USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 628 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 81 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 85 GLN : amide:sc= -0.404 X(o=-0.4,f=-0.46) USER MOD Set 2.1: A 8 CYS SG : rot 60:sc= 0.288 USER MOD Set 2.2: A 11 CYS SG : rot -44:sc= 1.04 USER MOD Set 2.3: A 15 TYR OH : rot -179:sc= 1.01 USER MOD Set 2.4: A 31 CYS SG : rot -55:sc= 0.763 USER MOD Set 2.5: A 34 CYS SG : rot 82:sc= 1.01 USER MOD Set 3.1: A 26 CYS SG : rot 110:sc= 0.592 USER MOD Set 3.2: A 28 CYS SG : rot 49:sc= 1.85 USER MOD Set 3.3: A 53 CYS SG : rot 170:sc= -0.998 USER MOD Set 3.4: A 58 CYS SG : rot 102:sc= 0.437 USER MOD Single : A 6 SER OG : rot 110:sc= -0.162 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -134:sc= -2.04 (180deg=-4.59!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.512 USER MOD Single : A 25 GLN : amide:sc= -0.398 K(o=-0.4,f=-5.3!) USER MOD Single : A 27 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.2) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 149:sc= 0.0869 (180deg=-0.101) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 165:sc= 1.17 USER MOD Single : A 44 LYS NZ :NH3+ -171:sc= -0.782 (180deg=-0.994) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0571 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0602) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 63 HIS : no HE2:sc= -6.41! C(o=-6.4!,f=-2.8!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 67 ASN : amide:sc= -1.63! C(o=-1.6!,f=-2.1!) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 176:sc= -0.724 (180deg=-0.808) USER MOD Single : A 78 MET CE :methyl 175:sc= -0.406 (180deg=-0.471) USER MOD Single : A 79 GLN : amide:sc= -1.07 K(o=-1.1,f=-4!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -12.233 -16.615 -2.974 1.00 0.00 N ATOM 49 CA SER A 6 -11.107 -16.553 -3.900 1.00 0.00 C ATOM 50 C SER A 6 -9.853 -17.148 -3.269 1.00 0.00 C ATOM 51 O SER A 6 -8.926 -17.555 -3.970 1.00 0.00 O ATOM 52 CB SER A 6 -10.844 -15.104 -4.318 1.00 0.00 C ATOM 53 OG SER A 6 -10.272 -15.044 -5.612 1.00 0.00 O ATOM 0 HA SER A 6 -11.361 -17.139 -4.784 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.778 -14.542 -4.303 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.176 -14.630 -3.599 1.00 0.00 H new ATOM 0 HG SER A 6 -10.925 -14.673 -6.241 1.00 0.00 H new ATOM 59 N GLY A 7 -9.830 -17.196 -1.941 1.00 0.00 N ATOM 60 CA GLY A 7 -8.684 -17.742 -1.238 1.00 0.00 C ATOM 61 C GLY A 7 -7.495 -16.804 -1.248 1.00 0.00 C ATOM 62 O GLY A 7 -6.989 -16.442 -2.311 1.00 0.00 O ATOM 0 H GLY A 7 -10.585 -16.866 -1.339 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.964 -17.958 -0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.399 -18.689 -1.696 1.00 0.00 H new ATOM 66 N CYS A 8 -7.047 -16.405 -0.062 1.00 0.00 N ATOM 67 CA CYS A 8 -5.911 -15.500 0.063 1.00 0.00 C ATOM 68 C CYS A 8 -4.601 -16.279 0.140 1.00 0.00 C ATOM 69 O CYS A 8 -4.599 -17.493 0.346 1.00 0.00 O ATOM 70 CB CYS A 8 -6.068 -14.619 1.303 1.00 0.00 C ATOM 71 SG CYS A 8 -4.921 -13.205 1.360 1.00 0.00 S ATOM 0 H CYS A 8 -7.454 -16.695 0.827 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.884 -14.866 -0.823 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.091 -14.245 1.343 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.918 -15.231 2.192 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.116 -12.446 0.323 1.00 0.00 H new ATOM 76 N LYS A 9 -3.488 -15.572 -0.026 1.00 0.00 N ATOM 77 CA LYS A 9 -2.171 -16.195 0.028 1.00 0.00 C ATOM 78 C LYS A 9 -1.407 -15.747 1.270 1.00 0.00 C ATOM 79 O LYS A 9 -0.473 -16.419 1.712 1.00 0.00 O ATOM 80 CB LYS A 9 -1.369 -15.848 -1.229 1.00 0.00 C ATOM 81 CG LYS A 9 -1.906 -16.500 -2.492 1.00 0.00 C ATOM 82 CD LYS A 9 -1.354 -15.834 -3.741 1.00 0.00 C ATOM 83 CE LYS A 9 -2.048 -16.340 -4.997 1.00 0.00 C ATOM 84 NZ LYS A 9 -1.613 -17.719 -5.353 1.00 0.00 N ATOM 0 H LYS A 9 -3.472 -14.567 -0.199 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.309 -17.275 0.078 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.367 -14.766 -1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.333 -16.154 -1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.643 -17.558 -2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.994 -16.442 -2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.480 -14.754 -3.665 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.283 -16.025 -3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.127 -16.327 -4.846 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.834 -15.666 -5.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.108 -18.028 -6.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.587 -17.727 -5.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.840 -18.367 -4.572 1.00 0.00 H new ATOM 98 N LEU A 10 -1.809 -14.611 1.829 1.00 0.00 N ATOM 99 CA LEU A 10 -1.164 -14.075 3.022 1.00 0.00 C ATOM 100 C LEU A 10 -1.774 -14.672 4.286 1.00 0.00 C ATOM 101 O LEU A 10 -1.073 -15.263 5.108 1.00 0.00 O ATOM 102 CB LEU A 10 -1.289 -12.551 3.052 1.00 0.00 C ATOM 103 CG LEU A 10 -0.654 -11.802 1.880 1.00 0.00 C ATOM 104 CD1 LEU A 10 -1.034 -10.330 1.916 1.00 0.00 C ATOM 105 CD2 LEU A 10 0.860 -11.965 1.900 1.00 0.00 C ATOM 0 H LEU A 10 -2.579 -14.043 1.475 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.109 -14.346 2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.348 -12.294 3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.839 -12.188 3.976 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.034 -12.230 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.572 -9.814 1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.118 -10.232 1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.685 -9.887 2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.295 -11.425 1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.257 -11.564 2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.113 -13.022 1.823 1.00 0.00 H new ATOM 117 N CYS A 11 -3.085 -14.514 4.435 1.00 0.00 N ATOM 118 CA CYS A 11 -3.791 -15.038 5.598 1.00 0.00 C ATOM 119 C CYS A 11 -4.508 -16.342 5.257 1.00 0.00 C ATOM 120 O CYS A 11 -5.157 -16.947 6.111 1.00 0.00 O ATOM 121 CB CYS A 11 -4.797 -14.009 6.116 1.00 0.00 C ATOM 122 SG CYS A 11 -6.161 -13.656 4.959 1.00 0.00 S ATOM 0 H CYS A 11 -3.680 -14.027 3.765 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.057 -15.241 6.377 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.216 -14.367 7.056 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.271 -13.080 6.335 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.685 -13.511 3.758 1.00 0.00 H new ATOM 127 N LEU A 12 -4.387 -16.767 4.005 1.00 0.00 N ATOM 128 CA LEU A 12 -5.022 -17.998 3.550 1.00 0.00 C ATOM 129 C LEU A 12 -6.462 -18.084 4.049 1.00 0.00 C ATOM 130 O LEU A 12 -6.909 -19.135 4.506 1.00 0.00 O ATOM 131 CB LEU A 12 -4.230 -19.214 4.034 1.00 0.00 C ATOM 132 CG LEU A 12 -2.749 -19.242 3.657 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.914 -18.548 4.722 1.00 0.00 C ATOM 134 CD2 LEU A 12 -2.276 -20.675 3.457 1.00 0.00 C ATOM 0 H LEU A 12 -3.855 -16.277 3.286 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.033 -17.990 2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.309 -19.266 5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.703 -20.112 3.637 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.623 -18.704 2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.862 -18.578 4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.235 -17.511 4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.045 -19.057 5.677 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.219 -20.675 3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.416 -21.237 4.380 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.853 -21.140 2.658 1.00 0.00 H new ATOM 146 N GLY A 13 -7.183 -16.971 3.955 1.00 0.00 N ATOM 147 CA GLY A 13 -8.565 -16.943 4.398 1.00 0.00 C ATOM 148 C GLY A 13 -9.543 -16.882 3.242 1.00 0.00 C ATOM 149 O GLY A 13 -9.298 -16.197 2.250 1.00 0.00 O ATOM 0 H GLY A 13 -6.835 -16.088 3.580 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.770 -17.831 4.996 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.718 -16.080 5.046 1.00 0.00 H new ATOM 153 N GLU A 14 -10.653 -17.602 3.370 1.00 0.00 N ATOM 154 CA GLU A 14 -11.670 -17.629 2.326 1.00 0.00 C ATOM 155 C GLU A 14 -12.596 -16.421 2.437 1.00 0.00 C ATOM 156 O GLU A 14 -13.353 -16.293 3.399 1.00 0.00 O ATOM 157 CB GLU A 14 -12.486 -18.921 2.410 1.00 0.00 C ATOM 158 CG GLU A 14 -11.811 -20.111 1.750 1.00 0.00 C ATOM 159 CD GLU A 14 -10.898 -20.864 2.698 1.00 0.00 C ATOM 160 OE1 GLU A 14 -11.373 -21.272 3.780 1.00 0.00 O ATOM 161 OE2 GLU A 14 -9.710 -21.046 2.360 1.00 0.00 O ATOM 0 H GLU A 14 -10.871 -18.174 4.186 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.164 -17.590 1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.673 -19.155 3.458 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.457 -18.759 1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.573 -20.791 1.369 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.233 -19.767 0.892 1.00 0.00 H new ATOM 168 N TYR A 15 -12.529 -15.538 1.447 1.00 0.00 N ATOM 169 CA TYR A 15 -13.358 -14.340 1.434 1.00 0.00 C ATOM 170 C TYR A 15 -14.034 -14.159 0.078 1.00 0.00 C ATOM 171 O TYR A 15 -13.517 -14.568 -0.962 1.00 0.00 O ATOM 172 CB TYR A 15 -12.515 -13.107 1.765 1.00 0.00 C ATOM 173 CG TYR A 15 -11.542 -13.326 2.902 1.00 0.00 C ATOM 174 CD1 TYR A 15 -11.934 -13.145 4.222 1.00 0.00 C ATOM 175 CD2 TYR A 15 -10.232 -13.717 2.655 1.00 0.00 C ATOM 176 CE1 TYR A 15 -11.048 -13.344 5.264 1.00 0.00 C ATOM 177 CE2 TYR A 15 -9.339 -13.919 3.689 1.00 0.00 C ATOM 178 CZ TYR A 15 -9.752 -13.731 4.992 