USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=8 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 23 GLN : amide:sc= -1.33 K(o=-0.77,f=-8.1!) USER MOD Set 1.2: A 28 LYS NZ :NH3+ 175:sc= 0.556 (180deg=-0.0541) USER MOD Set 2.1: A 8 ASN : amide:sc= 0.6 K(o=0.67,f=-3.2!) USER MOD Set 2.2: A 14 ASN : amide:sc= 0.066 K(o=0.67,f=-1!) USER MOD Single : A 20 MET CE :methyl -175:sc= -0.739 (180deg=-0.83) USER MOD Single : A 21 MET CE :methyl -125:sc= -1.96 (180deg=-2.39!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.229 X(o=0.23,f=-0.00062) USER MOD Single : A 41 ASN : amide:sc= 0.0923 K(o=0.092,f=-1.9!) USER MOD Single : A 47 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.1!) USER MOD Single : A 52 MET CE :methyl 155:sc= -0.211 (180deg=-0.958) USER MOD Single : A 56 LYS NZ :NH3+ 157:sc= 1.25 (180deg=1.17) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 3 3.092 2.599 7.173 1.00 0.00 N ATOM 71 CA ILE A 3 3.271 3.215 5.917 1.00 0.00 C ATOM 72 C ILE A 3 2.506 2.408 4.868 1.00 0.00 C ATOM 73 O ILE A 3 2.907 1.312 4.453 1.00 0.00 O ATOM 74 CB ILE A 3 4.776 3.400 5.584 1.00 0.00 C ATOM 75 CG1 ILE A 3 4.999 3.940 4.146 1.00 0.00 C ATOM 76 CG2 ILE A 3 5.560 2.125 5.869 1.00 0.00 C ATOM 77 CD1 ILE A 3 6.457 4.211 3.791 1.00 0.00 C ATOM 0 HA ILE A 3 2.862 4.225 5.929 1.00 0.00 H new ATOM 0 HB ILE A 3 5.170 4.169 6.248 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.593 3.221 3.435 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.431 4.863 4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.611 2.282 5.627 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.465 1.868 6.924 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.165 1.311 5.260 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.519 4.585 2.769 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.866 4.954 4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.030 3.287 3.875 1.00 0.00 H new ATOM 89 N LEU A 4 1.358 2.927 4.525 1.00 0.00 N ATOM 90 CA LEU A 4 0.472 2.330 3.576 1.00 0.00 C ATOM 91 C LEU A 4 1.085 2.358 2.199 1.00 0.00 C ATOM 92 O LEU A 4 1.222 3.425 1.571 1.00 0.00 O ATOM 93 CB LEU A 4 -0.870 3.046 3.589 1.00 0.00 C ATOM 94 CG LEU A 4 -1.602 3.102 4.942 1.00 0.00 C ATOM 95 CD1 LEU A 4 -2.966 3.743 4.802 1.00 0.00 C ATOM 96 CD2 LEU A 4 -1.708 1.721 5.569 1.00 0.00 C ATOM 0 H LEU A 4 1.008 3.803 4.913 1.00 0.00 H new ATOM 0 HA LEU A 4 0.306 1.289 3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.716 4.067 3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.524 2.559 2.866 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.009 3.726 5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.458 3.768 5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.853 4.760 4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.571 3.163 4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.230 1.794 6.523 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.262 1.060 4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.709 1.318 5.732 1.00 0.00 H new ATOM 108 N GLY A 5 1.451 1.199 1.746 1.00 0.00 N ATOM 109 CA GLY A 5 2.126 1.074 0.501 1.00 0.00 C ATOM 110 C GLY A 5 3.467 0.408 0.686 1.00 0.00 C ATOM 111 O GLY A 5 4.082 -0.032 -0.263 1.00 0.00 O ATOM 0 H GLY A 5 1.288 0.317 2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.518 0.492 -0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.262 2.059 0.055 1.00 0.00 H new ATOM 115 N ASP A 6 3.920 0.337 1.915 1.00 0.00 N ATOM 116 CA ASP A 6 5.172 -0.302 2.221 1.00 0.00 C ATOM 117 C ASP A 6 4.950 -1.481 3.161 1.00 0.00 C ATOM 118 O ASP A 6 5.009 -1.384 4.385 1.00 0.00 O ATOM 119 CB ASP A 6 6.202 0.710 2.708 1.00 0.00 C ATOM 120 CG ASP A 6 7.493 0.105 3.148 1.00 0.00 C ATOM 121 OD1 ASP A 6 8.014 -0.778 2.443 1.00 0.00 O ATOM 122 OD2 ASP A 6 8.052 0.542 4.162 1.00 0.00 O ATOM 0 H ASP A 6 3.432 0.719 2.725 1.00 0.00 H new ATOM 0 HA ASP A 6 5.600 -0.723 1.311 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.402 1.422 1.908 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.776 1.274 3.538 1.00 0.00 H new ATOM 127 N LEU A 7 4.636 -2.572 2.522 1.00 0.00 N ATOM 128 CA LEU A 7 4.230 -3.824 3.103 1.00 0.00 C ATOM 129 C LEU A 7 5.404 -4.612 3.621 1.00 0.00 C ATOM 130 O LEU A 7 5.287 -5.343 4.592 1.00 0.00 O ATOM 131 CB LEU A 7 3.482 -4.663 2.052 1.00 0.00 C ATOM 132 CG LEU A 7 2.052 -4.233 1.641 1.00 0.00 C ATOM 133 CD1 LEU A 7 1.989 -2.862 0.999 1.00 0.00 C ATOM 134 CD2 LEU A 7 1.487 -5.239 0.694 1.00 0.00 C ATOM 0 H LEU A 7 4.658 -2.614 1.503 1.00 0.00 H new ATOM 0 HA LEU A 7 3.577 -3.599 3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.093 -4.685 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.426 -5.686 2.424 1.00 0.00 H new ATOM 0 HG LEU A 7 1.469 -4.179 2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.957 -2.629 0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.364 -2.115 1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.602 -2.854 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.480 -4.939 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.118 -5.299 -0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.449 -6.214 1.179 1.00 0.00 H new ATOM 146 N ASN A 8 6.529 -4.499 2.955 1.00 0.00 N ATOM 147 CA ASN A 8 7.725 -5.223 3.387 1.00 0.00 C ATOM 148 C ASN A 8 8.530 -4.390 4.371 1.00 0.00 C ATOM 149 O ASN A 8 9.555 -4.839 4.880 1.00 0.00 O ATOM 150 CB ASN A 8 8.589 -5.705 2.192 1.00 0.00 C ATOM 151 CG ASN A 8 9.265 -4.596 1.409 1.00 0.00 C ATOM 152 OD1 ASN A 8 8.800 -3.484 1.357 1.00 0.00 O ATOM 153 ND2 ASN A 8 10.323 -4.907 0.754 1.00 0.00 N ATOM 0 H ASN A 8 6.652 -3.924 2.122 1.00 0.00 H new ATOM 0 HA ASN A 8 7.393 -6.125 3.902 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.354 -6.385 2.566 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.958 -6.278 1.513 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.788 -4.208 0.175 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.699 -5.853 0.812 1.00 0.00 H new ATOM 160 N ASP A 9 8.040 -3.171 4.616 1.00 0.00 N ATOM 161 CA ASP A 9 8.608 -2.222 5.592 1.00 0.00 C ATOM 162 C ASP A 9 10.072 -1.917 5.297 1.00 0.00 C ATOM 163 O ASP A 9 10.990 -2.318 6.019 1.00 0.00 O ATOM 164 CB ASP A 9 8.346 -2.662 7.061 1.00 0.00 C ATOM 165 CG ASP A 9 8.921 -1.730 8.133 1.00 0.00 C ATOM 166 OD1 ASP A 9 9.698 -2.209 8.992 1.00 0.00 O ATOM 167 OD2 ASP A 9 8.626 -0.511 8.140 1.00 0.00 O ATOM 0 H ASP A 9 7.220 -2.804 4.133 1.00 0.00 H new