USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 435 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 Single : A 11 LYS NZ :NH3+ -140:sc= -0.492 (180deg=-2.64!) USER MOD Single : A 14 CYS SG : rot 10:sc= 0.184 USER MOD Single : A 15 ASN : amide:sc= -1.56 K(o=-1.6,f=-5.5!) USER MOD Single : A 16 TYR OH : rot 180:sc= -1.3 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.5!) USER MOD Single : A 25 LYS NZ :NH3+ -163:sc= -0.0359 (180deg=-0.263) USER MOD Single : A 27 ASN : amide:sc= -6.61! C(o=-6.6!,f=-6.1!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc=-0.00284 K(o=-0.0028,f=-0.8) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.127 F(o=-1.3,f=-0.13) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -50:sc= -0.288 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -6.404 -8.746 0.975 1.00 0.00 N ATOM 67 CA PRO A 8 -4.948 -8.672 0.815 1.00 0.00 C ATOM 68 C PRO A 8 -4.345 -7.475 1.543 1.00 0.00 C ATOM 69 O PRO A 8 -5.066 -6.591 2.006 1.00 0.00 O ATOM 70 CB PRO A 8 -4.764 -8.526 -0.697 1.00 0.00 C ATOM 71 CG PRO A 8 -6.035 -7.914 -1.177 1.00 0.00 C ATOM 72 CD PRO A 8 -7.117 -8.449 -0.279 1.00 0.00 C ATOM 0 HA PRO A 8 -4.447 -9.543 1.237 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.907 -7.895 -0.932 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.587 -9.492 -1.169 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.988 -6.826 -1.126 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.226 -8.177 -2.218 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.911 -7.718 -0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.582 -9.341 -0.698 1.00 0.00 H new ATOM 80 N ARG A 9 -3.020 -7.453 1.639 1.00 0.00 N ATOM 81 CA ARG A 9 -2.321 -6.365 2.311 1.00 0.00 C ATOM 82 C ARG A 9 -0.947 -6.134 1.687 1.00 0.00 C ATOM 83 O ARG A 9 -0.433 -6.985 0.962 1.00 0.00 O ATOM 84 CB ARG A 9 -2.170 -6.671 3.802 1.00 0.00 C ATOM 85 CG ARG A 9 -3.446 -6.456 4.600 1.00 0.00 C ATOM 86 CD ARG A 9 -3.161 -6.359 6.091 1.00 0.00 C ATOM 87 NE ARG A 9 -2.862 -7.663 6.676 1.00 0.00 N ATOM 88 CZ ARG A 9 -2.389 -7.825 7.907 1.00 0.00 C ATOM 89 NH1 ARG A 9 -2.162 -6.770 8.677 1.00 0.00 N ATOM 90 NH2 ARG A 9 -2.141 -9.044 8.369 1.00 0.00 N ATOM 0 H ARG A 9 -2.409 -8.176 1.260 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.913 -5.458 2.191 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.847 -7.705 3.921 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.382 -6.041 4.216 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.938 -5.544 4.262 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.136 -7.279 4.413 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.320 -5.686 6.256 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.022 -5.923 6.597 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.025 -8.495 6.109 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.351 -5.831 8.325 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.799 -6.897 9.622 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.313 -9.858 7.779 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.778 -9.167 9.314 1.00 0.00 H new ATOM 104 N ALA A 10 -0.360 -4.977 1.974 1.00 0.00 N ATOM 105 CA ALA A 10 0.954 -4.635 1.443 1.00 0.00 C ATOM 106 C ALA A 10 1.849 -4.048 2.529 1.00 0.00 C ATOM 107 O ALA A 10 1.369 -3.419 3.472 1.00 0.00 O ATOM 108 CB ALA A 10 0.816 -3.658 0.284 1.00 0.00 C ATOM 0 H ALA A 10 -0.773 -4.261 2.571 1.00 0.00 H new ATOM 0 HA ALA A 10 1.422 -5.550 1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.804 -3.411 -0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.220 -4.113 -0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.325 -2.749 0.631 1.00 0.00 H new ATOM 114 N LYS A 11 3.154 -4.257 2.390 1.00 0.00 N ATOM 115 CA LYS A 11 4.118 -3.748 3.359 1.00 0.00 C ATOM 116 C LYS A 11 5.093 -2.779 2.698 1.00 0.00 C ATOM 117 O LYS A 11 5.597 -3.039 1.606 1.00 0.00 O ATOM 118 CB LYS A 11 4.888 -4.905 3.999 1.00 0.00 C ATOM 119 CG LYS A 11 5.959 -4.455 4.977 1.00 0.00 C ATOM 120 CD LYS A 11 6.629 -5.639 5.654 1.00 0.00 C ATOM 121 CE LYS A 11 8.024 -5.285 6.145 1.00 0.00 C ATOM 122 NZ LYS A 11 7.996 -4.682 7.507 1.00 0.00 N ATOM 0 H LYS A 11 3.568 -4.775 1.616 1.00 0.00 H new ATOM 0 HA LYS A 11 3.569 -3.212 4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.184 -5.556 4.518 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.353 -5.500 3.213 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.708 -3.864 4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.514 -3.807 5.732 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.020 -5.971 6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.689 -6.473 4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.643 -6.182 6.158 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.488 -4.587 5.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.682 -3.901 7.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.042 -4.318 7.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.245 -5.405 8.212 1.00 0.00 H new ATOM 136 N ALA A 12 5.356 -1.662 3.368 1.00 0.00 N ATOM 137 CA ALA A 12 6.274 -0.656 2.848 1.00 0.00 C ATOM 138 C ALA A 12 7.716 -1.146 2.906 1.00 0.00 C ATOM 139 O ALA A 12 8.113 -1.829 3.852 1.00 0.00 O ATOM 140 CB ALA A 12 6.124 0.646 3.621 1.00 0.00 C ATOM 0 H ALA A 12 4.946 -1.431 4.273 1.00 0.00 H new ATOM 0 HA ALA A 12 6.022 -0.476 1.803 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.816 1.388 3.222 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.102 1.012 3.522 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.347 0.472 4.674 1.00 0.00 H new ATOM 146 N LEU A 13 8.497 -0.795 1.891 1.00 0.00 N ATOM 147 CA LEU A 13 9.897 -1.200 1.827 1.00 0.00 C ATOM 148 C LEU A 13 10.813 -0.071 2.287 1.00 0.00 C ATOM 149 O LEU A 13 11.836 -0.310 2.929 1.00 0.00 O ATOM 150 CB LEU A 13 10.263 -1.619 0.402 1.00 0.00 C ATOM 151 CG LEU A 13 9.514 -2.831 -0.155 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.801 -3.000 -1.638 1.00 0.00 C ATOM 153 CD2 LEU A 13 9.892 -4.090 0.611 1.00 0.00 C ATOM 0 H LEU A 13 8.185 -0.231 1.101 1.00 0.00 H new ATOM 0 HA LEU A 13 10.034 -2.050 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.087 -0.772 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.332 -1.831 0.370 1.00 0.00 H new ATOM 0 HG LEU A 13 8.444 -2.662 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.260 -3.867 -2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.479 -2.108 -2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.871 -3.146 -1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.350 -4.942 