USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 497 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 37 ASN : amide:sc= -0.757 K(o=-0.76,f=-1.8) USER MOD Set 1.2: A 42 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 13 LYS NZ :NH3+ 157:sc= -0.556 (180deg=-1.55!) USER MOD Set 2.2: A 54 ASN : amide:sc= -5.21! C(o=-5.8!,f=-24!) USER MOD Set 3.1: A 5 ASN : amide:sc= -3.79! C(o=-4.4!,f=-16!) USER MOD Set 3.2: A 40 ASN : amide:sc= -0.611 K(o=-4.4,f=-8!) USER MOD Single : A 7 LYS NZ :NH3+ 133:sc= -0.418 (180deg=-2.39!) USER MOD Single : A 12 LYS NZ :NH3+ 139:sc= -0.974 (180deg=-1.57) USER MOD Single : A 14 LYS NZ :NH3+ 145:sc= 0.691 (180deg=-0.525!) USER MOD Single : A 16 SER OG : rot 98:sc= 1.06 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 108:sc= 0.259 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -1.28! C(o=-1.3!,f=-10!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0814 USER MOD Single : A 32 ASN : amide:sc= 0.0855! C(o=0.086!,f=-8.7!) USER MOD Single : A 36 LYS NZ :NH3+ 161:sc= -0.0619 (180deg=-0.547) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= -0.0387 (180deg=-0.457) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc=-0.00533 (180deg=-0.165) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 170:sc= -1.93! USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 -6.683 -3.770 9.201 1.00 0.00 N ATOM 71 CA ASN A 5 -5.244 -3.627 9.381 1.00 0.00 C ATOM 72 C ASN A 5 -4.487 -4.361 8.298 1.00 0.00 C ATOM 73 O ASN A 5 -5.021 -5.265 7.655 1.00 0.00 O ATOM 74 CB ASN A 5 -4.821 -4.116 10.775 1.00 0.00 C ATOM 75 CG ASN A 5 -3.302 -4.016 10.965 1.00 0.00 C ATOM 76 OD1 ASN A 5 -2.541 -4.767 10.346 1.00 0.00 O ATOM 77 ND2 ASN A 5 -2.811 -3.144 11.788 1.00 0.00 N ATOM 0 HA ASN A 5 -4.996 -2.569 9.302 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.325 -3.523 11.539 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -5.139 -5.149 10.912 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -1.802 -3.081 11.922 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.434 -2.521 12.302 1.00 0.00 H new ATOM 84 N LEU A 6 -3.236 -3.994 8.122 1.00 0.00 N ATOM 85 CA LEU A 6 -2.393 -4.588 7.105 1.00 0.00 C ATOM 86 C LEU A 6 -2.277 -6.083 7.318 1.00 0.00 C ATOM 87 O LEU A 6 -2.202 -6.845 6.345 1.00 0.00 O ATOM 88 CB LEU A 6 -0.999 -3.951 7.120 1.00 0.00 C ATOM 89 CG LEU A 6 -1.090 -2.487 6.664 1.00 0.00 C ATOM 90 CD1 LEU A 6 0.255 -1.797 6.893 1.00 0.00 C ATOM 91 CD2 LEU A 6 -1.434 -2.432 5.169 1.00 0.00 C ATOM 0 H LEU A 6 -2.774 -3.276 8.679 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.853 -4.404 6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.576 -4.003 8.123 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.329 -4.505 6.463 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.867 -1.981 7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.191 -0.758 6.569 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.506 -1.832 7.953 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.028 -2.308 6.320 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.498 -1.392 4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.657 -2.941 4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.391 -2.924 4.998 1.00 0.00 H new ATOM 103 N LYS A 7 -2.287 -6.515 8.575 1.00 0.00 N ATOM 104 CA LYS A 7 -2.227 -7.944 8.853 1.00 0.00 C ATOM 105 C LYS A 7 -3.164 -8.689 7.917 1.00 0.00 C ATOM 106 O LYS A 7 -2.870 -9.806 7.483 1.00 0.00 O ATOM 107 CB LYS A 7 -2.616 -8.271 10.304 1.00 0.00 C ATOM 108 CG LYS A 7 -3.948 -7.596 10.685 1.00 0.00 C ATOM 109 CD LYS A 7 -4.566 -8.326 11.887 1.00 0.00 C ATOM 110 CE LYS A 7 -5.869 -7.633 12.315 1.00 0.00 C ATOM 111 NZ LYS A 7 -5.544 -6.383 13.058 1.00 0.00 N ATOM 0 H LYS A 7 -2.335 -5.914 9.397 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.195 -8.259 8.698 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.703 -9.351 10.426 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.829 -7.937 10.979 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.780 -6.547 10.930 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.635 -7.619 9.839 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.767 -9.365 11.627 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.861 -8.336 12.718 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.475 -7.401 11.439 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.459 -8.300 12.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.127 -5.602 12.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.739 -6.520 14.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.538 -6.153 12.927 1.00 0.00 H new ATOM 125 N LEU A 8 -4.305 -8.071 7.644 1.00 0.00 N ATOM 126 CA LEU A 8 -5.323 -8.672 6.809 1.00 0.00 C ATOM 127 C LEU A 8 -4.782 -8.880 5.404 1.00 0.00 C ATOM 128 O LEU A 8 -5.028 -9.909 4.782 1.00 0.00 O ATOM 129 CB LEU A 8 -6.539 -7.745 6.736 1.00 0.00 C ATOM 130 CG LEU A 8 -7.185 -7.597 8.126 1.00 0.00 C ATOM 131 CD1 LEU A 8 -8.328 -6.582 8.055 1.00 0.00 C ATOM 132 CD2 LEU A 8 -7.721 -8.951 8.618 1.00 0.00 C ATOM 0 H LEU A 8 -4.545 -7.144 7.995 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.611 -9.632 7.238 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.237 -6.767 6.362 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.267 -8.145 6.030 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.429 -7.246 8.829 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.784 -6.478 9.039 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.938 -5.617 7.732 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.077 -6.927 7.342 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.174 -8.827 9.602 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.469 -9.322 7.918 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.900 -9.665 8.684 1.00 0.00 H new ATOM 144 N ILE A 9 -4.057 -7.894 4.897 1.00 0.00 N ATOM 145 CA ILE A 9 -3.491 -7.999 3.566 1.00 0.00 C ATOM 146 C ILE A 9 -2.160 -8.738 3.529 1.00 0.00 C ATOM 147 O ILE A 9 -1.804 -9.329 2.505 1.00 0.00 O ATOM 148 CB ILE A 9 -3.480 -6.660 2.802 1.00 0.00 C ATOM 149 CG1 ILE A 9 -2.769 -5.562 3.591 1.00 0.00 C ATOM 150 CG2 ILE A 9 -4.917 -6.214 2.512 1.00 0.00 C ATOM 151 CD1 ILE A 9 -2.667 -4.315 2.701 1.00 0.00 C ATOM 0 H ILE A 9 -3.850 -7.022 5.383 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.178 -8.637 3.009 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.937 -6.820 1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.320 -5.333 4.503 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.776 -5.895 3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.902 -5.267 1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.417 -6.970 1.906 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.455 -6.088 3.451 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.162 -3.519 3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.100 -4.555 1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.667 -3.985 2.421 1.00 0.00 H new ATOM 163 N ARG A 10 -1.461 -8.797 4.662 1.00 0.00 N ATOM 164 CA ARG A 10 -0.211 -9.549 4.688 1.00 0.00 C ATOM 165 C ARG A 10 -0.489 -11.004 4.364 1.00 0.00 C ATOM 166 O ARG A 10 0.227 -11.622 3.568 1.00 0.00 O ATOM 167 CB ARG A 10 0.493 -9.471 6.047 1.00 0.00 C ATOM 168 CG ARG A 10 1.077 -8.072 6.286 1.00 0.00 C ATOM 169 CD ARG A 10 2.017 -8.139 7.495 1.00 0.00 C ATOM 170 NE ARG A 10 1.293 -8.539 8.700 1.00 0.00 N ATOM 171 CZ ARG A 10 1.054 -7.695 9.701 1.00 0.00 C ATOM 172 NH1 ARG A 10 1.440 -6.455 9.616 1.00 0.00 N ATOM 173 NH2 ARG A 10 0.432 -8.113 10.761 1.00 0.00 N ATOM 0 H ARG A 10 -1.726 -8.352 5.541 1.00 0.00 H new ATOM 0 HA ARG A 10 0.448 -9.102 3.944 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.213 -9.714 6.841 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.290 -10.214 6.091 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.618 -7.731 5.403 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.278 -7.353 6.467 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.820 -8.849 7.297 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.483 -7.166 7.652 1.00 0.00 H new ATOM 0 HE ARG A 10 0.959 -9.500 8.777 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.927 -6.128 8.781 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.256 -5.810 10.384 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.129 -9.085 10.824 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.247 -7.470 11.531 1.00 0.00 H new ATOM 187 N GLU A 11 -1.568 -11.536 4.926 1.00 0.00 N ATOM 188 CA GLU A 11 -1.962 -12.891 4.612 1.00 0.00 C ATOM 189 C GLU A 11 -2.434 -12.977 3.173 1.00 0.00 C ATOM 190 O GLU A 11 -2.231 -13.987 2.508 1.00 0.00 O ATOM 191 CB GLU A 11 -3.024 -13.428 5.580 1.00 0.00 C ATOM 192 CG GLU A 11 -4.322 -12.627 5.466 1.00 0.00 C ATOM 193 CD GLU A 11 -5.480 -13.433 6.024 1.00 0.00 C ATOM 194 OE1 GLU A 11 -5.306 -14.078 7.033 1.00 0.00 O ATOM 195 OE2 GLU A 11 -6.524 -13.408 5.425 1.00 0.00 O ATOM 0 H GLU A 11 -2.173 -11.053 5.590 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.085 -13.527 4.732 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.220 -14.478 5.365 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.649 -13.377 6.602 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.228 -11.687 6.009 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.513 -12.375 4.423 1.00 0.00 H new ATOM 202 N LYS A 12 -3.061 -11.903 2.687 1.00 0.00 N ATOM 203 CA LYS A 12 -3.516 -11.859 1.308 1.00 0.00 C ATOM 204 C LYS A 12 -2.328 -11.935 0.368 1.00 0.00 C ATOM 205 O LYS A 12 -2.339 -12.705 -0.591 1.00 0.00 O ATOM 206 CB LYS A 12 -4.314 -10.583 1.056 1.00 0.00 C ATOM 207 CG LYS A 12 -5.678 -10.684 1.777 1.00 0.00 C ATOM 208 CD LYS A 12 -6.440 -9.351 1.685 1.00 0.00 C ATOM 209 CE LYS A 12 -6.450 -8.843 0.239 1.00 0.00 C ATOM 210 NZ LYS A 12 -6.824 -9.941 -0.692 1.00 0.00 N ATOM 0 H LYS A 12 -3.261 -11.062 3.228 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.165 -12.715 1.122 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.761 -9.717 1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.465 -10.440 -0.014 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.273 -11.481 1.331 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.524 -10.949 2.823 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.463 -9.484 2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.972 -8.611 2.334 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.156 -8.018 0.141 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.466 -8.454 -0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.468 -9.573 -1.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.967 -10.319 -1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.299 -10.699 -0.162 1.00 0.00 H new ATOM 224 N LYS A 13 -1.261 -11.216 0.701 1.00 0.00 N ATOM 225 CA LYS A 13 -0.035 -11.311 -0.068 1.00 0.00 C ATOM 226 C LYS A 13 0.761 -12.535 0.363 1.00 0.00 C ATOM 227 O LYS A 13 1.806 -12.839 -0.205 1.00 0.00 O ATOM 228 CB LYS A 13 0.795 -10.037 0.052 1.00 0.00 C ATOM 229 CG LYS A 13 -0.094 -8.837 -0.299 1.00 0.00 C ATOM 230 CD LYS A 13 0.747 -7.704 -0.901 1.00 0.00 C ATOM 231 CE LYS A 13 1.111 -8.033 -2.350 1.00 0.00 C ATOM 232 NZ LYS A 13 -0.038 -8.687 -3.033 1.00 0.00 N ATOM 0 H LYS A 13 -1.224 -10.570 1.489 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.296 -11.425 -1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.186 -9.935 1.064 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.653 -10.080 -0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.864 -9.142 -1.007 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.606 -8.482 0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.191 -6.767 -0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.654 -7.562 -0.313 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.387 -7.121 -2.879 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.980 -8.691 -2.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.050 -8.557 -4.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.041 -9.703 -2.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.927 -8.258 -2.705 1.00 0.00 H new ATOM 246 N LYS A 14 0.250 -13.230 1.371 1.00 0.00 N ATOM 247 CA LYS A 14 0.880 -14.438 1.889 1.00 0.00 C ATOM 248 C LYS A 14 2.285 -14.138 2.378 1.00 0.00 C ATOM 249 O LYS A 14 3.267 -14.730 1.904 1.00 0.00 O ATOM 250 CB LYS A 14 0.902 -15.543 0.814 1.00 0.00 C ATOM 251 CG LYS A 14 -0.419 -16.334 0.843 1.00 0.00 C ATOM 252 CD LYS A 14 -1.527 -15.512 0.174 1.00 0.00 C ATOM 253 CE LYS A 14 -1.537 -15.767 -1.335 1.00 0.00 C ATOM 254 NZ LYS A 14 -2.233 -14.654 -2.018 1.00 0.00 N ATOM 0 H LYS A 14 -0.612 -12.973 1.852 1.00 0.00 H new ATOM 0 HA LYS A 14 0.292 -14.796 2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.048 -15.100 -0.171 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.742 -16.215 0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.296 -17.286 0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.694 -16.564 1.872 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.494 -15.776 0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.371 -14.451 0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.516 -15.855 -1.707 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.037 -16.711 -1.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.780 -14.473 -2.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.230 -14.908 -2.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.178 -13.798 -1.431 1.00 0.00 H new ATOM 268 N ILE A 15 2.386 -13.202 3.304 1.00 0.00 N ATOM 269 CA ILE A 15 3.673 -12.817 3.836 1.00 0.00 C ATOM 270 C ILE A 15 3.898 -13.505 5.172 1.00 0.00 C ATOM 271 O ILE A 15 3.273 -13.153 6.178 1.00 0.00 O ATOM 272 CB ILE A 15 3.711 -11.294 4.029 1.00 0.00 C ATOM 273 CG1 ILE A 15 3.409 -10.610 2.699 1.00 0.00 C ATOM 274 CG2 ILE A 15 5.102 -10.854 4.508 1.00 0.00 C ATOM 275 CD1 ILE A 15 3.269 -9.107 2.923 1.00 0.00 C ATOM 0 H ILE A 15 1.593 -12.698 3.700 1.00 0.00 H new ATOM 0 HA ILE A 15 4.457 -13.115 3.140 1.00 0.00 H new ATOM 0 HB ILE A 15 2.967 -11.014 4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.208 -10.810 1.985 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.491 -11.012 2.271 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.116 -9.772 4.641 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.330 -11.339 5.457 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.849 -11.138 3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.053 -8.616 1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.455 -8.918 3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.199 -8.712 3.333 1.00 0.00 H new ATOM 287 N SER A 16 4.828 -14.425 5.190 1.00 0.00 N ATOM 288 CA SER A 16 5.201 -15.107 6.404 1.00 0.00 C ATOM 289 C SER A 16 6.275 -14.300 7.111 1.00 0.00 C ATOM 290 O SER A 16 6.762 -13.297 6.569 1.00 0.00 O ATOM 291 CB SER A 16 5.725 -16.505 6.064 1.00 0.00 C ATOM 292 OG SER A 16 4.895 -17.075 5.049 1.00 0.00 O ATOM 0 H SER A 16 5.348 -14.723 4.365 1.00 0.00 H new ATOM 0 HA SER A 16 4.335 -15.207 7.059 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.757 -16.447 5.719 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.721 -17.136 6.953 1.00 0.00 H new ATOM 0 HG SER A 16 5.321 -16.958 4.174 1.00 0.00 H new ATOM 298 N GLN A 17 6.732 -14.783 8.254 1.00 0.00 N ATOM 299 CA GLN A 17 7.821 -14.121 8.946 1.00 0.00 C ATOM 300 C GLN A 17 9.017 -14.064 8.025 1.00 0.00 C ATOM 301 O GLN A 17 9.713 -13.060 7.953 1.00 0.00 O ATOM 302 CB GLN A 17 8.194 -14.873 10.229 1.00 0.00 C ATOM 303 CG GLN A 17 7.070 -14.731 11.252 1.00 0.00 C ATOM 304 CD GLN A 17 7.396 -15.539 12.490 1.00 0.00 C ATOM 305 OE1 GLN A 17 7.993 -15.024 13.436 1.00 0.00 O ATOM 306 NE2 GLN A 17 7.058 -16.780 12.536 1.00 0.00 N ATOM 0 H GLN A 17 6.372 -15.618 8.716 1.00 0.00 H new ATOM 0 HA GLN A 17 7.507 -13.115 9.223 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.367 -15.926 10.008 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.123 -14.476 10.638 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.937 -13.682 11.516 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.129 -15.073 10.821 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.564 -17.203 11.751 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.285 -17.340 13.358 1.00 0.00 H new ATOM 315 N SER A 18 9.203 -15.130 7.269 1.00 0.00 N ATOM 316 CA SER A 18 10.278 -15.206 6.310 1.00 0.00 C ATOM 317 C SER A 18 10.150 -14.102 5.265 1.00 0.00 C ATOM 318 O SER A 18 11.113 -13.387 4.997 1.00 0.00 O ATOM 319 CB SER A 18 10.267 -16.580 5.642 1.00 0.00 C ATOM 320 OG SER A 18 8.911 -17.030 5.521 1.00 0.00 O ATOM 0 H SER A 18 8.614 -15.962 7.305 1.00 0.00 H new ATOM 0 HA SER A 18 11.226 -15.067 6.829 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.734 -16.524 4.659 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.848 -17.290 6.231 1.00 0.00 H new ATOM 0 HG SER A 18 8.634 -16.984 4.582 1.00 0.00 H new ATOM 326 N GLU A 19 8.943 -13.914 4.738 1.00 0.00 N ATOM 327 CA GLU A 19 8.702 -12.847 3.777 1.00 0.00 C ATOM 328 C GLU A 19 8.849 -11.495 4.445 1.00 0.00 C ATOM 329 O GLU A 19 9.490 -10.592 3.906 1.00 0.00 O ATOM 330 CB GLU A 19 7.318 -12.979 3.137 1.00 0.00 C ATOM 331 CG GLU A 19 7.281 -14.218 2.232 1.00 0.00 C ATOM 332 CD GLU A 19 6.980 -15.447 3.045 1.00 0.00 C ATOM 333 OE1 GLU A 19 5.826 -15.726 3.238 1.00 0.00 O ATOM 334 OE2 GLU A 19 7.903 -16.102 3.466 1.00 0.00 O ATOM 0 H GLU A 19 8.125 -14.482 4.959 1.00 0.00 H new ATOM 0 HA GLU A 19 9.446 -12.932 2.985 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.555 -13.060 3.911 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.089 -12.086 2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.523 -14.090 1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.238 -14.335 1.724 1.00 0.00 H new ATOM 341 N LEU A 20 8.334 -11.381 5.660 1.00 0.00 N ATOM 342 CA LEU A 20 8.502 -10.149 6.416 1.00 0.00 C ATOM 343 C LEU A 20 9.981 -9.924 6.667 1.00 0.00 C ATOM 344 O LEU A 20 10.521 -8.851 6.384 1.00 0.00 O ATOM 345 CB LEU A 20 7.735 -10.213 7.742 1.00 0.00 C ATOM 346 CG LEU A 20 7.942 -8.906 8.530 1.00 0.00 C ATOM 347 CD1 LEU A 20 7.477 -7.706 7.698 1.00 0.00 C ATOM 348 CD2 LEU A 20 7.134 -8.955 9.827 1.00 0.00 C ATOM 0 H LEU A 20 7.806 -12.112 6.137 1.00 0.00 H new ATOM 0 HA LEU A 20 8.098 -9.316 5.841 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.673 -10.369 7.551 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.081 -11.062 8.332 1.00 0.00 H new ATOM 0 HG LEU A 20 9.003 -8.799 8.756 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.629 -6.788 8.266 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.052 -7.659 6.773 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.419 -7.815 7.461 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.282 -8.029 10.383 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.076 -9.072 9.592 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.467 -9.799 10.432 1.00 0.00 H new ATOM 360 N ALA A 21 10.659 -10.986 7.065 1.00 0.00 N ATOM 361 CA ALA A 21 12.093 -10.939 7.232 1.00 0.00 C ATOM 362 C ALA A 21 12.742 -10.602 5.899 1.00 0.00 C ATOM 363 O ALA A 21 13.702 -9.837 5.843 1.00 0.00 O ATOM 364 CB ALA A 21 12.619 -12.276 7.761 1.00 0.00 C ATOM 0 H ALA A 21 10.236 -11.889 7.277 1.00 0.00 H new ATOM 0 HA ALA A 21 12.344 -10.168 7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.701 -12.220 7.880 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.159 -12.492 8.725 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.372 -13.069 7.055 1.00 0.00 H new ATOM 370 N ALA A 22 12.162 -11.122 4.819 1.00 0.00 N ATOM 371 CA ALA A 22 12.634 -10.814 3.471 1.00 0.00 C ATOM 372 C ALA A 22 12.483 -9.326 3.204 1.00 0.00 C ATOM 373 O ALA A 22 13.367 -8.684 2.627 1.00 0.00 O ATOM 374 CB ALA A 22 11.854 -11.609 2.418 1.00 0.00 C ATOM 0 H ALA A 22 11.365 -11.758 4.851 1.00 0.00 H new ATOM 0 HA ALA A 22 13.685 -11.096 3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.226 -11.360 1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.985 -12.676 2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.795 -11.357 2.482 1.00 0.00 H new ATOM 380 N LEU A 23 11.386 -8.758 3.681 1.00 0.00 N ATOM 381 CA LEU A 23 11.189 -7.319 3.582 1.00 0.00 C ATOM 382 C LEU A 23 12.265 -6.619 4.402 1.00 0.00 C ATOM 383 O LEU A 23 12.840 -5.611 3.975 1.00 0.00 O ATOM 384 CB LEU A 23 9.793 -6.912 4.090 1.00 0.00 C ATOM 385 CG LEU A 23 8.712 -7.444 3.132 1.00 0.00 C ATOM 386 CD1 LEU A 23 7.324 -7.209 3.732 1.00 0.00 C ATOM 387 CD2 LEU A 23 8.810 -6.722 1.784 1.00 0.00 C ATOM 0 H LEU A 23 10.626 -9.264 4.136 1.00 0.00 H new ATOM 0 HA LEU A 23 11.261 -7.023 2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.631 -7.309 5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.725 -5.827 4.163 1.00 0.00 H new ATOM 0 HG LEU A 23 8.867 -8.513 2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.564 -7.588 3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.247 -7.730 4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.171 -6.141 3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.042 -7.103 1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.664 -5.652 1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.794 -6.897 1.348 1.00 0.00 H new ATOM 399 N LEU A 24 12.552 -7.185 5.572 1.00 0.00 N ATOM 400 CA LEU A 24 13.560 -6.629 6.473 1.00 0.00 C ATOM 401 C LEU A 24 14.986 -6.962 6.031 1.00 0.00 C ATOM 402 O LEU A 24 15.932 -6.770 6.796 1.00 0.00 O ATOM 403 CB LEU A 24 13.324 -7.083 7.928 1.00 0.00 C ATOM 404 CG LEU A 24 12.342 -6.124 8.628 1.00 0.00 C ATOM 405 CD1 LEU A 24 10.985 -6.169 7.941 1.00 0.00 C ATOM 406 CD2 LEU A 24 12.163 -6.541 10.089 1.00 0.00 C ATOM 0 H LEU A 24 12.100 -8.031 5.919 1.00 0.00 H new ATOM 0 HA LEU A 24 13.451 -5.545 6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.925 -8.097 7.941 1.00 0.00 H new ATOM 0 HB3 LEU A 24 14.270 -7.106 8.468 1.00 0.00 H new ATOM 0 HG LEU A 24 12.748 -5.114 8.574 1.00 0.00 H new ATOM 0 HD11 LEU A 24 