ATOM 0 HA ASP A 9 8.078 -1.277 5.476 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.270 -2.744 7.213 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.765 -3.658 7.205 1.00 0.00 H new ATOM 172 N ASP A 10 10.291 -1.324 4.158 1.00 0.00 N ATOM 173 CA ASP A 10 11.627 -0.958 3.741 1.00 0.00 C ATOM 174 C ASP A 10 11.750 0.535 3.501 1.00 0.00 C ATOM 175 O ASP A 10 12.814 1.031 3.122 1.00 0.00 O ATOM 176 CB ASP A 10 12.145 -1.796 2.548 1.00 0.00 C ATOM 177 CG ASP A 10 11.391 -1.664 1.226 1.00 0.00 C ATOM 178 OD1 ASP A 10 10.475 -0.832 1.088 1.00 0.00 O ATOM 179 OD2 ASP A 10 11.691 -2.451 0.291 1.00 0.00 O ATOM 0 H ASP A 10 9.558 -1.079 3.492 1.00 0.00 H new ATOM 0 HA ASP A 10 12.286 -1.204 4.573 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.186 -1.526 2.372 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.133 -2.846 2.841 1.00 0.00 H new ATOM 184 N GLY A 11 10.665 1.245 3.731 1.00 0.00 N ATOM 185 CA GLY A 11 10.682 2.690 3.663 1.00 0.00 C ATOM 186 C GLY A 11 10.270 3.265 2.347 1.00 0.00 C ATOM 187 O GLY A 11 10.323 4.491 2.159 1.00 0.00 O ATOM 0 H GLY A 11 9.758 0.843 3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.022 3.083 4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.689 3.038 3.895 1.00 0.00 H new ATOM 191 N VAL A 12 9.847 2.438 1.441 1.00 0.00 N ATOM 192 CA VAL A 12 9.513 2.911 0.122 1.00 0.00 C ATOM 193 C VAL A 12 8.484 2.007 -0.558 1.00 0.00 C ATOM 194 O VAL A 12 8.432 0.811 -0.279 1.00 0.00 O ATOM 195 CB VAL A 12 10.823 3.031 -0.736 1.00 0.00 C ATOM 196 CG1 VAL A 12 11.578 1.712 -0.788 1.00 0.00 C ATOM 197 CG2 VAL A 12 10.544 3.540 -2.127 1.00 0.00 C ATOM 0 H VAL A 12 9.723 1.436 1.584 1.00 0.00 H new ATOM 0 HA VAL A 12 9.054 3.896 0.210 1.00 0.00 H new ATOM 0 HB VAL A 12 11.456 3.765 -0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.479 1.832 -1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.854 1.411 0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.943 0.947 -1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.478 3.607 -2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.866 2.855 -2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.085 4.527 -2.068 1.00 0.00 H new ATOM 207 N VAL A 13 7.634 2.593 -1.378 1.00 0.00 N ATOM 208 CA VAL A 13 6.710 1.858 -2.194 1.00 0.00 C ATOM 209 C VAL A 13 7.464 1.271 -3.408 1.00 0.00 C ATOM 210 O VAL A 13 7.845 1.972 -4.335 1.00 0.00 O ATOM 211 CB VAL A 13 5.490 2.743 -2.627 1.00 0.00 C ATOM 212 CG1 VAL A 13 4.618 3.055 -1.420 1.00 0.00 C ATOM 213 CG2 VAL A 13 5.936 4.063 -3.277 1.00 0.00 C ATOM 0 H VAL A 13 7.571 3.605 -1.492 1.00 0.00 H new ATOM 0 HA VAL A 13 6.293 1.036 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 13 4.925 2.173 -3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.773 3.670 -1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.250 2.125 -0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.205 3.594 -0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.058 4.644 -3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.535 4.634 -2.567 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.532 3.849 -4.164 1.00 0.00 H new ATOM 223 N ASN A 14 7.789 0.021 -3.314 1.00 0.00 N ATOM 224 CA ASN A 14 8.539 -0.651 -4.348 1.00 0.00 C ATOM 225 C ASN A 14 7.842 -1.904 -4.827 1.00 0.00 C ATOM 226 O ASN A 14 6.840 -2.325 -4.244 1.00 0.00 O ATOM 227 CB ASN A 14 10.016 -0.894 -3.943 1.00 0.00 C ATOM 228 CG ASN A 14 10.257 -1.726 -2.701 1.00 0.00 C ATOM 229 OD1 ASN A 14 9.430 -1.832 -1.795 1.00 0.00 O ATOM 230 ND2 ASN A 14 11.409 -2.270 -2.616 1.00 0.00 N ATOM 0 H ASN A 14 7.545 -0.571 -2.520 1.00 0.00 H new ATOM 0 HA ASN A 14 8.576 0.023 -5.204 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.522 -1.377 -4.779 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.493 0.076 -3.800 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.660 -2.806 -1.785 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.078 -2.169 -3.379 1.00 0.00 H new ATOM 237 N GLY A 15 8.397 -2.534 -5.852 1.00 0.00 N ATOM 238 CA GLY A 15 7.804 -3.731 -6.452 1.00 0.00 C ATOM 239 C GLY A 15 7.736 -4.922 -5.509 1.00 0.00 C ATOM 240 O GLY A 15 6.947 -5.839 -5.716 1.00 0.00 O ATOM 0 H GLY A 15 9.267 -2.236 -6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.797 -3.493 -6.795 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.383 -4.009 -7.333 1.00 0.00 H new ATOM 244 N ARG A 16 8.547 -4.885 -4.449 1.00 0.00 N ATOM 245 CA ARG A 16 8.564 -5.942 -3.438 1.00 0.00 C ATOM 246 C ARG A 16 7.247 -5.955 -2.692 1.00 0.00 C ATOM 247 O ARG A 16 6.775 -6.997 -2.271 1.00 0.00 O ATOM 248 CB ARG A 16 9.654 -5.708 -2.410 1.00 0.00 C ATOM 249 CG ARG A 16 11.026 -5.476 -2.966 1.00 0.00 C ATOM 250 CD ARG A 16 11.590 -6.656 -3.712 1.00 0.00 C ATOM 251 NE ARG A 16 12.945 -6.351 -4.167 1.00 0.00 N ATOM 252 CZ ARG A 16 13.476 -6.706 -5.343 1.00 0.00 C ATOM 253 NH1 ARG A 16 12.779 -7.430 -6.221 1.00 0.00 N ATOM 254 NH2 ARG A 16 14.703 -6.321 -5.637 1.00 0.00 N ATOM 0 H ARG A 16 9.205 -4.127 -4.269 1.00 0.00 H new ATOM 0 HA ARG A 16 8.741 -6.884 -3.958 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.377 -4.847 -1.802 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.692 -6.570 -1.744 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.995 -4.616 -3.635 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.700 -5.220 -2.149 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.602 -7.534 -3.066 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.955 -6.896 -4.565 1.00 0.00 H new ATOM 0 HE ARG A 16 13.540 -5.820 -3.531 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.827 -7.721 -6.000 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.199 -7.692 -7.113 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.235 -5.760 -4.972 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.120 -6.584 -6.530 1.00 0.00 H new ATOM 268 N ASP A 17 6.651 -4.774 -2.548 1.00 0.00 N ATOM 269 CA ASP A 17 5.402 -4.616 -1.829 1.00 0.00 C ATOM 270 C ASP A 17 4.297 -5.287 -2.582 1.00 0.00 C ATOM 271 O ASP A 17 3.435 -5.915 -1.992 1.00 0.00 O ATOM 272 CB ASP A 17 5.069 -3.150 -1.614 1.00 0.00 C ATOM 273 CG ASP A 17 6.101 -2.434 -0.800 1.00 0.00 C ATOM 274 OD1 ASP A 17 6.334 -2.775 0.360 1.00 0.00 O ATOM 275 OD2 ASP A 17 6.760 -1.527 -1.290 1.00 0.00 O ATOM 0 H ASP A 17 7.024 -3.904 -2.928 1.00 0.00 H new ATOM 0 HA ASP A 17 5.512 -5.082 -0.850 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.971 -2.659 -2.582 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.102 -3.071 -1.117 1.00 0.00 H new ATOM 280 N ILE A 18 4.356 -5.160 -3.901 1.00 0.00 N ATOM 281 CA ILE A 18 3.443 -5.828 -4.835 1.00 0.00 C ATOM 282 C ILE A 18 3.423 -7.329 -4.570 1.00 0.00 C ATOM 283 O ILE A 18 2.362 -7.941 -4.508 1.00 0.00 O ATOM 284 CB ILE A 18 3.848 -5.546 -6.341 1.00 0.00 C ATOM 285 CG1 ILE A 18 3.470 -4.135 -6.789 1.00 0.00 C ATOM 286 CG2 ILE A 18 3.245 -6.556 -7.317 1.00 0.00 C ATOM 287 CD1 ILE A 18 4.070 -3.008 -6.018 1.00 0.00 C ATOM 0 H ILE A 18 5.053 -4.579 -4.367 1.00 0.00 H new ATOM 0 HA ILE A 18 2.444 -5.422 -4.674 1.00 0.00 H new ATOM 0 HB ILE A 18 4.933 -5.648 -6.363 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.754 -4.022 -7.835 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.385 -4.041 -6.741 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.557 -6.312 -8.332 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.590 -7.558 -7.063 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.158 -6.519 -7.253 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.726 -2.060 -6.432 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.767 -3.079 -4.974 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.157 -3.060 -6.084 1.00 0.00 H new ATOM 299 N VAL A 19 4.602 -7.887 -4.378 1.00 0.00 N ATOM 300 CA VAL A 19 4.774 -9.308 -4.068 1.00 0.00 C ATOM 301 C VAL A 19 4.020 -9.648 -2.798 1.00 0.00 C ATOM 302 O VAL A 19 3.140 -10.490 -2.811 1.00 0.00 O ATOM 303 CB VAL A 19 6.268 -9.663 -3.868 1.00 0.00 C ATOM 304 CG1 VAL A 19 6.470 -11.163 -3.703 1.00 0.00 C ATOM 305 CG2 VAL A 19 7.114 -9.106 -5.003 1.00 0.00 C ATOM 0 H VAL A 19 5.480 -7.370 -4.431 1.00 0.00 H new ATOM 0 HA VAL A 19 4.385 -9.883 -4.908 1.00 0.00 H new ATOM 0 HB VAL A 19 6.601 -9.193 -2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.530 -11.374 -3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.914 -11.511 -2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.110 -11.679 -4.593 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.159 -9.368 -4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.777 -9.529 -5.949 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.013 -8.021 -5.034 1.00 0.00 H new ATOM 315 N MET A 20 4.322 -8.903 -1.744 1.00 0.00 N ATOM 316 CA MET A 20 3.756 -9.103 -0.397 1.00 0.00 C ATOM 317 C MET A 20 2.221 -9.008 -0.433 1.00 0.00 C ATOM 318 O MET A 20 1.517 -9.799 0.212 1.00 0.00 O ATOM 319 CB MET A 20 4.293 -8.030 0.550 1.00 0.00 C ATOM 320 CG MET A 20 5.803 -7.834 0.511 1.00 0.00 C ATOM 321 SD MET A 20 6.765 -9.217 1.156 1.00 0.00 S ATOM 322 CE MET A 20 6.465 -9.057 2.914 1.00 0.00 C ATOM 0 H MET A 20 4.979 -8.125 -1.791 1.00 0.00 H new ATOM 0 HA MET A 20 4.045 -10.094 -0.047 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.812 -7.082 0.310 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.001 -8.287 1.568 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.104 -7.650 -0.520 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.053 -6.939 1.081 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.066 -9.789 3.454 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.737 -8.053 3.240 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.409 -9.231 3.120 1.00 0.00 H new ATOM 332 N MET A 21 1.740 -8.033 -1.207 1.00 0.00 N ATOM 333 CA MET A 21 0.312 -7.760 -1.451 1.00 0.00 C ATOM 334 C MET A 21 -0.347 -9.015 -1.960 1.00 0.00 C ATOM 335 O MET A 21 -1.259 -9.561 -1.342 1.00 0.00 O ATOM 336 CB MET A 21 0.230 -6.702 -2.563 1.00 0.00 C ATOM 337 CG MET A 21 -1.149 -6.129 -2.943 1.00 0.00 C ATOM 338 SD MET A 21 -1.759 -4.760 -1.914 1.00 0.00 S ATOM 339 CE MET A 21 -2.149 -5.514 -0.357 1.00 0.00 C ATOM 0 H MET A 21 2.353 -7.385 -1.702 1.00 0.00 H new ATOM 0 HA MET A 21 -0.176 -7.423 -0.536 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.865 -5.866 -2.270 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.667 -7.135 -3.463 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.105 -5.787 -3.977 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.879 -6.938 -2.905 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.184 -5.293 -0.095 1.00 0.00 H new ATOM 0 HE2 MET A 21 -2.016 -6.593 -0.432 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.487 -5.119 0.414 1.00 0.00 H new ATOM 349 N ARG A 22 0.204 -9.493 -3.050 1.00 0.00 N ATOM 350 CA ARG A 22 -0.276 -10.630 -3.789 1.00 0.00 C ATOM 351 C ARG A 22 -0.196 -11.911 -3.003 1.00 0.00 C ATOM 352 O ARG A 22 -1.010 -12.798 -3.211 1.00 0.00 O ATOM 353 CB ARG A 22 0.508 -10.747 -5.061 1.00 0.00 C ATOM 354 CG ARG A 22 0.204 -9.660 -6.059 1.00 0.00 C ATOM 355 CD ARG A 22 1.299 -9.565 -7.093 1.00 0.00 C ATOM 356 NE ARG A 22 1.615 -10.856 -7.677 1.00 0.00 N ATOM 357 CZ ARG A 22 2.090 -11.054 -8.913 1.00 0.00 C ATOM 358 NH1 ARG A 22 2.123 -10.055 -9.790 1.00 0.00 N ATOM 359 NH2 ARG A 22 2.496 -12.261 -9.276 1.00 0.00 N ATOM 0 H ARG A 22 1.039 -9.078 -3.463 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.332 -10.469 -4.006 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.572 -10.725 -4.825 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.302 -11.715 -5.517 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.748 -9.864 -6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.099 -8.705 -5.544 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.994 -8.877 -7.881 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.195 -9.147 -6.634 1.00 0.00 H new ATOM 0 HE ARG A 22 1.462 -11.681 -7.097 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.785 -9.130 -9.523 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.486 -10.213 -10.730 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.446 -13.036 -8.615 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.858 -12.416 -10.217 1.00 0.00 H new ATOM 373 N GLN A 23 0.786 -12.016 -2.111 1.00 0.00 N ATOM 374 CA GLN A 23 0.917 -13.171 -1.255 1.00 0.00 C ATOM 375 C GLN A 23 -0.281 -13.290 -0.358 1.00 0.00 C ATOM 376 O GLN A 23 -0.981 -14.304 -0.372 1.00 0.00 O ATOM 377 CB GLN A 23 2.134 -13.059 -0.371 1.00 0.00 C ATOM 378 CG GLN A 23 3.465 -12.900 -1.062 1.00 0.00 C ATOM 379 CD GLN A 23 3.836 -14.056 -1.977 1.00 0.00 C ATOM 380 OE1 GLN A 23 2.987 -14.701 -2.610 1.00 0.00 O ATOM 381 NE2 GLN A 23 5.086 -14.364 -2.012 1.00 0.00 N ATOM 0 H GLN A 23 1.503 -11.304 -1.969 1.00 0.00 H new ATOM 0 HA GLN A 23 1.007 -14.043 -1.903 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.993 -12.207 0.294 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.181 -13.949 0.256 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.451 -11.980 -1.646 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.242 -12.786 -0.306 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.762 -13.815 -1.481 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.400 -15.157 -2.571 1.00 0.00 H new ATOM 390 N TYR A 24 -0.534 -12.236 0.401 1.00 0.00 N ATOM 391 CA TYR A 24 -1.609 -12.226 1.352 1.00 0.00 C ATOM 392 C TYR A 24 -2.952 -12.349 0.643 1.00 0.00 C ATOM 393 O TYR A 24 -3.814 -13.112 1.069 1.00 0.00 O ATOM 394 CB TYR A 24 -1.539 -10.961 2.179 1.00 0.00 C ATOM 395 CG TYR A 24 -2.518 -10.937 3.329 1.00 0.00 C ATOM 396 CD1 TYR A 24 -3.787 -10.414 3.165 1.00 0.00 C ATOM 397 CD2 TYR A 24 -2.180 -11.459 4.569 1.00 0.00 C ATOM 398 CE1 TYR A 24 -4.689 -10.407 4.184 1.00 0.00 C ATOM 399 CE2 TYR A 24 -3.085 -11.453 5.609 1.00 0.00 C ATOM 400 CZ TYR A 24 -4.342 -10.923 5.408 1.00 0.00 C ATOM 401 OH TYR A 24 -5.266 -10.922 6.431 1.00 0.00 O ATOM 0 H TYR A 24 0.004 -11.370 0.368 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.510 -13.083 2.018 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.528 -10.848 2.571 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.728 -10.103 1.533 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.069 -10.002 2.207 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.195 -11.875 4.722 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.676 -9.996 4.030 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.812 -11.859 6.572 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.868 -11.322 7.232 1.00 0.00 H new ATOM 411 N LEU A 25 -3.089 -11.613 -0.438 1.00 0.00 N ATOM 412 CA LEU A 25 -4.302 -11.654 -1.296 1.00 0.00 C ATOM 413 C LEU A 25 -4.563 -13.054 -1.866 1.00 0.00 C ATOM 414 O LEU A 25 -5.707 -13.446 -2.047 1.00 0.00 O ATOM 415 CB LEU A 25 -4.221 -10.660 -2.463 1.00 0.00 C ATOM 416 CG LEU A 25 -4.226 -9.167 -2.128 1.00 0.00 C ATOM 417 CD1 LEU A 25 -4.055 -8.355 -3.395 1.00 0.00 C ATOM 418 CD2 LEU A 25 -5.512 -8.751 -1.422 1.00 0.00 C ATOM 0 H LEU A 25 -2.375 -10.962 -0.766 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.127 -11.373 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.311 -10.875 -3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.060 -10.857 -3.130 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.394 -8.976 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.059 -7.293 -3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.108 -8.614 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.874 -8.573 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.477 -7.684 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.365 -8.960 -2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.614 -9.311 -0.492 1.00 0.00 H new ATOM 430 N ALA A 26 -3.496 -13.796 -2.147 1.00 0.00 N ATOM 431 CA ALA A 26 -3.624 -15.155 -2.677 1.00 0.00 C ATOM 432 C ALA A 26 -4.065 -16.114 -1.595 1.00 0.00 C ATOM 433 O ALA A 26 -4.657 -17.156 -1.876 1.00 0.00 O ATOM 434 CB ALA A 26 -2.316 -15.633 -3.277 1.00 0.00 C ATOM 0 H ALA A 26 -2.534 -13.483 -2.018 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.381 -15.130 -3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.441 -16.645 -3.663 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.024 -14.968 -4.090 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.541 -15.630 -2.510 1.00 0.00 H new ATOM 440 N GLY A 27 -3.798 -15.742 -0.365 1.00 0.00 N ATOM 441 CA GLY A 27 -4.136 -16.556 0.740 1.00 0.00 C ATOM 442 C GLY A 27 -2.922 -17.063 1.477 1.00 0.00 C ATOM 443 O GLY A 27 -3.026 -17.977 2.286 1.00 0.00 O ATOM 0 H GLY A 27 -3.340 -14.864 -0.120 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.763 -15.988 1.427 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.728 -17.404 0.395 1.00 0.00 H new ATOM 447 N LYS A 28 -1.757 -16.479 1.212 1.00 0.00 N ATOM 448 CA LYS A 28 -0.552 -16.902 1.899 1.00 0.00 C ATOM 449 C LYS A 28 -0.382 -16.114 3.172 1.00 0.00 C ATOM 450 O LYS A 28 -0.846 -14.969 3.282 1.00 0.00 O ATOM 451 CB LYS A 28 0.733 -16.735 1.060 1.00 0.00 C ATOM 452 CG LYS A 28 0.701 -17.339 -0.314 1.00 0.00 C ATOM 453 CD LYS A 28 2.080 -17.257 -0.939 1.00 0.00 C ATOM 454 CE LYS A 28 2.125 -17.817 -2.352 1.00 0.00 C ATOM 455 NZ LYS A 28 1.327 -17.007 -3.295 1.00 0.00 N ATOM 0 H LYS A 28 -1.627 -15.725 0.538 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.684 -17.966 2.098 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.945 -15.670 0.963 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.564 -17.176 1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.378 -18.378 -0.258 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.023 -16.813 -0.936 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.404 -16.216 -0.956 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.789 -17.802 -0.315 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.159 -17.856 -2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.752 -18.841 -2.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.453 -17.373 -4.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.322 -17.059 -3.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.644 -16.017 -3.257 1.00 0.00 H new ATOM 469 N THR A 29 0.260 -16.718 4.116 1.00 0.00 N ATOM 470 CA THR A 29 0.591 -16.072 5.345 1.00 0.00 C ATOM 471 C THR A 29 2.035 -15.604 5.217 1.00 0.00 C ATOM 472 O THR A 29 2.964 -16.414 5.209 1.00 0.00 O ATOM 473 CB THR A 29 0.426 -17.039 6.527 1.00 0.00 C ATOM 474 OG1 THR A 29 -0.896 -17.618 6.469 1.00 0.00 O ATOM 475 CG2 THR A 29 0.582 -16.299 7.846 1.00 0.00 C ATOM 0 H THR A 29 0.574 -17.687 4.056 1.00 0.00 H new ATOM 0 HA THR A 29 -0.072 -15.228 5.536 1.00 0.00 H new ATOM 0 HB THR A 29 1.190 -17.814 6.464 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.014 -18.239 7.218 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.462 -16.999 8.673 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.573 -15.847 7.894 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.177 -15.520 7.918 1.00 0.00 H new ATOM 483 N VAL A 30 2.203 -14.318 5.055 1.00 0.00 N ATOM 484 CA VAL A 30 3.489 -13.749 4.742 1.00 0.00 C ATOM 485 C VAL A 30 4.240 -13.419 6.032 1.00 0.00 C ATOM 486 O VAL A 30 3.828 -12.556 6.798 1.00 0.00 O ATOM 487 CB VAL A 30 3.329 -12.453 3.890 1.00 0.00 C ATOM 488 CG1 VAL A 30 4.568 -12.161 3.054 