USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 470 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 60 ASN : amide:sc= -0.888 K(o=-1.1,f=0.66) USER MOD Set 1.2: A 62 THR OG1 : rot 126:sc= 0.399 USER MOD Set 1.3: A 63 THR OG1 : rot 167:sc= -0.651 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 8 TYR OH : rot 32:sc= 0.043 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -1.52 K(o=-1.5,f=-5.7!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0577 X(o=-0.058,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -1.61 K(o=-1.6,f=-0.11) USER MOD Single : A 59 TYR OH : rot 180:sc=-0.00416 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.228 USER MOD ----------------------------------------------------------------- ATOM 81 N TYR A 6 5.440 -5.210 -14.061 1.00 0.00 N ATOM 82 CA TYR A 6 4.067 -4.962 -14.609 1.00 0.00 C ATOM 83 C TYR A 6 3.661 -3.537 -14.231 1.00 0.00 C ATOM 84 O TYR A 6 4.029 -3.057 -13.178 1.00 0.00 O ATOM 85 CB TYR A 6 3.000 -5.953 -14.001 1.00 0.00 C ATOM 86 CG TYR A 6 3.617 -7.112 -13.194 1.00 0.00 C ATOM 87 CD1 TYR A 6 4.459 -8.019 -13.805 1.00 0.00 C ATOM 88 CD2 TYR A 6 3.336 -7.269 -11.846 1.00 0.00 C ATOM 89 CE1 TYR A 6 5.005 -9.056 -13.086 1.00 0.00 C ATOM 90 CE2 TYR A 6 3.885 -8.309 -11.128 1.00 0.00 C ATOM 91 CZ TYR A 6 4.726 -9.211 -11.743 1.00 0.00 C ATOM 92 OH TYR A 6 5.278 -10.258 -11.033 1.00 0.00 O ATOM 0 HA TYR A 6 4.095 -5.112 -15.688 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.324 -5.393 -13.355 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.399 -6.366 -14.811 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.690 -7.913 -14.855 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.679 -6.568 -11.353 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.661 -9.759 -13.579 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.655 -8.418 -10.078 1.00 0.00 H new ATOM 0 HH TYR A 6 4.977 -10.216 -10.101 1.00 0.00 H new ATOM 102 N GLN A 7 2.916 -2.902 -15.103 1.00 0.00 N ATOM 103 CA GLN A 7 2.715 -1.426 -14.983 1.00 0.00 C ATOM 104 C GLN A 7 1.239 -1.079 -15.156 1.00 0.00 C ATOM 105 O GLN A 7 0.479 -1.815 -15.758 1.00 0.00 O ATOM 106 CB GLN A 7 3.551 -0.699 -16.067 1.00 0.00 C ATOM 107 CG GLN A 7 5.028 -0.555 -15.623 1.00 0.00 C ATOM 108 CD GLN A 7 5.972 -0.770 -16.819 1.00 0.00 C ATOM 109 OE1 GLN A 7 5.784 -0.224 -17.889 1.00 0.00 O ATOM 110 NE2 GLN A 7 7.001 -1.562 -16.675 1.00 0.00 N ATOM 0 H GLN A 7 2.440 -3.342 -15.891 1.00 0.00 H new ATOM 0 HA GLN A 7 3.040 -1.103 -13.994 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.501 -1.255 -17.003 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.127 0.287 -16.258 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.191 0.435 -15.196 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.251 -1.280 -14.841 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.167 -2.025 -15.781 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.638 -1.718 -17.456 1.00 0.00 H new ATOM 119 N TYR A 8 0.898 0.052 -14.593 1.00 0.00 N ATOM 120 CA TYR A 8 -0.519 0.513 -14.548 1.00 0.00 C ATOM 121 C TYR A 8 -0.523 2.022 -14.797 1.00 0.00 C ATOM 122 O TYR A 8 0.155 2.767 -14.113 1.00 0.00 O ATOM 123 CB TYR A 8 -1.131 0.222 -13.155 1.00 0.00 C ATOM 124 CG TYR A 8 -1.189 -1.286 -12.859 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.038 -1.993 -12.563 1.00 0.00 C ATOM 126 CD2 TYR A 8 -2.394 -1.956 -12.881 1.00 0.00 C ATOM 127 CE1 TYR A 8 -0.089 -3.346 -12.299 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.445 -3.310 -12.614 1.00 0.00 C ATOM 129 CZ TYR A 8 -1.297 -4.017 -12.322 1.00 0.00 C ATOM 130 OH TYR A 8 -1.366 -5.371 -12.059 1.00 0.00 O ATOM 0 H TYR A 8 1.561 0.690 -14.152 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.109 -0.009 -15.301 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.539 0.720 -12.387 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.136 0.641 -13.105 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.912 -1.480 -12.538 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.303 -1.419 -13.108 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.820 -3.884 -12.073 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.396 -3.822 -12.634 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.671 -5.615 -11.413 1.00 0.00 H new ATOM 140 N ARG A 9 -1.292 2.424 -15.773 1.00 0.00 N ATOM 141 CA ARG A 9 -1.424 3.872 -16.114 1.00 0.00 C ATOM 142 C ARG A 9 -2.600 4.432 -15.305 1.00 0.00 C ATOM 143 O ARG A 9 -3.691 3.896 -15.361 1.00 0.00 O ATOM 144 CB ARG A 9 -1.678 3.977 -17.625 1.00 0.00 C ATOM 145 CG ARG A 9 -1.701 5.450 -18.073 1.00 0.00 C ATOM 146 CD ARG A 9 -1.210 5.529 -19.527 1.00 0.00 C ATOM 147 NE ARG A 9 -1.501 6.899 -20.045 1.00 0.00 N ATOM 148 CZ ARG A 9 -1.283 7.187 -21.299 1.00 0.00 C ATOM 149 NH1 ARG A 9 -0.060 7.404 -21.694 1.00 0.00 N ATOM 150 NH2 ARG A 9 -2.295 7.245 -22.117 1.00 0.00 N ATOM 0 H ARG A 9 -1.845 1.799 -16.360 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.527 4.442 -15.872 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.901 3.439 -18.168 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.627 3.502 -17.873 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.710 5.854 -17.992 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.064 6.052 -17.425 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.141 5.322 -19.579 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.710 4.778 -20.138 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.871 7.612 -19.417 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.709 7.348 -21.026 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.128 7.630 -22.671 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.239 7.067 -21.774 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.144 7.469 -23.101 1.00 0.00 H new ATOM 164 N ALA A 10 -2.347 5.490 -14.577 1.00 0.00 N ATOM 165 CA ALA A 10 -3.455 6.245 -13.906 1.00 0.00 C ATOM 166 C ALA A 10 -4.536 6.677 -14.922 1.00 0.00 C ATOM 167 O ALA A 10 -4.233 7.307 -15.917 1.00 0.00 O ATOM 168 CB ALA A 10 -2.869 7.488 -13.216 1.00 0.00 C ATOM 0 H ALA A 10 -1.413 5.868 -14.416 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.925 5.591 -13.172 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.669 8.043 -12.725 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.133 7.179 -12.473 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.389 8.124 -13.959 1.00 0.00 H new ATOM 174 N LEU A 11 -5.762 6.319 -14.629 1.00 0.00 N ATOM 175 CA LEU A 11 -6.926 6.690 -15.498 1.00 0.00 C ATOM 176 C LEU A 11 -7.489 8.070 -15.114 1.00 0.00 C ATOM 177 O LEU A 11 -7.918 8.813 -15.976 1.00 0.00 O ATOM 178 CB LEU A 11 -8.014 5.595 -15.342 1.00 0.00 C ATOM 179 CG LEU A 11 -9.069 5.654 -16.490 1.00 0.00 C ATOM 180 CD1 LEU A 11 -8.403 5.341 -17.869 1.00 0.00 C ATOM 181 CD2 LEU A 11 -10.202 4.623 -16.188 1.00 0.00 C ATOM 0 H LEU A 11 -6.012 5.772 -13.805 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.601 6.753 -16.537 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.542 4.613 -15.333 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.515 5.716 -14.382 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.490 6.658 -16.542 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.156 5.387 -18.656 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.622 6.074 -18.071 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.966 4.343 -17.844 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.945 4.656 -16.984 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.776 3.621 -16.130 