 1.397 1.00 10.00 H new ATOM 0 HD2 PRO A 77 9.833 4.811 2.266 1.00 10.00 H new ATOM 0 HD3 PRO A 77 8.292 4.168 1.735 1.00 10.00 H new ATOM 954 N LYS A 78 10.413 3.893 5.798 1.00 10.00 N ATOM 955 CA LYS A 78 11.470 3.987 6.797 1.00 10.00 C ATOM 956 C LYS A 78 10.932 4.573 8.105 1.00 10.00 C ATOM 957 O LYS A 78 11.657 4.696 9.092 1.00 10.00 O ATOM 958 CB LYS A 78 12.620 4.848 6.260 1.00 10.00 C ATOM 959 CG LYS A 78 13.951 4.625 6.963 1.00 10.00 C ATOM 960 CD LYS A 78 14.393 3.173 6.884 1.00 10.00 C ATOM 961 CE LYS A 78 15.855 3.017 7.269 1.00 10.00 C ATOM 962 NZ LYS A 78 16.223 1.597 7.502 1.00 10.00 N ATOM 0 H LYS A 78 10.270 4.746 5.257 1.00 10.00 H new ATOM 0 HA LYS A 78 11.843 2.984 7.004 1.00 10.00 H new ATOM 0 HB2 LYS A 78 12.745 4.644 5.197 1.00 10.00 H new ATOM 0 HB3 LYS A 78 12.345 5.899 6.352 1.00 10.00 H new ATOM 0 HG2 LYS A 78 14.712 5.262 6.512 1.00 10.00 H new ATOM 0 HG3 LYS A 78 13.865 4.923 8.008 1.00 10.00 H new ATOM 0 HD2 LYS A 78 13.774 2.566 7.545 1.00 10.00 H new ATOM 0 HD3 LYS A 78 14.240 2.799 5.872 1.00 10.00 H new ATOM 0 HE2 LYS A 78 16.483 3.429 6.479 1.00 10.00 H new ATOM 0 HE3 LYS A 78 16.056 3.596 8.171 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 17.228 1.537 7.762 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 15.642 1.210 8.273 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 16.057 1.048 6.634 1.00 10.00 H new ATOM 976 N GLU A 79 9.657 4.934 8.109 1.00 10.00 N ATOM 977 CA GLU A 79 9.030 5.495 9.299 1.00 10.00 C ATOM 978 C GLU A 79 7.810 4.667 9.691 1.00 10.00 C ATOM 979 O GLU A 79 7.469 3.705 8.995 1.00 10.00 O ATOM 980 CB GLU A 79 8.641 6.957 9.058 1.00 10.00 C ATOM 981 CG GLU A 79 7.579 7.142 7.989 1.00 10.00 C ATOM 982 CD GLU A 79 7.419 8.586 7.571 1.00 10.00 C ATOM 983 OE1 GLU A 79 7.317 9.459 8.459 1.00 10.00 O ATOM 984 OE2 GLU A 79 7.392 8.858 6.353 1.00 10.00 O ATOM 0 H GLU A 79 9.037 4.849 7.304 1.00 10.00 H new ATOM 0 HA GLU A 79 9.745 5.464 10.121 1.00 10.00 H new ATOM 0 HB2 GLU A 79 8.280 7.386 9.993 1.00 10.00 H new ATOM 0 HB3 GLU A 79 9.531 7.518 8.773 1.00 10.00 H new ATOM 0 HG2 GLU A 79 7.839 6.542 7.117 1.00 10.00 H new ATOM 0 HG3 GLU A 79 6.625 6.768 8.361 1.00 10.00 H new ATOM 991 N LEU A 80 7.180 5.034 10.812 1.00 10.00 N ATOM 992 CA LEU A 80 5.986 4.351 11.337 1.00 10.00 C ATOM 993 C LEU A 80 6.326 2.983 11.934 1.00 10.00 C ATOM 994 O LEU A 80 5.985 2.694 13.084 1.00 10.00 O ATOM 995 CB LEU A 80 4.907 4.203 10.255 1.00 10.00 C ATOM 996 CG LEU A 80 4.255 5.511 9.809 1.00 10.00 C ATOM 997 CD1 LEU A 80 3.534 5.320 8.485 1.00 10.00 C ATOM 998 CD2 LEU A 80 3.290 6.015 10.872 1.00 10.00 C ATOM 0 H LEU A 80 7.484 5.819 11.387 1.00 10.00 H new ATOM 0 HA LEU A 80 5.592 4.978 12.137 1.00 10.00 H new ATOM 0 HB2 LEU A 80 5.351 3.721 9.384 1.00 10.00 H new ATOM 0 HB3 LEU A 80 4.130 3.536 10.627 1.00 10.00 H new ATOM 0 HG LEU A 80 5.038 6.257 9.672 1.00 10.00 H new ATOM 0 HD11 LEU A 80 3.075 6.261 8.182 1.00 10.00 H new ATOM 0 HD12 LEU A 80 4.248 5.002 7.725 1.00 10.00 H new ATOM 0 HD13 LEU A 