1.00 0.00 C ATOM 179 OH TYR A 15 -8.867 -13.931 6.026 1.00 0.00 O ATOM 0 H TYR A 15 -11.908 -15.630 0.643 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.132 -14.457 2.192 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.960 -12.807 0.876 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.179 -12.281 2.020 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -12.948 -12.844 4.438 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -9.906 -13.866 1.636 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -11.368 -13.197 6.285 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.324 -14.222 3.479 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.993 -14.186 5.664 1.00 0.00 H new ATOM 189 N PRO A 16 -15.218 -13.528 0.087 1.00 0.00 N ATOM 190 CA PRO A 16 -15.990 -13.277 -1.133 1.00 0.00 C ATOM 191 C PRO A 16 -15.333 -12.234 -2.031 1.00 0.00 C ATOM 192 O PRO A 16 -14.858 -11.202 -1.555 1.00 0.00 O ATOM 193 CB PRO A 16 -17.330 -12.759 -0.604 1.00 0.00 C ATOM 194 CG PRO A 16 -17.011 -12.178 0.731 1.00 0.00 C ATOM 195 CD PRO A 16 -15.894 -13.014 1.290 1.00 0.00 C ATOM 0 HA PRO A 16 -16.076 -14.170 -1.752 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -17.756 -12.009 -1.271 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -18.061 -13.564 -0.521 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -16.710 -11.134 0.641 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.882 -12.203 1.386 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.219 -12.422 1.908 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.272 -13.823 1.915 1.00 0.00 H new ATOM 203 N VAL A 17 -15.308 -12.510 -3.330 1.00 0.00 N ATOM 204 CA VAL A 17 -14.710 -11.595 -4.295 1.00 0.00 C ATOM 205 C VAL A 17 -15.029 -10.146 -3.948 1.00 0.00 C ATOM 206 O VAL A 17 -14.168 -9.271 -4.040 1.00 0.00 O ATOM 207 CB VAL A 17 -15.200 -11.888 -5.725 1.00 0.00 C ATOM 208 CG1 VAL A 17 -14.779 -13.284 -6.158 1.00 0.00 C ATOM 209 CG2 VAL A 17 -16.709 -11.725 -5.815 1.00 0.00 C ATOM 0 H VAL A 17 -15.695 -13.360 -3.739 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.632 -11.748 -4.250 1.00 0.00 H new ATOM 0 HB VAL A 17 -14.739 -11.169 -6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -15.134 -13.473 -7.171 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.692 -13.360 -6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -15.209 -14.021 -5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -17.038 -11.936 -6.833 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -17.192 -12.419 -5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.981 -10.703 -5.550 1.00 0.00 H new ATOM 219 N GLU A 18 -16.272 -9.897 -3.548 1.00 0.00 N ATOM 220 CA GLU A 18 -16.704 -8.553 -3.186 1.00 0.00 C ATOM 221 C GLU A 18 -15.673 -7.872 -2.290 1.00 0.00 C ATOM 222 O GLU A 18 -15.343 -6.703 -2.485 1.00 0.00 O ATOM 223 CB GLU A 18 -18.059 -8.602 -2.477 1.00 0.00 C ATOM 224 CG GLU A 18 -18.765 -7.257 -2.420 1.00 0.00 C ATOM 225 CD GLU A 18 -19.554 -6.958 -3.679 1.00 0.00 C ATOM 226 OE1 GLU A 18 -19.296 -7.613 -4.710 1.00 0.00 O ATOM 227 OE2 GLU A 18 -20.430 -6.069 -3.633 1.00 0.00 O ATOM 0 H GLU A 18 -16.998 -10.609 -3.467 1.00 0.00 H new ATOM 0 HA GLU A 18 -16.803 -7.972 -4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -18.702 -9.319 -2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -17.915 -8.971 -1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -19.437 -7.240 -1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -18.027 -6.470 -2.263 1.00 0.00 H new ATOM 234 N GLN A 19 -15.170 -8.613 -1.309 1.00 0.00 N ATOM 235 CA GLN A 19 -14.178 -8.081 -0.382 1.00 0.00 C ATOM 236 C GLN A 19 -12.768 -8.476 -0.808 1.00 0.00 C ATOM 237 O GLN A 19 -11.922 -8.792 0.028 1.00 0.00 O ATOM 238 CB GLN A 19 -14.454 -8.583 1.037 1.00 0.00 C ATOM 239 CG GLN A 19 -15.576 -7.834 1.739 1.00 0.00 C ATOM 240 CD GLN A 19 -15.859 -8.374 3.127 1.00 0.00 C ATOM 241 OE1 GLN A 19 -15.087 -8.152 4.061 1.00 0.00 O ATOM 242 NE2 GLN A 19 -16.968 -9.088 3.270 1.00 0.00 N ATOM 0 H GLN A 19 -15.433 -9.583 -1.135 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.251 -6.994 -0.396 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.706 -9.643 0.996 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.543 -8.494 1.629 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.314 -6.778 1.810 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -16.482 -7.897 1.137 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.579 -9.247 2.469 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.210 -9.478 4.181 1.00 0.00 H new ATOM 251 N MET A 20 -12.522 -8.456 -2.114 1.00 0.00 N ATOM 252 CA MET A 20 -11.214 -8.811 -2.651 1.00 0.00 C ATOM 253 C MET A 20 -10.765 -7.803 -3.704 1.00 0.00 C ATOM 254 O MET A 20 -11.590 -7.140 -4.335 1.00 0.00 O ATOM 255 CB MET A 20 -11.252 -10.215 -3.257 1.00 0.00 C ATOM 256 CG MET A 20 -11.792 -11.273 -2.308 1.00 0.00 C ATOM 257 SD MET A 20 -10.582 -11.779 -1.071 1.00 0.00 S ATOM 258 CE MET A 20 -9.285 -12.438 -2.116 1.00 0.00 C ATOM 0 H MET A 20 -13.212 -8.198 -2.820 1.00 0.00 H new ATOM 0 HA MET A 20 -10.497 -8.796 -1.830 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.868 -10.197 -4.156 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.245 -10.496 -3.566 1.00 0.00 H new ATOM 0 HG2 MET A 20 -12.679 -10.887 -1.806 1.00 0.00 H new ATOM 0 HG3 MET A 20 -12.105 -12.145 -2.882 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.946 -13.394 -1.717 1.00 0.00 H new ATOM 0 HE2 MET A 20 -9.669 -12.582 -3.126 1.00 0.00 H new ATOM 0 HE3 MET A 20 -8.449 -11.739 -2.142 1.00 0.00 H new ATOM 268 N THR A 21 -9.454 -7.690 -3.889 1.00 0.00 N ATOM 269 CA THR A 21 -8.896 -6.761 -4.863 1.00 0.00 C ATOM 270 C THR A 21 -7.897 -7.459 -5.779 1.00 0.00 C ATOM 271 O THR A 21 -6.978 -8.134 -5.313 1.00 0.00 O ATOM 272 CB THR A 21 -8.201 -5.573 -4.173 1.00 0.00 C ATOM 273 OG1 THR A 21 -9.121 -4.903 -3.305 1.00 0.00 O ATOM 274 CG2 THR A 21 -7.659 -4.590 -5.202 1.00 0.00 C ATOM 0 H THR A 21 -8.758 -8.231 -3.376 1.00 0.00 H new ATOM 0 HA THR A 21 -9.730 -6.388 -5.457 1.00 0.00 H new ATOM 0 HB THR A 21 -7.366 -5.960 -3.588 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.670 -4.150 -2.869 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.172 -3.759 -4.691 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.936 -5.095 -5.842 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.480 -4.211 -5.810 1.00 0.00 H new ATOM 282 N THR A 22 -8.081 -7.291 -7.085 1.00 0.00 N ATOM 283 CA THR A 22 -7.195 -7.906 -8.066 1.00 0.00 C ATOM 284 C THR A 22 -6.291 -6.865 -8.717 1.00 0.00 C ATOM 285 O THR A 22 -6.768 -5.905 -9.322 1.00 0.00 O ATOM 286 CB THR A 22 -7.993 -8.635 -9.164 1.00 0.00 C ATOM 287 OG1 THR A 22 -8.873 -9.597 -8.573 1.00 0.00 O ATOM 288 CG2 THR A 22 -7.058 -9.328 -10.142 1.00 0.00 C ATOM 0 H THR A 22 -8.835 -6.735 -7.488 1.00 0.00 H new ATOM 0 HA THR A 22 -6.583 -8.631 -7.530 1.00 0.00 H new ATOM 0 HB THR A 22 -8.579 -7.895 -9.709 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.378 -10.055 -9.277 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.644 -9.836 -10.908 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.410 -8.588 -10.612 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.449 -10.057 -9.608 1.00 0.00 H new ATOM 296 N ILE A 23 -4.983 -7.063 -8.590 1.00 0.00 N ATOM 297 CA ILE A 23 -4.011 -6.143 -9.168 1.00 0.00 C ATOM 298 C ILE A 23 -3.968 -6.272 -10.687 1.00 0.00 C ATOM 299 O ILE A 23 -3.975 -7.378 -11.226 1.00 0.00 O ATOM 300 CB ILE A 23 -2.600 -6.386 -8.602 1.00 0.00 C ATOM 301 CG1 ILE A 23 -2.648 -6.482 -7.076 1.00 0.00 C ATOM 302 CG2 ILE A 23 -1.656 -5.276 -9.039 1.00 0.00 C ATOM 303 CD1 ILE A 23 -1.426 -7.139 -6.474 1.00 0.00 C ATOM 0 H ILE A 23 -4.572 -7.852 -8.092 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.331 -5.136 -8.901 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.225 -7.331 -8.995 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.754 -5.480 -6.660 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.535 -7.044 -6.783 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.662 -5.462 -8.631 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.603 -5.251 -10.127 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.026 -4.319 -8.672 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.528 -7.173 -5.389 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.330 -8.153 -6.862 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.538 -6.565 -6.737 1.00 0.00 H new ATOM 315 N ALA A 24 -3.922 -5.135 -11.371 1.00 0.00 N ATOM 316 CA ALA A 24 -3.872 -5.121 -12.828 1.00 0.00 C ATOM 317 C ALA A 24 -2.432 -5.081 -13.328 1.00 0.00 C ATOM 318 O ALA A 24 -2.160 -4.590 -14.424 1.00 0.00 O ATOM 319 CB ALA A 24 -4.655 -3.933 -13.371 1.00 0.00 C ATOM 0 H ALA A 24 -3.918 -4.211 -10.940 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.329 -6.041 -13.192 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.610 -3.934 -14.460 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.694 -4.005 -13.051 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.222 -3.008 -12.991 1.00 0.00 H new ATOM 325 N GLN A 25 -1.515 -5.599 -12.518 1.00 0.00 N ATOM 326 CA GLN A 25 -0.103 -5.621 -12.880 1.00 0.00 C ATOM 327 C GLN A 25 0.427 -7.050 -12.920 1.00 0.00 C ATOM 328 O GLN A 25 1.122 -7.440 -13.858 1.00 0.00 O ATOM 329 CB GLN A 25 0.713 -4.790 -11.887 1.00 0.00 C ATOM 330 CG GLN A 25 0.835 -3.326 -12.275 1.00 0.00 C ATOM 331 CD GLN A 25 2.109 -2.688 -11.758 1.00 0.00 C ATOM 332 OE1 GLN A 25 3.179 -3.297 -11.793 1.00 0.00 O ATOM 333 NE2 GLN A 25 2.001 -1.457 -11.274 1.00 0.00 N ATOM 0 H GLN A 25 -1.724 -6.009 -11.608 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.003 -5.188 -13.875 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.251 -4.859 -10.902 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.711 -5.219 -11.801 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.805 -3.238 -13.361 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.024 -2.779 -11.887 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.094 -0.990 -11.265 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.825 -0.977 -10.911 1.00 0.00 H new ATOM 342 N CYS A 26 0.095 -7.828 -11.895 1.00 0.00 N ATOM 343 CA CYS A 26 0.538 -9.214 -11.811 1.00 0.00 C ATOM 344 C CYS A 26 -0.646 -10.150 -11.576 1.00 0.00 C ATOM 345 O CYS A 26 -0.492 -11.229 -11.005 1.00 0.00 O ATOM 346 CB CYS A 26 1.562 -9.378 -10.686 1.00 0.00 C ATOM 347 SG CYS A 26 0.990 -8.774 -9.066 1.00 0.00 S ATOM 0 H CYS A 26 -0.480 -7.521 -11.110 1.00 0.00 H new ATOM 0 HA CYS A 26 1.006 -9.478 -12.760 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.822 -10.433 -10.597 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.474 -8.846 -10.959 1.00 0.00 H new ATOM 0 HG CYS A 26 0.799 -9.783 -8.269 1.00 0.00 H new ATOM 352 N GLN A 27 -1.825 -9.727 -12.020 1.00 0.00 N ATOM 353 CA GLN A 27 -3.034 -10.526 -11.858 1.00 0.00 C ATOM 354 C GLN A 27 -3.036 -11.241 -10.511 1.00 0.00 C ATOM 355 O GLN A 27 -3.303 -12.440 -10.433 1.00 0.00 O ATOM 356 CB GLN A 27 -3.151 -11.547 -12.990 1.00 0.00 C ATOM 357 CG GLN A 27 -3.738 -10.973 -14.269 1.00 0.00 C ATOM 358 CD GLN A 27 -5.182 -10.542 -14.107 1.00 0.00 C ATOM 359 OE1 GLN A 27 -6.092 -11.371 -14.104 1.00 0.00 O ATOM 360 NE2 GLN A 27 -5.400 -9.239 -13.969 1.00 0.00 N ATOM 0 H GLN A 27 -1.969 -8.836 -12.495 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.891 -9.854 -11.894 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.163 -11.954 -13.204 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.772 -12.378 -12.656 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.141 -10.118 -14.586 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.672 -11.719 -15.061 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.616 -8.587 -13.977 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.352 -8.890 -13.855 1.00 0.00 H new ATOM 369 N CYS A 28 -2.738 -10.495 -9.451 1.00 0.00 N ATOM 370 CA CYS A 28 -2.706 -11.057 -8.106 1.00 0.00 C ATOM 371 C CYS A 28 -3.869 -10.532 -7.270 1.00 0.00 C ATOM 372 O CYS A 28 -4.017 -9.324 -7.083 1.00 0.00 O ATOM 373 CB CYS A 28 -1.379 -10.721 -7.422 1.00 0.00 C ATOM 374 SG CYS A 28 0.037 -11.691 -8.031 1.00 0.00 S ATOM 0 H CYS A 28 -2.516 -9.501 -9.498 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.801 -12.140 -8.189 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.168 -9.661 -7.564 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.484 -10.885 -6.349 1.00 0.00 H new ATOM 0 HG CYS A 28 0.054 -11.665 -9.331 1.00 0.00 H new ATOM 379 N ILE A 29 -4.691 -11.448 -6.767 1.00 0.00 N ATOM 380 CA ILE A 29 -5.839 -11.078 -5.950 1.00 0.00 C ATOM 381 C ILE A 29 -5.543 -11.273 -4.467 1.00 0.00 C ATOM 382 O ILE A 29 -4.898 -12.244 -4.074 1.00 0.00 O ATOM 383 CB ILE A 29 -7.086 -11.900 -6.326 1.00 0.00 C ATOM 384 CG1 ILE A 29 -8.358 -11.149 -5.926 1.00 0.00 C ATOM 385 CG2 ILE A 29 -7.040 -13.267 -5.659 1.00 0.00 C ATOM 386 CD1 ILE A 29 -9.614 -11.711 -6.555 1.00 0.00 C ATOM 0 H ILE A 29 -4.582 -12.452 -6.912 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.038 -10.024 -6.143 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.096 -12.044 -7.406 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.461 -11.177 -4.841 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.256 -10.102 -6.210 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.928 -13.836 -5.934 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.149 -13.802 -5.988 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.010 -13.143 -4.577 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.476 -11.130 -6.227 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.532 -11.658 -7.641 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.740 -12.750 -6.251 1.00 0.00 H new ATOM 398 N PHE A 30 -6.021 -10.342 -3.647 1.00 0.00 N ATOM 399 CA PHE A 30 -5.809 -10.412 -2.206 1.00 0.00 C ATOM 400 C PHE A 30 -6.999 -9.824 -1.452 1.00 0.00 C ATOM 401 O PHE A 30 -7.794 -9.070 -2.014 1.00 0.00 O ATOM 402 CB PHE A 30 -4.530 -9.668 -1.821 1.00 0.00 C ATOM 403 CG PHE A 30 -3.289 -10.252 -2.434 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.757 -11.439 -1.956 1.00 0.00 C ATOM 405 CD2 PHE A 30 -2.655 -9.614 -3.487 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.616 -11.979 -2.518 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.514 -10.150 -4.054 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.992 -11.333 -3.568 1.00 0.00 C ATOM 0 H PHE A 30 -6.557 -9.531 -3.956 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.708 -11.461 -1.929 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.620 -8.625 -2.126 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.428 -9.675 -0.736 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.240 -11.948 -1.135 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.057 -8.687 -3.869 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.212 -12.905 -2.137 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.031 -9.644 -4.877 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.099 -11.752 -4.007 1.00 0.00 H new ATOM 418 N CYS A 31 -7.115 -10.175 -0.176 1.00 0.00 N ATOM 419 CA CYS A 31 -8.207 -9.686 0.657 1.00 0.00 C ATOM 420 C CYS A 31 -7.926 -8.267 1.142 1.00 0.00 C ATOM 421 O CYS A 31 -6.851 -7.981 1.673 1.00 0.00 O ATOM 422 CB CYS A 31 -8.420 -10.614 1.853 1.00 0.00 C ATOM 423 SG CYS A 31 -7.171 -10.431 3.168 1.00 0.00 S ATOM 0 H CYS A 31 -6.465 -10.797 0.304 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.114 -9.672 0.053 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.407 -10.425 2.275 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.416 -11.646 1.504 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.984 -10.594 2.664 1.00 0.00 H new ATOM 428 N THR A 32 -8.900 -7.380 0.959 1.00 0.00 N ATOM 429 CA THR A 32 -8.757 -5.991 1.378 1.00 0.00 C ATOM 430 C THR A 32 -7.897 -5.880 2.630 1.00 0.00 C ATOM 431 O THR A 32 -6.823 -5.278 2.607 1.00 0.00 O ATOM 432 CB THR A 32 -10.129 -5.344 1.651 1.00 0.00 C ATOM 433 OG1 THR A 32 -10.920 -5.351 0.458 1.00 0.00 O ATOM 434 CG2 THR A 32 -9.963 -3.916 2.147 1.00 0.00 C ATOM 0 H THR A 32 -9.796 -7.599 0.524 1.00 0.00 H new ATOM 0 HA THR A 32 -8.270 -5.462 0.559 1.00 0.00 H new ATOM 0 HB THR A 32 -10.633 -5.925 2.424 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.791 -4.940 0.640 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.944 -3.479 2.333 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.385 -3.917 3.071 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.441 -3.327 1.393 1.00 0.00 H new ATOM 442 N LEU A 33 -8.374 -6.464 3.724 1.00 0.00 N ATOM 443 CA LEU A 33 -7.647 -6.431 4.989 1.00 0.00 C ATOM 444 C LEU A 33 -6.140 -6.444 4.751 1.00 0.00 C ATOM 445 O LEU A 33 -5.448 -5.464 5.028 1.00 0.00 O ATOM 446 CB LEU A 33 -8.047 -7.622 5.861 1.00 0.00 C ATOM 447 CG LEU A 33 -9.388 -7.504 6.585 1.00 0.00 C ATOM 448 CD1 LEU A 33 -9.807 -8.849 7.157 1.00 0.00 C ATOM 449 CD2 LEU A 33 -9.310 -6.455 7.684 1.00 0.00 C ATOM 0 H LEU A 33 -9.261 -6.966 3.761 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.907 -5.507 5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.073 -8.513 5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.267 -7.779 6.606 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.142 -7.190 5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.764 -8.745 7.669 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.905 -9.574 6.349 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.053 -9.194 7.864 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.274 -6.384 8.189 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.543 -6.739 8.404 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.058 -5.489 7.247 1.00 0.00 H new ATOM 461 N CYS A 34 -5.637 -7.560 4.232 1.00 0.00 N ATOM 462 CA CYS A 34 -4.213 -7.701 3.954 1.00 0.00 C ATOM 463 C CYS A 34 -3.697 -6.516 3.143 1.00 0.00 C ATOM 464 O CYS A 34 -2.924 -5.698 3.642 1.00 0.00 O ATOM 465 CB CYS A 34 -3.947 -9.005 3.200 1.00 0.00 C ATOM 466 SG CYS A 34 -4.146 -10.505 4.214 1.00 0.00 S ATOM 0 H CYS A 34 -6.196 -8.380 3.996 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.682 -7.725 4.906 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.624 -9.064 2.347 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.933 -8.981 2.801 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.405 -10.823 4.277 1.00 0.00 H new ATOM 471 N LEU A 35 -4.131 -6.431 1.890 1.00 0.00 N ATOM 472 CA LEU A 35 -3.713 -5.347 1.008 1.00 0.00 C ATOM 473 C LEU A 35 -3.741 -4.008 1.740 1.00 0.00 C ATOM 474 O LEU A 35 -2.991 -3.090 1.407 1.00 0.00 O ATOM 475 CB LEU A 35 -4.620 -5.286 -0.222 1.00 0.00 C ATOM 476 CG LEU A 35 -4.133 -6.051 -1.453 1.00 0.00 C ATOM 477 CD1 LEU A 35 -5.230 -6.127 -2.504 1.00 0.00 C ATOM 478 CD2 LEU A 35 -2.885 -5.397 -2.029 1.00 0.00 C ATOM 0 H LEU A 35 -4.772 -7.099 1.462 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.690 -5.545 0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.601 -5.671 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.754 -4.240 -0.498 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.879 -7.066 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.865 -6.675 -3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.097 -6.641 -2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.516 -5.119 -2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.553 -5.955 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.112 -4.371 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.095 -5.396 -1.278 1.00 0.00 H new ATOM 490 N LYS A 36 -4.608 -3.905 2.741 1.00 0.00 N ATOM 491 CA LYS A 36 -4.732 -2.682 3.525 1.00 0.00 C ATOM 492 C LYS A 36 -3.562 -2.534 4.491 1.00 0.00 C ATOM 493 O LYS A 36 -2.781 -1.588 4.394 1.00 0.00 O ATOM 494 CB LYS A 36 -6.052 -2.679 4.300 1.00 0.00 C ATOM 495 CG LYS A 36 -6.478 -1.299 4.769 1.00 0.00 C ATOM 496 CD LYS A 36 -7.717 -1.366 5.647 1.00 0.00 C ATOM 497 CE LYS A 36 -8.486 -0.053 5.628 1.00 0.00 C ATOM 498 NZ LYS A 36 -9.209 0.148 4.343 1.00 0.00 N ATOM 0 H LYS A 36 -5.236 -4.655 3.029 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.721 -1.837 2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.836 -3.097 3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.957 -3.335 5.166 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.663 -0.834 5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.677 -0.665 3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.364 -2.173 5.304 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.427 -1.604 6.670 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.199 -0.038 6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.795 0.775 5.