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.676 4.871 -15.239 1.00 0.00 H new ATOM 193 N TYR A 12 -7.470 8.368 -13.837 1.00 0.00 N ATOM 194 CA TYR A 12 -8.080 9.637 -13.322 1.00 0.00 C ATOM 195 C TYR A 12 -7.197 10.242 -12.223 1.00 0.00 C ATOM 196 O TYR A 12 -6.571 9.526 -11.464 1.00 0.00 O ATOM 197 CB TYR A 12 -9.487 9.330 -12.751 1.00 0.00 C ATOM 198 CG TYR A 12 -10.540 10.162 -13.497 1.00 0.00 C ATOM 199 CD1 TYR A 12 -10.943 9.793 -14.765 1.00 0.00 C ATOM 200 CD2 TYR A 12 -11.098 11.287 -12.916 1.00 0.00 C ATOM 201 CE1 TYR A 12 -11.888 10.533 -15.441 1.00 0.00 C ATOM 202 CE2 TYR A 12 -12.043 12.026 -13.595 1.00 0.00 C ATOM 203 CZ TYR A 12 -12.444 11.656 -14.862 1.00 0.00 C ATOM 204 OH TYR A 12 -13.390 12.396 -15.541 1.00 0.00 O ATOM 0 H TYR A 12 -7.052 7.777 -13.118 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.162 10.354 -14.139 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.708 8.268 -12.855 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.516 9.559 -11.686 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.514 8.918 -15.230 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.791 11.588 -11.925 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.196 10.232 -16.431 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -12.473 12.902 -13.131 1.00 0.00 H new ATOM 0 HH TYR A 12 -13.675 13.151 -14.985 1.00 0.00 H new ATOM 214 N ASP A 13 -7.184 11.552 -12.182 1.00 0.00 N ATOM 215 CA ASP A 13 -6.508 12.283 -11.066 1.00 0.00 C ATOM 216 C ASP A 13 -7.215 12.028 -9.720 1.00 0.00 C ATOM 217 O ASP A 13 -8.385 12.319 -9.563 1.00 0.00 O ATOM 218 CB ASP A 13 -6.509 13.801 -11.405 1.00 0.00 C ATOM 219 CG ASP A 13 -6.269 14.636 -10.129 1.00 0.00 C ATOM 220 OD1 ASP A 13 -5.176 14.513 -9.600 1.00 0.00 O ATOM 221 OD2 ASP A 13 -7.192 15.342 -9.755 1.00 0.00 O ATOM 0 H ASP A 13 -7.618 12.152 -12.883 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.485 11.922 -10.964 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.734 14.017 -12.140 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.462 14.079 -11.856 1.00 0.00 H new ATOM 226 N TYR A 14 -6.453 11.490 -8.800 1.00 0.00 N ATOM 227 CA TYR A 14 -6.916 11.267 -7.392 1.00 0.00 C ATOM 228 C TYR A 14 -5.905 11.937 -6.445 1.00 0.00 C ATOM 229 O TYR A 14 -4.714 11.752 -6.599 1.00 0.00 O ATOM 230 CB TYR A 14 -6.996 9.732 -7.180 1.00 0.00 C ATOM 231 CG TYR A 14 -6.952 9.294 -5.698 1.00 0.00 C ATOM 232 CD1 TYR A 14 -8.109 9.208 -4.947 1.00 0.00 C ATOM 233 CD2 TYR A 14 -5.749 8.960 -5.102 1.00 0.00 C ATOM 234 CE1 TYR A 14 -8.060 8.797 -3.628 1.00 0.00 C ATOM 235 CE2 TYR A 14 -5.702 8.549 -3.787 1.00 0.00 C ATOM 236 CZ TYR A 14 -6.857 8.465 -3.040 1.00 0.00 C ATOM 237 OH TYR A 14 -6.810 8.049 -1.724 1.00 0.00 O ATOM 0 H TYR A 14 -5.495 11.185 -8.973 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.896 11.701 -7.191 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.918 9.362 -7.629 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.170 9.260 -7.712 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.058 9.464 -5.394 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.835 9.022 -5.674 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.972 8.735 -3.053 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.754 8.291 -3.339 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.882 7.855 -1.475 1.00 0.00 H new ATOM 247 N LYS A 15 -6.402 12.691 -5.495 1.00 0.00 N ATOM 248 CA LYS A 15 -5.530 13.240 -4.415 1.00 0.00 C ATOM 249 C LYS A 15 -5.502 12.235 -3.251 1.00 0.00 C ATOM 250 O LYS A 15 -6.402 11.429 -3.113 1.00 0.00 O ATOM 251 CB LYS A 15 -6.119 14.600 -3.968 1.00 0.00 C ATOM 252 CG LYS A 15 -5.288 15.173 -2.801 1.00 0.00 C ATOM 253 CD LYS A 15 -5.398 16.713 -2.756 1.00 0.00 C ATOM 254 CE LYS A 15 -4.695 17.234 -1.485 1.00 0.00 C ATOM 255 NZ LYS A 15 -5.592 17.095 -0.302 1.00 0.00 N ATOM 0 H LYS A 15 -7.386 12.951 -5.423 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.508 13.394 -4.763 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.118 15.299 -4.804 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.157 14.473 -3.659 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.637 14.751 -1.858 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.244 14.881 -2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.940 17.149 -3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.445 17.015 -2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.773 16.678 -1.318 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.417 18.280 -1.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.106 17.450 0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.461 17.645 -0.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.836 16.093 -0.167 1.00 0.00 H new ATOM 269 N LYS A 16 -4.466 12.314 -2.453 1.00 0.00 N ATOM 270 CA LYS A 16 -4.277 11.329 -1.339 1.00 0.00 C ATOM 271 C LYS A 16 -4.982 11.835 -0.076 1.00 0.00 C ATOM 272 O LYS A 16 -4.912 13.002 0.257 1.00 0.00 O ATOM 273 CB LYS A 16 -2.761 11.143 -1.048 1.00 0.00 C ATOM 274 CG LYS A 16 -2.023 12.510 -0.937 1.00 0.00 C ATOM 275 CD LYS A 16 -1.028 12.516 0.252 1.00 0.00 C ATOM 276 CE LYS A 16 -1.773 12.663 1.603 1.00 0.00 C ATOM 277 NZ LYS A 16 -1.818 14.094 2.026 1.00 0.00 N ATOM 0 H LYS A 16 -3.737 13.024 -2.525 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.706 10.372 -1.635 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.634 10.585 -0.120 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.308 10.549 -1.842 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.487 12.713 -1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.752 13.310 -0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.450 11.592 0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.319 13.336 0.133 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.787 12.274 1.509 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.273 12.068 2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.321 14.172 2.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.849 14.454 2.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.316 14.654 1.305 1.00 0.00 H new ATOM 291 N GLU A 17 -5.644 10.914 0.579 1.00 0.00 N ATOM 292 CA GLU A 17 -6.351 11.206 1.866 1.00 0.00 C ATOM 293 C GLU A 17 -5.770 10.322 2.991 1.00 0.00 C ATOM 294 O GLU A 17 -6.174 10.435 4.132 1.00 0.00 O ATOM 295 CB GLU A 17 -7.859 10.918 1.648 1.00 0.00 C ATOM 296 CG GLU A 17 -8.722 11.882 2.493 1.00 0.00 C ATOM 297 CD GLU A 17 -10.206 11.471 2.394 1.00 0.00 C ATOM 298 OE1 GLU A 17 -10.541 10.484 3.028 1.00 0.00 O ATOM 299 OE2 GLU A 17 -10.923 12.164 1.690 1.00 0.00 O ATOM 0 H GLU A 17 -5.726 9.946 0.267 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.216 12.246 2.162 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.107 11.029 0.592 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.082 9.887 1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.397 11.860 3.533 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.593 12.905 2.140 1.00 0.00 H new ATOM 306 N ARG A 18 -4.838 9.473 2.619 1.00 0.00 N ATOM 307 CA ARG A 18 -4.124 8.583 3.592 1.00 0.00 C ATOM 308 C ARG A 18 -2.621 8.877 3.555 1.00 0.00 C ATOM 309 O ARG A 18 -2.059 9.118 2.503 1.00 0.00 O ATOM 310 CB ARG A 18 -4.352 7.101 3.209 1.00 0.00 C ATOM 311 CG ARG A 18 -4.958 6.291 4.368 1.00 0.00 C ATOM 312 CD ARG A 18 -4.025 6.255 5.604 1.00 0.00 C ATOM 313 NE ARG A 18 -4.503 7.294 6.568 1.00 0.00 N ATOM 314 CZ ARG A 18 -3.748 7.740 7.538 1.00 0.00 C ATOM 315 NH1 ARG A 18 -2.586 7.196 7.784 1.00 0.00 N ATOM 316 NH2 ARG A 18 -4.201 8.741 8.242 