80 2.761 4.559 8.598 1.00 10.00 H new ATOM 0 HD21 LEU A 80 2.835 6.947 10.538 1.00 10.00 H new ATOM 0 HD22 LEU A 80 2.512 5.271 11.039 1.00 10.00 H new ATOM 0 HD23 LEU A 80 3.831 6.189 11.802 1.00 10.00 H new ATOM 1010 N GLY A 81 6.988 2.148 11.150 1.00 10.00 N ATOM 1011 CA GLY A 81 7.361 0.829 11.613 1.00 10.00 C ATOM 1012 C GLY A 81 6.849 -0.263 10.700 1.00 10.00 C ATOM 1013 O GLY A 81 6.035 -1.090 11.106 1.00 10.00 O ATOM 0 H GLY A 81 7.275 2.362 10.195 1.00 10.00 H new ATOM 0 HA2 GLY A 81 8.447 0.763 11.682 1.00 10.00 H new ATOM 0 HA3 GLY A 81 6.968 0.674 12.618 1.00 10.00 H new ATOM 1017 N MET A 82 7.325 -0.264 9.465 1.00 10.00 N ATOM 1018 CA MET A 82 6.912 -1.261 8.487 1.00 10.00 C ATOM 1019 C MET A 82 7.959 -2.365 8.385 1.00 10.00 C ATOM 1020 O MET A 82 9.154 -2.089 8.242 1.00 10.00 O ATOM 1021 CB MET A 82 6.702 -0.611 7.117 1.00 10.00 C ATOM 1022 CG MET A 82 5.620 0.459 7.103 1.00 10.00 C ATOM 1023 SD MET A 82 5.513 1.313 5.518 1.00 10.00 S ATOM 1024 CE MET A 82 4.310 2.587 5.904 1.00 10.00 C ATOM 0 H MET A 82 8.000 0.416 9.114 1.00 10.00 H new ATOM 0 HA MET A 82 5.969 -1.697 8.816 1.00 10.00 H new ATOM 0 HB2 MET A 82 7.642 -0.168 6.788 1.00 10.00 H new ATOM 0 HB3 MET A 82 6.444 -1.385 6.394 1.00 10.00 H new ATOM 0 HG2 MET A 82 4.658 0.001 7.331 1.00 10.00 H new ATOM 0 HG3 MET A 82 5.822 1.185 7.890 1.00 10.00 H new ATOM 0 HE1 MET A 82 3.568 2.640 5.107 1.00 10.00 H new ATOM 0 HE2 MET A 82 3.816 2.347 6.845 1.00 10.00 H new ATOM 0 HE3 MET A 82 4.815 3.549 5.994 1.00 10.00 H new ATOM 1034 N GLU A 83 7.515 -3.610 8.467 1.00 10.00 N ATOM 1035 CA GLU A 83 8.419 -4.748 8.387 1.00 10.00 C ATOM 1036 C GLU A 83 7.812 -5.866 7.550 1.00 10.00 C ATOM 1037 O GLU A 83 6.701 -5.736 7.041 1.00 10.00 O ATOM 1038 CB GLU A 83 8.760 -5.262 9.791 1.00 10.00 C ATOM 1039 CG GLU A 83 10.030 -4.658 10.374 1.00 10.00 C ATOM 1040 CD GLU A 83 11.291 -5.214 9.739 1.00 10.00 C ATOM 1041 OE1 GLU A 83 11.270 -5.535 8.530 1.00 10.00 O ATOM 1042 OE2 GLU A 83 12.314 -5.326 10.445 1.00 10.00 O ATOM 0 H GLU A 83 6.533 -3.858 8.589 1.00 10.00 H new ATOM 0 HA GLU A 83 9.337 -4.417 7.902 1.00 10.00 H new ATOM 0 HB2 GLU A 83 7.926 -5.047 10.459 1.00 10.00 H new ATOM 0 HB3 GLU A 83 8.868 -6.346 9.755 1.00 10.00 H new ATOM 0 HG2 GLU A 83 10.007 -3.577 10.240 1.00 10.00 H new ATOM 0 HG3 GLU A 83 10.056 -4.845 11.447 1.00 10.00 H new ATOM 1049 N GLU A 84 8.550 -6.959 7.408 1.00 10.00 N ATOM 1050 CA GLU A 84 8.092 -8.104 6.630 1.00 10.00 C ATOM 1051 C GLU A 84 6.858 -8.733 7.274 1.00 10.00 C ATOM 1052 O GLU A 84 6.728 -8.740 8.500 1.00 10.00 O ATOM 1053 CB GLU A 84 9.221 -9.133 6.508 1.00 10.00 C ATOM 1054 CG GLU A 84 8.884 -10.327 5.626 1.00 10.00 C ATOM 1055 CD GLU A 84 8.308 -9.922 4.283 1.00 10.00 C ATOM 1056 OE1 GLU A 84 9.049 -9.347 3.459 1.00 10.00 O ATOM 1057 OE2 GLU A 84 7.109 -10.177 4.049 1.00 10.00 O ATOM 0 H GLU A 84 9.474 -7.078 7.824 1.00 10.00 H new ATOM 0 HA GLU A 84 7.815 -7.764 5.632 1.00 10.00 H new ATOM 0 HB2 GLU A 84 10.106 -8.639 6.108 1.00 10.00 H new ATOM 0 HB3 GLU