USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 696 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 78 MET CE :methyl 171:sc= -2.1! (180deg=-2.22!) USER MOD Set 1.2: A 82 LYS NZ :NH3+ -152:sc= 0.452 (180deg=0.353) USER MOD Set 2.1: A 65 GLN : amide:sc= -0.993 K(o=-1,f=-7.7!) USER MOD Set 2.2: A 67 ASN : amide:sc= -0.0169 K(o=-1,f=-2.3!) USER MOD Set 3.1: A 38 TYR OH : rot 171:sc= 0.771 USER MOD Set 3.2: A 52 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 6 SER OG : rot 80:sc= -0.0153 USER MOD Set 4.2: A 20 MET CE :methyl -112:sc= -0.171 (180deg=-2.8!) USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.019 (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 9 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.111) USER MOD Single : A 15 TYR OH : rot -164:sc= 0.0653 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.169 K(o=-0.17,f=-1.2) USER MOD Single : A 27 GLN : amide:sc= -1.44 K(o=-1.4,f=-0.57) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.4 X(o=-0.4,f=-0.29) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -4.07! C(o=-4.1!,f=-6.5!) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -170:sc= -1.48 (180deg=-2.13) USER MOD Single : A 79 GLN : amide:sc= -0.144 K(o=-0.14,f=-2!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.365) USER MOD Single : A 85 GLN : amide:sc= -1.04 K(o=-1,f=-4.1!) USER MOD Single : A 89 SER OG : rot 34:sc= 1.27 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.145 -27.207 -8.723 1.00 0.00 N ATOM 2 CA GLY A 1 -13.317 -26.525 -9.241 1.00 0.00 C ATOM 3 C GLY A 1 -14.133 -25.864 -8.148 1.00 0.00 C ATOM 4 O GLY A 1 -13.583 -25.386 -7.156 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.345 -27.065 -9.372 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.904 -26.822 -7.787 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.345 -28.224 -8.638 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.005 -25.771 -9.964 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.943 -27.240 -9.776 1.00 0.00 H new ATOM 8 N SER A 2 -15.449 -25.834 -8.331 1.00 0.00 N ATOM 9 CA SER A 2 -16.343 -25.222 -7.356 1.00 0.00 C ATOM 10 C SER A 2 -15.851 -23.831 -6.965 1.00 0.00 C ATOM 11 O SER A 2 -15.753 -23.504 -5.783 1.00 0.00 O ATOM 12 CB SER A 2 -16.454 -26.103 -6.110 1.00 0.00 C ATOM 13 OG SER A 2 -16.781 -27.437 -6.457 1.00 0.00 O ATOM 0 H SER A 2 -15.920 -26.227 -9.146 1.00 0.00 H new ATOM 0 HA SER A 2 -17.327 -25.126 -7.814 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.511 -26.087 -5.564 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.216 -25.700 -5.443 1.00 0.00 H new ATOM 0 HG SER A 2 -16.844 -27.980 -5.644 1.00 0.00 H new ATOM 19 N SER A 3 -15.541 -23.017 -7.970 1.00 0.00 N ATOM 20 CA SER A 3 -15.055 -21.662 -7.734 1.00 0.00 C ATOM 21 C SER A 3 -15.992 -20.904 -6.800 1.00 0.00 C ATOM 22 O SER A 3 -17.062 -21.395 -6.444 1.00 0.00 O ATOM 23 CB SER A 3 -14.916 -20.909 -9.059 1.00 0.00 C ATOM 24 OG SER A 3 -13.739 -21.298 -9.746 1.00 0.00 O ATOM 0 H SER A 3 -15.618 -23.272 -8.955 1.00 0.00 H new ATOM 0 HA SER A 3 -14.076 -21.731 -7.260 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.787 -21.104 -9.685 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.893 -19.836 -8.870 1.00 0.00 H new ATOM 0 HG SER A 3 -13.674 -20.804 -10.590 1.00 0.00 H new ATOM 30 N GLY A 4 -15.580 -19.702 -6.406 1.00 0.00 N ATOM 31 CA GLY A 4 -16.394 -18.893 -5.517 1.00 0.00 C ATOM 32 C GLY A 4 -15.582 -18.259 -4.406 1.00 0.00 C ATOM 33 O GLY A 4 -15.446 -17.037 -4.347 1.00 0.00 O ATOM 0 H GLY A 4 -14.697 -19.275 -6.687 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.889 -18.111 -6.093 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.178 -19.513 -5.082 1.00 0.00 H new ATOM 37 N SER A 5 -15.043 -19.090 -3.520 1.00 0.00 N ATOM 38 CA SER A 5 -14.245 -18.603 -2.401 1.00 0.00 C ATOM 39 C SER A 5 -12.794 -18.388 -2.821 1.00 0.00 C ATOM 40 O SER A 5 -12.062 -19.344 -3.075 1.00 0.00 O ATOM 41 CB SER A 5 -14.309 -19.589 -1.234 1.00 0.00 C ATOM 42 OG SER A 5 -15.590 -19.580 -0.627 1.00 0.00 O ATOM 0 H SER A 5 -15.144 -20.104 -3.555 1.00 0.00 H new ATOM 0 HA SER A 5 -14.658 -17.646 -2.082 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.079 -20.593 -1.590 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.551 -19.331 -0.494 1.00 0.00 H new ATOM 0 HG SER A 5 -15.605 -20.220 0.115 1.00 0.00 H new ATOM 48 N SER A 6 -12.386 -17.124 -2.892 1.00 0.00 N ATOM 49 CA SER A 6 -11.025 -16.782 -3.286 1.00 0.00 C ATOM 50 C SER A 6 -10.021 -17.259 -2.240 1.00 0.00 C ATOM 51 O SER A 6 -10.387 -17.916 -1.266 1.00 0.00 O ATOM 52 CB SER A 6 -10.893 -15.271 -3.483 1.00 0.00 C ATOM 53 OG SER A 6 -9.653 -14.942 -4.084 1.00 0.00 O ATOM 0 H SER A 6 -12.979 -16.321 -2.682 1.00 0.00 H new ATOM 0 HA SER A 6 -10.809 -17.285 -4.229 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.710 -14.910 -4.107 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.980 -14.767 -2.521 1.00 0.00 H new ATOM 0 HG SER A 6 -9.706 -15.097 -5.050 1.00 0.00 H new ATOM 59 N GLY A 7 -8.752 -16.923 -2.450 1.00 0.00 N ATOM 60 CA GLY A 7 -7.714 -17.324 -1.518 1.00 0.00 C ATOM 61 C GLY A 7 -6.654 -16.256 -1.336 1.00 0.00 C ATOM 62 O GLY A 7 -6.359 -15.499 -2.261 1.00 0.00 O ATOM 0 H GLY A 7 -8.424 -16.380 -3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.165 -17.552 -0.552 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.244 -18.241 -1.875 1.00 0.00 H new ATOM 66 N CYS A 8 -6.080 -16.193 -0.139 1.00 0.00 N ATOM 67 CA CYS A 8 -5.048 -15.209 0.164 1.00 0.00 C ATOM 68 C CYS A 8 -3.672 -15.866 0.229 1.00 0.00 C ATOM 69 O CYS A 8 -3.558 -17.089 0.298 1.00 0.00 O ATOM 70 CB CYS A 8 -5.354 -14.509 1.489 1.00 0.00 C ATOM 71 SG CYS A 8 -4.355 -13.017 1.791 1.00 0.00 S ATOM 0 H CYS A 8 -6.313 -16.812 0.637 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.041 -14.469 -0.637 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.409 -14.236 1.508 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.192 -15.213 2.305 1.00 0.00 H new ATOM 76 N LYS A 9 -2.629 -15.043 0.205 1.00 0.00 N ATOM 77 CA LYS A 9 -1.259 -15.542 0.264 1.00 0.00 C ATOM 78 C LYS A 9 -0.641 -15.276 1.632 1.00 0.00 C ATOM 79 O LYS A 9 0.204 -16.039 2.101 1.00 0.00 O ATOM 80 CB LYS A 9 -0.410 -14.887 -0.829 1.00 0.00 C ATOM 81 CG LYS A 9 -0.967 -15.079 -2.229 1.00 0.00 C ATOM 82 CD LYS A 9 -0.575 -16.430 -2.804 1.00 0.00 C ATOM 83 CE LYS A 9 -1.228 -16.670 -4.157 1.00 0.00 C ATOM 84 NZ LYS A 9 -2.699 -16.869 -4.036 1.00 0.00 N ATOM 0 H LYS A 9 -2.706 -14.028 0.145 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.283 -16.619 0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.328 -13.820 -0.623 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.599 -15.298 -0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.053 -14.994 -2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.600 -14.285 -2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.509 -16.482 -2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.868 -17.220 -2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.029 -15.822 -4.812 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.780 -17.546 -4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.076 -17.228 -4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.895 -17.556 -3.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.154 -15.962 -3.807 1.00 0.00 H new ATOM 98 N LEU A 10 -1.067 -14.190 2.267 1.00 0.00 N ATOM 99 CA LEU A 10 -0.555 -13.823 3.584 1.00 0.00 C ATOM 100 C LEU A 10 -1.285 -14.589 4.683 1.00 0.00 C ATOM 101 O LEU A 10 -0.730 -15.507 5.289 1.00 0.00 O ATOM 102 CB LEU A 10 -0.705 -12.318 3.810 1.00 0.00 C ATOM 103 CG LEU A 10 -0.057 -11.415 2.760 1.00 0.00 C ATOM 104 CD1 LEU A 10 -0.685 -10.030 2.787 1.00 0.00 C ATOM 105 CD2 LEU A 10 1.445 -11.326 2.986 1.00 0.00 C ATOM 0 H LEU A 10 -1.765 -13.548 1.892 1.00 0.00 H new ATOM 0 HA LEU A 10 0.502 -14.086 3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.768 -12.082 3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.280 -12.073 4.783 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.231 -11.851 1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.211 -9.401 2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.751 -10.110 2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.543 -9.585 3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.889 -10.679 2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.640 -10.913 3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.883 -12.321 2.915 1.00 0.00 H new ATOM 117 N CYS A 11 -2.532 -14.207 4.935 1.00 0.00 N ATOM 118 CA CYS A 11 -3.339 -14.857 5.961 1.00 0.00 C ATOM 119 C CYS A 11 -3.840 -16.216 5.478 1.00 0.00 C ATOM 120 O CYS A 11 -4.334 -17.024 6.266 1.00 0.00 O ATOM 121 CB CYS A 11 -4.526 -13.971 6.344 1.00 0.00 C ATOM 122 SG CYS A 11 -5.826 -13.878 5.073 1.00 0.00 S ATOM 0 H CYS A 11 -3.006 -13.450 4.443 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.711 -15.011 6.839 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.963 -14.348 7.269 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.162 -12.964 6.551 1.00 0.00 H new ATOM 127 N LEU A 12 -3.712 -16.460 4.179 1.00 0.00 N ATOM 128 CA LEU A 12 -4.151 -17.720 3.589 1.00 0.00 C ATOM 129 C LEU A 12 -5.570 -18.063 4.031 1.00 0.00 C ATOM 130 O LEU A 12 -5.844 -19.183 4.459 1.00 0.00 O ATOM 131 CB LEU A 12 -3.196 -18.848 3.980 1.00 0.00 C ATOM 132 CG LEU A 12 -1.723 -18.633 3.630 1.00 0.00 C ATOM 133 CD1 LEU A 12 -0.828 -19.390 4.600 1.00 0.00 C ATOM 134 CD2 LEU A 12 -1.447 -19.066 2.198 1.00 0.00 C ATOM 0 H LEU A 12 -3.307 -15.802 3.513 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.146 -17.607 2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.274 -19.006 5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.533 -19.766 3.498 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.500 -17.570 3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.217 -19.225 4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.006 -19.032 5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.052 -20.455 4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.394 -18.906 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.687 -20.123 2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.062 -18.479 1.516 1.00 0.00 H new ATOM 146 N GLY A 13 -6.469 -17.090 3.923 1.00 0.00 N ATOM 147 CA GLY A 13 -7.850 -17.309 4.314 1.00 0.00 C ATOM 148 C GLY A 13 -8.782 -17.402 3.121 1.00 0.00 C ATOM 149 O GLY A 13 -8.506 -16.837 2.065 1.00 0.00 O ATOM 0 H GLY A 13 -6.266 -16.154 3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.918 -18.227 4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.174 -16.495 4.962 1.00 0.00 H new ATOM 153 N GLU A 14 -9.889 -18.119 3.293 1.00 0.00 N ATOM 