1.00 0.00 N ATOM 0 H ARG A 18 -4.535 9.358 1.652 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.513 8.770 4.593 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.014 7.048 2.345 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.404 6.654 2.912 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.917 6.725 4.651 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.155 5.273 4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.042 5.268 6.067 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.994 6.452 5.310 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.447 7.666 6.466 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.258 6.414 7.217 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.006 7.553 8.544 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.112 9.145 8.026 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.644 9.119 9.008 1.00 0.00 H new ATOM 330 N GLU A 19 -2.025 8.837 4.721 1.00 0.00 N ATOM 331 CA GLU A 19 -0.534 8.923 4.840 1.00 0.00 C ATOM 332 C GLU A 19 0.164 7.733 4.168 1.00 0.00 C ATOM 333 O GLU A 19 1.346 7.773 3.886 1.00 0.00 O ATOM 334 CB GLU A 19 -0.167 8.970 6.337 1.00 0.00 C ATOM 335 CG GLU A 19 -1.022 10.052 7.051 1.00 0.00 C ATOM 336 CD GLU A 19 -0.114 11.016 7.835 1.00 0.00 C ATOM 337 OE1 GLU A 19 0.360 11.947 7.203 1.00 0.00 O ATOM 338 OE2 GLU A 19 0.054 10.769 9.019 1.00 0.00 O ATOM 0 H GLU A 19 -2.516 8.747 5.611 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.194 9.825 4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.340 7.996 6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.893 9.194 6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.606 10.607 6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.731 9.577 7.729 1.00 0.00 H new ATOM 345 N GLU A 20 -0.616 6.712 3.939 1.00 0.00 N ATOM 346 CA GLU A 20 -0.148 5.503 3.198 1.00 0.00 C ATOM 347 C GLU A 20 -0.317 5.697 1.684 1.00 0.00 C ATOM 348 O GLU A 20 0.458 5.166 0.909 1.00 0.00 O ATOM 349 CB GLU A 20 -0.971 4.296 3.700 1.00 0.00 C ATOM 350 CG GLU A 20 -0.280 3.649 4.923 1.00 0.00 C ATOM 351 CD GLU A 20 -0.195 4.658 6.087 1.00 0.00 C ATOM 352 OE1 GLU A 20 -1.148 4.699 6.849 1.00 0.00 O ATOM 353 OE2 GLU A 20 0.820 5.334 6.151 1.00 0.00 O ATOM 0 H GLU A 20 -1.588 6.664 4.244 1.00 0.00 H new ATOM 0 HA GLU A 20 0.913 5.331 3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.976 4.619 3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.076 3.561 2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.836 2.766 5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.721 3.315 4.649 1.00 0.00 H new ATOM 360 N ASP A 21 -1.321 6.452 1.305 1.00 0.00 N ATOM 361 CA ASP A 21 -1.570 6.721 -0.150 1.00 0.00 C ATOM 362 C ASP A 21 -0.721 7.914 -0.602 1.00 0.00 C ATOM 363 O ASP A 21 -0.516 8.848 0.150 1.00 0.00 O ATOM 364 CB ASP A 21 -3.063 7.046 -0.355 1.00 0.00 C ATOM 365 CG ASP A 21 -3.834 5.778 -0.743 1.00 0.00 C ATOM 366 OD1 ASP A 21 -4.007 4.964 0.150 1.00 0.00 O ATOM 367 OD2 ASP A 21 -4.205 5.696 -1.904 1.00 0.00 O ATOM 0 H ASP A 21 -1.982 6.896 1.943 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.301 5.843 -0.737 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.480 7.468 0.560 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.175 7.801 -1.134 1.00 0.00 H new ATOM 372 N ILE A 22 -0.261 7.837 -1.825 1.00 0.00 N ATOM 373 CA ILE A 22 0.406 9.003 -2.486 1.00 0.00 C ATOM 374 C ILE A 22 -0.519 9.664 -3.519 1.00 0.00 C ATOM 375 O ILE A 22 -1.578 9.154 -3.833 1.00 0.00 O ATOM 376 CB ILE A 22 1.706 8.507 -3.174 1.00 0.00 C ATOM 377 CG1 ILE A 22 1.387 7.276 -4.086 1.00 0.00 C ATOM 378 CG2 ILE A 22 2.761 8.124 -2.093 1.00 0.00 C ATOM 379 CD1 ILE A 22 2.236 7.313 -5.373 1.00 0.00 C ATOM 0 H ILE A 22 -0.320 7.000 -2.405 1.00 0.00 H new ATOM 0 HA ILE A 22 0.642 9.752 -1.730 1.00 0.00 H new ATOM 0 HB ILE A 22 2.114 9.305 -3.794 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.585 6.353 -3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.328 7.273 -4.344 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.672 7.776 -2.581 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.988 8.997 -1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.363 7.331 -1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.997 6.448 -5.991 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.018 8.226 -5.927 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.294 7.291 -5.112 1.00 0.00 H new ATOM 391 N ASP A 23 -0.069 10.789 -4.014 1.00 0.00 N ATOM 392 CA ASP A 23 -0.856 11.571 -5.019 1.00 0.00 C ATOM 393 C ASP A 23 -0.893 10.842 -6.367 1.00 0.00 C ATOM 394 O ASP A 23 0.032 10.135 -6.718 1.00 0.00 O ATOM 395 CB ASP A 23 -0.203 12.958 -5.184 1.00 0.00 C ATOM 396 CG ASP A 23 -0.569 13.823 -3.969 1.00 0.00 C ATOM 397 OD1 ASP A 23 -1.677 14.333 -3.982 1.00 0.00 O ATOM 398 OD2 ASP A 23 0.277 13.924 -3.095 1.00 0.00 O ATOM 0 H ASP A 23 0.826 11.207 -3.760 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.883 11.680 -4.669 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.879 12.859 -5.265 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.549 13.432 -6.103 1.00 0.00 H new ATOM 403 N LEU A 24 -1.977 11.047 -7.074 1.00 0.00 N ATOM 404 CA LEU A 24 -2.178 10.402 -8.410 1.00 0.00 C ATOM 405 C LEU A 24 -2.711 11.431 -9.419 1.00 0.00 C ATOM 406 O LEU A 24 -3.514 12.277 -9.079 1.00 0.00 O ATOM 407 CB LEU A 24 -3.193 9.240 -8.277 1.00 0.00 C ATOM 408 CG LEU A 24 -2.650 8.088 -7.373 1.00 0.00 C ATOM 409 CD1 LEU A 24 -3.774 7.021 -7.166 1.00 0.00 C ATOM 410 CD2 LEU A 24 -1.384 7.432 -8.011 1.00 0.00 C ATOM 0 H LEU A 24 -2.747 11.646 -6.776 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.222 10.016 -8.764 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.126 9.619 -7.859 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.424 8.846 -9.267 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.360 8.500 -6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.399 6.215 -6.535 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.634 7.487 -6.686 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.074 6.616 -8.133 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.023 6.632 -7.364 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.640 7.021 -8.987 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.604 8.184 -8.127 1.00 0.00 H new ATOM 422 N HIS A 25 -2.236 11.315 -10.634 1.00 0.00 N ATOM 423 CA HIS A 25 -2.513 12.335 -11.698 1.00 0.00 C ATOM 424 C HIS A 25 -2.610 11.610 -13.048 1.00 0.00 C ATOM 425 O HIS A 25 -2.298 10.440 -13.144 1.00 0.00 O ATOM 426 CB HIS A 25 -1.359 13.401 -11.753 1.00 0.00 C ATOM 427 CG HIS A 25 -0.180 13.066 -10.822 1.00 0.00 C ATOM 428 ND1 HIS A 25 -0.213 13.059 -9.530 1.00 0.00 N ATOM 429 CD2 HIS A 25 1.118 12.712 -11.134 1.00 0.00 C ATOM 430 CE1 HIS A 25 0.955 12.739 -9.067 1.00 0.00 C ATOM 431 NE2 HIS A 25 1.811 12.511 -10.032 1.00 0.00 N ATOM 0 H HIS A 25 -1.653 10.537 -10.942 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.446 12.852 -11.475 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.994 13.480 -12.777 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.761 14.377 -11.482 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -1.033 13.273 -8.962 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.508 12.614 -12.136 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.193 12.669 -8.016 1.00 0.00 H new ATOM 439 N LEU A 26 -3.045 12.314 -14.061 1.00 0.00 N ATOM 440 CA LEU A 26 -3.190 11.697 -15.419 1.00 0.00 C ATOM 441 C LEU A 26 -1.809 11.416 -16.051 1.00 0.00 C ATOM 442 O LEU