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.076 0.697 4.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.598 0.664 3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.459 -0.776 3.937 1.00 0.00 H new ATOM 512 N GLN A 37 -3.448 -3.475 5.424 1.00 0.00 N ATOM 513 CA GLN A 37 -2.373 -3.449 6.408 1.00 0.00 C ATOM 514 C GLN A 37 -1.009 -3.485 5.725 1.00 0.00 C ATOM 515 O GLN A 37 -0.014 -3.018 6.278 1.00 0.00 O ATOM 516 CB GLN A 37 -2.505 -4.630 7.371 1.00 0.00 C ATOM 517 CG GLN A 37 -3.345 -4.320 8.600 1.00 0.00 C ATOM 518 CD GLN A 37 -4.824 -4.553 8.370 1.00 0.00 C ATOM 519 OE1 GLN A 37 -5.348 -5.629 8.660 1.00 0.00 O ATOM 520 NE2 GLN A 37 -5.508 -3.543 7.845 1.00 0.00 N ATOM 0 H GLN A 37 -4.087 -4.264 5.518 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.453 -2.519 6.971 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.948 -5.473 6.841 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.510 -4.942 7.690 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.008 -4.940 9.431 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.186 -3.282 8.892 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.034 -2.668 7.620 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.507 -3.642 7.667 1.00 0.00 H new ATOM 529 N TYR A 38 -0.971 -4.043 4.520 1.00 0.00 N ATOM 530 CA TYR A 38 0.271 -4.143 3.762 1.00 0.00 C ATOM 531 C TYR A 38 0.731 -2.768 3.287 1.00 0.00 C ATOM 532 O TYR A 38 1.770 -2.266 3.715 1.00 0.00 O ATOM 533 CB TYR A 38 0.088 -5.075 2.564 1.00 0.00 C ATOM 534 CG TYR A 38 1.304 -5.156 1.669 1.00 0.00 C ATOM 535 CD1 TYR A 38 2.457 -5.811 2.088 1.00 0.00 C ATOM 536 CD2 TYR A 38 1.301 -4.578 0.406 1.00 0.00 C ATOM 537 CE1 TYR A 38 3.570 -5.886 1.275 1.00 0.00 C ATOM 538 CE2 TYR A 38 2.410 -4.651 -0.415 1.00 0.00 C ATOM 539 CZ TYR A 38 3.542 -5.306 0.024 1.00 0.00 C ATOM 540 OH TYR A 38 4.649 -5.379 -0.791 1.00 0.00 O ATOM 0 H TYR A 38 -1.786 -4.433 4.047 1.00 0.00 H new ATOM 0 HA TYR A 38 1.037 -4.555 4.420 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.154 -6.074 2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.764 -4.734 1.976 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.482 -6.269 3.066 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.417 -4.063 0.060 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.458 -6.396 1.617 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.391 -4.198 -1.395 1.00 0.00 H new ATOM 0 HH TYR A 38 4.397 -5.141 -1.707 1.00 0.00 H new ATOM 550 N VAL A 39 -0.052 -2.164 2.398 1.00 0.00 N ATOM 551 CA VAL A 39 0.272 -0.847 1.865 1.00 0.00 C ATOM 552 C VAL A 39 0.308 0.201 2.972 1.00 0.00 C ATOM 553 O VAL A 39 0.922 1.257 2.821 1.00 0.00 O ATOM 554 CB VAL A 39 -0.742 -0.411 0.791 1.00 0.00 C ATOM 555 CG1 VAL A 39 -0.923 -1.505 -0.249 1.00 0.00 C ATOM 556 CG2 VAL A 39 -2.074 -0.049 1.434 1.00 0.00 C ATOM 0 H VAL A 39 -0.915 -2.566 2.032 1.00 0.00 H new ATOM 0 HA VAL A 39 1.260 -0.924 1.411 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.354 0.474 0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.643 -1.178 -0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.033 -1.712 -0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.289 -2.410 0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.780 0.257 0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.469 -0.915 1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.928 0.771 2.137 1.00 0.00 H new ATOM 566 N GLU A 40 -0.356 -0.098 4.084 1.00 0.00 N ATOM 567 CA GLU A 40 -0.400 0.819 5.216 1.00 0.00 C ATOM 568 C GLU A 40 0.910 0.783 5.998 1.00 0.00 C ATOM 569 O GLU A 40 1.571 1.807 6.171 1.00 0.00 O ATOM 570 CB GLU A 40 -1.568 0.467 6.140 1.00 0.00 C ATOM 571 CG GLU A 40 -2.847 1.221 5.819 1.00 0.00 C ATOM 572 CD GLU A 40 -3.828 1.227 6.976 1.00 0.00 C ATOM 573 OE1 GLU A 40 -4.435 0.169 7.243 1.00 0.00 O ATOM 574 OE2 GLU A 40 -3.987 2.288 7.614 1.00 0.00 O ATOM 0 H GLU A 40 -0.870 -0.968 4.225 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.543 1.828 4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.762 -0.604 6.075 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.281 0.677 7.170 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.601 2.249 5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.321 0.769 4.948 1.00 0.00 H new ATOM 581 N LEU A 41 1.279 -0.404 6.467 1.00 0.00 N ATOM 582 CA LEU A 41 2.510 -0.575 7.231 1.00 0.00 C ATOM 583 C LEU A 41 3.708 -0.023 6.464 1.00 0.00 C ATOM 584 O LEU A 41 4.563 0.657 7.033 1.00 0.00 O ATOM 585 CB LEU A 41 2.732 -2.054 7.553 1.00 0.00 C ATOM 586 CG LEU A 41 2.134 -2.551 8.869 1.00 0.00 C ATOM 587 CD1 LEU A 41 2.951 -2.050 10.050 1.00 0.00 C ATOM 588 CD2 LEU A 41 0.683 -2.111 8.996 1.00 0.00 C ATOM 0 H LEU A 41 0.744 -1.262 6.332 1.00 0.00 H new ATOM 0 HA LEU A 41 2.411 -0.018 8.163 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.315 -2.649 6.740 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.805 -2.245 7.570 1.00 0.00 H new ATOM 0 HG LEU A 41 2.163 -3.641 8.870 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.510 -2.414 10.978 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.974 -2.416 9.966 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.955 -0.960 10.053 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.274 -2.474 9.939 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.629 -1.023 8.972 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.105 -2.521 8.168 1.00 0.00 H new ATOM 600 N LEU A 42 3.763 -0.320 5.170 1.00 0.00 N ATOM 601 CA LEU A 42 4.855 0.147 4.324 1.00 0.00 C ATOM 602 C LEU A 42 4.902 1.671 4.289 1.00 0.00 C ATOM 603 O LEU A 42 5.923 2.278 4.612 1.00 0.00 O ATOM 604 CB LEU A 42 4.698 -0.403 2.905 1.00 0.00 C ATOM 605 CG LEU A 42 5.162 -1.843 2.689 1.00 0.00 C ATOM 606 CD1 LEU A 42 4.521 -2.428 1.440 1.00 0.00 C ATOM 607 CD2 LEU A 42 6.679 -1.907 2.592 1.00 0.00 C ATOM 0 H LEU A 42 3.064 -0.882 4.684 1.00 0.00 H new ATOM 0 HA LEU A 42 5.791 -0.218 4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.647 -0.335 2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.252 0.242 2.223 1.00 0.00 H new ATOM 0 HG LEU A 42 4.848 -2.438 3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.863 -3.454 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.437 -2.418 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.804 -1.832 0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.990 -2.940 2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.016 -1.298 1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.119 -1.529 3.515 1.00 0.00 H new ATOM 619 N ILE A 43 3.790 2.284 3.896 1.00 0.00 N ATOM 620 CA ILE A 43 3.704 3.737 3.821 1.00 0.00 C ATOM 621 C ILE A 43 4.120 4.381 5.140 1.00 0.00 C ATOM 622 O ILE A 43 5.030 5.209 5.180 1.00 0.00 O ATOM 623 CB ILE A 43 2.279 4.199 3.465 1.00 0.00 C ATOM 624 CG1 ILE A 43 1.952 3.844 2.014 1.00 0.00 C ATOM 625 CG2 ILE A 43 2.134 5.697 3.696 1.00 0.00 C ATOM 626 CD1 ILE A 43 0.495 4.043 1.656 1.00 0.00 C ATOM 0 H ILE A 43 2.936 1.796 3.625 1.00 0.00 H new ATOM 0 HA ILE A 43 4.387 4.053 3.033 1.00 0.00 H new ATOM 0 HB ILE A 43 1.572 3.681 4.114 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.567 4.454 1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.223 2.804 1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.121 6.008 3.440 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.329 5.924 4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.848 6.232 3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.336 3.772 0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.126 3.413 2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.223 5.088 1.805 1.00 0.00 H new ATOM 638 N LYS A 44 3.449 3.992 6.220 1.00 0.00 N ATOM 639 CA LYS A 44 3.750 4.528 7.542 1.00 0.00 C ATOM 640 C LYS A 44 5.254 4.541 7.794 1.00 0.00 C ATOM 641 O LYS A 44 5.786 5.484 8.378 1.00 0.00 O ATOM 642 CB LYS A 44 3.049 3.700 8.621 1.00 0.00 C ATOM 643 CG LYS A 44 1.550 3.931 8.687 1.00 0.00 C ATOM 644 CD LYS A 44 0.920 3.184 9.851 1.00 0.00 C ATOM 645 CE LYS A 44 -0.517 3.625 10.084 1.00 0.00 C ATOM 646 NZ LYS A 44 -1.439 3.083 9.049 1.00 0.00 N ATOM 0 H LYS A 44 2.693 3.307 6.205 1.00 0.00 H new ATOM 0 HA LYS A 44 3.384 5.554 7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.237 2.643 8.435 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.488 3.936 9.591 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.350 4.998 8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.090 3.607 7.754 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.945 2.112 9.653 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.505 3.355 10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.843 3.294 11.070 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.568 4.714 10.