154 CA GLU A 14 -10.863 -18.285 2.220 1.00 0.00 C ATOM 155 C GLU A 14 -11.939 -17.206 2.289 1.00 0.00 C ATOM 156 O GLU A 14 -12.827 -17.252 3.141 1.00 0.00 O ATOM 157 CB GLU A 14 -11.509 -19.670 2.300 1.00 0.00 C ATOM 158 CG GLU A 14 -10.649 -20.778 1.714 1.00 0.00 C ATOM 159 CD GLU A 14 -11.428 -22.057 1.475 1.00 0.00 C ATOM 160 OE1 GLU A 14 -12.643 -21.968 1.198 1.00 0.00 O ATOM 161 OE2 GLU A 14 -10.825 -23.146 1.568 1.00 0.00 O ATOM 0 H GLU A 14 -10.133 -18.593 4.163 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.338 -18.189 1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.724 -19.902 3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.464 -19.647 1.775 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.218 -20.438 0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.818 -20.984 2.389 1.00 0.00 H new ATOM 168 N TYR A 15 -11.851 -16.235 1.387 1.00 0.00 N ATOM 169 CA TYR A 15 -12.814 -15.140 1.347 1.00 0.00 C ATOM 170 C TYR A 15 -13.389 -14.972 -0.056 1.00 0.00 C ATOM 171 O TYR A 15 -12.751 -15.293 -1.059 1.00 0.00 O ATOM 172 CB TYR A 15 -12.156 -13.837 1.801 1.00 0.00 C ATOM 173 CG TYR A 15 -11.340 -13.978 3.066 1.00 0.00 C ATOM 174 CD1 TYR A 15 -11.940 -13.889 4.316 1.00 0.00 C ATOM 175 CD2 TYR A 15 -9.970 -14.202 3.010 1.00 0.00 C ATOM 176 CE1 TYR A 15 -11.198 -14.017 5.475 1.00 0.00 C ATOM 177 CE2 TYR A 15 -9.220 -14.333 4.164 1.00 0.00 C ATOM 178 CZ TYR A 15 -9.839 -14.239 5.393 1.00 0.00 C ATOM 179 OH TYR A 15 -9.096 -14.370 6.545 1.00 0.00 O ATOM 0 H TYR A 15 -11.123 -16.183 0.674 1.00 0.00 H new ATOM 0 HA TYR A 15 -13.630 -15.382 2.028 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.512 -13.468 1.003 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -12.929 -13.086 1.960 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -13.004 -13.717 4.383 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -9.483 -14.275 2.049 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -11.679 -13.944 6.439 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.156 -14.508 4.104 1.00 0.00 H new ATOM 0 HH TYR A 15 -8.145 -14.264 6.335 1.00 0.00 H new ATOM 189 N PRO A 16 -14.624 -14.455 -0.130 1.00 0.00 N ATOM 190 CA PRO A 16 -15.312 -14.229 -1.405 1.00 0.00 C ATOM 191 C PRO A 16 -14.684 -13.098 -2.211 1.00 0.00 C ATOM 192 O PRO A 16 -14.246 -12.092 -1.652 1.00 0.00 O ATOM 193 CB PRO A 16 -16.734 -13.857 -0.979 1.00 0.00 C ATOM 194 CG PRO A 16 -16.584 -13.298 0.395 1.00 0.00 C ATOM 195 CD PRO A 16 -15.443 -14.049 1.024 1.00 0.00 C ATOM 0 HA PRO A 16 -15.262 -15.102 -2.056 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -17.172 -13.126 -1.658 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.389 -14.728 -0.983 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -16.376 -12.229 0.361 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.501 -13.426 0.971 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.881 -13.421 1.715 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.794 -14.911 1.591 1.00 0.00 H new ATOM 203 N VAL A 17 -14.644 -13.269 -3.529 1.00 0.00 N ATOM 204 CA VAL A 17 -14.070 -12.261 -4.413 1.00 0.00 C ATOM 205 C VAL A 17 -14.605 -10.872 -4.084 1.00 0.00 C ATOM 206 O VAL A 17 -13.996 -9.862 -4.433 1.00 0.00 O ATOM 207 CB VAL A 17 -14.367 -12.576 -5.891 1.00 0.00 C ATOM 208 CG1 VAL A 17 -13.638 -13.838 -6.326 1.00 0.00 C ATOM 209 CG2 VAL A 17 -15.866 -12.713 -6.116 1.00 0.00 C ATOM 0 H VAL A 17 -15.002 -14.095 -4.008 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.992 -12.279 -4.255 1.00 0.00 H new ATOM 0 HB VAL A 17 -14.005 -11.748 -6.500 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.860 -14.044 -7.373 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.564 -13.698 -6.204 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -13.967 -14.677 -5.713 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -16.058 -12.936 -7.166 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.254 -13.522 -5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.361 -11.780 -5.847 1.00 0.00 H new ATOM 219 N GLU A 18 -15.750 -10.830 -3.407 1.00 0.00 N ATOM 220 CA GLU A 18 -16.367 -9.563 -3.032 1.00 0.00 C ATOM 221 C GLU A 18 -15.478 -8.791 -2.062 1.00 0.00 C ATOM 222 O GLU A 18 -15.398 -7.564 -2.120 1.00 0.00 O ATOM 223 CB GLU A 18 -17.739 -9.808 -2.398 1.00 0.00 C ATOM 224 CG GLU A 18 -18.784 -10.302 -3.384 1.00 0.00 C ATOM 225 CD GLU A 18 -19.053 -9.308 -4.498 1.00 0.00 C ATOM 226 OE1 GLU A 18 -18.999 -8.089 -4.231 1.00 0.00 O ATOM 227 OE2 GLU A 18 -19.315 -9.750 -5.636 1.00 0.00 O ATOM 0 H GLU A 18 -16.267 -11.657 -3.108 1.00 0.00 H new ATOM 0 HA GLU A 18 -16.492 -8.967 -3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -17.634 -10.538 -1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -18.090 -8.882 -1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -18.452 -11.246 -3.817 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -19.713 -10.505 -2.851 1.00 0.00 H new ATOM 234 N GLN A 19 -14.812 -9.519 -1.171 1.00 0.00 N ATOM 235 CA GLN A 19 -13.929 -8.902 -0.187 1.00 0.00 C ATOM 236 C GLN A 19 -12.467 -9.097 -0.571 1.00 0.00 C ATOM 237 O GLN A 19 -11.630 -9.415 0.274 1.00 0.00 O ATOM 238 CB GLN A 19 -14.188 -9.491 1.201 1.00 0.00 C ATOM 239 CG GLN A 19 -15.435 -8.940 1.873 1.00 0.00 C ATOM 240 CD GLN A 19 -15.721 -9.604 3.205 1.00 0.00 C ATOM 241 OE1 GLN A 19 -14.877 -10.312 3.754 1.00 0.00 O ATOM 242 NE2 GLN A 19 -16.919 -9.380 3.733 1.00 0.00 N ATOM 0 H GLN A 19 -14.867 -10.536 -1.110 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.140 -7.833 -0.165 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.280 -10.574 1.116 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.325 -9.293 1.837 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.318 -7.867 2.024 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -16.290 -9.077 1.212 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.589 -8.786 3.244 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.169 -9.802 4.627 1.00 0.00 H new ATOM 251 N MET A 20 -12.165 -8.905 -1.851 1.00 0.00 N ATOM 252 CA MET A 20 -10.802 -9.059 -2.347 1.00 0.00 C ATOM 253 C MET A 20 -10.457 -7.956 -3.342 1.00 0.00 C ATOM 254 O MET A 20 -11.343 -7.282 -3.869 1.00 0.00 O ATOM 255 CB MET A 20 -10.628 -10.429 -3.005 1.00 0.00 C ATOM 256 CG MET A 20 -11.165 -11.579 -2.168 1.00 0.00 C ATOM 257 SD MET A 20 -10.110 -11.963 -0.757 1.00 0.00 S ATOM 258 CE MET A 20 -8.880 -13.011 -1.528 1.00 0.00 C ATOM 0 H MET A 20 -12.846 -8.642 -2.564 1.00 0.00 H new ATOM 0 HA MET A 20 -10.122 -8.983 -1.498 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.134 -10.426 -3.970 1.00 0.00 H new ATOM 0 HB3 MET A 20 -9.569 -10.597 -3.201 1.00 0.00 H new ATOM 0 HG2 MET A 20 -12.164 -11.328 -1.812 1.00 0.00 H new ATOM 0 HG3 MET A 20 -11.263 -12.465 -2.795 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.985 -14.030 -1.156 1.00 0.00 H new ATOM 0 HE2 MET A 20 -9.021 -13.003 -2.609 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.884 -12.639 -1.290 1.00 0.00 H new ATOM 268 N THR A 21 -9.165 -7.775 -3.594 1.00 0.00 N ATOM 269 CA THR A 21 -8.703 -6.753 -4.524 1.00 0.00 C ATOM 270 C THR A 21 -7.734 -7.336 -5.546 1.00 0.00 C ATOM 271 O THR A 21 -6.607 -7.704 -5.210 1.00 0.00 O ATOM 272 CB THR A 21 -8.014 -5.591 -3.785 1.00 0.00 C ATOM 273 OG1 THR A 21 -8.917 -5.008 -2.839 1.00 0.00 O ATOM 274 CG2 THR A 21 -7.544 -4.527 -4.768 1.00 0.00 C ATOM 0 H THR A 21 -8.419 -8.324 -3.166 1.00 0.00 H new ATOM 0 HA THR A 21 -9.585 -6.374 -5.040 1.00 0.00 H new ATOM 0 HB THR A 21 -7.145 -5.988 -3.260 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.471 -4.271 -2.372 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.060 -3.716 -4.223 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.834 -4.967 -5.469 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.400 -4.135 -5.317 1.00 0.00 H new ATOM 282 N THR A 22 -8.178 -7.419 -6.796 1.00 0.00 N ATOM 283 CA THR A 22 -7.350 -7.959 -7.867 1.00 0.00 C ATOM 284 C THR A 22 -6.481 -6.872 -8.492 1.00 0.00 C ATOM 285 O THR A 22 -6.993 -5.890 -9.031 1.00 0.00 O ATOM 286 CB THR A 22 -8.208 -8.610 -8.968 1.00 0.00 C ATOM 287 OG1 THR A 22 -8.940 -9.716 -8.429 1.00 0.00 O ATOM 288 CG2 THR A 22 -7.340 -9.085 -10.122 1.00 0.00 C ATOM 0 H THR A 22 -9.107 -7.119 -7.092 1.00 0.00 H new ATOM 0 HA THR A 22 -6.710 -8.719 -7.418 1.00 0.00 H new ATOM 0 HB THR A 22 -8.905 -7.861 -9.344 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.484 -10.123 -9.135 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.969 -9.541 -10.887 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.807 -8.236 -10.550 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.621 -9.819 -9.758 1.00 0.00 H new ATOM 296 N ILE A 23 -5.168 -7.055 -8.416 1.00 0.00 N ATOM 297 CA ILE A 23 -4.230 -6.089 -8.976 1.00 0.00 C ATOM 298 C ILE A 23 -4.139 -6.227 -10.492 1.00 0.00 C ATOM 299 O ILE A 23 -4.001 -7.331 -11.018 1.00 0.00 O ATOM 300 CB ILE A 23 -2.823 -6.256 -8.371 1.00 0.00 C ATOM 301 CG1 ILE A 23 -2.904 -6.304 -6.844 1.00 0.00 C ATOM 302 CG2 ILE A 23 -1.916 -5.122 -8.823 1.00 0.00 C ATOM 303 CD1 ILE A 23 -1.619 -6.755 -6.186 1.00 0.00 C ATOM 0 H ILE A 23 -4.729 -7.862 -7.973 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.609 -5.098 -8.726 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.400 -7.197 -8.723 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.166 -5.314 -6.471 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.709 -6.978 -6.552 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.925 -5.253 -8.388 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.839 -5.129 -9.910 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.333 -4.170 -8.495 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.749 -6.765 -5.104 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.366 -7.758 -6.531 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.815 -6.067 -6.448 1.00 0.00 H new ATOM 315 N ALA A 24 -4.215 -5.098 -11.189 1.00 0.00 N ATOM 316 CA ALA A 24 -4.136 -5.093 -12.645 1.00 0.00 C ATOM 317 C ALA A 24 -2.693 -4.950 -13.117 1.00 0.00 C ATOM 318 O ALA A 24 -2.439 -4.537 -14.248 1.00 0.00 O ATOM 319 CB ALA A 24 -4.993 -3.971 -13.214 1.00 0.00 C ATOM 0 H ALA A 24 -4.331 -4.176 -10.769 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.516 -6.048 -13.009 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.926 -3.978 -14.302 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.031 -4.118 -12.914 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.637 -3.013 -12.834 1.00 0.00 H new ATOM 325 N GLN A 25 -1.753 -5.295 -12.243 1.00 0.00 N ATOM 326 CA GLN A 25 -0.335 -5.204 -12.571 1.00 0.00 C ATOM 327 C GLN A 25 0.288 -6.592 -12.681 1.00 0.00 C ATOM 328 O GLN A 25 1.032 -6.877 -13.620 1.00 0.00 O ATOM 329 