USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 630 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.431 K(o=-0.43,f=-3.1!) USER MOD Set 2.1: A 7 THR OG1 : rot -170:sc= 0.361 USER MOD Set 2.2: A 9 THR OG1 : rot -57:sc= 0.3 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 178:sc= 0.514 (180deg=-0.167) USER MOD Set 3.2: A 68 HIS : no HD1:sc= -0.668 K(o=-0.15,f=-2.2) USER MOD Single : A 1 MET CE :methyl -150:sc= -1.86 (180deg=-2.69!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 1.08 K(o=1.1,f=-0.18) USER MOD Single : A 11 LYS NZ :NH3+ -155:sc= -0.759 (180deg=-1.84) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.735 K(o=-0.74,f=-3.9!) USER MOD Single : A 33 LYS NZ :NH3+ -136:sc= -0.0232 (180deg=-0.236) USER MOD Single : A 40 GLN : amide:sc= -0.47 K(o=-0.47,f=-3.3!) USER MOD Single : A 41 GLN : amide:sc= -9.1! C(o=-9.1!,f=-14!) USER MOD Single : A 48 LYS NZ :NH3+ -151:sc= -0.445 (180deg=-1.99!) USER MOD Single : A 49 GLN : amide:sc= -0.162 K(o=-0.16,f=-0.97) USER MOD Single : A 55 THR OG1 : rot -63:sc= -1.92! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.134 USER MOD Single : A 60 ASN : amide:sc= -2.54! C(o=-2.5!,f=-3.5!) USER MOD Single : A 62 GLN : amide:sc= -0.0471 X(o=-0.047,f=-0.5) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -53:sc= -1.07! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.622 -20.214 -2.393 1.00 0.00 N ATOM 2 CA MET A 1 3.561 -19.210 -3.487 1.00 0.00 C ATOM 3 C MET A 1 4.324 -17.942 -3.114 1.00 0.00 C ATOM 4 O MET A 1 3.825 -17.104 -2.362 1.00 0.00 O ATOM 5 CB MET A 1 2.092 -18.882 -3.766 1.00 0.00 C ATOM 6 CG MET A 1 1.887 -17.542 -4.453 1.00 0.00 C ATOM 7 SD MET A 1 0.718 -17.635 -5.823 1.00 0.00 S ATOM 8 CE MET A 1 -0.841 -17.548 -4.945 1.00 0.00 C ATOM 0 H1 MET A 1 3.095 -21.066 -2.674 1.00 0.00 H new ATOM 0 H2 MET A 1 4.614 -20.466 -2.208 1.00 0.00 H new ATOM 0 H3 MET A 1 3.200 -19.814 -1.531 1.00 0.00 H new ATOM 0 HA MET A 1 4.029 -19.623 -4.380 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.665 -19.669 -4.388 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.543 -18.886 -2.825 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.529 -16.815 -3.724 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.845 -17.177 -4.822 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.602 -18.098 -5.499 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.726 -17.987 -3.954 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.146 -16.506 -4.847 1.00 0.00 H new ATOM 20 N GLN A 2 5.534 -17.809 -3.647 1.00 0.00 N ATOM 21 CA GLN A 2 6.365 -16.643 -3.371 1.00 0.00 C ATOM 22 C GLN A 2 6.004 -15.486 -4.297 1.00 0.00 C ATOM 23 O GLN A 2 6.037 -15.623 -5.520 1.00 0.00 O ATOM 24 CB GLN A 2 7.845 -16.998 -3.533 1.00 0.00 C ATOM 25 CG GLN A 2 8.767 -16.188 -2.636 1.00 0.00 C ATOM 26 CD GLN A 2 10.072 -16.902 -2.345 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.838 -17.216 -3.256 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.332 -17.163 -1.069 1.00 0.00 N ATOM 0 H GLN A 2 5.960 -18.493 -4.272 1.00 0.00 H new ATOM 0 HA GLN A 2 6.182 -16.332 -2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.981 -18.058 -3.318 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.135 -16.844 -4.572 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.979 -15.230 -3.110 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.257 -15.973 -1.697 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.669 -16.885 -0.346 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.195 -17.642 -0.812 1.00 0.00 H new ATOM 37 N LEU A 3 5.658 -14.348 -3.705 1.00 0.00 N ATOM 38 CA LEU A 3 5.290 -13.167 -4.477 1.00 0.00 C ATOM 39 C LEU A 3 6.369 -12.094 -4.381 1.00 0.00 C ATOM 40 O LEU A 3 7.156 -12.074 -3.433 1.00 0.00 O ATOM 41 CB LEU A 3 3.953 -12.607 -3.985 1.00 0.00 C ATOM 42 CG LEU A 3 2.778 -13.585 -4.053 1.00 0.00 C ATOM 43 CD1 LEU A 3 1.664 -13.144 -3.117 1.00 0.00 C ATOM 44 CD2 LEU A 3 2.264 -13.699 -5.480 1.00 0.00 C ATOM 0 H LEU A 3 5.625 -14.219 -2.694 1.00 0.00 H new ATOM 0 HA LEU A 3 5.191 -13.464 -5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.072 -12.277 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.706 -11.725 -4.575 1.00 0.00 H new ATOM 0 HG LEU A 3 3.126 -14.567 -3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.836 -13.851 -3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.039 -13.112 -2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.316 -12.152 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.429 -14.398 -5.511 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.931 -12.720 -5.826 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.064 -14.060 -6.127 1.00 0.00 H new ATOM 56 N PHE A 4 6.403 -11.204 -5.366 1.00 0.00 N ATOM 57 CA PHE A 4 7.387 -10.128 -5.392 1.00 0.00 C ATOM 58 C PHE A 4 6.703 -8.766 -5.454 1.00 0.00 C ATOM 59 O PHE A 4 6.249 -8.335 -6.515 1.00 0.00 O ATOM 60 CB PHE A 4 8.326 -10.295 -6.588 1.00 0.00 C ATOM 61 CG PHE A 4 9.045 -11.613 -6.604 1.00 0.00 C ATOM 62 CD1 PHE A 4 8.334 -12.808 -6.641 1.00 0.00 C ATOM 63 CD2 PHE A 4 10.434 -11.661 -6.582 1.00 0.00 C ATOM 64 CE1 PHE A 4 8.995 -14.026 -6.657 1.00 0.00 C ATOM 65 CE2 PHE A 4 11.101 -12.877 -6.596 1.00 0.00 C ATOM 66 CZ PHE A 4 10.380 -14.060 -6.634 1.00 0.00 C ATOM 0 H PHE A 4 5.760 -11.206 -6.158 1.00 0.00 H new ATOM 0 HA PHE A 4 7.969 -10.180 -4.472 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.751 -10.192 -7.508 1.00 0.00 H new ATOM 0 HB3 PHE A 4 9.060 -9.489 -6.579 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.254 -12.786 -6.657 1.00 0.00 H new ATOM 0 HD2 PHE A 4 11.000 -10.742 -6.554 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.432 -14.947 -6.687 1.00 0.00 H new ATOM 0 HE2 PHE A 4 12.181 -12.902 -6.577 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.897 -15.008 -6.646 1.00 0.00 H new ATOM 76 N VAL A 5 6.632 -8.093 -4.311 1.00 0.00 N ATOM 77 CA VAL A 5 6.004 -6.780 -4.235 1.00 0.00 C ATOM 78 C VAL A 5 7.016 -5.671 -4.496 1.00 0.00 C ATOM 79 O VAL A 5 8.069 -5.615 -3.859 1.00 0.00 O ATOM 80 CB VAL A 5 5.349 -6.548 -2.862 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.869 -5.111 -2.735 1.00 0.00 C ATOM 82 CG2 VAL A 5 4.203 -7.523 -2.644 1.00 0.00 C ATOM 0 H VAL A 5 7.002 -8.435 -3.424 1.00 0.00 H new ATOM 0 HA VAL A 5 5.233 -6.754 -5.005 1.00 0.00 H new ATOM 0 HB VAL A 5 6.097 -6.726 -2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.409 -4.966 -1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.716 -4.434 -2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.137 -4.902 -3.515 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.753 -7.343 -1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.452 -7.382 -3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.581 -8.544 -2.686 1.00 0.00 H new ATOM 92 N LYS A 6 6.692 -4.789 -5.436 1.00 0.00 N ATOM 93 CA LYS A 6 7.572 -3.680 -5.781 1.00 0.00 C ATOM 94 C LYS A 6 6.921 -2.344 -5.440 1.00 0.00 C ATOM 95 O LYS A 6 5.792 -2.070 -5.846 1.00 0.00 O ATOM 96 CB LYS A 6 7.925 -3.725 -7.269 1.00 0.00 C ATOM 97 CG LYS A 6 6.716 -3.621 -8.184 1.00 0.00 C ATOM 98 CD LYS A 6 7.111 -3.171 -9.580 1.00 0.00 C ATOM 99 CE LYS A 6 7.484 -1.697 -9.604 1.00 0.00 C ATOM 100 NZ LYS A 6 6.298 -0.820 -9.409 1.00 0.00 N ATOM 0 H LYS A 6 5.825 -4.822 -5.973 1.00 0.00 H new ATOM 0 HA LYS A 6 8.486 -3.778 -5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.613 -2.910 -7.496 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.452 -4.655 -7.481 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.217 -4.588 -8.240 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.999 -2.916 -7.763 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.954 -3.767 -9.931 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.285 -3.350 -10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.217 -1.495 -8.823 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.959 -1.458 -10.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.600 0.175 -9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.624 -0.969 -10.