10.300 -5.487 8.444 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.095 -5.869 6.899 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.587 -7.183 7.987 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.468 -5.860 10.579 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.768 -7.556 10.132 1.00 0.00 H new ATOM 0 HD23 LEU A 24 13.126 -6.505 10.598 1.00 0.00 H new ATOM 418 N GLU A 25 15.154 -7.398 4.787 1.00 0.00 N ATOM 419 CA GLU A 25 16.495 -7.653 4.262 1.00 0.00 C ATOM 420 C GLU A 25 17.312 -6.369 4.172 1.00 0.00 C ATOM 421 O GLU A 25 18.533 -6.410 3.976 1.00 0.00 O ATOM 422 CB GLU A 25 16.459 -8.386 2.927 1.00 0.00 C ATOM 423 CG GLU A 25 16.022 -9.835 3.174 1.00 0.00 C ATOM 424 CD GLU A 25 15.942 -10.619 1.879 1.00 0.00 C ATOM 425 OE1 GLU A 25 16.336 -10.101 0.859 1.00 0.00 O ATOM 426 OE2 GLU A 25 15.517 -11.747 1.924 1.00 0.00 O ATOM 0 H GLU A 25 14.394 -7.580 4.131 1.00 0.00 H new ATOM 0 HA GLU A 25 16.994 -8.313 4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 25 15.767 -7.894 2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.442 -8.363 2.456 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.727 -10.319 3.850 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.050 -9.844 3.667 1.00 0.00 H new ATOM 433 N VAL A 26 16.661 -5.253 4.449 1.00 0.00 N ATOM 434 CA VAL A 26 17.326 -3.963 4.542 1.00 0.00 C ATOM 435 C VAL A 26 17.490 -3.591 6.015 1.00 0.00 C ATOM 436 O VAL A 26 17.194 -4.404 6.902 1.00 0.00 O ATOM 437 CB VAL A 26 16.521 -2.883 3.795 1.00 0.00 C ATOM 438 CG1 VAL A 26 16.582 -3.152 2.288 1.00 0.00 C ATOM 439 CG2 VAL A 26 15.050 -2.910 4.251 1.00 0.00 C ATOM 0 H VAL A 26 15.656 -5.214 4.616 1.00 0.00 H new ATOM 0 HA VAL A 26 18.309 -4.028 4.075 1.00 0.00 H new ATOM 0 HB VAL A 26 16.950 -1.906 4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 26 16.012 -2.388 1.759 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.620 -3.126 1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.157 -4.133 2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 26 14.489 -2.143 3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.620 -3.889 4.037 1.00 0.00 H new ATOM 0 HG23 VAL A 26 14.998 -2.718 5.323 1.00 0.00 H new ATOM 449 N SER A 27 17.989 -2.405 6.279 1.00 0.00 N ATOM 450 CA SER A 27 18.195 -1.978 7.647 1.00 0.00 C ATOM 451 C SER A 27 16.858 -1.833 8.373 1.00 0.00 C ATOM 452 O SER A 27 15.944 -1.174 7.884 1.00 0.00 O ATOM 453 CB SER A 27 18.947 -0.648 7.676 1.00 0.00 C ATOM 454 OG SER A 27 20.074 -0.710 6.789 1.00 0.00 O ATOM 0 H SER A 27 18.259 -1.722 5.571 1.00 0.00 H new ATOM 0 HA SER A 27 18.789 -2.736 8.157 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.282 0.163 7.379 1.00 0.00 H new ATOM 0 HB3 SER A 27 19.282 -0.430 8.690 1.00 0.00 H new ATOM 0 HG SER A 27 20.553 0.145 6.809 1.00 0.00 H new ATOM 460 N ARG A 28 16.792 -2.357 9.583 1.00 0.00 N ATOM 461 CA ARG A 28 15.618 -2.192 10.426 1.00 0.00 C ATOM 462 C ARG A 28 15.514 -0.776 10.956 1.00 0.00 C ATOM 463 O ARG A 28 14.470 -0.376 11.464 1.00 0.00 O ATOM 464 CB ARG A 28 15.604 -3.202 11.578 1.00 0.00 C ATOM 465 CG ARG A 28 14.824 -4.452 11.161 1.00 0.00 C ATOM 466 CD ARG A 28 14.927 -5.509 12.265 1.00 0.00 C ATOM 467 NE ARG A 28 14.512 -4.946 13.556 1.00 0.00 N ATOM 468 CZ ARG A 28 14.587 -5.647 14.692 1.00 0.00 C ATOM 469 NH1 ARG A 28 14.901 -6.917 14.659 1.00 0.00 N ATOM 470 NH2 ARG A 28 14.328 -5.064 15.827 1.00 0.00 N ATOM 0 H ARG A 28 17.541 -2.904 10.008 1.00 0.00 H new ATOM 0 HA ARG A 28 14.746 -2.385 9.802 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.624 -3.472 11.849 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.147 -2.755 12.461 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.779 -4.199 10.981 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.222 -4.847 10.226 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.300 -6.365 12.017 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.952 -5.874 12.333 1.00 0.00 H new ATOM 0 HE ARG A 28 14.156 -3.991 13.587 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.089 -7.373 13.766 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.958 -7.451 15.526 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.069 -4.077 15.846 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.384 -5.594 16.697 1.00 0.00 H new ATOM 484 N GLN A 29 16.627 -0.061 10.923 1.00 0.00 N ATOM 485 CA GLN A 29 16.720 1.281 11.493 1.00 0.00 C ATOM 486 C GLN A 29 15.476 2.111 11.179 1.00 0.00 C ATOM 487 O GLN A 29 15.086 2.969 11.966 1.00 0.00 O ATOM 488 CB GLN A 29 17.974 1.984 10.951 1.00 0.00 C ATOM 489 CG GLN A 29 19.198 1.566 11.781 1.00 0.00 C ATOM 490 CD GLN A 29 19.283 0.046 11.853 1.00 0.00 C ATOM 491 OE1 GLN A 29 19.061 -0.641 10.850 1.00 0.00 O ATOM 492 NE2 GLN A 29 19.566 -0.528 12.977 1.00 0.00 N ATOM 0 H GLN A 29 17.495 -0.392 10.501 1.00 0.00 H new ATOM 0 HA GLN A 29 16.790 1.187 12.577 1.00 0.00 H new ATOM 0 HB2 GLN A 29 18.126 1.723 9.904 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.845 3.065 10.994 1.00 0.00 H new ATOM 0 HG2 GLN A 29 20.106 1.969 11.333 1.00 0.00 H new ATOM 0 HG3 GLN A 29 19.126 1.983 12.786 1.00 0.00 H new ATOM 0 HE21 GLN A 29 19.750 0.037 13.806 1.00 0.00 H new ATOM 0 HE22 GLN A 29 19.606 -1.546 13.034 1.00 0.00 H new ATOM 501 N THR A 30 14.841 1.832 10.061 1.00 0.00 N ATOM 502 CA THR A 30 13.624 2.534 9.696 1.00 0.00 C ATOM 503 C THR A 30 12.413 1.921 10.415 1.00 0.00 C ATOM 504 O THR A 30 11.744 2.582 11.226 1.00 0.00 O ATOM 505 CB THR A 30 13.431 2.456 8.182 1.00 0.00 C ATOM 506 OG1 THR A 30 13.690 1.122 7.748 1.00 0.00 O ATOM 507 CG2 THR A 30 14.395 3.427 7.490 1.00 0.00 C ATOM 0 H THR A 30 15.144 1.127 9.389 1.00 0.00 H new ATOM 0 HA THR A 30 13.709 3.578 9.999 1.00 0.00 H new ATOM 0 HB THR A 30 12.408 2.730 7.925 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.567 1.064 6.778 1.00 0.00 H new ATOM 0 HG21 THR A 30 14.256 3.370 6.410 1.00 0.00 H new ATOM 0 HG22 THR A 30 14.193 4.443 7.829 1.00 0.00 H new ATOM 0 HG23 THR A 30 15.422 3.159 7.738 1.00 0.00 H new ATOM 515 N ILE A 31 12.134 0.660 10.114 1.00 0.00 N ATOM 516 CA ILE A 31 10.988 -0.024 10.694 1.00 0.00 C ATOM 517 C ILE A 31 11.131 -0.188 12.204 1.00 0.00 C ATOM 518 O ILE A 31 10.142 -0.146 12.936 1.00 0.00 O ATOM 519 CB ILE A 31 10.742 -1.382 10.012 1.00 0.00 C ATOM 520 CG1 ILE A 31 9.397 -1.947 10.475 1.00 0.00 C ATOM 521 CG2 ILE A 31 11.853 -2.369 10.372 1.00 0.00 C ATOM 522 CD1 ILE A 31 9.032 -3.162 9.631 1.00 0.00 C ATOM 0 H ILE A 31 12.686 0.091 9.472 1.00 0.00 H new ATOM 0 HA ILE A 31 10.116 0.604 10.515 1.00 0.00 H new ATOM 0 HB ILE A 31 10.734 -1.236 8.932 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.452 -2.226 11.527 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.622 -1.185 10.387 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.664 -3.324 9.882 1.00 0.00 H new ATOM 0 HG22 ILE A 31 12.813 -1.974 10.039 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.875 -2.514 11.452 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.074 -3.561 9.964 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.959 -2.869 8.584 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.802 -3.926 9.741 1.00 0.00 H new ATOM 534 N ASN A 32 12.359 -0.399 12.665 1.00 0.00 N ATOM 535 CA ASN A 32 12.608 -0.601 14.094 1.00 0.00 C ATOM 536 C ASN A 32 11.869 0.441 14.910 