USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 420 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 73 CYS SG : rot 120:sc= -1.1 USER MOD Set 1.2: A 80 SER OG : rot -5:sc= -0.694! USER MOD Set 2.1: A 65 THR OG1 : rot 180:sc= -0.0749 USER MOD Set 2.2: A 68 MET CE :methyl -143:sc= -1.81 (180deg=-2.88!) USER MOD Set 3.1: A 55 HIS : no HD1:sc= -6.18! C(o=-6.4!,f=-5.8!) USER MOD Set 3.2: A 60 THR OG1 : rot 180:sc= -0.254 USER MOD Single : A 47 TYR OH : rot 150:sc= -0.631 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0618 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 76:sc= 0.653 USER MOD Single : A 57 SER OG : rot 80:sc= -0.458 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.508) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 177:sc= -1.08 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.771 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HE2:sc= 0.606 K(o=0.61,f=-3.1!) USER MOD Single : A 96 GLN : amide:sc= -1.02 K(o=-1,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 54 N TYR A 47 -4.366 4.317 6.227 1.00 0.00 N ATOM 55 CA TYR A 47 -4.040 3.014 5.653 1.00 0.00 C ATOM 56 C TYR A 47 -3.901 1.956 6.744 1.00 0.00 C ATOM 57 O TYR A 47 -2.808 1.455 7.006 1.00 0.00 O ATOM 58 CB TYR A 47 -2.747 3.102 4.840 1.00 0.00 C ATOM 59 CG TYR A 47 -2.682 4.314 3.938 1.00 0.00 C ATOM 60 CD1 TYR A 47 -3.443 4.381 2.778 1.00 0.00 C ATOM 61 CD2 TYR A 47 -1.861 5.391 4.248 1.00 0.00 C ATOM 62 CE1 TYR A 47 -3.387 5.487 1.951 1.00 0.00 C ATOM 63 CE2 TYR A 47 -1.800 6.501 3.427 1.00 0.00 C ATOM 64 CZ TYR A 47 -2.565 6.544 2.280 1.00 0.00 C ATOM 65 OH TYR A 47 -2.508 7.647 1.460 1.00 0.00 O ATOM 0 HA TYR A 47 -4.856 2.721 4.993 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.898 3.122 5.524 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.647 2.202 4.233 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.089 3.555 2.518 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.261 5.360 5.145 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.984 5.523 1.052 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.157 7.330 3.682 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.310 8.443 1.996 1.00 0.00 H new ATOM 75 N SER A 48 -5.022 1.619 7.371 1.00 0.00 N ATOM 76 CA SER A 48 -5.033 0.617 8.429 1.00 0.00 C ATOM 77 C SER A 48 -4.859 -0.775 7.842 1.00 0.00 C ATOM 78 O SER A 48 -3.976 -1.528 8.250 1.00 0.00 O ATOM 79 CB SER A 48 -6.340 0.692 9.222 1.00 0.00 C ATOM 80 OG SER A 48 -7.440 0.957 8.369 1.00 0.00 O ATOM 0 H SER A 48 -5.935 2.025 7.165 1.00 0.00 H new ATOM 0 HA SER A 48 -4.201 0.820 9.104 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.503 -0.248 9.750 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.266 1.473 9.978 1.00 0.00 H new ATOM 0 HG SER A 48 -8.263 0.998 8.900 1.00 0.00 H new ATOM 86 N GLU A 49 -5.712 -1.097 6.876 1.00 0.00 N ATOM 87 CA GLU A 49 -5.687 -2.385 6.202 1.00 0.00 C ATOM 88 C GLU A 49 -6.947 -2.565 5.363 1.00 0.00 C ATOM 89 O GLU A 49 -6.895 -3.092 4.255 1.00 0.00 O ATOM 90 CB GLU A 49 -5.584 -3.527 7.211 1.00 0.00 C ATOM 91 CG GLU A 49 -6.776 -3.625 8.149 1.00 0.00 C ATOM 92 CD GLU A 49 -6.412 -4.224 9.493 1.00 0.00 C ATOM 93 OE1 GLU A 49 -5.381 -4.923 9.572 1.00 0.00 O ATOM 94 OE2 GLU A 49 -7.159 -3.993 10.467 1.00 0.00 O ATOM 0 H GLU A 49 -6.441 -0.469 6.539 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.811 -2.408 5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.480 -4.468 6.671 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.678 -3.397 7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.197 -2.631 8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.552 -4.232 7.683 1.00 0.00 H new ATOM 101 N GLU A 50 -8.078 -2.122 5.902 1.00 0.00 N ATOM 102 CA GLU A 50 -9.355 -2.230 5.204 1.00 0.00 C ATOM 103 C GLU A 50 -9.291 -1.557 3.841 1.00 0.00 C ATOM 104 O GLU A 50 -9.563 -2.185 2.818 1.00 0.00 O ATOM 105 CB GLU A 50 -10.476 -1.614 6.044 1.00 0.00 C ATOM 106 CG GLU A 50 -10.141 -0.235 6.594 1.00 0.00 C ATOM 107 CD GLU A 50 -10.602 -0.051 8.027 1.00 0.00 C ATOM 108 OE1 GLU A 50 -10.527 -1.026 8.804 1.00 0.00 O ATOM 109 OE2 GLU A 50 -11.037 1.068 8.372 1.00 0.00 O ATOM 0 H GLU A 50 -8.137 -1.684 6.821 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.568 -3.288 5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.377 -1.544 5.435 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.704 -2.281 6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.064 -0.078 6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.606 0.525 5.966 1.00 0.00 H new ATOM 116 N GLU A 51 -8.918 -0.282 3.823 1.00 0.00 N ATOM 117 CA GLU A 51 -8.811 0.449 2.572 1.00 0.00 C ATOM 118 C GLU A 51 -7.790 -0.233 1.676 1.00 0.00 C ATOM 119 O GLU A 51 -8.017 -0.415 0.481 1.00 0.00 O ATOM 120 CB GLU A 51 -8.407 1.903 2.829 1.00 0.00 C ATOM 121 CG GLU A 51 -9.220 2.911 2.033 1.00 0.00 C ATOM 122 CD GLU A 51 -10.406 3.448 2.811 1.00 0.00 C ATOM 123 OE1 GLU A 51 -10.211 3.884 3.965 1.00 0.00 O ATOM 124 OE2 GLU A 51 -11.530 3.432 2.266 1.00 0.00 O ATOM 0 H GLU A 51 -8.687 0.261 4.655 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.782 0.451 2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.516 2.119 3.892 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.352 2.027 2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.577 3.741 1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.574 2.443 1.115 1.00 0.00 H new ATOM 131 N LEU A 52 -6.675 -0.632 2.277 1.00 0.00 N ATOM 132 CA LEU A 52 -5.621 -1.321 1.551 1.00 0.00 C ATOM 133 C LEU A 52 -6.166 -2.601 0.928 1.00 0.00 C ATOM 134 O LEU A 52 -6.000 -2.842 -0.267 1.00 0.00 O ATOM 135 CB LEU A 52 -4.454 -1.643 2.482 1.00 0.00 C ATOM 136 CG LEU A 52 -3.968 -0.467 3.328 1.00 0.00 C ATOM 137 CD1 LEU A 52 -3.098 -0.955 4.479 1.00 0.00 C ATOM 138 CD2 LEU A 52 -3.211 0.534 2.464 1.00 0.00 C ATOM 0 H LEU A 52 -6.480 -0.489 3.268 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.260 -0.667 0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.751 -2.453 3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.621 -2.011 1.884 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.838 0.035 