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.839 -1.052 -8.505 1.00 0.00 H new ATOM 114 N THR A 7 7.639 -1.515 -4.688 1.00 0.00 N ATOM 115 CA THR A 7 7.130 -0.208 -4.290 1.00 0.00 C ATOM 116 C THR A 7 7.501 0.857 -5.317 1.00 0.00 C ATOM 117 O THR A 7 8.074 0.554 -6.363 1.00 0.00 O ATOM 118 CB THR A 7 7.678 0.178 -2.916 1.00 0.00 C ATOM 119 OG1 THR A 7 9.088 0.304 -2.956 1.00 0.00 O ATOM 120 CG2 THR A 7 7.337 -0.822 -1.833 1.00 0.00 C ATOM 0 H THR A 7 8.575 -1.726 -4.342 1.00 0.00 H new ATOM 0 HA THR A 7 6.043 -0.270 -4.236 1.00 0.00 H new ATOM 0 HB THR A 7 7.203 1.128 -2.673 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.434 0.395 -2.044 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.756 -0.487 -0.884 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.254 -0.905 -1.743 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.755 -1.795 -2.091 1.00 0.00 H new ATOM 128 N LEU A 8 7.169 2.107 -5.010 1.00 0.00 N ATOM 129 CA LEU A 8 7.465 3.219 -5.905 1.00 0.00 C ATOM 130 C LEU A 8 8.897 3.713 -5.712 1.00 0.00 C ATOM 131 O LEU A 8 9.356 4.605 -6.425 1.00 0.00 O ATOM 132 CB LEU A 8 6.482 4.367 -5.667 1.00 0.00 C ATOM 133 CG LEU A 8 5.623 4.743 -6.875 1.00 0.00 C ATOM 134 CD1 LEU A 8 6.491 5.304 -7.991 1.00 0.00 C ATOM 135 CD2 LEU A 8 4.833 3.539 -7.364 1.00 0.00 C ATOM 0 H LEU A 8 6.695 2.375 -4.148 1.00 0.00 H new ATOM 0 HA LEU A 8 7.360 2.863 -6.930 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.823 4.096 -4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.043 5.246 -5.351 1.00 0.00 H new ATOM 0 HG LEU A 8 4.916 5.514 -6.569 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.864 5.566 -8.843 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.011 6.194 -7.635 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.221 4.554 -8.296 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.228 3.826 -8.224 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.522 2.745 -7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.183 3.182 -6.566 1.00 0.00 H new ATOM 147 N THR A 9 9.599 3.126 -4.746 1.00 0.00 N ATOM 148 CA THR A 9 10.979 3.510 -4.466 1.00 0.00 C ATOM 149 C THR A 9 11.954 2.661 -5.274 1.00 0.00 C ATOM 150 O THR A 9 13.144 2.603 -4.967 1.00 0.00 O ATOM 151 CB THR A 9 11.276 3.370 -2.973 1.00 0.00 C ATOM 152 OG1 THR A 9 11.545 2.019 -2.638 1.00 0.00 O ATOM 153 CG2 THR A 9 10.142 3.845 -2.089 1.00 0.00 C ATOM 0 H THR A 9 9.236 2.385 -4.146 1.00 0.00 H new ATOM 0 HA THR A 9 11.107 4.553 -4.757 1.00 0.00 H new ATOM 0 HB THR A 9 12.145 4.002 -2.792 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.784 1.460 -2.898 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.419 3.718 -1.042 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.944 4.898 -2.286 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.246 3.261 -2.301 1.00 0.00 H new ATOM 161 N GLY A 10 11.441 2.004 -6.309 1.00 0.00 N ATOM 162 CA GLY A 10 12.278 1.167 -7.147 1.00 0.00 C ATOM 163 C GLY A 10 12.802 -0.053 -6.414 1.00 0.00 C ATOM 164 O GLY A 10 13.762 -0.684 -6.855 1.00 0.00 O ATOM 0 H GLY A 10 10.459 2.037 -6.582 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.707 0.846 -8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.119 1.754 -7.516 1.00 0.00 H new ATOM 168 N LYS A 11 12.170 -0.387 -5.294 1.00 0.00 N ATOM 169 CA LYS A 11 12.580 -1.542 -4.501 1.00 0.00 C ATOM 170 C LYS A 11 11.552 -2.664 -4.603 1.00 0.00 C ATOM 171 O LYS A 11 10.348 -2.414 -4.647 1.00 0.00 O ATOM 172 CB LYS A 11 12.774 -1.140 -3.039 1.00 0.00 C ATOM 173 CG LYS A 11 14.016 -1.744 -2.402 1.00 0.00 C ATOM 174 CD LYS A 11 13.798 -2.038 -0.927 1.00 0.00 C ATOM 175 CE LYS A 11 13.622 -3.528 -0.675 1.00 0.00 C ATOM 176 NZ LYS A 11 12.635 -4.136 -1.608 1.00 0.00 N ATOM 0 H LYS A 11 11.373 0.124 -4.915 1.00 0.00 H new ATOM 0 HA LYS A 11 13.528 -1.907 -4.897 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.834 -0.054 -2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.897 -1.445 -2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.282 -2.664 -2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.856 -1.058 -2.517 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.647 -1.669 -0.352 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.917 -1.502 -0.574 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.583 -4.031 -0.785 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.295 -3.686 0.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.226 -4.988 -1.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.878 -3.451 -1.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.110 -4.394 -2.496 1.00 0.00 H new ATOM 190 N THR A 12 12.036 -3.901 -4.638 1.00 0.00 N ATOM 191 CA THR A 12 11.159 -5.062 -4.734 1.00 0.00 C ATOM 192 C THR A 12 11.470 -6.075 -3.637 1.00 0.00 C ATOM 193 O THR A 12 12.546 -6.673 -3.618 1.00 0.00 O ATOM 194 CB THR A 12 11.301 -5.721 -6.107 1.00 0.00 C ATOM 195 OG1 THR A 12 11.323 -4.746 -7.133 1.00 0.00 O ATOM 196 CG2 THR A 12 10.183 -6.693 -6.421 1.00 0.00 C ATOM 0 H THR A 12 13.030 -4.125 -4.601 1.00 0.00 H new ATOM 0 HA THR A 12 10.132 -4.720 -4.605 1.00 0.00 H new ATOM 0 HB THR A 12 12.241 -6.272 -6.067 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.416 -5.188 -8.003 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.343 -7.125 -7.409 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.171 -7.487 -5.675 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.229 -6.167 -6.406 1.00 0.00 H new ATOM 204 N LEU A 13 10.521 -6.262 -2.725 1.00 0.00 N ATOM 205 CA LEU A 13 10.693 -7.203 -1.625 1.00 0.00 C ATOM 206 C LEU A 13 9.971 -8.515 -1.915 1.00 0.00 C ATOM 207 O LEU A 13 8.982 -8.541 -2.649 1.00 0.00 O ATOM 208 CB LEU A 13 10.171 -6.598 -0.320 1.00 0.00 C ATOM 209 CG LEU A 13 8.681 -6.819 -0.053 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.483 -7.718 1.157 1.00 0.00 C ATOM 211 CD2 LEU A 13 7.972 -5.489 0.146 1.00 0.00 C ATOM 0 H LEU A 13 9.625 -5.774 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 13 11.758 -7.409 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.739 -7.018 0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.367 -5.526 -0.331 1.00 0.00 H new ATOM 0 HG LEU A 13 8.245 -7.313 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.417 -7.864 1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.956 -8.683 0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.934 -7.253 2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.913 -5.666 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.410 -4.967 0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.084 -4.879 -0.751 1.00 0.00 H new ATOM 223 N THR A 14 10.470 -9.603 -1.335 1.00 0.00 N ATOM 224 CA THR A 14 9.869 -10.917 -1.534 1.00 0.00 C ATOM 225 C THR A 14 9.001 -11.304 -0.341 1.00 0.00 C ATOM 226 O THR A 14 9.338 -11.013 0.806 1.00 0.00 O ATOM 227 CB THR A 14 10.957 -11.970 -1.751 1.00 0.00 C ATOM 228 OG1 THR A 14 11.659 -11.724 -2.956 1.00 0.00 O ATOM 229 CG2 THR A 14 10.418 -13.383 -1.813 1.00 0.00 C ATOM 0 H THR A 14 11.287 -9.600 -0.725 1.00 0.00 H new ATOM 0 HA THR A 14 9.236 -10.870 -2.420 1.00 0.00 H new ATOM 0 HB THR A 14 11.616 -11.888 -0.887 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.352 -12.407 -3.076 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.241 -14.080 -1.969 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.913 -13.621 -0.877 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.711 -13.467 -2.638 1.00 0.00 H new ATOM 237 N VAL A 15 7.881 -11.962 -0.621 1.00 0.00 N ATOM 238 CA VAL A 15 6.964 -12.390 0.428 1.00 0.00 C ATOM 239 C VAL A 15 6.329 -13.733 0.085 1.00 0.00 C ATOM 240 O VAL A 15 6.477 -14.236 -1.029 1.00 0.00 O ATOM 241 CB VAL A 15 5.850 -11.353 0.660 1.00 0.00 C ATOM 242 CG1 VAL A 15 6.314 -10.277 1.628 1.00 0.00 C ATOM 243 CG2 VAL A 15 5.408 -10.740 -0.659 1.00 0.00 C ATOM 0 H VAL A 15 7.587 -12.210 -1.566 1.00 0.00 H new ATOM 0 HA VAL A 15 7.551 -12.489 1.341 1.00 0.00 H new ATOM 0 HB VAL A 15 4.993 -11.861 1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.513 -9.554 1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.575 -10.734 2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.188 -9.771 1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.620 -10.010 -0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.256 -10.247 -1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.030 -11.523 -1.316 1.00 0.00 H new ATOM 253 N GLU A 16 5.622 -14.311 1.051 1.00 0.00 N ATOM 254 CA GLU A 16 4.964 -15.597 0.851 1.00 0.00 C ATOM 255 C GLU A 16 3.489 -15.519 1.235 1.00 0.00 C ATOM 256 O GLU A 16 3.149 -15.166 2.364 1.00 0.00 O ATOM 257 CB GLU A 16 5.659 -16.686 1.674 1.00 0.00 C ATOM 258 CG GLU A 16 6.938 -16.220 2.350 1.00 0.00 C ATOM 259 CD GLU A 16 8.108 -16.135 1.391 1.00 0.00 C ATOM 260 OE1 GLU A 16 8.136 -16.918 0.419 1.00 0.00 O ATOM 261 OE2 GLU A 16 8.996 -15.285 1.611 1.00 0.00 O ATOM 0 H GLU A 16 5.490 -13.909 1.979 1.00 0.00 H new ATOM 0 HA GLU A 16 5.034 -15.851 -0.207 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.969 -17.050 2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.889 -17.529 1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.771 -15.242 2.800 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.187 -16.905 3.160 1.00 0.00 H new ATOM 268 N LEU A 17 2.619 -15.853 0.288 1.00 0.00 N ATOM 269 CA LEU A 17 1.181 -15.822 0.527 1.00 0.00 C ATOM 270 C LEU A 17 0.467 -16.871 -0.318 1.00 0.00 C ATOM 271 O LEU A 17 0.853 -17.134 -1.457 1.00 0.00 O ATOM 272 CB LEU A 