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.964 -4.264 0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.633 -3.967 1.663 1.00 0.00 H new ATOM 165 N CYS A 14 10.437 1.160 1.957 1.00 0.00 N ATOM 166 CA CYS A 14 11.224 2.328 2.339 1.00 0.00 C ATOM 167 C CYS A 14 10.317 3.496 2.713 1.00 0.00 C ATOM 168 O CYS A 14 9.093 3.371 2.707 1.00 0.00 O ATOM 169 CB CYS A 14 12.156 2.736 1.197 1.00 0.00 C ATOM 170 SG CYS A 14 13.520 1.584 0.910 1.00 0.00 S ATOM 0 H CYS A 14 9.593 1.375 1.426 1.00 0.00 H new ATOM 0 HA CYS A 14 11.823 2.063 3.210 1.00 0.00 H new ATOM 0 HB2 CYS A 14 11.572 2.827 0.281 1.00 0.00 H new ATOM 0 HB3 CYS A 14 12.567 3.722 1.412 1.00 0.00 H new ATOM 0 HG CYS A 14 13.328 0.502 1.605 1.00 0.00 H new ATOM 176 N ASN A 15 10.927 4.630 3.040 1.00 0.00 N ATOM 177 CA ASN A 15 10.174 5.821 3.419 1.00 0.00 C ATOM 178 C ASN A 15 9.434 6.402 2.218 1.00 0.00 C ATOM 179 O ASN A 15 10.050 6.916 1.285 1.00 0.00 O ATOM 180 CB ASN A 15 11.111 6.874 4.013 1.00 0.00 C ATOM 181 CG ASN A 15 12.211 7.278 3.051 1.00 0.00 C ATOM 182 OD1 ASN A 15 12.374 6.677 1.989 1.00 0.00 O ATOM 183 ND2 ASN A 15 12.972 8.303 3.419 1.00 0.00 N ATOM 0 H ASN A 15 11.940 4.750 3.050 1.00 0.00 H new ATOM 0 HA ASN A 15 9.439 5.532 4.171 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.533 7.755 4.290 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.557 6.484 4.928 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.727 8.621 2.812 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.801 8.772 4.309 1.00 0.00 H new ATOM 190 N TYR A 16 8.108 6.317 2.250 1.00 0.00 N ATOM 191 CA TYR A 16 7.283 6.833 1.164 1.00 0.00 C ATOM 192 C TYR A 16 6.397 7.976 1.649 1.00 0.00 C ATOM 193 O TYR A 16 5.526 8.453 0.921 1.00 0.00 O ATOM 194 CB TYR A 16 6.419 5.716 0.577 1.00 0.00 C ATOM 195 CG TYR A 16 5.990 5.968 -0.850 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.823 5.646 -1.914 1.00 0.00 C ATOM 197 CD2 TYR A 16 4.751 6.529 -1.135 1.00 0.00 C ATOM 198 CE1 TYR A 16 6.435 5.876 -3.220 1.00 0.00 C ATOM 199 CE2 TYR A 16 4.354 6.761 -2.438 1.00 0.00 C ATOM 200 CZ TYR A 16 5.200 6.433 -3.477 1.00 0.00 C ATOM 201 OH TYR A 16 4.810 6.662 -4.776 1.00 0.00 O ATOM 0 H TYR A 16 7.582 5.896 3.016 1.00 0.00 H new ATOM 0 HA TYR A 16 7.946 7.216 0.388 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.973 4.779 0.621 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.532 5.591 1.197 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.791 5.208 -1.717 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.087 6.788 -0.324 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.096 5.621 -4.035 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.387 7.197 -2.642 1.00 0.00 H new ATOM 0 HH TYR A 16 3.913 7.057 -4.783 1.00 0.00 H new ATOM 211 N ARG A 17 6.625 8.410 2.884 1.00 0.00 N ATOM 212 CA ARG A 17 5.848 9.497 3.468 1.00 0.00 C ATOM 213 C ARG A 17 6.420 10.852 3.065 1.00 0.00 C ATOM 214 O ARG A 17 6.270 11.840 3.783 1.00 0.00 O ATOM 215 CB ARG A 17 5.825 9.373 4.993 1.00 0.00 C ATOM 216 CG ARG A 17 7.144 9.739 5.653 1.00 0.00 C ATOM 217 CD ARG A 17 8.093 8.552 5.698 1.00 0.00 C ATOM 218 NE ARG A 17 9.086 8.685 6.760 1.00 0.00 N ATOM 219 CZ ARG A 17 10.185 9.423 6.650 1.00 0.00 C ATOM 220 NH1 ARG A 17 10.429 10.091 5.531 1.00 0.00 N ATOM 221 NH2 ARG A 17 11.042 9.494 7.661 1.00 0.00 N ATOM 0 H ARG A 17 7.342 8.026 3.500 1.00 0.00 H new ATOM 0 HA ARG A 17 4.828 9.426 3.089 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.039 10.016 5.390 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.565 8.349 5.262 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.610 10.559 5.106 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.958 10.096 6.666 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.521 7.636 5.849 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.600 8.457 4.738 1.00 0.00 H new ATOM 0 HE ARG A 17 8.927 8.184 7.634 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.772 10.039 4.752 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.274 10.657 5.449 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.857 8.982 8.523 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.886 10.061 7.576 1.00 0.00 H new ATOM 235 N GLY A 18 7.079 10.892 1.911 1.00 0.00 N ATOM 236 CA GLY A 18 7.665 12.131 1.433 1.00 0.00 C ATOM 237 C GLY A 18 6.623 13.102 0.914 1.00 0.00 C ATOM 238 O GLY A 18 5.534 13.216 1.477 1.00 0.00 O ATOM 0 H GLY A 18 7.218 10.088 1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.224 12.601 2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.378 11.910 0.639 1.00 0.00 H new ATOM 242 N LYS A 19 6.958 13.807 -0.161 1.00 0.00 N ATOM 243 CA LYS A 19 6.044 14.775 -0.756 1.00 0.00 C ATOM 244 C LYS A 19 5.684 14.378 -2.184 1.00 0.00 C ATOM 245 O LYS A 19 6.503 14.491 -3.095 1.00 0.00 O ATOM 246 CB LYS A 19 6.671 16.172 -0.747 1.00 0.00 C ATOM 247 CG LYS A 19 7.063 16.653 0.639 1.00 0.00 C ATOM 248 CD LYS A 19 5.841 16.923 1.502 1.00 0.00 C ATOM 249 CE LYS A 19 6.147 16.725 2.978 1.00 0.00 C ATOM 250 NZ LYS A 19 6.816 17.916 3.571 1.00 0.00 N ATOM 0 H LYS A 19 7.856 13.726 -0.638 1.00 0.00 H new ATOM 0 HA LYS A 19 5.131 14.788 -0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.555 16.169 -1.385 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.966 16.880 -1.183 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.692 15.904 1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.658 17.562 0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.494 17.943 1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.030 16.258 1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.221 16.523 3.517 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.786 15.850 3.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.008 17.741 4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.712 18.094 3.