3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.763 -0.102 5.069 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.676 -1.629 5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.232 -1.484 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.872 1.365 3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.349 0.044 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.869 0.910 1.681 1.00 0.00 H new ATOM 150 N LYS A 53 -6.838 -3.411 1.748 1.00 0.00 N ATOM 151 CA LYS A 53 -7.430 -4.656 1.275 1.00 0.00 C ATOM 152 C LYS A 53 -8.306 -4.384 0.063 1.00 0.00 C ATOM 153 O LYS A 53 -8.188 -5.046 -0.969 1.00 0.00 O ATOM 154 CB LYS A 53 -8.257 -5.312 2.385 1.00 0.00 C ATOM 155 CG LYS A 53 -7.609 -6.556 2.971 1.00 0.00 C ATOM 156 CD LYS A 53 -8.048 -7.813 2.240 1.00 0.00 C ATOM 157 CE LYS A 53 -7.991 -9.033 3.146 1.00 0.00 C ATOM 158 NZ LYS A 53 -8.987 -10.066 2.750 1.00 0.00 N ATOM 0 H LYS A 53 -6.984 -3.225 2.740 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.629 -5.338 0.991 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.420 -4.587 3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.238 -5.575 1.989 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.524 -6.462 2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.868 -6.639 4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.064 -7.682 1.867 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.408 -7.973 1.372 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.990 -9.463 3.113 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.174 -8.729 4.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.916 -10.881 3.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.945 -9.664 2.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.797 -10.376 1.775 1.00 0.00 H new ATOM 172 N THR A 54 -9.174 -3.385 0.192 1.00 0.00 N ATOM 173 CA THR A 54 -10.058 -3.001 -0.899 1.00 0.00 C ATOM 174 C THR A 54 -9.233 -2.630 -2.122 1.00 0.00 C ATOM 175 O THR A 54 -9.542 -3.033 -3.244 1.00 0.00 O ATOM 176 CB THR A 54 -10.949 -1.830 -0.486 1.00 0.00 C ATOM 177 OG1 THR A 54 -11.590 -2.097 0.748 1.00 0.00 O ATOM 178 CG2 THR A 54 -12.024 -1.509 -1.502 1.00 0.00 C ATOM 0 H THR A 54 -9.283 -2.829 1.040 1.00 0.00 H new ATOM 0 HA THR A 54 -10.700 -3.847 -1.144 1.00 0.00 H new ATOM 0 HB THR A 54 -10.280 -0.973 -0.405 1.00 0.00 H new ATOM 0 HG1 THR A 54 -10.947 -1.991 1.480 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.621 -0.669 -1.147 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.560 -1.249 -2.453 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.667 -2.378 -1.638 1.00 0.00 H new ATOM 186 N HIS A 55 -8.165 -1.874 -1.887 1.00 0.00 N ATOM 187 CA HIS A 55 -7.271 -1.461 -2.956 1.00 0.00 C ATOM 188 C HIS A 55 -6.679 -2.688 -3.638 1.00 0.00 C ATOM 189 O HIS A 55 -6.701 -2.805 -4.863 1.00 0.00 O ATOM 190 CB HIS A 55 -6.148 -0.577 -2.406 1.00 0.00 C ATOM 191 CG HIS A 55 -6.636 0.569 -1.576 1.00 0.00 C ATOM 192 ND1 HIS A 55 -7.896 1.114 -1.709 1.00 0.00 N ATOM 193 CD2 HIS A 55 -6.025 1.277 -0.596 1.00 0.00 C ATOM 194 CE1 HIS A 55 -8.038 2.107 -0.849 1.00 0.00 C ATOM 195 NE2 HIS A 55 -6.917 2.226 -0.161 1.00 0.00 N ATOM 0 H HIS A 55 -7.900 -1.536 -0.962 1.00 0.00 H new ATOM 0 HA HIS A 55 -7.841 -0.884 -3.684 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.477 -1.190 -1.804 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -5.563 -0.187 -3.239 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -5.022 1.124 -0.226 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.921 2.718 -0.729 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -6.742 2.911 0.574 1.00 0.00 H new ATOM 204 N ILE A 56 -6.161 -3.605 -2.826 1.00 0.00 N ATOM 205 CA ILE A 56 -5.571 -4.837 -3.336 1.00 0.00 C ATOM 206 C ILE A 56 -6.569 -5.605 -4.198 1.00 0.00 C ATOM 207 O ILE A 56 -6.243 -6.049 -5.299 1.00 0.00 O ATOM 208 CB ILE A 56 -5.079 -5.747 -2.191 1.00 0.00 C ATOM 209 CG1 ILE A 56 -4.099 -4.990 -1.294 1.00 0.00 C ATOM 210 CG2 ILE A 56 -4.428 -7.005 -2.748 1.00 0.00 C ATOM 211 CD1 ILE A 56 -4.098 -5.471 0.141 1.00 0.00 C ATOM 0 H ILE A 56 -6.138 -3.517 -1.810 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.715 -4.550 -3.946 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.940 -6.044 -1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.093 -5.090 -1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.347 -3.929 -1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.088 -7.634 -1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.153 -7.554 -3.349 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.576 -6.729 -3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.380 -4.890 0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.093 -5.346 0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.820 -6.525 0.171 1.00 0.00 H new ATOM 223 N SER A 57 -7.788 -5.761 -3.686 1.00 0.00 N ATOM 224 CA SER A 57 -8.838 -6.479 -4.403 1.00 0.00 C ATOM 225 C SER A 57 -9.036 -5.916 -5.809 1.00 0.00 C ATOM 226 O SER A 57 -8.614 -6.519 -6.795 1.00 0.00 O ATOM 227 CB SER A 57 -10.153 -6.415 -3.623 1.00 0.00 C ATOM 228 OG SER A 57 -10.122 -5.381 -2.655 1.00 0.00 O ATOM 0 H SER A 57 -8.073 -5.399 -2.776 1.00 0.00 H new ATOM 0 HA SER A 57 -8.527 -7.520 -4.496 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.981 -6.247 -4.312 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.335 -7.371 -3.133 1.00 0.00 H new ATOM 0 HG SER A 57 -10.303 -4.521 -3.089 1.00 0.00 H new ATOM 234 N LYS A 58 -9.686 -4.759 -5.891 1.00 0.00 N ATOM 235 CA LYS A 58 -9.947 -4.118 -7.175 1.00 0.00 C ATOM 236 C LYS A 58 -8.645 -3.765 -7.889 1.00 0.00 C ATOM 237 O LYS A 58 -8.278 -4.398 -8.879 1.00 0.00 O ATOM 238 CB LYS A 58 -10.792 -2.858 -6.974 1.00 0.00 C ATOM 239 CG LYS A 58 -12.090 -3.111 -6.226 1.00 0.00 C ATOM 240 CD LYS A 58 -12.761 -1.809 -5.814 1.00 0.00 C ATOM 241 CE LYS A 58 -14.218 -1.769 -6.248 1.00 0.00 C ATOM 242 NZ LYS A 58 -14.414 -0.926 -7.460 1.00 0.00 N ATOM 0 H LYS A 58 -10.041 -4.247 -5.084 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.497 -4.823 -7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.205 -2.120 -6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.022 -2.425 -7.948 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.768 -3.687 -6.856 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.889 -3.714 -5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.700 -1.694 -4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.226 -0.968 -6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.564 -2.782 -6.451 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.829 -1.381 -5.