USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 556 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 57 HIS : no HD1:sc= 0.785 K(o=-12,f=-20!) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -14.2! C(o=-12!,f=-13!) USER MOD Set 1.3: A 85 SER OG : rot -62:sc= 1.23 USER MOD Set 2.1: A 31 THR OG1 : rot -176:sc= -0.162 USER MOD Set 2.2: A 34 HIS : no HD1:sc= 0 X(o=-0.16,f=-0.16) USER MOD Single : A 10 HIS : no HD1:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 22:sc= 0.549 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 60:sc= -3.01 USER MOD Single : A 38 MET CE :methyl -134:sc= -3.17! (180deg=-6.03!) USER MOD Single : A 56 CYS SG : rot -171:sc= -1.82! USER MOD Single : A 69 HIS : no HE2:sc= -0.451 X(o=-0.45,f=-0.46) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.456 X(o=-0.46,f=-0.051) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -9.311 -16.071 1.210 1.00 0.00 N ATOM 67 CA ARG A 8 -8.510 -15.235 0.331 1.00 0.00 C ATOM 68 C ARG A 8 -7.960 -14.032 1.100 1.00 0.00 C ATOM 69 O ARG A 8 -8.689 -13.382 1.847 1.00 0.00 O ATOM 70 CB ARG A 8 -9.334 -14.738 -0.858 1.00 0.00 C ATOM 71 CG ARG A 8 -8.458 -13.972 -1.850 1.00 0.00 C ATOM 72 CD ARG A 8 -7.777 -14.927 -2.833 1.00 0.00 C ATOM 73 NE ARG A 8 -8.373 -14.777 -4.179 1.00 0.00 N ATOM 74 CZ ARG A 8 -8.333 -15.723 -5.127 1.00 0.00 C ATOM 75 NH1 ARG A 8 -7.726 -16.893 -4.882 1.00 0.00 N ATOM 76 NH2 ARG A 8 -8.900 -15.500 -6.321 1.00 0.00 N ATOM 0 HA ARG A 8 -7.684 -15.841 -0.042 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.803 -15.585 -1.360 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.138 -14.093 -0.504 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.067 -13.253 -2.399 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.703 -13.402 -1.309 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.708 -14.718 -2.874 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.888 -15.956 -2.490 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.843 -13.899 -4.399 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.294 -17.063 -3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.696 -17.613 -5.604 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.362 -14.610 -6.508 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.869 -16.220 -7.043 1.00 0.00 H new ATOM 90 N PRO A 9 -6.644 -13.765 0.884 1.00 0.00 N ATOM 91 CA PRO A 9 -5.988 -12.652 1.548 1.00 0.00 C ATOM 92 C PRO A 9 -6.397 -11.319 0.917 1.00 0.00 C ATOM 93 O PRO A 9 -7.085 -11.296 -0.102 1.00 0.00 O ATOM 94 CB PRO A 9 -4.500 -12.938 1.419 1.00 0.00 C ATOM 95 CG PRO A 9 -4.367 -13.950 0.293 1.00 0.00 C ATOM 96 CD PRO A 9 -5.749 -14.514 0.006 1.00 0.00 C ATOM 0 HA PRO A 9 -6.273 -12.560 2.596 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.945 -12.027 1.193 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.096 -13.335 2.351 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.955 -13.477 -0.599 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.681 -14.748 0.576 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.021 -14.383 -1.041 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.792 -15.583 0.215 1.00 0.00 H new ATOM 104 N HIS A 10 -5.955 -10.242 1.550 1.00 0.00 N ATOM 105 CA HIS A 10 -6.267 -8.909 1.063 1.00 0.00 C ATOM 106 C HIS A 10 -5.034 -8.308 0.387 1.00 0.00 C ATOM 107 O HIS A 10 -4.068 -7.946 1.057 1.00 0.00 O ATOM 108 CB HIS A 10 -6.810 -8.031 2.193 1.00 0.00 C ATOM 109 CG HIS A 10 -8.179 -8.439 2.684 1.00 0.00 C ATOM 110 ND1 HIS A 10 -9.343 -8.125 2.005 1.00 0.00 N ATOM 111 CD2 HIS A 10 -8.556 -9.140 3.792 1.00 0.00 C ATOM 112 CE1 HIS A 10 -10.369 -8.618 2.683 1.00 0.00 C ATOM 113 NE2 HIS A 10 -9.879 -9.246 3.791 1.00 0.00 N ATOM 0 H HIS A 10 -5.384 -10.265 2.395 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.057 -8.967 0.314 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.112 -8.060 3.029 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.852 -6.998 1.848 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.891 -9.541 4.543 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.410 -8.537 2.407 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -10.438 -9.719 4.501 1.00 0.00 H new ATOM 121 N VAL A 11 -5.106 -8.220 -0.934 1.00 0.00 N ATOM 122 CA VAL A 11 -4.007 -7.669 -1.708 1.00 0.00 C ATOM 123 C VAL A 11 -4.197 -6.158 -1.852 1.00 0.00 C ATOM 124 O VAL A 11 -4.943 -5.702 -2.717 1.00 0.00 O ATOM 125 CB VAL A 11 -3.904 -8.389 -3.055 1.00 0.00 C ATOM 126 CG1 VAL A 11 -2.879 -7.707 -3.964 1.00 0.00 C ATOM 127 CG2 VAL A 11 -3.566 -9.868 -2.861 1.00 0.00 C ATOM 0 H VAL A 11 -5.908 -8.521 -1.487 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.059 -7.830 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.877 -8.329 -3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.825 -8.238 -4.914 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.180 -6.675 -4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.900 -7.722 -3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.499 -10.356 -3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.611 -9.958 -2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.347 -10.345 -2.269 1.00 0.00 H new ATOM 137 N VAL A 12 -3.510 -5.423 -0.990 1.00 0.00 N ATOM 138 CA VAL A 12 -3.593 -3.972 -1.010 1.00 0.00 C ATOM 139 C VAL A 12 -2.571 -3.420 -2.006 1.00 0.00 C ATOM 140 O VAL A 12 -1.381 -3.717 -1.908 1.00 0.00 O ATOM 141 CB VAL A 12 -3.409 -3.418 0.404 1.00 0.00 C ATOM 142 CG1 VAL A 12 -3.604 -1.901 0.428 1.00 0.00 C ATOM 143 CG2 VAL A 12 -4.354 -4.108 1.390 1.00 0.00 C ATOM 0 H VAL A 12 -2.893 -5.805 -0.273 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.579 -3.651 -1.345 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.386 -3.629 0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.468 -1.533 1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.873 -1.430 -0.230 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.610 -1.658 0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.203 -3.696 2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.386 -3.942 1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.147 -5.178 1.404 1.00 0.00 H new ATOM 153 N LYS A 13 -3.073 -2.628 -2.942 1.00 0.00 N ATOM 154 CA LYS A 13 -2.218 -2.032 -3.954 1.00 0.00 C ATOM 155 C LYS A 13 -1.718 -0.673 -3.459 1.00 0.00 C ATOM 156 O LYS A 13 -2.506 0.252 -3.273 1.00 0.00 O ATOM 157 CB LYS A 13 -2.946 -1.966 -5.299 1.00 0.00 C ATOM 158 CG LYS A 13 -2.892 -3.315 -6.018 1.00 0.00 C ATOM 159 CD LYS A 13 -4.181 -3.569 -6.803 1.00 0.00 C ATOM 160 CE LYS A 13 -3.876 -3.885 -8.269 1.00 0.00 C ATOM 161 NZ LYS A 13 -4.644 -5.070 -8.714 1.00 0.00 N ATOM 0 H LYS A 13 -4.061 -2.385 -3.021 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.338 -2.653 -4.123 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.985 -1.676 -5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.492 -1.198 -5.925 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.039 -3.336 -6.696 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.741 -4.113 -5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.727 -4.399 -6.354 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.827 -2.693 -6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.127 -3.027 -8.892 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.809 -4.068 -8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.426 -5.271 -9.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.385 -5.891 -8.