A 84 9.479 -9.493 7.504 1.00 10.00 H new ATOM 0 HG2 GLU A 84 9.784 -10.920 5.466 1.00 10.00 H new ATOM 0 HG3 GLU A 84 8.169 -10.966 6.145 1.00 10.00 H new ATOM 1064 N GLU A 85 5.952 -9.238 6.434 1.00 10.00 N ATOM 1065 CA GLU A 85 4.716 -9.873 6.892 1.00 10.00 C ATOM 1066 C GLU A 85 3.817 -8.876 7.618 1.00 10.00 C ATOM 1067 O GLU A 85 3.021 -9.255 8.482 1.00 10.00 O ATOM 1068 CB GLU A 85 5.027 -11.068 7.798 1.00 10.00 C ATOM 1069 CG GLU A 85 5.289 -12.355 7.041 1.00 10.00 C ATOM 1070 CD GLU A 85 4.028 -12.933 6.435 1.00 10.00 C ATOM 1071 OE1 GLU A 85 3.926 -12.978 5.193 1.00 10.00 O ATOM 1072 OE2 GLU A 85 3.131 -13.336 7.203 1.00 10.00 O ATOM 0 H GLU A 85 6.055 -9.218 5.419 1.00 10.00 H new ATOM 0 HA GLU A 85 4.181 -10.231 6.012 1.00 10.00 H new ATOM 0 HB2 GLU A 85 5.898 -10.832 8.409 1.00 10.00 H new ATOM 0 HB3 GLU A 85 4.191 -11.222 8.481 1.00 10.00 H new ATOM 0 HG2 GLU A 85 6.016 -12.167 6.251 1.00 10.00 H new ATOM 0 HG3 GLU A 85 5.733 -13.087 7.716 1.00 10.00 H new ATOM 1079 N ASP A 86 3.944 -7.605 7.254 1.00 10.00 N ATOM 1080 CA ASP A 86 3.148 -6.543 7.864 1.00 10.00 C ATOM 1081 C ASP A 86 1.735 -6.549 7.302 1.00 10.00 C ATOM 1082 O ASP A 86 1.510 -7.004 6.182 1.00 10.00 O ATOM 1083 CB ASP A 86 3.800 -5.181 7.613 1.00 10.00 C ATOM 1084 CG ASP A 86 3.435 -4.149 8.659 1.00 10.00 C ATOM 1085 OD1 ASP A 86 2.702 -4.491 9.614 1.00 10.00 O ATOM 1086 OD2 ASP A 86 3.893 -2.995 8.537 1.00 10.00 O ATOM 0 H ASP A 86 4.593 -7.283 6.536 1.00 10.00 H new ATOM 0 HA ASP A 86 3.101 -6.722 8.938 1.00 10.00 H new ATOM 0 HB2 ASP A 86 4.883 -5.301 7.592 1.00 10.00 H new ATOM 0 HB3 ASP A 86 3.500 -4.816 6.631 1.00 10.00 H new ATOM 1091 N VAL A 87 0.788 -6.039 8.074 1.00 10.00 N ATOM 1092 CA VAL A 87 -0.605 -5.999 7.652 1.00 10.00 C ATOM 1093 C VAL A 87 -1.092 -4.558 7.550 1.00 10.00 C ATOM 1094 O VAL A 87 -0.847 -3.745 8.441 1.00 10.00 O ATOM 1095 CB VAL A 87 -1.516 -6.778 8.630 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -2.963 -6.762 8.156 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -1.025 -8.210 8.798 1.00 10.00 C ATOM 0 H VAL A 87 0.959 -5.646 8.999 1.00 10.00 H new ATOM 0 HA VAL A 87 -0.660 -6.474 6.672 1.00 10.00 H new ATOM 0 HB VAL A 87 -1.471 -6.282 9.600 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -3.583 -7.316 8.861 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -3.315 -5.732 8.096 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -3.029 -7.226 7.172 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -1.680 -8.740 9.490 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -1.034 -8.714 7.831 1.00 10.00 H new ATOM 0 HG23 VAL A 87 -0.009 -8.202 9.193 1.00 10.00 H new ATOM 1107 N ILE A 88 -1.767 -4.244 6.454 1.00 10.00 N ATOM 1108 CA ILE A 88 -2.296 -2.905 6.240 1.00 10.00 C ATOM 1109 C ILE A 88 -3.749 -2.981 5.763 1.00 10.00 C ATOM 1110 O ILE A 88 -4.106 -3.857 4.971 1.00 10.00 O ATOM 1111 CB ILE A 88 -1.431 -2.109 5.230 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -1.942 -0.672 5.092 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -1.398 -2.801 3.875 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -0.945 0.271 4.455 1.00 10.00 C ATOM 0 H ILE A 88 -1.962 -4.900 5.697 1.00 10.00 H new ATOM 0 HA ILE A 88 -2.264 -2.374 7.191 1.00 10.00 H new ATOM 0 HB ILE A 88 -0.412 -2.074 5.615 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.855 -0.676 4.497 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -2.206 -0.294 6.079 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -0.784 -2.221 3.185 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -0.975 -3.799 3.986 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -2.411 -2.879 3.481 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.378 1.269 4.391 1.00 10.00 H new ATOM 0 HD12 ILE A 88 -0.039 0.306 5.061 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.698 -0.082 3.454 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.584 -2.080 6.268 1.00 10.00 N ATOM 1127 CA GLU A 89 -5.996 -2.058 5.906 1.00 10.00 C ATOM 1128 C GLU A 89 -6.262 -1.064 4.784 1.00 10.00 C ATOM 1129 O GLU A 89 -5.619 -0.016 4.700 1.00 10.00 O ATOM 1130 CB GLU A 89 -6.852 -1.699 7.121 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.941 -2.807 8.155 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.742 -2.400 9.373 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.985 -2.518 9.342 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -7.129 -1.968 10.372 1.00 10.00 O ATOM 0 H GLU A 89 -4.307 -1.355 6.930 1.00 10.00 H new ATOM 0 HA GLU A 89 -6.263 -3.055 5.556 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -6.441 -0.806 7.593 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -7.858 -1.447 6.784 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -7.397 -3.687 7.702 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -5.936 -3.093 8.464 1.00 10.00 H new ATOM 1141 N VAL A 90 -7.225 -1.385 3.935 1.00 10.00 N ATOM 1142 CA VAL A 90 -7.584 -0.525 2.820 1.00 10.00 C ATOM 1143 C VAL A 90 -9.097 -0.542 2.593 1.00 10.00 C ATOM 1144 O VAL A 90 -9.696 -1.595 2.365 1.00 10.00 O ATOM 1145 CB VAL A 90 -6.837 -0.930 1.525 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -6.948 -2.424 1.273 1.00 10.00 C ATOM 1147 CG2 VAL A 90 -7.354 -0.141 0.331 1.00 10.00 C ATOM 0 H VAL A 90 -7.775 -2.241 3.998 1.00 10.00 H new ATOM 0 HA VAL A 90 -7.279 0.490 3.075 1.00 10.00 H new ATOM 0 HB VAL A 90 -5.782 -0.690 1.660 1.00 10.00 H new ATOM 0 HG11 VAL A 90 -6.414 -2.679 0.357 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -6.512 -2.968 2.111 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -7.998 -2.699 1.169 1.00 10.00 H new ATOM 0 HG21 VAL A 90 -6.814 -0.443 -0.566 1.00 10.00 H new ATOM 0 HG22 VAL A 90 -8.418 -0.338 0.198 1.00 10.00 H new ATOM 0 HG23 VAL A 90 -7.201 0.924 0.505 1.00 10.00 H new ATOM 1157 N TYR A 91 -9.709 0.631 2.684 1.00 10.00 N ATOM 1158 CA TYR A 91 -11.150 0.773 2.492 1.00 10.00 C ATOM 1159 C TYR A 91 -11.440 1.926 1.542 1.00 10.00 C ATOM 1160 O TYR A 91 -10.559 2.742 1.266 1.00 10.00 O ATOM 1161 CB