USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 429 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 16 GLN : amide:sc= -1.57! C(o=-0.66!,f=-3.8!) USER MOD Set 1.2: A 21 CYS SG : rot -75:sc= 0.313 USER MOD Set 1.3: A 26 CYS SG : rot -172:sc= -0.334 USER MOD Set 1.4: A 28 ASN : amide:sc= -0.353 K(o=-0.66,f=-6!) USER MOD Set 1.5: A 31 CYS SG : rot -104:sc= 1.78 USER MOD Set 1.6: A 34 CYS SG : rot -141:sc= -0.887! USER MOD Set 1.7: A 60 CYS SG : rot 155:sc= 0.392 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HE2:sc= -0.285 K(o=-0.28,f=-1.1) USER MOD Single : A 13 TYR OH : rot 1:sc= 0.537 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 18 THR OG1 : rot -79:sc= 0.513 USER MOD Single : A 23 ASN : amide:sc= 0.0456 K(o=0.046,f=-1.9) USER MOD Single : A 27 THR OG1 : rot -40:sc= 0.483 USER MOD Single : A 33 SER OG : rot 102:sc= 0.449 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 40 MET CE :methyl 157:sc= -0.615 (180deg=-1.16) USER MOD Single : A 42 ASN : amide:sc= -1.12 K(o=-1.1,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.0589 K(o=-0.059,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0362) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 136:sc= -0.393 (180deg=-2.35!) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 145:sc= 0.633 (180deg=0.092) USER MOD ----------------------------------------------------------------- ATOM 64 N ALA A 4 5.376 8.665 -2.643 1.00 0.00 N ATOM 65 CA ALA A 4 5.311 10.134 -2.685 1.00 0.00 C ATOM 66 C ALA A 4 6.178 10.648 -3.839 1.00 0.00 C ATOM 67 O ALA A 4 5.730 11.469 -4.636 1.00 0.00 O ATOM 68 CB ALA A 4 5.761 10.741 -1.347 1.00 0.00 C ATOM 0 HA ALA A 4 4.278 10.441 -2.852 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.704 11.828 -1.403 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.110 10.384 -0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.788 10.442 -1.139 1.00 0.00 H new ATOM 74 N ALA A 5 7.409 10.107 -3.935 1.00 0.00 N ATOM 75 CA ALA A 5 8.364 10.452 -5.003 1.00 0.00 C ATOM 76 C ALA A 5 7.808 10.054 -6.379 1.00 0.00 C ATOM 77 O ALA A 5 7.874 10.840 -7.311 1.00 0.00 O ATOM 78 CB ALA A 5 9.724 9.777 -4.758 1.00 0.00 C ATOM 0 H ALA A 5 7.768 9.419 -3.273 1.00 0.00 H new ATOM 0 HA ALA A 5 8.510 11.532 -4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.413 10.046 -5.559 1.00 0.00 H new ATOM 0 HB2 ALA A 5 10.129 10.111 -3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.595 8.695 -4.738 1.00 0.00 H new ATOM 84 N ALA A 6 7.225 8.842 -6.455 1.00 0.00 N ATOM 85 CA ALA A 6 6.667 8.264 -7.696 1.00 0.00 C ATOM 86 C ALA A 6 5.463 9.085 -8.198 1.00 0.00 C ATOM 87 O ALA A 6 5.444 9.514 -9.350 1.00 0.00 O ATOM 88 CB ALA A 6 6.267 6.792 -7.466 1.00 0.00 C ATOM 0 H ALA A 6 7.126 8.228 -5.647 1.00 0.00 H new ATOM 0 HA ALA A 6 7.437 8.300 -8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.857 6.378 -8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.145 6.218 -7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.515 6.738 -6.679 1.00 0.00 H new ATOM 94 N LYS A 7 4.484 9.302 -7.294 1.00 0.00 N ATOM 95 CA LYS A 7 3.249 10.060 -7.582 1.00 0.00 C ATOM 96 C LYS A 7 3.561 11.482 -8.051 1.00 0.00 C ATOM 97 O LYS A 7 3.062 11.926 -9.088 1.00 0.00 O ATOM 98 CB LYS A 7 2.331 10.117 -6.324 1.00 0.00 C ATOM 99 CG LYS A 7 1.009 10.945 -6.433 1.00 0.00 C ATOM 100 CD LYS A 7 -0.098 10.302 -7.321 1.00 0.00 C ATOM 101 CE LYS A 7 0.103 10.493 -8.835 1.00 0.00 C ATOM 102 NZ LYS A 7 -1.011 9.916 -9.625 1.00 0.00 N ATOM 0 H LYS A 7 4.530 8.953 -6.337 1.00 0.00 H new ATOM 0 HA LYS A 7 2.729 9.537 -8.385 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.066 9.095 -6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.916 10.524 -5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.608 11.095 -5.431 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.247 11.931 -6.832 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.143 9.234 -7.106 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.062 10.725 -7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.191 11.557 -9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.040 10.026 -9.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.833 10.068 -10.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.080 8.896 -9.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.903 10.379 -9.357 1.00 0.00 H new ATOM 116 N HIS A 8 4.401 12.181 -7.269 1.00 0.00 N ATOM 117 CA HIS A 8 4.754 13.581 -7.540 1.00 0.00 C ATOM 118 C HIS A 8 5.643 13.697 -8.786 1.00 0.00 C ATOM 119 O HIS A 8 5.572 14.699 -9.459 1.00 0.00 O ATOM 120 CB HIS A 8 5.396 14.260 -6.301 1.00 0.00 C ATOM 121 CG HIS A 8 4.452 14.355 -5.124 1.00 0.00 C ATOM 122 ND1 HIS A 8 4.792 13.967 -3.849 1.00 0.00 N ATOM 123 CD2 HIS A 8 3.170 14.782 -5.047 1.00 0.00 C ATOM 124 CE1 HIS A 8 3.770 14.147 -3.046 1.00 0.00 C ATOM 125 NE2 HIS A 8 2.771 14.641 -3.744 1.00 0.00 N ATOM 0 H HIS A 8 4.850 11.794 -6.439 1.00 0.00 H new ATOM 0 HA HIS A 8 3.831 14.121 -7.750 1.00 0.00 H new ATOM 0 HB2 HIS A 8 6.282 13.699 -6.005 1.00 0.00 H new ATOM 0 HB3 HIS A 8 5.729 15.261 -6.574 1.00 0.00 H new ATOM 0 HD1 HIS A 8 5.700 13.596 -3.570 1.00 0.00 H new ATOM 0 HD2 HIS A 8 2.572 15.163 -5.862 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.752 13.926 -1.989 1.00 0.00 H new ATOM 134 N LEU A 9 6.436 12.648 -9.109 1.00 0.00 N ATOM 135 CA LEU A 9 7.266 12.605 -10.350 1.00 0.00 C ATOM 136 C LEU A 9 6.356 12.635 -11.589 1.00 0.00 C ATOM 137 O LEU A 9 6.540 13.462 -12.486 1.00 0.00 O ATOM 138 CB LEU A 9 8.209 11.344 -10.364 1.00 0.00 C ATOM 139 CG LEU A 9 9.747 11.623 -10.351 1.00 0.00 C ATOM 140 CD1 LEU A 9 10.219 12.213 -11.692 1.00 0.00 C ATOM 141 CD2 LEU A 9 10.132 12.541 -9.167 1.00 0.00 C ATOM 0 H LEU A 9 6.523 11.814 -8.528 1.00 0.00 H new ATOM 0 HA LEU A 9 7.908 13.486 -10.369 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.967 10.727 -9.498 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.977 10.754 -11.251 1.00 0.00 H new ATOM 0 HG LEU A 9 10.258 10.670 -10.215 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.293 12.396 -11.651 1.00 0.00 H new ATOM 0 HD12 LEU A 9 10.001 11.510 -12.496 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.698 13.152 -11.880 1.00 0.00 H new ATOM 0 HD21 LEU A 9 11.207 12.720 -9.180 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.605 13.491 -9.257 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.856 12.060 -8.229 1.00 0.00 H new ATOM 153 N ILE A 10 5.356 11.737 -11.578 1.00 0.00 N ATOM 154 CA ILE A 10 4.303 11.657 -12.607 1.00 0.00 C ATOM 155 C ILE A 10 3.533 12.993 -12.697 1.00 0.00 C ATOM 156 O ILE A 10 3.227 13.467 -13.790 1.00 0.00 O ATOM 157 CB ILE A 10 3.289 10.492 -12.281 1.00 0.00 C ATOM 158 CG1 ILE A 10 4.026 9.112 -12.214 1.00 0.00 C ATOM 159 CG2 