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.662 -4.882 -8.614 1.00 0.00 H new ATOM 175 N VAL A 14 -0.410 -0.598 -3.258 1.00 0.00 N ATOM 176 CA VAL A 14 0.205 0.632 -2.787 1.00 0.00 C ATOM 177 C VAL A 14 1.095 1.206 -3.890 1.00 0.00 C ATOM 178 O VAL A 14 2.181 0.689 -4.149 1.00 0.00 O ATOM 179 CB VAL A 14 0.961 0.373 -1.482 1.00 0.00 C ATOM 180 CG1 VAL A 14 1.895 1.538 -1.150 1.00 0.00 C ATOM 181 CG2 VAL A 14 -0.010 0.102 -0.331 1.00 0.00 C ATOM 0 H VAL A 14 0.240 -1.368 -3.413 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.557 1.379 -2.562 1.00 0.00 H new ATOM 0 HB VAL A 14 1.573 -0.518 -1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.420 1.329 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.619 1.664 -1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.312 2.452 -1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.553 -0.079 0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.660 0.966 -0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.615 -0.774 -0.564 1.00 0.00 H new ATOM 191 N TYR A 15 0.604 2.269 -4.511 1.00 0.00 N ATOM 192 CA TYR A 15 1.342 2.919 -5.580 1.00 0.00 C ATOM 193 C TYR A 15 2.356 3.917 -5.018 1.00 0.00 C ATOM 194 O TYR A 15 2.226 4.366 -3.880 1.00 0.00 O ATOM 195 CB TYR A 15 0.303 3.678 -6.409 1.00 0.00 C ATOM 196 CG TYR A 15 -0.575 2.778 -7.281 1.00 0.00 C ATOM 197 CD1 TYR A 15 -1.755 2.269 -6.778 1.00 0.00 C ATOM 198 CD2 TYR A 15 -0.187 2.475 -8.570 1.00 0.00 C ATOM 199 CE1 TYR A 15 -2.582 1.422 -7.599 1.00 0.00 C ATOM 200 CE2 TYR A 15 -1.014 1.629 -9.391 1.00 0.00 C ATOM 201 CZ TYR A 15 -2.170 1.144 -8.864 1.00 0.00 C ATOM 202 OH TYR A 15 -2.951 0.344 -9.640 1.00 0.00 O ATOM 0 H TYR A 15 -0.296 2.696 -4.294 1.00 0.00 H new ATOM 0 HA TYR A 15 1.891 2.184 -6.169 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.336 4.250 -5.736 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.817 4.396 -7.048 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.058 2.506 -5.769 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.737 2.872 -8.963 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.508 1.017 -7.218 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.723 1.385 -10.402 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.533 0.232 -10.519 1.00 0.00 H new ATOM 212 N SER A 16 3.343 4.237 -5.842 1.00 0.00 N ATOM 213 CA SER A 16 4.379 5.173 -5.441 1.00 0.00 C ATOM 214 C SER A 16 4.334 6.416 -6.333 1.00 0.00 C ATOM 215 O SER A 16 3.886 6.348 -7.477 1.00 0.00 O ATOM 216 CB SER A 16 5.763 4.525 -5.505 1.00 0.00 C ATOM 217 OG SER A 16 6.419 4.541 -4.241 1.00 0.00 O ATOM 0 H SER A 16 3.447 3.864 -6.786 1.00 0.00 H new ATOM 0 HA SER A 16 4.193 5.467 -4.408 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.666 3.496 -5.850 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.376 5.050 -6.238 1.00 0.00 H new ATOM 0 HG SER A 16 7.299 4.117 -4.324 1.00 0.00 H new ATOM 223 N GLU A 17 4.803 7.523 -5.775 1.00 0.00 N ATOM 224 CA GLU A 17 4.821 8.779 -6.505 1.00 0.00 C ATOM 225 C GLU A 17 5.239 8.542 -7.958 1.00 0.00 C ATOM 226 O GLU A 17 4.583 9.021 -8.882 1.00 0.00 O ATOM 227 CB GLU A 17 5.745 9.793 -5.827 1.00 0.00 C ATOM 228 CG GLU A 17 4.940 10.808 -5.013 1.00 0.00 C ATOM 229 CD GLU A 17 5.511 12.218 -5.176 1.00 0.00 C ATOM 230 OE1 GLU A 17 6.756 12.329 -5.187 1.00 0.00 O ATOM 231 OE2 GLU A 17 4.689 13.154 -5.286 1.00 0.00 O ATOM 0 H GLU A 17 5.173 7.576 -4.826 1.00 0.00 H new ATOM 0 HA GLU A 17 3.813 9.195 -6.500 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.446 9.272 -5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.336 10.313 -6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.899 10.794 -5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.952 10.526 -3.960 1.00 0.00 H new ATOM 238 N ASP A 18 6.328 7.804 -8.114 1.00 0.00 N ATOM 239 CA ASP A 18 6.841 7.499 -9.439 1.00 0.00 C ATOM 240 C ASP A 18 5.703 6.966 -10.311 1.00 0.00 C ATOM 241 O ASP A 18 5.549 7.380 -11.459 1.00 0.00 O ATOM 242 CB ASP A 18 7.929 6.425 -9.374 1.00 0.00 C ATOM 243 CG ASP A 18 8.652 6.155 -10.695 1.00 0.00 C ATOM 244 OD1 ASP A 18 8.937 7.149 -11.399 1.00 0.00 O ATOM 245 OD2 ASP A 18 8.902 4.963 -10.972 1.00 0.00 O ATOM 0 H ASP A 18 6.869 7.408 -7.345 1.00 0.00 H new ATOM 0 HA ASP A 18 7.261 8.414 -9.857 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.666 6.721 -8.628 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.480 5.495 -9.027 1.00 0.00 H new ATOM 250 N GLY A 19 4.934 6.055 -9.734 1.00 0.00 N ATOM 251 CA GLY A 19 3.814 5.461 -10.444 1.00 0.00 C ATOM 252 C GLY A 19 3.786 3.943 -10.253 1.00 0.00 C ATOM 253 O GLY A 19 2.715 3.342 -10.184 1.00 0.00 O ATOM 0 H GLY A 19 5.064 5.713 -8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.880 5.894 -10.084 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.886 5.696 -11.506 1.00 0.00 H new ATOM 257 N ALA A 20 4.977 3.367 -10.173 1.00 0.00 N ATOM 258 CA ALA A 20 5.102 1.931 -9.991 1.00 0.00 C ATOM 259 C ALA A 20 4.091 1.463 -8.943 1.00 0.00 C ATOM 260 O ALA A 20 3.967 2.071 -7.881 1.00 0.00 O ATOM 261 CB ALA A 20 6.543 1.589 -9.605 1.00 0.00 C ATOM 0 H ALA A 20 5.863 3.869 -10.231 1.00 0.00 H new ATOM 0 HA ALA A 20 4.880 1.406 -10.920 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.637 0.512 -9.468 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.219 1.915 -10.396 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.801 2.097 -8.675 1.00 0.00 H new ATOM 267 N CYS A 21 3.395 0.387 -9.277 1.00 0.00 N ATOM 268 CA CYS A 21 2.398 -0.169 -8.378 1.00 0.00 C ATOM 269 C CYS A 21 3.061 -1.272 -7.550 1.00 0.00 C ATOM 270 O CYS A 21 3.731 -2.146 -8.096 1.00 0.00 O ATOM 271 CB CYS A 21 1.174 -0.684 -9.138 1.00 0.00 C ATOM 272 SG CYS A 21 1.642 -2.110 -10.186 1.00 0.00 S ATOM 0 H CYS A 21 3.502 -0.115 -10.158 1.00 0.00 H new ATOM 0 HA CYS A 21 2.028 0.612 -7.713 1.00 0.00 H new ATOM 0 HB2 CYS A 21 0.396 -0.979 -8.434 1.00 0.00 H new ATOM 0 HB3 CYS A 21 0.758 0.112 -9.757 1.00 0.00 H new ATOM 0 HG CYS A 21 2.734 -2.646 -9.727 1.00 0.00 H new ATOM 278 N ARG A 22 2.850 -1.194 -6.244 1.00 0.00 N ATOM 279 CA ARG A 22 3.418 -2.175 -5.335 1.00 0.00 C ATOM 280 C ARG A 22 2.363 -2.641 -4.329 1.00 0.00 C ATOM 281 O ARG A 22 1.927 -1.868 -3.478 1.00 0.00 O ATOM 282 CB ARG A 22 4.614 -1.595 -4.576 1.00 0.00 C ATOM 283 CG ARG A 22 5.924 -1.895 -5.307 1.00 0.00 C ATOM 284 CD ARG A 22 7.042 -0.964 -4.832 1.00 0.00 C ATOM 285 NE ARG A 22 8.212 -1.080 -5.731 1.00 0.00 N ATOM 286 CZ ARG A 22 9.444 -0.654 -5.418 1.00 0.00 C ATOM 287 NH1 ARG A 22 9.673 -0.081 -4.229 1.00 0.00 N ATOM 288 NH2 ARG A 22 10.446 -0.800 -6.296 1.00 0.00 N ATOM 0 H ARG A 22 2.294 -0.467 -5.794 1.00 0.00 H new ATOM 0 HA ARG A 22 3.756 -3.022 -5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.492 -0.517 -4.467 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.650 -2.015 -3.571 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.212 -2.932 -5.135 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.780 -1.778 -6.381 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.686 0.066 -4.815 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.330 -1.218 -3.812 1.00 0.00 H new ATOM 0 HE ARG A 22 8.072 -1.511 -6.645 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.910 0.031 -3.562 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.610 0.243 -3.991 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.271 -1.235 -7.202 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.384 -0.476 -6.058 1.00 0.00 H new ATOM 302 N SER A 23 1.982 -3.903 -4.462 1.00 0.00 N ATOM 303 CA SER A 23 0.986 -4.482 -3.576 1.00 0.00 C ATOM 304 C SER A 23 1.662 -5.407 -2.562 1.00 0.00 C ATOM 305 O SER A 23 2.760 -5.905 -2.807 1.00 0.00 O ATOM 306 CB SER A 23 -0.077 -5.247 -4.367 1.00 0.00 C ATOM 307 OG SER A 23 0.479 -6.347 -5.081 1.00 0.00 O ATOM 0 H SER A 23 2.345 -4.541 -5.170 1.00 0.00 H new ATOM 0 HA SER A 23 0.489 -3.671 -3.043 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.846 -5.609 -3.685 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.565 -4.570 -5.067 1.00 0.00 H new ATOM 0 HG SER A 23 -0.231 -6.811 -5.572 1.00 0.00 H new ATOM 313 N VAL A 24 0.978 -5.609 -1.445 1.00 0.00 N ATOM 314 CA VAL A 24 1.499 -6.465 -0.394 1.00 0.00 C ATOM 315 C VAL A 24 0.396 -7.417 0.076 1.00 0.00 C ATOM 316 O VAL A 24 -0.777 -7.047 0.105 1.00 0.00 O ATOM 317 CB VAL A 24 2.075 -5.612 0.739 1.00 0.00 C ATOM 318 CG1 VAL A 24 3.363 -4.914 0.299 1.00 0.00 C ATOM 319 CG2 VAL A 24 1.045 -4.598 1.239 1.00 0.00 C ATOM 0 H VAL A 24 0.068 -5.194 -1.246 1.00 0.00 H new ATOM 0 HA VAL A 24 2.318 -7.077 -0.771 1.00 0.00 H new ATOM 0 HB VAL A 24 2.321 -6.276 1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.752 -4.315 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.103 -5.662 0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.154 -4.267 -0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.479 -4.005 2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.754 -3.941 0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.166 -5.125 1.611 1.00 0.00 H new ATOM 329 N GLU A 25 0.812 -8.623 0.432 1.00 0.00 N ATOM 330 CA GLU A 25 -0.125 -9.631 0.898 1.00 0.00 C ATOM 331 C GLU A 25 -0.418 -9.434 2.387 1.00 0.00 C ATOM 332 O GLU A 25 0.470 -9.593 3.224 1.00 0.00 O ATOM 333 CB GLU A 25 0.403 -11.040 0.624 1.00 0.00 C ATOM 334 CG GLU A 25 -0.473 -11.765 -0.400 1.00 0.00 C ATOM 335 CD GLU A 25 -0.414 -13.280 -0.198 1.00 0.00 C ATOM 336 OE1 GLU A 25 0.700 -13.829 -0.347 1.00 0.00 O ATOM 337 OE2 GLU A 25 -1.482 -13.855 0.101 1.00 0.00 O ATOM 0 H GLU A 25 1.786 -8.925 0.407 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.058 -9.516 