TYR A 91 -11.856 1.025 3.830 1.00 10.00 C ATOM 1162 CG TYR A 91 -11.617 -0.051 4.865 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -12.315 -1.249 4.826 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -10.695 0.139 5.885 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -12.099 -2.231 5.772 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -10.471 -0.839 6.834 1.00 10.00 C ATOM 1167 CZ TYR A 91 -11.177 -2.021 6.775 1.00 10.00 C ATOM 1168 OH TYR A 91 -10.957 -3.000 7.719 1.00 10.00 O ATOM 0 H TYR A 91 -9.227 1.506 2.891 1.00 10.00 H new ATOM 0 HA TYR A 91 -11.528 -0.156 2.065 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -11.521 1.981 4.231 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -12.928 1.112 3.653 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -13.039 -1.416 4.043 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -10.144 1.066 5.937 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -12.650 -3.159 5.726 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -9.746 -0.678 7.618 1.00 10.00 H new ATOM 0 HH TYR A 91 -10.276 -2.695 8.354 1.00 10.00 H new ATOM 1178 N GLN A 92 -12.666 1.996 1.045 1.00 10.00 N ATOM 1179 CA GLN A 92 -13.050 3.066 0.135 1.00 10.00 C ATOM 1180 C GLN A 92 -13.402 4.327 0.916 1.00 10.00 C ATOM 1181 O GLN A 92 -14.107 4.267 1.927 1.00 10.00 O ATOM 1182 CB GLN A 92 -14.232 2.641 -0.737 1.00 10.00 C ATOM 1183 CG GLN A 92 -14.522 3.600 -1.882 1.00 10.00 C ATOM 1184 CD GLN A 92 -15.619 3.101 -2.798 1.00 10.00 C ATOM 1185 OE1 GLN A 92 -15.357 2.398 -3.776 1.00 10.00 O ATOM 1186 NE2 GLN A 92 -16.855 3.459 -2.491 1.00 10.00 N ATOM 0 H GLN A 92 -13.409 1.329 1.255 1.00 10.00 H new ATOM 0 HA GLN A 92 -12.201 3.279 -0.515 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -14.033 1.650 -1.146 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -15.121 2.555 -0.112 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -14.807 4.570 -1.475 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -13.612 3.753 -2.462 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -17.029 4.042 -1.672 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -17.634 3.152 -3.073 1.00 10.00 H new ATOM 1195 N GLU A 93 -12.897 5.458 0.444 1.00 10.00 N ATOM 1196 CA GLU A 93 -13.143 6.745 1.082 1.00 10.00 C ATOM 1197 C GLU A 93 -14.558 7.240 0.797 1.00 10.00 C ATOM 1198 O GLU A 93 -15.260 6.691 -0.056 1.00 10.00 O ATOM 1199 CB GLU A 93 -12.125 7.772 0.581 1.00 10.00 C ATOM 1200 CG GLU A 93 -10.815 7.758 1.349 1.00 10.00 C ATOM 1201 CD GLU A 93 -10.944 8.391 2.717 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -11.282 7.680 3.683 1.00 10.00 O ATOM 1203 OE2 GLU A 93 -10.712 9.610 2.833 1.00 10.00 O ATOM 0 H GLU A 93 -12.308 5.510 -0.387 1.00 10.00 H new ATOM 0 HA GLU A 93 -13.037 6.618 2.159 1.00 10.00 H new ATOM 0 HB2 GLU A 93 -11.920 7.583 -0.473 1.00 10.00 H new ATOM 0 HB3 GLU A 93 -12.564 8.768 0.647 1.00 10.00 H new ATOM 0 HG2 GLU A 93 -10.472 6.729 1.458 1.00 10.00 H new ATOM 0 HG3 GLU A 93 -10.055 8.289 0.776 