17 0.620 -14.434 0.218 1.00 0.00 C ATOM 273 CG LEU A 17 -0.121 -13.762 1.377 1.00 0.00 C ATOM 274 CD1 LEU A 17 0.868 -13.181 2.377 1.00 0.00 C ATOM 275 CD2 LEU A 17 -1.053 -12.680 0.857 1.00 0.00 C ATOM 0 H LEU A 17 2.884 -16.148 -0.652 1.00 0.00 H new ATOM 0 HA LEU A 17 1.008 -16.049 1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.441 -13.788 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.060 -14.514 -0.630 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.721 -14.516 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.324 -12.707 3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.496 -13.979 2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.494 -12.440 1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.571 -12.213 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.474 -11.927 0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.783 -13.123 0.180 1.00 0.00 H new ATOM 287 N GLU A 18 -0.577 -17.467 0.248 1.00 0.00 N ATOM 288 CA GLU A 18 -1.346 -18.487 -0.450 1.00 0.00 C ATOM 289 C GLU A 18 -2.616 -17.895 -1.051 1.00 0.00 C ATOM 290 O GLU A 18 -3.133 -16.887 -0.571 1.00 0.00 O ATOM 291 CB GLU A 18 -1.702 -19.622 0.509 1.00 0.00 C ATOM 292 CG GLU A 18 -0.587 -20.630 0.699 1.00 0.00 C ATOM 293 CD GLU A 18 -0.067 -20.665 2.122 1.00 0.00 C ATOM 294 OE1 GLU A 18 0.209 -19.583 2.680 1.00 0.00 O ATOM 295 OE2 GLU A 18 0.063 -21.776 2.679 1.00 0.00 O ATOM 0 H GLU A 18 -0.909 -17.260 1.190 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.734 -18.881 -1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.966 -19.198 1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.587 -20.138 0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.948 -21.621 0.424 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.233 -20.390 0.022 1.00 0.00 H new ATOM 302 N PRO A 19 -3.132 -18.522 -2.117 1.00 0.00 N ATOM 303 CA PRO A 19 -4.347 -18.064 -2.797 1.00 0.00 C ATOM 304 C PRO A 19 -5.495 -17.813 -1.825 1.00 0.00 C ATOM 305 O PRO A 19 -6.376 -16.994 -2.088 1.00 0.00 O ATOM 306 CB PRO A 19 -4.684 -19.225 -3.734 1.00 0.00 C ATOM 307 CG PRO A 19 -3.376 -19.887 -4.000 1.00 0.00 C ATOM 308 CD PRO A 19 -2.566 -19.730 -2.741 1.00 0.00 C ATOM 0 HA PRO A 19 -4.196 -17.114 -3.309 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.390 -19.915 -3.272 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.143 -18.869 -4.657 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.515 -20.940 -4.246 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.871 -19.426 -4.849 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.661 -20.600 -2.091 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.505 -19.610 -2.959 1.00 0.00 H new ATOM 316 N SER A 20 -5.479 -18.523 -0.702 1.00 0.00 N ATOM 317 CA SER A 20 -6.519 -18.376 0.310 1.00 0.00 C ATOM 318 C SER A 20 -6.381 -17.048 1.047 1.00 0.00 C ATOM 319 O SER A 20 -7.375 -16.433 1.432 1.00 0.00 O ATOM 320 CB SER A 20 -6.454 -19.535 1.308 1.00 0.00 C ATOM 321 OG SER A 20 -5.277 -19.466 2.094 1.00 0.00 O ATOM 0 H SER A 20 -4.758 -19.206 -0.470 1.00 0.00 H new ATOM 0 HA SER A 20 -7.485 -18.391 -0.194 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.330 -19.510 1.956 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.481 -20.483 0.771 1.00 0.00 H new ATOM 0 HG SER A 20 -5.260 -20.216 2.724 1.00 0.00 H new ATOM 327 N ASP A 21 -5.141 -16.610 1.239 1.00 0.00 N ATOM 328 CA ASP A 21 -4.871 -15.354 1.928 1.00 0.00 C ATOM 329 C ASP A 21 -5.707 -14.221 1.343 1.00 0.00 C ATOM 330 O ASP A 21 -6.170 -14.301 0.205 1.00 0.00 O ATOM 331 CB ASP A 21 -3.386 -15.006 1.837 1.00 0.00 C ATOM 332 CG ASP A 21 -2.569 -15.665 2.932 1.00 0.00 C ATOM 333 OD1 ASP A 21 -2.742 -15.287 4.111 1.00 0.00 O ATOM 334 OD2 ASP A 21 -1.756 -16.557 2.612 1.00 0.00 O ATOM 0 H ASP A 21 -4.307 -17.107 0.927 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.144 -15.479 2.976 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.002 -15.315 0.865 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.265 -13.924 1.898 1.00 0.00 H new ATOM 339 N THR A 22 -5.895 -13.164 2.127 1.00 0.00 N ATOM 340 CA THR A 22 -6.674 -12.013 1.685 1.00 0.00 C ATOM 341 C THR A 22 -5.822 -10.748 1.683 1.00 0.00 C ATOM 342 O THR A 22 -4.831 -10.652 2.409 1.00 0.00 O ATOM 343 CB THR A 22 -7.892 -11.818 2.590 1.00 0.00 C ATOM 344 OG1 THR A 22 -7.491 -11.485 3.907 1.00 0.00 O ATOM 345 CG2 THR A 22 -8.776 -13.043 2.675 1.00 0.00 C ATOM 0 H THR A 22 -5.519 -13.081 3.071 1.00 0.00 H new ATOM 0 HA THR A 22 -7.012 -12.204 0.667 1.00 0.00 H new ATOM 0 HB THR A 22 -8.463 -11.008 2.135 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.284 -11.363 4.469 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.621 -12.837 3.332 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.143 -13.296 1.681 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.202 -13.879 3.074 1.00 0.00 H new ATOM 353 N VAL A 23 -6.214 -9.778 0.864 1.00 0.00 N ATOM 354 CA VAL A 23 -5.486 -8.518 0.770 1.00 0.00 C ATOM 355 C VAL A 23 -5.076 -8.021 2.151 1.00 0.00 C ATOM 356 O VAL A 23 -4.009 -7.428 2.318 1.00 0.00 O ATOM 357 CB VAL A 23 -6.329 -7.432 0.075 1.00 0.00 C ATOM 358 CG1 VAL A 23 -5.513 -6.163 -0.117 1.00 0.00 C ATOM 359 CG2 VAL A 23 -6.861 -7.939 -1.257 1.00 0.00 C ATOM 0 H VAL A 23 -7.031 -9.840 0.256 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.594 -8.710 0.174 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.180 -7.196 0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.125 -5.408 -0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.187 -5.790 0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.641 -6.381 -0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.454 -7.158 -1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.026 -8.206 -1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.485 -8.817 -1.089 1.00 0.00 H new ATOM 369 N GLU A 24 -5.929 -8.268 3.140 1.00 0.00 N ATOM 370 CA GLU A 24 -5.655 -7.848 4.508 1.00 0.00 C ATOM 371 C GLU A 24 -4.368 -8.483 5.021 1.00 0.00 C ATOM 372 O GLU A 24 -3.434 -7.784 5.415 1.00 0.00 O ATOM 373 CB GLU A 24 -6.822 -8.222 5.423 1.00 0.00 C ATOM 374 CG GLU A 24 -7.181 -7.138 6.426 1.00 0.00 C ATOM 375 CD GLU A 24 -7.033 -7.600 7.861 1.00 0.00 C ATOM 376 OE1 GLU A 24 -5.928 -7.449 8.423 1.00 0.00 O ATOM 377 OE2 GLU A 24 -8.024 -8.112 8.425 1.00 0.00 O ATOM 0 H GLU A 24 -6.816 -8.757 3.019 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.533 -6.765 4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.696 -8.443 4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.572 -9.136 5.962 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.544 -6.269 6.260 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.209 -6.817 6.256 1.00 0.00 H new ATOM 384 N ASN A 25 -4.323 -9.812 5.010 1.00 0.00 N ATOM 385 CA ASN A 25 -3.147 -10.538 5.472 1.00 0.00 C ATOM 386 C ASN A 25 -1.887 -9.999 4.804 1.00 0.00 C ATOM 387 O ASN A 25 -0.897 -9.696 5.472 1.00 0.00 O ATOM 388 CB ASN A 25 -3.295 -12.032 5.181 1.00 0.00 C ATOM 389 CG ASN A 25 -4.661 -12.564 5.574 1.00 0.00 C ATOM 390 OD1 ASN A 25 -5.185 -13.484 4.947 1.00 0.00 O ATOM 391 ND2 ASN A 25 -5.243 -11.984 6.618 1.00 0.00 N ATOM 0 H ASN A 25 -5.086 -10.406 4.687 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.059 -10.395 6.549 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.130 -12.211 4.118 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.524 -12.583 5.720 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.162 -12.299 6.930 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.771 -11.224 7.108 1.00 0.00 H new ATOM 398 N LEU A 26 -1.932 -9.875 3.480 1.00 0.00 N ATOM 399 CA LEU A 26 -0.794 -9.366 2.726 1.00 0.00 C ATOM 400 C LEU A 26 -0.276 -8.076 3.352 1.00 0.00 C ATOM 401 O LEU A 26 0.927 -7.911 3.558 1.00 0.00 O ATOM 402 CB LEU A 26 -1.187 -9.120 1.268 1.00 0.00 C ATOM 403 CG LEU A 26 -0.029 -8.752 0.340 1.00 0.00 C ATOM 404 CD1 LEU A 26 1.232 -9.505 0.735 1.00 0.00 C ATOM 405 CD2 LEU A 26 -0.395 -9.042 -1.108 1.00 0.00 C ATOM 0 H LEU A 26 -2.742 -10.120 2.910 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.001 -10.113 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.671 -10.017 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.926 -8.320 1.237 1.00 0.00 H new ATOM 0 HG LEU A 26 0.166 -7.684 0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.045 -9.230 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.504 -9.247 1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.052 -10.578 0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.440 -8.774 -1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.617 -10.103 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.271 -8.457 -1.386 1.00 0.00 H new ATOM 417 N LYS A 27 -1.195 -7.166 3.659 1.00 0.00 N ATOM 418 CA LYS A 27 -0.833 -5.894 4.271 1.00 0.00 C ATOM 419 C LYS A 27 -0.077 -6.125 5.573 1.00 0.00 C ATOM 420 O LYS A 27 0.932 -5.473 5.842 1.00 0.00 O ATOM 421 CB LYS A 27 -2.085 -5.054 4.532 1.00 0.00 C ATOM 422 CG LYS A 27 -3.154 -5.206 3.463 1.00 0.00 C ATOM 423 CD LYS A 27 -3.770 -3.867 3.095 1.00 0.00 C ATOM 424 CE LYS A 27 -3.771 -3.647 1.592 1.00 0.00 C ATOM 425 NZ LYS A 27 -5.012 -2.967 1.129 1.00 0.00 N ATOM 0 H LYS A 27 -2.194 -7.286 3.494 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.184 -5.353 3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.506 -5.335 5.497 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.800 -4.004 4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.719 -5.664 2.575 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.933 -5.880 3.820 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.792 -3.820 3.471 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.215 -3.064 3.581 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.904 -3.049 1.313 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.673 -4.607 1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.972 -2.836 0.