CB GLN A 25 0.404 -4.383 -11.513 1.00 0.00 C ATOM 330 CG GLN A 25 0.367 -2.886 -11.769 1.00 0.00 C ATOM 331 CD GLN A 25 1.284 -2.465 -12.900 1.00 0.00 C ATOM 332 OE1 GLN A 25 0.960 -2.638 -14.075 1.00 0.00 O ATOM 333 NE2 GLN A 25 2.437 -1.907 -12.551 1.00 0.00 N ATOM 0 H GLN A 25 -1.947 -5.640 -11.303 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.243 -4.706 -13.536 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.034 -4.587 -10.536 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.443 -4.710 -11.471 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.654 -2.586 -12.004 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.653 -2.358 -10.859 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.665 -1.783 -11.565 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.094 -1.603 -13.269 1.00 0.00 H new ATOM 342 N CYS A 26 -0.019 -7.452 -11.716 1.00 0.00 N ATOM 343 CA CYS A 26 0.512 -8.810 -11.704 1.00 0.00 C ATOM 344 C CYS A 26 -0.604 -9.827 -11.480 1.00 0.00 C ATOM 345 O CYS A 26 -0.355 -10.948 -11.038 1.00 0.00 O ATOM 346 CB CYS A 26 1.575 -8.954 -10.613 1.00 0.00 C ATOM 347 SG CYS A 26 1.015 -8.443 -8.957 1.00 0.00 S ATOM 0 H CYS A 26 -0.633 -7.233 -10.932 1.00 0.00 H new ATOM 0 HA CYS A 26 0.968 -9.005 -12.674 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.898 -9.994 -10.571 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.447 -8.361 -10.889 1.00 0.00 H new ATOM 352 N GLN A 27 -1.833 -9.428 -11.790 1.00 0.00 N ATOM 353 CA GLN A 27 -2.986 -10.304 -11.622 1.00 0.00 C ATOM 354 C GLN A 27 -2.928 -11.029 -10.282 1.00 0.00 C ATOM 355 O GLN A 27 -3.162 -12.235 -10.205 1.00 0.00 O ATOM 356 CB GLN A 27 -3.049 -11.321 -12.763 1.00 0.00 C ATOM 357 CG GLN A 27 -3.684 -10.775 -14.031 1.00 0.00 C ATOM 358 CD GLN A 27 -3.092 -9.444 -14.454 1.00 0.00 C ATOM 359 OE1 GLN A 27 -2.174 -9.391 -15.272 1.00 0.00 O ATOM 360 NE2 GLN A 27 -3.616 -8.359 -13.895 1.00 0.00 N ATOM 0 H GLN A 27 -2.056 -8.504 -12.159 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.885 -9.688 -11.642 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.039 -11.662 -12.990 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.613 -12.193 -12.431 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.556 -11.498 -14.837 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.756 -10.658 -13.875 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.376 -8.449 -13.221 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.258 -7.436 -14.140 1.00 0.00 H new ATOM 369 N CYS A 28 -2.617 -10.285 -9.226 1.00 0.00 N ATOM 370 CA CYS A 28 -2.528 -10.855 -7.887 1.00 0.00 C ATOM 371 C CYS A 28 -3.682 -10.373 -7.012 1.00 0.00 C ATOM 372 O CYS A 28 -3.856 -9.172 -6.803 1.00 0.00 O ATOM 373 CB CYS A 28 -1.192 -10.483 -7.239 1.00 0.00 C ATOM 374 SG CYS A 28 0.236 -11.399 -7.901 1.00 0.00 S ATOM 0 H CYS A 28 -2.422 -9.285 -9.272 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.592 -11.939 -7.976 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.020 -9.415 -7.374 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.259 -10.662 -6.166 1.00 0.00 H new ATOM 379 N ILE A 29 -4.466 -11.317 -6.504 1.00 0.00 N ATOM 380 CA ILE A 29 -5.602 -10.989 -5.652 1.00 0.00 C ATOM 381 C ILE A 29 -5.228 -11.091 -4.176 1.00 0.00 C ATOM 382 O ILE A 29 -4.421 -11.934 -3.785 1.00 0.00 O ATOM 383 CB ILE A 29 -6.801 -11.913 -5.932 1.00 0.00 C ATOM 384 CG1 ILE A 29 -8.021 -11.460 -5.127 1.00 0.00 C ATOM 385 CG2 ILE A 29 -6.447 -13.356 -5.599 1.00 0.00 C ATOM 386 CD1 ILE A 29 -9.334 -11.964 -5.685 1.00 0.00 C ATOM 0 H ILE A 29 -4.336 -12.315 -6.668 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.885 -9.962 -5.883 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.046 -11.854 -6.992 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.916 -11.805 -4.098 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.042 -10.371 -5.097 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.305 -13.997 -5.802 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.603 -13.674 -6.211 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.179 -13.431 -4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.155 -11.604 -5.065 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.461 -11.597 -6.704 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.333 -13.054 -5.689 1.00 0.00 H new ATOM 398 N PHE A 30 -5.825 -10.229 -3.360 1.00 0.00 N ATOM 399 CA PHE A 30 -5.556 -10.222 -1.927 1.00 0.00 C ATOM 400 C PHE A 30 -6.751 -9.672 -1.152 1.00 0.00 C ATOM 401 O PHE A 30 -7.440 -8.762 -1.615 1.00 0.00 O ATOM 402 CB PHE A 30 -4.311 -9.387 -1.624 1.00 0.00 C ATOM 403 CG PHE A 30 -3.067 -9.902 -2.289 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.436 -11.044 -1.819 1.00 0.00 C ATOM 405 CD2 PHE A 30 -2.528 -9.247 -3.384 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.291 -11.521 -2.430 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.384 -9.720 -4.000 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.764 -10.858 -3.521 1.00 0.00 C ATOM 0 H PHE A 30 -6.498 -9.526 -3.666 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.381 -11.250 -1.611 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.486 -8.360 -1.944 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.153 -9.363 -0.546 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.843 -11.567 -0.966 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.007 -8.356 -3.761 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.809 -12.411 -2.054 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.976 -9.201 -4.854 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.131 -11.228 -3.999 1.00 0.00 H new ATOM 418 N CYS A 31 -6.991 -10.232 0.029 1.00 0.00 N ATOM 419 CA CYS A 31 -8.102 -9.800 0.868 1.00 0.00 C ATOM 420 C CYS A 31 -7.893 -8.368 1.354 1.00 0.00 C ATOM 421 O CYS A 31 -6.835 -8.029 1.885 1.00 0.00 O ATOM 422 CB CYS A 31 -8.258 -10.739 2.066 1.00 0.00 C ATOM 423 SG CYS A 31 -7.020 -10.482 3.378 1.00 0.00 S ATOM 0 H CYS A 31 -6.431 -10.986 0.426 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.012 -9.832 0.268 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.254 -10.608 2.490 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.194 -11.770 1.717 1.00 0.00 H new ATOM 428 N THR A 32 -8.909 -7.532 1.168 1.00 0.00 N ATOM 429 CA THR A 32 -8.838 -6.138 1.585 1.00 0.00 C ATOM 430 C THR A 32 -7.984 -5.982 2.838 1.00 0.00 C ATOM 431 O THR A 32 -6.948 -5.315 2.818 1.00 0.00 O ATOM 432 CB THR A 32 -10.240 -5.561 1.858 1.00 0.00 C ATOM 433 OG1 THR A 32 -11.093 -5.794 0.733 1.00 0.00 O ATOM 434 CG2 THR A 32 -10.164 -4.068 2.143 1.00 0.00 C ATOM 0 H THR A 32 -9.792 -7.797 0.731 1.00 0.00 H new ATOM 0 HA THR A 32 -8.379 -5.586 0.765 1.00 0.00 H new ATOM 0 HB THR A 32 -10.651 -6.062 2.734 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.983 -5.426 0.915 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.166 -3.682 2.333 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.537 -3.896 3.018 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.735 -3.555 1.283 1.00 0.00 H new ATOM 442 N LEU A 33 -8.424 -6.602 3.929 1.00 0.00 N ATOM 443 CA LEU A 33 -7.698 -6.532 5.192 1.00 0.00 C ATOM 444 C LEU A 33 -6.192 -6.485 4.954 1.00 0.00 C ATOM 445 O LEU A 33 -5.545 -5.466 5.198 1.00 0.00 O ATOM 446 CB LEU A 33 -8.049 -7.734 6.071 1.00 0.00 C ATOM 447 CG LEU A 33 -9.380 -7.654 6.819 1.00 0.00 C ATOM 448 CD1 LEU A 33 -9.938 -9.045 7.066 1.00 0.00 C ATOM 449 CD2 LEU A 33 -9.209 -6.904 8.131 1.00 0.00 C ATOM 0 H LEU A 33 -9.279 -7.158 3.964 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.995 -5.616 5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.061 -8.626 5.444 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.252 -7.869 6.802 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.091 -7.106 6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.885 -8.968 7.599 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.099 -9.547 6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.231 -9.620 7.664 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.166 -6.856 8.650 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.483 -7.424 8.756 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.855 -5.893 7.929 1.00 0.00 H new ATOM 461 N CYS A 34 -5.639 -7.594 4.473 1.00 0.00 N ATOM 462 CA CYS A 34 -4.209 -7.679 4.200 1.00 0.00 C ATOM 463 C CYS A 34 -3.783 -6.610 3.198 1.00 0.00 C ATOM 464 O CYS A 34 -3.099 -5.649 3.553 1.00 0.00 O ATOM 465 CB CYS A 34 -3.854 -9.067 3.664 1.00 0.00 C ATOM 466 SG CYS A 34 -4.177 -10.423 4.837 1.00 0.00 S ATOM 0 H CYS A 34 -6.160 -8.446 4.264 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.674 -7.510 5.134 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.421 -9.248 2.751 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.799 -9.080 3.392 1.00 0.00 H new ATOM 471 N LEU A 35 -4.190 -6.785 1.946 1.00 0.00 N ATOM 472 CA LEU A 35 -3.851 -5.835 0.891 1.00 0.00 C ATOM 473 C LEU A 35 -3.875 -4.405 1.418 1.00 0.00 C ATOM 474 O LEU A 35 -3.170 -3.532 0.911 1.00 0.00 O ATOM 475 CB LEU A 35 -4.823 -5.976 -0.281 1.00 0.00 C ATOM 476 CG LEU A 35 -4.247 -5.693 -1.669 1.00 0.00 C ATOM 477 CD1 LEU A 35 -4.273 -4.200 -1.963 1.00 0.00 C ATOM 478 CD2 LEU A 35 -2.830 -6.234 -1.779 1.00 0.00 C ATOM 0 H LEU A 35 -4.755 -7.576 1.636 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.841 -6.058 0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.223 -6.990 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.663 -5.301 -0.114 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.867 -6.200 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.859 -4.017 -2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.301 -3.840 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.677 -3.672 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.436 -6.023 -2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.199 -5.756 -1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.838 -7.311 -1.612 1.00 0.00 H new ATOM 490 N LYS A 36 -4.691 -4.170 2.441 1.00 0.00 N ATOM 491 CA LYS A 36 -4.806 -2.846 3.041 1.00 0.00 C ATOM 492 C LYS A 36 -3.688 -2.607 4.052 1.00 0.00 C ATOM 493 O LYS A 36 -2.892 -1.681 3.902 1.00 0.00 O ATOM 494 CB LYS A 36 -6.166 -2.689 3.724 1.00 0.00 C ATOM 495 CG LYS A 36 -6.537 -1.246 4.017 1.00 0.00 C ATOM 496 CD LYS A 36 -7.990 -1.118 4.441 1.00 0.00 C ATOM 497 CE LYS A 36 -8.152 -1.309 5.941 1.00 0.00 C ATOM 498 NZ LYS A 36 -9.428 -0.726 6.440 1.00 0.00 N ATOM 0 H LYS A 36 -5.283 -4.880 2.872 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.718 -2.106 2.246 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.935 -3.131 3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.161 -3.251 4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.892 -0.856 4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.361 -0.637 3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.368 -0.137 4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.591 -1.858 3.912 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.122 -2.373 6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.313 -0.844 6.