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.375 3.525 9.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.060 3.291 8.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.528 2.054 9.168 1.00 0.00 H new ATOM 660 N GLU A 45 5.935 3.489 7.349 1.00 0.00 N ATOM 661 CA GLU A 45 7.378 3.382 7.526 1.00 0.00 C ATOM 662 C GLU A 45 8.099 4.528 6.822 1.00 0.00 C ATOM 663 O GLU A 45 8.597 5.451 7.466 1.00 0.00 O ATOM 664 CB GLU A 45 7.882 2.041 6.988 1.00 0.00 C ATOM 665 CG GLU A 45 9.345 1.772 7.300 1.00 0.00 C ATOM 666 CD GLU A 45 9.582 1.469 8.766 1.00 0.00 C ATOM 667 OE1 GLU A 45 9.154 2.276 9.616 1.00 0.00 O ATOM 668 OE2 GLU A 45 10.197 0.422 9.063 1.00 0.00 O ATOM 0 H GLU A 45 5.510 2.699 6.863 1.00 0.00 H new ATOM 0 HA GLU A 45 7.593 3.441 8.593 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.276 1.239 7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.739 2.015 5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.693 0.932 6.698 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.940 2.639 7.011 1.00 0.00 H new ATOM 675 N GLY A 46 8.151 4.462 5.495 1.00 0.00 N ATOM 676 CA GLY A 46 8.814 5.499 4.726 1.00 0.00 C ATOM 677 C GLY A 46 9.950 4.957 3.882 1.00 0.00 C ATOM 678 O GLY A 46 9.995 5.181 2.672 1.00 0.00 O ATOM 0 H GLY A 46 7.746 3.709 4.939 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.086 5.989 4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.200 6.260 5.405 1.00 0.00 H new ATOM 682 N LEU A 47 10.871 4.245 4.521 1.00 0.00 N ATOM 683 CA LEU A 47 12.016 3.671 3.820 1.00 0.00 C ATOM 684 C LEU A 47 11.607 3.147 2.447 1.00 0.00 C ATOM 685 O LEU A 47 12.235 3.466 1.438 1.00 0.00 O ATOM 686 CB LEU A 47 12.630 2.541 4.647 1.00 0.00 C ATOM 687 CG LEU A 47 13.851 1.851 4.038 1.00 0.00 C ATOM 688 CD1 LEU A 47 14.764 1.317 5.132 1.00 0.00 C ATOM 689 CD2 LEU A 47 13.419 0.728 3.107 1.00 0.00 C ATOM 0 H LEU A 47 10.848 4.051 5.522 1.00 0.00 H new ATOM 0 HA LEU A 47 12.758 4.457 3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.912 2.942 5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.862 1.788 4.823 1.00 0.00 H new ATOM 0 HG LEU A 47 14.407 2.586 3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.627 0.829 4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.101 2.142 5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.219 0.597 5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.301 0.248 2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.840 -0.006 3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.806 1.137 2.304 1.00 0.00 H new ATOM 701 N GLU A 48 10.549 2.342 2.417 1.00 0.00 N ATOM 702 CA GLU A 48 10.056 1.776 1.167 1.00 0.00 C ATOM 703 C GLU A 48 8.900 2.603 0.613 1.00 0.00 C ATOM 704 O GLU A 48 7.803 2.612 1.175 1.00 0.00 O ATOM 705 CB GLU A 48 9.606 0.328 1.380 1.00 0.00 C ATOM 706 CG GLU A 48 10.711 -0.691 1.157 1.00 0.00 C ATOM 707 CD GLU A 48 10.175 -2.089 0.919 1.00 0.00 C ATOM 708 OE1 GLU A 48 9.477 -2.293 -0.097 1.00 0.00 O ATOM 709 OE2 GLU A 48 10.453 -2.981 1.748 1.00 0.00 O ATOM 0 H GLU A 48 10.018 2.068 3.243 1.00 0.00 H new ATOM 0 HA GLU A 48 10.871 1.794 0.444 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.224 0.221 2.395 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.780 0.110 0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.314 -0.386 0.301 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.371 -0.702 2.024 1.00 0.00 H new ATOM 716 N THR A 49 9.152 3.297 -0.492 1.00 0.00 N ATOM 717 CA THR A 49 8.135 4.129 -1.121 1.00 0.00 C ATOM 718 C THR A 49 7.282 3.317 -2.089 1.00 0.00 C ATOM 719 O THR A 49 6.053 3.374 -2.046 1.00 0.00 O ATOM 720 CB THR A 49 8.766 5.312 -1.879 1.00 0.00 C ATOM 721 OG1 THR A 49 9.703 4.828 -2.849 1.00 0.00 O ATOM 722 CG2 THR A 49 9.466 6.260 -0.917 1.00 0.00 C ATOM 0 H THR A 49 10.053 3.299 -0.970 1.00 0.00 H new ATOM 0 HA THR A 49 7.504 4.515 -0.321 1.00 0.00 H new ATOM 0 HB THR A 49 7.970 5.858 -2.385 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.099 5.586 -3.328 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.904 7.087 -1.476 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.744 6.649 -0.199 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.253 5.724 -0.386 1.00 0.00 H new ATOM 730 N ALA A 50 7.942 2.561 -2.960 1.00 0.00 N ATOM 731 CA ALA A 50 7.243 1.734 -3.936 1.00 0.00 C ATOM 732 C ALA A 50 6.676 0.477 -3.286 1.00 0.00 C ATOM 733 O ALA A 50 7.422 -0.394 -2.840 1.00 0.00 O ATOM 734 CB ALA A 50 8.178 1.363 -5.079 1.00 0.00 C ATOM 0 H ALA A 50 8.959 2.504 -3.010 1.00 0.00 H new ATOM 0 HA ALA A 50 6.410 2.312 -4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.643 0.745 -5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.531 2.270 -5.569 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.030 0.807 -4.687 1.00 0.00 H new ATOM 740 N ILE A 51 5.351 0.391 -3.234 1.00 0.00 N ATOM 741 CA ILE A 51 4.683 -0.760 -2.640 1.00 0.00 C ATOM 742 C ILE A 51 4.546 -1.898 -3.645 1.00 0.00 C ATOM 743 O ILE A 51 3.588 -1.946 -4.416 1.00 0.00 O ATOM 744 CB ILE A 51 3.286 -0.388 -2.108 1.00 0.00 C ATOM 745 CG1 ILE A 51 3.381 0.793 -1.141 1.00 0.00 C ATOM 746 CG2 ILE A 51 2.641 -1.586 -1.427 1.00 0.00 C ATOM 747 CD1 ILE A 51 2.040 1.255 -0.617 1.00 0.00 C ATOM 0 H ILE A 51 4.719 1.105 -3.596 1.00 0.00 H new ATOM 0 HA ILE A 51 5.305 -1.089 -1.807 1.00 0.00 H new ATOM 0 HB ILE A 51 2.661 -0.094 -2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.014 0.512 -0.299 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.872 1.626 -1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.655 -1.307 -1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.542 -2.402 -2.143 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.264 -1.909 -0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.185 2.095 0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.411 1.567 -1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.556 0.436 -0.084 1.00 0.00 H new ATOM 759 N SER A 52 5.510 -2.813 -3.630 1.00 0.00 N ATOM 760 CA SER A 52 5.498 -3.950 -4.541 1.00 0.00 C ATOM 761 C SER A 52 4.445 -4.973 -4.122 1.00 0.00 C ATOM 762 O SER A 52 3.754 -4.793 -3.120 1.00 0.00 O ATOM 763 CB SER A 52 6.878 -4.612 -4.584 1.00 0.00 C ATOM 764 OG SER A 52 7.869 -3.694 -5.012 1.00 0.00 O ATOM 0 H SER A 52 6.309 -2.789 -2.997 1.00 0.00 H new ATOM 0 HA SER A 52 5.247 -3.582 -5.536 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.133 -4.993 -3.595 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.854 -5.467 -5.259 1.00 0.00 H new ATOM 0 HG SER A 52 8.742 -4.139 -5.030 1.00 0.00 H new ATOM 770 N CYS A 53 4.330 -6.045 -4.899 1.00 0.00 N ATOM 771 CA CYS A 53 3.361 -7.096 -4.611 1.00 0.00 C ATOM 772 C CYS A 53 3.663 -7.761 -3.271 1.00 0.00 C ATOM 773 O CYS A 53 4.810 -8.069 -2.947 1.00 0.00 O ATOM 774 CB CYS A 53 3.368 -8.144 -5.726 1.00 0.00 C ATOM 775 SG CYS A 53 2.201 -9.517 -5.463 1.00 0.00 S ATOM 0 H CYS A 53 4.895 -6.209 -5.732 1.00 0.00 H new ATOM 0 HA CYS A 53 2.372 -6.640 -4.556 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.130 -7.655 -6.671 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.375 -8.550 -5.822 1.00 0.00 H new ATOM 0 HG CYS A 53 2.122 -10.233 -6.545 1.00 0.00 H new ATOM 780 N PRO A 54 2.609 -7.989 -2.473 1.00 0.00 N ATOM 781 CA PRO A 54 2.736 -8.621 -1.156 1.00 0.00 C ATOM 782 C PRO A 54 3.104 -10.097 -1.253 1.00 0.00 C ATOM 783 O PRO A 54 3.177 -10.796 -0.243 1.00 0.00 O ATOM 784 CB PRO A 54 1.339 -8.457 -0.550 1.00 0.00 C ATOM 785 CG PRO A 54 0.427 -8.348 -1.721 1.00 0.00 C ATOM 786 CD PRO A 54 1.213 -7.647 -2.795 1.00 0.00 C ATOM 0 HA PRO A 54 3.531 -8.170 -0.562 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.077 -9.309 0.077 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.283 -7.569 0.079 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.102 -9.333 -2.055 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.471 -7.786 -1.465 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.933 -7.994 -3.790 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.048 -6.570 -2.776 1.00 0.00 H new ATOM 794 N ASP A 55 3.336 -10.564 -2.476 1.00 0.00 N ATOM 795 CA ASP A 55 3.699 -11.957 -2.704 1.00 0.00 C ATOM 796 C ASP A 55 5.128 -12.068 -3.226 1.00 0.00 C ATOM 797 O ASP A 55 5.385 -11.854 -4.411 1.00 0.00 O ATOM 798 CB ASP A 55 2.729 -12.603 -3.695 1.00 0.00 C ATOM 799 CG ASP A 55 2.835 -14.115 -3.707 1.00 0.00 C ATOM 800 OD1 ASP A 55 3.946 -14.635 -3.471 1.00 0.00 O ATOM 801 OD2 ASP A 55 1.806 -14.780 -3.952 1.00 0.00 O ATOM 0 H ASP A 55 3.279 -9.998 -3.323 1.00 0.00 H new ATOM 0 HA ASP A 55 3.638 -12.483 -1.752 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.709 -12.315 -3.440 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.928 -12.220 -4.696 1.00 0.00 H new ATOM 806 N ALA A 56 6.055 -12.402 -2.335 1.00 0.00 N ATOM 807 CA ALA A 56 7.457 -12.543 -2.706 1.00 0.00 C ATOM 808 C ALA A 56 7.635 -13.591 -3.799 1.00 0.00 C ATOM 809 O ALA A 56 8.597 -13.547 -4.564 1.00 0.00 O ATOM 810 CB ALA A 56 8.292 -12.902 -1.486 1.00 0.00 C ATOM 0 H ALA A 56 5.860 -12.580 -1.350 1.00 0.00 H new ATOM 0 HA ALA A 56 7.800 -11.586 -3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.337 -13.004 -1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.200 -12.115 -0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.938 -13.844 -1.067 1.00 0.00 H new ATOM 816 N ALA A 57 6.699 -14.533 -3.865 1.00 0.00 N ATOM 817 CA ALA A 57 6.752 -15.592 -4.865 1.00 0.00 C ATOM 818 C ALA A 57 6.050 -15.169 -6.150 1.00 0.00 C ATOM 819 O ALA A 57 5.560 -16.007 -6.908 1.00 0.00 O ATOM 820 CB ALA A 57 6.129 -16.867 -4.316 