A 26 -0.840 12.076 -15.726 1.00 0.00 O ATOM 443 CB LEU A 26 -4.009 12.668 -16.292 1.00 0.00 C ATOM 444 CG LEU A 26 -5.473 12.760 -15.724 1.00 0.00 C ATOM 445 CD1 LEU A 26 -5.929 14.242 -15.572 1.00 0.00 C ATOM 446 CD2 LEU A 26 -6.463 11.950 -16.614 1.00 0.00 C ATOM 0 H LEU A 26 -3.309 13.298 -14.008 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.703 10.738 -15.342 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.544 13.654 -16.295 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.027 12.321 -17.325 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.476 12.315 -14.729 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.945 14.272 -15.177 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.258 14.761 -14.887 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.904 14.732 -16.545 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.469 12.028 -16.202 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.453 12.352 -17.627 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.160 10.903 -16.636 1.00 0.00 H new ATOM 458 N GLY A 27 -1.761 10.440 -16.929 1.00 0.00 N ATOM 459 CA GLY A 27 -0.471 10.032 -17.587 1.00 0.00 C ATOM 460 C GLY A 27 0.547 9.417 -16.606 1.00 0.00 C ATOM 461 O GLY A 27 1.578 8.914 -17.012 1.00 0.00 O ATOM 0 H GLY A 27 -2.574 9.899 -17.224 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.686 9.311 -18.376 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.024 10.904 -18.065 1.00 0.00 H new ATOM 465 N ASP A 28 0.213 9.485 -15.344 1.00 0.00 N ATOM 466 CA ASP A 28 1.121 9.045 -14.241 1.00 0.00 C ATOM 467 C ASP A 28 1.293 7.512 -14.261 1.00 0.00 C ATOM 468 O ASP A 28 0.372 6.791 -13.934 1.00 0.00 O ATOM 469 CB ASP A 28 0.480 9.535 -12.929 1.00 0.00 C ATOM 470 CG ASP A 28 1.462 9.493 -11.755 1.00 0.00 C ATOM 471 OD1 ASP A 28 2.473 10.168 -11.876 1.00 0.00 O ATOM 472 OD2 ASP A 28 1.145 8.790 -10.808 1.00 0.00 O ATOM 0 H ASP A 28 -0.686 9.841 -15.021 1.00 0.00 H new ATOM 0 HA ASP A 28 2.121 9.463 -14.352 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.118 10.555 -13.062 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.387 8.917 -12.697 1.00 0.00 H new ATOM 477 N ILE A 29 2.465 7.062 -14.640 1.00 0.00 N ATOM 478 CA ILE A 29 2.706 5.588 -14.779 1.00 0.00 C ATOM 479 C ILE A 29 3.184 5.034 -13.445 1.00 0.00 C ATOM 480 O ILE A 29 3.820 5.729 -12.674 1.00 0.00 O ATOM 481 CB ILE A 29 3.775 5.363 -15.924 1.00 0.00 C ATOM 482 CG1 ILE A 29 3.138 4.481 -17.009 1.00 0.00 C ATOM 483 CG2 ILE A 29 5.175 4.759 -15.509 1.00 0.00 C ATOM 484 CD1 ILE A 29 2.873 3.033 -16.533 1.00 0.00 C ATOM 0 H ILE A 29 3.268 7.652 -14.860 1.00 0.00 H new ATOM 0 HA ILE A 29 1.791 5.062 -15.051 1.00 0.00 H new ATOM 0 HB ILE A 29 4.026 6.366 -16.269 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.198 4.930 -17.329 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.792 4.457 -17.880 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.805 4.660 -16.393 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.659 5.421 -14.791 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.028 3.778 -15.056 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.423 2.460 -17.344 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.814 2.568 -16.240 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.195 3.049 -15.680 1.00 0.00 H new ATOM 496 N LEU A 30 2.854 3.787 -13.220 1.00 0.00 N ATOM 497 CA LEU A 30 3.362 3.084 -12.014 1.00 0.00 C ATOM 498 C LEU A 30 3.968 1.710 -12.386 1.00 0.00 C ATOM 499 O LEU A 30 3.629 1.160 -13.415 1.00 0.00 O ATOM 500 CB LEU A 30 2.183 2.906 -11.021 1.00 0.00 C ATOM 501 CG LEU A 30 1.747 4.258 -10.355 1.00 0.00 C ATOM 502 CD1 LEU A 30 0.942 5.148 -11.346 1.00 0.00 C ATOM 503 CD2 LEU A 30 0.859 3.944 -9.111 1.00 0.00 C ATOM 0 H LEU A 30 2.252 3.228 -13.825 1.00 0.00 H new ATOM 0 HA LEU A 30 4.154 3.675 -11.554 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.332 2.473 -11.547 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.471 2.198 -10.244 1.00 0.00 H new ATOM 0 HG LEU A 30 2.644 4.803 -10.062 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.656 6.076 -10.851 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.559 5.375 -12.215 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.046 4.617 -11.667 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.550 4.877 -8.640 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.023 3.386 -9.425 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.429 3.349 -8.398 1.00 0.00 H new ATOM 515 N THR A 31 4.841 1.205 -11.539 1.00 0.00 N ATOM 516 CA THR A 31 5.525 -0.113 -11.802 1.00 0.00 C ATOM 517 C THR A 31 5.572 -0.973 -10.526 1.00 0.00 C ATOM 518 O THR A 31 5.779 -0.460 -9.444 1.00 0.00 O ATOM 519 CB THR A 31 6.980 0.142 -12.298 1.00 0.00 C ATOM 520 OG1 THR A 31 6.877 1.096 -13.349 1.00 0.00 O ATOM 521 CG2 THR A 31 7.595 -1.119 -12.975 1.00 0.00 C ATOM 0 H THR A 31 5.113 1.655 -10.665 1.00 0.00 H new ATOM 0 HA THR A 31 4.957 -0.646 -12.564 1.00 0.00 H new ATOM 0 HB THR A 31 7.589 0.444 -11.446 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.771 1.295 -13.699 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.610 -0.896 -13.306 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.619 -1.941 -12.260 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.988 -1.403 -13.834 1.00 0.00 H new ATOM 529 N VAL A 32 5.380 -2.261 -10.699 1.00 0.00 N ATOM 530 CA VAL A 32 5.266 -3.209 -9.541 1.00 0.00 C ATOM 531 C VAL A 32 6.445 -4.200 -9.609 1.00 0.00 C ATOM 532 O VAL A 32 7.517 -3.840 -10.058 1.00 0.00 O ATOM 533 CB VAL A 32 3.871 -3.960 -9.634 1.00 0.00 C ATOM 534 CG1 VAL A 32 3.455 -4.513 -8.230 1.00 0.00 C ATOM 535 CG2 VAL A 32 2.769 -2.996 -10.158 1.00 0.00 C ATOM 0 H VAL A 32 5.296 -2.704 -11.614 1.00 0.00 H new ATOM 0 HA VAL A 32 5.308 -2.681 -8.588 1.00 0.00 H new ATOM 0 HB VAL A 32 3.978 -4.792 -10.330 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.496 -5.025 -8.310 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.212 -5.213 -7.876 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.367 -3.686 -7.525 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.819 -3.527 -10.216 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.671 -2.150 -9.477 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.043 -2.634 -11.149 1.00 0.00 H new ATOM 545 N ASN A 33 6.226 -5.414 -9.164 1.00 0.00 N ATOM 546 CA ASN A 33 7.324 -6.428 -9.098 1.00 0.00 C ATOM 547 C ASN A 33 7.402 -7.233 -10.408 1.00 0.00 C ATOM 548 O ASN A 33 6.593 -7.056 -11.297 1.00 0.00 O ATOM 549 CB ASN A 33 7.046 -7.361 -7.874 1.00 0.00 C ATOM 550 CG ASN A 33 8.198 -7.216 -6.869 1.00 0.00 C ATOM 551 OD1 ASN A 33 8.001 -6.857 -5.725 1.00 0.00 O ATOM 552 ND2 ASN A 33 9.414 -7.486 -7.256 1.00 0.00 N ATOM 0 H ASN A 33 5.319 -5.749 -8.839 1.00 0.00 H new ATOM 0 HA ASN A 33 8.287 -5.934 -8.972 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.099 -7.095 -7.404 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.959 -8.397 -8.201 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.190 -7.395 -6.600 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.589 -7.788 -8.214 1.00 0.00 H new ATOM 737 N GLU A 47 -3.160 -10.372 -12.493 1.00 0.00 N ATOM 738 CA GLU A 47 -2.212 -9.206 -12.652 1.00 0.00 C ATOM 739 C GLU A 47 -2.520 -8.385 -13.927 1.00 0.00 C ATOM 740 O GLU A 47 -1.635 -7.928 -14.626 1.00 0.00 O ATOM 741 CB GLU A 47 -0.751 -9.752 -12.698 1.00 0.00 C ATOM 742 CG GLU A 47 0.282 -8.629 -12.394 1.00 0.00 C ATOM 743 CD GLU A 47 0.512 -8.498 -10.879 1.00 0.00 C ATOM 744 OE1 GLU A 47 1.123 -9.410 -10.350 1.00 0.00 O ATOM 745 OE2 GLU A 47 0.068 -7.497 -10.337 1.00 0.00 O ATOM 0 HA GLU A 47 -2.337 -8.535 -11.802 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.639 -10.558 -11.973 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.550 -10.177 -13.681 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.226 -8.851 -12.892 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.075 -7.681 -12.796 1.00 0.00 H new ATOM 752 N ALA A 48 -3.792 -8.227 -14.187 1.00 0.00 N ATOM 753 CA ALA A 48 -4.252 -7.573 -15.456 1.00 0.00 C ATOM 754 C ALA A 48 -5.656 -6.975 -15.290 1.00 0.00 C ATOM 755 O ALA A 48 -6.098 -6.219 -16.137 1.00 0.00 O ATOM 756 CB ALA A 48 -4.250 -8.628 -16.593 1.00 0.00 C ATOM 0 H ALA A 48 -4.545 -8.527 -13.567 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.572 -6.758 -15.704 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.583 -8.163 -17.521 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.241 -9.019 -16.725 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.924 -9.444 -16.333 1.00 0.00 H new ATOM 762 N LYS A 49 -6.313 -7.329 -14.212 1.00 0.00 N ATOM 763 CA LYS A 49 -7.685 -6.812 -13.914 1.00 0.00 C ATOM 764 C LYS A 49 -7.688 -6.049 -12.565 1.00 0.00 C ATOM 765 O LYS A 49 -8.070 -6.611 -11.559 1.00 0.00 O ATOM 766 CB LYS A 49 -8.653 -8.009 -13.864 1.00 0.00 C ATOM 767 CG LYS A 49 -8.847 -8.576 -15.290 1.00 0.00 C ATOM 768 CD LYS A 49 -9.315 -10.033 -15.175 1.00 0.00 C ATOM 769 CE LYS A 49 -9.797 -10.555 -16.542 1.00 0.00 C ATOM 770 NZ LYS A 49 -8.661 -10.639 -17.503 1.00 0.00 N ATOM 0 H LYS A 49 -5.946 -7.971 -13.509 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.001 -6.116 -14.691 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.258 -8.782 -13.204 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.613 -7.697 -13.451 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.581 -7.984 -15.836 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.913 -8.521 -15.850 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.499 -10.655 -14.809 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.122 -10.105 -14.446 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.252 -11.538 -16.422 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.567 -9.894 -16.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.006 -10.993 -18.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.244 -9.695 -17.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.939 -11.288 -17.131 1.00 0.00 H new ATOM 784 N PRO A 50 -7.273 -4.797 -12.557 1.00 0.00 N ATOM 785 CA PRO A 50 -7.344 -3.945 -11.338 1.00 0.00 C ATOM 786 C PRO A 50 -8.770 -3.839 -10.782 1.00 0.00 C ATOM 787 O PRO A 50 -8.959 -3.623 -9.603 1.00 0.00 O ATOM 788 CB PRO A 50 -6.793 -2.569 -11.741 1.00 0.00 C ATOM 789 CG PRO A 50 -6.350 -2.674 -13.229 1.00 0.00 C ATOM 790 CD PRO A 50 -6.691 -4.093 -13.731 1.00 0.00 C ATOM 0 HA PRO A 50 -6.757 -4.385 -10.532 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.554 -1.798 -11.619 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.952 -2.290 -11.107 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.861 -1.924 -13.832 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.281 -2.484 -13.322 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.399 -4.057 -14.559 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.801 -4.606 -14.095 1.00 0.00 H new ATOM 798 N GLU A 51 -9.716 -4.001 -11.676 1.00 0.00 N ATOM 799 CA GLU A 51 -11.170 -3.887 -11.337 1.00 0.00 C ATOM 800 C GLU A 51 -11.517 -4.683 -10.067 1.00 0.00 C ATOM 801 O GLU A 51 -12.186 -4.182 -9.185 1.00 0.00 O ATOM 802 CB GLU A 51 -11.996 -4.422 -12.524 1.00 0.00 C ATOM 803 CG GLU A 51 -11.882 -3.482 -13.748 1.00 0.00 C ATOM 804 CD GLU A 51 -12.928 -2.357 -13.638 1.00 0.00 C ATOM 805 OE1 GLU A 51 -14.038 -2.602 -14.084 1.00 0.00 O ATOM 806 OE2 GLU A 51 -12.561 -1.318 -13.113 1.00 0.00 O ATOM 0 H GLU A 51 -9.534 -4.214 -12.657 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.404 -2.839 -11.147 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.648 -5.419 -12.793 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.041 -4.517 -12.230 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.880 -3.056 -13.800 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.036 -4.046 -14.668 1.00 0.00 H new ATOM 813 N GLU A 52 -11.037 -5.901 -10.030 1.00 0.00 N ATOM 814 CA GLU A 52 -11.374 -6.843 -8.915 1.00 0.00 C ATOM 815 C GLU A 52 -10.336 -6.741 -7.790 1.00 0.00 C ATOM 816 O GLU A 52 -10.684 -6.831 -6.628 1.00 0.00 O ATOM 817 CB GLU A 52 -11.411 -8.297 -9.455 1.00 0.00 C ATOM 818 CG GLU A 52 -10.327 -8.474 -10.546 1.00 0.00 C ATOM 819 CD GLU A 52 -9.990 -9.955 -10.751 1.00 0.00 C ATOM 820 OE1 GLU A 52 -10.764 -10.601 -11.438 1.00 0.00 O ATOM 821 OE2 GLU A 52 -8.970 -10.354 -10.208 1.00 0.00 O ATOM 0 H GLU A 52 -10.414 -6.290 -10.738 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.352 -6.574 -8.515 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.241 -9.002 -8.641 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.396 -8.518 -9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.677 -8.044 -11.484 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.427 -7.929 -10.261 1.00 0.00 H new ATOM 828 N ILE A 53 -9.094 -6.555 -8.163 1.00 0.00 N ATOM 829 CA ILE A 53 -8.020 -6.319 -7.144 1.00 0.00 C ATOM 830 C ILE A 53 -8.330 -5.050 -6.335 1.00 0.00 C ATOM 831 O ILE A 53 -8.838 -4.080 -6.865 1.00 0.00 O ATOM 832 CB ILE A 53 -6.641 -6.153 -7.843 1.00 0.00 C ATOM 833 CG1 ILE A 53 -6.395 -7.321 -8.839 1.00 0.00 C ATOM 834 CG2 ILE A 53 -5.505 -6.151 -6.768 1.00 0.00 C ATOM 835 CD1 ILE A 53 -5.094 -7.073 -9.636 1.00 0.00 C ATOM 0 H ILE A 53 -8.775 -6.556 -9.132 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.985 -7.179 -6.475 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.638 -5.210 -8.389 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.324 -8.264 -8.296 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.239 -7.410 -9.523 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.539 -6.035 -7.260 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.661 -5.324 -6.075 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.522 -7.093 -6.219 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.930 -7.897 -10.331 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.181 -6.140 -10.193 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.252 -7.007 -8.947 1.00 0.00 H new ATOM 847 N GLY A 54 -8.010 -5.107 -5.066 1.00 0.00 N ATOM 848 CA GLY A 54 -8.465 -4.053 -4.114 1.00 0.00 C ATOM 849 C GLY A 54 -7.433 -2.938 -4.071 1.00 0.00 C ATOM 850 O GLY A 54 -7.585 -1.898 -4.684 1.00 0.00 O ATOM 0 H GLY A 54 -7.447 -5.847 -4.647 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.432 -3.658 -4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.600 -4.478 -3.119 1.00 0.00 H new ATOM 854 N TRP A 55 -6.410 -3.230 -3.324 1.00 0.00 N ATOM 855 CA TRP A 55 -5.233 -2.323 -3.199 1.00 0.00 C ATOM 856 C TRP A 55 -4.006 -3.011 -3.785 1.00 0.00 C ATOM 857 O TRP A 55 -3.713 -4.146 -3.458 1.00 0.00 O ATOM 858 CB TRP A 55 -5.048 -2.014 -1.712 1.00 0.00 C ATOM 859 CG TRP A 55 -6.159 -1.022 -1.348 1.00 0.00 C ATOM 860 CD1 TRP A 55 -7.430 -1.364 -0.997 1.00 0.00 C ATOM 861 CD2 TRP A 55 -6.040 0.318 -1.351 1.00 0.00 C ATOM 862 NE1 TRP A 55 -7.998 -0.190 -0.805 1.00 0.00 N ATOM 863 CE2 TRP A 55 -7.247 0.883 -0.992 1.00 0.00 C ATOM 864 CE3 TRP A 55 -4.959 1.129 -1.632 1.00 0.00 C ATOM 865 CZ2 TRP A 55 -7.372 2.253 -0.922 1.00 0.00 C ATOM 866 CZ3 TRP A 55 -5.083 2.495 -1.563 1.00 0.00 C ATOM 867 CH2 TRP A 55 -6.290 3.058 -1.206 1.00 0.00 C ATOM 0 H TRP A 55 -6.336 -4.087 -2.776 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.381 -1.392 -3.746 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.122 -2.921 -1.112 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.064 -1.586 -1.521 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.863 -2.349 -0.900 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.975 -0.112 -0.524 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.012 0.688 -1.