ILE A 10 2.127 10.448 -13.308 1.00 0.00 C ATOM 160 CD1 ILE A 10 3.193 7.967 -11.652 1.00 0.00 C ATOM 0 H ILE A 10 5.254 11.036 -10.844 1.00 0.00 H new ATOM 0 HA ILE A 10 4.785 11.452 -13.563 1.00 0.00 H new ATOM 0 HB ILE A 10 2.857 10.696 -11.301 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.356 8.844 -13.218 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.922 9.224 -11.603 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.447 9.634 -13.054 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.585 11.394 -13.285 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.531 10.285 -14.307 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.788 7.054 -11.645 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.885 8.207 -10.634 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.310 7.820 -12.274 1.00 0.00 H new ATOM 172 N GLU A 11 3.248 13.575 -11.516 1.00 0.00 N ATOM 173 CA GLU A 11 2.532 14.857 -11.371 1.00 0.00 C ATOM 174 C GLU A 11 3.333 16.015 -11.982 1.00 0.00 C ATOM 175 O GLU A 11 2.749 16.926 -12.557 1.00 0.00 O ATOM 176 CB GLU A 11 2.256 15.132 -9.872 1.00 0.00 C ATOM 177 CG GLU A 11 1.618 16.502 -9.551 1.00 0.00 C ATOM 178 CD GLU A 11 1.553 16.785 -8.045 1.00 0.00 C ATOM 179 OE1 GLU A 11 2.608 17.082 -7.446 1.00 0.00 O ATOM 180 OE2 GLU A 11 0.458 16.687 -7.451 1.00 0.00 O ATOM 0 H GLU A 11 3.513 13.161 -10.622 1.00 0.00 H new ATOM 0 HA GLU A 11 1.587 14.785 -11.909 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.601 14.348 -9.492 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.197 15.053 -9.327 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.192 17.289 -10.040 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.611 16.536 -9.967 1.00 0.00 H new ATOM 187 N ARG A 12 4.672 15.960 -11.845 1.00 0.00 N ATOM 188 CA ARG A 12 5.574 16.997 -12.379 1.00 0.00 C ATOM 189 C ARG A 12 5.661 16.902 -13.906 1.00 0.00 C ATOM 190 O ARG A 12 5.757 17.925 -14.571 1.00 0.00 O ATOM 191 CB ARG A 12 6.991 16.909 -11.751 1.00 0.00 C ATOM 192 CG ARG A 12 7.053 17.208 -10.240 1.00 0.00 C ATOM 193 CD ARG A 12 8.487 17.459 -9.738 1.00 0.00 C ATOM 194 NE ARG A 12 9.415 16.359 -10.083 1.00 0.00 N ATOM 195 CZ ARG A 12 10.753 16.412 -9.939 1.00 0.00 C ATOM 196 NH1 ARG A 12 11.342 17.464 -9.392 1.00 0.00 N ATOM 197 NH2 ARG A 12 11.504 15.392 -10.319 1.00 0.00 N ATOM 0 H ARG A 12 5.155 15.201 -11.365 1.00 0.00 H new ATOM 0 HA ARG A 12 5.153 17.965 -12.108 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.388 15.909 -11.925 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.647 17.607 -12.272 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.439 18.082 -10.022 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.622 16.371 -9.691 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.859 18.390 -10.165 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.471 17.589 -8.656 1.00 0.00 H new ATOM 0 HE ARG A 12 9.013 15.499 -10.456 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.781 18.253 -9.071 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.357 17.485 -9.292 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.070 14.562 -10.723 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.517 15.436 -10.209 1.00 0.00 H new ATOM 211 N TYR A 13 5.623 15.661 -14.437 1.00 0.00 N ATOM 212 CA TYR A 13 5.585 15.412 -15.897 1.00 0.00 C ATOM 213 C TYR A 13 4.232 15.838 -16.493 1.00 0.00 C ATOM 214 O TYR A 13 4.186 16.404 -17.578 1.00 0.00 O ATOM 215 CB TYR A 13 5.858 13.919 -16.224 1.00 0.00 C ATOM 216 CG TYR A 13 7.326 13.491 -16.104 1.00 0.00 C ATOM 217 CD1 TYR A 13 8.315 14.076 -16.907 1.00 0.00 C ATOM 218 CD2 TYR A 13 7.726 12.499 -15.208 1.00 0.00 C ATOM 219 CE1 TYR A 13 9.631 13.678 -16.823 1.00 0.00 C ATOM 220 CE2 TYR A 13 9.038 12.101 -15.129 1.00 0.00 C ATOM 221 CZ TYR A 13 9.984 12.694 -15.929 1.00 0.00 C ATOM 222 OH TYR A 13 11.281 12.279 -15.841 1.00 0.00 O ATOM 0 H TYR A 13 5.618 14.811 -13.874 1.00 0.00 H new ATOM 0 HA TYR A 13 6.374 16.014 -16.348 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.258 13.300 -15.557 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.517 13.716 -17.239 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.040 14.853 -17.605 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.991 12.036 -14.566 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.379 14.135 -17.454 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.326 11.322 -14.438 1.00 0.00 H new ATOM 0 HH TYR A 13 11.831 12.788 -16.472 1.00 0.00 H new ATOM 232 N TYR A 14 3.146 15.568 -15.753 1.00 0.00 N ATOM 233 CA TYR A 14 1.774 15.917 -16.160 1.00 0.00 C ATOM 234 C TYR A 14 1.609 17.444 -16.178 1.00 0.00 C ATOM 235 O TYR A 14 1.061 18.001 -17.126 1.00 0.00 O ATOM 236 CB TYR A 14 0.741 15.259 -15.201 1.00 0.00 C ATOM 237 CG TYR A 14 -0.732 15.554 -15.557 1.00 0.00 C ATOM 238 CD1 TYR A 14 -1.366 14.896 -16.615 1.00 0.00 C ATOM 239 CD2 TYR A 14 -1.481 16.503 -14.844 1.00 0.00 C ATOM 240 CE1 TYR A 14 -2.681 15.167 -16.942 1.00 0.00 C ATOM 241 CE2 TYR A 14 -2.793 16.772 -15.173 1.00 0.00 C ATOM 242 CZ TYR A 14 -3.389 16.101 -16.219 1.00 0.00 C ATOM 243 OH TYR A 14 -4.702 16.363 -16.549 1.00 0.00 O ATOM 0 H TYR A 14 3.194 15.098 -14.849 1.00 0.00 H new ATOM 0 HA TYR A 14 1.592 15.536 -17.165 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.895 14.180 -15.205 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.934 15.605 -14.185 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.818 14.162 -17.187 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.021 17.032 -14.022 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.153 14.647 -17.763 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.352 17.507 -14.612 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.062 17.045 -15.944 1.00 0.00 H new ATOM 253 N HIS A 15 2.122 18.093 -15.116 1.00 0.00 N ATOM 254 CA HIS A 15 2.126 19.560 -14.964 1.00 0.00 C ATOM 255 C HIS A 15 3.005 20.210 -16.042 1.00 0.00 C ATOM 256 O HIS A 15 2.710 21.305 -16.505 1.00 0.00 O ATOM 257 CB HIS A 15 2.631 19.960 -13.550 1.00 0.00 C ATOM 258 CG HIS A 15 2.670 21.450 -13.303 1.00 0.00 C ATOM 259 ND1 HIS A 15 3.805 22.214 -13.473 1.00 0.00 N ATOM 260 CD2 HIS A 15 1.700 22.314 -12.915 1.00 0.00 C ATOM 261 CE1 HIS A 15 3.536 23.470 -13.202 1.00 0.00 C ATOM 262 NE2 HIS A 15 2.266 23.559 -12.861 1.00 0.00 N ATOM 0 H HIS A 15 2.551 17.606 -14.329 1.00 0.00 H new ATOM 0 HA HIS A 15 1.104 19.919 -15.084 1.00 0.00 H new ATOM 0 HB2 HIS A 15 1.988 19.496 -12.802 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.632 19.553 -13.406 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.673 22.066 -12.691 1.00 0.00 H new ATOM 0 HE1 HIS A 15 4.236 24.291 -13.250 1.00 0.00 H new ATOM 0 HE2 HIS A 15 1.782 24.418 -12.599 1.00 0.00 H new ATOM 