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.196 18.746 3.476 1.00 0.00 H new ATOM 264 N ASN A 20 4.454 13.912 -2.372 1.00 0.00 N ATOM 265 CA ASN A 20 3.986 13.498 -3.690 1.00 0.00 C ATOM 266 C ASN A 20 2.620 14.105 -3.997 1.00 0.00 C ATOM 267 O ASN A 20 1.807 14.351 -3.106 1.00 0.00 O ATOM 268 CB ASN A 20 3.908 11.972 -3.770 1.00 0.00 C ATOM 269 CG ASN A 20 5.218 11.349 -4.211 1.00 0.00 C ATOM 270 OD1 ASN A 20 5.967 11.938 -4.990 1.00 0.00 O ATOM 271 ND2 ASN A 20 5.500 10.151 -3.713 1.00 0.00 N ATOM 0 H ASN A 20 3.763 13.811 -1.628 1.00 0.00 H new ATOM 0 HA ASN A 20 4.699 13.858 -4.432 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.629 11.573 -2.794 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.120 11.687 -4.467 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.367 9.682 -3.973 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.849 9.700 -3.070 1.00 0.00 H new ATOM 278 N PRO A 21 2.361 14.353 -5.290 1.00 0.00 N ATOM 279 CA PRO A 21 1.094 14.934 -5.745 1.00 0.00 C ATOM 280 C PRO A 21 -0.075 13.965 -5.595 1.00 0.00 C ATOM 281 O PRO A 21 -0.183 12.988 -6.335 1.00 0.00 O ATOM 282 CB PRO A 21 1.353 15.234 -7.224 1.00 0.00 C ATOM 283 CG PRO A 21 2.422 14.276 -7.623 1.00 0.00 C ATOM 284 CD PRO A 21 3.283 14.086 -6.405 1.00 0.00 C ATOM 0 HA PRO A 21 0.814 15.810 -5.160 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.452 15.092 -7.820 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.672 16.266 -7.369 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.994 13.328 -7.950 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.006 14.667 -8.456 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.692 13.077 -6.355 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.129 14.773 -6.400 1.00 0.00 H new ATOM 292 N GLY A 22 -0.948 14.244 -4.632 1.00 0.00 N ATOM 293 CA GLY A 22 -2.097 13.388 -4.403 1.00 0.00 C ATOM 294 C GLY A 22 -1.712 11.931 -4.238 1.00 0.00 C ATOM 295 O GLY A 22 -2.181 11.070 -4.983 1.00 0.00 O ATOM 0 H GLY A 22 -0.880 15.047 -4.007 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.624 13.724 -3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.790 13.485 -5.238 1.00 0.00 H new ATOM 299 N ASP A 23 -0.854 11.655 -3.262 1.00 0.00 N ATOM 300 CA ASP A 23 -0.405 10.292 -3.002 1.00 0.00 C ATOM 301 C ASP A 23 -0.570 9.938 -1.527 1.00 0.00 C ATOM 302 O ASP A 23 -1.051 10.747 -0.733 1.00 0.00 O ATOM 303 CB ASP A 23 1.057 10.126 -3.419 1.00 0.00 C ATOM 304 CG ASP A 23 1.210 9.881 -4.907 1.00 0.00 C ATOM 305 OD1 ASP A 23 0.492 10.533 -5.693 1.00 0.00 O ATOM 306 OD2 ASP A 23 2.048 9.036 -5.287 1.00 0.00 O ATOM 0 H ASP A 23 -0.456 12.357 -2.638 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.022 9.613 -3.591 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.615 11.021 -3.142 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.496 9.293 -2.870 1.00 0.00 H new ATOM 311 N LEU A 24 -0.169 8.723 -1.168 1.00 0.00 N ATOM 312 CA LEU A 24 -0.272 8.261 0.212 1.00 0.00 C ATOM 313 C LEU A 24 1.098 8.229 0.880 1.00 0.00 C ATOM 314 O LEU A 24 2.072 7.747 0.302 1.00 0.00 O ATOM 315 CB LEU A 24 -0.906 6.869 0.257 1.00 0.00 C ATOM 316 CG LEU A 24 -1.622 6.500 1.557 1.00 0.00 C ATOM 317 CD1 LEU A 24 -2.613 5.371 1.319 1.00 0.00 C ATOM 318 CD2 LEU A 24 -0.614 6.109 2.628 1.00 0.00 C ATOM 0 H LEU A 24 0.230 8.041 -1.813 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.905 8.961 0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.620 6.790 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.126 6.130 0.073 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.174 7.373 1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.113 5.122 2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.354 5.686 0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.083 4.494 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.141 5.850 3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.035 5.251 2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.057 6.946 2.819 1.00 0.00 H new ATOM 330 N LYS A 25 1.166 8.745 2.103 1.00 0.00 N ATOM 331 CA LYS A 25 2.416 8.774 2.853 1.00 0.00 C ATOM 332 C LYS A 25 2.467 7.638 3.869 1.00 0.00 C ATOM 333 O LYS A 25 1.579 7.504 4.711 1.00 0.00 O ATOM 334 CB LYS A 25 2.575 10.118 3.567 1.00 0.00 C ATOM 335 CG LYS A 25 2.949 11.260 2.638 1.00 0.00 C ATOM 336 CD LYS A 25 2.834 12.606 3.334 1.00 0.00 C ATOM 337 CE LYS A 25 1.382 13.024 3.504 1.00 0.00 C ATOM 338 NZ LYS A 25 0.740 13.343 2.198 1.00 0.00 N ATOM 0 H LYS A 25 0.369 9.149 2.596 1.00 0.00 H new ATOM 0 HA LYS A 25 3.237 8.645 2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.641 10.364 4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.340 10.022 4.338 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.969 11.120 2.281 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.300 11.245 1.763 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.315 12.554 4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.366 13.362 2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.829 12.223 3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.329 13.895 4.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.130 13.888 2.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.395 13.904 1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.506 12.460 1.701 1.00 0.00 H new ATOM 352 N PHE A 26 3.513 6.822 3.785 1.00 0.00 N ATOM 353 CA PHE A 26 3.680 5.697 4.698 1.00 0.00 C ATOM 354 C PHE A 26 5.150 5.500 5.056 1.00 0.00 C ATOM 355 O PHE A 26 6.039 5.801 4.261 1.00 0.00 O ATOM 356 CB PHE A 26 3.121 4.417 4.072 1.00 0.00 C ATOM 357 CG PHE A 26 3.684 4.120 2.712 1.00 0.00 C ATOM 358 CD1 PHE A 26 4.897 3.463 2.579 1.00 0.00 C ATOM 359 CD2 PHE A 26 3.001 4.496 1.567 1.00 0.00 C ATOM 360 CE1 PHE A 26 5.419 3.187 1.329 1.00 0.00 C ATOM 361 CE2 PHE A 26 3.518 4.223 0.314 1.00 0.00 C ATOM 362 CZ PHE A 26 4.728 3.568 0.195 1.00 0.00 C ATOM 0 H PHE A 26 4.257 6.919 3.094 1.00 0.00 H new ATOM 0 HA PHE A 26 3.128 5.918 5.611 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.330 3.577 4.734 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.037 4.502 3.997 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.441 3.163 3.462 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.054 5.008 1.654 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.365 2.674 1.239 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.976 4.522 -0.571 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.133 3.354 -0.783 1.00 0.00 H new ATOM 372 N ASN A 27 5.397 4.994 6.260 1.00 0.00 N ATOM 373 CA ASN A 27 6.759 4.758 6.725 1.00 0.00 C ATOM 374 C ASN A 27 7.148 3.293 6.550 1.00 0.00 C ATOM 375 O ASN A 27 6.347 2.393 6.800 1.00 0.00 O ATOM 376 CB ASN A 27 6.896 5.162 8.194 1.00 0.00 C ATOM 377 CG ASN A 27 6.363 4.100 9.137 1.00 0.00 C ATOM 378 OD1 ASN A 27 5.269 4.234 9.686 1.00 0.00 O ATOM 379 ND2 ASN A 27 7.136 3.038 9.330 1.00 0.00 N ATOM 0 H ASN A 27 4.672 4.740 6.931 1.00 0.00 H new ATOM 0 HA ASN A 27 7.432 5.368 6.123 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.945 5.351 8.420 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.360 6.096 8.363 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.830 2.291 9.954 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.035 2.969 8.854 1.00 0.00 H new ATOM 386 N LYS A 28 8.384 