1.00 0.00 C ATOM 537 O ASN A 32 11.506 0.200 16.057 1.00 0.00 O ATOM 538 CB ASN A 32 14.102 -0.578 14.422 1.00 0.00 C ATOM 539 CG ASN A 32 14.363 -1.478 15.622 1.00 0.00 C ATOM 540 OD1 ASN A 32 14.088 -2.687 15.560 1.00 0.00 O ATOM 541 ND2 ASN A 32 14.859 -0.975 16.708 1.00 0.00 N ATOM 0 H ASN A 32 13.193 -0.435 12.079 1.00 0.00 H new ATOM 0 HA ASN A 32 12.232 -1.590 14.356 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.681 -0.919 13.563 1.00 0.00 H new ATOM 0 HB3 ASN A 32 14.424 0.441 14.639 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.025 -1.573 17.517 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.083 0.019 16.754 1.00 0.00 H new ATOM 548 N GLY A 33 11.562 1.563 14.274 1.00 0.00 N ATOM 549 CA GLY A 33 10.756 2.597 14.901 1.00 0.00 C ATOM 550 C GLY A 33 9.540 1.984 15.592 1.00 0.00 C ATOM 551 O GLY A 33 9.016 2.551 16.552 1.00 0.00 O ATOM 0 H GLY A 33 11.860 1.779 13.323 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.357 3.144 15.628 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.430 3.317 14.150 1.00 0.00 H new ATOM 555 N ILE A 34 9.165 0.765 15.181 1.00 0.00 N ATOM 556 CA ILE A 34 8.075 0.050 15.841 1.00 0.00 C ATOM 557 C ILE A 34 8.312 -0.022 17.332 1.00 0.00 C ATOM 558 O ILE A 34 7.373 -0.177 18.101 1.00 0.00 O ATOM 559 CB ILE A 34 7.873 -1.364 15.270 1.00 0.00 C ATOM 560 CG1 ILE A 34 9.184 -2.162 15.359 1.00 0.00 C ATOM 561 CG2 ILE A 34 7.404 -1.284 13.811 1.00 0.00 C ATOM 562 CD1 ILE A 34 8.916 -3.623 15.003 1.00 0.00 C ATOM 0 H ILE A 34 9.596 0.263 14.405 1.00 0.00 H new ATOM 0 HA ILE A 34 7.163 0.615 15.648 1.00 0.00 H new ATOM 0 HB ILE A 34 7.109 -1.873 15.857 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.925 -1.741 14.680 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.597 -2.092 16.365 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.265 -2.291 13.418 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.460 -0.741 13.761 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.154 -0.763 13.216 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.845 -4.189 15.066 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.189 -4.040 15.700 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.522 -3.684 13.989 1.00 0.00 H new ATOM 574 N GLU A 35 9.560 0.143 17.754 1.00 0.00 N ATOM 575 CA GLU A 35 9.840 0.155 19.172 1.00 0.00 C ATOM 576 C GLU A 35 9.005 1.239 19.846 1.00 0.00 C ATOM 577 O GLU A 35 8.273 0.963 20.803 1.00 0.00 O ATOM 578 CB GLU A 35 11.330 0.414 19.426 1.00 0.00 C ATOM 579 CG GLU A 35 12.179 -0.775 18.938 1.00 0.00 C ATOM 580 CD GLU A 35 11.891 -2.024 19.757 1.00 0.00 C ATOM 581 OE1 GLU A 35 11.410 -1.890 20.873 1.00 0.00 O ATOM 582 OE2 GLU A 35 12.162 -3.095 19.268 1.00 0.00 O ATOM 0 H GLU A 35 10.371 0.267 17.148 1.00 0.00 H new ATOM 0 HA GLU A 35 9.582 -0.818 19.589 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.639 1.324 18.911 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.500 0.576 20.490 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.969 -0.969 17.886 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.237 -0.525 19.010 1.00 0.00 H new ATOM 589 N LYS A 36 9.006 2.436 19.255 1.00 0.00 N ATOM 590 CA LYS A 36 8.142 3.520 19.718 1.00 0.00 C ATOM 591 C LYS A 36 6.894 3.627 18.859 1.00 0.00 C ATOM 592 O LYS A 36 5.894 4.215 19.264 1.00 0.00 O ATOM 593 CB LYS A 36 8.897 4.849 19.716 1.00 0.00 C ATOM 594 CG LYS A 36 9.964 4.816 20.819 1.00 0.00 C ATOM 595 CD LYS A 36 10.757 6.130 20.829 1.00 0.00 C ATOM 596 CE LYS A 36 11.724 6.130 22.020 1.00 0.00 C ATOM 597 NZ LYS A 36 12.613 4.938 21.945 1.00 0.00 N ATOM 0 H LYS A 36 9.594 2.677 18.457 1.00 0.00 H new ATOM 0 HA LYS A 36 7.838 3.291 20.739 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.363 5.016 18.745 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.206 5.675 19.884 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.491 4.661 21.789 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.640 3.976 20.656 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.310 6.241 19.897 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.076 6.978 20.899 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.321 7.042 22.016 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.164 6.120 22.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.453 5.094 22.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.100 4.100 22.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.908 4.786 20.959 1.00 0.00 H new ATOM 611 N ASN A 37 6.956 3.043 17.679 1.00 0.00 N ATOM 612 CA ASN A 37 5.826 3.025 16.753 1.00 0.00 C ATOM 613 C ASN A 37 5.008 1.768 16.936 1.00 0.00 C ATOM 614 O ASN A 37 4.335 1.319 16.011 1.00 0.00 O ATOM 615 CB ASN A 37 6.278 3.155 15.294 1.00 0.00 C ATOM 616 CG ASN A 37 5.156 3.771 14.472 1.00 0.00 C ATOM 617 OD1 ASN A 37 5.357 4.779 13.809 1.00 0.00 O ATOM 618 ND2 ASN A 37 3.978 3.225 14.474 1.00 0.00 N ATOM 0 H ASN A 37 7.787 2.566 17.329 1.00 0.00 H new ATOM 0 HA ASN A 37 5.205 3.891 16.985 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.172 3.775 15.232 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.541 2.176 14.894 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.224 3.637 13.924 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.806 2.384 15.026 1.00 0.00 H new ATOM 625 N LYS A 38 5.208 1.110 18.062 1.00 0.00 N ATOM 626 CA LYS A 38 4.634 -0.205 18.300 1.00 0.00 C ATOM 627 C LYS A 38 3.127 -0.174 18.081 1.00 0.00 C ATOM 628 O LYS A 38 2.529 -1.171 17.663 1.00 0.00 O ATOM 629 CB LYS A 38 4.976 -0.701 19.708 1.00 0.00 C ATOM 630 CG LYS A 38 4.885 -2.227 19.748 1.00 0.00 C ATOM 631 CD LYS A 38 6.040 -2.833 18.933 1.00 0.00 C ATOM 632 CE LYS A 38 6.106 -4.342 19.183 1.00 0.00 C ATOM 633 NZ LYS A 38 4.794 -4.960 18.867 1.00 0.00 N ATOM 0 H LYS A 38 5.769 1.468 18.835 1.00 0.00 H new ATOM 0 HA LYS A 38 5.067 -0.906 17.586 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.980 -0.379 19.985 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.290 -0.266 20.435 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.931 -2.577 20.779 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.928 -2.555 19.342 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.892 -2.636 17.871 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.983 -2.365 19.216 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.887 -4.788 18.567 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.370 -4.537 20.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.915 -5.985 18.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.130 -4.784 19.