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.838 -3.550 1.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.093 -2.040 1.593 1.00 0.00 H new ATOM 439 N ALA A 28 -0.569 -7.064 6.376 1.00 0.00 N ATOM 440 CA ALA A 28 0.064 -7.388 7.647 1.00 0.00 C ATOM 441 C ALA A 28 1.538 -7.712 7.446 1.00 0.00 C ATOM 442 O ALA A 28 2.390 -7.294 8.230 1.00 0.00 O ATOM 443 CB ALA A 28 -0.652 -8.556 8.311 1.00 0.00 C ATOM 0 H ALA A 28 -1.403 -7.613 6.168 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.009 -6.518 8.300 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.168 -8.787 9.260 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.694 -8.290 8.490 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.607 -9.428 7.659 1.00 0.00 H new ATOM 449 N LYS A 29 1.833 -8.456 6.384 1.00 0.00 N ATOM 450 CA LYS A 29 3.207 -8.830 6.072 1.00 0.00 C ATOM 451 C LYS A 29 4.036 -7.595 5.740 1.00 0.00 C ATOM 452 O LYS A 29 5.186 -7.474 6.162 1.00 0.00 O ATOM 453 CB LYS A 29 3.239 -9.812 4.899 1.00 0.00 C ATOM 454 CG LYS A 29 2.276 -10.979 5.054 1.00 0.00 C ATOM 455 CD LYS A 29 2.875 -12.087 5.906 1.00 0.00 C ATOM 456 CE LYS A 29 2.695 -13.449 5.255 1.00 0.00 C ATOM 457 NZ LYS A 29 3.739 -14.416 5.693 1.00 0.00 N ATOM 0 H LYS A 29 1.139 -8.811 5.726 1.00 0.00 H new ATOM 0 HA LYS A 29 3.637 -9.314 6.949 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.001 -9.275 3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.252 -10.200 4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.349 -10.629 5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.019 -11.373 4.071 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.936 -11.894 6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.404 -12.087 6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.709 -13.842 5.503 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.732 -13.341 4.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.581 -15.332 5.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.679 -14.053 5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.687 -14.539 6.724 1.00 0.00 H new ATOM 471 N ILE A 30 3.442 -6.678 4.983 1.00 0.00 N ATOM 472 CA ILE A 30 4.122 -5.448 4.596 1.00 0.00 C ATOM 473 C ILE A 30 4.317 -4.531 5.799 1.00 0.00 C ATOM 474 O ILE A 30 5.138 -3.615 5.769 1.00 0.00 O ATOM 475 CB ILE A 30 3.338 -4.690 3.509 1.00 0.00 C ATOM 476 CG1 ILE A 30 3.153 -5.573 2.273 1.00 0.00 C ATOM 477 CG2 ILE A 30 4.054 -3.398 3.141 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.246 -4.964 1.226 1.00 0.00 C ATOM 0 H ILE A 30 2.491 -6.764 4.625 1.00 0.00 H new ATOM 0 HA ILE A 30 5.095 -5.735 4.196 1.00 0.00 H new ATOM 0 HB ILE A 30 2.354 -4.437 3.903 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.128 -5.770 1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.744 -6.535 2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.487 -2.874 2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.138 -2.765 4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.050 -3.629 2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.161 -5.644 0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.259 -4.793 1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.665 -4.016 0.889 1.00 0.00 H new ATOM 490 N GLN A 31 3.555 -4.788 6.857 1.00 0.00 N ATOM 491 CA GLN A 31 3.643 -3.989 8.074 1.00 0.00 C ATOM 492 C GLN A 31 4.672 -4.574 9.036 1.00 0.00 C ATOM 493 O GLN A 31 5.248 -3.860 9.855 1.00 0.00 O ATOM 494 CB GLN A 31 2.276 -3.912 8.759 1.00 0.00 C ATOM 495 CG GLN A 31 2.180 -2.805 9.796 1.00 0.00 C ATOM 496 CD GLN A 31 0.774 -2.251 9.928 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.150 -2.706 9.256 1.00 0.00 O ATOM 498 NE2 GLN A 31 0.608 -1.261 10.798 1.00 0.00 N ATOM 0 H GLN A 31 2.870 -5.543 6.896 1.00 0.00 H new ATOM 0 HA GLN A 31 3.961 -2.984 7.796 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.507 -3.758 8.002 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.064 -4.868 9.238 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.508 -3.188 10.762 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.861 -1.998 9.525 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.403 -0.915 11.334 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.315 -0.847 10.930 1.00 0.00 H new ATOM 507 N ASP A 32 4.899 -5.879 8.928 1.00 0.00 N ATOM 508 CA ASP A 32 5.858 -6.563 9.787 1.00 0.00 C ATOM 509 C ASP A 32 7.269 -6.465 9.219 1.00 0.00 C ATOM 510 O ASP A 32 8.247 -6.417 9.964 1.00 0.00 O ATOM 511 CB ASP A 32 5.466 -8.026 9.958 1.00 0.00 C ATOM 512 CG ASP A 32 5.316 -8.420 11.415 1.00 0.00 C ATOM 513 OD1 ASP A 32 5.022 -7.532 12.242 1.00 0.00 O ATOM 514 OD2 ASP A 32 5.494 -9.616 11.727 1.00 0.00 O ATOM 0 H ASP A 32 4.431 -6.484 8.253 1.00 0.00 H new ATOM 0 HA ASP A 32 5.846 -6.074 10.761 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.527 -8.211 9.436 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.220 -8.658 9.490 1.00 0.00 H new ATOM 519 N LYS A 33 7.368 -6.436 7.894 1.00 0.00 N ATOM 520 CA LYS A 33 8.662 -6.345 7.226 1.00 0.00 C ATOM 521 C LYS A 33 9.023 -4.892 6.934 1.00 0.00 C ATOM 522 O LYS A 33 10.117 -4.435 7.264 1.00 0.00 O ATOM 523 CB LYS A 33 8.645 -7.151 5.927 1.00 0.00 C ATOM 524 CG LYS A 33 8.785 -8.650 6.139 1.00 0.00 C ATOM 525 CD LYS A 33 7.434 -9.345 6.115 1.00 0.00 C ATOM 526 CE LYS A 33 7.551 -10.806 6.517 1.00 0.00 C ATOM 527 NZ LYS A 33 6.827 -11.702 5.575 1.00 0.00 N ATOM 0 H LYS A 33 6.569 -6.474 7.262 1.00 0.00 H new ATOM 0 HA LYS A 33 9.418 -6.760 7.893 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.713 -6.953 5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.455 -6.806 5.285 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.425 -9.070 5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.276 -8.839 7.094 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.749 -8.834 6.792 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.006 -9.275 5.115 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.603 -11.090 6.551 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.152 -10.939 7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.291 -12.412 6.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.171 -11.140 4.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.512 -12.181 4.956 1.00 0.00 H new ATOM 541 N GLU A 34 8.097 -4.171 6.311 1.00 0.00 N ATOM 542 CA GLU A 34 8.318 -2.769 5.973 1.00 0.00 C ATOM 543 C GLU A 34 7.660 -1.850 6.997 1.00 0.00 C ATOM 544 O GLU A 34 8.269 -0.888 7.465 1.00 0.00 O ATOM 545 CB GLU A 34 7.773 -2.467 4.576 1.00 0.00 C ATOM 546 CG GLU A 34 8.411 -3.306 3.481 1.00 0.00 C ATOM 547 CD GLU A 34 9.853 -2.919 3.216 1.00 0.00 C ATOM 548 OE1 GLU A 34 10.193 -1.731 3.401 1.00 0.00 O ATOM 549 OE2 GLU A 34 10.642 -3.804 2.825 1.00 0.00 O ATOM 0 H GLU A 34 7.186 -4.534 6.030 1.00 0.00 H new ATOM 0 HA GLU A 34 9.392 -2.585 5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.696 -2.635 4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.932 -1.412 4.353 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.367 -4.358 3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.835 -3.197 2.562 1.00 0.00 H new ATOM 556 N GLY A 35 6.412 -2.153 7.341 1.00 0.00 N ATOM 557 CA GLY A 35 5.693 -1.343 8.307 1.00 0.00 C ATOM 558 C GLY A 35 4.817 -0.296 7.646 1.00 0.00 C ATOM 559 O GLY A 35 4.674 0.815 8.156 1.00 0.00 O ATOM 0 H GLY A 35 5.887 -2.944 6.968 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.075 -1.989 8.930 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.407 -0.851 8.968 1.00 0.00 H new ATOM 563 N ILE A 36 4.230 -0.651 6.508 1.00 0.00 N ATOM 564 CA ILE A 36 3.364 