3.062 6.120 1.00 0.00 N ATOM 387 CA LYS A 28 8.881 1.707 5.913 1.00 0.00 C ATOM 388 C LYS A 28 8.318 0.754 6.962 1.00 0.00 C ATOM 389 O LYS A 28 8.447 0.991 8.163 1.00 0.00 O ATOM 390 CB LYS A 28 10.411 1.690 5.962 1.00 0.00 C ATOM 391 CG LYS A 28 11.004 0.292 5.969 1.00 0.00 C ATOM 392 CD LYS A 28 12.494 0.320 6.263 1.00 0.00 C ATOM 393 CE LYS A 28 13.188 -0.931 5.747 1.00 0.00 C ATOM 394 NZ LYS A 28 13.169 -2.031 6.751 1.00 0.00 N ATOM 0 H LYS A 28 9.060 3.796 5.908 1.00 0.00 H new ATOM 0 HA LYS A 28 8.551 1.372 4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.800 2.236 5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.743 2.221 6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.496 -0.316 6.718 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.832 -0.182 5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.940 1.201 5.802 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.652 0.408 7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.699 -1.266 4.832 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.220 -0.693 5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.652 -2.865 6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.658 -1.721 7.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.184 -2.276 6.979 1.00 0.00 H new ATOM 408 N GLY A 29 7.693 -0.325 6.501 1.00 0.00 N ATOM 409 CA GLY A 29 7.121 -1.298 7.413 1.00 0.00 C ATOM 410 C GLY A 29 5.611 -1.195 7.498 1.00 0.00 C ATOM 411 O GLY A 29 4.914 -2.209 7.527 1.00 0.00 O ATOM 0 H GLY A 29 7.573 -0.543 5.512 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.396 -2.301 7.088 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.548 -1.156 8.406 1.00 0.00 H new ATOM 415 N ASP A 30 5.105 0.032 7.539 1.00 0.00 N ATOM 416 CA ASP A 30 3.667 0.264 7.622 1.00 0.00 C ATOM 417 C ASP A 30 2.916 -0.626 6.637 1.00 0.00 C ATOM 418 O ASP A 30 3.300 -0.744 5.473 1.00 0.00 O ATOM 419 CB ASP A 30 3.349 1.734 7.345 1.00 0.00 C ATOM 420 CG ASP A 30 3.564 2.612 8.562 1.00 0.00 C ATOM 421 OD1 ASP A 30 4.083 2.103 9.577 1.00 0.00 O ATOM 422 OD2 ASP A 30 3.213 3.809 8.499 1.00 0.00 O ATOM 0 H ASP A 30 5.669 0.882 7.516 1.00 0.00 H new ATOM 0 HA ASP A 30 3.341 0.014 8.632 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.976 2.091 6.528 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.314 1.823 7.015 1.00 0.00 H new ATOM 427 N VAL A 31 1.844 -1.252 7.111 1.00 0.00 N ATOM 428 CA VAL A 31 1.038 -2.132 6.273 1.00 0.00 C ATOM 429 C VAL A 31 -0.236 -1.434 5.809 1.00 0.00 C ATOM 430 O VAL A 31 -1.101 -1.097 6.618 1.00 0.00 O ATOM 431 CB VAL A 31 0.660 -3.426 7.018 1.00 0.00 C ATOM 432 CG1 VAL A 31 -0.380 -4.210 6.232 1.00 0.00 C ATOM 433 CG2 VAL A 31 1.896 -4.273 7.275 1.00 0.00 C ATOM 0 H VAL A 31 1.513 -1.166 8.072 1.00 0.00 H new ATOM 0 HA VAL A 31 1.646 -2.387 5.405 1.00 0.00 H new ATOM 0 HB VAL A 31 0.226 -3.157 7.981 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.635 -5.121 6.774 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.275 -3.601 6.105 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.024 -4.471 5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.610 -5.183 7.802 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.362 -4.535 6.325 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.604 -3.709 7.883 1.00 0.00 H new ATOM 443 N ILE A 32 -0.345 -1.221 4.502 1.00 0.00 N ATOM 444 CA ILE A 32 -1.514 -0.564 3.930 1.00 0.00 C ATOM 445 C ILE A 32 -2.522 -1.587 3.417 1.00 0.00 C ATOM 446 O ILE A 32 -2.161 -2.536 2.720 1.00 0.00 O ATOM 447 CB ILE A 32 -1.123 0.378 2.777 1.00 0.00 C ATOM 448 CG1 ILE A 32 -0.003 1.323 3.218 1.00 0.00 C ATOM 449 CG2 ILE A 32 -2.334 1.168 2.304 1.00 0.00 C ATOM 450 CD1 ILE A 32 0.897 1.764 2.085 1.00 0.00 C ATOM 0 H ILE A 32 0.362 -1.494 3.819 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.969 0.023 4.728 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.758 -0.224 1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.444 2.204 3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.600 0.828 3.979 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.041 1.829 1.489 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.104 0.480 1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.726 1.762 3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.667 2.432 2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.367 0.891 1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.306 2.288 1.334 1.00 0.00 H new ATOM 462 N LEU A 33 -3.788 -1.387 3.766 1.00 0.00 N ATOM 463 CA LEU A 33 -4.851 -2.291 3.339 1.00 0.00 C ATOM 464 C LEU A 33 -5.328 -1.944 1.932 1.00 0.00 C ATOM 465 O LEU A 33 -5.789 -0.831 1.678 1.00 0.00 O ATOM 466 CB LEU A 33 -6.025 -2.228 4.317 1.00 0.00 C ATOM 467 CG LEU A 33 -5.913 -3.115 5.558 1.00 0.00 C ATOM 468 CD1 LEU A 33 -5.225 -2.366 6.689 1.00 0.00 C ATOM 469 CD2 LEU A 33 -7.288 -3.598 5.994 1.00 0.00 C ATOM 0 H LEU A 33 -4.104 -0.607 4.343 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.450 -3.304 3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.145 -1.195 4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.934 -2.501 3.781 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.308 -3.986 5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.154 -3.013 7.564 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.224 -2.071 6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.803 -1.477 6.941 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.189 -4.228 6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.918 -2.740 6.228 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.744 -4.173 5.188 1.00 0.00 H new ATOM 481 N LEU A 34 -5.216 -2.905 1.022 1.00 0.00 N ATOM 482 CA LEU A 34 -5.638 -2.703 -0.360 1.00 0.00 C ATOM 483 C LEU A 34 -7.152 -2.539 -0.449 1.00 0.00 C ATOM 484 O LEU A 34 -7.896 -3.520 -0.422 1.00 0.00 O ATOM 485 CB LEU A 34 -5.190 -3.881 -1.228 1.00 0.00 C ATOM 486 CG LEU A 34 -3.682 -4.035 -1.422 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.323 -5.490 -1.681 1.00 0.00 C ATOM 488 CD2 LEU A 34 -3.198 -3.154 -2.565 1.00 0.00 C ATOM 0 H LEU A 34 -4.837 -3.832 1.216 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.170 -1.790 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.575 -4.800 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.654 -3.781 -2.209 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.183 -3.716 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.245 -5.580 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.634 -6.098 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.832 -5.836 -2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.122 -3.277 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.704 -3.442 -3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.421 -2.111 -2.340 1.00 0.00 H new ATOM 500 N ARG A 35 -7.602 -1.293 -0.556 1.00 0.00 N ATOM 501 CA ARG A 35 -9.027 -1.000 -0.649 1.00 0.00 C ATOM 502 C ARG A 35 -9.512 -1.117 -2.091 1.00 0.00 C ATOM 503 O ARG A 35 -10.537 -1.742 -2.363 1.00 0.00 O ATOM 504 CB ARG A 35 -9.317 0.404 -0.114 1.00 0.00 C ATOM 505 CG ARG A 35 -10.733 0.881 -0.392 1.00 0.00 C ATOM 506 CD ARG A 35 -11.718 0.322 0.622 1.00 0.00 C ATOM 507 NE ARG A 35 -13.070 0.228 0.077 1.00 0.00 N ATOM 508 CZ ARG A 35 -14.112 -0.219 0.770 1.00 0.00 C ATOM 509 NH1 ARG A 35 -13.958 -0.610 2.027 1.00 0.00 N ATOM 510 NH2 ARG A 35 -15.311 -0.275 0.205 1.00 0.00 N ATOM 0 H ARG A 35 -7.000 -0.470 -0.580 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.563 -1.730 -0.043 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.143 0.417 0.962 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.612 1.106 -0.559 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.763 1.970 -0.367 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.030 0.577 -1.396 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.387 -0.666 0.943 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.727 0.958 1.507 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.223 0.521 -0.888 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.038 -0.568 2.465 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.760 -0.953 2.556 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.434 0.025 -0.762 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.110 -0.618 0.738 1.00 0.00 H new ATOM 524 N ARG A 36 -8.769 -0.510 -3.011 1.00 0.00 N ATOM 525 CA ARG A 36 -9.125 -0.545 -4.425 1.00 0.00 C ATOM 526 C ARG A 36 -7.883 -0.722 -5.293 1.00 0.00 C ATOM 527 O ARG A 36 -7.037 0.168 -5.373 1.00 0.00 O ATOM 528 CB ARG A 36 -9.857 0.739 -4.820 1.00 0.00 C ATOM 529 CG ARG A 36 -10.594 0.636 -6.145 1.00 0.00 C ATOM 530 CD ARG A 36 -9.663 0.884 -7.321 1.00 0.00 C ATOM 531 NE ARG A 36 -10.393 1.265 -8.527 1.00 0.00 N ATOM 532 CZ ARG A 36 -11.009 0.394 -9.319 1.00 0.00 C ATOM 533 NH1 ARG A 36 -10.983 -0.901 -9.033 1.00 0.00 N ATOM 534 NH2 ARG A 36 -11.653 0.817 -10.399 1.00 0.00 N ATOM 0 H ARG A 36 -7.917 0.012 -2.803 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.786 -1.397 -4.587 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.570 0.997 -4.037 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.137 1.555 -4.877 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.043 -0.353 -6.237 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.409 1.359 -6.166 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.954 1.671 -7.063 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.081 -0.016 -7.519 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.432 2.254 -8.775 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.489 -1.230 -8.203 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.457 -1.568 -9.643 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.676 1.812 -10.622 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.125 0.147 -11.006 1.00 0.00 H new ATOM 548 N GLN A 37 -7.781 -1.878 -5.942 1.00 0.00 N ATOM 549 CA GLN A 37 -6.642 -2.172 -6.803 1.00 0.00 C ATOM 550 C GLN A 37 -6.883 -1.657 -8.219 1.00 0.00 C ATOM 551 O GLN A 37 -7.444 -2.361 -9.059 1.00 0.00 O ATOM 552 CB GLN A 37 -6.374 -3.678 -6.834 1.00 0.00 C ATOM 553 CG GLN A 37 -5.085 -4.052 -7.547 1.00 0.00 C ATOM 554 CD GLN A 37 -5.049 -5.510 -7.962 1.00 0.00 C ATOM 555 OE1 GLN A 37 -5.886 -6.308 -7.539 1.00 0.00 O ATOM 556 NE2 GLN A 37 -4.078 -5.865 -8.795 1.00 0.00 N ATOM 0 H GLN A 37 -8.473 -2.625 -5.888 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.769 -1.663 -6.394 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.336 -4.053 -5.811 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.209 -4.177 -7.325 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.967 -3.424 -8.430 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.239 -3.844 -6.893 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.406 -5.170 -9.120 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.004 -6.832 -9.110 1.00 0.00 H new ATOM 565 N LEU A 38 -6.455 -0.426 -8.475 1.00 0.00 N ATOM 566 CA LEU A 38 -6.624 0.184 -9.790 1.00 0.00 C ATOM 567 C LEU A 38 -6.017 -0.694 -10.880 1.00 0.00 C ATOM 568 O LEU A 38 -6.687 -1.051 -11.848 1.00 0.00 O ATOM 569 CB LEU A 38 -5.980 1.571 -9.817 1.00 0.00 C ATOM 570 CG LEU A 38 -6.483 2.565 -8.770 1.00 0.00 C ATOM 571 CD1 LEU A 38 -5.417 3.608 -8.470 1.00 0.00 C ATOM 572 CD2 LEU A 38 -7.767 3.232 -9.242 1.00 0.00 C ATOM 0 H LEU A 38 -5.989 0.169 -7.790 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.692 0.283 -9.983 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.904 1.453 -9.689 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.138 2.004 -10.805 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.697 2.019 -7.851 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.792 4.307 -7.723 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.523 3.115 -8.089 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.171 4.150 -9.383 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.111 3.936 -8.485 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.579 3.765 -10.174 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.532 2.473 -9.406 1.00 0.00 H new ATOM 584 N ASP A 39 -4.745 -1.038 -10.713 1.00 0.00 N ATOM 585 CA ASP A 39 -4.047 -1.877 -11.681 1.00 0.00 C ATOM 586 C ASP A 39 -2.883 -2.613 -11.024 1.00 0.00 C ATOM 587 O ASP A 39 -2.670 -2.503 -9.817 1.00 0.00 O ATOM 588 CB ASP A 39 -3.537 -1.030 -12.848 1.00 0.00 C ATOM 589 CG ASP A 39 -4.604 -0.790 -13.899 1.00 0.00 C ATOM 590 OD1 ASP A 39 -5.178 -1.780 -14.397 1.00 0.00 O ATOM 591 OD2 ASP A 39 -4.863 0.388 -14.223 1.00 0.00 O ATOM 0 H ASP A 39 -4.176 -0.749 -9.917 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.753 -2.616 -12.059 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.182 -0.072 -12.470 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.683 -1.527 -13.308 1.00 0.00 H new ATOM 596 N GLU A 40 -2.135 -3.363 -11.827 1.00 0.00 N ATOM 597 CA GLU A 40 -0.995 -4.118 -11.321 1.00 0.00 C ATOM 598 C GLU A 40 0.247 -3.235 -11.235 1.00 0.00 C ATOM 599 O GLU A 40 1.373 -3.731 -11.204 1.00 0.00 O ATOM 600 CB GLU A 40 -0.715 -5.325 -12.220 1.00 0.00 C ATOM 601 CG GLU A 40 -0.323 -4.949 -13.639 1.00 0.00 C ATOM 602 CD GLU A 40 -0.615 -6.053 -14.637 1.00 0.00 C ATOM 603 OE1 GLU A 40 0.157 -7.034 -14.678 1.00 0.00 O ATOM 604 OE2 GLU A 40 -1.615 -5.936 -15.375 1.00 0.00 O ATOM 0 H GLU A 40 -2.298 -3.464 -12.829 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.240 -4.469 -10.319 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.084 -5.920 -11.777 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.603 -5.957 -12.253 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.860 -4.047 -13.933 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.740 -4.711 -13.667 1.00 0.00 H new ATOM 611 N ASN A 41 0.033 -1.924 -11.198 1.00 0.00 N ATOM 612 CA ASN A 41 1.134 -0.971 -11.117 1.00 0.00 C ATOM 613 C ASN A 41 0.961 -0.040 -9.921 1.00 0.00 C ATOM 614 O ASN A 41 1.939 0.450 -9.357 1.00 0.00 O ATOM 615 CB ASN A 41 1.223 -0.152 -12.407 1.00 0.00 C ATOM 616 CG ASN A 41 1.398 -1.024 -13.635 1.00 0.00 C ATOM 617 OD1 ASN A 41 0.353 -1.764 -13.989 1.00 0.00 O flip ATOM 618 ND2 ASN A 41 2.460 -1.033 -14.258 1.00 0.00 N flip ATOM 0 H ASN A 41 -0.893 -1.497 -11.223 1.00 0.00 H new ATOM 0 HA ASN A 41 2.059 -1.533 -10.986 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.319 0.448 -12.516 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.060 0.543 -12.336 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.237 -0.448 -13.950 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.563 -1.625 -15.082 1.00 0.00 H new ATOM 625 N TRP A 42 -0.289 0.197 -9.540 1.00 0.00 N ATOM 626 CA TRP A 42 -0.590 1.069 -8.410 1.00 0.00 C ATOM 627 C TRP A 42 -1.593 0.412 -7.468 1.00 0.00 C ATOM 628 O TRP A 42 -2.249 -0.566 -7.828 1.00 0.00 O ATOM 629 CB TRP A 42 -1.139 2.408 -8.905 1.00 0.00 C ATOM 630 CG TRP A 42 -0.113 3.248 -9.604 1.00 0.00 C ATOM 631 CD1 TRP A 42 0.483 2.984 -10.804 1.00 0.00 C ATOM 632 CD2 TRP A 42 0.438 4.487 -9.144 1.00 0.00 C ATOM 633 NE1 TRP A 42 1.371 3.984 -11.118 1.00 0.00 N ATOM 634 CE2 TRP A 42 1.361 4.919 -10.116 1.00 0.00 C ATOM 635 CE3 TRP A 42 0.240 5.275 -8.007 1.00 0.00 C ATOM 636 CZ2 TRP A 42 2.084 6.101 -9.983 1.00 0.00 C ATOM 637 CZ3 TRP A 42 0.958 6.448 -7.876 1.00 0.00 C ATOM 638 CH2 TRP A 42 1.870 6.853 -8.860 1.00 0.00 C ATOM 0 H TRP A 42 -1.110 -0.202 -9.996 1.00 0.00 H new ATOM 0 HA TRP A 42 0.335 1.244 -7.861 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.971 2.223 -9.585 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.538 2.965 -8.057 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.285 2.117 -11.416 1.00 0.00 H new ATOM 0 HE1 TRP A 42 1.945 4.024 -11.960 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.462 4.972 -7.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.789 6.413 -10.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.814 7.063 -7.000 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.414 7.777 -8.729 1.00 0.00 H new ATOM 649 N TYR A 43 -1.706 0.954 -6.260 1.00 0.00 N ATOM 650 CA TYR A 43 -2.628 0.418 -5.266 1.00 0.00 C ATOM 651 C TYR A 43 -3.244 1.539 -4.434 1.00 0.00 C ATOM 652 O TYR A 43 -2.533 2.377 -3.880 1.00 0.00 O ATOM 653 CB TYR A 43 -1.905 -0.572 -4.351 1.00 0.00 C ATOM 654 CG TYR A 43 -1.390 -1.797 -5.072 1.00 0.00 C ATOM 655 CD1 TYR A 43 -2.163 -2.441 -6.030 1.00 0.00 C ATOM 656 CD2 TYR A 43 -0.128 -2.310 -4.797 1.00 0.00 C ATOM 657 CE1 TYR A 43 -1.696 -3.561 -6.691 1.00 0.00 C ATOM 658 CE2 TYR A 43 0.348 -3.428 -5.454 1.00 0.00 C ATOM 659 CZ TYR A 43 -0.440 -4.050 -6.399 1.00 0.00 C ATOM 660 OH TYR A 43 0.029 -5.165 -7.056 1.00 0.00 O ATOM 0 H TYR A 43 -1.171 1.764 -5.946 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.428 -0.101 -5.793 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.068 -0.065 -3.870 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.585 -0.886 -3.559 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.146 -2.060 -6.262 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.492 -1.826 -4.057 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.311 -4.050 -7.432 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.332 -3.813 -5.229 1.00 0.00 H new ATOM 0 HH TYR A 43 0.930 -5.379 -6.735 1.00 0.00 H new ATOM 670 N GLN A 44 -4.570 1.546 -4.352 1.00 0.00 N ATOM 671 CA GLN A 44 -5.283 2.563 -3.589 1.00 0.00 C ATOM 672 C GLN A 44 -5.787 1.997 -2.265 1.00 0.00 C ATOM 673 O GLN A 44 -6.701 1.174 -2.238 1.00 0.00 O ATOM 674 CB GLN A 44 -6.457 3.113 -4.401 1.00 0.00 C ATOM 675 CG GLN A 44 -7.197 4.247 -3.711 1.00 0.00 C ATOM 676 CD GLN A 44 -8.399 4.725 -4.501 1.00 0.00 C ATOM 677 OE1 GLN A 44 -8.333 4.884 -5.720 1.00 0.00 O ATOM 678 NE2 GLN A 44 -9.509 4.956 -3.808 1.00 0.00 N ATOM 0 H GLN A 44 -5.173 0.859 -4.805 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.587 3.374 -3.376 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.088 3.464 -5.365 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.158 2.304 -4.604 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.523 3.916 -2.725 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.513 5.082 -3.557 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.519 4.811 -2.798 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.351 5.278 -4.286 1.00 0.00 H new ATOM 687 N GLY A 45 -5.183 2.444 -1.168 1.00 0.00 N ATOM 688 CA GLY A 45 -5.584 1.971 0.144 1.00 0.00 C ATOM 689 C GLY A 45 -5.680 3.091 1.161 1.00 0.00 C ATOM 690 O GLY A 45 -5.783 4.262 0.795 1.00 0.00 O ATOM 0 H GLY A 45 -4.424 3.125 -1.165 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.549 1.471 0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.867 1.228 0.493 1.00 0.00 H new ATOM 694 N GLU A 46 -5.648 2.732 2.440 1.00 0.00 N ATOM 695 CA GLU A 46 -5.735 3.717 3.512 1.00 0.00 C ATOM 696 C GLU A 46 -4.945 3.262 4.735 1.00 0.00 C ATOM 697 O GLU A 46 -4.992 2.092 5.118 1.00 0.00 O ATOM 698 CB GLU A 46 -7.196 3.958 3.896 1.00 0.00 C ATOM 699 CG GLU A 46 -7.372 4.530 5.293 1.00 0.00 C ATOM 700 CD GLU A 46 -8.777 5.045 5.540 1.00 0.00 C ATOM 701 OE1 GLU A 46 -9.693 4.213 5.710 1.00 0.00 O ATOM 702 OE2 GLU A 46 -8.960 6.280 5.563 1.00 0.00 O ATOM 0 H GLU A 46 -5.563 1.767 2.759 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.304 4.650 3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.645 4.640 3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.741 3.017 3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.136 3.761 6.029 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.660 5.342 5.441 1.00 0.00 H new ATOM 709 N ILE A 47 -4.218 4.193 5.343 1.00 0.00 N ATOM 710 CA ILE A 47 -3.417 3.888 6.522 1.00 0.00 C ATOM 711 C ILE A 47 -3.593 4.956 7.597 1.00 0.00 C ATOM 712 O ILE A 47 -3.520 6.151 7.316 1.00 0.00 O ATOM 713 