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.420 -0.925 -7.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.108 0.047 -7.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.851 -1.311 -8.245 1.00 0.00 H new ATOM 256 N GLY A 59 -7.952 -2.752 -7.381 1.00 0.00 N ATOM 257 CA GLY A 59 -6.700 -2.334 -7.985 1.00 0.00 C ATOM 258 C GLY A 59 -6.507 -0.830 -7.944 1.00 0.00 C ATOM 259 O GLY A 59 -6.009 -0.236 -8.901 1.00 0.00 O ATOM 0 H GLY A 59 -8.234 -2.213 -6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.872 -2.817 -7.467 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.669 -2.673 -9.021 1.00 0.00 H new ATOM 263 N THR A 60 -6.897 -0.214 -6.833 1.00 0.00 N ATOM 264 CA THR A 60 -6.759 1.229 -6.668 1.00 0.00 C ATOM 265 C THR A 60 -5.523 1.571 -5.839 1.00 0.00 C ATOM 266 O THR A 60 -5.133 2.734 -5.743 1.00 0.00 O ATOM 267 CB THR A 60 -8.009 1.809 -6.005 1.00 0.00 C ATOM 268 OG1 THR A 60 -8.595 0.863 -5.129 1.00 0.00 O ATOM 269 CG2 THR A 60 -9.069 2.234 -6.998 1.00 0.00 C ATOM 0 H THR A 60 -7.311 -0.692 -6.033 1.00 0.00 H new ATOM 0 HA THR A 60 -6.641 1.671 -7.657 1.00 0.00 H new ATOM 0 HB THR A 60 -7.668 2.691 -5.463 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.392 1.252 -4.713 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.929 2.636 -6.462 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.662 3.000 -7.659 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.380 1.373 -7.589 1.00 0.00 H new ATOM 277 N LEU A 61 -4.909 0.553 -5.242 1.00 0.00 N ATOM 278 CA LEU A 61 -3.718 0.754 -4.426 1.00 0.00 C ATOM 279 C LEU A 61 -2.597 1.380 -5.254 1.00 0.00 C ATOM 280 O LEU A 61 -1.676 1.990 -4.711 1.00 0.00 O ATOM 281 CB LEU A 61 -3.257 -0.578 -3.827 1.00 0.00 C ATOM 282 CG LEU A 61 -2.902 -0.530 -2.339 1.00 0.00 C ATOM 283 CD1 LEU A 61 -2.881 -1.932 -1.750 1.00 0.00 C ATOM 284 CD2 LEU A 61 -1.560 0.161 -2.132 1.00 0.00 C ATOM 0 H LEU A 61 -5.217 -0.417 -5.308 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.967 1.437 -3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.045 -1.317 -3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.386 -0.927 -4.382 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.667 0.047 -1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.627 -1.878 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.864 -2.389 -1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.137 -2.535 -2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.324 0.186 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.782 -0.388 -2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.612 1.180 -2.516 1.00 0.00 H new ATOM 296 N GLY A 62 -2.687 1.230 -6.575 1.00 0.00 N ATOM 297 CA GLY A 62 -1.681 1.790 -7.458 1.00 0.00 C ATOM 298 C GLY A 62 -2.070 3.155 -7.989 1.00 0.00 C ATOM 299 O GLY A 62 -1.499 3.632 -8.970 1.00 0.00 O ATOM 0 H GLY A 62 -3.440 0.730 -7.047 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.735 1.868 -6.922 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.518 1.111 -8.295 1.00 0.00 H new ATOM 303 N LYS A 63 -3.041 3.790 -7.338 1.00 0.00 N ATOM 304 CA LYS A 63 -3.497 5.109 -7.749 1.00 0.00 C ATOM 305 C LYS A 63 -2.741 6.190 -6.987 1.00 0.00 C ATOM 306 O LYS A 63 -2.096 7.052 -7.583 1.00 0.00 O ATOM 307 CB LYS A 63 -5.001 5.250 -7.509 1.00 0.00 C ATOM 308 CG LYS A 63 -5.747 5.873 -8.679 1.00 0.00 C ATOM 309 CD LYS A 63 -7.007 5.091 -9.022 1.00 0.00 C ATOM 310 CE LYS A 63 -8.237 5.984 -9.027 1.00 0.00 C ATOM 311 NZ LYS A 63 -9.495 5.196 -9.141 1.00 0.00 N ATOM 0 H LYS A 63 -3.525 3.410 -6.524 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.300 5.228 -8.814 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.422 4.266 -7.303 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.163 5.859 -6.619 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.012 6.902 -8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.093 5.910 -9.550 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.891 4.625 -10.001 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.144 4.286 -8.300 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.260 6.575 -8.111 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.172 6.687 -9.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.262 5.813 -9.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.357 4.417 -9.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.746 4.807 -8.210 1.00 0.00 H new ATOM 325 N PHE A 64 -2.823 6.130 -5.661 1.00 0.00 N ATOM 326 CA PHE A 64 -2.146 7.096 -4.803 1.00 0.00 C ATOM 327 C PHE A 64 -0.687 7.271 -5.214 1.00 0.00 C ATOM 328 O PHE A 64 -0.123 6.432 -5.917 1.00 0.00 O ATOM 329 CB PHE A 64 -2.225 6.653 -3.341 1.00 0.00 C ATOM 330 CG PHE A 64 -3.623 6.350 -2.881 1.00 0.00 C ATOM 331 CD1 PHE A 64 -4.633 7.285 -3.032 1.00 0.00 C ATOM 332 CD2 PHE A 64 -3.926 5.129 -2.299 1.00 0.00 C ATOM 333 CE1 PHE A 64 -5.921 7.009 -2.611 1.00 0.00 C ATOM 334 CE2 PHE A 64 -5.211 4.848 -1.876 1.00 0.00 C ATOM 335 CZ PHE A 64 -6.210 5.789 -2.033 1.00 0.00 C ATOM 0 H PHE A 64 -3.354 5.420 -5.156 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.651 8.056 -4.916 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.606 5.766 -3.204 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.805 7.436 -2.709 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.412 8.241 -3.484 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.149 4.389 -2.175 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.700 7.747 -2.734 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.434 3.893 -1.423 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.215 5.571 -1.704 1.00 0.00 H new ATOM 345 N THR A 65 -0.081 8.365 -4.768 1.00 0.00 N ATOM 346 CA THR A 65 1.312 8.651 -5.083 1.00 0.00 C ATOM 347 C THR A 65 2.244 7.736 -4.297 1.00 0.00 C ATOM 