0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.427 -10.983 0.256 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.429 -11.609 1.553 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.504 -11.422 -0.309 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.142 -11.516 -1.408 1.00 0.00 H new ATOM 344 N VAL A 26 -1.666 -9.093 2.672 1.00 0.00 N ATOM 345 CA VAL A 26 -2.086 -8.873 4.046 1.00 0.00 C ATOM 346 C VAL A 26 -3.469 -9.494 4.257 1.00 0.00 C ATOM 347 O VAL A 26 -4.127 -9.892 3.297 1.00 0.00 O ATOM 348 CB VAL A 26 -2.046 -7.379 4.373 1.00 0.00 C ATOM 349 CG1 VAL A 26 -0.627 -6.825 4.230 1.00 0.00 C ATOM 350 CG2 VAL A 26 -3.030 -6.599 3.498 1.00 0.00 C ATOM 0 H VAL A 26 -2.400 -8.964 1.975 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.400 -9.362 4.738 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.351 -7.255 5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.626 -5.761 4.468 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.039 -7.350 4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.282 -6.968 3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.981 -5.540 3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.769 -6.734 2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.041 -6.967 3.671 1.00 0.00 H new ATOM 360 N ALA A 27 -3.868 -9.557 5.518 1.00 0.00 N ATOM 361 CA ALA A 27 -5.160 -10.122 5.867 1.00 0.00 C ATOM 362 C ALA A 27 -5.855 -9.209 6.879 1.00 0.00 C ATOM 363 O ALA A 27 -5.205 -8.400 7.539 1.00 0.00 O ATOM 364 CB ALA A 27 -4.968 -11.544 6.401 1.00 0.00 C ATOM 0 H ALA A 27 -3.319 -9.226 6.311 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.800 -10.187 4.987 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.937 -11.968 6.663 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.497 -12.160 5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.332 -11.518 7.286 1.00 0.00 H new ATOM 370 N ALA A 28 -7.167 -9.369 6.968 1.00 0.00 N ATOM 371 CA ALA A 28 -7.958 -8.568 7.888 1.00 0.00 C ATOM 372 C ALA A 28 -7.235 -8.483 9.233 1.00 0.00 C ATOM 373 O ALA A 28 -7.345 -9.387 10.060 1.00 0.00 O ATOM 374 CB ALA A 28 -9.358 -9.171 8.015 1.00 0.00 C ATOM 0 H ALA A 28 -7.703 -10.041 6.419 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.074 -7.552 7.511 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.951 -8.571 8.705 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.839 -9.182 7.037 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.282 -10.190 8.394 1.00 0.00 H new ATOM 380 N GLY A 29 -6.512 -7.387 9.412 1.00 0.00 N ATOM 381 CA GLY A 29 -5.772 -7.172 10.643 1.00 0.00 C ATOM 382 C GLY A 29 -4.639 -6.165 10.433 1.00 0.00 C ATOM 383 O GLY A 29 -4.500 -5.211 11.197 1.00 0.00 O ATOM 0 H GLY A 29 -6.423 -6.639 8.725 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.447 -6.809 11.418 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.362 -8.118 10.995 1.00 0.00 H new ATOM 387 N ALA A 30 -3.857 -6.412 9.392 1.00 0.00 N ATOM 388 CA ALA A 30 -2.740 -5.539 9.071 1.00 0.00 C ATOM 389 C ALA A 30 -3.222 -4.087 9.054 1.00 0.00 C ATOM 390 O ALA A 30 -4.360 -3.812 8.678 1.00 0.00 O ATOM 391 CB ALA A 30 -2.126 -5.965 7.736 1.00 0.00 C ATOM 0 H ALA A 30 -3.975 -7.204 8.760 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.960 -5.619 9.829 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.288 -5.310 7.495 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.773 -6.994 7.810 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.879 -5.895 6.951 1.00 0.00 H new ATOM 397 N THR A 31 -2.331 -3.197 9.465 1.00 0.00 N ATOM 398 CA THR A 31 -2.652 -1.780 9.502 1.00 0.00 C ATOM 399 C THR A 31 -1.768 -1.008 8.520 1.00 0.00 C ATOM 400 O THR A 31 -0.920 -1.594 7.849 1.00 0.00 O ATOM 401 CB THR A 31 -2.514 -1.301 10.949 1.00 0.00 C ATOM 402 OG1 THR A 31 -1.106 -1.255 11.167 1.00 0.00 O ATOM 403 CG2 THR A 31 -3.013 -2.337 11.958 1.00 0.00 C ATOM 0 H THR A 31 -1.387 -3.429 9.775 1.00 0.00 H new ATOM 0 HA THR A 31 -3.678 -1.598 9.181 1.00 0.00 H new ATOM 0 HB THR A 31 -3.068 -0.371 11.078 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.927 -1.014 12.100 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.893 -1.948 12.969 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.066 -2.547 11.773 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.436 -3.256 11.852 1.00 0.00 H new ATOM 411 N ALA A 32 -1.997 0.296 8.467 1.00 0.00 N ATOM 412 CA ALA A 32 -1.232 1.154 7.578 1.00 0.00 C ATOM 413 C ALA A 32 0.241 1.125 7.990 1.00 0.00 C ATOM 414 O ALA A 32 1.107 1.575 7.242 1.00 0.00 O ATOM 415 CB ALA A 32 -1.817 2.568 7.605 1.00 0.00 C ATOM 0 H ALA A 32 -2.701 0.779 9.025 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.294 0.795 6.551 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.243 3.212 6.938 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.856 2.538 7.276 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.769 2.962 8.620 1.00 0.00 H new ATOM 421 N ARG A 33 0.479 0.591 9.179 1.00 0.00 N ATOM 422 CA ARG A 33 1.832 0.497 9.700 1.00 0.00 C ATOM 423 C ARG A 33 2.531 -0.743 9.140 1.00 0.00 C ATOM 424 O ARG A 33 3.700 -0.684 8.762 1.00 0.00 O ATOM 425 CB ARG A 33 1.831 0.428 11.228 1.00 0.00 C ATOM 426 CG ARG A 33 3.110 -0.232 11.748 1.00 0.00 C ATOM 427 CD ARG A 33 4.348 0.557 11.318 1.00 0.00 C ATOM 428 NE ARG A 33 5.279 0.698 12.460 1.00 0.00 N ATOM 429 CZ ARG A 33 5.068 1.508 13.506 1.00 0.00 C ATOM 430 NH1 ARG A 33 3.956 2.254 13.562 1.00 0.00 N ATOM 431 NH2 ARG A 33 5.968 1.572 14.497 1.00 0.00 N ATOM 0 H ARG A 33 -0.243 0.219 9.796 1.00 0.00 H new ATOM 0 HA ARG A 33 2.370 1.393 9.389 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.742 1.433 11.641 1.00 0.00 H new ATOM 0 HB3 ARG A 33 0.962 -0.135 11.570 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.074 -0.295 12.836 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.176 -1.253 11.371 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.846 0.048 10.493 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.054 1.541 10.954 1.00 0.00 H new ATOM 0 HE ARG A 33 6.135 0.144 12.450 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.270 2.205 12.808 1.00 0.00 H new ATOM 0 HH12 ARG A 33 3.795 2.871 14.358 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.814 1.004 14.455 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.807 2.189 15.293 1.00 0.00 H new ATOM 445 N HIS A 34 1.786 -1.838 9.105 1.00 0.00 N ATOM 446 CA HIS A 34 2.320 -3.091 8.598 1.00 0.00 C ATOM 447 C HIS A 34 2.867 -2.880 7.185 1.00 0.00 C ATOM 448 O HIS A 34 4.050 -3.104 6.933 1.00 0.00 O ATOM 449 CB HIS A 34 1.266 -4.198 8.667 1.00 0.00 C ATOM 450 CG HIS A 34 1.256 -4.955 9.973 1.00 0.00 C ATOM 451 ND1 HIS A 34 1.034 -4.341 11.194 1.00 0.00 N ATOM 452 CD2 HIS A 34 1.440 -6.280 10.237 1.00 0.00 C ATOM 453 CE1 HIS A 34 1.086 -5.264 12.142 1.00 0.00 C ATOM 454 NE2 HIS A 34 1.339 -6.465 11.547 1.00 0.00 N ATOM 0 H HIS A 34 0.817 -1.884 9.419 1.00 0.00 H new ATOM 0 HA HIS A 34 3.148 -3.419 9.226 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.281 -3.759 8.506 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.439 -4.901 7.852 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.635 -7.049 9.504 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.952 -5.095 13.200 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.435 -7.358 12.030 1.00 0.00 H new ATOM 462 N VAL A 35 1.980 -2.453 6.298 1.00 0.00 N ATOM 463 CA VAL A 35 2.359 -2.210 4.917 1.00 0.00 C ATOM 464 C VAL A 35 3.690 -1.456 4.883 1.00 0.00 C ATOM 465 O VAL A 35 4.678 -1.957 4.346 1.00 0.00 O ATOM 466 CB VAL A 35 1.235 -1.471 4.188 1.00 0.00 C ATOM 467 CG1 VAL A 35 1.692 -1.007 2.803 1.00 0.00 C ATOM 468 CG2 VAL A 35 -0.019 -2.342 4.088 1.00 0.00 C ATOM 0 H VAL A 35 0.999 -2.269 6.509 1.00 0.00 H new ATOM 0 HA VAL A 35 2.506 -3.153 4.390 1.00 0.00 H new ATOM 0 HB VAL A 35 0.982 -0.586 4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.874 -0.485 2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.543 -0.334 2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.985 -1.872 2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.803 -1.793 3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.214 -3.254 3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.363 -2.601 5.089 1.00 0.00 H new ATOM 478 N CYS A 36 3.674 -0.265 5.463 1.00 0.00 N ATOM 479 CA CYS A 36 4.868 0.563 5.506 1.00 0.00 C ATOM 480 C CYS A 36 6.059 -0.330 5.861 1.00 0.00 C ATOM 481 O CYS A 36 6.990 -0.472 5.070 1.00 0.00 O ATOM 482 CB CYS A 36 4.714 1.727 6.487 1.00 0.00 C ATOM 483 SG CYS A 36 6.186 