CB ILE A 47 -1.922 3.769 6.172 1.00 0.00 C ATOM 714 CG1 ILE A 47 -1.074 3.804 7.445 1.00 0.00 C ATOM 715 CG2 ILE A 47 -1.509 4.884 5.224 1.00 0.00 C ATOM 716 CD1 ILE A 47 0.290 3.171 7.280 1.00 0.00 C ATOM 0 H ILE A 47 -4.167 5.165 5.039 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.769 2.930 6.904 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.756 2.814 5.673 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.949 4.840 7.760 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.610 3.290 8.243 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.450 4.786 4.986 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.094 4.817 4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.686 5.849 5.698 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.836 3.232 8.222 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.174 2.125 6.995 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.845 3.699 6.505 1.00 0.00 H new ATOM 728 N ASN A 48 -3.823 4.515 8.829 1.00 0.00 N ATOM 729 CA ASN A 48 -4.008 5.433 9.948 1.00 0.00 C ATOM 730 C ASN A 48 -4.993 6.540 9.586 1.00 0.00 C ATOM 731 O ASN A 48 -4.761 7.712 9.878 1.00 0.00 O ATOM 732 CB ASN A 48 -2.667 6.043 10.360 1.00 0.00 C ATOM 733 CG ASN A 48 -1.763 5.039 11.049 1.00 0.00 C ATOM 734 OD1 ASN A 48 -2.170 4.368 11.998 1.00 0.00 O ATOM 735 ND2 ASN A 48 -0.527 4.932 10.573 1.00 0.00 N ATOM 0 H ASN A 48 -3.886 3.528 9.078 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.416 4.868 10.786 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.163 6.436 9.477 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.844 6.886 11.027 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.127 4.274 10.996 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.232 5.508 9.785 1.00 0.00 H new ATOM 742 N GLY A 49 -6.095 6.158 8.947 1.00 0.00 N ATOM 743 CA GLY A 49 -7.100 7.130 8.555 1.00 0.00 C ATOM 744 C GLY A 49 -6.615 8.055 7.457 1.00 0.00 C ATOM 745 O GLY A 49 -7.059 9.199 7.357 1.00 0.00 O ATOM 0 H GLY A 49 -6.310 5.194 8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.994 6.607 8.216 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.387 7.722 9.424 1.00 0.00 H new ATOM 749 N VAL A 50 -5.699 7.560 6.630 1.00 0.00 N ATOM 750 CA VAL A 50 -5.152 8.350 5.533 1.00 0.00 C ATOM 751 C VAL A 50 -5.309 7.625 4.202 1.00 0.00 C ATOM 752 O VAL A 50 -4.633 6.629 3.942 1.00 0.00 O ATOM 753 CB VAL A 50 -3.662 8.669 5.759 1.00 0.00 C ATOM 754 CG1 VAL A 50 -3.115 9.504 4.612 1.00 0.00 C ATOM 755 CG2 VAL A 50 -3.466 9.381 7.089 1.00 0.00 C ATOM 0 H VAL A 50 -5.320 6.615 6.699 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.715 9.283 5.504 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.108 7.731 5.790 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.061 9.720 4.789 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.221 8.952 3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.671 10.439 4.546 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.408 9.599 7.233 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.032 10.313 7.090 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.818 8.742 7.899 1.00 0.00 H new ATOM 765 N SER A 51 -6.206 8.131 3.361 1.00 0.00 N ATOM 766 CA SER A 51 -6.455 7.529 2.056 1.00 0.00 C ATOM 767 C SER A 51 -5.541 8.135 0.995 1.00 0.00 C ATOM 768 O SER A 51 -5.371 9.351 0.928 1.00 0.00 O ATOM 769 CB SER A 51 -7.918 7.719 1.654 1.00 0.00 C ATOM 770 OG SER A 51 -8.788 7.095 2.583 1.00 0.00 O ATOM 0 H SER A 51 -6.772 8.956 3.560 1.00 0.00 H new ATOM 0 HA SER A 51 -6.241 6.463 2.129 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.147 8.783 1.595 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.082 7.302 0.660 1.00 0.00 H new ATOM 0 HG SER A 51 -9.717 7.233 2.304 1.00 0.00 H new ATOM 776 N GLY A 52 -4.955 7.276 0.167 1.00 0.00 N ATOM 777 CA GLY A 52 -4.066 7.744 -0.880 1.00 0.00 C ATOM 778 C GLY A 52 -3.671 6.640 -1.842 1.00 0.00 C ATOM 779 O GLY A 52 -4.044 5.482 -1.654 1.00 0.00 O ATOM 0 H GLY A 52 -5.080 6.264 0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.553 8.547 -1.433 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.168 8.167 -0.428 1.00 0.00 H new ATOM 783 N ILE A 53 -2.915 7.000 -2.874 1.00 0.00 N ATOM 784 CA ILE A 53 -2.470 6.031 -3.868 1.00 0.00 C ATOM 785 C ILE A 53 -0.960 5.830 -3.802 1.00 0.00 C ATOM 786 O ILE A 53 -0.204 6.784 -3.618 1.00 0.00 O ATOM 787 CB ILE A 53 -2.857 6.469 -5.293 1.00 0.00 C ATOM 788 CG1 ILE A 53 -2.258 7.841 -5.609 1.00 0.00 C ATOM 789 CG2 ILE A 53 -4.370 6.498 -5.446 1.00 0.00 C ATOM 790 CD1 ILE A 53 -2.319 8.204 -7.076 1.00 0.00 C ATOM 0 H ILE A 53 -2.598 7.955 -3.043 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.969 5.090 -3.638 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.454 5.745 -6.001 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.787 8.601 -5.033 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.218 7.859 -5.282 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.627 6.809 -6.458 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.774 5.503 -5.259 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.795 7.202 -4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.877 9.189 -7.226 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.766 7.466 -7.657 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.358 8.219 -7.404 1.00 0.00 H new ATOM 802 N PHE A 54 -0.527 4.583 -3.956 1.00 0.00 N ATOM 803 CA PHE A 54 0.893 4.256 -3.915 1.00 0.00 C ATOM 804 C PHE A 54 1.229 3.162 -4.925 1.00 0.00 C ATOM 805 O PHE A 54 0.396 2.323 -5.269 1.00 0.00 O ATOM 806 CB PHE A 54 1.295 3.808 -2.509 1.00 0.00 C ATOM 807 CG PHE A 54 0.398 2.746 -1.939 1.00 0.00 C ATOM 808 CD1 PHE A 54 -0.814 3.082 -1.358 1.00 0.00 C ATOM 809 CD2 PHE A 54 0.768 1.411 -1.985 1.00 0.00 C ATOM 810 CE1 PHE A 54 -1.640 2.107 -0.833 1.00 0.00 C ATOM 811 CE2 PHE A 54 -0.054 0.431 -1.461 1.00 0.00 C ATOM 812 CZ PHE A 54 -1.260 0.780 -0.885 1.00 0.00 C ATOM 0 H PHE A 54 -1.140 3.782 -4.110 1.00 0.00 H new ATOM 0 HA PHE A 54 1.454 5.153 -4.177 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.318 3.433 -2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.289 4.672 -1.845 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.116 4.118 -1.315 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.709 1.133 -2.435 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.582 2.382 -0.382 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.246 -0.606 -1.502 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.905 0.016 -0.476 1.00 0.00 H new ATOM 822 N PRO A 55 2.478 