0.267 5.776 1.00 0.00 C ATOM 565 C ILE A 36 1.900 0.052 6.144 1.00 0.00 C ATOM 566 O ILE A 36 1.391 -1.067 6.086 1.00 0.00 O ATOM 567 CB ILE A 36 3.528 0.101 4.254 1.00 0.00 C ATOM 568 CG1 ILE A 36 4.998 -0.135 3.900 1.00 0.00 C ATOM 569 CG2 ILE A 36 2.991 1.324 3.526 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.294 0.004 2.423 1.00 0.00 C ATOM 0 H ILE A 36 4.338 -1.567 6.073 1.00 0.00 H new ATOM 0 HA ILE A 36 3.663 1.277 6.058 1.00 0.00 H new ATOM 0 HB ILE A 36 2.953 -0.768 3.934 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.615 0.573 4.454 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.286 -1.134 4.228 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.114 1.191 2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.933 1.450 3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.540 2.209 3.847 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.354 -0.177 2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.704 -0.722 1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.037 1.011 2.094 1.00 0.00 H new ATOM 582 N PRO A 37 1.203 1.131 6.529 1.00 0.00 N ATOM 583 CA PRO A 37 -0.212 1.069 6.910 1.00 0.00 C ATOM 584 C PRO A 37 -1.087 0.517 5.790 1.00 0.00 C ATOM 585 O PRO A 37 -0.945 0.900 4.629 1.00 0.00 O ATOM 586 CB PRO A 37 -0.577 2.528 7.201 1.00 0.00 C ATOM 587 CG PRO A 37 0.724 3.203 7.474 1.00 0.00 C ATOM 588 CD PRO A 37 1.740 2.498 6.623 1.00 0.00 C ATOM 0 HA PRO A 37 -0.373 0.403 7.757 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.088 2.984 6.353 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.248 2.604 8.056 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.674 4.263 7.225 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.985 3.136 8.530 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.836 2.962 5.641 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.729 2.512 7.080 1.00 0.00 H new ATOM 596 N PRO A 38 -2.009 -0.396 6.129 1.00 0.00 N ATOM 597 CA PRO A 38 -2.916 -1.009 5.153 1.00 0.00 C ATOM 598 C PRO A 38 -3.682 0.032 4.342 1.00 0.00 C ATOM 599 O PRO A 38 -3.893 -0.135 3.141 1.00 0.00 O ATOM 600 CB PRO A 38 -3.878 -1.824 6.020 1.00 0.00 C ATOM 601 CG PRO A 38 -3.120 -2.099 7.273 1.00 0.00 C ATOM 602 CD PRO A 38 -2.238 -0.902 7.493 1.00 0.00 C ATOM 0 HA PRO A 38 -2.378 -1.606 4.417 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.793 -1.269 6.225 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.171 -2.749 5.524 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.797 -2.245 8.115 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.527 -3.009 7.179 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.722 -0.156 8.123 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.304 -1.175 7.983 1.00 0.00 H new ATOM 610 N ASP A 39 -4.096 1.105 5.008 1.00 0.00 N ATOM 611 CA ASP A 39 -4.841 2.173 4.352 1.00 0.00 C ATOM 612 C ASP A 39 -3.993 2.851 3.281 1.00 0.00 C ATOM 613 O ASP A 39 -4.508 3.287 2.251 1.00 0.00 O ATOM 614 CB ASP A 39 -5.306 3.204 5.380 1.00 0.00 C ATOM 615 CG ASP A 39 -6.808 3.413 5.353 1.00 0.00 C ATOM 616 OD1 ASP A 39 -7.307 4.005 4.373 1.00 0.00 O ATOM 617 OD2 ASP A 39 -7.484 2.986 6.313 1.00 0.00 O ATOM 0 H ASP A 39 -3.928 1.258 6.002 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.714 1.731 3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.005 2.880 6.376 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.807 4.154 5.189 1.00 0.00 H new ATOM 622 N GLN A 40 -2.690 2.937 3.530 1.00 0.00 N ATOM 623 CA GLN A 40 -1.771 3.565 2.586 1.00 0.00 C ATOM 624 C GLN A 40 -1.178 2.532 1.633 1.00 0.00 C ATOM 625 O GLN A 40 -0.254 2.831 0.877 1.00 0.00 O ATOM 626 CB GLN A 40 -0.650 4.285 3.335 1.00 0.00 C ATOM 627 CG GLN A 40 -1.119 5.516 4.094 1.00 0.00 C ATOM 628 CD GLN A 40 -0.437 6.786 3.622 1.00 0.00 C ATOM 629 OE1 GLN A 40 0.424 6.751 2.743 1.00 0.00 O ATOM 630 NE2 GLN A 40 -0.820 7.915 4.206 1.00 0.00 N ATOM 0 H GLN A 40 -2.247 2.580 4.377 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.334 4.292 2.001 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.188 3.590 4.036 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.121 4.579 2.623 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.197 5.622 3.977 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.926 5.378 5.158 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.538 7.896 4.930 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.397 8.801 3.930 1.00 0.00 H new ATOM 639 N GLN A 41 -1.713 1.316 1.674 1.00 0.00 N ATOM 640 CA GLN A 41 -1.231 0.242 0.814 1.00 0.00 C ATOM 641 C GLN A 41 -2.081 0.128 -0.448 1.00 0.00 C ATOM 642 O GLN A 41 -3.099 -0.563 -0.463 1.00 0.00 O ATOM 643 CB GLN A 41 -1.243 -1.089 1.568 1.00 0.00 C ATOM 644 CG GLN A 41 0.102 -1.456 2.174 1.00 0.00 C ATOM 645 CD GLN A 41 0.094 -2.828 2.817 1.00 0.00 C ATOM 646 OE1 GLN A 41 -0.037 -3.846 2.135 1.00 0.00 O ATOM 647 NE2 GLN A 41 0.235 -2.864 4.136 1.00 0.00 N ATOM 0 H GLN A 41 -2.479 1.050 2.293 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.208 0.480 0.522 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.989 -1.041 2.361 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.553 -1.881 0.886 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.867 -1.427 1.398 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.376 -0.710 2.920 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.341 -1.996 4.661 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.238 -3.759 4.624 1.00 0.00 H new ATOM 656 N ARG A 42 -1.654 0.809 -1.506 1.00 0.00 N ATOM 657 CA ARG A 42 -2.373 0.782 -2.773 1.00 0.00 C ATOM 658 C ARG A 42 -1.764 -0.254 -3.714 1.00 0.00 C ATOM 659 O ARG A 42 -0.809 0.031 -4.432 1.00 0.00 O ATOM 660 CB ARG A 42 -2.345 2.163 -3.430 1.00 0.00 C ATOM 661 CG ARG A 42 -3.542 2.437 -4.325 1.00 0.00 C ATOM 662 CD ARG A 42 -3.892 3.916 -4.349 1.00 0.00 C ATOM 663 NE ARG A 42 -4.464 4.323 -5.629 1.00 0.00 N ATOM 664 CZ ARG A 42 -4.462 5.576 -6.070 1.00 0.00 C ATOM 665 NH1 ARG A 42 -3.920 6.539 -5.336 1.00 0.00 N ATOM 666 NH2 ARG A 42 -5.002 5.870 -7.245 1.00 0.00 N ATOM 0 H ARG A 42 -0.813 1.386 -1.511 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.408 0.506 -2.572 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.302 2.925 -2.652 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.433 2.257 -4.019 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.326 2.097 -5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.400 1.865 -3.972 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.601 4.134 -3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.996 4.504 -4.149 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.889 3.606 -6.217 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.504 6.318 -4.431 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.919 7.501 -5.676 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.420 5.133 -7.813 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.999 6.833 -7.581 1.00 0.00 H new ATOM 680 N LEU A 43 -2.323 -1.461 -3.700 1.00 0.00 N ATOM 681 CA LEU A 43 -1.830 -2.539 -4.547 1.00 0.00 C ATOM 682 C LEU A 43 -2.534 -2.537 -5.900 1.00 0.00 C ATOM 683 O LEU A 43 -3.761 -2.496 -5.974 1.00 0.00 O ATOM 684 CB LEU A 43 -2.029 -3.890 -3.858 1.00 0.00 C ATOM 685 CG LEU A 43 -1.342 -4.031 -2.499 1.00 0.00 C ATOM 686 CD1 LEU A 43 -1.716 -5.353 -1.846 1.00 0.00 C ATOM 687 CD2 LEU A 43 0.167 -3.918 -2.651 1.00 0.00 C ATOM 0 H LEU A 43 -3.117 -1.715 -3.112 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.765 -2.376 -4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.098 -4.060 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.660 -4.675 -4.518 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.684 -3.221 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.218 -5.436 -0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.796 -5.395 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.403 -6.177 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.640 -4.021 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.526 -4.706 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.418 -2.946 -3.075 1.00 0.00 H new ATOM 699 N ILE A 44 -1.745 -2.584 -6.969 1.00 0.00 N ATOM 700 CA ILE A 44 -2.288 -2.588 -8.322 1.00 0.00 C ATOM 701 C ILE A 44 -1.727 -3.751 -9.134 1.00 0.00 C ATOM 702 O ILE A 44 -0.650 -3.648 -9.721 1.00 0.00 O ATOM 703 CB ILE A 44 -1.978 -1.270 -9.057 1.00 0.00 C ATOM 704 CG1 ILE A 44 -2.150 -0.080 -8.110 1.00 0.00 C ATOM 705 CG2 ILE A 44 -2.877 -1.119 -10.275 1.00 0.00 C ATOM 706 CD1 ILE A 44 -3.595 0.232 -7.786 1.00 0.00 C ATOM 0 H ILE A 44 -0.727 -2.620 -6.924 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.368 -2.698 -8.229 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.942 -1.294 -9.395 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.614 -0.284 -7.183 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.689 0.800 -8.558 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.646 -0.183 -10.784 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.710 -1.953 -10.956 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.920 -1.112 -9.959 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.640 1.086 -7.110 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.131 0.468 -8.705 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.056 -0.633 -7.309 1.00 0.00 H new ATOM 718 N PHE A 45 -2.463 -4.857 -9.162 1.00 0.00 N ATOM 719 CA PHE A 45 -2.039 -6.040 -9.902 1.00 0.00 C ATOM 720 C PHE A 45 -2.797 -6.160 -11.220 1.00 0.00 C ATOM 721 O PHE A 45 -4.027 -6.131 -11.245 1.00 0.00 O ATOM 722 CB PHE A 45 -2.256 -7.298 -9.060 1.00 0.00 C ATOM 723 CG PHE A 45 -1.810 -8.561 -9.741 1.00 0.00 C ATOM 724 CD1 PHE A 45 -0.485 -8.728 -10.126 1.00 0.00 C ATOM 725 CD2 PHE A 45 -2.717 -9.583 -9.999 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.071 -9.892 -10.754 1.00 0.00 C ATOM 727 CE2 PHE A 45 -2.309 -10.750 -10.628 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.984 -10.904 -11.005 1.00 0.00 C ATOM 0 H PHE A 45 -3.356 -4.959 -8.681 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.977 -5.937 -10.123 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.717 -7.193 -8.119 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.314 -7.382 -8.813 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.230 -7.942 -9.934 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.750 -9.467 -9.707 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.962 -10.010 -11.047 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.022 -11.537 -10.824 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.663 -11.812 -11.494 1.00 0.00 H new ATOM 738 N ALA A 46 -2.054 -6.294 -12.314 1.00 0.00 N ATOM 739 CA ALA A 46 -2.657 -6.419 -13.636 1.00 0.00 C ATOM 740 C ALA A 46 -3.621 -5.271 -13.912 1.00 0.00 C ATOM 741 O ALA A 46 -4.633 -5.446 -14.590 1.00 0.00 O ATOM 742 CB ALA A 46 -3.373 -7.754 -13.763 1.00 0.00 C ATOM 0 H ALA A 46 -1.034 -6.319 -12.311 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.860 -6.374 -14.378 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.819 -7.835 -14.754 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.659 -8.565 -13.619 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.155 -7.821 -13.007 1.00 0.00 H new ATOM 748 N GLY A 47 -3.299 -4.095 -13.380 1.00 0.00 N ATOM 749 CA GLY A 47 -4.148 -2.934 -13.582 1.00 0.00 C ATOM 750 C GLY A 47 -5.325 -2.902 -12.625 1.00 0.00 C ATOM 751 O GLY A 47 -6.018 -1.891 -12.518 1.00 0.00 O ATOM 0 H GLY A 47 -2.467 -3.926 -12.814 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.556 -2.028 -13.455 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.517 -2.932 -14.608 1.00 0.00 H new ATOM 755 N LYS A 48 -5.550 -4.013 -11.929 1.00 0.00 N ATOM 756 CA LYS A 48 -6.651 -4.107 -10.978 1.00 0.00 C ATOM 757 C LYS A 48 -6.191 -3.723 -9.576 1.00 0.00 C ATOM 758 O LYS A 48 -5.264 -4.322 -9.031 1.00 0.00 O ATOM 759 CB LYS A 48 -7.225 -5.525 -10.969 1.00 0.00 C ATOM 760 CG LYS A 48 -8.664 -5.600 -11.453 1.00 0.00 C ATOM 761 CD LYS A 48 -9.441 -6.682 -10.720 1.00 0.00 C ATOM 762 CE LYS A 48 -9.848 -7.806 -11.658 1.00 0.00 C ATOM 763 NZ LYS A 48 -10.374 -7.286 -12.951 1.00 0.00 N ATOM 0 H LYS A 48 -4.985 -4.859 -12.006 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.429 -3.410 -11.290 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.605 -6.163 -11.598 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.169 -5.925 -9.956 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.150 -4.636 -11.303 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.679 -5.802 -12.524 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.832 -7.084 -9.911 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.330 -6.247 -10.264 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.989 -8.450 -11.848 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.608 -8.422 -11.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.062 -7.961 -13.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.839 -6.369 -12.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.588 -7.164 -13.622 1.00 0.00 H new ATOM 777 N GLN A 49 -6.847 -2.724 -8.997 1.00 0.00 N ATOM 778 CA GLN A 49 -6.506 -2.260 -7.658 1.00 0.00 C ATOM 779 C GLN A 49 -7.077 -3.195 -6.597 1.00 0.00 C ATOM 780 O GLN A 49 -8.277 -3.177 -6.321 1.00 0.00 O ATOM 781 CB GLN A 49 -7.031 -0.839 -7.439 1.00 0.00 C ATOM 782 CG GLN A 49 -6.489 -0.176 -6.184 1.00 0.00 C ATOM 783 CD GLN A 49 -7.582 0.439 -5.332 1.00 0.00 C ATOM 784 OE1 GLN A 49 -8.691 -0.089 -5.248 1.00 0.00 O ATOM 785 NE2 GLN A 49 -7.274 1.562 -4.695 1.00 0.00 N ATOM 0 H GLN A 49 -7.618 -2.220 -9.434 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.420 -2.257 -7.567 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.772 -0.228 -8.303 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.119 -0.867 -7.384 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.945 -0.913 -5.594 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.774 0.597 -6.466 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.342 1.965 -4.793 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.969 2.022 -4.107 1.00 0.00 H new ATOM 794 N LEU A 50 -6.211 -4.011 -6.006 1.00 0.00 N ATOM 795 CA LEU A 50 -6.630 -4.954 -4.976 1.00 0.00 C ATOM 796 C LEU A 50 -7.583 -4.293 -3.986 1.00 0.00 C ATOM 797 O LEU A 50 -7.242 -3.293 -3.353 1.00 0.00 O ATOM 798 CB LEU A 50 -5.411 -5.507 -4.235 1.00 0.00 C ATOM 799 CG LEU A 50 -4.421 -6.283 -5.104 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.625 -7.265 -4.259 1.00 0.00 C ATOM 801 CD2 LEU A 50 -5.151 -7.011 -6.222 1.00 0.00 C ATOM 0 H LEU A 50 -5.215 -4.038 -6.223 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.155 -5.775 -5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.884 -4.677 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.757 -6.160 -3.434 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.726 -5.573 -5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.926 -7.808 -4.894 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.072 -6.721 -3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.306 -7.971 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.431 -7.558 -6.831 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.869 -7.710 -5.793 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.677 -6.287 -6.845 1.00 0.00 H new ATOM 813 N GLU A 51 -8.780 -4.857 -3.857 1.00 0.00 N ATOM 814 CA GLU A 51 -9.782 -4.322 -2.943 1.00 0.00 C ATOM 815 C GLU A 51 -9.782 -5.093 -1.627 1.00 0.00 C ATOM 816 O GLU A 51 -10.054 -6.293 -1.598 1.00 0.00 O ATOM 817 CB GLU A 51 -11.170 -4.382 -3.582 1.00 0.00 C ATOM 818 CG GLU A 51 -11.495 -3.175 -4.448 1.00 0.00 C ATOM 819 CD GLU A 51 -12.788 -3.343 -5.222 1.00 0.00 C ATOM 820 OE1 GLU A 51 -13.630 -4.163 -4.801 1.00 0.00 O ATOM 821 OE2 GLU A 51 -12.956 -2.654 -6.250 1.00 0.00 O ATOM 0 H GLU A 51 -9.079 -5.684 -4.374 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.531 -3.282 -2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.242 -5.284 -4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.920 -4.466 -2.795 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.566 -2.289 -3.817 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.677 -3.004 -5.148 1.00 0.00 H new ATOM 828 N ASP A 52 -9.474 -4.394 -0.539 1.00 0.00 N ATOM 829 CA ASP A 52 -9.437 -5.009 0.779 1.00 0.00 C ATOM 830 C ASP A 52 -10.662 -5.889 1.005 1.00 0.00 C ATOM 831 O ASP A 52 -11.790 -5.401 1.050 1.00 0.00 O ATOM 832 CB ASP A 52 -9.361 -3.931 1.861 1.00 0.00 C ATOM 833 CG ASP A 52 -9.970 -2.614 1.419 1.00 0.00 C ATOM 834 OD1 ASP A 52 -11.146 -2.615 0.998 1.00 0.00 O ATOM 835 OD2 ASP A 52 -9.270 -1.582 1.494 1.00 0.00 O ATOM 0 H ASP A 52 -9.246 -3.400 -0.547 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.548 -5.637 0.836 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.876 -4.283 2.755 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.318 -3.771 2.136 1.00 0.00 H new ATOM 840 N GLY A 53 -10.429 -7.190 1.147 1.00 0.00 N ATOM 841 CA GLY A 53 -11.522 -8.119 1.368 1.00 0.00 C ATOM 842 C GLY A 53 -11.571 -9.215 0.322 1.00 0.00 C ATOM 843 O GLY A 53 -12.356 -10.158 0.437 1.00 0.00 O ATOM 0 H GLY A 53 -9.503 -7.617 1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.419 -8.568 2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.466 -7.573 1.363 1.00 0.00 H new ATOM 847 N ARG A 54 -10.731 -9.094 -0.700 1.00 0.00 N ATOM 848 CA ARG A 54 -10.681 -10.084 -1.771 1.00 0.00 C ATOM 849 C ARG A 54 -9.565 -11.094 -1.528 1.00 0.00 C ATOM 850 O ARG A 54 -8.532 -10.764 -0.944 