2.811 6.407 1.00 0.00 S ATOM 0 H CYS A 36 2.853 0.147 5.907 1.00 0.00 H new ATOM 0 HA CYS A 36 5.034 1.017 4.529 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.817 2.299 6.248 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.588 1.345 7.500 1.00 0.00 H new ATOM 0 HG CYS A 36 6.317 3.276 5.200 1.00 0.00 H new ATOM 489 N GLU A 37 5.990 -0.908 7.051 1.00 0.00 N ATOM 490 CA GLU A 37 7.051 -1.782 7.521 1.00 0.00 C ATOM 491 C GLU A 37 7.358 -2.854 6.473 1.00 0.00 C ATOM 492 O GLU A 37 8.518 -3.198 6.253 1.00 0.00 O ATOM 493 CB GLU A 37 6.684 -2.417 8.864 1.00 0.00 C ATOM 494 CG GLU A 37 6.913 -1.435 10.015 1.00 0.00 C ATOM 495 CD GLU A 37 8.231 -1.731 10.734 1.00 0.00 C ATOM 496 OE1 GLU A 37 9.245 -1.884 10.020 1.00 0.00 O ATOM 497 OE2 GLU A 37 8.194 -1.798 11.982 1.00 0.00 O ATOM 0 H GLU A 37 5.216 -0.788 7.704 1.00 0.00 H new ATOM 0 HA GLU A 37 7.949 -1.183 7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.640 -2.729 8.850 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.283 -3.314 9.022 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.925 -0.415 9.631 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.086 -1.499 10.722 1.00 0.00 H new ATOM 504 N MET A 38 6.297 -3.353 5.855 1.00 0.00 N ATOM 505 CA MET A 38 6.438 -4.379 4.836 1.00 0.00 C ATOM 506 C MET A 38 7.104 -3.815 3.578 1.00 0.00 C ATOM 507 O MET A 38 7.848 -4.518 2.897 1.00 0.00 O ATOM 508 CB MET A 38 5.059 -4.936 4.477 1.00 0.00 C ATOM 509 CG MET A 38 4.470 -5.731 5.644 1.00 0.00 C ATOM 510 SD MET A 38 2.703 -5.891 5.443 1.00 0.00 S ATOM 511 CE MET A 38 2.649 -6.975 4.026 1.00 0.00 C ATOM 0 H MET A 38 5.336 -3.066 6.041 1.00 0.00 H new ATOM 0 HA MET A 38 7.069 -5.174 5.233 1.00 0.00 H new ATOM 0 HB2 MET A 38 4.389 -4.117 4.215 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.139 -5.577 3.599 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.930 -6.718 5.691 1.00 0.00 H new ATOM 0 HG3 MET A 38 4.693 -5.230 6.586 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.923 -6.597 3.306 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.634 -7.015 3.561 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.358 -7.976 4.344 1.00 0.00 H new ATOM 521 N LEU A 39 6.811 -2.551 3.309 1.00 0.00 N ATOM 522 CA LEU A 39 7.371 -1.885 2.146 1.00 0.00 C ATOM 523 C LEU A 39 8.801 -1.439 2.458 1.00 0.00 C ATOM 524 O LEU A 39 9.745 -1.856 1.790 1.00 0.00 O ATOM 525 CB LEU A 39 6.458 -0.745 1.689 1.00 0.00 C ATOM 526 CG LEU A 39 5.028 -1.141 1.313 1.00 0.00 C ATOM 527 CD1 LEU A 39 4.190 0.092 0.970 1.00 0.00 C ATOM 528 CD2 LEU A 39 5.024 -2.170 0.180 1.00 0.00 C ATOM 0 H LEU A 39 6.193 -1.971 3.877 1.00 0.00 H new ATOM 0 HA LEU A 39 7.428 -2.574 1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.411 -0.002 2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.918 -0.260 0.828 1.00 0.00 H new ATOM 0 HG LEU A 39 4.565 -1.614 2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.179 -0.217 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.153 0.758 1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.641 0.615 0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.996 -2.434 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.511 -1.746 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.562 -3.063 0.498 1.00 0.00 H new ATOM 540 N VAL A 40 8.915 -0.596 3.475 1.00 0.00 N ATOM 541 CA VAL A 40 10.214 -0.089 3.884 1.00 0.00 C ATOM 542 C VAL A 40 11.244 -1.218 3.809 1.00 0.00 C ATOM 543 O VAL A 40 12.280 -1.076 3.160 1.00 0.00 O ATOM 544 CB VAL A 40 10.116 0.539 5.276 1.00 0.00 C ATOM 545 CG1 VAL A 40 9.126 1.706 5.282 1.00 0.00 C ATOM 546 CG2 VAL A 40 9.735 -0.509 6.324 1.00 0.00 C ATOM 0 H VAL A 40 8.129 -0.252 4.027 1.00 0.00 H new ATOM 0 HA VAL A 40 10.546 0.700 3.209 1.00 0.00 H new ATOM 0 HB VAL A 40 11.099 0.932 5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.075 2.135 6.283 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.458 2.468 4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.139 1.347 4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.672 -0.037 7.304 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.769 -0.945 6.068 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.492 -1.293 6.347 1.00 0.00 H new ATOM 705 N TRP A 51 7.199 7.256 8.014 1.00 0.00 N ATOM 706 CA TRP A 51 6.526 6.791 6.813 1.00 0.00 C ATOM 707 C TRP A 51 5.110 6.359 7.202 1.00 0.00 C ATOM 708 O TRP A 51 4.799 6.234 8.385 1.00 0.00 O ATOM 709 CB TRP A 51 7.324 5.677 6.133 1.00 0.00 C ATOM 710 CG TRP A 51 8.588 6.163 5.421 1.00 0.00 C ATOM 711 CD1 TRP A 51 9.682 6.714 5.966 1.00 0.00 C ATOM 712 CD2 TRP A 51 8.846 6.119 4.002 1.00 0.00 C ATOM 713 NE1 TRP A 51 10.622 7.027 5.005 1.00 0.00 N ATOM 714 CE2 TRP A 51 10.098 6.654 3.773 1.00 0.00 C ATOM 715 CE3 TRP A 51 8.049 5.643 2.946 1.00 0.00 C ATOM 716 CZ2 TRP A 51 10.663 6.763 2.497 1.00 0.00 C ATOM 717 CZ3 TRP A 51 8.628 5.759 1.677 1.00 0.00 C ATOM 718 CH2 TRP A 51 9.887 6.295 1.430 1.00 0.00 C ATOM 0 HA TRP A 51 6.457 7.591 6.076 1.00 0.00 H new ATOM 0 HB2 TRP A 51 7.603 4.935 6.881 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.682 5.174 5.410 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.811 6.891 7.024 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.534 7.454 5.169 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.067 5.221 3.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.645 7.186 2.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 8.057 5.408 0.830 1.00 0.00 H new ATOM 0 HH2 TRP A 51 10.264 6.350 0.420 1.00 0.00 H new ATOM 729 N GLY A 52 4.291 6.144 6.183 1.00 0.00 N ATOM 730 CA GLY A 52 2.915 5.730 6.404 1.00 0.00 C ATOM 731 C GLY A 52 2.220 5.410 5.079 1.00 0.00 C ATOM 732 O GLY A 52 2.860 4.953 4.133 1.00 0.00 O ATOM 0 H GLY A 52 4.553 6.248 5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.895 4.853 7.051 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.372 6.521 6.922 1.00 0.00 H new ATOM 736 N LEU A 53 0.920 5.662 5.054 1.00 0.00 N ATOM 737 CA LEU A 53 0.131 5.406 3.861 1.00 0.00 C ATOM 738 C LEU A 53 -0.709 6.643 3.536 1.00 0.00 C ATOM 739 O LEU A 53 -1.096 7.389 4.434 1.00 0.00 O ATOM 740 CB LEU A 53 -0.695 4.129 4.028 1.00 0.00 C ATOM 741 CG LEU A 53 -0.141 2.878 3.343 1.00 0.00 C ATOM 742 CD1 LEU A 53 -1.153 1.732 3.392 1.00 0.00 C ATOM 743 CD2 LEU A 53 0.305 3.188 1.913 1.00 0.00 C ATOM 0 H LEU A 53 0.393 6.041 5.841 1.00 0.00 H new ATOM 0 HA LEU A 53 0.782 5.227 3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.795 3.922 5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.698 4.316 3.644 1.00 0.00 H new ATOM 0 HG LEU A 53 0.742 2.551 3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.734 0.855 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.379 1.490 4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.068 2.033 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.695 2.282 1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.546 3.553 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.084 3.950 1.932 1.00 0.00 H new ATOM 755 N VAL A 54 -0.967 6.822 2.249 1.00 0.00 N ATOM 756 CA VAL A 54 -1.754 7.955 1.794 1.00 0.00 C ATOM 757 C VAL A 54 -2.735 7.490 0.715 1.00 0.00 C ATOM 758 O VAL A 54 -2.322 7.066 -0.363 1.00 0.00 O ATOM 759 CB VAL A 54 -0.830 9.077 1.317 1.00 0.00 C ATOM 760 CG1 VAL A 54 -1.625 10.188 0.628 1.00 0.00 C ATOM 761 CG2 VAL A 54 0.000 9.634 2.476 1.00 0.00 C ATOM 0 H VAL A 54 -0.645 6.201 1.507 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.343 8.364 2.615 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.142 8.655 0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.944 10.973 0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.150 9.778 -0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.348 10.606 1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.648 10.430 2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.666 10.032 3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.609 8.837 2.903 1.00 0.00 H new ATOM 771 N GLU A 55 -4.015 7.584 1.044 1.00 0.00 N ATOM 772 CA GLU A 55 -5.058 7.178 0.117 1.00 0.00 C ATOM 773 C GLU A 55 -5.201 8.208 -1.005 1.00 0.00 C ATOM 774 O GLU A 55 -5.229 9.411 -0.748 1.00 0.00 O ATOM 775 CB GLU A 55 -6.388 6.970 0.845 1.00 0.00 C ATOM 776 CG GLU A 55 -6.996 8.309 1.268 1.00 0.00 C ATOM 777 CD GLU A 55 -7.648 8.203 2.647 1.00 0.00 C ATOM 778 OE1 GLU A 55 -6.916 7.849 3.596 1.00 0.00 O ATOM 779 OE2 GLU A 55 -8.865 8.480 2.722 1.00 0.00 O ATOM 0 H GLU A 55 -4.354 7.935 1.940 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.772 6.224 -0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.084 6.440 0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.232 6.344 1.723 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.221 9.075 1.286 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.738 8.624 0.534 1.00 0.00 H new ATOM 786 N CYS A 56 -5.289 7.699 -2.225 1.00 0.00 N ATOM 787 CA CYS A 56 -5.429 8.560 -3.387 1.00 0.00 C ATOM 788 C CYS A 56 -6.794 8.290 -4.023 1.00 0.00 C ATOM 789 O CYS A 56 -7.258 7.151 -4.046 1.00 0.00 O ATOM 790 CB CYS A 56 -4.285 8.356 -4.383 1.00 0.00 C ATOM 791 SG CYS A 56 -2.969 9.591 -4.085 1.00 0.00 S ATOM 0 H CYS A 56 -5.266 6.701 -2.434 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.373 9.604 -3.078 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.880 7.349 -4.283 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.659 8.449 -5.403 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.095 9.534 -5.045 1.00 0.00 H new ATOM 797 N HIS A 57 -7.399 9.357 -4.523 1.00 0.00 N ATOM 798 CA HIS A 57 -8.702 9.250 -5.158 1.00 0.00 C ATOM 799 C HIS A 57 -8.576 9.574 -6.647 1.00 0.00 C ATOM 800 O HIS A 57 -8.651 10.737 -7.042 1.00 0.00 O ATOM 801 CB HIS A 57 -9.728 10.132 -4.444 1.00 0.00 C ATOM 802 CG HIS A 57 -10.058 9.679 -3.042 1.00 0.00 C ATOM 803 ND1 HIS A 57 -10.281 8.352 -2.716 1.00 0.00 N ATOM 804 CD2 HIS A 57 -10.201 10.389 -1.886 1.00 0.00 C ATOM 805 CE1 HIS A 57 -10.545 8.279 -1.419 1.00 0.00 C ATOM 806 NE2 HIS A 57 -10.495 9.542 -0.907 1.00 0.00 N ATOM 0 H HIS A 57 -7.011 10.300 -4.501 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.068 8.227 -5.075 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.349 11.153 -4.405 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.645 10.154 -5.033 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.093 11.459 -1.784 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.762 7.378 -0.865 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -10.657 9.794 0.068 1.00 0.00 H new ATOM 814 N PRO A 58 -8.380 8.498 -7.455 1.00 0.00 N ATOM 815 CA PRO A 58 -8.243 8.656 -8.893 1.00 0.00 C ATOM 816 C PRO A 58 -9.597 8.944 -9.545 1.00 0.00 C ATOM 817 O PRO A 58 -10.011 8.235 -10.461 1.00 0.00 O ATOM 818 CB PRO A 58 -7.616 7.358 -9.374 1.00 0.00 C ATOM 819 CG PRO A 58 -7.853 6.345 -8.265 1.00 0.00 C ATOM 820 CD PRO A 58 -8.286 7.106 -7.023 1.00 0.00 C ATOM 0 HA PRO A 58 -7.620 9.508 -9.165 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.070 7.028 -10.308 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.551 7.486 -9.565 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.619 5.628 -8.560 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.944 5.776 -8.067 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.243 6.742 -6.649 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.563 6.990 -6.215 1.00 0.00 H new ATOM 828 N HIS A 59 -10.248 9.984 -9.047 1.00 0.00 N ATOM 829 CA HIS A 59 -11.547 10.374 -9.570 1.00 0.00 C ATOM 830 C HIS A 59 -11.898 11.779 -9.077 1.00 0.00 C ATOM 831 O HIS A 59 -12.400 12.602 -9.842 1.00 0.00 O ATOM 832 CB HIS A 59 -12.612 9.336 -9.209 1.00 0.00 C ATOM 833 CG HIS A 59 -12.621 8.948 -7.749 1.00 0.00 C ATOM 834 ND1 HIS A 59 -11.487 8.522 -7.080 1.00 0.00 N ATOM 835 CD2 HIS A 59 -13.636 8.926 -6.839 1.00 0.00 C ATOM 836 CE1 HIS A 59 -11.817 8.258 -5.824 1.00 0.00 C ATOM 837 NE2 HIS A 59 -13.150 8.508 -5.677 1.00 0.00 N ATOM 0 H HIS A 59 -9.901 10.569 -8.287 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.509 10.407 -10.659 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.593 9.729 -9.476 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.452 8.442 -9.811 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.662 9.202 -7.031 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.148 7.907 -5.052 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.685 8.393 -4.816 1.00 0.00 H new ATOM 845 N LEU A 60 -11.619 12.011 -7.803 1.00 0.00 N ATOM 846 CA LEU A 60 -11.899 13.303 -7.199 1.00 0.00 C ATOM 847 C LEU A 60 -10.601 14.107 -7.099 1.00 0.00 C ATOM 848 O LEU A 60 -10.612 15.261 -6.676 1.00 0.00 O ATOM 849 CB LEU A 60 -12.616 13.124 -5.859 1.00 0.00 C ATOM 850 CG LEU A 60 -13.384 11.813 -5.679 1.00 0.00 C ATOM 851 CD1 LEU A 60 -14.026 11.740 -4.292 1.00 0.00 C ATOM 852 CD2 LEU A 60 -14.410 11.621 -6.797 1.00 0.00 C ATOM 0 H LEU A 60 -11.202 11.326 -7.172 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.582 13.876 -7.826 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.877 13.202 -5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.314 13.951 -5.729 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.674 10.989 -5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.566 10.799 -4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.250 11.798 -3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.720 12.571 -4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.942 10.682 -6.645 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.121 12.447 -6.784 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.899 11.597 -7.760 1.00 0.00 H new ATOM 864 N ALA A 61 -9.513 13.464 -7.497 1.00 0.00 N ATOM 865 CA ALA A 61 -8.209 14.104 -7.458 1.00 0.00 C ATOM 866 C ALA A 61 -7.940 14.618 -6.042 1.00 0.00 C ATOM 867 O ALA A 61 -7.581 15.780 -5.857 1.00 0.00 O ATOM 868 CB ALA A 61 -8.157 15.220 -8.503 1.00 0.00 C ATOM 0 H ALA A 61 -9.508 12.506 -7.848 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.423 13.390 -7.704 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.179 15.700 -8.474 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.325 14.799 -9.494 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.930 15.957 -8.287 1.00 0.00 H new ATOM 874 N LEU A 62 -8.125 13.727 -5.079 1.00 0.00 N ATOM 875 CA LEU A 62 -7.907 14.076 -3.685 1.00 0.00 C ATOM 876 C LEU A 62 -6.772 13.219 -3.121 1.00 0.00 C ATOM 877 O LEU A 62 -6.439 12.176 -3.682 1.00 0.00 O ATOM 878 CB LEU A 62 -9.212 13.966 -2.895 1.00 0.00 C ATOM 879 CG LEU A 62 -9.652 15.227 -2.148 1.00 0.00 C ATOM 880 CD1 LEU A 62 -10.039 16.337 -3.127 1.00 0.00 C ATOM 881 CD2 LEU A 62 -10.778 14.915 -1.160 1.00 0.00 C ATOM 0 H LEU A 62 -8.423 12.764 -5.236 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.595 15.117 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.007 13.679 -3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.109 13.157 -2.172 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.806 15.592 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.348 17.222 -2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.183 16.584 -3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.863 15.998 -3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.072 15.828 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.635 14.512 -1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.431 14.182 -0.432 1.00 0.00 H new ATOM 893 N GLU A 63 -6.210 13.689 -2.017 1.00 0.00 N ATOM 894 CA GLU A 63 -5.120 12.979 -1.371 1.00 0.00 C ATOM 895 C GLU A 63 -5.238 13.096 0.150 1.00 0.00 C ATOM 896 O GLU A 63 -5.023 14.169 0.712 1.00 0.00 O ATOM 897 CB GLU A 63 -3.764 13.495 -1.857 1.00 0.00 C ATOM 898 CG GLU A 63 -3.533 13.131 -3.325 1.00 0.00 C ATOM 899 CD GLU A 63 -3.664 14.363 -4.223 1.00 0.00 C ATOM 900 OE1 GLU A 63 -2.881 15.312 -4.001 1.00 0.00 O ATOM 901 OE2 GLU A 63 -4.544 14.328 -5.110 1.00 0.00 O ATOM 0 H GLU A 63 -6.490 14.554 -1.553 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.188 11.925 -1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.718 14.577 -1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.969 13.071 -1.244 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.541 12.694 -3.443 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.254 12.374 -3.633 1.00 0.00 H new ATOM 908 N ARG A 64 -5.579 11.978 0.774 1.00 0.00 N ATOM 909 CA ARG A 64 -5.728 11.942 2.218 1.00 0.00 C ATOM 910 C ARG A 64 -4.720 10.969 2.832 1.00 0.00 C ATOM 911 O ARG A 64 -4.438 9.917 2.259 1.00 0.00 O ATOM 912 CB ARG A 64 -7.143 11.518 2.616 1.00 0.00 C ATOM 913 CG ARG A 64 -7.295 11.472 4.138 1.00 0.00 C ATOM 914 CD ARG A 64 -8.719 11.077 4.535 1.00 0.00 C ATOM 915 NE ARG A 64 -8.695 9.832 5.334 1.00 0.00 N ATOM 916 CZ ARG A 64 -9.783 9.259 5.866 1.00 0.00 C ATOM 917 NH1 ARG A 64 -10.988 9.817 5.688 1.00 0.00 N ATOM 918 NH2 ARG A 64 -9.666 8.129 6.576 1.00 0.00 N ATOM 0 H ARG A 64 -5.756 11.090 0.305 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.543 12.948 2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.867 12.216 2.196 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.364 