348 O THR A 65 1.796 6.828 -3.597 1.00 0.00 O ATOM 349 CB THR A 65 1.632 10.115 -4.776 1.00 0.00 C ATOM 350 OG1 THR A 65 1.326 10.424 -3.428 1.00 0.00 O ATOM 351 CG2 THR A 65 0.874 11.088 -5.653 1.00 0.00 C ATOM 0 H THR A 65 -0.534 9.069 -4.186 1.00 0.00 H new ATOM 0 HA THR A 65 1.467 8.468 -6.146 1.00 0.00 H new ATOM 0 HB THR A 65 2.698 10.226 -4.973 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.539 11.364 -3.251 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.146 12.109 -5.384 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.126 10.909 -6.698 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.197 10.949 -5.509 1.00 0.00 H new ATOM 359 N VAL A 66 3.542 7.981 -4.421 1.00 0.00 N ATOM 360 CA VAL A 66 4.542 7.182 -3.727 1.00 0.00 C ATOM 361 C VAL A 66 4.610 7.547 -2.242 1.00 0.00 C ATOM 362 O VAL A 66 4.444 6.681 -1.383 1.00 0.00 O ATOM 363 CB VAL A 66 5.934 7.358 -4.370 1.00 0.00 C ATOM 364 CG1 VAL A 66 7.003 6.627 -3.569 1.00 0.00 C ATOM 365 CG2 VAL A 66 5.916 6.876 -5.813 1.00 0.00 C ATOM 0 H VAL A 66 3.927 8.729 -4.998 1.00 0.00 H new ATOM 0 HA VAL A 66 4.241 6.138 -3.816 1.00 0.00 H new ATOM 0 HB VAL A 66 6.181 8.420 -4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.974 6.768 -4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.034 7.026 -2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.767 5.563 -3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.905 7.007 -6.253 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.643 5.821 -5.841 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.187 7.454 -6.381 1.00 0.00 H new ATOM 375 N PRO A 67 4.849 8.832 -1.906 1.00 0.00 N ATOM 376 CA PRO A 67 4.925 9.273 -0.511 1.00 0.00 C ATOM 377 C PRO A 67 3.727 8.794 0.303 1.00 0.00 C ATOM 378 O PRO A 67 3.828 8.586 1.511 1.00 0.00 O ATOM 379 CB PRO A 67 4.942 10.807 -0.600 1.00 0.00 C ATOM 380 CG PRO A 67 4.631 11.138 -2.023 1.00 0.00 C ATOM 381 CD PRO A 67 5.058 9.950 -2.835 1.00 0.00 C ATOM 0 HA PRO A 67 5.801 8.867 -0.006 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.205 11.245 0.073 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.915 11.204 -0.310 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.567 11.335 -2.153 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.162 12.036 -2.338 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.460 9.842 -3.740 1.00 0.00 H new ATOM 0 HD3 PRO A 67 6.099 10.027 -3.148 1.00 0.00 H new ATOM 389 N MET A 68 2.596 8.610 -0.373 1.00 0.00 N ATOM 390 CA MET A 68 1.382 8.142 0.284 1.00 0.00 C ATOM 391 C MET A 68 1.447 6.633 0.487 1.00 0.00 C ATOM 392 O MET A 68 1.089 6.120 1.548 1.00 0.00 O ATOM 393 CB MET A 68 0.150 8.512 -0.544 1.00 0.00 C ATOM 394 CG MET A 68 -0.626 9.693 0.018 1.00 0.00 C ATOM 395 SD MET A 68 -0.632 11.116 -1.090 1.00 0.00 S ATOM 396 CE MET A 68 -1.591 10.474 -2.460 1.00 0.00 C ATOM 0 H MET A 68 2.496 8.778 -1.374 1.00 0.00 H new ATOM 0 HA MET A 68 1.302 8.626 1.257 1.00 0.00 H new ATOM 0 HB2 MET A 68 0.463 8.744 -1.562 1.00 0.00 H new ATOM 0 HB3 MET A 68 -0.511 7.648 -0.603 1.00 0.00 H new ATOM 0 HG2 MET A 68 -1.654 9.387 0.214 1.00 0.00 H new ATOM 0 HG3 MET A 68 -0.192 9.985 0.975 1.00 0.00 H new ATOM 0 HE1 MET A 68 -1.185 10.854 -3.398 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.543 9.385 -2.459 1.00 0.00 H new ATOM 0 HE3 MET A 68 -2.629 10.792 -2.358 1.00 0.00 H new ATOM 406 N LEU A 69 1.923 5.930 -0.536 1.00 0.00 N ATOM 407 CA LEU A 69 2.058 4.481 -0.475 1.00 0.00 C ATOM 408 C LEU A 69 3.011 4.092 0.647 1.00 0.00 C ATOM 409 O LEU A 69 2.744 3.164 1.410 1.00 0.00 O ATOM 410 CB LEU A 69 2.551 3.948 -1.820 1.00 0.00 C ATOM 411 CG LEU A 69 1.441 3.588 -2.810 1.00 0.00 C ATOM 412 CD1 LEU A 69 2.014 3.338 -4.196 1.00 0.00 C ATOM 413 CD2 LEU A 69 0.668 2.373 -2.324 1.00 0.00 C ATOM 0 H LEU A 69 2.222 6.343 -1.419 1.00 0.00 H new ATOM 0 HA LEU A 69 1.085 4.037 -0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.198 4.697 -2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.162 3.063 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 69 0.754 4.432 -2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.207 3.084 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.520 4.237 -4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.726 2.514 -4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.117 2.131 -3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.346 1.525 -2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.220 2.591 -1.354 1.00 0.00 H new ATOM 425 N LYS A 70 4.113 4.827 0.759 1.00 0.00 N ATOM 426 CA LYS A 70 5.096 4.581 1.808 1.00 0.00 C ATOM 427 C LYS A 70 4.423 4.593 3.177 1.00 0.00 C ATOM 428 O LYS A 70 4.818 3.862 4.086 1.00 0.00 O ATOM 429 CB LYS A 70 6.198 5.640 1.761 1.00 0.00 C ATOM 430 CG LYS A 70 7.102 5.524 0.546 1.00 0.00 C ATOM 431 CD LYS A 70 8.207 4.508 0.776 1.00 0.00 C ATOM 432 CE LYS A 70 9.470 4.873 0.012 1.00 0.00 C ATOM 433 NZ LYS A 70 10.502 5.474 0.901 1.00 0.00 N ATOM 0 H LYS A 70 4.348 5.599 0.135 1.00 0.00 H new ATOM 0 HA LYS A 70 5.541 3.600 1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.740 6.629 1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.804 5.562 2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.512 5.232 -0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.540 6.497 0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.430 4.447 1.841 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.865 3.521 0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.876 3.981 -0.465 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.223 5.575 -0.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.347 5.709 0.