1.00 10.00 H new ATOM 1210 N GLN A 94 -14.969 8.281 1.512 1.00 10.00 N ATOM 1211 CA GLN A 94 -16.293 8.863 1.335 1.00 10.00 C ATOM 1212 C GLN A 94 -16.354 9.633 0.020 1.00 10.00 C ATOM 1213 O GLN A 94 -17.394 9.687 -0.635 1.00 10.00 O ATOM 1214 CB GLN A 94 -16.625 9.792 2.505 1.00 10.00 C ATOM 1215 CG GLN A 94 -18.010 10.413 2.419 1.00 10.00 C ATOM 1216 CD GLN A 94 -18.162 11.636 3.302 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -17.201 12.366 3.545 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -19.373 11.874 3.781 1.00 10.00 N ATOM 0 H GLN A 94 -14.401 8.741 2.223 1.00 10.00 H new ATOM 0 HA GLN A 94 -17.028 8.059 1.308 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -16.545 9.231 3.436 1.00 10.00 H new ATOM 0 HB3 GLN A 94 -15.882 10.588 2.547 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -18.215 10.689 1.385 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -18.755 9.670 2.704 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -20.143 11.244 3.556 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -19.536 12.687 4.375 1.00 10.00 H new ATOM 1227 N THR A 95 -15.225 10.219 -0.357 1.00 10.00 N ATOM 1228 CA THR A 95 -15.130 10.984 -1.589 1.00 10.00 C ATOM 1229 C THR A 95 -15.318 10.080 -2.806 1.00 10.00 C ATOM 1230 O THR A 95 -16.096 10.387 -3.712 1.00 10.00 O ATOM 1231 CB THR A 95 -13.764 11.687 -1.678 1.00 10.00 C ATOM 1232 OG1 THR A 95 -12.762 10.871 -1.052 1.00 10.00 O ATOM 1233 CG2 THR A 95 -13.808 13.048 -1.003 1.00 10.00 C ATOM 0 H THR A 95 -14.358 10.177 0.178 1.00 10.00 H new ATOM 0 HA THR A 95 -15.922 11.733 -1.581 1.00 10.00 H new ATOM 0 HB THR A 95 -13.519 11.832 -2.730 1.00 10.00 H new ATOM 0 HG1 THR A 95 -11.892 11.319 -1.111 1.00 10.00 H new ATOM 0 HG21 THR A 95 -12.830 13.524 -1.080 1.00 10.00 H new ATOM 0 HG22 THR A 95 -14.555 13.673 -1.492 1.00 10.00 H new ATOM 0 HG23 THR A 95 -14.070 12.925 0.048 1.00 10.00 H new ATOM 1241 N GLY A 96 -14.604 8.960 -2.814 1.00 10.00 N ATOM 1242 CA GLY A 96 -14.699 8.024 -3.917 1.00 10.00 C ATOM 1243 C GLY A 96 -13.643 8.281 -4.970 1.00 10.00 C ATOM 1244 O GLY A 96 -13.597 7.603 -5.997 1.00 10.00 O ATOM 0 H GLY A 96 -13.959 8.684 -2.073 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -14.595 7.007 -3.539 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -15.688 8.096 -4.370 1.00 10.00 H new ATOM 1248 N GLY A 97 -12.792 9.261 -4.716 1.00 10.00 N ATOM 1249 CA GLY A 97 -11.740 9.597 -5.654 1.00 10.00 C ATOM 1250 C GLY A 97 -11.050 10.890 -5.285 1.00 10.00 C ATOM 1251 O GLY A 97 -11.164 11.348 -4.145 1.00 10.00 O ATOM 0 H GLY A 97 -12.810 9.834 -3.872 1.00 10.00 H new ATOM 0 HA2 GLY A 97 -11.008 8.790 -5.683 1.00 10.00 H new ATOM 0 HA3 GLY A 97 -12.160 9.683 -6.656 1.00 10.00 H new ATOM 1256 N ASP B 195 -6.329 -21.215 -4.105 1.00 10.00 N ATOM 1257 CA ASP B 195 -7.068 -19.965 -4.030 1.00 10.00 C ATOM 1258 C ASP B 195 -6.422 -18.950 -4.962 1.00 10.00 C ATOM 1259 O ASP B 195 -5.687 -19.338 -5.873 1.00 10.00 O ATOM 1260 CB ASP B 195 -7.087 -19.445 -2.590 1.00 10.00 C ATOM 