10.537 2.195 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.586 10.758 4.556 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.053 12.447 4.561 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.181 11.879 5.111 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.328 10.934 3.642 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.793 9.381 5.490 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.077 10.678 5.148 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.817 9.381 6.093 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.748 7.705 6.712 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.494 7.693 6.981 1.00 0.00 H new ATOM 932 N GLY A 65 -4.203 11.353 3.990 1.00 0.00 N ATOM 933 CA GLY A 65 -3.232 10.527 4.688 1.00 0.00 C ATOM 934 C GLY A 65 -3.835 9.929 5.960 1.00 0.00 C ATOM 935 O GLY A 65 -4.484 10.632 6.734 1.00 0.00 O ATOM 0 H GLY A 65 -4.438 12.226 4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.891 9.726 4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.357 11.125 4.942 1.00 0.00 H new ATOM 939 N LEU A 66 -3.598 8.638 6.139 1.00 0.00 N ATOM 940 CA LEU A 66 -4.110 7.937 7.304 1.00 0.00 C ATOM 941 C LEU A 66 -2.943 7.560 8.219 1.00 0.00 C ATOM 942 O LEU A 66 -1.809 7.428 7.763 1.00 0.00 O ATOM 943 CB LEU A 66 -4.968 6.745 6.879 1.00 0.00 C ATOM 944 CG LEU A 66 -4.314 5.760 5.907 1.00 0.00 C ATOM 945 CD1 LEU A 66 -4.789 4.330 6.173 1.00 0.00 C ATOM 946 CD2 LEU A 66 -4.553 6.182 4.456 1.00 0.00 C ATOM 0 H LEU A 66 -3.058 8.059 5.496 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.771 8.586 7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.264 6.199 7.774 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.881 7.125 6.421 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.237 5.778 6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.309 3.650 5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.526 4.043 7.191 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.871 4.277 6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.078 5.466 3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.624 6.210 4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.127 7.172 4.290 1.00 0.00 H new ATOM 958 N GLU A 67 -3.262 7.396 9.495 1.00 0.00 N ATOM 959 CA GLU A 67 -2.255 7.036 10.478 1.00 0.00 C ATOM 960 C GLU A 67 -1.662 5.664 10.153 1.00 0.00 C ATOM 961 O GLU A 67 -1.945 5.095 9.100 1.00 0.00 O ATOM 962 CB GLU A 67 -2.836 7.061 11.893 1.00 0.00 C ATOM 963 CG GLU A 67 -2.572 8.407 12.571 1.00 0.00 C ATOM 964 CD GLU A 67 -2.699 8.290 14.091 1.00 0.00 C ATOM 965 OE1 GLU A 67 -2.028 7.395 14.649 1.00 0.00 O ATOM 966 OE2 GLU A 67 -3.464 9.098 14.660 1.00 0.00 O ATOM 0 H GLU A 67 -4.204 7.506 9.870 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.455 7.775 10.436 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.909 6.875 11.853 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.395 6.259 12.485 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.573 8.759 12.312 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.278 9.150 12.200 1.00 0.00 H new ATOM 973 N ASP A 68 -0.850 5.171 11.077 1.00 0.00 N ATOM 974 CA ASP A 68 -0.215 3.876 10.902 1.00 0.00 C ATOM 975 C ASP A 68 -1.132 2.784 11.456 1.00 0.00 C ATOM 976 O ASP A 68 -1.421 1.804 10.771 1.00 0.00 O ATOM 977 CB ASP A 68 1.113 3.807 11.658 1.00 0.00 C ATOM 978 CG ASP A 68 1.667 5.157 12.117 1.00 0.00 C ATOM 979 OD1 ASP A 68 1.034 5.756 13.013 1.00 0.00 O ATOM 980 OD2 ASP A 68 2.711 5.561 11.561 1.00 0.00 O ATOM 0 H ASP A 68 -0.617 5.645 11.949 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.032 3.732 9.837 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.984 3.168 12.532 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.853 3.326 11.019 1.00 0.00 H new ATOM 985 N HIS A 69 -1.564 2.990 12.691 1.00 0.00 N ATOM 986 CA HIS A 69 -2.443 2.035 13.345 1.00 0.00 C ATOM 987 C HIS A 69 -3.708 1.843 12.506 1.00 0.00 C ATOM 988 O HIS A 69 -4.384 0.821 12.621 1.00 0.00 O ATOM 989 CB HIS A 69 -2.744 2.468 14.781 1.00 0.00 C ATOM 990 CG HIS A 69 -3.763 3.578 14.886 1.00 0.00 C ATOM 991 ND1 HIS A 69 -3.419 4.889 15.166 1.00 0.00 N ATOM 992 CD2 HIS A 69 -5.120 3.558 14.746 1.00 0.00 C ATOM 993 CE1 HIS A 69 -4.526 5.616 15.191 1.00 0.00 C ATOM 994 NE2 HIS A 69 -5.579 4.790 14.931 1.00 0.00 N ATOM 0 H HIS A 69 -1.322 3.804 13.256 1.00 0.00 H new ATOM 0 HA HIS A 69 -1.946 1.068 13.416 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.102 1.605 15.342 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.817 2.793 15.254 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -2.473 5.236 15.326 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.719 2.688 14.523 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -4.584 6.677 15.384 1.00 0.00 H new ATOM 1002 N GLU A 70 -3.989 2.840 11.681 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.161 2.794 10.823 1.00 0.00 C ATOM 1004 C GLU A 70 -5.172 1.498 10.010 1.00 0.00 C ATOM 1005 O GLU A 70 -4.141 1.083 9.483 1.00 0.00 O ATOM 1006 CB GLU A 70 -5.218 4.018 9.907 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.822 5.220 10.634 1.00 0.00 C ATOM 1008 CD GLU A 70 -7.344 5.094 10.732 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -7.813 3.938 10.808 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -8.003 6.156 10.729 1.00 0.00 O ATOM 0 H GLU A 70 -3.425 3.685 11.588 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.050 2.812 11.453 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.214 4.265 9.561 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.812 3.787 9.023 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.395 5.297 11.634 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.563 6.137 10.105 1.00 0.00 H new ATOM 1017 N SER A 71 -6.350 0.896 9.932 1.00 0.00 N ATOM 1018 CA SER A 71 -6.509 -0.344 9.192 1.00 0.00 C ATOM 1019 C SER A 71 -6.782 -0.041 7.717 1.00 0.00 C ATOM 1020 O SER A 71 -7.870 0.410 7.363 1.00 0.00 O ATOM 1021 CB SER A 71 -7.638 -1.194 9.777 1.00 0.00 C ATOM 1022 OG SER A 71 -7.165 -2.101 10.769 1.00 0.00 O ATOM 0 H SER A 71 -7.203 1.244 10.369 1.00 0.00 H new ATOM 0 HA SER A 71 -5.583 -0.913 9.275 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.394 -0.541 10.214 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.123 -1.753 8.977 1.00 0.00 H new ATOM 0 HG SER A 71 -7.916 -2.624 11.119 1.00 0.00 H new ATOM 1028 N VAL A 72 -5.775 -0.302 6.896 1.00 0.00 N ATOM 1029 CA VAL A 72 -5.892 -0.063 5.468 1.00 0.00 C ATOM 1030 C VAL A 72 -7.227 -0.623 4.970 1.00 0.00 C ATOM 1031 O VAL A 72 -7.897 0.000 4.148 1.00 0.00 O ATOM 1032 CB VAL A 72 -4.686 -0.656 4.737 1.00 0.00 C ATOM 1033 CG1 VAL A 72 -3.523 0.338 4.704 1.00 0.00 C ATOM 1034 CG2 VAL A 72 -4.257 -1.981 5.371 1.00 0.00 C ATOM 0 H VAL A 72 -4.874 -0.677 7.193 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.888 1.007 5.258 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.984 -0.858 3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.678 -0.108 4.179 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.834 1.245 4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.227 0.586 5.723 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.398 -2.381 4.832 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.986 -1.815 6.414 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.081 -2.693 5.319 1.00 0.00 H new ATOM 1044 N VAL A 73 -7.572 -1.792 5.489 1.00 0.00 N ATOM 1045 CA VAL A 73 -8.815 -2.442 5.108 1.00 0.00 C ATOM 1046 C VAL A 73 -9.996 -1.588 5.572 1.00 0.00 C ATOM 1047 O VAL A 73 -10.792 -1.126 4.756 1.00 0.00 O ATOM 1048 CB VAL A 73 -8.852 -3.867 5.664 1.00 0.00 C ATOM 1049 CG1 VAL A 73 -10.161 -4.566 5.293 1.00 0.00 C ATOM 1050 CG2 VAL A 73 -7.644 -4.674 5.184 1.00 0.00 C ATOM 0 H VAL A 73 -7.013 -2.306 6.170 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.884 -2.529 4.024 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.802 -3.804 6.751 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.162 -5.577 5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.001 -4.008 5.706 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.254 -4.612 4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.694 -5.683 5.593 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.649 -4.724 4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.727 -4.191 5.521 1.00 0.00 H new ATOM 1060 N GLU A 74 -10.073 -1.404 6.882 1.00 0.00 N ATOM 1061 CA GLU A 74 -11.143 -0.613 7.465 1.00 0.00 C ATOM 1062 C GLU A 74 -11.294 0.712 