1.00 0.00 C ATOM 489 CG2 VAL A 30 2.079 -12.489 3.022 1.00 0.00 C ATOM 0 H VAL A 30 1.451 -13.634 5.136 1.00 0.00 H new ATOM 0 HA VAL A 30 4.054 -14.481 4.165 1.00 0.00 H new ATOM 0 HB VAL A 30 3.211 -11.633 4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.411 -11.250 2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.428 -12.031 3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.753 -12.993 2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.009 -11.566 2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.133 -13.338 2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.198 -12.589 3.656 1.00 0.00 H new ATOM 499 N SER A 31 5.274 -14.154 6.296 1.00 0.00 N ATOM 500 CA SER A 31 6.115 -13.920 7.429 1.00 0.00 C ATOM 501 C SER A 31 7.005 -12.712 7.121 1.00 0.00 C ATOM 502 O SER A 31 7.744 -12.719 6.132 1.00 0.00 O ATOM 503 CB SER A 31 6.958 -15.181 7.705 1.00 0.00 C ATOM 504 OG SER A 31 7.675 -15.110 8.938 1.00 0.00 O ATOM 0 H SER A 31 5.563 -14.946 5.722 1.00 0.00 H new ATOM 0 HA SER A 31 5.524 -13.709 8.320 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.304 -16.053 7.720 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.664 -15.326 6.887 1.00 0.00 H new ATOM 0 HG SER A 31 8.191 -15.934 9.065 1.00 0.00 H new ATOM 510 N GLY A 32 6.892 -11.671 7.919 1.00 0.00 N ATOM 511 CA GLY A 32 7.717 -10.499 7.716 1.00 0.00 C ATOM 512 C GLY A 32 7.016 -9.409 6.938 1.00 0.00 C ATOM 513 O GLY A 32 7.666 -8.531 6.360 1.00 0.00 O ATOM 0 H GLY A 32 6.245 -11.612 8.705 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.024 -10.106 8.685 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.625 -10.788 7.187 1.00 0.00 H new ATOM 517 N ILE A 33 5.708 -9.462 6.899 1.00 0.00 N ATOM 518 CA ILE A 33 4.941 -8.446 6.233 1.00 0.00 C ATOM 519 C ILE A 33 4.348 -7.542 7.289 1.00 0.00 C ATOM 520 O ILE A 33 4.101 -7.994 8.412 1.00 0.00 O ATOM 521 CB ILE A 33 3.785 -9.082 5.367 1.00 0.00 C ATOM 522 CG1 ILE A 33 3.178 -8.050 4.412 1.00 0.00 C ATOM 523 CG2 ILE A 33 2.669 -9.690 6.246 1.00 0.00 C ATOM 524 CD1 ILE A 33 2.188 -8.659 3.425 1.00 0.00 C ATOM 0 H ILE A 33 5.152 -10.204 7.324 1.00 0.00 H new ATOM 0 HA ILE A 33 5.589 -7.885 5.560 1.00 0.00 H new ATOM 0 HB ILE A 33 4.239 -9.885 4.786 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.674 -7.278 4.993 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.979 -7.560 3.859 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.895 -10.116 5.608 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.089 -10.472 6.878 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.235 -8.911 6.873 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.793 -7.877 2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.694 -9.411 2.820 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.368 -9.125 3.972 1.00 0.00 H new ATOM 536 N ASP A 34 4.171 -6.288 6.989 1.00 0.00 N ATOM 537 CA ASP A 34 3.416 -5.465 7.892 1.00 0.00 C ATOM 538 C ASP A 34 2.017 -5.551 7.433 1.00 0.00 C ATOM 539 O ASP A 34 1.662 -4.917 6.455 1.00 0.00 O ATOM 540 CB ASP A 34 3.810 -3.998 7.926 1.00 0.00 C ATOM 541 CG ASP A 34 3.007 -3.296 9.009 1.00 0.00 C ATOM 542 OD1 ASP A 34 3.058 -3.740 10.198 1.00 0.00 O ATOM 543 OD2 ASP A 34 2.300 -2.344 8.699 1.00 0.00 O ATOM 0 H ASP A 34 4.526 -5.823 6.154 1.00 0.00 H new ATOM 0 HA ASP A 34 3.596 -5.833 8.902 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.877 -3.899 8.125 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.622 -3.535 6.957 1.00 0.00 H new ATOM 548 N LYS A 35 1.221 -6.339 8.119 1.00 0.00 N ATOM 549 CA LYS A 35 -0.121 -6.642 7.688 1.00 0.00 C ATOM 550 C LYS A 35 -1.014 -5.384 7.659 1.00 0.00 C ATOM 551 O LYS A 35 -1.999 -5.322 6.913 1.00 0.00 O ATOM 552 CB LYS A 35 -0.736 -7.714 8.579 1.00 0.00 C ATOM 553 CG LYS A 35 -1.963 -8.380 7.962 1.00 0.00 C ATOM 554 CD LYS A 35 -2.658 -9.334 8.926 1.00 0.00 C ATOM 555 CE LYS A 35 -3.216 -8.612 10.149 1.00 0.00 C ATOM 556 NZ LYS A 35 -3.915 -9.526 11.075 1.00 0.00 N ATOM 0 H LYS A 35 1.489 -6.789 8.995 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.060 -7.022 6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.015 -8.476 8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.015 -7.268 9.533 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.668 -7.612 7.645 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.664 -8.927 7.068 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.469 -9.846 8.407 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.953 -10.100 9.249 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.401 -8.117 10.678 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.905 -7.832 9.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.275 -8.987 11.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.710 -9.980 10.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.253 -10.255 11.408 1.00 0.00 H new ATOM 570 N ASN A 36 -0.633 -4.374 8.427 1.00 0.00 N ATOM 571 CA ASN A 36 -1.388 -3.146 8.522 1.00 0.00 C ATOM 572 C ASN A 36 -1.186 -2.309 7.267 1.00 0.00 C ATOM 573 O ASN A 36 -2.069 -1.547 6.875 1.00 0.00 O ATOM 574 CB ASN A 36 -0.935 -2.296 9.725 1.00 0.00 C ATOM 575 CG ASN A 36 -0.787 -3.042 11.027 1.00 0.00 C ATOM 576 OD1 ASN A 36 -1.749 -3.247 11.765 1.00 0.00 O ATOM 577 ND2 ASN A 36 0.424 -3.381 11.364 1.00 0.00 N ATOM 0 H ASN A 36 0.210 -4.389 9.000 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.435 -3.423 8.643 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.021 -1.833 9.481 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.653 -1.489 9.868 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.596 -3.831 12.263 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.201 -3.197 10.729 1.00 0.00 H new ATOM 584 N ALA A 37 -0.039 -2.500 6.601 1.00 0.00 N ATOM 585 CA ALA A 37 0.359 -1.663 5.477 1.00 0.00 C ATOM 586 C ALA A 37 -0.307 -2.077 4.194 1.00 0.00 C ATOM 587 O ALA A 37 -0.143 -1.420 3.169 1.00 0.00 O ATOM 588 CB ALA A 37 1.861 -1.691 5.318 1.00 0.00 C ATOM 0 H ALA A 37 0.630 -3.235 6.829 1.00 0.00 H new ATOM 0 HA ALA A 37 0.033 -0.646 5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.149 -1.063 4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.330 -1.316 6.228 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.189 -2.715 5.136 1.00 0.00 H new ATOM 594 N LEU A 38 -1.057 -3.156 4.259 1.00 0.00 N ATOM 595 CA LEU A 38 -1.739 -3.692 3.103 1.00 0.00 C ATOM 596 C LEU A 38 -2.988 -2.944 2.808 1.00 0.00 