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.124 6.339 1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.757 4.794 1.646 1.00 0.00 H new ATOM 447 N GLU A 71 3.400 5.434 3.311 1.00 0.00 N ATOM 448 CA GLU A 71 2.657 5.555 4.561 1.00 0.00 C ATOM 449 C GLU A 71 2.125 4.200 5.011 1.00 0.00 C ATOM 450 O GLU A 71 2.399 3.754 6.126 1.00 0.00 O ATOM 451 CB GLU A 71 1.500 6.543 4.398 1.00 0.00 C ATOM 452 CG GLU A 71 1.300 7.449 5.602 1.00 0.00 C ATOM 453 CD GLU A 71 0.038 7.122 6.377 1.00 0.00 C ATOM 454 OE1 GLU A 71 0.004 6.061 7.036 1.00 0.00 O ATOM 455 OE2 GLU A 71 -0.916 7.926 6.325 1.00 0.00 O ATOM 0 H GLU A 71 3.066 6.044 2.565 1.00 0.00 H new ATOM 0 HA GLU A 71 3.339 5.929 5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.680 7.158 3.517 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.581 5.986 4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.161 7.362 6.264 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.258 8.486 5.268 1.00 0.00 H new ATOM 462 N ALA A 72 1.371 3.541 4.135 1.00 0.00 N ATOM 463 CA ALA A 72 0.814 2.231 4.449 1.00 0.00 C ATOM 464 C ALA A 72 1.925 1.256 4.813 1.00 0.00 C ATOM 465 O ALA A 72 1.823 0.514 5.790 1.00 0.00 O ATOM 466 CB ALA A 72 0.008 1.702 3.272 1.00 0.00 C ATOM 0 H ALA A 72 1.133 3.891 3.207 1.00 0.00 H new ATOM 0 HA ALA A 72 0.149 2.333 5.306 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.401 0.723 3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.807 2.391 3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.655 1.613 2.399 1.00 0.00 H new ATOM 472 N CYS A 73 2.994 1.277 4.025 1.00 0.00 N ATOM 473 CA CYS A 73 4.138 0.410 4.266 1.00 0.00 C ATOM 474 C CYS A 73 4.750 0.704 5.630 1.00 0.00 C ATOM 475 O CYS A 73 5.090 -0.209 6.381 1.00 0.00 O ATOM 476 CB CYS A 73 5.183 0.598 3.166 1.00 0.00 C ATOM 477 SG CYS A 73 4.653 0.007 1.542 1.00 0.00 S ATOM 0 H CYS A 73 3.091 1.886 3.213 1.00 0.00 H new ATOM 0 HA CYS A 73 3.798 -0.626 4.254 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.432 1.657 3.093 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.095 0.075 3.452 1.00 0.00 H new ATOM 0 HG CYS A 73 4.660 0.995 0.697 1.00 0.00 H new ATOM 483 N ARG A 74 4.878 1.990 5.946 1.00 0.00 N ATOM 484 CA ARG A 74 5.439 2.411 7.224 1.00 0.00 C ATOM 485 C ARG A 74 4.582 1.901 8.376 1.00 0.00 C ATOM 486 O ARG A 74 5.095 1.539 9.435 1.00 0.00 O ATOM 487 CB ARG A 74 5.543 3.936 7.282 1.00 0.00 C ATOM 488 CG ARG A 74 6.796 4.435 7.984 1.00 0.00 C ATOM 489 CD ARG A 74 6.482 4.980 9.368 1.00 0.00 C ATOM 490 NE ARG A 74 7.415 6.031 9.767 1.00 0.00 N ATOM 491 CZ ARG A 74 7.338 7.291 9.342 1.00 0.00 C ATOM 492 NH1 ARG A 74 6.375 7.660 8.507 1.00 0.00 N ATOM 493 NH2 ARG A 74 8.227 8.184 9.754 1.00 0.00 N ATOM 0 H ARG A 74 4.601 2.757 5.334 1.00 0.00 H new ATOM 0 HA ARG A 74 6.439 1.986 7.318 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.524 4.332 6.267 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.667 4.332 7.795 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.516 3.621 8.068 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.265 5.214 7.383 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.466 5.374 9.381 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.518 4.168 10.094 1.00 0.00 H new ATOM 0 HE ARG A 74 8.169 5.786 10.408 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.688 6.977 8.187 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.322 8.626 8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.969 7.906 10.396 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.169 9.149 9.429 1.00 0.00 H new ATOM 507 N ALA A 75 3.270 1.870 8.157 1.00 0.00 N ATOM 508 CA ALA A 75 2.337 1.398 9.172 1.00 0.00 C ATOM 509 C ALA A 75 2.376 -0.122 9.271 1.00 0.00 C ATOM 510 O ALA A 75 2.170 -0.692 10.343 1.00 0.00 O ATOM 511 CB ALA A 75 0.927 1.874 8.856 1.00 0.00 C ATOM 0 H ALA A 75 2.831 2.166 7.285 1.00 0.00 H new ATOM 0 HA ALA A 75 2.636 1.812 10.135 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.241 1.514 9.623 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.907 2.964 8.834 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.621 1.486 7.884 1.00 0.00 H new ATOM 517 N TYR A 76 2.648 -0.771 8.144 1.00 0.00 N ATOM 518 CA TYR A 76 2.723 -2.227 8.096 1.00 0.00 C ATOM 519 C TYR A 76 4.106 -2.717 8.517 1.00 0.00 C ATOM 520 O TYR A 76 4.265 -3.857 8.953 1.00 0.00 O ATOM 521 CB TYR A 76 2.403 -2.731 6.687 1.00 0.00 C ATOM 522 CG TYR A 76 0.935 -3.015 6.464 1.00 0.00 C ATOM 523 CD1 TYR A 76 -0.038 -2.113 6.876 1.00 0.00 C ATOM 524 CD2 TYR A 76 0.522 -4.185 5.841 1.00 0.00 C ATOM 525 CE1 TYR A 76 -1.381 -2.369 6.674 1.00 0.00 C ATOM 526 CE2 TYR A 76 -0.819 -4.449 5.634 1.00 0.00 C ATOM 527 CZ TYR A 76 -1.766 -3.539 6.053 1.00 0.00 C ATOM 528 OH TYR A 76 -3.102 -3.797 5.848 1.00 0.00 O ATOM 0 H TYR A 76 2.820 -0.311 7.250 1.00 0.00 H new ATOM 0 HA TYR A 76 1.986 -2.624 8.794 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.735 -1.989 5.961 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.973 -3.640 6.497 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.260 -1.196 7.362 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.261 -4.901 5.513 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.125 -1.657 7.000 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.123 -5.363 5.147 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.201 -4.638 5.355 1.00 0.00 H new ATOM 538 N GLY A 77 5.105 -1.850 8.383 1.00 0.00 N ATOM 539 CA GLY A 77 6.459 -2.216 8.751 1.00 0.00 C ATOM 540 C GLY A 77 7.250 -2.772 7.582 1.00 0.00 C ATOM 541 O GLY A 77 8.301 -3.385 7.772 1.00 0.00 O ATOM 0 H GLY A 77 5.000 -0.900 8.026 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.973 -1.341 9.149 1.00 0.00 H new ATOM 0 HA3 GLY A 77 6.427 -2.958 9.549 1.00 0.00 H new ATOM 545 N LEU A 78 6.746 -2.559 6.370 1.00 0.00 N ATOM 546 CA LEU A 78 7.416 -3.044 5.170 1.00 0.00 C ATOM 547 C LEU A 78 8.543 -2.102 4.759 1.00 0.00 C ATOM 548 O LEU A 78 8.702 -1.023 5.331 1.00 0.00 O ATOM 549 CB LEU A 78 6.413 -3.186 4.023 1.00 0.00 C ATOM 550 CG LEU A 78 5.234 -4.120 4.305 1.00 0.00 C ATOM 551 CD1 LEU A 78 3.970 -3.601 3.638 1.00 0.00 C ATOM 552 CD2 LEU A 78 5.549 -5.531 3.833 1.00 0.00 C ATOM 0 H LEU A 78 5.877 -2.054 6.194 1.00 0.00 H new ATOM 0 HA LEU A 78 7.845 -4.021 5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.023 -2.198 3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.941 -3.549 3.141 1.00 0.00 H new ATOM 0 HG LEU A 78 5.065 -4.148 5.382 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.143 -4.278 3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.735 -2.609 4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.125 -3.543 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.700 -6.182 4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.744 -5.521 2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.429 -5.903 4.358 1.00 0.00 H new ATOM 564 N LYS A 79 9.320 -2.514 3.762 1.00 0.00 N ATOM 565 CA LYS A 79 10.428 -1.702 3.272 1.00 0.00 C ATOM 566 C LYS A 79 10.013 -0.918 2.033 1.00 0.00 C ATOM 567 O LYS A 79 10.212 0.294 1.954 1.00 0.00 O ATOM 568 CB LYS A 79 11.636 -2.588 2.956 1.00 0.00 C ATOM 569 CG LYS A 79 12.946 -2.050 3.510 1.00 0.00 C ATOM 570 CD LYS A 79 13.733 -1.297 2.449 1.00 0.00 C ATOM 571 CE LYS A 79 15.216 -1.624 2.518 1.00 0.00 C ATOM 572 NZ LYS A 79 15.957 -0.669 3.388 1.00 0.00 N ATOM 0 H LYS A 79 9.203 -3.404 3.278 1.00 0.00 H new ATOM 0 HA LYS A 79 10.705 -0.993 4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.461 -3.584 3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.725 -2.695 1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.742 -1.388 4.351 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.547 -2.875 3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.349 -1.551 1.461 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.589 -0.225 2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.347 -2.637 2.898 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.639 -1.603 1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.964 -0.927 3.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.854 0.295 3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.571 -0.707 4.353 1.00 0.00 H new ATOM 586 N SER A 80 9.428 -1.623 1.072 1.00 0.00 N ATOM 587 CA SER A 80 8.967 -1.010 -0.171 1.00 0.00 C ATOM 588 C SER A 80 10.014 -0.061 -0.752 1.00 0.00 C ATOM 589 O SER A 80 11.174 -0.072 -0.339 1.00 0.00 O ATOM 590 CB SER A 80 7.658 -0.257 0.070 1.00 0.00 C ATOM 591 OG SER A 80 7.882 0.936 0.801 1.00 0.00 O ATOM 0 H SER A 80 9.260 -2.627 1.130 1.00 0.00 H new ATOM 0 HA SER A 80 8.800 -1.808 -0.894 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.191 -0.019 -0.886 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.963 -0.896 0.615 1.00 0.00 H new ATOM 0 HG SER A 80 8.823 0.982 1.072 1.00 0.00 H new ATOM 597 N GLY A 81 9.595 0.758 -1.713 1.00 0.00 N ATOM 598 CA GLY A 81 10.505 1.701 -2.337 1.00 0.00 C ATOM 599 C GLY A 81 10.795 1.352 -3.783 1.00 0.00 C ATOM 600 O GLY A 81 10.518 0.238 -4.225 1.00 0.00 O ATOM 0 H GLY A 81 8.640 0.785 -2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.078 2.702 -2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.440 1.725 -1.777 1.00 0.00 H new ATOM 604 N LEU A 82 11.356 2.306 -4.522 1.00 0.00 N ATOM 605 CA LEU A 82 11.687 2.101 -5.929 1.00 0.00 C ATOM 606 C LEU A 82 10.438 2.172 -6.801 1.00 0.00 C ATOM 607 O LEU A 82 9.515 1.371 -6.655 1.00 0.00 O ATOM 608 CB LEU A 82 12.392 0.755 -6.133 1.00 0.00 C ATOM 609 CG LEU A 82 13.453 0.414 -5.083 1.00 0.00 C ATOM 610 CD1 LEU A 82 13.469 -1.082 -4.807 1.00 0.00 C ATOM 611 CD2 LEU A 82 14.824 0.888 -5.539 1.00 0.00 C ATOM 0 H LEU A 82 11.592 3.233 -4.167 1.00 0.00 H new ATOM 0 HA LEU A 82 12.365 2.900 -6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.641 -0.035 -6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.862 0.754 -7.116 1.00 0.00 H new ATOM 0 HG LEU A 82 13.201 0.931 -4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.229 -1.306 -4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.492 -1.394 -4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.697 -1.619 -5.727 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.566 0.638 -4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 82 15.085 0.399 -6.478 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.805 1.968 -5.686 1.00 0.00 H new ATOM 623 N LYS A 83 10.427 3.137 -7.714 1.00 0.00 N ATOM 624 CA LYS A 83 9.308 3.328 -8.627 1.00 0.00 C ATOM 625 C LYS A 83 8.021 3.672 -7.877 1.00 0.00 C ATOM 626 O LYS A 83 7.631 4.837 -7.811 1.00 0.00 O ATOM 627 CB LYS A 83 9.115 2.077 -9.484 1.00 0.00 C ATOM 628 CG LYS A 83 8.354 2.333 -10.776 1.00 0.00 C ATOM 629 CD LYS A 83 9.146 1.882 -11.993 1.00 0.00 C ATOM 630 CE LYS A 83 8.692 0.514 -12.477 1.00 0.00 C ATOM 631 NZ LYS A 83 8.685 0.425 -13.964 1.00 0.00 N ATOM 0 H LYS A 83 11.188 3.804 -7.841 1.00 0.00 H new ATOM 0 HA LYS A 83 9.541 4.172 -9.276 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.092 1.658 -9.725 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.581 1.326 -8.901 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.400 1.807 -10.747 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.129 3.396 -10.862 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.029 2.610 -12.795 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.207 1.848 -11.746 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.352 -0.252 -12.071 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.692 0.308 -12.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.370 -0.523 -14.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.036 1.139 -14.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.645 0.596 -14.327 1.00 0.00 H new ATOM 645 N LYS A 84 7.367 2.654 -7.315 1.00 0.00 N ATOM 646 CA LYS A 84 6.121 2.837 -6.569 1.00 0.00 C ATOM 647 C LYS A 84 5.410 1.501 -6.400 1.00 0.00 C ATOM 648 O LYS A 84 4.962 1.156 -5.306 1.00 0.00 O ATOM 649 CB LYS A 84 5.186 3.826 -7.277 1.00 0.00 C ATOM 650 CG LYS A 84 4.987 3.532 -8.755 1.00 0.00 C ATOM 651 CD LYS A 84 4.088 4.567 -9.414 1.00 0.00 C ATOM 652 CE LYS A 84 4.872 5.479 -10.344 1.00 0.00 C ATOM 653 NZ LYS A 84 3.974 6.312 -11.191 1.00 0.00 N ATOM 0 H LYS A 84 7.684 1.686 -7.363 1.00 0.00 H new ATOM 0 HA LYS A 84 6.377 3.244 -5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.216 3.814 -6.780 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.588 4.833 -7.167 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.954 3.516 -9.257 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.550 2.541 -8.874 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.302 4.062 -9.976 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.597 5.165 -8.646 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.520 6.128 -9.755 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.519 4.877 -10.