271 N GLN A 16 4.088 19.505 -16.405 1.00 0.00 N ATOM 272 CA GLN A 16 5.024 19.905 -17.471 1.00 0.00 C ATOM 273 C GLN A 16 4.339 19.857 -18.851 1.00 0.00 C ATOM 274 O GLN A 16 4.638 20.664 -19.720 1.00 0.00 O ATOM 275 CB GLN A 16 6.257 18.968 -17.425 1.00 0.00 C ATOM 276 CG GLN A 16 7.289 19.108 -18.561 1.00 0.00 C ATOM 277 CD GLN A 16 8.397 18.054 -18.465 1.00 0.00 C ATOM 278 OE1 GLN A 16 8.779 17.652 -17.373 1.00 0.00 O ATOM 279 NE2 GLN A 16 8.893 17.574 -19.594 1.00 0.00 N ATOM 0 H GLN A 16 4.344 18.624 -15.958 1.00 0.00 H new ATOM 0 HA GLN A 16 5.346 20.934 -17.310 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.772 19.133 -16.478 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.899 17.938 -17.418 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.784 19.016 -19.523 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.732 20.103 -18.527 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.556 17.927 -20.490 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.612 16.851 -19.568 1.00 0.00 H new ATOM 288 N LEU A 17 3.415 18.913 -19.038 1.00 0.00 N ATOM 289 CA LEU A 17 2.678 18.760 -20.310 1.00 0.00 C ATOM 290 C LEU A 17 1.489 19.730 -20.404 1.00 0.00 C ATOM 291 O LEU A 17 1.192 20.232 -21.487 1.00 0.00 O ATOM 292 CB LEU A 17 2.202 17.299 -20.461 1.00 0.00 C ATOM 293 CG LEU A 17 3.347 16.250 -20.624 1.00 0.00 C ATOM 294 CD1 LEU A 17 2.812 14.811 -20.544 1.00 0.00 C ATOM 295 CD2 LEU A 17 4.135 16.482 -21.934 1.00 0.00 C ATOM 0 H LEU A 17 3.152 18.234 -18.323 1.00 0.00 H new ATOM 0 HA LEU A 17 3.357 19.006 -21.127 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.607 17.034 -19.587 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.543 17.234 -21.327 1.00 0.00 H new ATOM 0 HG LEU A 17 4.036 16.388 -19.791 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.637 14.109 -20.662 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.336 14.653 -19.576 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.082 14.649 -21.338 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.926 15.737 -22.020 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.460 16.395 -22.785 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.576 17.479 -21.922 1.00 0.00 H new ATOM 307 N THR A 18 0.821 19.990 -19.264 1.00 0.00 N ATOM 308 CA THR A 18 -0.415 20.796 -19.216 1.00 0.00 C ATOM 309 C THR A 18 -0.110 22.302 -19.120 1.00 0.00 C ATOM 310 O THR A 18 -0.481 23.068 -20.015 1.00 0.00 O ATOM 311 CB THR A 18 -1.337 20.333 -18.035 1.00 0.00 C ATOM 312 OG1 THR A 18 -0.601 20.344 -16.799 1.00 0.00 O ATOM 313 CG2 THR A 18 -1.896 18.918 -18.291 1.00 0.00 C ATOM 0 H THR A 18 1.122 19.648 -18.351 1.00 0.00 H new ATOM 0 HA THR A 18 -0.950 20.632 -20.152 1.00 0.00 H new ATOM 0 HB THR A 18 -2.173 21.029 -17.967 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.044 19.539 -16.743 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.532 18.622 -17.457 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.481 18.919 -19.211 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.071 18.213 -18.387 1.00 0.00 H new ATOM 321 N GLU A 19 0.579 22.712 -18.043 1.00 0.00 N ATOM 322 CA GLU A 19 0.939 24.128 -17.796 1.00 0.00 C ATOM 323 C GLU A 19 2.327 24.449 -18.371 1.00 0.00 C ATOM 324 O GLU A 19 2.579 25.557 -18.859 1.00 0.00 O ATOM 325 CB GLU A 19 0.904 24.407 -16.269 1.00 0.00 C ATOM 326 CG GLU A 19 -0.451 24.096 -15.599 1.00 0.00 C ATOM 327 CD GLU A 19 -1.632 24.869 -16.226 1.00 0.00 C ATOM 328 OE1 GLU A 19 -1.816 26.064 -15.906 1.00 0.00 O ATOM 329 OE2 GLU A 19 -2.379 24.289 -17.048 1.00 0.00 O ATOM 0 H GLU A 19 0.905 22.075 -17.316 1.00 0.00 H new ATOM 0 HA GLU A 19 0.216 24.771 -18.298 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.680 23.814 -15.785 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.149 25.455 -16.097 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.647 23.026 -15.670 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.389 24.339 -14.538 1.00 0.00 H new ATOM 336 N GLY A 20 3.220 23.454 -18.290 1.00 0.00 N ATOM 337 CA GLY A 20 4.597 23.592 -18.718 1.00 0.00 C ATOM 338 C GLY A 20 5.483 24.021 -17.577 1.00 0.00 C ATOM 339 O GLY A 20 5.733 23.255 -16.645 1.00 0.00 O ATOM 0 H GLY A 20 2.995 22.530 -17.922 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.952 22.643 -19.121 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.658 24.323 -19.524 1.00 0.00 H new ATOM 343 N CYS A 21 5.960 25.254 -17.679 1.00 0.00 N ATOM 344 CA CYS A 21 6.679 25.944 -16.605 1.00 0.00 C ATOM 345 C CYS A 21 6.470 27.467 -16.731 1.00 0.00 C ATOM 346 O CYS A 21 7.153 28.245 -16.063 1.00 0.00 O ATOM 347 CB CYS A 21 8.181 25.568 -16.636 1.00 0.00 C ATOM 348 SG CYS A 21 9.021 25.928 -18.210 1.00 0.00 S ATOM 0 H CYS A 21 5.859 25.817 -18.524 1.00 0.00 H new ATOM 0 HA CYS A 21 6.282 25.628 -15.640 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.692 26.103 -15.836 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.280 24.504 -16.422 1.00 0.00 H new ATOM 0 HG CYS A 21 8.674 25.046 -19.099 1.00 0.00 H new ATOM 353 N GLY A 22 5.504 27.885 -17.590 1.00 0.00 N ATOM 354 CA GLY A 22 5.179 29.305 -17.797 1.00 0.00 C ATOM 355 C GLY A 22 6.114 30.025 -18.774 1.00 0.00 C ATOM 356 O GLY A 22 5.658 30.790 -19.625 1.00 0.00 O ATOM 0 H GLY A 22 4.938 27.247 -18.150 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.156 29.382 -18.166 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.211 29.818 -16.836 1.00 0.00 H new ATOM 360 N ASN A 23 7.429 29.786 -18.623 1.00 0.00 N ATOM 361 CA ASN A 23 8.483 30.442 -19.415 1.00 0.00 C ATOM 362 C ASN A 23 8.477 29.973 -20.885 1.00 0.00 C ATOM 363 O ASN A 23 8.389 28.762 -21.166 1.00 0.00 O ATOM 364 CB ASN A 23 9.868 30.154 -18.775 1.00 0.00 C ATOM 365 CG ASN A 23 11.040 30.844 -19.484 1.00 0.00 C ATOM 366 OD1 ASN A 23 10.899 31.925 -20.055 1.00 0.00 O ATOM 367 ND2 ASN A 23 12.205 30.223 -19.457 1.00 0.00 N ATOM 0 H ASN A 23 7.793 29.123 -17.939 1.00 0.00 H new ATOM 0 HA ASN A 23 8.285 31.514 -19.412 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.848 30.473 -17.733 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.040 29.078 -18.775 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.015 30.639 -19.917 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.295 29.328 -18.977 1.00 0.00 H new ATOM 374 N GLU A 24 8.588 30.957 -21.800 1.00 0.00 N ATOM 375 CA GLU A 24 8.700 30.726 -23.254 1.00 0.00 C ATOM 376 C GLU A 24 10.126 30.291 -23.645 1.00 0.00 C ATOM 377 O GLU A 24 10.302 29.481 -24.565 1.00 0.00 O ATOM 378 CB GLU A 24 8.294 32.010 -24.034 1.00 0.00 C ATOM 379 CG GLU A 24 9.076 33.290 -23.661 1.00 0.00 C ATOM 380 CD GLU A 24 8.731 34.490 -24.563 1.00 0.00 C ATOM 381 OE1 GLU A 24 7.613 35.036 -24.447 1.00 0.00 O ATOM 382 OE2 GLU A 24 9.580 34.892 -25.396 1.00 0.00 O ATOM 0 H GLU A 24 8.603 31.945 -21.547 1.00 0.00 H new ATOM 0 HA GLU A 24 8.019 29.917 -23.520 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.424 31.823 -25.100 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.232 32.193 -23.870 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.864 33.549 -22.624 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.145 33.088 -23.727 1.00 0.00 H new ATOM 389 N ALA A 25 11.129 30.843 -22.932 1.00 0.00 N ATOM 390 CA ALA A 25 12.564 30.562 -23.158 1.00 0.00 C ATOM 391 C ALA A 25 12.963 29.239 -22.466 1.00 0.00 C ATOM 392 O ALA A 25 13.813 29.204 -21.559 1.00 0.00 O ATOM 393 CB ALA A 25 13.405 31.751 -22.656 1.00 0.00 C ATOM 0 H ALA A 25 10.964 31.505 -22.173 1.00 0.00 H new ATOM 0 HA ALA A 25 12.755 30.440 -24.224 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.462 31.545 -22.822 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.121 32.652 -23.199 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.227 31.898 -21.591 1.00 0.00 H new ATOM 399 N CYS A 26 12.321 28.154 -22.910 1.00 0.00 N ATOM 400 CA CYS A 26 12.441 26.820 -22.313 1.00 0.00 C ATOM 401 C CYS A 26 12.972 25.819 -23.350 1.00 0.00 C ATOM 402 O CYS A 26 12.398 25.676 -24.435 1.00 0.00 O ATOM 403 CB CYS A 26 11.066 26.368 -21.778 1.00 0.00 C ATOM 404 SG CYS A 26 11.007 24.622 -21.282 1.00 0.00 S ATOM 0 H CYS A 26 11.690 28.179 -23.711 1.00 0.00 H new ATOM 0 HA CYS A 26 13.148 26.859 -21.484 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.798 26.988 -20.922 1.00 0.00 H new ATOM 0 HB3 CYS A 26 10.313 26.543 -22.546 1.00 0.00 H new ATOM 0 HG CYS A 26 9.782 24.293 -20.998 1.00 0.00 H new ATOM 409 N THR A 27 14.065 25.119 -22.992 1.00 0.00 N ATOM 410 CA THR A 27 14.737 24.138 -23.870 1.00 0.00 C ATOM 411 C THR A 27 14.168 22.705 -23.644 1.00 0.00 C ATOM 412 O THR A 27 14.887 21.703 -23.738 1.00 0.00 O ATOM 413 CB THR A 27 16.304 24.200 -23.660 1.00 0.00 C ATOM 414 OG1 THR A 27 16.975 23.340 -24.596 1.00 0.00 O ATOM 415 CG2 THR A 27 16.731 23.840 -22.219 1.00 0.00 C ATOM 0 H THR A 27 14.511 25.218 -22.080 1.00 0.00 H new ATOM 0 HA THR A 27 14.534 24.396 -24.909 1.00 0.00 H new ATOM 0 HB THR A 27 16.598 25.235 -23.837 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.466 22.509 -24.700 1.00 0.00 H new ATOM 0 HG21 THR A 27 17.816 23.900 -22.135 1.00 0.00 H new ATOM 0 HG22 THR A 27 16.274 24.539 -21.519 1.00 0.00 H new ATOM 0 HG23 THR A 27 16.404 22.827 -21.985 1.00 0.00 H new ATOM 423 N ASN A 28 12.844 22.612 -23.413 1.00 0.00 N ATOM 424 CA ASN A 28 12.144 21.333 -23.176 1.00 0.00 C ATOM 425 C ASN A 28 10.947 21.229 -24.149 1.00 0.00 C ATOM 426 O ASN A 28 9.997 22.009 -24.056 1.00 0.00 O ATOM 427 CB ASN A 28 11.689 21.247 -21.684 1.00 0.00 C ATOM 428 CG ASN A 28 11.146 19.867 -21.245 1.00 0.00 C ATOM 429 OD1 ASN A 28 10.581 19.112 -22.026 1.00 0.00 O ATOM 430 ND2 ASN A 28 11.314 19.534 -19.974 1.00 0.00 N ATOM 0 H ASN A 28 12.227 23.424 -23.385 1.00 0.00 H new ATOM 0 HA ASN A 28 12.813 20.493 -23.363 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.534 21.508 -21.047 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.916 21.996 -21.512 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.970 18.636 -19.632 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.787 20.175 -19.337 1.00 0.00 H new ATOM 437 N GLU A 29 11.031 20.266 -25.087 1.00 0.00 N ATOM 438 CA GLU A 29 10.014 20.041 -26.143 1.00 0.00 C ATOM 439 C GLU A 29 8.773 19.294 -25.608 1.00 0.00 C ATOM 440 O GLU A 29 7.703 19.346 -26.219 1.00 0.00 O ATOM 441 CB GLU A 29 10.656 19.262 -27.325 1.00 0.00 C ATOM 442 CG GLU A 29 11.304 17.917 -26.926 1.00 0.00 C ATOM 443 CD GLU A 29 12.009 17.206 -28.091 1.00 0.00 C ATOM 444 OE1 GLU A 29 13.046 17.719 -28.571 1.00 0.00 O ATOM 445 OE2 GLU A 29 11.534 16.143 -28.548 1.00 0.00 O ATOM 0 H GLU A 29 11.813 19.613 -25.137 1.00 0.00 H new ATOM 0 HA GLU A 29 9.669 21.015 -26.491 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.891 19.074 -28.078 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.413 19.892 -27.791 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.026 18.093 -26.128 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.535 17.259 -26.521 1.00 0.00 H new ATOM 452 N PHE A 30 8.929 18.613 -24.459 1.00 0.00 N ATOM 453 CA PHE A 30 7.837 17.883 -23.772 1.00 0.00 C ATOM 454 C PHE A 30 7.178 18.804 -22.725 1.00 0.00 C ATOM 455 O PHE A 30 6.769 18.351 -21.653 1.00 0.00 O ATOM 456 CB PHE A 30 8.418 16.614 -23.084 1.00 0.00 C ATOM 457 CG PHE A 30 9.134 15.658 -24.038 1.00 0.00 C ATOM 458 CD1 PHE A 30 8.410 14.804 -24.872 1.00 0.00 C ATOM 459 CD2 PHE A 30 10.529 15.620 -24.108 1.00 0.00 C ATOM 460 CE1 PHE A 30 9.054 13.942 -25.737 1.00 0.00 C ATOM 461 CE2 PHE A 30 11.171 14.754 -24.974 1.00 0.00 C ATOM 462 CZ PHE A 30 10.433 13.917 -25.789 1.00 0.00 C ATOM 0 H PHE A 30 9.823 18.550 -23.973 1.00 0.00 H new ATOM 0 HA PHE A 30 7.083 17.580 -24.498 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.116 16.923 -22.306 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.607 16.078 -22.591 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.331 14.818 -24.840 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.113 16.275 -23.478 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.478 13.287 -26.374 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.250 14.732 -25.013 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.935 13.243 -26.467 1.00 0.00 H new ATOM 472 N CYS A 31 7.037 20.093 -23.057 1.00 0.00 N ATOM 473 CA CYS A 31 6.667 21.124 -22.077 1.00 0.00 C ATOM 474 C CYS A 31 5.760 22.178 -22.694 1.00 0.00 C ATOM 475 O CYS A 31 6.149 22.818 -23.661 1.00 0.00 O ATOM 476 CB CYS A 31 7.935 21.804 -21.555 1.00 0.00 C ATOM 477 SG CYS A 31 7.651 23.113 -20.338 1.00 0.00 S ATOM 0 H CYS A 31 7.174 20.449 -24.003 1.00 0.00 H new ATOM 0 HA CYS A 31 6.128 20.639 -21.263 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.579 21.046 -21.109 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.478 22.226 -22.401 1.00 0.00 H new ATOM 0 HG CYS A 31 7.802 24.273 -20.905 1.00 0.00 H new ATOM 482 N ALA A 32 4.567 22.366 -22.106 1.00 0.00 N ATOM 483 CA ALA A 32 3.614 23.420 -22.510 1.00 0.00 C ATOM 484 C ALA A 32 4.197 24.822 -22.256 1.00 0.00 C ATOM 485 O ALA A 32 5.188 24.971 -21.519 1.00 0.00 O ATOM 486 CB ALA A 32 2.281 23.226 -21.779 1.00 0.00 C ATOM 0 H ALA A 32 4.233 21.790 -21.333 1.00 0.00 H new ATOM 0 HA ALA A 32 3.434 23.337 -23.582 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.583 24.007 -22.082 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.866 22.250 -22.032 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.445 23.283 -20.703 1.00 0.00 H new ATOM 492 N SER A 33 3.593 25.838 -22.915 1.00 0.00 N ATOM 493 CA