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.501 -0.877 7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.446 0.294 6.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.230 -1.187 5.965 1.00 0.00 H new ATOM 512 N GLN A 37 -3.634 -3.450 5.078 1.00 0.00 N ATOM 513 CA GLN A 37 -2.612 -3.330 6.112 1.00 0.00 C ATOM 514 C GLN A 37 -1.216 -3.347 5.501 1.00 0.00 C ATOM 515 O GLN A 37 -0.272 -2.796 6.069 1.00 0.00 O ATOM 516 CB GLN A 37 -2.752 -4.464 7.129 1.00 0.00 C ATOM 517 CG GLN A 37 -3.704 -4.144 8.270 1.00 0.00 C ATOM 518 CD GLN A 37 -5.142 -4.501 7.947 1.00 0.00 C ATOM 519 OE1 GLN A 37 -5.606 -5.598 8.254 1.00 0.00 O ATOM 520 NE2 GLN A 37 -5.856 -3.571 7.322 1.00 0.00 N ATOM 0 H GLN A 37 -4.285 -4.223 5.216 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.754 -2.376 6.620 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.101 -5.360 6.616 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.770 -4.695 7.541 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.391 -4.686 9.162 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.641 -3.081 8.504 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.431 -2.674 7.086 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.829 -3.754 7.078 1.00 0.00 H new ATOM 529 N TYR A 38 -1.090 -3.983 4.341 1.00 0.00 N ATOM 530 CA TYR A 38 0.193 -4.074 3.655 1.00 0.00 C ATOM 531 C TYR A 38 0.669 -2.696 3.204 1.00 0.00 C ATOM 532 O TYR A 38 1.627 -2.149 3.749 1.00 0.00 O ATOM 533 CB TYR A 38 0.085 -5.008 2.449 1.00 0.00 C ATOM 534 CG TYR A 38 1.308 -4.995 1.560 1.00 0.00 C ATOM 535 CD1 TYR A 38 2.466 -5.670 1.928 1.00 0.00 C ATOM 536 CD2 TYR A 38 1.307 -4.306 0.354 1.00 0.00 C ATOM 537 CE1 TYR A 38 3.586 -5.661 1.120 1.00 0.00 C ATOM 538 CE2 TYR A 38 2.423 -4.293 -0.461 1.00 0.00 C ATOM 539 CZ TYR A 38 3.560 -4.970 -0.074 1.00 0.00 C ATOM 540 OH TYR A 38 4.673 -4.957 -0.882 1.00 0.00 O ATOM 0 H TYR A 38 -1.861 -4.443 3.857 1.00 0.00 H new ATOM 0 HA TYR A 38 0.923 -4.479 4.356 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.086 -6.025 2.802 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.786 -4.725 1.858 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.490 -6.211 2.862 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.420 -3.772 0.048 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.477 -6.192 1.421 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.405 -3.755 -1.397 1.00 0.00 H new ATOM 0 HH TYR A 38 4.446 -4.552 -1.745 1.00 0.00 H new ATOM 550 N VAL A 39 -0.009 -2.142 2.204 1.00 0.00 N ATOM 551 CA VAL A 39 0.341 -0.827 1.679 1.00 0.00 C ATOM 552 C VAL A 39 0.377 0.217 2.791 1.00 0.00 C ATOM 553 O VAL A 39 1.177 1.151 2.751 1.00 0.00 O ATOM 554 CB VAL A 39 -0.653 -0.372 0.595 1.00 0.00 C ATOM 555 CG1 VAL A 39 -0.907 -1.494 -0.400 1.00 0.00 C ATOM 556 CG2 VAL A 39 -1.955 0.094 1.229 1.00 0.00 C ATOM 0 H VAL A 39 -0.804 -2.583 1.741 1.00 0.00 H new ATOM 0 HA VAL A 39 1.333 -0.917 1.236 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.217 0.469 0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.612 -1.155 -1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.031 -1.777 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.323 -2.356 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.646 0.412 0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.398 -0.726 1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.755 0.930 1.899 1.00 0.00 H new ATOM 566 N GLU A 40 -0.494 0.049 3.781 1.00 0.00 N ATOM 567 CA GLU A 40 -0.562 0.978 4.903 1.00 0.00 C ATOM 568 C GLU A 40 0.725 0.935 5.723 1.00 0.00 C ATOM 569 O GLU A 40 1.442 1.931 5.827 1.00 0.00 O ATOM 570 CB GLU A 40 -1.760 0.647 5.795 1.00 0.00 C ATOM 571 CG GLU A 40 -3.039 1.357 5.386 1.00 0.00 C ATOM 572 CD GLU A 40 -4.187 1.087 6.339 1.00 0.00 C ATOM 573 OE1 GLU A 40 -4.186 0.014 6.979 1.00 0.00 O ATOM 574 OE2 GLU A 40 -5.086 1.946 6.444 1.00 0.00 O ATOM 0 H GLU A 40 -1.162 -0.721 3.829 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.684 1.984 4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.930 -0.429 5.776 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.520 0.913 6.824 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.855 2.430 5.340 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.322 1.038 4.383 1.00 0.00 H new ATOM 581 N LEU A 41 1.011 -0.225 6.304 1.00 0.00 N ATOM 582 CA LEU A 41 2.210 -0.399 7.115 1.00 0.00 C ATOM 583 C LEU A 41 3.452 0.068 6.360 1.00 0.00 C ATOM 584 O LEU A 41 4.329 0.719 6.928 1.00 0.00 O ATOM 585 CB LEU A 41 2.368 -1.866 7.520 1.00 0.00 C ATOM 586 CG LEU A 41 1.724 -2.268 8.848 1.00 0.00 C ATOM 587 CD1 LEU A 41 0.269 -2.660 8.637 1.00 0.00 C ATOM 588 CD2 LEU A 41 2.498 -3.409 9.491 1.00 0.00 C ATOM 0 H LEU A 41 0.429 -1.059 6.228 1.00 0.00 H new ATOM 0 HA LEU A 41 2.102 0.210 8.012 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.945 -2.488 6.731 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.432 -2.096 7.571 1.00 0.00 H new ATOM 0 HG LEU A 41 1.754 -1.411 9.520 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.174 -2.943 9.592 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.279 -1.815 8.219 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.216 -3.503 7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.026 -3.682 10.435 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.499 -4.270 8.823 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.525 -3.093 9.677 1.00 0.00 H new ATOM 600 N LEU A 42 3.516 -0.268 5.076 1.00 0.00 N ATOM 601 CA LEU A 42 4.649 0.119 4.241 1.00 0.00 C ATOM 602 C LEU A 42 4.820 1.634 4.224 1.00 0.00 C ATOM 603 O LEU A 42 5.941 2.143 4.266 1.00 0.00 O ATOM 604 CB LEU A 42 4.457 -0.400 2.815 1.00 0.00 C ATOM 605 CG LEU A 42 4.792 -1.875 2.588 1.00 0.00 C ATOM 606 CD1 LEU A 42 4.210 -2.357 1.268 1.00 0.00 C ATOM 607 CD2 LEU A 42 6.297 -2.093 2.620 1.00 0.00 C ATOM 0 H LEU A 42 2.798 -0.807 4.591 1.00 0.00 H new ATOM 0 HA LEU A 42 5.550 -0.325 4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.419 -0.235 2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.074 0.199 2.145 1.00 0.00 H new ATOM 0 HG LEU A 42 4.345 -2.457 3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.458 -3.408 1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.127 -2.239 1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.628 -1.770 0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.515 -3.148 2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.767 -1.500 1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.688 -1.788 3.590 1.00 0.00 H new ATOM 619 N ILE A 43 3.702 2.350 4.163 1.00 0.00 N ATOM 620 CA ILE A 43 3.729 3.808 4.143 1.00 0.00 C ATOM 621 C ILE A 43 4.086 4.369 5.516 1.00 0.00 C ATOM 622 O ILE A 43 4.811 5.358 5.625 1.00 0.00 O ATOM 623 CB ILE A 43 2.375 4.390 3.700 1.00 0.00 C ATOM 624 CG1 ILE A 43 2.081 4.006 2.249 1.00 0.00 C ATOM 625 CG2 ILE A 43 2.368 5.902 3.865 1.00 0.00 C ATOM 626 CD1 ILE A 43 0.637 4.217 1.847 1.00 0.00 C ATOM 0 H ILE A 43 2.767 1.945 4.127 1.00 0.00 H new ATOM 0 HA ILE A 43 4.493 4.100 3.423 1.00 0.00 H new ATOM 0 HB ILE A 43 1.592 3.972 4.333 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.722 4.591 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.342 2.958 2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.404 6.298 3.547 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.537 6.155 4.912 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.158 6.338 3.254 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.503 3.924 0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.010 3.611 2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.377 5.269 1.964 1.00 0.00 H new ATOM 638 N LYS A 44 3.574 3.730 6.563 1.00 0.00 N ATOM 639 CA LYS A 44 3.840 4.163 7.929 1.00 0.00 C ATOM 640 C LYS A 44 5.330 4.080 8.245 1.00 0.00 C ATOM 641 O LYS A 44 5.881 4.956 8.911 1.00 0.00 O ATOM 642 CB LYS A 44 3.048 3.306 8.920 1.00 0.00 C ATOM 643 CG LYS A 44 1.641 3.814 9.175 1.00 0.00 C ATOM 644 CD LYS A 44 1.108 3.332 10.514 1.00 0.00 C ATOM 645 CE LYS A 44 0.891 1.827 10.517 1.00 0.00 C ATOM 646 NZ LYS A 44 0.872 1.271 11.899 1.00 0.00 N ATOM 0 H LYS A 44 2.972 2.910 6.491 1.00 0.00 H new ATOM 0 HA LYS A 44 3.524 5.202 8.023 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.994 2.285 8.542 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.588 3.267 9.866 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.637 4.904 9.152 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.981 3.476 8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.809 3.601 11.304 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.168 3.837 10.736 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.051 1.595 10.019 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.682 1.345 9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.722 0.243 11.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.780 1.470 12.