1261 CG ASP B 195 -8.348 -18.666 -2.280 1.00 10.00 C ATOM 1262 OD1 ASP B 195 -9.359 -19.294 -1.906 1.00 10.00 O ATOM 1263 OD2 ASP B 195 -8.333 -17.425 -2.417 1.00 10.00 O ATOM 0 HA ASP B 195 -8.100 -20.130 -4.340 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -7.002 -20.285 -1.901 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -6.218 -18.808 -2.424 1.00 10.00 H new ATOM 1268 N THR B 196 -6.651 -17.664 -4.732 1.00 10.00 N ATOM 1269 CA THR B 196 -6.064 -16.649 -5.589 1.00 10.00 C ATOM 1270 C THR B 196 -5.114 -15.741 -4.816 1.00 10.00 C ATOM 1271 O THR B 196 -5.486 -15.127 -3.811 1.00 10.00 O ATOM 1272 CB THR B 196 -7.152 -15.786 -6.248 1.00 10.00 C ATOM 1273 OG1 THR B 196 -8.406 -16.479 -6.222 1.00 10.00 O ATOM 1274 CG2 THR B 196 -6.784 -15.453 -7.686 1.00 10.00 C ATOM 0 H THR B 196 -7.229 -17.305 -3.972 1.00 10.00 H new ATOM 0 HA THR B 196 -5.501 -17.177 -6.359 1.00 10.00 H new ATOM 0 HB THR B 196 -7.236 -14.855 -5.687 1.00 10.00 H new ATOM 0 HG1 THR B 196 -9.096 -15.923 -6.642 1.00 10.00 H new ATOM 0 HG21 THR B 196 -7.570 -14.842 -8.130 1.00 10.00 H new ATOM 0 HG22 THR B 196 -5.843 -14.903 -7.703 1.00 10.00 H new ATOM 0 HG23 THR B 196 -6.675 -16.375 -8.257 1.00 10.00 H new ATOM 1282 N ALA B 197 -3.888 -15.662 -5.302 1.00 10.00 N ATOM 1283 CA ALA B 197 -2.860 -14.830 -4.706 1.00 10.00 C ATOM 1284 C ALA B 197 -2.301 -13.858 -5.730 1.00 10.00 C ATOM 1285 O ALA B 197 -2.009 -14.243 -6.864 1.00 10.00 O ATOM 1286 CB ALA B 197 -1.748 -15.691 -4.122 1.00 10.00 C ATOM 0 H ALA B 197 -3.577 -16.176 -6.126 1.00 10.00 H new ATOM 0 HA ALA B 197 -3.309 -14.255 -3.897 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -0.986 -15.050 -3.679 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -2.160 -16.347 -3.355 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -1.301 -16.293 -4.913 1.00 10.00 H new ATOM 1292 N GLY B 198 -2.194 -12.598 -5.365 1.00 10.00 N ATOM 1293 CA GLY B 198 -1.636 -11.650 -6.290 1.00 10.00 C ATOM 1294 C GLY B 198 -0.398 -10.983 -5.728 1.00 10.00 C ATOM 1295 O GLY B 198 -0.429 -10.441 -4.627 1.00 10.00 O ATOM 0 H GLY B 198 -2.478 -12.219 -4.461 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -1.386 -12.155 -7.223 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -2.382 -10.892 -6.529 1.00 10.00 H new ATOM 1299 N CYS B 199 0.681 -11.006 -6.484 1.00 10.00 N ATOM 1300 CA CYS B 199 1.919 -10.387 -6.043 1.00 10.00 C ATOM 1301 C CYS B 199 2.288 -9.282 -7.012 1.00 10.00 C ATOM 1302 O CYS B 199 2.363 -9.502 -8.222 1.00 10.00 O ATOM 1303 CB CYS B 199 3.041 -11.433 -5.983 1.00 10.00 C ATOM 1304 SG CYS B 199 2.584 -12.967 -5.128 1.00 10.00 S ATOM 0 H CYS B 199 0.728 -11.444 -7.404 1.00 10.00 H new ATOM 0 HA CYS B 199 1.784 -9.969 -5.045 1.00 10.00 H new ATOM 0 HB2 CYS B 199 3.351 -11.675 -6.999 1.00 10.00 H new ATOM 0 HB3 CYS B 199 3.904 -10.995 -5.482 1.00 10.00 H new ATOM 0 HG CYS B 199 1.296 -13.002 -4.958 1.00 10.00 H new ATOM 1310 N ILE B 200 2.482 -8.094 -6.472 1.00 10.00 N ATOM 1311 CA ILE B 200 2.833 -6.925 -7.260 1.00 10.00 