SER A 33 4.086 27.236 -22.917 1.00 0.00 C ATOM 494 C SER A 33 5.462 27.367 -23.632 1.00 0.00 C ATOM 495 O SER A 33 6.086 28.431 -23.586 1.00 0.00 O ATOM 496 CB SER A 33 4.132 27.833 -21.475 1.00 0.00 C ATOM 497 OG SER A 33 2.854 27.793 -20.855 1.00 0.00 O ATOM 0 H SER A 33 2.743 25.710 -23.465 1.00 0.00 H new ATOM 0 HA SER A 33 3.369 27.824 -23.491 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.848 27.275 -20.872 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.485 28.863 -21.517 1.00 0.00 H new ATOM 0 HG SER A 33 2.822 27.048 -20.219 1.00 0.00 H new ATOM 503 N CYS A 34 5.930 26.275 -24.291 1.00 0.00 N ATOM 504 CA CYS A 34 7.128 26.283 -25.143 1.00 0.00 C ATOM 505 C CYS A 34 6.685 26.104 -26.617 1.00 0.00 C ATOM 506 O CYS A 34 5.758 25.320 -26.884 1.00 0.00 O ATOM 507 CB CYS A 34 8.067 25.140 -24.698 1.00 0.00 C ATOM 508 SG CYS A 34 8.296 25.069 -22.903 1.00 0.00 S ATOM 0 H CYS A 34 5.477 25.363 -24.240 1.00 0.00 H new ATOM 0 HA CYS A 34 7.668 27.226 -25.051 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.662 24.189 -25.045 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.038 25.267 -25.178 1.00 0.00 H new ATOM 0 HG CYS A 34 9.531 24.765 -22.635 1.00 0.00 H new ATOM 514 N PRO A 35 7.327 26.820 -27.600 1.00 0.00 N ATOM 515 CA PRO A 35 6.969 26.710 -29.047 1.00 0.00 C ATOM 516 C PRO A 35 7.356 25.343 -29.651 1.00 0.00 C ATOM 517 O PRO A 35 6.906 24.981 -30.739 1.00 0.00 O ATOM 518 CB PRO A 35 7.775 27.868 -29.696 1.00 0.00 C ATOM 519 CG PRO A 35 8.965 28.023 -28.800 1.00 0.00 C ATOM 520 CD PRO A 35 8.452 27.780 -27.396 1.00 0.00 C ATOM 0 HA PRO A 35 5.895 26.781 -29.216 1.00 0.00 H new ATOM 0 HB2 PRO A 35 8.072 27.626 -30.716 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.188 28.785 -29.744 1.00 0.00 H new ATOM 0 HG2 PRO A 35 9.747 27.310 -29.060 1.00 0.00 H new ATOM 0 HG3 PRO A 35 9.398 29.019 -28.892 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.226 27.361 -26.752 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.112 28.703 -26.927 1.00 0.00 H new ATOM 528 N THR A 36 8.194 24.595 -28.918 1.00 0.00 N ATOM 529 CA THR A 36 8.681 23.263 -29.307 1.00 0.00 C ATOM 530 C THR A 36 7.736 22.141 -28.819 1.00 0.00 C ATOM 531 O THR A 36 8.076 20.955 -28.913 1.00 0.00 O ATOM 532 CB THR A 36 10.124 23.061 -28.730 1.00 0.00 C ATOM 533 OG1 THR A 36 10.114 23.284 -27.310 1.00 0.00 O ATOM 534 CG2 THR A 36 11.137 24.024 -29.383 1.00 0.00 C ATOM 0 H THR A 36 8.560 24.906 -28.018 1.00 0.00 H new ATOM 0 HA THR A 36 8.706 23.204 -30.395 1.00 0.00 H new ATOM 0 HB THR A 36 10.429 22.038 -28.951 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.017 23.155 -26.952 1.00 0.00 H new ATOM 0 HG21 THR A 36 12.126 23.855 -28.958 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.168 23.845 -30.458 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.833 25.054 -29.195 1.00 0.00 H new ATOM 542 N PHE A 37 6.532 22.524 -28.330 1.00 0.00 N ATOM 543 CA PHE A 37 5.521 21.578 -27.816 1.00 0.00 C ATOM 544 C PHE A 37 4.290 21.544 -28.733 1.00 0.00 C ATOM 545 O PHE A 37 3.753 22.599 -29.090 1.00 0.00 O ATOM 546 CB PHE A 37 5.089 21.994 -26.397 1.00 0.00 C ATOM 547 CG PHE A 37 4.089 21.051 -25.718 1.00 0.00 C ATOM 548 CD1 PHE A 37 4.486 19.780 -25.306 1.00 0.00 C ATOM 549 CD2 PHE A 37 2.769 21.440 -25.477 1.00 0.00 C ATOM 550 CE1 PHE A 37 3.601 18.933 -24.674 1.00 0.00 C ATOM 551 CE2 PHE A 37 1.883 20.590 -24.846 1.00 0.00 C ATOM 552 CZ PHE A 37 2.299 19.334 -24.444 1.00 0.00 C ATOM 0 H PHE A 37 6.237 23.499 -28.282 1.00 0.00 H new ATOM 0 HA PHE A 37 5.966 20.583 -27.789 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.978 22.068 -25.771 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.650 22.990 -26.445 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.500 19.455 -25.484 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.437 22.419 -25.789 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.926 17.953 -24.358 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.866 20.906 -24.666 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.607 18.667 -23.951 1.00 0.00 H new ATOM 562 N LEU A 38 3.842 20.326 -29.079 1.00 0.00 N ATOM 563 CA LEU A 38 2.570 20.099 -29.783 1.00 0.00 C ATOM 564 C LEU A 38 1.491 19.898 -28.700 1.00 0.00 C ATOM 565 O LEU A 38 1.661 19.064 -27.803 1.00 0.00 O ATOM 566 CB LEU A 38 2.698 18.850 -30.724 1.00 0.00 C ATOM 567 CG LEU A 38 1.764 18.793 -31.987 1.00 0.00 C ATOM 568 CD1 LEU A 38 2.109 17.577 -32.875 1.00 0.00 C ATOM 569 CD2 LEU A 38 0.260 18.792 -31.626 1.00 0.00 C ATOM 0 H LEU A 38 4.355 19.468 -28.877 1.00 0.00 H new ATOM 0 HA LEU A 38 2.301 20.943 -30.418 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.731 18.792 -31.067 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.510 17.958 -30.126 1.00 0.00 H new ATOM 0 HG LEU A 38 1.952 19.708 -32.549 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.449 17.561 -33.742 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.144 17.652 -33.209 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.978 16.659 -32.302 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.333 18.752 -32.539 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.035 17.923 -31.008 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.017 19.701 -31.076 1.00 0.00 H new ATOM 581 N ARG A 39 0.410 20.687 -28.784 1.00 0.00 N ATOM 582 CA ARG A 39 -0.696 20.673 -27.803 1.00 0.00 C ATOM 583 C ARG A 39 -1.472 19.343 -27.854 1.00 0.00 C ATOM 584 O ARG A 39 -1.543 18.680 -28.895 1.00 0.00 O ATOM 585 CB ARG A 39 -1.646 21.893 -28.023 1.00 0.00 C ATOM 586 CG ARG A 39 -1.167 23.232 -27.404 1.00 0.00 C ATOM 587 CD ARG A 39 0.255 23.647 -27.821 1.00 0.00 C ATOM 588 NE ARG A 39 0.595 24.975 -27.282 1.00 0.00 N ATOM 589 CZ ARG A 39 1.829 25.478 -27.121 1.00 0.00 C ATOM 590 NH1 ARG A 39 2.914 24.790 -27.466 1.00 0.00 N ATOM 591 NH2 ARG A 39 1.966 26.687 -26.598 1.00 0.00 N ATOM 0 H ARG A 39 0.273 21.359 -29.539 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.263 20.759 -26.806 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.782 22.037 -29.095 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.624 21.650 -27.607 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.862 24.021 -27.690 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.206 23.152 -26.318 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.973 22.910 -27.462 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.330 23.662 -28.908 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.184 25.571 -27.004 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.820 23.856 -27.864 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.840 25.197 -27.333 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.141 27.221 -26.324 