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.417 -4.545 17.991 1.00 0.00 H new ATOM 647 N TYR A 39 2.534 0.992 18.309 1.00 0.00 N ATOM 648 CA TYR A 39 1.120 1.236 17.999 1.00 0.00 C ATOM 649 C TYR A 39 0.841 0.808 16.547 1.00 0.00 C ATOM 650 O TYR A 39 1.756 0.383 15.832 1.00 0.00 O ATOM 651 CB TYR A 39 0.798 2.731 18.144 1.00 0.00 C ATOM 652 CG TYR A 39 1.360 3.259 19.442 1.00 0.00 C ATOM 653 CD1 TYR A 39 0.667 3.070 20.645 1.00 0.00 C ATOM 654 CD2 TYR A 39 2.584 3.941 19.436 1.00 0.00 C ATOM 655 CE1 TYR A 39 1.202 3.566 21.840 1.00 0.00 C ATOM 656 CE2 TYR A 39 3.114 4.432 20.629 1.00 0.00 C ATOM 657 CZ TYR A 39 2.424 4.248 21.828 1.00 0.00 C ATOM 658 OH TYR A 39 2.957 4.727 23.001 1.00 0.00 O ATOM 0 H TYR A 39 3.014 1.797 18.713 1.00 0.00 H new ATOM 0 HA TYR A 39 0.500 0.663 18.689 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.219 3.285 17.305 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.281 2.883 18.117 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.276 2.544 20.650 1.00 0.00 H new ATOM 0 HD2 TYR A 39 3.117 4.086 18.508 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.672 3.422 22.770 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.059 4.955 20.625 1.00 0.00 H new ATOM 0 HH TYR A 39 3.809 5.174 22.815 1.00 0.00 H new ATOM 668 N ASN A 40 -0.388 0.976 16.087 1.00 0.00 N ATOM 669 CA ASN A 40 -0.693 0.629 14.698 1.00 0.00 C ATOM 670 C ASN A 40 0.190 1.469 13.781 1.00 0.00 C ATOM 671 O ASN A 40 0.213 2.702 13.894 1.00 0.00 O ATOM 672 CB ASN A 40 -2.166 0.909 14.380 1.00 0.00 C ATOM 673 CG ASN A 40 -2.457 0.540 12.931 1.00 0.00 C ATOM 674 OD1 ASN A 40 -2.306 -0.615 12.541 1.00 0.00 O ATOM 675 ND2 ASN A 40 -2.864 1.447 12.104 1.00 0.00 N ATOM 0 H ASN A 40 -1.172 1.338 16.630 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.503 -0.433 14.545 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.808 0.334 15.048 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.391 1.962 14.550 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.058 1.202 11.133 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.991 2.408 12.423 1.00 0.00 H new ATOM 682 N PRO A 41 1.020 0.832 12.980 1.00 0.00 N ATOM 683 CA PRO A 41 2.052 1.567 12.185 1.00 0.00 C ATOM 684 C PRO A 41 1.441 2.642 11.307 1.00 0.00 C ATOM 685 O PRO A 41 0.424 2.423 10.641 1.00 0.00 O ATOM 686 CB PRO A 41 2.686 0.471 11.308 1.00 0.00 C ATOM 687 CG PRO A 41 2.424 -0.799 12.043 1.00 0.00 C ATOM 688 CD PRO A 41 1.057 -0.619 12.691 1.00 0.00 C ATOM 0 HA PRO A 41 2.764 2.083 12.829 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.240 0.452 10.313 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.755 0.639 11.175 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.428 -1.653 11.365 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.193 -0.984 12.793 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.250 -0.919 12.023 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.958 -1.215 13.598 1.00 0.00 H new ATOM 696 N SER A 42 2.109 3.776 11.247 1.00 0.00 N ATOM 697 CA SER A 42 1.695 4.851 10.379 1.00 0.00 C ATOM 698 C SER A 42 2.046 4.490 8.950 1.00 0.00 C ATOM 699 O SER A 42 2.962 3.682 8.718 1.00 0.00 O ATOM 700 CB SER A 42 2.397 6.144 10.777 1.00 0.00 C ATOM 701 OG SER A 42 2.380 6.281 12.209 1.00 0.00 O ATOM 0 H SER A 42 2.946 3.974 11.795 1.00 0.00 H new ATOM 0 HA SER A 42 0.619 5.000 10.467 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.425 6.138 10.414 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.900 6.997 10.314 1.00 0.00 H new ATOM 0 HG SER A 42 2.833 7.112 12.464 1.00 0.00 H new ATOM 707 N LEU A 43 1.352 5.075 7.999 1.00 0.00 N ATOM 708 CA LEU A 43 1.618 4.763 6.615 1.00 0.00 C ATOM 709 C LEU A 43 3.047 5.131 6.248 1.00 0.00 C ATOM 710 O LEU A 43 3.747 4.339 5.629 1.00 0.00 O ATOM 711 CB LEU A 43 0.613 5.452 5.679 1.00 0.00 C ATOM 712 CG LEU A 43 -0.686 4.623 5.609 1.00 0.00 C ATOM 713 CD1 LEU A 43 -1.529 4.848 6.866 1.00 0.00 C ATOM 714 CD2 LEU A 43 -1.503 5.033 4.377 1.00 0.00 C ATOM 0 H LEU A 43 0.611 5.758 8.155 1.00 0.00 H new ATOM 0 HA LEU A 43 1.498 3.687 6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.395 6.457 6.040 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.043 5.557 4.683 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.419 3.569 5.538 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.442 4.257 6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.960 4.544 7.745 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.786 5.904 6.948 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.419 4.443 4.335 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.756 6.091 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.916 4.856 3.476 1.00 0.00 H new ATOM 726 N GLN A 44 3.516 6.280 6.718 1.00 0.00 N ATOM 727 CA GLN A 44 4.884 6.683 6.420 1.00 0.00 C ATOM 728 C GLN A 44 5.855 5.589 6.848 1.00 0.00 C ATOM 729 O GLN A 44 6.711 5.170 6.073 1.00 0.00 O ATOM 730 CB GLN A 44 5.240 7.996 7.151 1.00 0.00 C ATOM 731 CG GLN A 44 4.463 9.173 6.547 1.00 0.00 C ATOM 732 CD GLN A 44 4.790 10.463 7.293 1.00 0.00 C ATOM 733 OE1 GLN A 44 4.428 10.618 8.464 1.00 0.00 O ATOM 734 NE2 GLN A 44 5.457 11.398 6.693 1.00 0.00 N ATOM 0 H GLN A 44 2.985 6.935 7.293 1.00 0.00 H new ATOM 0 HA GLN A 44 4.964 6.845 5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.006 7.904 8.212 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.311 8.182 7.076 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.716 9.281 5.492 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.392 8.976 6.600 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.756 11.271 5.726 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.683 12.261 7.188 1.00 0.00 H new ATOM 743 N LEU A 45 5.673 5.076 8.054 1.00 0.00 N ATOM 744 CA LEU A 45 6.487 3.967 8.528 1.00 0.00 C ATOM 745 C LEU A 45 6.215 2.710 7.700 1.00 0.00 C ATOM 746 O LEU A 45 7.135 1.988 7.321 1.00 0.00 O ATOM 747 CB LEU A 45 6.208 3.693 10.015 1.00 0.00 C ATOM 748 CG LEU A 45 7.081 2.524 10.511 1.00 0.00 C ATOM 749 CD1 LEU A 45 8.565 2.861 10.314 1.00 0.00 C ATOM 750 CD2 LEU A 45 6.813 2.280 12.000 1.00 0.00 C ATOM 0 H LEU A 45 4.974 5.407 8.719 1.00 0.00 H new ATOM 0 HA LEU A 45 7.536 4.239 8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.416 4.587 10.603 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.154 3.456 10.158 1.00 0.00 H new ATOM 0 HG LEU A 45 6.834 1.628 9.941 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.177 2.031 10.667 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.762 3.033 9.256 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.812 3.759 10.879 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.431 1.453 12.350 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.056 3.179 12.566 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.761 2.034 12.145 1.00 0.00 H new ATOM 762 N ALA A 46 4.936 2.428 7.485 1.00 0.00 N ATOM 763 CA ALA A 46 4.517 1.217 6.783 1.00 0.00 C ATOM 764 C ALA A 46 4.923 1.225 5.311 1.00 0.00 C ATOM 765 O ALA A 46 5.290 0.186 4.758 1.00 0.00 O ATOM 766 CB ALA A 46 3.012 0.989 6.936 1.00 0.00 C ATOM 0 H ALA A 46 4.166 3.024 7.788 1.00 0.00 H new ATOM 0 HA ALA A 46 5.042 0.383 7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.726 0.082 6.404 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.766 0.884 7.993 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.471 1.839 6.520 1.00 0.00 H new ATOM 772 N LEU A 47 4.863 2.390 4.679 1.00 0.00 N ATOM 773 CA LEU A 47 5.181 2.505 3.249 1.00 0.00 C ATOM 774 C LEU A 47 6.582 2.038 2.975 1.00 0.00 C ATOM 775 O LEU A 47 6.896 1.616 1.857 1.00 0.00 O ATOM 776 CB LEU A 47 5.034 3.954 2.755 1.00 0.00 C ATOM 777 CG LEU A 47 3.559 4.370 2.724 1.00 0.00 C ATOM 778 CD1 LEU A 47 3.457 5.875 2.509 1.00 0.00 C ATOM 779 CD2 LEU A 47 2.843 3.657 1.570 1.00 0.00 C ATOM 0 H LEU A 47 4.599 3.268 5.125 1.00 0.00 H new ATOM 0 HA LEU A 47 4.472 1.874 2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.592 4.624 3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.465 4.049 1.758 1.00 0.00 H new ATOM 