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.101 1.712 12.440 1.00 0.00 H new ATOM 660 N GLU A 45 5.975 3.023 7.762 1.00 0.00 N ATOM 661 CA GLU A 45 7.402 2.827 7.994 1.00 0.00 C ATOM 662 C GLU A 45 8.189 4.082 7.623 1.00 0.00 C ATOM 663 O GLU A 45 8.933 4.625 8.439 1.00 0.00 O ATOM 664 CB GLU A 45 7.913 1.633 7.188 1.00 0.00 C ATOM 665 CG GLU A 45 9.350 1.255 7.504 1.00 0.00 C ATOM 666 CD GLU A 45 9.692 -0.158 7.070 1.00 0.00 C ATOM 667 OE1 GLU A 45 9.235 -1.109 7.735 1.00 0.00 O ATOM 668 OE2 GLU A 45 10.418 -0.309 6.064 1.00 0.00 O ATOM 0 H GLU A 45 5.533 2.290 7.208 1.00 0.00 H new ATOM 0 HA GLU A 45 7.549 2.627 9.055 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.270 0.774 7.380 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.832 1.861 6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.023 1.956 7.010 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.520 1.353 8.576 1.00 0.00 H new ATOM 675 N GLY A 46 8.020 4.534 6.385 1.00 0.00 N ATOM 676 CA GLY A 46 8.722 5.718 5.926 1.00 0.00 C ATOM 677 C GLY A 46 9.759 5.404 4.867 1.00 0.00 C ATOM 678 O GLY A 46 9.619 5.805 3.710 1.00 0.00 O ATOM 0 H GLY A 46 7.410 4.102 5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.002 6.431 5.524 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.208 6.200 6.774 1.00 0.00 H new ATOM 682 N LEU A 47 10.806 4.687 5.260 1.00 0.00 N ATOM 683 CA LEU A 47 11.873 4.321 4.336 1.00 0.00 C ATOM 684 C LEU A 47 11.314 4.019 2.949 1.00 0.00 C ATOM 685 O LEU A 47 11.535 4.774 2.004 1.00 0.00 O ATOM 686 CB LEU A 47 12.637 3.106 4.865 1.00 0.00 C ATOM 687 CG LEU A 47 13.506 2.364 3.848 1.00 0.00 C ATOM 688 CD1 LEU A 47 14.707 3.211 3.455 1.00 0.00 C ATOM 689 CD2 LEU A 47 13.958 1.024 4.409 1.00 0.00 C ATOM 0 H LEU A 47 10.939 4.348 6.213 1.00 0.00 H new ATOM 0 HA LEU A 47 12.556 5.167 4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 47 13.274 3.432 5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.916 2.401 5.280 1.00 0.00 H new ATOM 0 HG LEU A 47 12.909 2.179 2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.314 2.668 2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.364 4.146 3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.305 3.427 4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.575 0.510 3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.538 1.187 5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.085 0.413 4.640 1.00 0.00 H new ATOM 701 N GLU A 48 10.586 2.912 2.838 1.00 0.00 N ATOM 702 CA GLU A 48 9.994 2.513 1.567 1.00 0.00 C ATOM 703 C GLU A 48 9.362 3.709 0.861 1.00 0.00 C ATOM 704 O GLU A 48 8.826 4.613 1.505 1.00 0.00 O ATOM 705 CB GLU A 48 8.942 1.424 1.788 1.00 0.00 C ATOM 706 CG GLU A 48 9.531 0.033 1.957 1.00 0.00 C ATOM 707 CD GLU A 48 10.442 -0.356 0.811 1.00 0.00 C ATOM 708 OE1 GLU A 48 9.976 -0.346 -0.348 1.00 0.00 O ATOM 709 OE2 GLU A 48 11.623 -0.671 1.071 1.00 0.00 O ATOM 0 H GLU A 48 10.392 2.277 3.612 1.00 0.00 H new ATOM 0 HA GLU A 48 10.789 2.118 0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.356 1.671 2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.255 1.418 0.942 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.090 -0.010 2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.722 -0.693 2.036 1.00 0.00 H new ATOM 716 N THR A 49 9.431 3.710 -0.466 1.00 0.00 N ATOM 717 CA THR A 49 8.869 4.795 -1.260 1.00 0.00 C ATOM 718 C THR A 49 7.856 4.269 -2.272 1.00 0.00 C ATOM 719 O THR A 49 6.982 5.004 -2.728 1.00 0.00 O ATOM 720 CB THR A 49 9.969 5.572 -2.009 1.00 0.00 C ATOM 721 OG1 THR A 49 10.896 4.657 -2.603 1.00 0.00 O ATOM 722 CG2 THR A 49 10.707 6.509 -1.064 1.00 0.00 C ATOM 0 H THR A 49 9.871 2.971 -1.014 1.00 0.00 H new ATOM 0 HA THR A 49 8.368 5.468 -0.564 1.00 0.00 H new ATOM 0 HB THR A 49 9.496 6.167 -2.790 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.591 5.158 -3.079 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.479 7.047 -1.614 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.003 7.222 -0.635 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.169 5.930 -0.264 1.00 0.00 H new ATOM 730 N ALA A 50 7.982 2.992 -2.617 1.00 0.00 N ATOM 731 CA ALA A 50 7.075 2.367 -3.573 1.00 0.00 C ATOM 732 C ALA A 50 6.265 1.255 -2.915 1.00 0.00 C ATOM 733 O ALA A 50 6.635 0.748 -1.855 1.00 0.00 O ATOM 734 CB ALA A 50 7.855 1.822 -4.761 1.00 0.00 C ATOM 0 H ALA A 50 8.702 2.370 -2.250 1.00 0.00 H new ATOM 0 HA ALA A 50 6.379 3.127 -3.927 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.166 1.358 -5.467 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.385 2.637 -5.254 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.574 1.079 -4.415 1.00 0.00 H new ATOM 740 N ILE A 51 5.160 0.881 -3.549 1.00 0.00 N ATOM 741 CA ILE A 51 4.298 -0.172 -3.025 1.00 0.00 C ATOM 742 C ILE A 51 4.337 -1.408 -3.916 1.00 0.00 C ATOM 743 O ILE A 51 3.450 -1.618 -4.743 1.00 0.00 O ATOM 744 CB ILE A 51 2.840 0.307 -2.894 1.00 0.00 C ATOM 745 CG1 ILE A 51 2.771 1.568 -2.028 1.00 0.00 C ATOM 746 CG2 ILE A 51 1.971 -0.794 -2.306 1.00 0.00 C ATOM 747 CD1 ILE A 51 3.307 1.369 -0.628 1.00 0.00 C ATOM 0 H ILE A 51 4.840 1.291 -4.426 1.00 0.00 H new ATOM 0 HA ILE A 51 4.678 -0.428 -2.036 1.00 0.00 H new ATOM 0 HB ILE A 51 2.462 0.549 -3.887 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.334 2.364 -2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.735 1.901 -1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.944 -0.440 -2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.000 -1.668 -2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.345 -1.065 -1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.227 2.303 -0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.728 0.595 -0.123 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.353 1.065 -0.678 1.00 0.00 H new ATOM 759 N SER A 52 5.369 -2.226 -3.739 1.00 0.00 N ATOM 760 CA SER A 52 5.524 -3.443 -4.528 1.00 0.00 C ATOM 761 C SER A 52 4.450 -4.464 -4.169 1.00 0.00 C ATOM 762 O SER A 52 3.588 -4.207 -3.328 1.00 0.00 O ATOM 763 CB SER A 52 6.913 -4.045 -4.307 1.00 0.00 C ATOM 764 OG SER A 52 7.089 -4.437 -2.957 1.00 0.00 O ATOM 0 H SER A 52 6.110 -2.069 -3.056 1.00 0.00 H new ATOM 0 HA SER A 52 5.413 -3.182 -5.580 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.047 -4.907 -4.960 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.676 -3.316 -4.580 1.00 0.00 H new ATOM 0 HG SER A 52 7.984 -4.820 -2.842 1.00 0.00 H new ATOM 770 N CYS A 53 4.510 -5.626 -4.811 1.00 0.00 N ATOM 771 CA CYS A 53 3.543 -6.689 -4.561 1.00 0.00 C ATOM 772 C CYS A 53 3.815 -7.367 -3.221 1.00 0.00 C ATOM 773 O CYS A 53 4.955 -7.676 -2.872 1.00 0.00 O ATOM 774 CB CYS A 53 3.588 -7.724 -5.688 1.00 0.00 C ATOM 775 SG CYS A 53 2.401 -9.091 -5.489 1.00 0.00 S ATOM 0 H CYS A 53 5.218 -5.856 -5.508 1.00 0.00 H new ATOM 0 HA CYS A 53 2.549 -6.242 -4.527 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.393 -7.222 -6.636 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.595 -8.137 -5.748 1.00 0.00 H new ATOM 780 N PRO A 54 2.743 -7.605 -2.451 1.00 0.00 N ATOM 781 CA PRO A 54 2.839 -8.250 -1.138 1.00 0.00 C ATOM 782 C PRO A 54 3.213 -9.724 -1.242 1.00 0.00 C ATOM 783 O PRO A 54 3.283 -10.429 -0.235 1.00 0.00 O ATOM 784 CB PRO A 54 1.429 -8.096 -0.563 1.00 0.00 C ATOM 785 CG PRO A 54 0.544 -7.978 -1.756 1.00 0.00 C ATOM 786 CD PRO A 54 1.354 -7.264 -2.803 1.00 0.00 C ATOM 0 HA PRO A 54 3.618 -7.802 -0.520 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.155 -8.955 0.050 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.355 -7.214 0.073 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.230 -8.961 -2.108 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.362 -7.421 -1.516 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.100 -7.602 -3.808 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.185 -6.187 -2.777 1.00 0.00 H new ATOM 794 N ASP A 55 3.455 -10.184 -2.464 1.00 0.00 N ATOM 795 CA ASP A 55 3.826 -11.574 -2.700 1.00 0.00 C ATOM 796 C ASP A 55 5.326 -11.703 -2.946 1.00 0.00 C ATOM 797 O ASP A 55 5.934 -10.852 -3.593 1.00 0.00 O ATOM 798 CB ASP A 55 3.050 -12.136 -3.892 1.00 0.00 C ATOM 799 CG ASP A 55 3.178 -13.643 -4.009 1.00 0.00 C ATOM 800 OD1 ASP A 55 4.042 -14.220 -3.315 1.00 0.00 O ATOM 801 OD2 ASP A 55 2.414 -14.244 -4.792 1.00 0.00 O ATOM 0 H ASP A 55 3.401 -9.614 -3.308 1.00 0.00 H new ATOM 0 HA ASP A 55 3.573 -12.148 -1.809 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.997 -11.870 -3.794 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.412 -11.671 -4.809 1.00 0.00 H new ATOM 806 N ALA A 56 5.916 -12.774 -2.424 1.00 0.00 N ATOM 807 CA ALA A 56 7.344 -13.015 -2.588 1.00 0.00 C ATOM 808 C ALA A 56 7.618 -13.871 -3.820 1.00 0.00 C ATOM 809 O ALA A 56 8.642 -13.709 -4.484 1.00 0.00 O ATOM 810 CB ALA A 56 7.914 -13.680 -1.343 1.00 0.00 C ATOM 0 H ALA A 56 5.427 -13.488 -1.884 1.00 0.00 H new ATOM 0 HA ALA A 56 7.836 -12.053 -2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.981 -13.854 -1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.760 -13.031 -0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.410 -14.632 -1.176 1.00 0.00 H new ATOM 816 N ALA A 57 6.699 -14.783 -4.118 1.00 0.00 N ATOM 817 CA ALA A 57 6.842 -15.664 -5.271 1.00 0.00 C ATOM 818 C ALA A 57 6.114 -15.099 -6.486 1.00 0.00 C ATOM 819 O ALA A 57 5.465 -15.834 -7.230 1.00 0.00 O ATOM 820 CB ALA A 57 6.321 -17.055 -4.940 1.00 0.00 C ATOM 0 H ALA A 57 5.847 -14.931 -3.577 1.00 0.00 H new ATOM 0 HA ALA A 57 7.902 -15.734 -5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.434 -17.702 -5.810 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.888 -17.467 -4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.267 -16.994 -4.668 1.00 0.00 H new ATOM 826 N CYS A 58 6.226 -13.790 -6.681 1.00 0.00 N ATOM 827 CA CYS A 58 5.578 -13.126 -7.806 1.00 0.00 C ATOM 828 C CYS A 58 6.515 -13.054 -9.008 1.00 0.00 C ATOM 829 O CYS A 58 7.483 -12.294 -9.028 1.00 0.00 O ATOM 830 CB CYS A 58 5.133 -11.717 -7.406 1.00 0.00 C ATOM 831 SG CYS A 58 4.022 -10.919 -8.609 1.00 0.00 S ATOM 0 H CYS A 58 6.760 -13.167 -6.074 1.00 0.00 H new ATOM 0 HA CYS A 58 4.702 -13.711 -8.086 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.630 -11.767 -6.440 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.016 -11.092 -7.273 1.00 0.00 H new ATOM 836 N PRO A 59 6.221 -13.863 -10.037 1.00 0.00 N ATOM 837 CA PRO A 59 7.023 -13.909 -11.262 1.00 0.00 C ATOM 838 C PRO A 59 6.884 -12.639 -12.095 1.00 0.00 C ATOM 839 O PRO A 59 7.595 -12.450 -13.082 1.00 0.00 O ATOM 840 CB PRO A 59 6.448 -15.110 -12.018 1.00 0.00 C ATOM 841 CG PRO A 59 5.050 -15.237 -11.519 1.00 0.00 C ATOM 842 CD PRO A 59 5.082 -14.795 -10.082 1.00 0.00 C ATOM 0 HA PRO A 59 8.088 -13.993 -11.048 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.471 -14.947 -13.096 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.023 -16.015 -11.820 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.369 -14.617 -12.103 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.697 -16.265 -11.603 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.152 -14.307 -9.791 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.225 -15.638 -9.406 1.00 0.00 H new ATOM 850 N LYS A 60 5.964 -11.770 -11.690 1.00 0.00 N ATOM 851 CA LYS A 60 5.731 -10.516 -12.397 1.00 0.00 C ATOM 852 C LYS A 60 6.273 -9.334 -11.601 1.00 0.00 C ATOM 853 O LYS A 60 6.483 -8.251 -12.146 1.00 0.00 O ATOM 854 CB LYS A 60 4.236 -10.325 -12.661 1.00 0.00 C ATOM 855 CG LYS A 60 3.914 -9.066 -13.447 1.00 0.00 C ATOM 856 CD LYS A 60 4.322 -9.199 -14.905 1.00 0.00 C ATOM 857 CE LYS A 60 3.455 -8.335 -15.808 1.00 0.00 C ATOM 858 NZ LYS A 60 4.179 -7.925 -17.043 1.00 0.00 N ATOM 0 H LYS A 60 5.367 -11.911 -10.875 1.00 0.00 H new ATOM 0 HA LYS A 60 6.258 -10.562 -13.350 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.858 -11.190 -13.206 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.708 -10.293 -11.708 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.845 -8.860 -13.385 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.429 -8.215 -13.000 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.367 -8.912 -15.019 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.243 -10.242 -15.212 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.554 -8.884 -16.080 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.135 -7.447 -15.