6.715 1.00 0.00 C ATOM 1063 O GLU A 74 -12.409 1.187 6.504 1.00 0.00 O ATOM 1064 CB GLU A 74 -10.899 -0.375 8.956 1.00 0.00 C ATOM 1065 CG GLU A 74 -10.953 -1.689 9.738 1.00 0.00 C ATOM 1066 CD GLU A 74 -11.878 -1.568 10.951 1.00 0.00 C ATOM 1067 OE1 GLU A 74 -12.871 -0.818 10.835 1.00 0.00 O ATOM 1068 OE2 GLU A 74 -11.571 -2.229 11.966 1.00 0.00 O ATOM 0 H GLU A 74 -9.412 -1.789 7.556 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.075 -1.170 7.368 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.927 0.097 9.098 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.648 0.315 9.345 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.304 -2.490 9.087 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.950 -1.962 10.067 1.00 0.00 H new ATOM 1075 N VAL A 75 -10.155 1.272 6.333 1.00 0.00 N ATOM 1076 CA VAL A 75 -10.146 2.532 5.611 1.00 0.00 C ATOM 1077 C VAL A 75 -10.492 2.277 4.143 1.00 0.00 C ATOM 1078 O VAL A 75 -11.123 3.111 3.496 1.00 0.00 O ATOM 1079 CB VAL A 75 -8.798 3.231 5.795 1.00 0.00 C ATOM 1080 CG1 VAL A 75 -8.750 4.546 5.014 1.00 0.00 C ATOM 1081 CG2 VAL A 75 -8.498 3.463 7.277 1.00 0.00 C ATOM 0 H VAL A 75 -9.232 0.876 6.510 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.904 3.206 6.011 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.024 2.575 5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.781 5.022 5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.897 4.345 3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.538 5.209 5.370 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.534 3.961 7.379 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.278 4.088 7.713 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.468 2.505 7.796 1.00 0.00 H new ATOM 1091 N GLN A 76 -10.063 1.120 3.659 1.00 0.00 N ATOM 1092 CA GLN A 76 -10.319 0.745 2.279 1.00 0.00 C ATOM 1093 C GLN A 76 -11.800 0.412 2.086 1.00 0.00 C ATOM 1094 O GLN A 76 -12.346 0.604 1.001 1.00 0.00 O ATOM 1095 CB GLN A 76 -9.434 -0.430 1.858 1.00 0.00 C ATOM 1096 CG GLN A 76 -10.130 -1.290 0.801 1.00 0.00 C ATOM 1097 CD GLN A 76 -9.136 -2.231 0.118 1.00 0.00 C ATOM 1098 OE1 GLN A 76 -9.317 -3.437 0.069 1.00 0.00 O ATOM 1099 NE2 GLN A 76 -8.080 -1.616 -0.405 1.00 0.00 N ATOM 0 H GLN A 76 -9.540 0.430 4.198 1.00 0.00 H new ATOM 0 HA GLN A 76 -10.071 1.592 1.640 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.490 -0.055 1.463 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.195 -1.040 2.729 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.926 -1.872 1.267 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.599 -0.648 0.056 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.990 -0.603 -0.328 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.360 -2.157 -0.883 1.00 0.00 H new ATOM 1108 N ALA A 77 -12.407 -0.081 3.155 1.00 0.00 N ATOM 1109 CA ALA A 77 -13.814 -0.442 3.117 1.00 0.00 C ATOM 1110 C ALA A 77 -14.664 0.830 3.170 1.00 0.00 C ATOM 1111 O ALA A 77 -15.774 0.861 2.641 1.00 0.00 O ATOM 1112 CB ALA A 77 -14.127 -1.401 4.267 1.00 0.00 C ATOM 0 H ALA A 77 -11.950 -0.239 4.053 1.00 0.00 H new ATOM 0 HA ALA A 77 -14.052 -0.959 2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.183 -1.672 4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.519 -2.300 4.167 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.903 -0.916 5.217 1.00 0.00 H new ATOM 1118 N ALA A 78 -14.110 1.847 3.813 1.00 0.00 N ATOM 1119 CA ALA A 78 -14.803 3.118 3.942 1.00 0.00 C ATOM 1120 C ALA A 78 -14.993 3.733 2.554 1.00 0.00 C ATOM 1121 O ALA A 78 -16.047 4.295 2.259 1.00 0.00 O ATOM 1122 CB ALA A 78 -14.020 4.034 4.883 1.00 0.00 C ATOM 0 H ALA A 78 -13.189 1.817 4.250 1.00 0.00 H new ATOM 0 HA ALA A 78 -15.792 2.973 4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.540 4.987 4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -13.938 3.564 5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.022 4.204 4.478 1.00 0.00 H new ATOM 1128 N TRP A 79 -13.957 3.606 1.738 1.00 0.00 N ATOM 1129 CA TRP A 79 -13.996 4.143 0.389 1.00 0.00 C ATOM 1130 C TRP A 79 -15.367 3.820 -0.209 1.00 0.00 C ATOM 1131 O TRP A 79 -15.955 2.784 0.101 1.00 0.00 O ATOM 1132 CB TRP A 79 -12.836 3.604 -0.450 1.00 0.00 C ATOM 1133 CG TRP A 79 -11.457 4.064 0.026 1.00 0.00 C ATOM 1134 CD1 TRP A 79 -11.168 5.043 0.894 1.00 0.00 C ATOM 1135 CD2 TRP A 79 -10.183 3.520 -0.377 1.00 0.00 C ATOM 1136 NE1 TRP A 79 -9.807 5.170 1.079 1.00 0.00 N ATOM 1137 CE2 TRP A 79 -9.188 4.214 0.281 1.00 0.00 C ATOM 1138 CE3 TRP A 79 -9.880 2.476 -1.269 1.00 0.00 C ATOM 1139 CZ2 TRP A 79 -7.825 3.940 0.118 1.00 0.00 C ATOM 1140 CZ3 TRP A 79 -8.513 2.215 -1.422 1.00 0.00 C ATOM 1141 CH2 TRP A 79 -7.500 2.904 -0.766 1.00 0.00 C ATOM 0 H TRP A 79 -13.085 3.139 1.986 1.00 0.00 H new ATOM 0 HA TRP A 79 -13.867 5.225 0.401 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -12.868 2.515 -0.438 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -12.974 3.916 -1.485 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.908 5.656 1.387 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.340 5.841 1.689 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.642 1.919 -1.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.065 4.498 0.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.226 1.423 -2.097 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -6.466 2.641 -0.937 1.00 0.00 H new ATOM 1152 N PRO A 80 -15.850 4.749 -1.077 1.00 0.00 N ATOM 1153 CA PRO A 80 -17.141 4.573 -1.720 1.00 0.00 C ATOM 1154 C PRO A 80 -17.060 3.526 -2.832 1.00 0.00 C ATOM 1155 O PRO A 80 -15.971 3.183 -3.290 1.00 0.00 O ATOM 1156 CB PRO A 80 -17.517 5.954 -2.231 1.00 0.00 C ATOM 1157 CG PRO A 80 -16.224 6.752 -2.267 1.00 0.00 C ATOM 1158 CD PRO A 80 -15.182 5.987 -1.467 1.00 0.00 C ATOM 0 HA PRO A 80 -17.903 4.194 -1.039 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -17.967 5.894 -3.222 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.249 6.427 -1.576 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -15.890 6.891 -3.295 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.376 7.745 -1.844 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -14.293 5.786 -2.065 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.858 6.554 -0.594 1.00 0.00 H new ATOM 1166 N VAL A 81 -18.228 3.046 -3.235 1.00 0.00 N ATOM 1167 CA VAL A 81 -18.304 2.045 -4.285 1.00 0.00 C ATOM 1168 C VAL A 81 -18.532 2.738 -5.630 1.00 0.00 C ATOM 1169 O VAL A 81 -19.606 2.623 -6.218 1.00 0.00 O ATOM 1170 CB VAL A 81 -19.387 1.017 -3.951 1.00 0.00 C ATOM 1171 CG1 VAL A 81 -19.558 0.011 -5.091 1.00 0.00 C ATOM 1172 CG2 VAL A 81 -19.079 0.305 -2.633 1.00 0.00 C ATOM 0 H VAL A 81 -19.129 3.332 -2.853 1.00 0.00 H new ATOM 0 HA VAL A 81 -17.365 1.496 -4.357 1.00 0.00 H new ATOM 0 HB VAL A 81 -20.330 1.551 -3.831 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -20.334 -0.708 -4.828 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -19.845 0.538 -6.001 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.617 -0.514 -5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -19.864 -0.420 -2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -18.121 -0.210 -2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -19.032 1.037 -1.827 1.00 0.00 H new ATOM 1182 N GLY A 82 -17.503 3.443 -6.078 1.00 0.00 N ATOM 1183 CA GLY A 82 -17.578 4.155 -7.343 1.00 0.00 C ATOM 1184 C GLY A 82 -16.188 4.596 -7.806 1.00 0.00 C ATOM 1185 O GLY A 82 -15.838 4.433 -8.974 1.00 0.00 O ATOM 0 H GLY A 82 -16.613 3.536 -5.588 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -18.031 3.514 -8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -18.223 5.027 -7.236 1.00 0.00 H new ATOM 1189 N GLY A 83 -15.433 5.147 -6.867 1.00 0.00 N ATOM 1190 CA GLY A 83 -14.090 5.613 -7.164 1.00 0.00 C ATOM 1191 C GLY A 83 -13.058 4.512 -6.908 1.00 0.00 C ATOM 1192 O GLY A 83 -13.081 3.866 -5.862 1.00 0.00 O ATOM 0 H GLY A 83 -15.726 5.281 -5.899 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -14.034 5.934 -8.204 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.859 6.483 -6.549 1.00 0.00 H new ATOM 1196 N ASP A 84 -12.178 4.332 -7.882 1.00 0.00 N ATOM 1197 CA ASP A 84 -11.140 3.321 -7.776 1.00 0.00 C ATOM 1198 C ASP A 84 -10.047 3.816 -6.826 1.00 0.00 C ATOM 1199 O ASP A 84 -8.883 3.914 -7.211 1.00 0.00 O ATOM 1200 CB ASP A 84 -10.496 3.048 -9.136 1.00 0.00 C ATOM 1201 CG ASP A 84 -11.268 2.080 -10.035 1.00 0.00 C ATOM 1202 OD1 ASP A 84 -12.506 2.019 -9.872 1.00 0.00 O ATOM 1203 OD2 ASP A 84 -10.604 1.422 -10.864 1.00 0.00 O ATOM 0 H ASP A 84 -12.163 4.870 -8.749 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.599 2.405 -7.404 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.380 3.995 -9.663 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.495 2.649 -8.973 1.00 0.00 H new ATOM 1208 N SER A 85 -10.461 4.114 -5.603 1.00 0.00 N ATOM 1209 CA SER A 85 -9.532 4.597 -4.596 1.00 0.00 C ATOM 1210 C SER A 85 -8.345 3.639 -4.477 1.00 0.00 C ATOM 1211 O SER A 85 -8.472 2.449 -4.764 1.00 0.00 O ATOM 1212 CB SER A 85 -10.223 4.756 -3.240 1.00 0.00 C ATOM 1213 OG SER A 85 -11.158 5.831 -3.240 1.00 0.00 O ATOM 0 H SER A 85 -11.427 4.030 -5.287 1.00 0.00 H new ATOM 0 HA SER A 85 -9.170 5.577 -4.907 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.736 3.829 -2.984 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.472 4.928 -2.469 1.00 0.00 H new ATOM 0 HG SER A 85 -10.689 6.673 -3.419 1.00 0.00 H new ATOM 1219 N ARG A 86 -7.218 4.192 -4.054 1.00 0.00 N ATOM 1220 CA ARG A 86 -6.010 3.402 -3.894 1.00 0.00 C ATOM 1221 C ARG A 86 -5.104 4.026 -2.830 1.00 0.00 C ATOM 1222 O ARG A 86 -5.327 5.160 -2.408 1.00 0.00 O ATOM 1223 CB ARG A 86 -5.241 3.299 -5.212 1.00 0.00 C ATOM 1224 CG ARG A 86 -5.023 4.682 -5.830 1.00 0.00 C ATOM 1225 CD ARG A 86 -3.545 5.075 -5.788 1.00 0.00 C ATOM 1226 NE ARG A 86 -3.323 6.292 -6.600 1.00 0.00 N ATOM 1227 CZ ARG A 86 -3.251 6.301 -7.938 1.00 0.00 C ATOM 1228 NH1 ARG A 86 -3.385 5.157 -8.623 1.00 0.00 N ATOM 1229 NH2 ARG A 86 -3.046 7.453 -8.591 1.00 0.00 N ATOM 0 H ARG A 86 -7.116 5.179 -3.817 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.308 2.401 -3.581 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.278 2.818 -5.039 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.791 2.668 -5.910 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.374 4.682 -6.862 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.615 5.422 -5.292 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.237 5.254 -4.758 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.932 4.258 -6.167 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.218 7.180 -6.110 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.542 4.280 -8.126 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.330 5.163 -9.642 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.945 8.324 -8.070 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.991 7.459 -9.610 1.00 0.00 H new ATOM 1243 N PHE A 87 -4.102 3.259 -2.427 1.00 0.00 N ATOM 1244 CA PHE A 87 -3.162 3.723 -1.421 1.00 0.00 C ATOM 1245 C PHE A 87 -1.825 4.111 -2.057 1.00 0.00 C ATOM 1246 O PHE A 87 -1.408 3.513 -3.048 1.00 0.00 O ATOM 1247 CB PHE A 87 -2.934 2.560 -0.453 1.00 0.00 C ATOM 1248 CG PHE A 87 -3.979 2.463 0.660 1.00 0.00 C ATOM 1249 CD1 PHE A 87 -3.989 3.379 1.665 1.00 0.00 C ATOM 1250 CD2 PHE A 87 -4.899 1.461 0.643 1.00 0.00 C ATOM 1251 CE1 PHE A 87 -4.960 3.289 2.698 1.00 0.00 C ATOM 1252 CE2 PHE A 87 -5.869 1.371 1.676 1.00 0.00 C ATOM 1253 CZ PHE A 87 -5.879 2.287 2.682 1.00 0.00 C ATOM 0 H PHE A 87 -3.920 2.319 -2.779 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.562 4.602 -0.915 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.931 1.627 -1.017 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.947 2.664 -0.003 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.259 4.175 1.678 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.892 0.734 -0.156 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.968 4.017 3.496 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.599 0.575 1.663 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.617 2.218 3.468 1.00 0.00 H new ATOM 1263 N VAL A 88 -1.191 5.110 -1.461 1.00 0.00 N ATOM 1264 CA VAL A 88 0.090 5.585 -1.957 1.00 0.00 C ATOM 1265 C VAL A 88 1.090 5.640 -0.801 1.00 0.00 C ATOM 1266 O VAL A 88 0.725 5.973 0.326 1.00 0.00 O ATOM 1267 CB VAL A 88 -0.088 6.932 -2.659 1.00 0.00 C ATOM 1268 CG1 VAL A 88 1.256 7.479 -3.145 1.00 0.00 C ATOM 1269 CG2 VAL A 88 -1.086 6.822 -3.813 1.00 0.00 C ATOM 0 H VAL A 88 -1.540 5.604 -0.639 1.00 0.00 H new ATOM 0 HA VAL A 88 0.491 4.897 -2.701 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.493 7.637 -1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.101 8.437 -3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.923 7.614 -2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.703 6.775 -3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.194 7.794 -4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.723 6.095 -4.540 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.053 6.499 -3.428 1.00 0.00 H new ATOM 1279 N PHE A 89 2.333 5.309 -1.120 1.00 0.00 N ATOM 1280 CA PHE A 89 3.389 5.316 -0.122 1.00 0.00 C ATOM 1281 C PHE A 89 4.291 6.541 -0.287 1.00 0.00 C ATOM 1282 O PHE A 89 4.941 6.703 -1.319 1.00 0.00 O ATOM 1283 CB PHE A 89 4.221 4.051 -0.341 1.00 0.00 C ATOM 1284 CG PHE A 89 5.060 3.640 0.871 1.00 0.00 C ATOM 1285 CD1 PHE A 89 4.492 3.589 2.105 1.00 0.00 C ATOM 1286 CD2 PHE A 89 6.374 3.326 0.713 1.00 0.00 C ATOM 1287 CE1 PHE A 89 5.271 3.208 3.230 1.00 0.00 C ATOM 1288 CE2 PHE A 89 7.153 2.945 1.838 1.00 0.00 C ATOM 1289 CZ PHE A 89 6.585 2.894 3.072 1.00 0.00 C ATOM 0 H PHE A 89 2.632 5.034 -2.056 1.00 0.00 H new ATOM 0 HA PHE A 89 2.956 5.349 0.878 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.553 3.230 -0.603 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.883 4.207 -1.192 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.449 3.838 2.230 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.825 3.366 -0.268 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.820 3.168 4.211 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.196 2.696 1.713 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.177 2.604 3.927 1.00 0.00 H new ATOM 1299 N ARG A 90 4.302 7.372 0.744 1.00 0.00 N ATOM 1300 CA ARG A 90 5.114 8.577 0.726 1.00 0.00 C ATOM 1301 C ARG A 90 5.566 8.934 2.144 1.00 0.00 C ATOM 1302 O ARG A 90 4.903 8.582 3.118 1.00 0.00 O ATOM 1303 CB ARG A 90 4.337 9.755 0.134 1.00 0.00 C ATOM 1304 CG ARG A 90 2.936 9.849 0.742 1.00 0.00 C ATOM 1305 CD ARG A 90 1.990 10.622 -0.179 1.00 0.00 C ATOM 1306 NE ARG A 90 2.344 12.059 -0.178 1.00 0.00 N ATOM 1307 CZ ARG A 90 1.689 12.995 -0.878 1.00 0.00 C ATOM 1308 NH1 ARG A 90 0.642 12.651 -1.640 1.00 0.00 N ATOM 1309 NH2 ARG A 90 2.081 14.275 -0.816 1.00 0.00 N ATOM 0 H ARG A 90 3.761 7.235 1.598 1.00 0.00 H new ATOM 0 HA ARG A 90 5.986 8.381 0.102 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.880 10.682 0.317 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.261 9.639 -0.947 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.543 8.847 0.915 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.989 10.343 1.712 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.051 10.225 -1.192 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.960 10.493 0.153 1.00 0.00 H new ATOM 0 HE ARG A 90 3.137 12.356 0.391 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.344 11.677 -1.687 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.143 13.363 -2.173 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.878 14.537 -0.236 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.582 14.987 -1.349 1.00 0.00 H new ATOM 1323 N LYS A 91 6.692 9.629 2.214 1.00 0.00 N ATOM 1324 CA LYS A 91 7.241 10.037 3.496 1.00 0.00 C ATOM 1325 C LYS A 91 7.085 11.551 3.653 1.00 0.00 C ATOM 1326 O LYS A 91 7.045 12.281 2.664 1.00 0.00 O ATOM 1327 CB LYS A 91 8.683 9.549 3.641 1.00 0.00 C ATOM 1328 CG LYS A 91 9.643 10.428 2.837 1.00 0.00 C ATOM 1329 CD LYS A 91 11.061 9.852 2.857 1.00 0.00 C ATOM 1330 CE LYS A 91 11.602 9.680 1.436 1.00 0.00 C ATOM 1331 NZ LYS A 91 12.322 10.899 1.005 1.00 0.00 N ATOM 0 H LYS A 91 7.239 9.920 1.404 1.00 0.00 H new ATOM 0 HA LYS A 91 6.689 9.572 4.313 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.970 9.558 4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.757 8.517 3.300 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.293 10.507 1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.650 11.437 3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.718 10.513 3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.059 8.890 3.369 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.272 8.822 1.397 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.780 9.474 0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.683 10.766 0.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.672 11.711 1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.118 11.078 1.650 1.00 0.00 H new