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -8.317 2.696 -0.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.237 3.127 -1.788 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.388 4.132 -1.149 1.00 0.00 H new ATOM 878 N LEU A 56 -3.331 -2.292 -4.642 1.00 0.00 N ATOM 879 CA LEU A 56 -2.041 -2.778 -5.193 1.00 0.00 C ATOM 880 C LEU A 56 -0.976 -1.690 -5.062 1.00 0.00 C ATOM 881 O LEU A 56 -1.258 -0.515 -5.203 1.00 0.00 O ATOM 882 CB LEU A 56 -2.255 -3.195 -6.688 1.00 0.00 C ATOM 883 CG LEU A 56 -2.898 -2.083 -7.573 1.00 0.00 C ATOM 884 CD1 LEU A 56 -2.685 -2.452 -9.079 1.00 0.00 C ATOM 885 CD2 LEU A 56 -4.419 -1.911 -7.275 1.00 0.00 C ATOM 0 H LEU A 56 -3.626 -1.378 -4.985 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.694 -3.647 -4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.293 -3.475 -7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.889 -4.081 -6.720 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.414 -1.134 -7.342 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.130 -1.682 -9.709 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.618 -2.520 -9.289 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.158 -3.411 -9.289 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.828 -1.127 -7.912 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.937 -2.849 -7.475 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.556 -1.637 -6.229 1.00 0.00 H new ATOM 897 N ASN A 57 0.223 -2.137 -4.788 1.00 0.00 N ATOM 898 CA ASN A 57 1.370 -1.209 -4.565 1.00 0.00 C ATOM 899 C ASN A 57 2.058 -0.945 -5.910 1.00 0.00 C ATOM 900 O ASN A 57 2.129 -1.820 -6.751 1.00 0.00 O ATOM 901 CB ASN A 57 2.358 -1.863 -3.583 1.00 0.00 C ATOM 902 CG ASN A 57 3.146 -0.776 -2.848 1.00 0.00 C ATOM 903 OD1 ASN A 57 4.360 -0.744 -2.865 1.00 0.00 O ATOM 904 ND2 ASN A 57 2.486 0.136 -2.192 1.00 0.00 N ATOM 0 H ASN A 57 0.458 -3.126 -4.708 1.00 0.00 H new ATOM 0 HA ASN A 57 1.022 -0.265 -4.146 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.818 -2.482 -2.867 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.041 -2.520 -4.122 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.989 0.872 -1.696 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.466 0.114 -2.174 1.00 0.00 H new ATOM 911 N GLY A 58 2.540 0.260 -6.066 1.00 0.00 N ATOM 912 CA GLY A 58 3.304 0.629 -7.299 1.00 0.00 C ATOM 913 C GLY A 58 4.218 1.823 -7.029 1.00 0.00 C ATOM 914 O GLY A 58 4.010 2.565 -6.088 1.00 0.00 O ATOM 0 H GLY A 58 2.437 1.013 -5.386 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.898 -0.222 -7.634 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.610 0.870 -8.104 1.00 0.00 H new ATOM 918 N TYR A 59 5.201 1.962 -7.882 1.00 0.00 N ATOM 919 CA TYR A 59 6.211 3.046 -7.729 1.00 0.00 C ATOM 920 C TYR A 59 6.052 4.019 -8.902 1.00 0.00 C ATOM 921 O TYR A 59 6.091 3.634 -10.056 1.00 0.00 O ATOM 922 CB TYR A 59 7.635 2.413 -7.722 1.00 0.00 C ATOM 923 CG TYR A 59 8.719 3.475 -8.013 1.00 0.00 C ATOM 924 CD1 TYR A 59 8.685 4.713 -7.399 1.00 0.00 C ATOM 925 CD2 TYR A 59 9.740 3.204 -8.904 1.00 0.00 C ATOM 926 CE1 TYR A 59 9.646 5.660 -7.670 1.00 0.00 C ATOM 927 CE2 TYR A 59 10.702 4.153 -9.176 1.00 0.00 C ATOM 928 CZ TYR A 59 10.661 5.387 -8.562 1.00 0.00 C ATOM 929 OH TYR A 59 11.622 6.337 -8.837 1.00 0.00 O ATOM 0 H TYR A 59 5.346 1.358 -8.691 1.00 0.00 H new ATOM 0 HA TYR A 59 6.068 3.587 -6.793 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.826 1.951 -6.754 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.688 1.621 -8.469 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.895 4.940 -6.698 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.785 2.241 -9.391 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.605 6.622 -7.181 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.494 3.928 -9.875 1.00 0.00 H new ATOM 0 HH TYR A 59 12.262 5.977 -9.486 1.00 0.00 H new ATOM 939 N ASN A 60 5.876 5.260 -8.541 1.00 0.00 N ATOM 940 CA ASN A 60 5.628 6.353 -9.521 1.00 0.00 C ATOM 941 C ASN A 60 6.906 7.183 -9.768 1.00 0.00 C ATOM 942 O ASN A 60 7.154 8.187 -9.117 1.00 0.00 O ATOM 943 CB ASN A 60 4.493 7.205 -8.951 1.00 0.00 C ATOM 944 CG ASN A 60 4.069 8.241 -9.982 1.00 0.00 C ATOM 945 OD1 ASN A 60 3.972 7.971 -11.163 1.00 0.00 O ATOM 946 ND2 ASN A 60 3.805 9.446 -9.561 1.00 0.00 N ATOM 0 H ASN A 60 5.895 5.571 -7.570 1.00 0.00 H new ATOM 0 HA ASN A 60 5.346 5.950 -10.494 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.646 6.572 -8.687 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.819 7.699 -8.036 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.516 10.166 -10.223 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.887 9.669 -8.569 1.00 0.00 H new ATOM 953 N GLU A 61 7.665 6.706 -10.724 1.00 0.00 N ATOM 954 CA GLU A 61 8.978 7.319 -11.115 1.00 0.00 C ATOM 955 C GLU A 61 8.871 8.842 -11.295 1.00 0.00 C ATOM 956 O GLU A 61 9.783 9.571 -10.957 1.00 0.00 O ATOM 957 CB GLU A 61 9.450 6.675 -12.438 1.00 0.00 C ATOM 958 CG GLU A 61 9.579 5.139 -12.280 1.00 0.00 C ATOM 959 CD GLU A 61 9.656 4.452 -13.660 1.00 0.00 C ATOM 960 OE1 GLU A 61 10.665 4.650 -14.319 1.00 0.00 O ATOM 961 OE2 GLU A 61 8.700 3.764 -13.980 1.00 0.00 O ATOM 0 H GLU A 61 7.418 5.882 -11.273 1.00 0.00 H new ATOM 0 HA GLU A 61 9.695 7.133 -10.315 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.742 6.906 -13.234 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.411 7.098 -12.732 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.471 4.902 -11.700 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.725 4.753 -11.723 1.00 0.00 H new ATOM 968 N THR A 62 7.751 9.262 -11.824 1.00 0.00 N ATOM 969 CA THR A 62 7.505 10.712 -12.126 1.00 0.00 C ATOM 970 C THR A 62 7.542 11.614 -10.887 1.00 0.00 C ATOM 971 O THR A 62 8.109 12.691 -10.945 1.00 0.00 O ATOM 972 CB THR A 62 6.108 10.897 -12.820 1.00 0.00 C ATOM 973 OG1 THR A 62 5.394 9.670 -12.719 1.00 0.00 O ATOM 974 CG2 THR A 62 6.278 11.141 -14.330 1.00 0.00 C ATOM 0 H THR A 62 6.974 8.647 -12.067 1.00 0.00 H new ATOM 0 HA THR A 62 8.319 11.013 -12.785 1.00 0.00 H new ATOM 0 HB THR A 62 5.600 11.735 -12.342 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.517 9.834 -12.313 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.298 11.266 -14.791 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.872 12.041 -14.489 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.785 10.288 -14.782 1.00 0.00 H new ATOM 982 N THR A 63 6.946 11.162 -9.813 1.00 0.00 N ATOM 983 CA THR A 63 7.030 11.928 -8.530 1.00 0.00 C ATOM 984 C THR A 63 8.242 11.448 -7.729 1.00 0.00 C ATOM 985 O THR A 63 8.489 11.926 -6.638 1.00 0.00 O ATOM 986 CB THR A 63 5.734 11.704 -7.717 1.00 0.00 C ATOM 987 OG1 THR A 63 5.549 10.295 -7.657 1.00 0.00 O ATOM 988 CG2 THR A 63 4.494 12.239 -8.459 1.00 0.00 C ATOM 0 H THR A 63 6.406 10.298 -9.768 1.00 0.00 H new ATOM 0 HA THR A 63 7.142 12.992 -8.741 1.00 0.00 H new ATOM 0 HB THR A 63 5.831 12.202 -6.752 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.867 10.083 -6.986 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.604 