C ATOM 1312 C ILE B 200 4.106 -6.265 -6.737 1.00 10.00 C ATOM 1313 O ILE B 200 4.279 -6.097 -5.528 1.00 10.00 O ATOM 1314 CB ILE B 200 1.656 -5.912 -7.306 1.00 10.00 C ATOM 1315 CG1 ILE B 200 2.082 -4.581 -7.942 1.00 10.00 C ATOM 1316 CG2 ILE B 200 1.095 -5.673 -5.912 1.00 10.00 C ATOM 1317 CD1 ILE B 200 0.934 -3.607 -8.145 1.00 10.00 C ATOM 0 H ILE B 200 2.401 -7.911 -5.472 1.00 10.00 H new ATOM 0 HA ILE B 200 3.030 -7.258 -8.279 1.00 10.00 H new ATOM 0 HB ILE B 200 0.875 -6.348 -7.929 1.00 10.00 H new ATOM 0 HG12 ILE B 200 2.837 -4.112 -7.311 1.00 10.00 H new ATOM 0 HG13 ILE B 200 2.551 -4.782 -8.905 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.272 -4.961 -5.968 1.00 10.00 H new ATOM 0 HG22 ILE B 200 0.732 -6.614 -5.499 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.878 -5.273 -5.268 1.00 10.00 H new ATOM 0 HD11 ILE B 200 1.311 -2.690 -8.598 1.00 10.00 H new ATOM 0 HD12 ILE B 200 0.188 -4.056 -8.801 1.00 10.00 H new ATOM 0 HD13 ILE B 200 0.479 -3.375 -7.182 1.00 10.00 H new ATOM 1329 N VAL B 201 5.013 -5.926 -7.641 1.00 10.00 N ATOM 1330 CA VAL B 201 6.254 -5.265 -7.268 1.00 10.00 C ATOM 1331 C VAL B 201 6.312 -3.894 -7.935 1.00 10.00 C ATOM 1332 O VAL B 201 6.011 -3.751 -9.119 1.00 10.00 O ATOM 1333 CB VAL B 201 7.512 -6.086 -7.644 1.00 10.00 C ATOM 1334 CG1 VAL B 201 8.756 -5.475 -7.015 1.00 10.00 C ATOM 1335 CG2 VAL B 201 7.359 -7.542 -7.220 1.00 10.00 C ATOM 0 H VAL B 201 4.912 -6.099 -8.641 1.00 10.00 H new ATOM 0 HA VAL B 201 6.257 -5.165 -6.183 1.00 10.00 H new ATOM 0 HB VAL B 201 7.623 -6.059 -8.728 1.00 10.00 H new ATOM 0 HG11 VAL B 201 9.630 -6.065 -7.290 1.00 10.00 H new ATOM 0 HG12 VAL B 201 8.881 -4.453 -7.374 1.00 10.00 H new ATOM 0 HG13 VAL B 201 8.649 -5.468 -5.930 1.00 10.00 H new ATOM 0 HG21 VAL B 201 8.256 -8.097 -7.495 1.00 10.00 H new ATOM 0 HG22 VAL B 201 7.217 -7.594 -6.140 1.00 10.00 H new ATOM 0 HG23 VAL B 201 6.494 -7.978 -7.721 1.00 10.00 H new ATOM 1345 N ILE B 202 6.645 -2.884 -7.153 1.00 10.00 N ATOM 1346 CA ILE B 202 6.713 -1.515 -7.648 1.00 10.00 C ATOM 1347 C ILE B 202 8.095 -0.920 -7.411 1.00 10.00 C ATOM 1348 O ILE B 202 8.663 -1.095 -6.331 1.00 10.00 O ATOM 1349 CB ILE B 202 5.644 -0.638 -6.954 1.00 10.00 C ATOM 1350 CG1 ILE B 202 5.719 0.820 -7.415 1.00 10.00 C ATOM 1351 CG2 ILE B 202 5.805 -0.714 -5.441 1.00 10.00 C ATOM 1352 CD1 ILE B 202 4.622 1.673 -6.829 1.00 10.00 C ATOM 0 H ILE B 202 6.875 -2.984 -6.164 1.00 10.00 H new ATOM 0 HA ILE B 202 6.520 -1.536 -8.721 1.00 10.00 H new ATOM 0 HB ILE B 202 4.665 -1.026 -7.236 1.00 10.00 H new ATOM 0 HG12 ILE B 202 6.686 1.236 -7.134 1.00 10.00 H new ATOM 0 HG13 ILE B 202 5.660 0.856 -8.503 1.00 10.00 H new ATOM 0 HG21 ILE B 202 5.047 -0.093 -4.963 1.00 10.00 H new ATOM 0 HG22 ILE B 202 5.687 -1.747 -5.114 1.00 10.00 H new ATOM 0 HG23 ILE B 202 6.796 -0.356 -5.162 1.00 10.00 H new ATOM 0 HD11 ILE B 202 4.725 2.696 -7.190 1.00 10.00 H new ATOM 0 HD12 ILE B 202 3.652 1.277 -7.131 1.00 10.00 H new ATOM 0 HD13 ILE B 202 4.695 1.663 -5.741 1.00 10.00 H new