1.00 0.00 O ATOM 851 CB ARG A 54 -10.475 -9.394 -3.121 1.00 0.00 C ATOM 852 CG ARG A 54 -11.709 -8.664 -3.625 1.00 0.00 C ATOM 853 CD ARG A 54 -12.918 -9.582 -3.680 1.00 0.00 C ATOM 854 NE ARG A 54 -13.754 -9.320 -4.848 1.00 0.00 N ATOM 855 CZ ARG A 54 -14.693 -10.153 -5.283 1.00 0.00 C ATOM 856 NH1 ARG A 54 -14.913 -11.296 -4.647 1.00 0.00 N ATOM 857 NH2 ARG A 54 -15.413 -9.845 -6.353 1.00 0.00 N ATOM 0 H ARG A 54 -10.075 -8.320 -0.810 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.632 -10.617 -1.784 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.653 -8.684 -3.035 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.177 -10.139 -3.859 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.924 -7.818 -2.973 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.513 -8.260 -4.618 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.584 -10.619 -3.699 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.511 -9.454 -2.774 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.609 -8.449 -5.358 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.361 -11.536 -3.823 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.634 -11.935 -4.981 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.246 -8.967 -6.844 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.133 -10.486 -6.685 1.00 0.00 H new ATOM 871 N THR A 55 -9.779 -12.326 -1.978 1.00 0.00 N ATOM 872 CA THR A 55 -8.790 -13.385 -1.811 1.00 0.00 C ATOM 873 C THR A 55 -7.848 -13.446 -3.009 1.00 0.00 C ATOM 874 O THR A 55 -8.276 -13.296 -4.154 1.00 0.00 O ATOM 875 CB THR A 55 -9.483 -14.735 -1.621 1.00 0.00 C ATOM 876 OG1 THR A 55 -10.511 -14.909 -2.579 1.00 0.00 O ATOM 877 CG2 THR A 55 -10.100 -14.904 -0.249 1.00 0.00 C ATOM 0 H THR A 55 -10.629 -12.616 -2.461 1.00 0.00 H new ATOM 0 HA THR A 55 -8.201 -13.160 -0.922 1.00 0.00 H new ATOM 0 HB THR A 55 -8.699 -15.482 -1.743 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.203 -14.228 -2.444 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.575 -15.883 -0.182 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.323 -14.824 0.512 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.847 -14.127 -0.088 1.00 0.00 H new ATOM 885 N LEU A 56 -6.567 -13.666 -2.739 1.00 0.00 N ATOM 886 CA LEU A 56 -5.564 -13.747 -3.794 1.00 0.00 C ATOM 887 C LEU A 56 -6.046 -14.633 -4.939 1.00 0.00 C ATOM 888 O LEU A 56 -5.768 -14.361 -6.106 1.00 0.00 O ATOM 889 CB LEU A 56 -4.247 -14.285 -3.236 1.00 0.00 C ATOM 890 CG LEU A 56 -3.570 -13.389 -2.196 1.00 0.00 C ATOM 891 CD1 LEU A 56 -2.075 -13.662 -2.148 1.00 0.00 C ATOM 892 CD2 LEU A 56 -3.837 -11.924 -2.503 1.00 0.00 C ATOM 0 H LEU A 56 -6.198 -13.792 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.401 -12.741 -4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.432 -15.261 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.556 -14.441 -4.064 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.991 -13.618 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.611 -13.016 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.904 -14.705 -1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.637 -13.461 -3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.349 -11.300 -1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.443 -11.681 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.911 -11.738 -2.485 1.00 0.00 H new ATOM 904 N SER A 57 -6.768 -15.695 -4.596 1.00 0.00 N ATOM 905 CA SER A 57 -7.288 -16.620 -5.596 1.00 0.00 C ATOM 906 C SER A 57 -8.342 -15.942 -6.466 1.00 0.00 C ATOM 907 O SER A 57 -8.688 -16.437 -7.539 1.00 0.00 O ATOM 908 CB SER A 57 -7.883 -17.856 -4.920 1.00 0.00 C ATOM 909 OG SER A 57 -9.271 -17.965 -5.183 1.00 0.00 O ATOM 0 H SER A 57 -7.006 -15.936 -3.634 1.00 0.00 H new ATOM 0 HA SER A 57 -6.460 -16.930 -6.234 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.371 -18.750 -5.276 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.717 -17.801 -3.844 1.00 0.00 H new ATOM 0 HG SER A 57 -9.626 -18.764 -4.741 1.00 0.00 H new ATOM 915 N ASP A 58 -8.847 -14.807 -5.996 1.00 0.00 N ATOM 916 CA ASP A 58 -9.862 -14.059 -6.730 1.00 0.00 C ATOM 917 C ASP A 58 -9.236 -13.288 -7.888 1.00 0.00 C ATOM 918 O ASP A 58 -9.923 -12.911 -8.838 1.00 0.00 O ATOM 919 CB ASP A 58 -10.591 -13.095 -5.793 1.00 0.00 C ATOM 920 CG ASP A 58 -11.417 -13.819 -4.748 1.00 0.00 C ATOM 921 OD1 ASP A 58 -11.761 -14.998 -4.976 1.00 0.00 O ATOM 922 OD2 ASP A 58 -11.718 -13.209 -3.700 1.00 0.00 O ATOM 0 H ASP A 58 -8.570 -14.384 -5.110 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.581 -14.770 -7.137 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.862 -12.454 -5.296 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.240 -12.444 -6.379 1.00 0.00 H new ATOM 927 N TYR A 59 -7.931 -13.057 -7.802 1.00 0.00 N ATOM 928 CA TYR A 59 -7.212 -12.332 -8.842 1.00 0.00 C ATOM 929 C TYR A 59 -6.292 -13.268 -9.621 1.00 0.00 C ATOM 930 O TYR A 59 -5.262 -12.848 -10.146 1.00 0.00 O ATOM 931 CB TYR A 59 -6.397 -11.191 -8.230 1.00 0.00 C ATOM 932 CG TYR A 59 -7.244 -10.137 -7.552 1.00 0.00 C ATOM 933 CD1 TYR A 59 -8.187 -9.404 -8.273 1.00 0.00 C ATOM 934 CD2 TYR A 59 -7.102 -9.871 -6.192 1.00 0.00 C ATOM 935 CE1 TYR A 59 -8.964 -8.437 -7.657 1.00 0.00 C ATOM 936 CE2 TYR A 59 -7.877 -8.906 -5.567 1.00 0.00 C ATOM 937 CZ TYR A 59 -8.805 -8.192 -6.303 1.00 0.00 C ATOM 938 OH TYR A 59 -9.576 -7.233 -5.688 1.00 0.00 O ATOM 0 H TYR A 59 -7.349 -13.362 -7.022 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.946 -11.915 -9.531 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.697 -11.605 -7.504 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.803 -10.719 -9.013 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.313 -9.594 -9.329 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.377 -10.425 -5.615 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.689 -7.877 -8.229 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.757 -8.713 -4.511 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.441 -7.167 -6.143 1.00 0.00 H new ATOM 948 N ASN A 60 -6.674 -14.540 -9.688 1.00 0.00 N ATOM 949 CA ASN A 60 -5.886 -15.538 -10.402 1.00 0.00 C ATOM 950 C ASN A 60 -4.394 -15.328 -10.161 1.00 0.00 C ATOM 951 O ASN A 60 -3.615 -15.199 -11.106 1.00 0.00 O ATOM 952 CB ASN A 60 -6.186 -15.480 -11.901 1.00 0.00 C ATOM 953 CG ASN A 60 -6.368 -14.061 -12.401 1.00 0.00 C ATOM 954 OD1 ASN A 60 -7.408 -13.440 -12.180 1.00 0.00 O ATOM 955 ND2 ASN A 60 -5.353 -13.538 -13.079 1.00 0.00 N ATOM 0 H ASN A 60 -7.524 -14.903 -9.257 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.162 -16.522 -10.022 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.372 -15.954 -12.450 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.088 -16.054 -12.110 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.417 -12.586 -13.439 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.509 -14.088 -13.239 1.00 0.00 H new ATOM 962 N LEU A 61 -4.004 -15.295 -8.892 1.00 0.00 N ATOM 963 CA LEU A 61 -2.605 -15.101 -8.527 1.00 0.00 C ATOM 964 C LEU A 61 -1.839 -16.418 -8.586 1.00 0.00 C ATOM 965 O LEU A 61 -2.169 -17.372 -7.881 1.00 0.00 O ATOM 966 CB LEU A 61 -2.502 -14.501 -7.123 1.00 0.00 C ATOM 967 CG LEU A 61 -2.120 -13.019 -7.080 1.00 0.00 C ATOM 968 CD1 LEU A 61 -2.010 -12.539 -5.640 1.00 0.00 C ATOM 969 CD2 LEU A 61 -0.816 -12.783 -7.825 1.00 0.00 C ATOM 0 H LEU A 61 -4.636 -15.400 -8.099 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.161 -14.411 -9.244 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.460 -14.629 -6.618 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.764 -15.068 -6.555 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.905 -12.446 -7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.738 -11.484 -5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.968 -12.672 -5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.245 -13.117 -5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.560 -11.724 -7.784 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.021 -13.367 -7.361 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.931 -13.089 -8.865 1.00 0.00 H new ATOM 981 N GLN A 62 -0.815 -16.464 -9.432 1.00 0.00 N ATOM 982 CA GLN A 62 -0.003 -17.666 -9.584 1.00 0.00 C ATOM 983 C GLN A 62 1.369 -17.481 -8.943 1.00 0.00 C ATOM 984 O GLN A 62 1.788 -16.358 -8.663 1.00 0.00 O ATOM 985 CB GLN A 62 0.157 -18.013 -11.065 1.00 0.00 C ATOM 986 CG GLN A 62 -1.136 -18.453 -11.730 1.00 0.00 C ATOM 987 CD GLN A 62 -0.899 -19.292 -12.969 1.00 0.00 C ATOM 988 OE1 GLN A 62 -0.066 -20.199 -12.968 1.00 0.00 O ATOM 989 NE2 GLN A 62 -1.630 -18.994 -14.036 1.00 0.00 N ATOM 0 H GLN A 62 -0.528 -15.683 -10.022 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.513 -18.486 -9.078 