C ATOM 597 O LEU A 38 -3.403 -2.901 1.686 1.00 0.00 O ATOM 598 CB LEU A 38 -2.074 -5.182 3.238 1.00 0.00 C ATOM 599 CG LEU A 38 -0.934 -6.181 3.110 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.030 -6.048 4.202 1.00 0.00 C ATOM 601 CD2 LEU A 38 -1.458 -7.572 3.062 1.00 0.00 C ATOM 0 H LEU A 38 -1.211 -3.686 5.117 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.036 -3.575 2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.543 -5.333 4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.820 -5.427 2.482 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.416 -5.962 2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.828 -6.779 4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.453 -5.043 4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.472 -6.222 5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.627 -8.271 2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.011 -7.784 3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.121 -7.682 2.204 1.00 0.00 H new ATOM 613 N ASP A 39 -3.592 -2.351 3.814 1.00 0.00 N ATOM 614 CA ASP A 39 -4.808 -1.608 3.593 1.00 0.00 C ATOM 615 C ASP A 39 -4.461 -0.184 3.234 1.00 0.00 C ATOM 616 O ASP A 39 -4.468 0.721 4.057 1.00 0.00 O ATOM 617 CB ASP A 39 -5.740 -1.700 4.780 1.00 0.00 C ATOM 618 CG ASP A 39 -7.023 -0.916 4.587 1.00 0.00 C ATOM 619 OD1 ASP A 39 -7.683 -1.032 3.525 1.00 0.00 O ATOM 620 OD2 ASP A 39 -7.421 -0.205 5.503 1.00 0.00 O ATOM 0 H ASP A 39 -3.265 -2.369 4.780 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.353 -2.047 2.757 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.984 -2.746 4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.226 -1.332 5.668 1.00 0.00 H new ATOM 625 N ILE A 40 -4.085 -0.039 2.004 1.00 0.00 N ATOM 626 CA ILE A 40 -3.568 1.174 1.459 1.00 0.00 C ATOM 627 C ILE A 40 -4.649 2.223 1.246 1.00 0.00 C ATOM 628 O ILE A 40 -4.438 3.408 1.522 1.00 0.00 O ATOM 629 CB ILE A 40 -2.762 0.877 0.166 1.00 0.00 C ATOM 630 CG1 ILE A 40 -1.681 -0.147 0.501 1.00 0.00 C ATOM 631 CG2 ILE A 40 -2.113 2.151 -0.371 1.00 0.00 C ATOM 632 CD1 ILE A 40 -1.049 -0.803 -0.684 1.00 0.00 C ATOM 0 H ILE A 40 -4.132 -0.796 1.323 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.884 1.608 2.189 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.433 0.489 -0.600 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.903 0.345 1.084 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.116 -0.918 1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.553 1.920 -1.277 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.886 2.885 -0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.436 2.559 0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.294 -1.514 -0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.812 -1.329 -1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.580 -0.046 -1.312 1.00 0.00 H new ATOM 644 N ASN A 41 -5.825 1.797 0.829 1.00 0.00 N ATOM 645 CA ASN A 41 -6.896 2.761 0.570 1.00 0.00 C ATOM 646 C ASN A 41 -7.624 3.131 1.877 1.00 0.00 C ATOM 647 O ASN A 41 -8.499 4.017 1.893 1.00 0.00 O ATOM 648 CB ASN A 41 -7.886 2.253 -0.502 1.00 0.00 C ATOM 649 CG ASN A 41 -8.855 1.194 -0.017 1.00 0.00 C ATOM 650 OD1 ASN A 41 -8.574 0.423 0.889 1.00 0.00 O ATOM 651 ND2 ASN A 41 -9.986 1.125 -0.634 1.00 0.00 N ATOM 0 H ASN A 41 -6.068 0.820 0.664 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.435 3.664 0.170 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.456 3.101 -0.882 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.318 1.850 -1.340 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.669 0.415 -0.369 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.197 1.780 -1.387 1.00 0.00 H new ATOM 658 N GLY A 42 -7.245 2.446 2.958 1.00 0.00 N ATOM 659 CA GLY A 42 -7.787 2.709 4.281 1.00 0.00 C ATOM 660 C GLY A 42 -9.268 2.373 4.442 1.00 0.00 C ATOM 661 O GLY A 42 -10.052 3.232 4.857 1.00 0.00 O ATOM 0 H GLY A 42 -6.554 1.696 2.935 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.217 2.137 5.013 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.640 3.763 4.516 1.00 0.00 H new ATOM 665 N ASP A 43 -9.645 1.138 4.159 1.00 0.00 N ATOM 666 CA ASP A 43 -11.050 0.712 4.307 1.00 0.00 C ATOM 667 C ASP A 43 -11.195 -0.285 5.438 1.00 0.00 C ATOM 668 O ASP A 43 -12.311 -0.653 5.822 1.00 0.00 O ATOM 669 CB ASP A 43 -11.700 0.161 2.993 1.00 0.00 C ATOM 670 CG ASP A 43 -10.990 -1.021 2.353 1.00 0.00 C ATOM 671 OD1 ASP A 43 -10.500 -1.900 3.017 1.00 0.00 O ATOM 672 OD2 ASP A 43 -10.868 -1.079 1.129 1.00 0.00 O ATOM 0 H ASP A 43 -9.014 0.409 3.827 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.605 1.619 4.549 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.727 -0.131 3.212 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.747 0.971 2.265 1.00 0.00 H new ATOM 677 N GLY A 44 -10.070 -0.725 5.966 1.00 0.00 N ATOM 678 CA GLY A 44 -10.070 -1.631 7.073 1.00 0.00 C ATOM 679 C GLY A 44 -9.846 -3.070 6.660 1.00 0.00 C ATOM 680 O GLY A 44 -9.700 -3.946 7.515 1.00 0.00 O ATOM 0 H GLY A 44 -9.142 -0.461 5.635 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.292 -1.336 7.777 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.022 -1.554 7.599 1.00 0.00 H new ATOM 684 N ALA A 45 -9.823 -3.328 5.366 1.00 0.00 N ATOM 685 CA ALA A 45 -9.659 -4.675 4.860 1.00 0.00 C ATOM 686 C ALA A 45 -8.645 -4.726 3.727 1.00 0.00 C ATOM 687 O ALA A 45 -8.467 -3.762 2.988 1.00 0.00 O ATOM 688 CB ALA A 45 -10.990 -5.211 4.382 1.00 0.00 C ATOM 0 H ALA A 45 -9.917 -2.615 4.642 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.285 -5.296 5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.859 -6.224 4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.697 -5.222 5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.375 -4.573 3.587 1.00 0.00 H new ATOM 694 N VAL A 46 -8.000 -5.843 3.586 1.00 0.00 N ATOM 695 CA VAL A 46 -7.030 -6.040 2.566 1.00 0.00 C ATOM 696 C VAL A 46 -7.728 -6.601 1.332 1.00 0.00 C ATOM 697 O VAL A 46 -8.187 -7.752 1.327 1.00 0.00 O ATOM 698 CB VAL A 46 -5.938 -7.001 3.044 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.909 -7.155 1.986 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.303 -6.506 4.334 1.00 0.00 C ATOM 0 H VAL A 46 -8.139 -6.654 4.189 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.556 -5.089 2.321 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.392 -7.971 3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.133 -7.840 2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.372 -7.555 1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.465 -6.184 1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.531 -7.207 4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.857 -5.526 4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.066 -6.430 5.109 1.00 0.00 H new ATOM 710 N ASN A 47 -7.868 -5.764 0.346 1.00 0.00 N ATOM 711 CA ASN A 47 -8.572 -6.074 -0.877 1.00 0.00 C ATOM 712 C ASN A 47 -7.826 -5.579 -2.114 1.00 0.00 C ATOM 713 O ASN A 47 -6.773 -4.949 -2.001 1.00 0.00 O ATOM 714 CB ASN A 47 -10.037 -5.570 -0.797 1.00 0.00 C ATOM 715 CG ASN A 47 -10.207 -4.178 -0.167 1.00 0.00 C ATOM 716 OD1 ASN A 47 -9.413 -3.248 -0.378 1.00 0.00 O ATOM 717 ND2 ASN A 47 -11.186 -4.055 0.685 1.00 0.00 N ATOM 0 H ASN A 47 -7.487 -4.818 0.365 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.611 -7.158 -0.987 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.455 -5.551 -1.803 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.622 -6.287 -0.222 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.312 -3.180 1.195 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.826 -4.833 0.842 1.00 0.00 H new ATOM 724 N GLY A 48 -8.382 -5.851 -3.299 1.00 0.00 N ATOM 725 CA GLY A 48 -7.733 -5.471 -4.558 1.00 0.00 C ATOM 726 C GLY A 48 -7.659 -3.974 -4.770 1.00 0.00 C ATOM 727 O GLY A 48 -6.883 -3.501 -5.585 1.00 0.00 O ATOM 0 H GLY A 48 -9.275 -6.330 -3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.724 -5.883 -4.577 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.277 -5.921 -5.388 1.00 0.00 H new ATOM 731 N ARG A 49 -8.480 -3.239 -4.035 1.00 0.00 N ATOM 732 CA ARG A 49 -8.457 -1.779 -4.036 1.00 0.00 C ATOM 733 C ARG A 49 -7.106 -1.294 -3.588 1.00 0.00 C ATOM 734 O ARG A 49 -6.536 -0.384 -4.168 1.00 0.00 O ATOM 735 CB ARG A 49 -9.493 -1.259 -3.065 1.00 0.00 C ATOM 736 CG ARG A 49 -10.934 -1.428 -3.495 1.00 0.00 C ATOM 737 CD ARG A 49 -11.370 -0.334 -4.471 1.00 0.00 C ATOM 738 NE ARG A 49 -10.629 -0.344 -5.745 1.00 0.00 N ATOM 739 CZ ARG A 49 -10.272 0.757 -6.436 1.00 0.00 C ATOM 740 NH1 ARG A 49 -10.539 1.975 -5.963 1.00 0.00 N ATOM 741 NH2 ARG A 49 -9.636 0.632 -7.591 1.00 0.00 N ATOM 0 H ARG A 49 -9.186 -3.638 -3.417 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.669 -1.422 -5.044 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.356 -1.765 -2.109 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.305 -0.199 -2.894 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.061 -2.404 -3.963 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.579 -1.409 -2.617 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.434 -0.449 -4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.241 0.638 -3.994 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.367 -1.251 -6.132 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.018 2.081 -5.069 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.264 2.800 -6.495 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.418 -0.295 -7.955 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.365 1.463 -8.116 1.00 0.00 H new ATOM 755 N ASP A 50 -6.591 -1.963 -2.576 1.00 0.00 N ATOM 756 CA ASP A 50 -5.305 -1.651 -1.989 1.00 0.00 C ATOM 757 C ASP A 50 -4.217 -1.981 -2.955 1.00 0.00 C ATOM 758 O ASP A 50 -3.272 -1.242 -3.094 1.00 0.00 O ATOM 759 CB ASP A 50 -5.090 -2.450 -0.735 1.00 0.00 C ATOM 760 CG ASP A 50 -6.170 -2.267 0.261 1.00 0.00 C ATOM 761 OD1 ASP A 50 -6.405 -1.154 0.718 1.00 0.00 O ATOM 762 OD2 ASP A 50 -6.869 -3.220 0.613 1.00 0.00 O ATOM 0 H ASP A 50 -7.062 -2.751 -2.132 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.287 -0.588 -1.749 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.016 -3.507 -0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.138 -2.164 -0.287 1.00 0.00 H new ATOM 767 N LEU A 51 -4.387 -3.097 -3.643 1.00 0.00 N ATOM 768 CA LEU A 51 -3.463 -3.543 -4.685 1.00 0.00 C ATOM 769 C LEU A 51 -3.371 -2.493 -5.770 1.00 0.00 C ATOM 770 O LEU A 51 -2.287 -2.135 -6.206 1.00 0.00 O ATOM 771 CB LEU A 51 -3.930 -4.884 -5.277 1.00 0.00 C ATOM 772 CG LEU A 51 -3.236 -5.376 -6.570 1.00 0.00 C ATOM 773 CD1 LEU A 51 -1.740 -5.613 -6.377 1.00 0.00 C ATOM 774 CD2 LEU A 51 -3.900 -6.640 -7.049 1.00 0.00 C ATOM 0 H LEU A 51 -5.175 -3.728 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.476 -3.687 -4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.801 -5.651 -4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.999 -4.809 -5.477 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.341 -4.590 -7.318 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.302 -5.957 -7.314 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.261 -4.683 -6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.588 -6.369 -5.606 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.411 -6.986 -7.960 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.819 -7.408 -6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.952 -6.443 -7.255 1.00 0.00 H new ATOM 786 N MET A 52 -4.515 -1.977 -6.163 1.00 0.00 N ATOM 787 CA MET A 52 -4.578 -0.947 -7.176 1.00 0.00 C ATOM 788 C MET A 52 -3.939 0.349 -6.700 1.00 0.00 C ATOM 789 O MET A 52 -3.330 1.077 -7.492 1.00 0.00 O ATOM 790 CB MET A 52 -5.999 -0.715 -7.658 1.00 0.00 C ATOM 791 CG MET A 52 -6.594 -1.914 -8.370 1.00 0.00 C ATOM 792 SD MET A 52 -8.102 -1.519 -9.276 1.00 0.00 S ATOM 793 CE MET A 52 -7.420 -0.454 -10.548 1.00 0.00 C ATOM 0 H MET A 52 -5.423 -2.258 -5.792 1.00 0.00 H new ATOM 0 HA MET A 52 -4.000 -1.305 -8.028 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.627 -0.459 -6.805 1.00 0.00 H new ATOM 0 HB3 MET A 52 -6.011 0.142 -8.332 1.00 0.00 H new ATOM 0 HG2 MET A 52 -5.857 -2.321 -9.062 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.809 -2.693 -7.639 1.00 0.00 H new ATOM 0 HE1 MET A 52 -8.069 -0.471 -11.423 1.00 0.00 H new ATOM 0 HE2 MET A 52 -7.348 0.565 -10.169 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.427 -0.809 -10.826 1.00 0.00 H new ATOM 803 N GLU A 53 -4.076 0.636 -5.421 1.00 0.00 N ATOM 804 CA GLU A 53 -3.421 1.779 -4.820 1.00 0.00 C ATOM 805 C GLU A 53 -1.921 1.568 -4.792 1.00 0.00 C ATOM 806 O GLU A 53 -1.169 2.482 -5.043 1.00 0.00 O ATOM 807 CB GLU A 53 -3.924 2.042 -3.407 1.00 0.00 C ATOM 808 CG GLU A 53 -5.347 2.566 -3.328 1.00 0.00 C ATOM 809 CD GLU A 53 -5.549 3.830 -4.139 1.00 0.00 C ATOM 810 OE1 GLU A 53 -5.016 4.901 -3.771 