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.555 -7.338 -17.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.026 -7.379 -16.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.463 -8.772 -17.576 1.00 0.00 H new ATOM 872 N GLN A 61 6.498 -9.550 -10.308 1.00 0.00 N ATOM 873 CA GLN A 61 7.017 -8.502 -9.438 1.00 0.00 C ATOM 874 C GLN A 61 6.378 -7.156 -9.767 1.00 0.00 C ATOM 875 O GLN A 61 7.074 -6.170 -10.007 1.00 0.00 O ATOM 876 CB GLN A 61 8.538 -8.403 -9.571 1.00 0.00 C ATOM 877 CG GLN A 61 9.283 -9.538 -8.887 1.00 0.00 C ATOM 878 CD GLN A 61 10.714 -9.174 -8.545 1.00 0.00 C ATOM 879 OE1 GLN A 61 11.490 -8.773 -9.414 1.00 0.00 O ATOM 880 NE2 GLN A 61 11.072 -9.309 -7.274 1.00 0.00 N ATOM 0 H GLN A 61 6.329 -10.441 -9.841 1.00 0.00 H new ATOM 0 HA GLN A 61 6.766 -8.762 -8.410 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.802 -8.391 -10.628 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.870 -7.455 -9.149 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.755 -9.816 -7.975 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.280 -10.413 -9.537 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.397 -9.645 -6.587 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.022 -9.077 -6.984 1.00 0.00 H new ATOM 889 N GLY A 62 5.049 -7.124 -9.773 1.00 0.00 N ATOM 890 CA GLY A 62 4.339 -5.895 -10.075 1.00 0.00 C ATOM 891 C GLY A 62 4.239 -4.975 -8.874 1.00 0.00 C ATOM 892 O GLY A 62 4.908 -5.187 -7.862 1.00 0.00 O ATOM 0 H GLY A 62 4.452 -7.927 -9.574 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.848 -5.375 -10.886 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.337 -6.135 -10.430 1.00 0.00 H new ATOM 896 N HIS A 63 3.402 -3.948 -8.986 1.00 0.00 N ATOM 897 CA HIS A 63 3.217 -2.990 -7.900 1.00 0.00 C ATOM 898 C HIS A 63 1.788 -2.457 -7.883 1.00 0.00 C ATOM 899 O HIS A 63 0.969 -2.819 -8.730 1.00 0.00 O ATOM 900 CB HIS A 63 4.205 -1.832 -8.041 1.00 0.00 C ATOM 901 CG HIS A 63 5.576 -2.261 -8.462 1.00 0.00 C ATOM 902 ND1 HIS A 63 5.827 -2.927 -9.644 1.00 0.00 N ATOM 903 CD2 HIS A 63 6.775 -2.115 -7.853 1.00 0.00 C ATOM 904 CE1 HIS A 63 7.121 -3.172 -9.742 1.00 0.00 C ATOM 905 NE2 HIS A 63 7.719 -2.690 -8.669 1.00 0.00 N ATOM 0 H HIS A 63 2.841 -3.758 -9.817 1.00 0.00 H new ATOM 0 HA HIS A 63 3.404 -3.505 -6.958 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.816 -1.121 -8.770 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.274 -1.307 -7.088 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.956 -1.636 -6.902 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.607 -3.681 -10.561 1.00 0.00 H new ATOM 0 HE2 HIS A 63 8.720 -2.737 -8.477 1.00 0.00 H new ATOM 913 N LEU A 64 1.494 -1.597 -6.915 1.00 0.00 N ATOM 914 CA LEU A 64 0.163 -1.015 -6.787 1.00 0.00 C ATOM 915 C LEU A 64 0.146 0.423 -7.296 1.00 0.00 C ATOM 916 O LEU A 64 0.836 1.290 -6.761 1.00 0.00 O ATOM 917 CB LEU A 64 -0.295 -1.056 -5.328 1.00 0.00 C ATOM 918 CG LEU A 64 -0.823 -2.400 -4.828 1.00 0.00 C ATOM 919 CD1 LEU A 64 -2.045 -2.824 -5.626 1.00 0.00 C ATOM 920 CD2 LEU A 64 0.264 -3.462 -4.906 1.00 0.00 C ATOM 0 H LEU A 64 2.160 -1.287 -6.207 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.524 -1.604 -7.394 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.543 -0.760 -4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.076 -0.308 -5.192 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.118 -2.288 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.407 -3.783 -5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.829 -2.074 -5.517 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.777 -2.919 -6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.130 -4.413 -4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.591 -3.573 -5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.110 -3.162 -4.288 1.00 0.00 H new ATOM 932 N GLN A 65 -0.648 0.668 -8.334 1.00 0.00 N ATOM 933 CA GLN A 65 -0.755 2.001 -8.915 1.00 0.00 C ATOM 934 C GLN A 65 -1.423 2.967 -7.941 1.00 0.00 C ATOM 935 O GLN A 65 -2.363 2.602 -7.238 1.00 0.00 O ATOM 936 CB GLN A 65 -1.546 1.948 -10.223 1.00 0.00 C ATOM 937 CG GLN A 65 -2.904 1.279 -10.086 1.00 0.00 C ATOM 938 CD GLN A 65 -3.650 1.197 -11.404 1.00 0.00 C ATOM 939 OE1 GLN A 65 -4.584 1.961 -11.649 1.00 0.00 O ATOM 940 NE2 GLN A 65 -3.240 0.268 -12.260 1.00 0.00 N ATOM 0 H GLN A 65 -1.226 -0.039 -8.789 1.00 0.00 H new ATOM 0 HA GLN A 65 0.252 2.362 -9.123 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.686 2.963 -10.595 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.960 1.413 -10.971 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.771 0.274 -9.685 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.506 1.832 -9.366 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.461 -0.344 -12.015 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.704 0.166 -13.163 1.00 0.00 H new ATOM 949 N GLU A 66 -0.930 4.201 -7.909 1.00 0.00 N ATOM 950 CA GLU A 66 -1.479 5.218 -7.020 1.00 0.00 C ATOM 951 C GLU A 66 -3.003 5.241 -7.094 1.00 0.00 C ATOM 952 O GLU A 66 -3.675 5.663 -6.154 1.00 0.00 O ATOM 953 CB GLU A 66 -0.920 6.597 -7.380 1.00 0.00 C ATOM 954 CG GLU A 66 -1.235 7.669 -6.350 1.00 0.00 C ATOM 955 CD GLU A 66 -2.556 8.364 -6.615 1.00 0.00 C ATOM 956 OE1 GLU A 66 -3.274 7.937 -7.544 1.00 0.00 O ATOM 957 OE2 GLU A 66 -2.871 9.334 -5.895 1.00 0.00 O ATOM 0 H GLU A 66 -0.153 4.520 -8.487 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.186 4.969 -6.000 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.161 6.523 -7.496 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.324 6.903 -8.345 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.259 7.218 -5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.434 8.409 -6.345 1.00 0.00 H new ATOM 964 N ASN A 67 -3.541 4.781 -8.219 1.00 0.00 N ATOM 965 CA ASN A 67 -4.986 4.748 -8.418 1.00 0.00 C ATOM 966 C ASN A 67 -5.661 3.880 -7.360 1.00 0.00 C ATOM 967 O ASN A 67 -6.704 4.244 -6.818 1.00 0.00 O ATOM 968 CB ASN A 67 -5.318 4.222 -9.815 1.00 0.00 C ATOM 969 CG ASN A 67 -6.747 4.523 -10.222 1.00 0.00 C ATOM 970 OD1 ASN A 67 -7.354 5.479 -9.737 1.00 0.00 O ATOM 971 ND2 ASN A 67 -7.292 3.707 -11.116 1.00 0.00 N ATOM 0 H ASN A 67 -2.999 4.426 -9.007 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.364 5.766 -8.322 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.636 4.667 -10.539 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.155 3.145 -9.843 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.251 3.860 -11.428 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.752 2.927 -11.491 1.00 0.00 H new ATOM 978 N GLU A 68 -5.057 2.730 -7.073 1.00 0.00 N ATOM 979 CA GLU A 68 -5.601 1.810 -6.081 1.00 0.00 C ATOM 980 C GLU A 68 -5.436 2.371 -4.672 1.00 0.00 C ATOM 981 O GLU A 68 -6.419 2.673 -3.994 1.00 0.00 O ATOM 982 CB GLU A 68 -4.910 0.449 -6.185 1.00 0.00 C ATOM 983 CG GLU A 68 -5.242 -0.307 -7.460 1.00 0.00 C ATOM 984 CD GLU A 68 -4.622 -1.691 -7.496 1.00 0.00 C ATOM 985 OE1 GLU A 68 -5.065 -2.558 -6.714 1.00 0.00 O ATOM 986 OE2 GLU A 68 -3.696 -1.906 -8.305 1.00 0.00 O ATOM 0 H GLU A 68 -4.193 2.414 -7.513 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.665 1.686 -6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.831 0.594 -6.129 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.195 -0.160 -5.327 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.324 -0.395 -7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.893 0.266 -8.319 1.00 0.00 H new ATOM 993 N ILE A 69 -4.187 2.506 -4.237 1.00 0.00 N ATOM 994 CA ILE A 69 -3.894 3.030 -2.909 1.00 0.00 C ATOM 995 C ILE A 69 -4.777 4.231 -2.584 1.00 0.00 C ATOM 996 O ILE A 69 -5.316 4.337 -1.483 1.00 0.00 O ATOM 997 CB ILE A 69 -2.416 3.446 -2.781 1.00 0.00 C ATOM 998 CG1 ILE A 69 -1.502 2.255 -3.079 1.00 0.00 C ATOM 999 CG2 ILE A 69 -2.140 4.000 -1.392 1.00 0.00 C ATOM 1000 CD1 ILE A 69 -0.171 2.652 -3.679 1.00 0.00 C ATOM 0 H ILE A 69 -3.363 2.260 -4.785 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.101 2.227 -2.201 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.209 4.230 -3.510 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.325 1.703 -2.156 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.013 1.577 -3.763 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.092 4.289 -1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.770 4.872 -1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.360 3.237 -0.646 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.425 1.759 -3.864 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.338 3.178 -4.619 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.360 3.305 -2.987 1.00 0.00 H new ATOM 1012 N GLU A 70 -4.922 5.132 -3.551 1.00 0.00 N ATOM 1013 CA GLU A 70 -5.742 6.324 -3.368 1.00 0.00 C ATOM 1014 C GLU A 70 -6.974 6.012 -2.522 1.00 0.00 C ATOM 1015 O GLU A 70 -7.118 6.514 -1.407 1.00 0.00 O ATOM 1016 CB GLU A 70 -6.170 6.889 -4.723 1.00 0.00 C ATOM 1017 CG GLU A 70 -7.001 8.157 -4.619 1.00 0.00 C ATOM 1018 CD GLU A 70 -7.324 8.755 -5.974 1.00 0.00 C ATOM 1019 OE1 GLU A 70 -8.225 8.224 -6.658 1.00 0.00 O ATOM 1020 OE2 GLU A 70 -6.678 9.754 -6.351 1.00 0.00 O ATOM 0 H GLU A 70 -4.482 5.059 -4.469 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.143 7.069 -2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.281 7.095 -5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.743 6.132 -5.258 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.930 7.936 -4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.462 8.892 -4.021 1.00 0.00 H new ATOM 1027 N CYS A 71 -7.859 5.181 -3.061 1.00 0.00 N ATOM 1028 CA CYS A 71 -9.079 4.803 -2.358 1.00 0.00 C ATOM 1029 C CYS A 71 -8.784 3.772 -1.272 1.00 0.00 C ATOM 1030 O CYS A 71 -9.365 3.816 -0.188 1.00 0.00 O ATOM 1031 CB CYS A 71 -10.108 4.245 -3.343 1.00 0.00 C ATOM 1032 SG CYS A 71 -10.943 5.507 -4.333 1.00 0.00 S ATOM 0 H CYS A 71 -7.754 4.756 -3.982 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.488 5.696 -1.884 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.611 3.544 -4.013 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.857 3.680 -2.788 1.00 0.00 H new ATOM 0 HG CYS A 71 -11.791 4.937 -5.136 1.00 0.00 H new ATOM 1038 N MET A 72 -7.881 2.845 -1.574 1.00 0.00 N ATOM 1039 CA MET A 72 -7.510 1.803 -0.623 1.00 0.00 C ATOM 1040 C MET A 72 -7.345 2.381 0.779 1.00 0.00 C ATOM 1041 O MET A 72 -7.891 1.851 1.747 1.00 0.00 O ATOM 1042 CB MET A 72 -6.213 1.120 -1.063 1.00 0.00 C ATOM 1043 CG MET A 72 -6.122 -0.337 -0.644 1.00 0.00 C ATOM 1044 SD MET A 72 -4.432 -0.965 -0.677 1.00 0.00 S ATOM 1045 CE MET A 72 -4.182 -1.174 -2.438 1.00 0.00 C ATOM 0 H MET A 72 -7.393 2.794 -2.468 1.00 0.00 H new ATOM 0 HA MET A 72 -8.311 1.064 -0.600 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.128 1.184 -2.148 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.366 1.663 -0.645 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.527 -0.448 0.362 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.743 -0.941 -1.306 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.255 -1.720 -2.612 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.017 -1.734 -2.860 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.122 -0.196 -2.916 1.00 0.00 H new ATOM 1055 N VAL A 73 -6.587 3.469 0.881 1.00 0.00 N ATOM 1056 CA VAL A 73 -6.350 4.117 2.164 1.00 0.00 C ATOM 1057 C VAL A 73 -6.980 5.505 2.203 1.00 0.00 C ATOM 1058 O VAL A 73 -7.366 6.052 1.171 1.00 0.00 O ATOM 1059 CB VAL A 73 -4.843 4.241 2.462 1.00 0.00 C ATOM 1060 CG1 VAL A 73 -4.154 2.896 2.292 1.00 0.00 C ATOM 1061 CG2 VAL A 73 -4.208 5.293 1.565 1.00 0.00 C ATOM 0 H VAL A 73 -6.127 3.919 0.090 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.812 3.489 2.925 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.719 4.557 3.498 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.091 3.002 2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.592 2.173 2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.285 2.547 1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.144 5.368 1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.340 5.009 0.521 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.684 6.257 1.742 1.00 0.00 H new ATOM 1071 N ALA A 74 -7.080 6.070 3.403 1.00 0.00 N ATOM 1072 CA ALA A 74 -7.661 7.395 3.576 1.00 0.00 C ATOM 1073 C ALA A 74 -6.652 8.487 3.234 1.00 0.00 C ATOM 1074 O ALA A 74 -5.525 8.198 2.834 1.00 0.00 O ATOM 1075 CB ALA A 74 -8.165 7.568 5.001 1.00 0.00 C ATOM 0 H ALA A 74 -6.766 5.630 4.268 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.503 7.487 2.890 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.596 8.562 5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.925 6.816 5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.335 7.450 5.697 1.00 0.00 H new ATOM 1081 N ALA A 75 -7.065 9.740 3.393 1.00 0.00 N ATOM 1082 CA ALA A 75 -6.197 10.873 3.101 1.00 0.00 C ATOM 1083 C ALA A 75 -5.039 10.946 4.091 1.00 0.00 C ATOM 1084 O ALA A 75 -3.873 10.930 3.699 1.00 0.00 O ATOM 1085 CB ALA A 75 -6.994 12.168 3.121 1.00 0.00 C ATOM 0 H ALA A 75 -7.996 9.996 3.723 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.780 10.732 2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.332 13.006 2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.783 12.122 2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.439 12.306 4.106 1.00 0.00 H new ATOM 1091 N GLU A 76 -5.370 11.028 5.376 1.00 0.00 N ATOM 1092 CA GLU A 76 -4.357 11.106 6.421 1.00 0.00 C ATOM 1093 C GLU A 76 -3.227 10.115 6.160 1.00 0.00 C ATOM 1094 O GLU A 76 -2.092 10.325 6.587 1.00 0.00 O ATOM 1095 CB GLU A 76 -4.983 10.832 7.790 1.00 0.00 C ATOM 1096 CG GLU A 76 -5.828 9.571 7.832 1.00 0.00 C ATOM 1097 CD GLU A 76 -7.286 9.834 7.506 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -7.605 10.001 6.310 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -8.107 9.874 8.447 1.00 0.00 O ATOM 0 H GLU A 76 -6.331 11.042 5.718 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.942 12.114 6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.190 10.752 8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.602 11.683 8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.427 8.846 7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.756 9.123 8.823 1.00 0.00 H new ATOM 1106 N ILE A 77 -3.547 9.035 5.455 1.00 0.00 N ATOM 1107 CA ILE A 77 -2.560 8.012 5.135 1.00 0.00 C ATOM 1108 C ILE A 77 -1.923 8.269 3.774 1.00 0.00 C ATOM 1109 O ILE A 77 -0.700 8.324 3.651 1.00 0.00 O ATOM 1110 CB ILE A 77 -3.187 6.604 5.139 1.00 0.00 C ATOM 1111 CG1 ILE A 77 -3.826 6.311 6.497 1.00 0.00 C ATOM 1112 CG2 ILE A 77 -2.135 5.556 4.804 1.00 0.00 C ATOM 1113 CD1 ILE A 77 -2.839 6.314 7.643 1.00 0.00 C ATOM 0 H ILE A 77 -4.482 8.846 5.095 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.792 8.061 5.907 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.966 6.566 4.377 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.600 7.053 6.693 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.319 5.340 6.455 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.592 4.567 4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.722 5.758 3.816 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.337 5.592 5.545 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.362 6.099 8.575 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.078 5.553 7.470 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.364 7.293 7.711 1.00 0.00 H new ATOM 1125 N MET A 78 -2.762 8.427 2.754 1.00 0.00 N ATOM 1126 CA MET A 78 -2.280 8.682 1.402 1.00 0.00 C ATOM 1127 C MET A 78 -1.179 9.738 1.407 1.00 0.00 C ATOM 1128 O MET A 78 -0.156 9.583 0.740 1.00 0.00 O ATOM 1129 CB MET A 78 -3.433 9.133 0.504 1.00 0.00 C ATOM 1130 CG MET A 78 -3.108 9.071 -0.980 1.00 0.00 C ATOM 1131 SD MET A 78 -2.706 7.404 -1.534 1.00 0.00 S ATOM 1132 CE MET A 78 -1.782 7.755 -3.026 1.00 0.00 C ATOM 0 H MET A 78 -3.778 8.383 2.839 1.00 0.00 H new ATOM 0 HA MET A 78 -1.865 7.754 1.009 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.304 8.508 0.703 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.708 10.155 0.765 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.959 9.444 -1.550 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.268 9.732 -1.192 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.329 6.836 -3.398 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.453 8.161 -3.783 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.000 8.482 -2.807 1.00 0.00 H new ATOM 1142 N GLN A 79 -1.397 10.809 2.163 1.00 0.00 N ATOM 1143 CA GLN A 79 -0.423 11.891 2.252 1.00 0.00 C ATOM 1144 C GLN A 79 0.979 11.342 2.497 1.00 0.00 C ATOM 1145 O GLN A 79 1.917 11.659 1.766 1.00 0.00 O ATOM 1146 CB GLN A 79 -0.807 12.860 3.370 1.00 0.00 C ATOM 1147 CG GLN A 79 -0.140 14.222 3.252 1.00 0.00 C ATOM 1148 CD GLN A 79 -0.810 15.111 2.222 1.00 0.00 C ATOM 1149 OE1 GLN A 79 -0.782 14.825 1.025 1.00 0.00 O ATOM 1150 NE2 GLN A 79 -1.420 16.197 2.685 1.00 0.00 N ATOM 0 H GLN A 79 -2.238 10.951 2.722 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.423 12.426 1.302 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.889 12.993 3.368 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.542 12.417 4.330 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.160 14.718 4.223 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.908 14.087 2.984 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.418 16.395 3.686 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.890 16.832 2.040 1.00 0.00 H new ATOM 1159 N ARG A 80 1.114 10.518 3.531 1.00 0.00 N ATOM 1160 CA ARG A 80 2.402 9.926 3.873 1.00 0.00 C ATOM 1161 C ARG A 80 3.094 9.372 2.631 1.00 0.00 C ATOM 1162 O ARG A 80 4.209 9.773 2.298 1.00 0.00 O ATOM 1163 CB ARG A 80 2.217 8.813 4.906 1.00 0.00 C ATOM 1164 CG ARG A 80 1.638 9.297 6.227 1.00 0.00 C ATOM 1165 CD ARG A 80 1.331 8.136 7.159 1.00 0.00 C ATOM 1166 NE ARG A 80 0.922 8.593 8.484 1.00 0.00 N ATOM 1167 CZ ARG A 80 1.779 8.920 9.446 1.00 0.00 C ATOM 1168 NH1 ARG A 80 3.084 8.842 9.229 1.00 0.00 N ATOM 1169 NH2 ARG A 80 1.329 9.327 10.626 1.00 0.00 N ATOM 0 H ARG A 80 0.348 10.245 4.146 1.00 0.00 H new ATOM 0 HA ARG A 80 3.031 10.708 4.299 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.561 8.048 4.490 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.180 8.339 5.093 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.343 9.975 6.708 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.727 9.865 6.040 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.540 7.523 6.727 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.212 7.501 7.250 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.076 8.665 8.682 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.433 8.531 8.322 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.740 9.093 9.969 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.325 9.389 10.795 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.987 9.578 11.364 1.00 0.00 H new ATOM 1183 N TYR A 81 2.424 8.448 1.951 1.00 0.00 N ATOM 1184 CA TYR A 81 2.975 7.836 0.748 1.00 0.00 C ATOM 1185 C TYR A 81 3.455 8.901 -0.234 1.00 0.00 C ATOM 1186 O TYR A 81 4.612 8.897 -0.656 1.00 0.00 O ATOM 1187 CB TYR A 81 1.928 6.945 0.078 1.00 0.00 C ATOM 1188 CG TYR A 81 2.464 6.160 -1.098 1.00 0.00 C ATOM 1189 CD1 TYR A 81 3.553 5.309 -0.953 1.00 0.00 C ATOM 1190 CD2 TYR A 81 1.882 6.271 -2.355 1.00 0.00 C ATOM 1191 CE1 TYR A 81 4.046 4.591 -2.026 1.00 0.00 C ATOM 1192 CE2 TYR A 81 2.368 5.556 -3.433 1.00 0.00 C ATOM 1193 CZ TYR A 81 3.450 4.718 -3.264 1.00 0.00 C ATOM 1194 OH TYR A 81 3.937 4.005 -4.334 1.00 0.00 O ATOM 0 H TYR A 81 1.499 8.107 2.212 1.00 0.00 H new ATOM 0 HA TYR A 81 3.829 7.225 1.041 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.529 6.250 0.816 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.097 7.565 -0.258 1.00 0.00 H new ATOM 0 HD1 TYR A 81 4.022 5.207 0.015 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.035 6.927 -2.492 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.893 3.934 -1.896 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.903 5.653 -4.403 1.00 0.00 H new ATOM 0 HH TYR A 81 3.404 4.207 -5.131 1.00 0.00 H new ATOM 1204 N LYS A 82 2.558 9.813 -0.593 1.00 0.00 N ATOM 1205 CA LYS A 82 2.887 10.887 -1.523 1.00 0.00 C ATOM 1206 C LYS A 82 4.091 11.683 -1.031 1.00 0.00 C ATOM 1207 O LYS A 82 4.926 12.118 -1.823 1.00 0.00 O ATOM 1208 CB LYS A 82 1.686 11.818 -1.705 1.00 0.00 C ATOM 1209 CG LYS A 82 0.742 11.385 -2.813 1.00 0.00 C ATOM 1210 CD LYS A 82 -0.228 12.493 -3.184 1.00 0.00 C ATOM 1211 CE LYS A 82 -1.222 12.033 -4.239 1.00 0.00 C ATOM 1212 NZ LYS A 82 -2.199 11.051 -3.692 1.00 0.00 N ATOM 0 H LYS A 82 1.596 9.830 -0.254 1.00 0.00 H new ATOM 0 HA LYS A 82 3.139 10.437 -2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.132 11.870 -0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.046 12.824 -1.919 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.319 11.096 -3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.185 10.504 -2.494 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.766 12.820 -2.294 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.327 13.354 -3.556 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.758 12.896 -4.634 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.684 11.583 -5.