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.897 27.084 -26.469 1.00 0.00 H new ATOM 605 N MET A 40 -2.068 18.984 -26.713 1.00 0.00 N ATOM 606 CA MET A 40 -2.620 17.636 -26.464 1.00 0.00 C ATOM 607 C MET A 40 -3.968 17.708 -25.718 1.00 0.00 C ATOM 608 O MET A 40 -4.421 18.791 -25.334 1.00 0.00 O ATOM 609 CB MET A 40 -1.571 16.814 -25.642 1.00 0.00 C ATOM 610 CG MET A 40 -1.044 17.536 -24.386 1.00 0.00 C ATOM 611 SD MET A 40 -2.344 17.865 -23.171 1.00 0.00 S ATOM 612 CE MET A 40 -1.718 19.300 -22.322 1.00 0.00 C ATOM 0 H MET A 40 -2.185 19.622 -25.925 1.00 0.00 H new ATOM 0 HA MET A 40 -2.812 17.144 -27.417 1.00 0.00 H new ATOM 0 HB2 MET A 40 -2.022 15.869 -25.341 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.728 16.573 -26.289 1.00 0.00 H new ATOM 0 HG2 MET A 40 -0.265 16.930 -23.923 1.00 0.00 H new ATOM 0 HG3 MET A 40 -0.581 18.478 -24.681 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.545 19.840 -21.861 1.00 0.00 H new ATOM 0 HE2 MET A 40 -1.014 18.988 -21.551 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.211 19.952 -23.034 1.00 0.00 H new ATOM 622 N ASP A 41 -4.587 16.533 -25.520 1.00 0.00 N ATOM 623 CA ASP A 41 -5.754 16.365 -24.632 1.00 0.00 C ATOM 624 C ASP A 41 -5.244 15.986 -23.231 1.00 0.00 C ATOM 625 O ASP A 41 -4.117 15.510 -23.115 1.00 0.00 O ATOM 626 CB ASP A 41 -6.686 15.266 -25.216 1.00 0.00 C ATOM 627 CG ASP A 41 -7.979 15.054 -24.410 1.00 0.00 C ATOM 628 OD1 ASP A 41 -8.929 15.851 -24.570 1.00 0.00 O ATOM 629 OD2 ASP A 41 -8.047 14.112 -23.603 1.00 0.00 O ATOM 0 H ASP A 41 -4.292 15.668 -25.972 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.329 17.288 -24.559 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.947 15.531 -26.240 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.138 14.325 -25.260 1.00 0.00 H new ATOM 634 N ASN A 42 -6.071 16.193 -22.182 1.00 0.00 N ATOM 635 CA ASN A 42 -5.694 15.874 -20.778 1.00 0.00 C ATOM 636 C ASN A 42 -5.394 14.369 -20.597 1.00 0.00 C ATOM 637 O ASN A 42 -4.488 14.004 -19.839 1.00 0.00 O ATOM 638 CB ASN A 42 -6.799 16.338 -19.780 1.00 0.00 C ATOM 639 CG ASN A 42 -6.858 17.856 -19.543 1.00 0.00 C ATOM 640 OD1 ASN A 42 -7.243 18.300 -18.460 1.00 0.00 O ATOM 641 ND2 ASN A 42 -6.509 18.660 -20.540 1.00 0.00 N ATOM 0 H ASN A 42 -7.009 16.581 -22.278 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.780 16.424 -20.556 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.768 16.005 -20.152 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.637 15.841 -18.823 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.556 19.672 -20.420 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.194 18.266 -21.426 1.00 0.00 H new ATOM 648 N ASN A 43 -6.158 13.516 -21.306 1.00 0.00 N ATOM 649 CA ASN A 43 -5.936 12.055 -21.329 1.00 0.00 C ATOM 650 C ASN A 43 -4.589 11.727 -21.994 1.00 0.00 C ATOM 651 O ASN A 43 -3.859 10.859 -21.519 1.00 0.00 O ATOM 652 CB ASN A 43 -7.094 11.315 -22.067 1.00 0.00 C ATOM 653 CG ASN A 43 -8.453 11.433 -21.364 1.00 0.00 C ATOM 654 OD1 ASN A 43 -8.760 12.447 -20.745 1.00 0.00 O ATOM 655 ND2 ASN A 43 -9.272 10.394 -21.442 1.00 0.00 N ATOM 0 H ASN A 43 -6.946 13.819 -21.879 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.917 11.706 -20.297 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.182 11.715 -23.077 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.836 10.260 -22.163 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.181 10.426 -20.981 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.993 9.563 -21.963 1.00 0.00 H new ATOM 662 N ALA A 44 -4.272 12.455 -23.087 1.00 0.00 N ATOM 663 CA ALA A 44 -2.988 12.316 -23.813 1.00 0.00 C ATOM 664 C ALA A 44 -1.807 12.766 -22.930 1.00 0.00 C ATOM 665 O ALA A 44 -0.730 12.171 -22.981 1.00 0.00 O ATOM 666 CB ALA A 44 -3.025 13.111 -25.133 1.00 0.00 C ATOM 0 H ALA A 44 -4.896 13.154 -23.491 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.842 11.263 -24.054 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.074 12.997 -25.653 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.830 12.733 -25.763 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.197 14.166 -24.918 1.00 0.00 H new ATOM 672 N ALA A 45 -2.052 13.802 -22.109 1.00 0.00 N ATOM 673 CA ALA A 45 -1.073 14.345 -21.149 1.00 0.00 C ATOM 674 C ALA A 45 -0.844 13.364 -19.991 1.00 0.00 C ATOM 675 O ALA A 45 0.255 13.277 -19.471 1.00 0.00 O ATOM 676 CB ALA A 45 -1.548 15.705 -20.612 1.00 0.00 C ATOM 0 H ALA A 45 -2.946 14.292 -22.093 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.126 14.486 -21.670 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.815 16.093 -19.905 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.659 16.405 -21.440 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.508 15.583 -20.110 1.00 0.00 H new ATOM 682 N ALA A 46 -1.908 12.636 -19.598 1.00 0.00 N ATOM 683 CA ALA A 46 -1.840 11.615 -18.533 1.00 0.00 C ATOM 684 C ALA A 46 -0.993 10.417 -18.994 1.00 0.00 C ATOM 685 O ALA A 46 -0.073 9.986 -18.289 1.00 0.00 O ATOM 686 CB ALA A 46 -3.258 11.179 -18.124 1.00 0.00 C ATOM 0 H ALA A 46 -2.836 12.739 -20.008 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.356 12.046 -17.656 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.195 10.426 -17.338 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.812 12.042 -17.756 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.773 10.759 -18.988 1.00 0.00 H new ATOM 692 N ILE A 47 -1.297 9.924 -20.212 1.00 0.00 N ATOM 693 CA ILE A 47 -0.579 8.798 -20.845 1.00 0.00 C ATOM 694 C ILE A 47 0.908 9.150 -21.010 1.00 0.00 C ATOM 695 O ILE A 47 1.791 8.399 -20.578 1.00 0.00 O ATOM 696 CB ILE A 47 -1.207 8.432 -22.253 1.00 0.00 C ATOM 697 CG1 ILE A 47 -2.684 7.914 -22.104 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.332 7.410 -23.033 1.00 0.00 C ATOM 699 CD1 ILE A 47 -2.847 6.651 -21.263 1.00 0.00 C ATOM 0 H ILE A 47 -2.052 10.298 -20.787 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.677 7.928 -20.195 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.231 9.351 -22.839 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.287 8.707 -21.661 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.088 7.724 -23.098 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.800 7.188 -23.992 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.658 7.833 -23.202 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.240 6.492 -22.453 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.901 6.375 -21.221 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.277 5.838 -21.713 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.480 6.836 -20.254 1.00 0.00 H new ATOM 711 N LYS A 48 1.163 10.329 -21.593 1.00 0.00 N ATOM 712 CA LYS A 48 2.519 10.779 -21.913 1.00 0.00 C ATOM 713 C LYS A 48 3.304 