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.547 6.920 -11.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.373 5.694 -11.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.375 6.905 -10.582 1.00 0.00 H new ATOM 667 N GLN A 85 5.314 0.750 -7.495 1.00 0.00 N ATOM 668 CA GLN A 85 4.663 -0.556 -7.481 1.00 0.00 C ATOM 669 C GLN A 85 5.147 -1.392 -6.303 1.00 0.00 C ATOM 670 O GLN A 85 4.363 -2.090 -5.660 1.00 0.00 O ATOM 671 CB GLN A 85 4.929 -1.296 -8.792 1.00 0.00 C ATOM 672 CG GLN A 85 3.929 -2.405 -9.077 1.00 0.00 C ATOM 673 CD GLN A 85 4.600 -3.727 -9.401 1.00 0.00 C ATOM 674 OE1 GLN A 85 5.515 -3.787 -10.221 1.00 0.00 O ATOM 675 NE2 GLN A 85 4.145 -4.794 -8.755 1.00 0.00 N ATOM 0 H GLN A 85 5.681 1.026 -8.406 1.00 0.00 H new ATOM 0 HA GLN A 85 3.590 -0.398 -7.374 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.910 -0.580 -9.614 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.932 -1.721 -8.763 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.279 -2.534 -8.212 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.293 -2.110 -9.912 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.384 -4.697 -8.083 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.557 -5.711 -8.931 1.00 0.00 H new ATOM 684 N GLU A 86 6.446 -1.311 -6.021 1.00 0.00 N ATOM 685 CA GLU A 86 7.034 -2.057 -4.912 1.00 0.00 C ATOM 686 C GLU A 86 6.212 -1.866 -3.643 1.00 0.00 C ATOM 687 O GLU A 86 6.043 -2.794 -2.853 1.00 0.00 O ATOM 688 CB GLU A 86 8.477 -1.613 -4.674 1.00 0.00 C ATOM 689 CG GLU A 86 9.383 -1.821 -5.876 1.00 0.00 C ATOM 690 CD GLU A 86 9.431 -3.269 -6.325 1.00 0.00 C ATOM 691 OE1 GLU A 86 9.349 -4.163 -5.457 1.00 0.00 O ATOM 692 OE2 GLU A 86 9.552 -3.507 -7.545 1.00 0.00 O ATOM 0 H GLU A 86 7.109 -0.738 -6.544 1.00 0.00 H new ATOM 0 HA GLU A 86 7.032 -3.115 -5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.484 -0.557 -4.403 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.882 -2.163 -3.825 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.035 -1.200 -6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.391 -1.487 -5.629 1.00 0.00 H new ATOM 699 N LEU A 87 5.684 -0.658 -3.467 1.00 0.00 N ATOM 700 CA LEU A 87 4.859 -0.351 -2.307 1.00 0.00 C ATOM 701 C LEU A 87 3.616 -1.225 -2.327 1.00 0.00 C ATOM 702 O LEU A 87 3.312 -1.915 -1.353 1.00 0.00 O ATOM 703 CB LEU A 87 4.480 1.135 -2.309 1.00 0.00 C ATOM 704 CG LEU A 87 5.669 2.096 -2.423 1.00 0.00 C ATOM 705 CD1 LEU A 87 5.236 3.423 -3.022 1.00 0.00 C ATOM 706 CD2 LEU A 87 6.317 2.310 -1.063 1.00 0.00 C ATOM 0 H LEU A 87 5.813 0.121 -4.112 1.00 0.00 H new ATOM 0 HA LEU A 87 5.420 -0.557 -1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.798 1.322 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.935 1.359 -1.392 1.00 0.00 H new ATOM 0 HG LEU A 87 6.406 1.646 -3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.097 4.088 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.824 3.256 -4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.477 3.879 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.159 2.995 -1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.586 2.733 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.671 1.355 -0.674 1.00 0.00 H new ATOM 718 N LEU A 88 2.919 -1.221 -3.459 1.00 0.00 N ATOM 719 CA LEU A 88 1.729 -2.044 -3.623 1.00 0.00 C ATOM 720 C LEU A 88 2.047 -3.490 -3.265 1.00 0.00 C ATOM 721 O LEU A 88 1.385 -4.095 -2.422 1.00 0.00 O ATOM 722 CB LEU A 88 1.219 -1.967 -5.062 1.00 0.00 C ATOM 723 CG LEU A 88 0.240 -0.827 -5.343 1.00 0.00 C ATOM 724 CD1 LEU A 88 0.993 0.448 -5.695 1.00 0.00 C ATOM 725 CD2 LEU A 88 -0.715 -1.214 -6.463 1.00 0.00 C ATOM 0 H LEU A 88 3.159 -0.657 -4.275 1.00 0.00 H new ATOM 0 HA LEU A 88 0.952 -1.669 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.075 -1.863 -5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.734 -2.911 -5.310 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.344 -0.640 -4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.280 1.249 -5.892 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.637 0.732 -4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.602 0.278 -6.583 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.406 -0.393 -6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.147 -1.426 -7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.277 -2.101 -6.172 1.00 0.00 H new ATOM 737 N GLU A 89 3.078 -4.033 -3.912 1.00 0.00 N ATOM 738 CA GLU A 89 3.503 -5.404 -3.664 1.00 0.00 C ATOM 739 C GLU A 89 3.703 -5.643 -2.175 1.00 0.00 C ATOM 740 O GLU A 89 3.188 -6.611 -1.620 1.00 0.00 O ATOM 741 CB GLU A 89 4.794 -5.711 -4.426 1.00 0.00 C ATOM 742 CG GLU A 89 4.833 -7.110 -5.017 1.00 0.00 C ATOM 743 CD GLU A 89 6.114 -7.385 -5.779 1.00 0.00 C ATOM 744 OE1 GLU A 89 7.171 -6.856 -5.374 1.00 0.00 O ATOM 745 OE2 GLU A 89 6.061 -8.129 -6.781 1.00 0.00 O ATOM 0 H GLU A 89 3.633 -3.541 -4.612 1.00 0.00 H new ATOM 0 HA GLU A 89 2.720 -6.073 -4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.914 -4.983 -5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.642 -5.586 -3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.727 -7.842 -4.216 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.982 -7.242 -5.685 1.00 0.00 H new ATOM 752 N ALA A 90 4.441 -4.747 -1.523 1.00 0.00 N ATOM 753 CA ALA A 90 4.681 -4.869 -0.092 1.00 0.00 C ATOM 754 C ALA A 90 3.358 -5.028 0.643 1.00 0.00 C ATOM 755 O ALA A 90 3.212 -5.886 1.513 1.00 0.00 O ATOM 756 CB ALA A 90 5.441 -3.657 0.426 1.00 0.00 C ATOM 0 H ALA A 90 4.879 -3.936 -1.961 1.00 0.00 H new ATOM 0 HA ALA A 90 5.291 -5.754 0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.612 -3.765 1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.399 -3.581 -0.088 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.857 -2.755 0.241 1.00 0.00 H new ATOM 762 N LEU A 91 2.391 -4.199 0.266 1.00 0.00 N ATOM 763 CA LEU A 91 1.065 -4.246 0.864 1.00 0.00 C ATOM 764 C LEU A 91 0.364 -5.546 0.506 1.00 0.00 C ATOM 765 O LEU A 91 0.007 -6.336 1.380 1.00 0.00 O ATOM 766 CB LEU A 91 0.224 -3.069 0.375 1.00 0.00 C ATOM 767 CG LEU A 91 0.413 -1.766 1.160 1.00 0.00 C ATOM 768 CD1 LEU A 91 0.988 -0.676 0.266 1.00 0.00 C ATOM 769 