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.526 10.425 -4.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.742 10.483 -2.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.012 11.558 -3.288 1.00 0.00 H new ATOM 1226 N LYS A 83 4.176 11.869 0.283 1.00 0.00 N ATOM 1227 CA LYS A 83 5.278 12.610 0.881 1.00 0.00 C ATOM 1228 C LYS A 83 6.604 11.891 0.654 1.00 0.00 C ATOM 1229 O LYS A 83 7.628 12.523 0.392 1.00 0.00 O ATOM 1230 CB LYS A 83 5.039 12.797 2.381 1.00 0.00 C ATOM 1231 CG LYS A 83 6.265 13.277 3.137 1.00 0.00 C ATOM 1232 CD LYS A 83 6.152 12.989 4.625 1.00 0.00 C ATOM 1233 CE LYS A 83 5.417 14.102 5.355 1.00 0.00 C ATOM 1234 NZ LYS A 83 3.941 13.906 5.324 1.00 0.00 N ATOM 0 H LYS A 83 3.493 11.516 0.953 1.00 0.00 H new ATOM 0 HA LYS A 83 5.328 13.588 0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.230 13.513 2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.707 11.851 2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.154 12.789 2.738 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.393 14.348 2.982 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.627 12.046 4.775 1.00 0.00 H new ATOM 0 HD3 LYS A 83 7.149 12.870 5.050 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.756 14.143 6.390 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.666 15.061 4.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.484 14.767 4.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.710 13.104 4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.597 13.710 6.286 1.00 0.00 H new ATOM 1248 N LEU A 84 6.578 10.566 0.753 1.00 0.00 N ATOM 1249 CA LEU A 84 7.779 9.761 0.555 1.00 0.00 C ATOM 1250 C LEU A 84 8.218 9.787 -0.904 1.00 0.00 C ATOM 1251 O LEU A 84 9.360 10.127 -1.212 1.00 0.00 O ATOM 1252 CB LEU A 84 7.527 8.318 0.998 1.00 0.00 C ATOM 1253 CG LEU A 84 7.018 8.134 2.428 1.00 0.00 C ATOM 1254 CD1 LEU A 84 6.652 6.680 2.681 1.00 0.00 C ATOM 1255 CD2 LEU A 84 8.061 8.606 3.430 1.00 0.00 C ATOM 0 H LEU A 84 5.739 10.027 0.969 1.00 0.00 H new ATOM 0 HA LEU A 84 8.577 10.188 1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.804 7.871 0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.456 7.758 0.890 1.00 0.00 H new ATOM 0 HG LEU A 84 6.121 8.740 2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.292 6.568 3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.870 6.375 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.531 6.053 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.682 8.468 4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.976 8.027 3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.274 9.662 3.263 1.00 0.00 H new ATOM 1267 N GLN A 85 7.303 9.428 -1.800 1.00 0.00 N ATOM 1268 CA GLN A 85 7.597 9.413 -3.228 1.00 0.00 C ATOM 1269 C GLN A 85 8.100 10.775 -3.695 1.00 0.00 C ATOM 1270 O GLN A 85 9.142 10.875 -4.343 1.00 0.00 O ATOM 1271 CB GLN A 85 6.351 9.016 -4.022 1.00 0.00 C ATOM 1272 CG GLN A 85 6.228 7.519 -4.253 1.00 0.00 C ATOM 1273 CD GLN A 85 7.320 6.975 -5.153 1.00 0.00 C ATOM 1274 OE1 GLN A 85 8.255 6.324 -4.689 1.00 0.00 O ATOM 1275 NE2 GLN A 85 7.205 7.240 -6.449 1.00 0.00 N ATOM 0 H GLN A 85 6.353 9.144 -1.562 1.00 0.00 H new ATOM 0 HA GLN A 85 8.381 8.677 -3.404 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.466 9.367 -3.492 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.368 9.524 -4.986 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.263 7.003 -3.293 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.256 7.302 -4.696 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.412 7.784 -6.790 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.909 6.900 -7.104 1.00 0.00 H new ATOM 1284 N PHE A 86 7.351 11.822 -3.364 1.00 0.00 N ATOM 1285 CA PHE A 86 7.721 13.179 -3.750 1.00 0.00 C ATOM 1286 C PHE A 86 9.217 13.409 -3.566 1.00 0.00 C ATOM 1287 O PHE A 86 9.913 13.813 -4.497 1.00 0.00 O ATOM 1288 CB PHE A 86 6.931 14.199 -2.928 1.00 0.00 C ATOM 1289 CG PHE A 86 7.369 15.618 -3.153 1.00 0.00 C ATOM 1290 CD1 PHE A 86 7.105 16.257 -4.354 1.00 0.00 C ATOM 1291 CD2 PHE A 86 8.046 16.313 -2.164 1.00 0.00 C ATOM 1292 CE1 PHE A 86 7.505 17.562 -4.565 1.00 0.00 C ATOM 1293 CE2 PHE A 86 8.448 17.619 -2.368 1.00 0.00 C ATOM 1294 CZ PHE A 86 8.180 18.244 -3.570 1.00 0.00 C ATOM 0 H PHE A 86 6.485 11.757 -2.830 1.00 0.00 H new ATOM 0 HA PHE A 86 7.480 13.308 -4.805 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.873 14.110 -3.174 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.034 13.959 -1.870 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.580 15.728 -5.135 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.262 15.829 -1.223 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.291 18.048 -5.505 1.00 0.00 H new ATOM 0 HE2 PHE A 86 8.972 18.151 -1.588 1.00 0.00 H new ATOM 0 HZ PHE A 86 8.497 19.264 -3.732 1.00 0.00 H new ATOM 1304 N GLU A 87 9.705 13.147 -2.357 1.00 0.00 N ATOM 1305 CA GLU A 87 11.120 13.327 -2.051 1.00 0.00 C ATOM 1306 C GLU A 87 11.990 12.919 -3.236 1.00 0.00 C ATOM 1307 O GLU A 87 12.851 13.680 -3.678 1.00 0.00 O ATOM 1308 CB GLU A 87 11.504 12.510 -0.816 1.00 0.00 C ATOM 1309 CG GLU A 87 10.926 13.054 0.479 1.00 0.00 C ATOM 1310 CD GLU A 87 11.586 12.461 1.708 1.00 0.00 C ATOM 1311 OE1 GLU A 87 11.255 11.310 2.064 1.00 0.00 O ATOM 1312 OE2 GLU A 87 12.436 13.148 2.315 1.00 0.00 O ATOM 0 H GLU A 87 9.143 12.810 -1.575 1.00 0.00 H new ATOM 0 HA GLU A 87 11.290 14.384 -1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.166 11.483 -0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.591 12.480 -0.734 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.041 14.138 0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.856 12.847 0.510 1.00 0.00 H new ATOM 1319 N ARG A 88 11.759 11.713 -3.744 1.00 0.00 N ATOM 1320 CA ARG A 88 12.523 11.202 -4.877 1.00 0.00 C ATOM 1321 C ARG A 88 11.745 11.373 -6.178 1.00 0.00 C ATOM 1322 O ARG A 88 11.151 10.424 -6.687 1.00 0.00 O ATOM 1323 CB ARG A 88 12.864 9.726 -4.664 1.00 0.00 C ATOM 1324 CG ARG A 88 13.818 9.481 -3.507 1.00 0.00 C ATOM 1325 CD ARG A 88 13.822 8.020 -3.087 1.00 0.00 C ATOM 1326 NE ARG A 88 14.649 7.199 -3.967 1.00 0.00 N ATOM 1327 CZ ARG A 88 15.976 7.166 -3.908 1.00 0.00 C ATOM 1328 NH1 ARG A 88 16.622 7.903 -3.015 1.00 0.00 N ATOM 1329 NH2 ARG A 88 16.660 6.395 -4.743 1.00 0.00 N ATOM 0 H ARG A 88 11.050 11.071 -3.390 1.00 0.00 H new ATOM 0 HA ARG A 88 13.447 11.775 -4.949 1.00 0.00 H new ATOM 0 HB2 ARG A 88 11.943 9.171 -4.488 1.00 0.00 H new ATOM 0 HB3 ARG A 88 13.305 9.329 -5.578 1.00 0.00 H new ATOM 0 HG2 ARG A 88 14.826 9.780 -3.795 1.00 0.00 H new ATOM 0 HG3 ARG A 88 13.531 10.103 -2.659 1.00 0.00 H new ATOM 0 HD2 ARG A 88 14.189 7.938 -2.064 1.00 0.00 H new ATOM 0 HD3 ARG A 88 12.801 7.639 -3.090 1.00 0.00 H new ATOM 0 HE ARG A 88 14.183 6.619 -4.665 1.00 0.00 H new ATOM 0 HH11 ARG A 88 16.100 8.497 -2.371 1.00 0.00 H new ATOM 0 HH12 ARG A 88 17.641 7.876 -2.972 1.00 0.00 H new ATOM 0 HH21 ARG A 88 16.167 5.826 -5.432 1.00 0.00 H new ATOM 0 HH22 ARG A 88 17.679 6.371 -4.696 1.00 0.00 H new ATOM 1343 N SER A 89 11.755 12.592 -6.711 1.00 0.00 N ATOM 1344 CA SER A 89 11.048 12.889 -7.951 1.00 0.00 C ATOM 1345 C SER A 89 11.324 14.319 -8.405 1.00 0.00 C ATOM 1346 O SER A 89 10.850 15.278 -7.798 1.00 0.00 O ATOM 1347 CB SER A 89 9.542 12.683 -7.766 1.00 0.00 C ATOM 1348 OG SER A 89 9.183 11.330 -7.983 1.00 0.00 O ATOM 0 H SER A 89 12.245 13.388 -6.303 1.00 0.00 H new ATOM 0 HA SER A 89 11.410 12.206 -8.719 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.252 12.983 -6.759 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.996 13.323 -8.459 1.00 0.00 H new ATOM 0 HG SER A 89 9.908 10.746 -7.677 1.00 0.00 H new ATOM 1354 N GLY A 90 12.098 14.453 -9.479 1.00 0.00 N ATOM 1355 CA GLY A 90 12.425 15.768 -9.996 1.00 0.00 C ATOM 1356 C GLY A 90 11.220 16.686 -10.054 1.00 0.00 C ATOM 1357 O GLY A 90 10.106 16.264 -10.364 1.00 0.00 O ATOM 0 H GLY A 90 12.503 13.675 -9.999 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.193 16.221 -9.368 1.00 0.00 H new ATOM 0 HA3 GLY A 90 12.849 15.667 -10.995 1.00 0.00 H new ATOM 1361 N PRO A 91 11.437 17.974 -9.748 1.00 0.00 N ATOM 1362 CA PRO A 91 10.370 18.980 -9.759 1.00 0.00 C ATOM 1363 C PRO A 91 9.885 19.295 -11.169 1.00 0.00 C ATOM 1364 O PRO A 91 10.660 19.265 -12.124 1.00 0.00 O ATOM 1365 CB PRO A 91 11.038 20.209 -9.136 1.00 0.00 C ATOM 1366 CG PRO A 91 12.491 20.029 -9.407 1.00 0.00 C ATOM 1367 CD PRO A 91 12.739 18.548 -9.370 1.00 0.00 C ATOM 0 HA PRO A 91 9.483 18.641 -9.223 1.00 0.00 H new ATOM 0 HB2 PRO A 91 10.664 21.131 -9.581 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.839 20.268 -8.066 1.00 0.00 H new ATOM 0 HG2 PRO A 91 12.761 20.446 -10.377 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.094 20.544 -8.659 1.00 0.00 H new ATOM 0 HD2 PRO A 91 13.525 18.255 -10.066 1.00 0.00 H new ATOM 0 HD3 PRO A 91 13.051 18.218 -8.379 1.00 0.00 H new ATOM 1375 N SER A 92 8.596 19.598 -11.292 1.00 0.00 N ATOM 1376 CA SER A 92 8.005 19.915 -12.587 1.00 0.00 C ATOM 1377 C SER A 92 7.185 21.200 -12.509 1.00 0.00 C ATOM 1378 O SER A 92 6.440 21.416 -11.554 1.00 0.00 O ATOM 1379 CB SER A 92 7.122 18.761 -13.066 1.00 0.00 C ATOM 1380 OG SER A 92 6.804 18.898 -14.440 1.00 0.00 O ATOM 0 H SER A 92 7.941 19.631 -10.510 1.00 0.00 H new ATOM 0 HA SER A 92 8.815 20.063 -13.302 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.635 17.814 -12.901 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.204 18.733 -12.478 1.00 0.00 H new ATOM 0 HG SER A 92 6.241 18.147 -14.722 1.00 0.00 H new ATOM 1386 N SER A 93 7.328 22.047 -13.523 1.00 0.00 N ATOM 1387 CA SER A 93 6.604 23.313 -13.569 1.00 0.00 C ATOM 1388 C SER A 93 5.702 23.376 -14.798 1.00 0.00 C ATOM 1389 O SER A 93 5.699 22.470 -15.629 1.00 0.00 O ATOM 1390 CB SER A 93 7.585 24.486 -13.581 1.00 0.00 C ATOM 1391 OG SER A 93 8.078 24.752 -12.279 1.00 0.00 O ATOM 0 H SER A 93 7.938 21.880 -14.323 1.00 0.00 H new ATOM 0 HA SER A 93 5.981 23.381 -12.677 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.416 24.262 -14.249 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.090 25.374 -13.974 1.00 0.00 H new ATOM 0 HG SER A 93 8.704 25.505 -12.314 1.00 0.00 H new ATOM 1397 N GLY A 94 4.935 24.458 -14.904 1.00 0.00 N ATOM 1398 CA GLY A 94 4.037 24.622 -16.034 1.00 0.00 C ATOM 1399 C GLY A 94 3.756 26.078 -16.343 1.00 0.00 C ATOM 1400 O GLY A 94 4.209 26.570 -17.377 1.00 0.00 O ATOM 0 H GLY A 94 4.919 25.223 -14.229 1.00 0.00 H new ATOM 0 HA2 GLY A 94 4.472 24.145 -16.912 1.00 0.00 H new ATOM 0 HA3 GLY A 94 3.098 24.110 -15.825 1.00 0.00 H new TER 1404 GLY A 94 HETATM 1405 ZN ZN A 201 -5.394 -12.085 3.649 1.00 0.00 ZN HETATM 1406 ZN ZN A 401 2.116 -10.039 -7.599 1.00 0.00 ZN