11.124 -20.630 1.00 0.00 C ATOM 714 O LYS A 48 4.516 11.027 -20.630 1.00 0.00 O ATOM 715 CB LYS A 48 2.475 11.976 -22.900 1.00 0.00 C ATOM 716 CG LYS A 48 3.838 12.348 -23.537 1.00 0.00 C ATOM 717 CD LYS A 48 4.462 11.174 -24.338 1.00 0.00 C ATOM 718 CE LYS A 48 5.792 11.541 -25.019 1.00 0.00 C ATOM 719 NZ LYS A 48 5.627 12.598 -26.049 1.00 0.00 N ATOM 0 H LYS A 48 0.435 10.994 -21.854 1.00 0.00 H new ATOM 0 HA LYS A 48 3.048 9.963 -22.405 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.769 11.744 -23.698 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.087 12.848 -22.374 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.704 13.204 -24.199 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.529 12.656 -22.753 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.626 10.332 -23.666 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.753 10.843 -25.097 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.502 11.880 -24.265 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.219 10.651 -25.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.528 12.739 -26.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.895 12.309 -26.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.342 13.487 -25.591 1.00 0.00 H new ATOM 733 N ALA A 49 2.598 11.491 -19.538 1.00 0.00 N ATOM 734 CA ALA A 49 3.225 11.730 -18.209 1.00 0.00 C ATOM 735 C ALA A 49 3.875 10.443 -17.681 1.00 0.00 C ATOM 736 O ALA A 49 5.004 10.466 -17.178 1.00 0.00 O ATOM 737 CB ALA A 49 2.192 12.260 -17.197 1.00 0.00 C ATOM 0 H ALA A 49 1.588 11.630 -19.546 1.00 0.00 H new ATOM 0 HA ALA A 49 3.999 12.488 -18.334 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.677 12.426 -16.235 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.776 13.200 -17.560 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.391 11.530 -17.079 1.00 0.00 H new ATOM 743 N LEU A 50 3.139 9.328 -17.833 1.00 0.00 N ATOM 744 CA LEU A 50 3.613 7.981 -17.453 1.00 0.00 C ATOM 745 C LEU A 50 4.728 7.483 -18.400 1.00 0.00 C ATOM 746 O LEU A 50 5.606 6.729 -17.970 1.00 0.00 O ATOM 747 CB LEU A 50 2.426 6.963 -17.413 1.00 0.00 C ATOM 748 CG LEU A 50 1.599 6.909 -16.087 1.00 0.00 C ATOM 749 CD1 LEU A 50 2.484 6.463 -14.899 1.00 0.00 C ATOM 750 CD2 LEU A 50 0.890 8.248 -15.792 1.00 0.00 C ATOM 0 H LEU A 50 2.197 9.333 -18.223 1.00 0.00 H new ATOM 0 HA LEU A 50 4.038 8.054 -16.452 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.745 7.200 -18.231 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.824 5.967 -17.608 1.00 0.00 H new ATOM 0 HG LEU A 50 0.817 6.161 -16.222 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.884 6.434 -13.989 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.888 5.471 -15.099 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.304 7.170 -14.771 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.328 8.165 -14.862 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.633 9.040 -15.697 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.208 8.486 -16.608 1.00 0.00 H new ATOM 762 N GLU A 51 4.672 7.897 -19.683 1.00 0.00 N ATOM 763 CA GLU A 51 5.716 7.565 -20.675 1.00 0.00 C ATOM 764 C GLU A 51 7.029 8.293 -20.353 1.00 0.00 C ATOM 765 O GLU A 51 8.099 7.694 -20.390 1.00 0.00 O ATOM 766 CB GLU A 51 5.242 7.899 -22.114 1.00 0.00 C ATOM 767 CG GLU A 51 4.127 6.978 -22.642 1.00 0.00 C ATOM 768 CD GLU A 51 4.553 5.496 -22.668 1.00 0.00 C ATOM 769 OE1 GLU A 51 5.474 5.154 -23.433 1.00 0.00 O ATOM 770 OE2 GLU A 51 3.976 4.670 -21.923 1.00 0.00 O ATOM 0 H GLU A 51 3.911 8.464 -20.057 1.00 0.00 H new ATOM 0 HA GLU A 51 5.900 6.492 -20.620 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.888 8.930 -22.138 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.096 7.840 -22.789 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.242 7.088 -22.016 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.847 7.291 -23.648 1.00 0.00 H new ATOM 777 N LEU A 52 6.915 9.579 -20.004 1.00 0.00 N ATOM 778 CA LEU A 52 8.065 10.414 -19.623 1.00 0.00 C ATOM 779 C LEU A 52 8.629 9.973 -18.260 1.00 0.00 C ATOM 780 O LEU A 52 9.816 10.148 -17.991 1.00 0.00 O ATOM 781 CB LEU A 52 7.677 11.914 -19.602 1.00 0.00 C ATOM 782 CG LEU A 52 7.190 12.532 -20.956 1.00 0.00 C ATOM 783 CD1 LEU A 52 6.866 14.034 -20.795 1.00 0.00 C ATOM 784 CD2 LEU A 52 8.204 12.288 -22.100 1.00 0.00 C ATOM 0 H LEU A 52 6.023 10.073 -19.977 1.00 0.00 H new ATOM 0 HA LEU A 52 8.845 10.280 -20.373 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.889 12.052 -18.862 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.540 12.484 -19.258 1.00 0.00 H new ATOM 0 HG LEU A 52 6.269 12.021 -21.236 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.530 14.438 -21.750 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.079 14.159 -20.051 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.760 14.566 -20.470 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.827 12.733 -23.021 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.160 12.743 -21.842 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.339 11.216 -22.244 1.00 0.00 H new ATOM 796 N TYR A 53 7.755 9.392 -17.419 1.00 0.00 N ATOM 797 CA TYR A 53 8.133 8.840 -16.109 1.00 0.00 C ATOM 798 C TYR A 53 9.028 7.594 -16.266 1.00 0.00 C ATOM 799 O TYR A 53 10.119 7.529 -15.681 1.00 0.00 O ATOM 800 CB TYR A 53 6.857 8.515 -15.280 1.00 0.00 C ATOM 801 CG TYR A 53 7.127 7.823 -13.930 1.00 0.00 C ATOM 802 CD1 TYR A 53 7.761 8.505 -12.884 1.00 0.00 C ATOM 803 CD2 TYR A 53 6.771 6.485 -13.711 1.00 0.00 C ATOM 804 CE1 TYR A 53 8.022 7.881 -11.678 1.00 0.00 C ATOM 805 CE2 TYR A 53 7.035 5.863 -12.507 1.00 0.00 C ATOM 806 CZ TYR A 53 7.660 6.561 -11.496 1.00 0.00 C ATOM 807 OH TYR A 53 7.930 5.937 -10.295 1.00 0.00 O ATOM 0 H TYR A 53 6.762 9.293 -17.631 1.00 0.00 H new ATOM 0 HA TYR A 53 8.714 9.590 -15.572 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.314 9.442 -15.096 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.205 7.877 -15.876 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.051 9.536 -13.022 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.281 5.931 -14.498 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.507 8.424 -10.881 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.752 4.831 -12.358 1.00 0.00 H new ATOM 0 HH TYR A 53 7.611 5.011 -10.329 1.00 0.00 H new ATOM 817 N LYS A 54 8.562 6.630 -17.083 1.00 0.00 N ATOM 818 CA LYS A 54 9.218 5.316 -17.239 1.00 0.00 C ATOM 819 C LYS A 54 10.563 5.429 -17.997 1.00 0.00 C ATOM 820 O LYS A 54 11.473 4.627 -17.761 1.00 0.00 O ATOM 821 CB LYS A 54 8.257 4.318 -17.944 1.00 0.00 C ATOM 822 CG LYS A 54 7.878 4.686 -19.398 1.00 0.00 C ATOM 823 CD LYS A 54 6.778 3.793 -20.028 1.00 0.00 C ATOM 824 CE LYS A 54 7.207 2.340 -20.304 1.00 0.00 C ATOM 825 NZ LYS A 54 7.348 1.523 -19.074 1.00 0.00 N ATOM 0 H LYS A 54 7.723 6.739 -17.652 1.00 0.00 H new ATOM 0 HA LYS A 54 9.448 4.935 -16.244 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.720 3.331 -17.945 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.343 4.241 -17.355 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.542 5.723 -19.420 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.773 4.628 -20.018 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.914 3.782 -19.364 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.454 4.246 -20.965 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.474 1.871 -20.960 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.157 2.345 -20.