1.00 0.00 O ATOM 811 OE2 GLU A 53 -6.262 3.779 -5.156 1.00 0.00 O ATOM 0 H GLU A 53 -4.641 0.087 -4.773 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.660 2.649 -5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.860 1.117 -2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.259 2.760 -2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.033 1.797 -3.683 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.600 2.763 -2.286 1.00 0.00 H new ATOM 818 N LEU A 54 -1.511 0.354 -4.510 1.00 0.00 N ATOM 819 CA LEU A 54 -0.111 -0.019 -4.454 1.00 0.00 C ATOM 820 C LEU A 54 0.551 0.147 -5.815 1.00 0.00 C ATOM 821 O LEU A 54 1.642 0.708 -5.917 1.00 0.00 O ATOM 822 CB LEU A 54 0.020 -1.450 -3.975 1.00 0.00 C ATOM 823 CG LEU A 54 1.429 -1.934 -3.677 1.00 0.00 C ATOM 824 CD1 LEU A 54 2.121 -0.993 -2.710 1.00 0.00 C ATOM 825 CD2 LEU A 54 1.369 -3.318 -3.094 1.00 0.00 C ATOM 0 H LEU A 54 -2.148 -0.417 -4.309 1.00 0.00 H new ATOM 0 HA LEU A 54 0.396 0.641 -3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.579 -1.565 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.414 -2.105 -4.731 1.00 0.00 H new ATOM 0 HG LEU A 54 2.001 -1.954 -4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.129 -1.355 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.175 0.004 -3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.557 -0.950 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.379 -3.667 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.788 -3.299 -2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.896 -3.993 -3.807 1.00 0.00 H new ATOM 837 N ILE A 55 -0.123 -0.342 -6.843 1.00 0.00 N ATOM 838 CA ILE A 55 0.310 -0.178 -8.237 1.00 0.00 C ATOM 839 C ILE A 55 0.459 1.306 -8.521 1.00 0.00 C ATOM 840 O ILE A 55 1.487 1.730 -8.973 1.00 0.00 O ATOM 841 CB ILE A 55 -0.711 -0.826 -9.229 1.00 0.00 C ATOM 842 CG1 ILE A 55 -0.841 -2.340 -8.944 1.00 0.00 C ATOM 843 CG2 ILE A 55 -0.291 -0.587 -10.690 1.00 0.00 C ATOM 844 CD1 ILE A 55 -1.941 -3.045 -9.730 1.00 0.00 C ATOM 0 H ILE A 55 -0.991 -0.868 -6.742 1.00 0.00 H new ATOM 0 HA ILE A 55 1.264 -0.685 -8.380 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.682 -0.354 -9.078 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.111 -2.821 -9.167 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.027 -2.481 -7.879 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.019 -1.048 -11.358 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.247 0.484 -10.885 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.691 -1.028 -10.863 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.957 -4.102 -9.465 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.905 -2.596 -9.490 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.749 -2.942 -10.798 1.00 0.00 H new ATOM 856 N LYS A 56 -0.559 2.071 -8.157 1.00 0.00 N ATOM 857 CA LYS A 56 -0.580 3.539 -8.264 1.00 0.00 C ATOM 858 C LYS A 56 0.658 4.190 -7.607 1.00 0.00 C ATOM 859 O LYS A 56 1.297 5.060 -8.216 1.00 0.00 O ATOM 860 CB LYS A 56 -1.880 4.036 -7.618 1.00 0.00 C ATOM 861 CG LYS A 56 -1.916 5.477 -7.122 1.00 0.00 C ATOM 862 CD LYS A 56 -3.263 5.733 -6.483 1.00 0.00 C ATOM 863 CE LYS A 56 -3.359 7.082 -5.822 1.00 0.00 C ATOM 864 NZ LYS A 56 -4.683 7.262 -5.192 1.00 0.00 N ATOM 0 H LYS A 56 -1.420 1.687 -7.768 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.544 3.827 -9.315 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.685 3.910 -8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.106 3.384 -6.774 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.116 5.649 -6.402 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.753 6.167 -7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.040 5.652 -7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.460 4.958 -5.742 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.576 7.180 -5.070 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.192 7.867 -6.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.615 7.977 -4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.368 7.576 -5.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.999 6.359 -4.784 1.00 0.00 H new ATOM 878 N LYS A 57 0.986 3.739 -6.401 1.00 0.00 N ATOM 879 CA LYS A 57 2.126 4.239 -5.635 1.00 0.00 C ATOM 880 C LYS A 57 3.433 3.991 -6.370 1.00 0.00 C ATOM 881 O LYS A 57 4.183 4.917 -6.653 1.00 0.00 O ATOM 882 CB LYS A 57 2.190 3.557 -4.257 1.00 0.00 C ATOM 883 CG LYS A 57 0.978 3.769 -3.344 1.00 0.00 C ATOM 884 CD LYS A 57 0.692 5.235 -3.054 1.00 0.00 C ATOM 885 CE LYS A 57 1.867 5.897 -2.335 1.00 0.00 C ATOM 886 NZ LYS A 57 1.576 7.282 -1.937 1.00 0.00 N ATOM 0 H LYS A 57 0.462 3.007 -5.921 1.00 0.00 H new ATOM 0 HA LYS A 57 1.988 5.313 -5.508 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.321 2.486 -4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.078 3.916 -3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.100 3.319 -3.807 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.145 3.245 -2.403 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.491 5.760 -3.988 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.206 5.319 -2.442 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.122 5.314 -1.450 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.741 5.886 -2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.404 7.686 -1.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.359 7.848 -2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.759 7.294 -1.293 1.00 0.00 H new ATOM 900 N VAL A 58 3.665 2.745 -6.706 1.00 0.00 N ATOM 901 CA VAL A 58 4.887 2.305 -7.371 1.00 0.00 C ATOM 902 C VAL A 58 4.957 2.806 -8.832 1.00 0.00 C ATOM 903 O VAL A 58 6.044 2.989 -9.403 1.00 0.00 O ATOM 904 CB VAL A 58 4.954 0.769 -7.287 1.00 0.00 C ATOM 905 CG1 VAL A 58 6.193 0.192 -7.967 1.00 0.00 C ATOM 906 CG2 VAL A 58 4.915 0.356 -5.828 1.00 0.00 C ATOM 0 H VAL A 58 3.004 1.989 -6.526 1.00 0.00 H new ATOM 0 HA VAL A 58 5.753 2.735 -6.868 1.00 0.00 H new ATOM 0 HB VAL A 58 4.094 0.367 -7.822 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.186 -0.894 -7.876 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.191 0.467 -9.022 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.089 0.590 -7.490 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.962 -0.731 -5.756 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.766 0.791 -5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.989 0.710 -5.374 1.00 0.00 H new