3.171 -5.412 1.00 0.00 N ATOM 823 CA PRO A 55 2.954 2.187 -6.389 1.00 0.00 C ATOM 824 C PRO A 55 3.094 0.793 -5.787 1.00 0.00 C ATOM 825 O PRO A 55 2.978 0.616 -4.574 1.00 0.00 O ATOM 826 CB PRO A 55 4.324 2.731 -6.803 1.00 0.00 C ATOM 827 CG PRO A 55 4.771 3.551 -5.642 1.00 0.00 C ATOM 828 CD PRO A 55 3.523 4.142 -5.047 1.00 0.00 C ATOM 0 HA PRO A 55 2.258 2.069 -7.220 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.025 1.923 -7.010 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.254 3.332 -7.709 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.299 2.938 -4.912 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.460 4.333 -5.959 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.607 4.254 -3.966 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.313 5.131 -5.455 1.00 0.00 H new ATOM 836 N ALA A 56 3.343 -0.194 -6.641 1.00 0.00 N ATOM 837 CA ALA A 56 3.502 -1.571 -6.193 1.00 0.00 C ATOM 838 C ALA A 56 4.973 -1.916 -5.986 1.00 0.00 C ATOM 839 O ALA A 56 5.302 -2.923 -5.359 1.00 0.00 O ATOM 840 CB ALA A 56 2.869 -2.528 -7.192 1.00 0.00 C ATOM 0 H ALA A 56 3.439 -0.065 -7.648 1.00 0.00 H new ATOM 0 HA ALA A 56 2.994 -1.675 -5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.996 -3.553 -6.844 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.806 -2.305 -7.286 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.351 -2.412 -8.163 1.00 0.00 H new ATOM 846 N SER A 57 5.853 -1.075 -6.519 1.00 0.00 N ATOM 847 CA SER A 57 7.290 -1.293 -6.397 1.00 0.00 C ATOM 848 C SER A 57 7.802 -0.795 -5.049 1.00 0.00 C ATOM 849 O SER A 57 8.827 -1.261 -4.551 1.00 0.00 O ATOM 850 CB SER A 57 8.033 -0.586 -7.531 1.00 0.00 C ATOM 851 OG SER A 57 8.009 0.821 -7.357 1.00 0.00 O ATOM 0 H SER A 57 5.596 -0.236 -7.040 1.00 0.00 H new ATOM 0 HA SER A 57 7.477 -2.365 -6.464 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.065 -0.934 -7.566 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.577 -0.845 -8.486 1.00 0.00 H new ATOM 0 HG SER A 57 8.492 1.250 -8.094 1.00 0.00 H new ATOM 857 N SER A 58 7.081 0.155 -4.463 1.00 0.00 N ATOM 858 CA SER A 58 7.464 0.721 -3.175 1.00 0.00 C ATOM 859 C SER A 58 7.020 -0.186 -2.030 1.00 0.00 C ATOM 860 O SER A 58 7.574 -0.135 -0.932 1.00 0.00 O ATOM 861 CB SER A 58 6.853 2.113 -3.003 1.00 0.00 C ATOM 862 OG SER A 58 5.465 2.031 -2.730 1.00 0.00 O ATOM 0 H SER A 58 6.228 0.549 -4.860 1.00 0.00 H new ATOM 0 HA SER A 58 8.551 0.804 -3.151 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.356 2.636 -2.190 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.015 2.699 -3.908 1.00 0.00 H new ATOM 0 HG SER A 58 5.036 1.446 -3.389 1.00 0.00 H new ATOM 868 N VAL A 59 6.016 -1.015 -2.296 1.00 0.00 N ATOM 869 CA VAL A 59 5.497 -1.934 -1.290 1.00 0.00 C ATOM 870 C VAL A 59 5.529 -3.373 -1.792 1.00 0.00 C ATOM 871 O VAL A 59 5.770 -3.623 -2.973 1.00 0.00 O ATOM 872 CB VAL A 59 4.054 -1.573 -0.890 1.00 0.00 C ATOM 873 CG1 VAL A 59 4.000 -0.177 -0.290 1.00 0.00 C ATOM 874 CG2 VAL A 59 3.126 -1.683 -2.091 1.00 0.00 C ATOM 0 H VAL A 59 5.546 -1.069 -3.200 1.00 0.00 H new ATOM 0 HA VAL A 59 6.141 -1.843 -0.416 1.00 0.00 H new ATOM 0 HB VAL A 59 3.717 -2.281 -0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.973 0.061 -0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.633 -0.137 0.597 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.356 0.548 -1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.110 -1.425 -1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.459 -0.999 -2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.143 -2.704 -2.472 1.00 0.00 H new ATOM 884 N GLU A 60 5.284 -4.316 -0.887 1.00 0.00 N ATOM 885 CA GLU A 60 5.285 -5.731 -1.240 1.00 0.00 C ATOM 886 C GLU A 60 3.965 -6.390 -0.848 1.00 0.00 C ATOM 887 O GLU A 60 3.445 -6.163 0.245 1.00 0.00 O ATOM 888 CB GLU A 60 6.449 -6.449 -0.555 1.00 0.00 C ATOM 889 CG GLU A 60 7.726 -6.461 -1.379 1.00 0.00 C ATOM 890 CD GLU A 60 8.786 -7.378 -0.799 1.00 0.00 C ATOM 891 OE1 GLU A 60 8.727 -7.657 0.417 1.00 0.00 O ATOM 892 OE2 GLU A 60 9.673 -7.816 -1.561 1.00 0.00 O ATOM 0 H GLU A 60 5.083 -4.126 0.095 1.00 0.00 H new ATOM 0 HA GLU A 60 5.404 -5.810 -2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.649 -5.968 0.402 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.155 -7.477 -0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.495 -6.777 -2.396 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.123 -5.448 -1.442 1.00 0.00 H new ATOM 899 N VAL A 61 3.429 -7.208 -1.748 1.00 0.00 N ATOM 900 CA VAL A 61 2.171 -7.901 -1.497 1.00 0.00 C ATOM 901 C VAL A 61 2.400 -9.194 -0.721 1.00 0.00 C ATOM 902 O VAL A 61 1.511 -10.040 -0.629 1.00 0.00 O ATOM 903 CB VAL A 61 1.438 -8.228 -2.812 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.001 -8.642 -2.534 1.00 0.00 C ATOM 905 CG2 VAL A 61 1.485 -7.037 -3.757 1.00 0.00 C ATOM 0 H VAL A 61 3.846 -7.407 -2.657 1.00 0.00 H new ATOM 0 HA VAL A 61 1.553 -7.228 -0.902 1.00 0.00 H new ATOM 0 HB VAL A 61 1.945 -9.065 -3.292 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.501 -8.869 -3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.006 -9.526 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.521 -7.828 -2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.963 -7.285 -4.681 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.003 -6.180 -3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.523 -6.792 -3.982 1.00 0.00 H new ATOM 915 N ILE A 62 3.598 -9.338 -0.165 1.00 0.00 N ATOM 916 CA ILE A 62 3.944 -10.527 0.604 1.00 0.00 C ATOM 917 C ILE A 62 3.215 -10.547 1.943 1.00 0.00 C ATOM 918 O ILE A 62 3.141 -11.581 2.606 1.00 0.00 O ATOM 919 CB ILE A 62 5.461 -10.612 0.857 1.00 0.00 C ATOM 920 CG1 ILE A 62 5.932 -9.407 1.674 1.00 0.00 C ATOM 921 CG2 ILE A 62 6.214 -10.692 -0.462 1.00 0.00 C ATOM 922 CD1 ILE A 62 5.883 -9.633 3.169 1.00 0.00 C ATOM 0 H ILE A 62 4.345 -8.647 -0.233 1.00 0.00 H new ATOM 0 HA ILE A 62 3.634 -11.388 0.011 1.00 0.00 H new ATOM 0 HB ILE A 62 5.669 -11.517 1.427 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.954 -9.160 1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.313 -8.545 1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.285 -10.752 -0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.895 -11.579 -1.010 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.002 -9.803 -1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.231 -8.737 3.684 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.858 -9.850 3.471 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.524 -10.474 3.431 1.00 0.00 H new