CD2 LEU A 91 -0.905 -1.315 1.772 1.00 0.00 C ATOM 0 H LEU A 91 2.503 -3.485 -0.453 1.00 0.00 H new ATOM 0 HA LEU A 91 1.178 -4.187 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.462 -2.882 -0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.828 -3.351 0.417 1.00 0.00 H new ATOM 0 HG LEU A 91 1.121 -1.954 1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.114 0.240 0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.955 -0.996 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.307 -0.490 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.751 -0.389 2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.635 -1.148 0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.274 -2.085 2.449 1.00 0.00 H new ATOM 781 N THR A 92 0.172 -5.760 -0.791 1.00 0.00 N ATOM 782 CA THR A 92 -0.483 -6.962 -1.279 1.00 0.00 C ATOM 783 C THR A 92 0.152 -8.202 -0.658 1.00 0.00 C ATOM 784 O THR A 92 -0.536 -9.038 -0.077 1.00 0.00 O ATOM 785 CB THR A 92 -0.401 -7.007 -2.807 1.00 0.00 C ATOM 786 OG1 THR A 92 -1.377 -6.157 -3.383 1.00 0.00 O ATOM 787 CG2 THR A 92 -0.599 -8.388 -3.392 1.00 0.00 C ATOM 0 H THR A 92 0.463 -5.112 -1.523 1.00 0.00 H new ATOM 0 HA THR A 92 -1.533 -6.945 -0.988 1.00 0.00 H new ATOM 0 HB THR A 92 0.611 -6.679 -3.044 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.310 -6.196 -4.360 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.527 -8.337 -4.478 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.169 -9.059 -3.008 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.583 -8.764 -3.111 1.00 0.00 H new ATOM 795 N LYS A 93 1.471 -8.306 -0.775 1.00 0.00 N ATOM 796 CA LYS A 93 2.202 -9.432 -0.209 1.00 0.00 C ATOM 797 C LYS A 93 1.795 -9.670 1.243 1.00 0.00 C ATOM 798 O LYS A 93 1.801 -10.805 1.722 1.00 0.00 O ATOM 799 CB LYS A 93 3.710 -9.188 -0.298 1.00 0.00 C ATOM 800 CG LYS A 93 4.537 -10.463 -0.249 1.00 0.00 C ATOM 801 CD LYS A 93 5.705 -10.408 -1.220 1.00 0.00 C ATOM 802 CE LYS A 93 5.347 -11.036 -2.557 1.00 0.00 C ATOM 803 NZ LYS A 93 6.289 -10.626 -3.635 1.00 0.00 N ATOM 0 H LYS A 93 2.056 -7.623 -1.257 1.00 0.00 H new ATOM 0 HA LYS A 93 1.953 -10.322 -0.787 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.930 -8.658 -1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.013 -8.537 0.522 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.911 -10.616 0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.904 -11.318 -0.488 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.005 -9.371 -1.372 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.562 -10.927 -0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.355 -12.122 -2.462 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.333 -10.748 -2.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.010 -11.076 -4.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.263 -9.592 -3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.254 -10.923 -3.385 1.00 0.00 H new ATOM 817 N HIS A 94 1.448 -8.590 1.942 1.00 0.00 N ATOM 818 CA HIS A 94 1.046 -8.686 3.341 1.00 0.00 C ATOM 819 C HIS A 94 -0.470 -8.822 3.481 1.00 0.00 C ATOM 820 O HIS A 94 -1.013 -8.661 4.574 1.00 0.00 O ATOM 821 CB HIS A 94 1.530 -7.459 4.114 1.00 0.00 C ATOM 822 CG HIS A 94 1.793 -7.733 5.563 1.00 0.00 C ATOM 823 ND1 HIS A 94 0.812 -8.136 6.443 1.00 0.00 N ATOM 824 CD2 HIS A 94 2.937 -7.661 6.284 1.00 0.00 C ATOM 825 CE1 HIS A 94 1.340 -8.300 7.643 1.00 0.00 C ATOM 826 NE2 HIS A 94 2.628 -8.019 7.573 1.00 0.00 N ATOM 0 H HIS A 94 1.438 -7.643 1.563 1.00 0.00 H new ATOM 0 HA HIS A 94 1.506 -9.582 3.757 1.00 0.00 H new ATOM 0 HB2 HIS A 94 2.443 -7.085 3.651 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.784 -6.669 4.031 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -0.169 -8.284 6.205 1.00 0.00 H new ATOM 0 HD2 HIS A 94 3.911 -7.375 5.914 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.808 -8.611 8.530 1.00 0.00 H new ATOM 835 N PHE A 95 -1.151 -9.117 2.377 1.00 0.00 N ATOM 836 CA PHE A 95 -2.603 -9.267 2.403 1.00 0.00 C ATOM 837 C PHE A 95 -3.081 -10.344 1.422 1.00 0.00 C ATOM 838 O PHE A 95 -4.264 -10.681 1.396 1.00 0.00 O ATOM 839 CB PHE A 95 -3.276 -7.930 2.079 1.00 0.00 C ATOM 840 CG PHE A 95 -4.147 -7.420 3.192 1.00 0.00 C ATOM 841 CD1 PHE A 95 -4.959 -8.284 3.909 1.00 0.00 C ATOM 842 CD2 PHE A 95 -4.145 -6.076 3.526 1.00 0.00 C ATOM 843 CE1 PHE A 95 -5.753 -7.816 4.938 1.00 0.00 C ATOM 844 CE2 PHE A 95 -4.937 -5.601 4.553 1.00 0.00 C ATOM 845 CZ PHE A 95 -5.742 -6.473 5.261 1.00 0.00 C ATOM 0 H PHE A 95 -0.725 -9.256 1.461 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.884 -9.583 3.408 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.508 -7.188 1.858 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.878 -8.043 1.178 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.971 -9.335 3.661 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -3.516 -5.391 2.977 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -6.382 -8.499 5.489 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -4.927 -4.550 4.802 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.361 -6.105 6.066 1.00 0.00 H new ATOM 855 N GLN A 96 -2.164 -10.884 0.619 1.00 0.00 N ATOM 856 CA GLN A 96 -2.515 -11.917 -0.348 1.00 0.00 C ATOM 857 C GLN A 96 -2.784 -13.247 0.350 1.00 0.00 C ATOM 858 O GLN A 96 -1.927 -13.770 1.063 1.00 0.00 O ATOM 859 CB GLN A 96 -1.395 -12.084 -1.378 1.00 0.00 C ATOM 860 CG GLN A 96 -0.022 -12.288 -0.758 1.00 0.00 C ATOM 861 CD GLN A 96 1.016 -12.726 -1.773 1.00 0.00 C ATOM 862 OE1 GLN A 96 1.723 -11.901 -2.351 1.00 0.00 O ATOM 863 NE2 GLN A 96 1.112 -14.032 -1.995 1.00 0.00 N ATOM 0 H GLN A 96 -1.178 -10.623 0.621 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.425 -11.606 -0.860 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.625 -12.936 -2.018 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.368 -11.202 -2.019 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.303 -11.359 -0.289 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.091 -13.036 0.032 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.505 -14.681 -1.493 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.792 -14.386 -2.667 1.00 0.00 H new