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.912 0.591 -19.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.357 1.402 -18.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.874 2.003 -18.282 1.00 0.00 H new ATOM 839 N ILE A 55 10.677 6.421 -18.911 1.00 0.00 N ATOM 840 CA ILE A 55 11.931 6.675 -19.665 1.00 0.00 C ATOM 841 C ILE A 55 12.836 7.689 -18.923 1.00 0.00 C ATOM 842 O ILE A 55 14.012 7.832 -19.273 1.00 0.00 O ATOM 843 CB ILE A 55 11.643 7.185 -21.135 1.00 0.00 C ATOM 844 CG1 ILE A 55 11.024 8.628 -21.145 1.00 0.00 C ATOM 845 CG2 ILE A 55 10.731 6.172 -21.888 1.00 0.00 C ATOM 846 CD1 ILE A 55 10.656 9.173 -22.521 1.00 0.00 C ATOM 0 H ILE A 55 9.917 7.059 -19.145 1.00 0.00 H new ATOM 0 HA ILE A 55 12.454 5.721 -19.734 1.00 0.00 H new ATOM 0 HB ILE A 55 12.596 7.249 -21.660 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.129 8.625 -20.523 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.733 9.312 -20.680 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.541 6.535 -22.898 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.228 5.203 -21.938 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.786 6.068 -21.356 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.238 10.174 -22.416 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.548 9.216 -23.146 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.919 8.519 -22.986 1.00 0.00 H new ATOM 858 N ASN A 56 12.260 8.375 -17.897 1.00 0.00 N ATOM 859 CA ASN A 56 12.942 9.414 -17.086 1.00 0.00 C ATOM 860 C ASN A 56 13.444 10.561 -17.983 1.00 0.00 C ATOM 861 O ASN A 56 14.649 10.833 -18.072 1.00 0.00 O ATOM 862 CB ASN A 56 14.090 8.813 -16.228 1.00 0.00 C ATOM 863 CG ASN A 56 13.609 7.754 -15.231 1.00 0.00 C ATOM 864 OD1 ASN A 56 13.299 8.056 -14.081 1.00 0.00 O ATOM 865 ND2 ASN A 56 13.529 6.508 -15.670 1.00 0.00 N ATOM 0 H ASN A 56 11.294 8.217 -17.609 1.00 0.00 H new ATOM 0 HA ASN A 56 12.212 9.827 -16.390 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.834 8.369 -16.889 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.586 9.616 -15.683 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.203 5.768 -15.048 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.793 6.288 -16.630 1.00 0.00 H new ATOM 872 N ALA A 57 12.488 11.207 -18.660 1.00 0.00 N ATOM 873 CA ALA A 57 12.754 12.295 -19.612 1.00 0.00 C ATOM 874 C ALA A 57 13.161 13.602 -18.900 1.00 0.00 C ATOM 875 O ALA A 57 13.142 13.691 -17.670 1.00 0.00 O ATOM 876 CB ALA A 57 11.512 12.526 -20.493 1.00 0.00 C ATOM 0 H ALA A 57 11.497 10.988 -18.562 1.00 0.00 H new ATOM 0 HA ALA A 57 13.596 11.996 -20.237 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.711 13.333 -21.198 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.280 11.613 -21.042 1.00 0.00 H new ATOM 0 HB3 ALA A 57 10.664 12.795 -19.863 1.00 0.00 H new ATOM 882 N LYS A 58 13.554 14.593 -19.710 1.00 0.00 N ATOM 883 CA LYS A 58 13.888 15.951 -19.246 1.00 0.00 C ATOM 884 C LYS A 58 12.673 16.595 -18.543 1.00 0.00 C ATOM 885 O LYS A 58 11.568 16.631 -19.098 1.00 0.00 O ATOM 886 CB LYS A 58 14.370 16.792 -20.459 1.00 0.00 C ATOM 887 CG LYS A 58 13.372 16.857 -21.652 1.00 0.00 C ATOM 888 CD LYS A 58 14.043 17.250 -22.990 1.00 0.00 C ATOM 889 CE LYS A 58 14.796 18.582 -22.913 1.00 0.00 C ATOM 890 NZ LYS A 58 15.483 18.898 -24.186 1.00 0.00 N ATOM 0 H LYS A 58 13.651 14.476 -20.719 1.00 0.00 H new ATOM 0 HA LYS A 58 14.693 15.909 -18.512 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.574 17.808 -20.120 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.314 16.379 -20.816 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.890 15.886 -21.767 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.587 17.578 -21.422 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.737 16.463 -23.287 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.281 17.314 -23.767 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.097 19.382 -22.669 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.527 18.540 -22.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.461 19.925 -24.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.471 18.576 -24.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.000 18.415 -24.970 1.00 0.00 H new ATOM 904 N LEU A 59 12.882 17.075 -17.307 1.00 0.00 N ATOM 905 CA LEU A 59 11.791 17.548 -16.435 1.00 0.00 C ATOM 906 C LEU A 59 12.019 19.025 -16.054 1.00 0.00 C ATOM 907 O LEU A 59 13.132 19.419 -15.690 1.00 0.00 O ATOM 908 CB LEU A 59 11.688 16.618 -15.173 1.00 0.00 C ATOM 909 CG LEU A 59 10.307 16.580 -14.417 1.00 0.00 C ATOM 910 CD1 LEU A 59 10.219 15.371 -13.467 1.00 0.00 C ATOM 911 CD2 LEU A 59 10.022 17.875 -13.639 1.00 0.00 C ATOM 0 H LEU A 59 13.807 17.147 -16.884 1.00 0.00 H new ATOM 0 HA LEU A 59 10.840 17.496 -16.966 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.932 15.602 -15.482 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.454 16.928 -14.462 1.00 0.00 H new ATOM 0 HG LEU A 59 9.544 16.482 -15.190 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.253 15.375 -12.961 1.00 0.00 H new ATOM 0 HD12 LEU A 59 10.325 14.450 -14.040 1.00 0.00 H new ATOM 0 HD13 LEU A 59 11.017 15.431 -12.727 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.058 17.793 -13.137 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.805 18.033 -12.897 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.001 18.718 -14.330 1.00 0.00 H new ATOM 923 N CYS A 60 10.940 19.837 -16.148 1.00 0.00 N ATOM 924 CA CYS A 60 10.934 21.233 -15.663 1.00 0.00 C ATOM 925 C CYS A 60 10.452 21.274 -14.203 1.00 0.00 C ATOM 926 O CYS A 60 9.244 21.350 -13.927 1.00 0.00 O ATOM 927 CB CYS A 60 10.037 22.125 -16.550 1.00 0.00 C ATOM 928 SG CYS A 60 10.694 22.412 -18.214 1.00 0.00 S ATOM 0 H CYS A 60 10.055 19.543 -16.560 1.00 0.00 H new ATOM 0 HA CYS A 60 11.951 21.622 -15.717 1.00 0.00 H new ATOM 0 HB2 CYS A 60 9.053 21.663 -16.634 1.00 0.00 H new ATOM 0 HB3 CYS A 60 9.897 23.086 -16.056 1.00 0.00 H new ATOM 0 HG CYS A 60 9.716 22.684 -19.026 1.00 0.00 H new