0 HG LEU A 47 3.094 4.097 3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.408 6.169 2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.962 6.394 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.928 6.140 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.795 3.956 1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.314 3.929 0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.910 2.578 1.711 1.00 0.00 H new ATOM 791 N LYS A 48 7.452 2.202 3.944 1.00 0.00 N ATOM 792 CA LYS A 48 8.841 1.882 3.738 1.00 0.00 C ATOM 793 C LYS A 48 8.994 0.403 3.392 1.00 0.00 C ATOM 794 O LYS A 48 9.579 0.074 2.362 1.00 0.00 O ATOM 795 CB LYS A 48 9.624 2.252 4.993 1.00 0.00 C ATOM 796 CG LYS A 48 9.532 3.776 5.158 1.00 0.00 C ATOM 797 CD LYS A 48 10.225 4.228 6.437 1.00 0.00 C ATOM 798 CE LYS A 48 9.946 5.722 6.646 1.00 0.00 C ATOM 799 NZ LYS A 48 10.622 6.525 5.592 1.00 0.00 N ATOM 0 H LYS A 48 7.224 2.552 4.874 1.00 0.00 H new ATOM 0 HA LYS A 48 9.239 2.454 2.899 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.212 1.746 5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.664 1.938 4.904 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.989 4.267 4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.486 4.081 5.180 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.860 3.653 7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.298 4.050 6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.872 5.906 6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.298 6.031 7.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.584 7.533 5.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.615 6.226 5.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.141 6.379 4.682 1.00 0.00 H new ATOM 813 N ILE A 49 8.302 -0.469 4.119 1.00 0.00 N ATOM 814 CA ILE A 49 8.227 -1.866 3.703 1.00 0.00 C ATOM 815 C ILE A 49 7.083 -2.103 2.712 1.00 0.00 C ATOM 816 O ILE A 49 7.207 -2.904 1.788 1.00 0.00 O ATOM 817 CB ILE A 49 8.141 -2.849 4.886 1.00 0.00 C ATOM 818 CG1 ILE A 49 6.876 -2.609 5.713 1.00 0.00 C ATOM 819 CG2 ILE A 49 9.374 -2.699 5.787 1.00 0.00 C ATOM 820 CD1 ILE A 49 6.696 -3.781 6.680 1.00 0.00 C ATOM 0 H ILE A 49 7.798 -0.243 4.976 1.00 0.00 H new ATOM 0 HA ILE A 49 9.169 -2.072 3.194 1.00 0.00 H new ATOM 0 HB ILE A 49 8.104 -3.859 4.479 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.957 -1.672 6.265 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.008 -2.521 5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 49 9.303 -3.398 6.620 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.274 -2.912 5.210 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.422 -1.680 6.172 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.798 -3.625 7.277 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.599 -4.708 6.114 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.563 -3.846 7.338 1.00 0.00 H new ATOM 832 N ALA A 50 5.932 -1.474 2.975 1.00 0.00 N ATOM 833 CA ALA A 50 4.721 -1.713 2.183 1.00 0.00 C ATOM 834 C ALA A 50 4.898 -1.329 0.731 1.00 0.00 C ATOM 835 O ALA A 50 4.288 -1.927 -0.143 1.00 0.00 O ATOM 836 CB ALA A 50 3.513 -0.981 2.775 1.00 0.00 C ATOM 0 H ALA A 50 5.814 -0.797 3.729 1.00 0.00 H new ATOM 0 HA ALA A 50 4.536 -2.786 2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.632 -1.179 2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.336 -1.333 3.791 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.709 0.091 2.791 1.00 0.00 H new ATOM 842 N TYR A 51 5.756 -0.352 0.471 1.00 0.00 N ATOM 843 CA TYR A 51 5.997 0.083 -0.902 1.00 0.00 C ATOM 844 C TYR A 51 6.405 -1.117 -1.737 1.00 0.00 C ATOM 845 O TYR A 51 5.969 -1.272 -2.878 1.00 0.00 O ATOM 846 CB TYR A 51 7.091 1.156 -0.953 1.00 0.00 C ATOM 847 CG TYR A 51 7.373 1.519 -2.394 1.00 0.00 C ATOM 848 CD1 TYR A 51 6.561 2.453 -3.051 1.00 0.00 C ATOM 849 CD2 TYR A 51 8.436 0.915 -3.075 1.00 0.00 C ATOM 850 CE1 TYR A 51 6.814 2.779 -4.384 1.00 0.00 C ATOM 851 CE2 TYR A 51 8.687 1.244 -4.409 1.00 0.00 C ATOM 852 CZ TYR A 51 7.875 2.176 -5.061 1.00 0.00 C ATOM 853 OH TYR A 51 8.121 2.498 -6.374 1.00 0.00 O ATOM 0 H TYR A 51 6.291 0.150 1.180 1.00 0.00 H new ATOM 0 HA TYR A 51 5.081 0.518 -1.302 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.775 2.040 -0.399 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.999 0.788 -0.475 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.740 2.920 -2.526 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.062 0.195 -2.569 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.189 3.498 -4.892 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.507 0.779 -4.936 1.00 0.00 H new ATOM 0 HH TYR A 51 8.895 1.991 -6.696 1.00 0.00 H new ATOM 863 N TYR A 52 7.240 -1.960 -1.160 1.00 0.00 N ATOM 864 CA TYR A 52 7.699 -3.162 -1.832 1.00 0.00 C ATOM 865 C TYR A 52 6.526 -4.083 -2.122 1.00 0.00 C ATOM 866 O TYR A 52 6.476 -4.731 -3.181 1.00 0.00 O ATOM 867 CB TYR A 52 8.749 -3.878 -0.982 1.00 0.00 C ATOM 868 CG TYR A 52 9.924 -2.943 -0.783 1.00 0.00 C ATOM 869 CD1 TYR A 52 10.649 -2.483 -1.888 1.00 0.00 C ATOM 870 CD2 TYR A 52 10.281 -2.524 0.503 1.00 0.00 C ATOM 871 CE1 TYR A 52 11.724 -1.611 -1.712 1.00 0.00 C ATOM 872 CE2 TYR A 52 11.360 -1.651 0.679 1.00 0.00 C ATOM 873 CZ TYR A 52 12.079 -1.195 -0.429 1.00 0.00 C ATOM 874 OH TYR A 52 13.137 -0.329 -0.255 1.00 0.00 O ATOM 0 H TYR A 52 7.617 -1.834 -0.221 1.00 0.00 H new ATOM 0 HA TYR A 52 8.158 -2.880 -2.779 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.326 -4.165 -0.019 1.00 0.00 H new ATOM 0 HB3 TYR A 52 9.073 -4.795 -1.474 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.375 -2.805 -2.882 1.00 0.00 H new ATOM 0 HD2 TYR A 52 9.724 -2.874 1.359 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.280 -1.259 -2.568 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.637 -1.329 1.672 1.00 0.00 H new ATOM 0 HH TYR A 52 13.250 -0.139 0.700 1.00 0.00 H new ATOM 884 N LEU A 53 5.556 -4.107 -1.212 1.00 0.00 N ATOM 885 CA LEU A 53 4.349 -4.893 -1.429 1.00 0.00 C ATOM 886 C LEU A 53 3.525 -4.250 -2.528 1.00 0.00 C ATOM 887 O LEU A 53 3.533 -3.033 -2.689 1.00 0.00 O ATOM 888 CB LEU A 53 3.480 -4.998 -0.159 1.00 0.00 C ATOM 889 CG LEU A 53 4.269 -5.603 1.015 1.00 0.00 C ATOM 890 CD1 LEU A 53 3.345 -5.725 2.231 1.00 0.00 C ATOM 891 CD2 LEU A 53 4.795 -6.993 0.653 1.00 0.00 C ATOM 0 H LEU A 53 5.582 -3.598 -0.329 1.00 0.00 H new ATOM 0 HA LEU A 53 4.662 -5.899 -1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.116 -4.008 0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.604 -5.613 -0.366 1.00 0.00 H new ATOM 0 HG LEU A 53 5.114 -4.952 1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.898 -6.153 3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.976 -4.738 2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.503 -6.371 1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.350 -7.403 1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.957 -7.649 0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.453 -6.919 -0.213 1.00 0.00 H new ATOM 903 N ASN A 54 2.791 -5.056 -3.260 1.00 0.00 N ATOM 904 CA ASN A 54 1.956 -4.536 -4.332 1.00 0.00 C ATOM 905 C ASN A 54 0.623 -4.025 -3.797 1.00 0.00 C ATOM 906 O ASN A 54 -0.287 -3.727 -4.570 1.00 0.00 O ATOM 907 CB ASN A 54 1.749 -5.585 -5.453 1.00 0.00 C ATOM 908 CG ASN A 54 0.626 -6.577 -5.114 1.00 0.00 C ATOM 909 OD1 ASN A 54 0.861 -7.790 -5.086 1.00 0.00 O ATOM 910 ND2 ASN A 54 -0.569 -6.153 -4.841 1.00 0.00 N ATOM 0 H ASN A 54 2.751 -6.068 -3.139 1.00 0.00 H new ATOM 0 HA ASN A 54 2.482 -3.689 -4.773 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.512 -5.075 -6.387 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.678 -6.131 -5.614 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.305 -6.819 -4.606 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.773 -5.154 -4.861 1.00 0.00 H new ATOM 917 N THR A 55 0.516 -3.905 -2.484 1.00 0.00 N ATOM 918 CA THR A 55 -0.693 -3.384 -1.866 1.00 0.00 C ATOM 919 C THR A 55 -0.457 -1.947 -1.424 1.00 0.00 C ATOM 920 O THR A 55 0.236 -1.708 -0.430 1.00 0.00 O ATOM 921 CB THR A 55 -1.022 -4.227 -0.629 1.00 0.00 C ATOM 922 OG1 THR A 55 0.182 -4.816 -0.132 1.00 0.00 O ATOM 923 CG2 THR A 55 -2.022 -5.324 -0.987 1.00 0.00 C ATOM 0 H THR A 55 1.251 -4.161 -1.825 1.00 0.00 H new ATOM 0 HA THR A 55 -1.514 -3.422 -2.582 1.00 0.00 H new ATOM 0 HB THR A 55 -1.465 -3.588 0.135 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.011 -5.221 0.744 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.247 -5.915 -0.099 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.939 -4.871 -1.363 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.595 -5.970 -1.754 1.00 0.00 H new ATOM 931 N PRO A 56 -1.076 -0.991 -2.072 1.00 0.00 N ATOM 932 CA PRO A 56 -0.948 0.415 -1.614 1.00 0.00 C ATOM 933 C PRO A 56 -1.539 0.584 -0.224 1.00 0.00 C ATOM 934 O PRO A 56 -2.688 0.194 0.019 1.00 0.00 O ATOM 935 CB PRO A 56 -1.750 1.215 -2.646 1.00 0.00 C ATOM 936 CG PRO A 56 -1.710 0.380 -3.884 1.00 0.00 C ATOM 937 CD PRO A 56 -1.704 -1.072 -3.412 1.00 0.00 C ATOM 0 HA PRO A 56 0.090 0.741 -1.544 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.774 1.379 -2.311 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.309 2.197 -2.816 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.574 0.581 -4.518 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.822 0.602 -4.476 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.712 -1.482 -3.360 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.134 -1.712 -4.086 1.00 0.00 H new ATOM 945 N LEU A 57 -0.828 1.283 0.642 1.00 0.00 N ATOM 946 CA LEU A 57 -1.381 1.608 1.948 1.00 0.00 C ATOM 947 C LEU A 57 -2.536 2.544 1.777 1.00 0.00 C ATOM 948 O LEU A 57 -3.520 2.493 2.513 1.00 0.00 O ATOM 949 CB LEU A 57 -0.346 2.249 2.866 1.00 0.00 C ATOM 950 CG LEU A 57 0.753 1.243 3.209 1.00 0.00 C ATOM 951 CD1 LEU A 57 1.767 1.917 4.111 1.00 0.00 C ATOM 952 CD2 LEU A 57 0.159 0.038 3.935 1.00 0.00 C ATOM 0 H LEU A 57 0.115 1.632 0.472 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.706 0.677 2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.089 3.122 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.827 2.599 3.780 1.00 0.00 H new ATOM 0 HG LEU A 57 1.229 0.902 2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.557 1.209 4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.199 2.775 3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.275 2.253 5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.952 -0.671 4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.321 0.369 4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.579 -0.445 3.294 1.00 0.00 H new ATOM 964 N GLU A 58 -2.373 3.448 0.836 1.00 0.00 N ATOM 965 CA GLU A 58 -3.334 4.487 0.591 1.00 0.00 C ATOM 966 C GLU A 58 -4.695 3.865 0.339 1.00 0.00 C ATOM 967 O GLU A 58 -5.726 4.419 0.721 1.00 0.00 O ATOM 968 CB GLU A 58 -2.905 5.294 -0.636 1.00 0.00 C ATOM 969 CG GLU A 58 -1.521 5.921 -0.393 1.00 0.00 C ATOM 970 CD GLU A 58 -1.556 6.880 0.782 1.00 0.00 C ATOM 971 OE1 GLU A 58 -2.368 7.778 0.767 1.00 0.00 O ATOM 972 OE2 GLU A 58 -0.759 6.717 1.673 1.00 0.00 O ATOM 0 H GLU A 58 -1.562 3.478 0.218 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.391 5.145 1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.872 4.648 -1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.637 6.075 -0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.790 5.135 -0.203 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.195 6.450 -1.289 1.00 0.00 H new ATOM 979 N ASP A 59 -4.700 2.709 -0.310 1.00 0.00 N ATOM 980 CA ASP A 59 -5.952 2.028 -0.580 1.00 0.00 C ATOM 981 C ASP A 59 -6.633 1.607 0.712 1.00 0.00 C ATOM 982 O ASP A 59 -7.789 1.969 0.961 1.00 0.00 O ATOM 983 CB ASP A 59 -5.726 0.796 -1.457 1.00 0.00 C ATOM 984 CG ASP A 59 -7.053 0.105 -1.698 1.00 0.00 C ATOM 985 OD1 ASP A 59 -7.897 0.703 -2.318 1.00 0.00 O ATOM 986 OD2 ASP A 59 -7.209 -1.010 -1.254 1.00 0.00 O ATOM 0 H ASP A 59 -3.866 2.232 -0.653 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.596 2.730 -1.109 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.277 1.088 -2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.029 0.112 -0.972 1.00 0.00 H new ATOM 991 N ILE A 60 -5.917 0.867 1.554 1.00 0.00 N ATOM 992 CA ILE A 60 -6.488 0.440 2.821 1.00 0.00 C ATOM 993 C ILE A 60 -6.647 1.616 3.772 1.00 0.00 C ATOM 994 O ILE A 60 -7.725 1.826 4.315 1.00 0.00 O ATOM 995 CB ILE A 60 -5.693 -0.734 3.453 1.00 0.00 C ATOM 996 CG1 ILE A 60 -6.272 -1.085 4.836 1.00 0.00 C ATOM 997 CG2 ILE A 60 -4.193 -0.424 3.565 1.00 0.00 C ATOM 998 CD1 ILE A 60 -5.547 -0.290 5.934 1.00 0.00 C ATOM 0 H ILE A 60 -4.960 0.557 1.385 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.487 0.052 2.620 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.797 -1.593 2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.338 -0.861 4.859 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.167 -2.154 5.021 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.678 -1.274 4.013 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.785 -0.235 2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.049 0.457 4.190 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.966 -0.548 6.907 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.485 -0.535 5.920 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.675 0.778 5.755 1.00 0.00 H new ATOM 1010 N PHE A 61 -5.612 2.461 3.824 1.00 0.00 N ATOM 1011 CA PHE A 61 -5.586 3.715 4.608 1.00 0.00 C ATOM 1012 C PHE A 61 -6.103 3.553 6.055 1.00 0.00 C ATOM 1013 O PHE A 61 -5.379 3.866 7.000 1.00 0.00 O ATOM 1014 CB PHE A 61 -6.343 4.831 3.874 1.00 0.00 C ATOM 1015 CG PHE A 61 -5.994 6.173 4.479 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -4.866 6.870 4.025 1.00 0.00 C ATOM 1017 CD2 PHE A 61 -6.796 6.722 5.486 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -4.542 8.111 4.582 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -6.474 7.964 6.042 1.00 0.00 C ATOM 1020 CZ PHE A 61 -5.345 8.658 5.593 1.00 0.00 C ATOM 0 H PHE A 61 -4.745 2.294 3.312 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.536 3.995 4.697 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.085 4.822 2.815 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.417 4.660 3.942 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.248 6.449 3.246 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.666 6.185 5.835 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.673 8.649 4.233 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.096 8.387 6.817 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.092 9.615 6.025 1.00 0.00 H new