1.00 0.00 C ATOM 0 H ALA A 57 5.896 -14.584 -3.238 1.00 0.00 H new ATOM 0 HA ALA A 57 7.799 -15.784 -5.100 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.175 -17.650 -5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.676 -17.187 -3.429 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.088 -16.679 -4.052 1.00 0.00 H new ATOM 826 N CYS A 58 6.004 -13.863 -6.391 1.00 0.00 N ATOM 827 CA CYS A 58 5.361 -13.327 -7.585 1.00 0.00 C ATOM 828 C CYS A 58 6.356 -13.216 -8.736 1.00 0.00 C ATOM 829 O CYS A 58 7.253 -12.373 -8.734 1.00 0.00 O ATOM 830 CB CYS A 58 4.751 -11.955 -7.289 1.00 0.00 C ATOM 831 SG CYS A 58 3.780 -11.260 -8.665 1.00 0.00 S ATOM 0 H CYS A 58 6.405 -13.156 -5.775 1.00 0.00 H new ATOM 0 HA CYS A 58 4.568 -14.014 -7.879 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.110 -12.036 -6.411 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.552 -11.260 -7.036 1.00 0.00 H new ATOM 0 HG CYS A 58 2.512 -11.421 -8.426 1.00 0.00 H new ATOM 836 N PRO A 59 6.195 -14.087 -9.743 1.00 0.00 N ATOM 837 CA PRO A 59 7.069 -14.106 -10.920 1.00 0.00 C ATOM 838 C PRO A 59 6.868 -12.885 -11.812 1.00 0.00 C ATOM 839 O PRO A 59 7.583 -12.699 -12.797 1.00 0.00 O ATOM 840 CB PRO A 59 6.646 -15.381 -11.655 1.00 0.00 C ATOM 841 CG PRO A 59 5.238 -15.614 -11.228 1.00 0.00 C ATOM 842 CD PRO A 59 5.146 -15.118 -9.812 1.00 0.00 C ATOM 0 HA PRO A 59 8.124 -14.086 -10.645 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.717 -15.257 -12.736 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.285 -16.223 -11.388 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.541 -15.080 -11.874 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.982 -16.672 -11.288 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.161 -14.705 -9.594 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.322 -15.919 -9.094 1.00 0.00 H new ATOM 850 N LYS A 60 5.890 -12.058 -11.461 1.00 0.00 N ATOM 851 CA LYS A 60 5.595 -10.853 -12.229 1.00 0.00 C ATOM 852 C LYS A 60 6.128 -9.612 -11.520 1.00 0.00 C ATOM 853 O LYS A 60 6.424 -8.602 -12.158 1.00 0.00 O ATOM 854 CB LYS A 60 4.086 -10.720 -12.447 1.00 0.00 C ATOM 855 CG LYS A 60 3.451 -11.946 -13.078 1.00 0.00 C ATOM 856 CD LYS A 60 3.847 -12.090 -14.539 1.00 0.00 C ATOM 857 CE LYS A 60 3.481 -13.462 -15.083 1.00 0.00 C ATOM 858 NZ LYS A 60 4.581 -14.449 -14.887 1.00 0.00 N ATOM 0 H LYS A 60 5.288 -12.199 -10.650 1.00 0.00 H new ATOM 0 HA LYS A 60 6.090 -10.938 -13.196 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.605 -10.525 -11.488 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.894 -9.855 -13.082 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.754 -12.837 -12.528 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.366 -11.876 -12.999 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.351 -11.319 -15.129 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.920 -11.930 -14.644 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.579 -13.820 -14.587 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.250 -13.382 -16.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.231 -15.405 -15.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.370 -14.221 -15.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.911 -14.410 -13.902 1.00 0.00 H new ATOM 872 N GLN A 61 6.250 -9.696 -10.200 1.00 0.00 N ATOM 873 CA GLN A 61 6.749 -8.580 -9.406 1.00 0.00 C ATOM 874 C GLN A 61 6.027 -7.288 -9.771 1.00 0.00 C ATOM 875 O GLN A 61 6.656 -6.284 -10.103 1.00 0.00 O ATOM 876 CB GLN A 61 8.255 -8.412 -9.614 1.00 0.00 C ATOM 877 CG GLN A 61 9.046 -9.690 -9.387 1.00 0.00 C ATOM 878 CD GLN A 61 10.521 -9.526 -9.698 1.00 0.00 C ATOM 879 OE1 GLN A 61 10.895 -9.123 -10.799 1.00 0.00 O ATOM 880 NE2 GLN A 61 11.370 -9.839 -8.724 1.00 0.00 N ATOM 0 H GLN A 61 6.010 -10.526 -9.657 1.00 0.00 H new ATOM 0 HA GLN A 61 6.556 -8.799 -8.356 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.436 -8.058 -10.629 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.623 -7.641 -8.937 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.930 -10.005 -8.350 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.633 -10.484 -10.010 1.00 0.00 H new ATOM 0 HE21 GLN A 61 11.017 -10.169 -7.826 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.375 -9.749 -8.875 1.00 0.00 H new ATOM 889 N GLY A 62 4.699 -7.319 -9.705 1.00 0.00 N ATOM 890 CA GLY A 62 3.912 -6.143 -10.031 1.00 0.00 C ATOM 891 C GLY A 62 3.823 -5.166 -8.877 1.00 0.00 C ATOM 892 O GLY A 62 3.790 -5.569 -7.713 1.00 0.00 O ATOM 0 H GLY A 62 4.154 -8.137 -9.432 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.353 -5.643 -10.893 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.907 -6.451 -10.320 1.00 0.00 H new ATOM 896 N HIS A 63 3.787 -3.876 -9.196 1.00 0.00 N ATOM 897 CA HIS A 63 3.703 -2.837 -8.175 1.00 0.00 C ATOM 898 C HIS A 63 2.278 -2.309 -8.054 1.00 0.00 C ATOM 899 O HIS A 63 1.439 -2.550 -8.923 1.00 0.00 O ATOM 900 CB HIS A 63 4.659 -1.689 -8.506 1.00 0.00 C ATOM 901 CG HIS A 63 4.374 -0.434 -7.741 1.00 0.00 C ATOM 902 ND1 HIS A 63 3.790 0.677 -8.310 1.00 0.00 N ATOM 903 CD2 HIS A 63 4.593 -0.119 -6.442 1.00 0.00 C ATOM 904 CE1 HIS A 63 3.665 1.623 -7.396 1.00 0.00 C ATOM 905 NE2 HIS A 63 4.145 1.165 -6.254 1.00 0.00 N ATOM 0 H HIS A 63 3.815 -3.525 -10.153 1.00 0.00 H new ATOM 0 HA HIS A 63 3.991 -3.276 -7.220 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.681 -2.007 -8.299 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.602 -1.475 -9.573 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.500 0.757 -9.285 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.037 -0.759 -5.694 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.242 2.604 -7.556 1.00 0.00 H new ATOM 913 N LEU A 64 2.010 -1.587 -6.971 1.00 0.00 N ATOM 914 CA LEU A 64 0.684 -1.025 -6.736 1.00 0.00 C ATOM 915 C LEU A 64 0.645 0.453 -7.110 1.00 0.00 C ATOM 916 O LEU A 64 1.272 1.285 -6.455 1.00 0.00 O ATOM 917 CB LEU A 64 0.287 -1.201 -5.269 1.00 0.00 C ATOM 918 CG LEU A 64 -0.394 -2.524 -4.914 1.00 0.00 C ATOM 919 CD1 LEU A 64 -1.685 -2.688 -5.700 1.00 0.00 C ATOM 920 CD2 LEU A 64 0.543 -3.694 -5.173 1.00 0.00 C ATOM 0 H LEU A 64 2.692 -1.377 -6.243 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.027 -1.560 -7.366 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.183 -1.100 -4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.382 -0.385 -4.993 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.639 -2.510 -3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.155 -3.635 -5.434 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.362 -1.867 -5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.465 -2.680 -6.767 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.041 -4.626 -4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.821 -3.711 -6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.440 -3.584 -4.563 1.00 0.00 H new ATOM 932 N GLN A 65 -0.097 0.772 -8.166 1.00 0.00 N ATOM 933 CA GLN A 65 -0.218 2.151 -8.625 1.00 0.00 C ATOM 934 C GLN A 65 -0.790 3.042 -7.528 1.00 0.00 C ATOM 935 O GLN A 65 -1.326 2.552 -6.535 1.00 0.00 O ATOM 936 CB GLN A 65 -1.105 2.219 -9.869 1.00 0.00 C ATOM 937 CG GLN A 65 -0.523 1.495 -11.073 1.00 0.00 C ATOM 938 CD GLN A 65 -1.582 1.097 -12.082 1.00 0.00 C ATOM 939 OE1 GLN A 65 -2.547 1.827 -12.309 1.00 0.00 O ATOM 940 NE2 GLN A 65 -1.407 -0.069 -12.695 1.00 0.00 N ATOM 0 H GLN A 65 -0.623 0.095 -8.719 1.00 0.00 H new ATOM 0 HA GLN A 65 0.779 2.513 -8.877 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.079 1.790 -9.634 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -1.271 3.264 -10.130 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.212 2.137 -11.558 1.00 0.00 H new ATOM 0 HG3 GLN A 65 0.005 0.603 -10.736 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.592 -0.643 -12.477 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.087 -0.390 -13.384 1.00 0.00 H new ATOM 949 N GLU A 66 -0.671 4.352 -7.716 1.00 0.00 N ATOM 950 CA GLU A 66 -1.176 5.312 -6.740 1.00 0.00 C ATOM 951 C GLU A 66 -2.674 5.123 -6.516 1.00 0.00 C ATOM 952 O GLU A 66 -3.110 4.793 -5.414 1.00 0.00 O ATOM 953 CB GLU A 66 -0.895 6.742 -7.206 1.00 0.00 C ATOM 954 CG GLU A 66 0.402 7.317 -6.662 1.00 0.00 C ATOM 955 CD GLU A 66 1.039 8.315 -7.608 1.00 0.00 C ATOM 956 OE1 GLU A 66 0.993 8.085 -8.835 1.00 0.00 O ATOM 957 OE2 GLU A 66 1.586 9.328 -7.122 1.00 0.00 O ATOM 0 H GLU A 66 -0.230 4.773 -8.534 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.660 5.137 -5.796 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.862 6.760 -8.295 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.722 7.383 -6.902 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.207 7.802 -5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.103 6.505 -6.471 1.00 0.00 H new ATOM 964 N ASN A 67 -3.455 5.334 -7.570 1.00 0.00 N ATOM 965 CA ASN A 67 -4.904 5.189 -7.489 1.00 0.00 C ATOM 966 C ASN A 67 -5.281 3.930 -6.714 1.00 0.00 C ATOM 967 O ASN A 67 -6.239 3.930 -5.941 1.00 0.00 O ATOM 968 CB ASN A 67 -5.512 5.139 -8.892 1.00 0.00 C ATOM 969 CG ASN A 67 -6.832 4.392 -8.924 1.00 0.00 C ATOM 970 OD1 ASN A 67 -7.586 4.400 -7.951 1.00 0.00 O ATOM 971 ND2 ASN A 67 -7.116 3.740 -10.046 1.00 0.00 N ATOM 0 H ASN A 67 -3.109 5.606 -8.490 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.302 6.054 -6.959 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.664 6.155 -9.256 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.809 4.659 -9.573 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.989 3.218 -10.126 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.461 3.761 -10.828 1.00 0.00 H new ATOM 978 N GLU A 68 -4.521 2.861 -6.926 1.00 0.00 N ATOM 979 CA GLU A 68 -4.776 1.595 -6.247 1.00 0.00 C ATOM 980 C GLU A 68 -4.633 1.750 -4.736 1.00 0.00 C ATOM 981 O GLU A 68 -5.433 1.217 -3.967 1.00 0.00 O ATOM 982 CB GLU A 68 -3.818 0.516 -6.754 1.00 0.00 C ATOM 983 CG GLU A 68 -4.271 -0.143 -8.046 1.00 0.00 C ATOM 984 CD GLU A 68 -5.196 -1.321 -7.805 1.00 0.00 C ATOM 985 OE1 GLU A 68 -6.147 -1.175 -7.010 1.00 0.00 O ATOM 986 OE2 GLU A 68 -4.968 -2.388 -8.413 1.00 0.00 O ATOM 0 H GLU A 68 -3.724 2.845 -7.562 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.800 1.293 -6.468 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.834 0.959 -6.908 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.707 -0.249 -5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.781 0.594 -8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.397 -0.480 -8.604 1.00 0.00 H new ATOM 993 N ILE A 69 -3.606 2.484 -4.318 1.00 0.00 N ATOM 994 CA ILE A 69 -3.357 2.710 -2.899 1.00 0.00 C ATOM 995 C ILE A 69 -4.344 3.718 -2.321 1.00 0.00 C ATOM 996 O ILE A 69 -4.955 3.477 -1.281 1.00 0.00 O ATOM 997 CB ILE A 69 -1.922 3.213 -2.653 1.00 0.00 C ATOM 998 CG1 ILE A 69 -0.905 2.181 -3.145 1.00 0.00 C ATOM 999 CG2 ILE A 69 -1.711 3.508 -1.175 1.00 0.00 C ATOM 1000 CD1 ILE A 69 0.395 2.793 -3.618 1.00 0.00 C ATOM 0 H ILE A 69 -2.934 2.932 -4.941 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.488 1.750 -2.399 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.775 4.136 -3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.694 1.478 -2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.346 1.608 -3.961 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.693 3.863 -1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.416 4.274 -0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.873 2.599 -0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.068 2.004 -3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.196 3.475 -4.445 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.858 3.342 -2.798 1.00 0.00 H new ATOM 1012 N GLU A 70 -4.495 4.848 -3.005 1.00 0.00 N ATOM 1013 CA GLU A 70 -5.410 5.893 -2.559 1.00 0.00 C ATOM 1014 C GLU A 70 -6.681 5.289 -1.970 1.00 0.00 C ATOM 1015 O GLU A 70 -6.938 5.406 -0.771 1.00 0.00 O ATOM 1016 CB GLU A 70 -5.765 6.821 -3.724 1.00 0.00 C ATOM 1017 CG GLU A 70 -6.671 7.974 -3.327 1.00 0.00 C ATOM 1018 CD GLU A 70 -7.480 8.508 -4.494 1.00 0.00 C ATOM 1019 OE1 GLU A 70 -7.898 7.698 -5.346 1.00 0.00 O ATOM 1020 OE2 GLU A 70 -7.694 9.737 -4.553 1.00 0.00 O ATOM 0 H GLU A 70 -3.997 5.063 -3.869 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.910 6.471 -1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.846 7.222 -4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.253 6.239 -4.506 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.349 7.644 -2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.067 8.779 -2.910 1.00 0.00 H new ATOM 1027 N CYS A 71 -7.472 4.644 -2.820 1.00 0.00 N ATOM 1028 CA CYS A 71 -8.717 4.022 -2.384 1.00 0.00 C ATOM 1029 C CYS A 71 -8.464 3.033 -1.251 1.00 0.00 C ATOM 1030 O CYS A 71 -9.275 2.902 -0.335 1.00 0.00 O ATOM 1031 CB CYS A 71 -9.394 3.310 -3.556 1.00 0.00 C ATOM 1032 SG CYS A 71 -11.137 2.921 -3.277 1.00 0.00 S ATOM 0 H CYS A 71 -7.273 4.538 -3.815 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.376 4.808 -2.016 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.310 3.936 -4.444 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -8.856 2.386 -3.765 1.00 0.00 H new ATOM 0 HG CYS A 71 -11.621 2.322 -4.325 1.00 0.00 H new ATOM 1038 N MET A 72 -7.332 2.339 -1.320 1.00 0.00 N ATOM 1039 CA MET A 72 -6.972 1.361 -0.299 1.00 0.00 C ATOM 1040 C MET A 72 -6.892 2.015 1.076 1.00 0.00 C ATOM 1041 O MET A 72 -7.734 1.771 1.941 1.00 0.00 O ATOM 1042 CB MET A 72 -5.635 0.703 -0.643 1.00 0.00 C ATOM 1043 CG MET A 72 -5.471 -0.687 -0.051 1.00 0.00 C ATOM 1044 SD MET A 72 -6.099 -1.983 -1.136 1.00 0.00 S ATOM 1045 CE MET A 72 -4.720 -2.180 -2.261 1.00 0.00 C ATOM 0 H MET A 72 -6.649 2.436 -2.071 1.00 0.00 H new ATOM 0 HA MET A 72 -7.749 0.597 -0.273 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.538 0.641 -1.727 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.824 1.339 -0.287 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.416 -0.869 0.152 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.993 -0.734 0.905 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.927 -2.998 -2.951 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.576 -1.258 -2.825 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.817 -2.404 -1.694 1.00 0.00 H new ATOM 1055 N VAL A 73 -5.875 2.847 1.273 1.00 0.00 N ATOM 1056 CA VAL A 73 -5.685 3.537 2.544 1.00 0.00 C ATOM 1057 C VAL A 73 -6.581 4.766 2.639 1.00 0.00 C ATOM 1058 O VAL A 73 -7.252 5.134 1.676 1.00 0.00 O ATOM 1059 CB VAL A 73 -4.219 3.968 2.735 1.00 0.00 C ATOM 1060 CG1 VAL A 73 -3.285 2.780 2.559 1.00 0.00 C ATOM 1061 CG2 VAL A 73 -3.861 5.085 1.766 1.00 0.00 C ATOM 0 H VAL A 73 -5.169 3.060 0.568 1.00 0.00 H new ATOM 0 HA VAL A 73 -5.954 2.832 3.331 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.100 4.346 3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.254 3.104 2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.527 2.015 3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.404 2.369 1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.821 5.377 1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.997 4.736 0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.508 5.944 1.945 1.00 0.00 H new ATOM 1071 N ALA A 74 -6.587 5.397 3.809 1.00 0.00 N ATOM 1072 CA ALA A 74 -7.399 6.587 4.031 1.00 0.00 C ATOM 1073 C ALA A 74 -6.618 7.855 3.702 1.00 0.00 C ATOM 1074 O ALA A 74 -5.400 7.816 3.526 1.00 0.00 O ATOM 1075 CB ALA A 74 -7.893 6.627 5.470 1.00 0.00 C ATOM 0 H ALA A 74 -6.039 5.104 4.617 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.259 6.539 3.364 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.498 7.521 5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.496 5.742 5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.039 6.647 6.147 1.00 0.00 H new ATOM 1081 N ALA A 75 -7.325 8.976 3.621 1.00 0.00 N ATOM 1082 CA ALA A 75 -6.697 10.256 3.313 1.00 0.00 C ATOM 1083 C ALA A 75 -5.570 10.562 4.293 1.00 0.00 C ATOM 1084 O ALA A 75 -4.505 11.036 3.899 1.00 0.00 O ATOM 1085 CB ALA A 75 -7.733 11.369 3.331 1.00 0.00 C ATOM 0 H ALA A 75 -8.334 9.025 3.764 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.267 10.192 2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.251 12.319 3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.502 11.162 2.587 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.189 11.425 4.319 1.00 0.00 H new ATOM 1091 N GLU A 76 -5.812 10.289 5.571 1.00 0.00 N ATOM 1092 CA GLU A 76 -4.816 10.539 6.607 1.00 0.00 C ATOM 1093 C GLU A 76 -3.537 9.752 6.333 1.00 0.00 C ATOM 1094 O GLU A 76 -2.460 10.113 6.806 1.00 0.00 O ATOM 1095 CB GLU A 76 -5.373 10.164 7.982 1.00 0.00 C ATOM 1096 CG GLU A 76 -6.030 8.796 8.020 1.00 0.00 C ATOM 1097 CD GLU A 76 -7.510 8.849 7.695 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -7.959 9.875 7.141 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -8.221 7.867 7.995 1.00 0.00 O ATOM 0 H GLU A 76 -6.688 9.895 5.914 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.578 11.603 6.597 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.564 10.189 8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.101 10.916 8.287 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.530 8.137 7.310 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.895 8.360 9.010 1.00 0.00 H new ATOM 1106 N ILE A 77 -3.666 8.674 5.566 1.00 0.00 N ATOM 1107 CA ILE A 77 -2.522 7.836 5.229 1.00 0.00 C ATOM 1108 C ILE A 77 -1.934 8.228 3.877 1.00 0.00 C ATOM 1109 O ILE A 77 -0.767 8.603 3.782 1.00 0.00 O ATOM 1110 CB ILE A 77 -2.905 6.345 5.197 1.00 0.00 C ATOM 1111 CG1 ILE A 77 -3.297 5.867 6.597 1.00 0.00 C ATOM 1112 CG2 ILE A 77 -1.755 5.514 4.650 1.00 0.00 C ATOM 1113 CD1 ILE A 77 -2.122 5.729 7.538 1.00 0.00 C ATOM 0 H ILE A 77 -4.551 8.361 5.167 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.775 7.993 6.007 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.763 6.219 4.537 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.014 6.568 7.024 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.802 4.905 6.516 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.041 4.462 4.634 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.519 5.841 3.638 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.879 5.642 5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.474 5.387 8.511 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.414 5.006 7.133 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.630 6.695 7.649 1.00 0.00 H new ATOM 1125 N MET A 78 -2.753 8.139 2.833 1.00 0.00 N ATOM 1126 CA MET A 78 -2.315 8.486 1.488 1.00 0.00 C ATOM 1127 C MET A 78 -1.330 9.650 1.520 1.00 0.00 C ATOM 1128 O MET A 78 -0.296 9.619 0.853 1.00 0.00 O ATOM 1129 CB MET A 78 -3.518 8.844 0.613 1.00 0.00 C ATOM 1130 CG MET A 78 -3.171 9.023 -0.856 1.00 0.00 C ATOM 1131 SD MET A 78 -2.513 7.518 -1.601 1.00 0.00 S ATOM 1132 CE MET A 78 -1.505 8.204 -2.914 1.00 0.00 C ATOM 0 H MET A 78 -3.723 7.829 2.894 1.00 0.00 H new ATOM 0 HA MET A 78 -1.811 7.619 1.062 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.271 8.061 0.707 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.967 9.764 0.986 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.062 9.334 -1.401 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.439 9.824 -0.958 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.960 7.402 -3.412 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.144 8.711 -3.637 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.796 8.917 -2.494 1.00 