12.062 -7.855 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.608 13.309 -8.633 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.392 11.725 -9.414 1.00 0.00 H new ATOM 996 N GLY A 64 8.953 10.509 -8.306 1.00 0.00 N ATOM 997 CA GLY A 64 10.007 9.757 -7.555 1.00 0.00 C ATOM 998 C GLY A 64 9.471 9.146 -6.253 1.00 0.00 C ATOM 999 O GLY A 64 10.230 8.874 -5.344 1.00 0.00 O ATOM 0 H GLY A 64 8.845 10.228 -9.281 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.406 8.965 -8.188 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.835 10.428 -7.325 1.00 0.00 H new ATOM 1003 N GLU A 65 8.175 8.951 -6.212 1.00 0.00 N ATOM 1004 CA GLU A 65 7.489 8.530 -4.951 1.00 0.00 C ATOM 1005 C GLU A 65 6.760 7.209 -5.194 1.00 0.00 C ATOM 1006 O GLU A 65 6.417 6.891 -6.315 1.00 0.00 O ATOM 1007 CB GLU A 65 6.472 9.604 -4.534 1.00 0.00 C ATOM 1008 CG GLU A 65 7.149 10.670 -3.655 1.00 0.00 C ATOM 1009 CD GLU A 65 6.211 11.888 -3.532 1.00 0.00 C ATOM 1010 OE1 GLU A 65 5.107 11.683 -3.049 1.00 0.00 O ATOM 1011 OE2 GLU A 65 6.649 12.956 -3.930 1.00 0.00 O ATOM 0 H GLU A 65 7.554 9.068 -7.013 1.00 0.00 H new ATOM 0 HA GLU A 65 8.227 8.404 -4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.044 10.072 -5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.649 9.142 -3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.367 10.261 -2.668 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.101 10.970 -4.093 1.00 0.00 H new ATOM 1018 N ARG A 66 6.552 6.490 -4.121 1.00 0.00 N ATOM 1019 CA ARG A 66 5.965 5.118 -4.187 1.00 0.00 C ATOM 1020 C ARG A 66 4.937 4.943 -3.069 1.00 0.00 C ATOM 1021 O ARG A 66 5.050 5.551 -2.020 1.00 0.00 O ATOM 1022 CB ARG A 66 7.103 4.063 -4.043 1.00 0.00 C ATOM 1023 CG ARG A 66 7.684 3.975 -2.602 1.00 0.00 C ATOM 1024 CD ARG A 66 8.305 5.314 -2.156 1.00 0.00 C ATOM 1025 NE ARG A 66 9.222 5.047 -1.008 1.00 0.00 N ATOM 1026 CZ ARG A 66 9.333 5.930 -0.053 1.00 0.00 C ATOM 1027 NH1 ARG A 66 8.512 5.872 0.959 1.00 0.00 N ATOM 1028 NH2 ARG A 66 10.259 6.843 -0.144 1.00 0.00 N ATOM 0 H ARG A 66 6.771 6.806 -3.176 1.00 0.00 H new ATOM 0 HA ARG A 66 5.467 4.978 -5.146 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.720 3.084 -4.333 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.907 4.309 -4.737 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.893 3.691 -1.907 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.441 3.191 -2.562 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.852 5.772 -2.980 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.524 6.016 -1.863 1.00 0.00 H new ATOM 0 HE ARG A 66 9.758 4.180 -0.970 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.798 5.145 0.995 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.584 6.554 1.714 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.882 6.859 -0.952 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.361 7.541 0.592 1.00 0.00 H new ATOM 1042 N GLY A 67 3.962 4.113 -3.332 1.00 0.00 N ATOM 1043 CA GLY A 67 2.932 3.814 -2.289 1.00 0.00 C ATOM 1044 C GLY A 67 1.789 2.991 -2.864 1.00 0.00 C ATOM 1045 O GLY A 67 1.937 2.344 -3.885 1.00 0.00 O ATOM 0 H GLY A 67 3.833 3.630 -4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.394 3.273 -1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.543 4.747 -1.881 1.00 0.00 H new ATOM 1049 N ASP A 68 0.673 3.042 -2.182 1.00 0.00 N ATOM 1050 CA ASP A 68 -0.412 2.054 -2.451 1.00 0.00 C ATOM 1051 C ASP A 68 -1.614 2.842 -2.951 1.00 0.00 C ATOM 1052 O ASP A 68 -1.857 3.951 -2.507 1.00 0.00 O ATOM 1053 CB ASP A 68 -0.780 1.296 -1.150 1.00 0.00 C ATOM 1054 CG ASP A 68 -0.758 -0.221 -1.436 1.00 0.00 C ATOM 1055 OD1 ASP A 68 -1.621 -0.646 -2.188 1.00 0.00 O ATOM 1056 OD2 ASP A 68 0.118 -0.871 -0.891 1.00 0.00 O ATOM 0 H ASP A 68 0.468 3.724 -1.452 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.092 1.317 -3.188 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.073 1.541 -0.357 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.767 1.600 -0.802 1.00 0.00 H new ATOM 1061 N PHE A 69 -2.325 2.243 -3.865 1.00 0.00 N ATOM 1062 CA PHE A 69 -3.461 2.946 -4.523 1.00 0.00 C ATOM 1063 C PHE A 69 -4.574 1.926 -4.820 1.00 0.00 C ATOM 1064 O PHE A 69 -4.282 0.762 -5.008 1.00 0.00 O ATOM 1065 CB PHE A 69 -2.953 3.607 -5.830 1.00 0.00 C ATOM 1066 CG PHE A 69 -2.322 2.566 -6.773 1.00 0.00 C ATOM 1067 CD1 PHE A 69 -1.023 2.136 -6.577 1.00 0.00 C ATOM 1068 CD2 PHE A 69 -3.048 2.045 -7.828 1.00 0.00 C ATOM 1069 CE1 PHE A 69 -0.463 1.206 -7.425 1.00 0.00 C ATOM 1070 CE2 PHE A 69 -2.488 1.113 -8.674 1.00 0.00 C ATOM 1071 CZ PHE A 69 -1.194 0.694 -8.471 1.00 0.00 C ATOM 0 H PHE A 69 -2.166 1.288 -4.187 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.863 3.722 -3.872 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.781 4.104 -6.335 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -2.219 4.376 -5.590 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.444 2.531 -5.755 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.064 2.372 -7.991 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.554 0.878 -7.268 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.064 0.712 -9.495 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.752 -0.037 -9.133 1.00 0.00 H new ATOM 1081 N PRO A 70 -5.814 2.371 -4.856 1.00 0.00 N ATOM 1082 CA PRO A 70 -6.962 1.482 -5.161 1.00 0.00 C ATOM 1083 C PRO A 70 -6.909 0.957 -6.605 1.00 0.00 C ATOM 1084 O PRO A 70 -6.173 1.464 -7.427 1.00 0.00 O ATOM 1085 CB PRO A 70 -8.221 2.316 -4.896 1.00 0.00 C ATOM 1086 CG PRO A 70 -7.752 3.765 -4.587 1.00 0.00 C ATOM 1087 CD PRO A 70 -6.215 3.783 -4.600 1.00 0.00 C ATOM 0 HA PRO A 70 -6.948 0.589 -4.536 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.882 2.302 -5.763 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.785 1.907 -4.058 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.147 4.459 -5.329 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.128 4.088 -3.616 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.835 4.448 -5.376 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.817 4.140 -3.650 1.00 0.00 H new ATOM 1095 N GLY A 71 -7.710 -0.048 -6.855 1.00 0.00 N ATOM 1096 CA GLY A 71 -7.812 -0.647 -8.219 1.00 0.00 C ATOM 1097 C GLY A 71 -9.124 -0.204 -8.870 1.00 0.00 C ATOM 1098 O GLY A 71 -9.959 -1.025 -9.201 1.00 0.00 O ATOM 0 H GLY A 71 -8.309 -0.487 -6.156 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.966 -0.334 -8.830 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.774 -1.734 -8.155 1.00 0.00 H new ATOM 1102 N THR A 72 -9.258 1.092 -9.024 1.00 0.00 N ATOM 1103 CA THR A 72 -10.448 1.665 -9.725 1.00 0.00 C ATOM 1104 C THR A 72 -10.127 2.955 -10.490 1.00 0.00 C ATOM 1105 O THR A 72 -10.808 3.291 -11.440 1.00 0.00 O ATOM 1106 CB THR A 72 -11.542 1.913 -8.658 1.00 0.00 C ATOM 1107 OG1 THR A 72 -12.687 2.364 -9.370 1.00 0.00 O ATOM 1108 CG2 THR A 72 -11.177 3.059 -7.679 1.00 0.00 C ATOM 0 H THR A 72 -8.586 1.783 -8.690 1.00 0.00 H new ATOM 0 HA THR A 72 -10.790 0.957 -10.480 1.00 0.00 H new ATOM 0 HB THR A 72 -11.682 0.996 -8.086 1.00 0.00 H new ATOM 0 HG1 THR A 72 -13.417 2.536 -8.740 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.980 3.188 -6.954 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.253 2.811 -7.157 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.041 3.985 -8.237 1.00 0.00 H new ATOM 1116 N TYR A 73 -9.102 3.631 -10.050 1.00 0.00 N ATOM 1117 CA TYR A 73 -8.688 4.926 -10.685 1.00 0.00 C ATOM 1118 C TYR A 73 -7.470 4.733 -11.601 1.00 0.00 C ATOM 1119 O TYR A 73 -6.825 