0.00 H new ATOM 1142 N GLN A 79 -1.659 10.677 2.298 1.00 0.00 N ATOM 1143 CA GLN A 79 -0.803 11.851 2.415 1.00 0.00 C ATOM 1144 C GLN A 79 0.653 11.445 2.620 1.00 0.00 C ATOM 1145 O GLN A 79 1.546 11.924 1.920 1.00 0.00 O ATOM 1146 CB GLN A 79 -1.266 12.733 3.576 1.00 0.00 C ATOM 1147 CG GLN A 79 -0.808 14.178 3.464 1.00 0.00 C ATOM 1148 CD GLN A 79 -1.263 14.835 2.176 1.00 0.00 C ATOM 1149 OE1 GLN A 79 -0.716 14.572 1.104 1.00 0.00 O ATOM 1150 NE2 GLN A 79 -2.269 15.697 2.274 1.00 0.00 N ATOM 0 H GLN A 79 -2.512 10.719 2.856 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.877 12.417 1.486 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.355 12.709 3.628 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.893 12.314 4.511 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.193 14.744 4.312 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.280 14.216 3.523 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.693 15.885 3.183 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.618 16.171 1.441 1.00 0.00 H new ATOM 1159 N ARG A 80 0.886 10.559 3.582 1.00 0.00 N ATOM 1160 CA ARG A 80 2.234 10.090 3.881 1.00 0.00 C ATOM 1161 C ARG A 80 2.905 9.535 2.628 1.00 0.00 C ATOM 1162 O ARG A 80 4.105 9.718 2.421 1.00 0.00 O ATOM 1163 CB ARG A 80 2.195 9.017 4.970 1.00 0.00 C ATOM 1164 CG ARG A 80 1.756 9.542 6.327 1.00 0.00 C ATOM 1165 CD ARG A 80 1.046 8.468 7.136 1.00 0.00 C ATOM 1166 NE ARG A 80 0.774 8.904 8.503 1.00 0.00 N ATOM 1167 CZ ARG A 80 1.708 9.000 9.443 1.00 0.00 C ATOM 1168 NH1 ARG A 80 2.967 8.693 9.165 1.00 0.00 N ATOM 1169 NH2 ARG A 80 1.382 9.404 10.664 1.00 0.00 N ATOM 0 H ARG A 80 0.158 10.151 4.169 1.00 0.00 H new ATOM 0 HA ARG A 80 2.816 10.939 4.240 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.517 8.222 4.661 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.185 8.572 5.065 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.625 9.900 6.879 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.092 10.395 6.191 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.109 8.205 6.646 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.658 7.566 7.158 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.185 9.148 8.750 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.221 8.382 8.227 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.682 8.768 9.889 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.414 9.641 10.881 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.099 9.478 11.385 1.00 0.00 H new ATOM 1183 N TYR A 81 2.123 8.854 1.797 1.00 0.00 N ATOM 1184 CA TYR A 81 2.642 8.269 0.565 1.00 0.00 C ATOM 1185 C TYR A 81 2.829 9.336 -0.508 1.00 0.00 C ATOM 1186 O TYR A 81 3.652 9.188 -1.412 1.00 0.00 O ATOM 1187 CB TYR A 81 1.699 7.178 0.058 1.00 0.00 C ATOM 1188 CG TYR A 81 2.115 6.588 -1.271 1.00 0.00 C ATOM 1189 CD1 TYR A 81 1.669 7.136 -2.467 1.00 0.00 C ATOM 1190 CD2 TYR A 81 2.954 5.482 -1.329 1.00 0.00 C ATOM 1191 CE1 TYR A 81 2.046 6.600 -3.682 1.00 0.00 C ATOM 1192 CE2 TYR A 81 3.338 4.939 -2.540 1.00 0.00 C ATOM 1193 CZ TYR A 81 2.881 5.502 -3.714 1.00 0.00 C ATOM 1194 OH TYR A 81 3.260 4.965 -4.924 1.00 0.00 O ATOM 0 H TYR A 81 1.128 8.693 1.954 1.00 0.00 H new ATOM 0 HA TYR A 81 3.614 7.827 0.784 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.647 6.381 0.800 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.695 7.592 -0.036 1.00 0.00 H new ATOM 0 HD1 TYR A 81 1.016 7.996 -2.446 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.312 5.039 -0.411 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.689 7.038 -4.603 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.992 4.080 -2.568 1.00 0.00 H new ATOM 0 HH TYR A 81 3.850 4.197 -4.771 1.00 0.00 H new ATOM 1204 N LYS A 82 2.057 10.413 -0.403 1.00 0.00 N ATOM 1205 CA LYS A 82 2.137 11.508 -1.363 1.00 0.00 C ATOM 1206 C LYS A 82 3.488 12.211 -1.275 1.00 0.00 C ATOM 1207 O LYS A 82 4.151 12.432 -2.290 1.00 0.00 O ATOM 1208 CB LYS A 82 1.010 12.513 -1.115 1.00 0.00 C ATOM 1209 CG LYS A 82 -0.349 12.035 -1.597 1.00 0.00 C ATOM 1210 CD LYS A 82 -1.237 13.199 -2.005 1.00 0.00 C ATOM 1211 CE LYS A 82 -0.958 13.638 -3.434 1.00 0.00 C ATOM 1212 NZ LYS A 82 -1.840 14.764 -3.850 1.00 0.00 N ATOM 0 H LYS A 82 1.369 10.551 0.337 1.00 0.00 H new ATOM 0 HA LYS A 82 2.030 11.090 -2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.953 12.726 -0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.254 13.450 -1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.219 11.361 -2.444 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.836 11.464 -0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.284 12.910 -1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.074 14.037 -1.327 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.085 13.941 -3.524 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.104 12.794 -4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.619 15.034 -4.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.835 14.467 -3.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.683 15.578 -3.222 1.00 0.00 H new ATOM 1226 N LYS A 83 3.891 12.561 -0.059 1.00 0.00 N ATOM 1227 CA LYS A 83 5.164 13.237 0.162 1.00 0.00 C ATOM 1228 C LYS A 83 6.331 12.275 -0.035 1.00 0.00 C ATOM 1229 O LYS A 83 7.387 12.658 -0.540 1.00 0.00 O ATOM 1230 CB LYS A 83 5.211 13.832 1.571 1.00 0.00 C ATOM 1231 CG LYS A 83 5.493 12.806 2.655 1.00 0.00 C ATOM 1232 CD LYS A 83 5.933 13.470 3.950 1.00 0.00 C ATOM 1233 CE LYS A 83 6.571 12.469 4.900 1.00 0.00 C ATOM 1234 NZ LYS A 83 8.026 12.297 4.631 1.00 0.00 N ATOM 0 H LYS A 83 3.354 12.387 0.790 1.00 0.00 H new ATOM 0 HA LYS A 83 5.252 14.042 -0.568 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.979 14.604 1.605 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.259 14.320 1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.598 12.211 2.836 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.269 12.120 2.315 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.643 14.267 3.729 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.073 13.934 4.433 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.429 12.803 5.928 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.068 11.507 4.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.423 11.607 5.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.161 11.954 3.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.511 13.210 4.747 1.00 0.00 H new ATOM 1248 N LEU A 84 6.135 11.024 0.367 1.00 0.00 N ATOM 1249 CA LEU A 84 7.171 10.006 0.233 1.00 0.00 C ATOM 1250 C LEU A 84 7.590 9.842 -1.225 1.00 0.00 C ATOM 1251 O LEU A 84 8.749 9.553 -1.518 1.00 0.00 O ATOM 1252 CB LEU A 84 6.676 8.669 0.787 1.00 0.00 C ATOM 1253 CG LEU A 84 6.956 8.410 2.268 1.00 0.00 C ATOM 1254 CD1 LEU A 84 6.321 7.101 2.710 1.00 0.00 C ATOM 1255 CD2 LEU A 84 8.454 8.396 2.533 1.00 0.00 C ATOM 0 H LEU A 84 5.268 10.690 0.788 1.00 0.00 H new ATOM 0 HA LEU A 84 8.039 10.330 0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.600 8.608 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.132 7.867 0.206 1.00 0.00 H new ATOM 0 HG LEU A 84 6.513 9.219 2.849 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.531 6.933 3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.243 7.150 2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.734 6.280 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.634 8.210 3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.921 7.608 1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.882 9.359 2.256 1.00 0.00 H new ATOM 1267 N GLN A 85 6.638 10.032 -2.133 1.00 0.00 N ATOM 1268 CA GLN A 85 6.908 9.906 -3.559 1.00 0.00 C ATOM 1269 C GLN A 85 7.692 11.109 -4.073 1.00 0.00 C ATOM 1270 O GLN A 85 8.645 10.961 -4.839 1.00 0.00 O ATOM 1271 CB GLN A 85 5.599 9.766 -4.338 1.00 0.00 C ATOM 1272 CG GLN A 85 5.048 8.349 -4.355 1.00 0.00 C ATOM 1273 CD GLN A 85 6.029 7.351 -4.938 1.00 0.00 C ATOM 1274 OE1 GLN A 85 6.659 7.607 -5.964 1.00 0.00 O ATOM 1275 NE2 GLN A 85 6.162 6.202 -4.285 1.00 0.00 N ATOM 0 H GLN A 85 5.673 10.274 -1.906 1.00 0.00 H new ATOM 0 HA GLN A 85 7.510 9.010 -3.711 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.854 10.431 -3.902 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.760 10.096 -5.364 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.792 8.050 -3.339 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.126 8.328 -4.935 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.620 6.031 -3.438 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.806 5.491 -4.631 1.00 0.00 H new ATOM 1284 N PHE A 86 7.286 12.300 -3.646 1.00 0.00 N ATOM 1285 CA PHE A 86 7.950 13.529 -4.064 1.00 0.00 C ATOM 1286 C PHE A 86 9.433 13.494 -3.707 1.00 0.00 C ATOM 1287 O PHE A 86 10.285 13.857 -4.517 1.00 0.00 O ATOM 1288 CB PHE A 86 7.285 14.742 -3.409 1.00 0.00 C ATOM 1289 CG PHE A 86 7.756 16.056 -3.962 1.00 0.00 C ATOM 1290 CD1 PHE A 86 8.896 16.665 -3.459 1.00 0.00 C ATOM 1291 CD2 PHE A 86 7.061 16.682 -4.984 1.00 0.00 C ATOM 1292 CE1 PHE A 86 9.331 17.875 -3.967 1.00 0.00 C ATOM 1293 CE2 PHE A 86 7.493 17.892 -5.495 1.00 0.00 C ATOM 1294 CZ PHE A 86 8.630 18.489 -4.986 1.00 0.00 C ATOM 0 H PHE A 86 6.500 12.440 -3.011 1.00 0.00 H new ATOM 0 HA PHE A 86 7.856 13.613 -5.147 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.205 14.668 -3.539 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.479 14.718 -2.337 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.449 16.189 -2.663 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.172 16.220 -5.386 1.00 0.00 H new ATOM 0 HE1 PHE A 86 10.220 18.340 -3.567 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.942 18.370 -6.291 1.00 0.00 H new ATOM 0 HZ PHE A 86 8.970 19.434 -5.384 1.00 0.00 H new