5.690 -11.988 1.00 0.00 O ATOM 1120 CB TYR A 73 -8.363 5.942 -9.562 1.00 0.00 C ATOM 1121 CG TYR A 73 -9.674 6.436 -8.932 1.00 0.00 C ATOM 1122 CD1 TYR A 73 -10.596 7.139 -9.685 1.00 0.00 C ATOM 1123 CD2 TYR A 73 -9.953 6.183 -7.603 1.00 0.00 C ATOM 1124 CE1 TYR A 73 -11.774 7.577 -9.121 1.00 0.00 C ATOM 1125 CE2 TYR A 73 -11.131 6.622 -7.038 1.00 0.00 C ATOM 1126 CZ TYR A 73 -12.049 7.322 -7.792 1.00 0.00 C ATOM 1127 OH TYR A 73 -13.229 7.760 -7.225 1.00 0.00 O ATOM 0 H TYR A 73 -8.521 3.340 -9.264 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.504 5.299 -11.304 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.735 5.475 -8.804 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.801 6.783 -9.968 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.391 7.347 -10.725 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.242 5.636 -7.001 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.486 8.123 -9.722 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.336 6.416 -5.998 1.00 0.00 H new ATOM 0 HH TYR A 73 -13.258 7.492 -6.283 1.00 0.00 H new ATOM 1137 N VAL A 74 -7.205 3.490 -11.920 1.00 0.00 N ATOM 1138 CA VAL A 74 -6.048 3.124 -12.794 1.00 0.00 C ATOM 1139 C VAL A 74 -6.512 2.182 -13.912 1.00 0.00 C ATOM 1140 O VAL A 74 -7.667 1.804 -13.976 1.00 0.00 O ATOM 1141 CB VAL A 74 -4.957 2.445 -11.918 1.00 0.00 C ATOM 1142 CG1 VAL A 74 -4.474 3.445 -10.822 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -5.499 1.130 -11.270 1.00 0.00 C ATOM 0 H VAL A 74 -7.757 2.694 -11.602 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.632 4.018 -13.259 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.112 2.175 -12.551 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.709 2.970 -10.208 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.057 4.333 -11.298 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.317 3.732 -10.194 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.717 0.675 -10.663 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.358 1.362 -10.641 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.800 0.435 -12.054 1.00 0.00 H new ATOM 1153 N GLU A 75 -5.584 1.834 -14.764 1.00 0.00 N ATOM 1154 CA GLU A 75 -5.836 0.796 -15.798 1.00 0.00 C ATOM 1155 C GLU A 75 -4.503 0.094 -16.031 1.00 0.00 C ATOM 1156 O GLU A 75 -3.549 0.703 -16.479 1.00 0.00 O ATOM 1157 CB GLU A 75 -6.345 1.511 -17.057 1.00 0.00 C ATOM 1158 CG GLU A 75 -6.366 0.584 -18.294 1.00 0.00 C ATOM 1159 CD GLU A 75 -7.414 1.101 -19.300 1.00 0.00 C ATOM 1160 OE1 GLU A 75 -7.255 2.237 -19.719 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -8.316 0.334 -19.595 1.00 0.00 O ATOM 0 H GLU A 75 -4.646 2.235 -14.784 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.583 0.058 -15.507 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.350 1.891 -16.874 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.711 2.373 -17.263 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.381 0.557 -18.759 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.605 -0.436 -17.994 1.00 0.00 H new ATOM 1168 N TYR A 76 -4.484 -1.174 -15.710 1.00 0.00 N ATOM 1169 CA TYR A 76 -3.373 -2.065 -16.164 1.00 0.00 C ATOM 1170 C TYR A 76 -3.122 -1.858 -17.661 1.00 0.00 C ATOM 1171 O TYR A 76 -4.048 -1.650 -18.421 1.00 0.00 O ATOM 1172 CB TYR A 76 -3.778 -3.529 -15.869 1.00 0.00 C ATOM 1173 CG TYR A 76 -2.927 -4.488 -16.705 1.00 0.00 C ATOM 1174 CD1 TYR A 76 -1.714 -4.946 -16.239 1.00 0.00 C ATOM 1175 CD2 TYR A 76 -3.375 -4.897 -17.943 1.00 0.00 C ATOM 1176 CE1 TYR A 76 -0.958 -5.804 -17.006 1.00 0.00 C ATOM 1177 CE2 TYR A 76 -2.621 -5.754 -18.709 1.00 0.00 C ATOM 1178 CZ TYR A 76 -1.407 -6.215 -18.248 1.00 0.00 C ATOM 1179 OH TYR A 76 -0.668 -7.076 -19.031 1.00 0.00 O ATOM 0 H TYR A 76 -5.198 -1.635 -15.147 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.450 -1.829 -15.634 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.647 -3.744 -14.809 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.834 -3.675 -16.096 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.355 -4.631 -15.270 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.325 -4.542 -18.314 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.008 -6.159 -16.635 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.982 -6.068 -19.677 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.147 -7.250 -19.868 1.00 0.00 H new ATOM 1189 N ILE A 77 -1.867 -1.923 -18.026 1.00 0.00 N ATOM 1190 CA ILE A 77 -1.478 -1.757 -19.458 1.00 0.00 C ATOM 1191 C ILE A 77 -0.660 -2.953 -19.968 1.00 0.00 C ATOM 1192 O ILE A 77 -0.968 -3.489 -21.016 1.00 0.00 O ATOM 1193 CB ILE A 77 -0.660 -0.434 -19.602 1.00 0.00 C ATOM 1194 CG1 ILE A 77 0.344 -0.241 -18.417 1.00 0.00 C ATOM 1195 CG2 ILE A 77 -1.633 0.779 -19.657 1.00 0.00 C ATOM 1196 CD1 ILE A 77 1.677 0.352 -18.909 1.00 0.00 C ATOM 0 H ILE A 77 -1.089 -2.085 -17.387 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.382 -1.708 -20.065 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.084 -0.497 -20.525 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.096 0.417 -17.668 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.526 -1.200 -17.931 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.060 1.701 -19.757 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.300 0.672 -20.512 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.221 0.816 -18.740 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.354 0.475 -18.064 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.127 -0.320 -19.640 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.495 1.322 -19.372 1.00 0.00 H new ATOM 1208 N GLY A 78 0.349 -3.339 -19.225 1.00 0.00 N ATOM 1209 CA GLY A 78 1.274 -4.421 -19.693 1.00 0.00 C ATOM 1210 C GLY A 78 1.865 -5.223 -18.532 1.00 0.00 C ATOM 1211 O GLY A 78 2.047 -4.710 -17.443 1.00 0.00 O ATOM 0 H GLY A 78 0.573 -2.949 -18.309 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.734 -5.094 -20.359 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.083 -3.978 -20.274 1.00 0.00 H new ATOM 1215 N ARG A 79 2.141 -6.470 -18.835 1.00 0.00 N ATOM 1216 CA ARG A 79 2.746 -7.419 -17.845 1.00 0.00 C ATOM 1217 C ARG A 79 4.050 -8.038 -18.366 1.00 0.00 C ATOM 1218 O ARG A 79 4.125 -8.493 -19.492 1.00 0.00 O ATOM 1219 CB ARG A 79 1.714 -8.535 -17.524 1.00 0.00 C ATOM 1220 CG ARG A 79 1.288 -9.324 -18.794 1.00 0.00 C ATOM 1221 CD ARG A 79 1.924 -10.717 -18.774 1.00 0.00 C ATOM 1222 NE ARG A 79 1.552 -11.398 -20.056 1.00 0.00 N ATOM 1223 CZ ARG A 79 1.523 -12.703 -20.180 1.00 0.00 C ATOM 1224 NH1 ARG A 79 1.653 -13.484 -19.140 1.00 0.00 N ATOM 1225 NH2 ARG A 79 1.360 -13.198 -21.377 1.00 0.00 N ATOM 0 H ARG A 79 1.967 -6.880 -19.753 1.00 0.00 H new ATOM 0 HA ARG A 79 2.995 -6.862 -16.941 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.142 -9.225 -16.796 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.833 -8.090 -17.062 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.202 -9.410 -18.833 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.598 -8.785 -19.689 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.007 -10.643 -18.679 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.567 -11.289 -17.918 1.00 0.00 H new ATOM 0 HE ARG A 79 1.312 -10.824 -20.864 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.780 -13.080 -18.212 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.628 -14.497 -19.257 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.260 -12.574 -22.178 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.332 -14.209 -21.512 1.00 0.00 H new