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.550 -17.144 -11.593 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.896 -18.808 -11.166 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.730 -19.025 -11.017 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.720 -17.573 -11.998 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.309 -18.234 -13.993 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.513 -19.525 -14.899 1.00 0.00 H new ATOM 998 N LYS A 63 2.062 -18.591 -8.712 1.00 0.00 N ATOM 999 CA LYS A 63 3.387 -18.553 -8.105 1.00 0.00 C ATOM 1000 C LYS A 63 4.274 -17.526 -8.802 1.00 0.00 C ATOM 1001 O LYS A 63 4.284 -17.432 -10.030 1.00 0.00 O ATOM 1002 CB LYS A 63 4.041 -19.934 -8.167 1.00 0.00 C ATOM 1003 CG LYS A 63 5.522 -19.923 -7.822 1.00 0.00 C ATOM 1004 CD LYS A 63 5.865 -20.994 -6.800 1.00 0.00 C ATOM 1005 CE LYS A 63 7.114 -20.631 -6.013 1.00 0.00 C ATOM 1006 NZ LYS A 63 7.184 -21.358 -4.715 1.00 0.00 N ATOM 0 H LYS A 63 1.728 -19.528 -8.936 1.00 0.00 H new ATOM 0 HA LYS A 63 3.272 -18.261 -7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.522 -20.604 -7.481 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.913 -20.343 -9.169 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.108 -20.081 -8.727 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.798 -18.944 -7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.028 -21.127 -6.115 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.017 -21.947 -7.307 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.998 -20.863 -6.607 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.127 -19.557 -5.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.050 -21.083 -4.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.354 -21.117 -4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.197 -22.383 -4.891 1.00 0.00 H new ATOM 1020 N GLU A 64 5.015 -16.758 -8.012 1.00 0.00 N ATOM 1021 CA GLU A 64 5.905 -15.737 -8.553 1.00 0.00 C ATOM 1022 C GLU A 64 5.127 -14.724 -9.387 1.00 0.00 C ATOM 1023 O GLU A 64 4.959 -14.896 -10.594 1.00 0.00 O ATOM 1024 CB GLU A 64 6.997 -16.385 -9.407 1.00 0.00 C ATOM 1025 CG GLU A 64 8.028 -15.398 -9.926 1.00 0.00 C ATOM 1026 CD GLU A 64 7.805 -15.032 -11.380 1.00 0.00 C ATOM 1027 OE1 GLU A 64 8.332 -15.746 -12.260 1.00 0.00 O ATOM 1028 OE2 GLU A 64 7.103 -14.032 -11.639 1.00 0.00 O ATOM 0 H GLU A 64 5.017 -16.823 -6.994 1.00 0.00 H new ATOM 0 HA GLU A 64 6.368 -15.213 -7.717 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.503 -17.149 -8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.532 -16.891 -10.253 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.997 -14.493 -9.319 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.024 -15.825 -9.811 1.00 0.00 H new ATOM 1035 N SER A 65 4.653 -13.668 -8.733 1.00 0.00 N ATOM 1036 CA SER A 65 3.891 -12.627 -9.415 1.00 0.00 C ATOM 1037 C SER A 65 4.465 -11.246 -9.111 1.00 0.00 C ATOM 1038 O SER A 65 5.106 -11.043 -8.080 1.00 0.00 O ATOM 1039 CB SER A 65 2.421 -12.684 -8.998 1.00 0.00 C ATOM 1040 OG SER A 65 2.024 -14.014 -8.710 1.00 0.00 O ATOM 0 H SER A 65 4.783 -13.511 -7.734 1.00 0.00 H new ATOM 0 HA SER A 65 3.963 -12.803 -10.488 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.264 -12.056 -8.121 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.798 -12.280 -9.795 1.00 0.00 H new ATOM 0 HG SER A 65 2.247 -14.593 -9.468 1.00 0.00 H new ATOM 1046 N THR A 66 4.228 -10.302 -10.015 1.00 0.00 N ATOM 1047 CA THR A 66 4.721 -8.940 -9.843 1.00 0.00 C ATOM 1048 C THR A 66 3.572 -7.977 -9.561 1.00 0.00 C ATOM 1049 O THR A 66 2.666 -7.821 -10.378 1.00 0.00 O ATOM 1050 CB THR A 66 5.483 -8.490 -11.091 1.00 0.00 C ATOM 1051 OG1 THR A 66 6.013 -9.606 -11.783 1.00 0.00 O ATOM 1052 CG2 THR A 66 6.631 -7.552 -10.785 1.00 0.00 C ATOM 0 H THR A 66 3.698 -10.454 -10.873 1.00 0.00 H new ATOM 0 HA THR A 66 5.398 -8.930 -8.989 1.00 0.00 H new ATOM 0 HB THR A 66 4.753 -7.958 -11.700 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.495 -9.299 -12.579 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.129 -7.271 -11.713 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.249 -6.657 -10.293 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.343 -8.051 -10.128 1.00 0.00 H new ATOM 1060 N ILE A 67 3.619 -7.333 -8.400 1.00 0.00 N ATOM 1061 CA ILE A 67 2.582 -6.385 -8.010 1.00 0.00 C ATOM 1062 C ILE A 67 3.171 -5.002 -7.753 1.00 0.00 C ATOM 1063 O ILE A 67 4.185 -4.866 -7.068 1.00 0.00 O ATOM 1064 CB ILE A 67 1.835 -6.854 -6.748 1.00 0.00 C ATOM 1065 CG1 ILE A 67 1.281 -8.265 -6.953 1.00 0.00 C ATOM 1066 CG2 ILE A 67 0.716 -5.883 -6.404 1.00 0.00 C ATOM 1067 CD1 ILE A 67 1.697 -9.242 -5.874 1.00 0.00 C ATOM 0 H ILE A 67 4.364 -7.450 -7.713 1.00 0.00 H new ATOM 0 HA ILE A 67 1.877 -6.330 -8.840 1.00 0.00 H new ATOM 0 HB ILE A 67 2.537 -6.878 -5.914 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.193 -8.217 -6.988 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.615 -8.641 -7.920 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.197 -6.228 -5.510 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.136 -4.894 -6.221 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.012 -5.830 -7.234 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.268 -10.221 -6.085 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.784 -9.319 -5.853 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.339 -8.890 -4.907 1.00 0.00 H new ATOM 1079 N HIS A 68 2.530 -3.979 -8.308 1.00 0.00 N ATOM 1080 CA HIS A 68 2.992 -2.606 -8.138 1.00 0.00 C ATOM 1081 C HIS A 68 2.258 -1.922 -6.989 1.00 0.00 C ATOM 1082 O HIS A 68 1.077 -1.597 -7.101 1.00 0.00 O ATOM 1083 CB HIS A 68 2.786 -1.814 -9.431 1.00 0.00 C ATOM 1084 CG HIS A 68 3.533 -2.374 -10.602 1.00 0.00 C ATOM 1085 ND1 HIS A 68 4.174 -1.585 -11.534 1.00 0.00 N ATOM 1086 CD2 HIS A 68 3.741 -3.655 -10.988 1.00 0.00 C ATOM 1087 CE1 HIS A 68 4.742 -2.356 -12.444 1.00 0.00 C ATOM 1088 NE2 HIS A 68 4.495 -3.616 -12.135 1.00 0.00 N ATOM 0 H HIS A 68 1.690 -4.074 -8.879 1.00 0.00 H new ATOM 0 HA HIS A 68 4.055 -2.634 -7.900 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.722 -1.790 -9.667 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.100 -0.783 -9.270 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.381 -4.542 -10.487 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.311 -2.014 -13.296 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.813 -4.429 -12.663 1.00 0.00 H new ATOM 1097 N LEU A 69 2.966 -1.707 -5.886 1.00 0.00 N ATOM 1098 CA LEU A 69 2.381 -1.062 -4.718 1.00 0.00 C ATOM 1099 C LEU A 69 2.645 0.439 -4.735 1.00 0.00 C ATOM 1100 O LEU A 69 3.783 0.878 -4.902 1.00 0.00 O ATOM 1101 CB LEU A 69 2.941 -1.672 -3.432 1.00 0.00 C ATOM 1102 CG LEU A 69 2.656 -0.870 -2.160 1.00 0.00 C ATOM 1103 CD1 LEU A 69 3.629 0.292 -2.032 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.220 -0.370 -2.156 1.00 0.00 C ATOM 0 H LEU A 69 3.945 -1.970 -5.777 1.00 0.00 H new ATOM 0 HA LEU A 69 1.304 -1.226 -4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.528 -2.674 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.020 -1.783 -3.540 1.00 0.00 H new ATOM 0 HG LEU A 69 2.793 -1.527 -1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.411 0.851 -1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.649 -0.091 -1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.526 0.950 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.035 0.198 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.055 0.271 -3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.539 -1.220 -2.198 1.00 0.00 H new ATOM 1116 N VAL A 70 1.586 1.222 -4.561 1.00 0.00 N ATOM 1117 CA VAL A 70 1.701 2.675 -4.555 1.00 0.00 C ATOM 1118 C VAL A 70 1.174 3.257 -3.248 1.00 0.00 C ATOM 1119 O VAL A 70 0.116 2.858 -2.760 1.00 0.00 O ATOM 1120 CB VAL A 70 0.937 3.314 -5.734 1.00 0.00 C ATOM 1121 CG1 VAL A 70 1.911 3.899 -6.745 1.00 0.00 C ATOM 1122 CG2 VAL A 70 0.015 2.300 -6.398 1.00 0.00 C ATOM 0 H VAL A 70 0.637 0.874 -4.422 1.00 0.00 H new ATOM 0 HA VAL A 70 2.761 2.907 -4.658 1.00 0.00 H new ATOM 0 HB VAL A 70 0.320 4.123 -5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.355 4.345 -7.570 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.521 4.663 -6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.556 3.108 -7.128 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.512 2.775 -7.226 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.605 1.464 -6.775 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.708 1.934 -5.669 1.00 0.00 H new ATOM 1132 N LEU A 71 1.919 4.202 -2.686 1.00 0.00 N ATOM 1133 CA LEU A 71 1.529 4.840 -1.434 1.00 0.00 C ATOM 1134 C LEU A 71 0.461 5.901 -1.673 1.00 0.00 C ATOM 1135 O LEU A 71 0.569 6.709 -2.596 1.00 0.00 O ATOM 1136 CB LEU A 71 2.749 5.470 -0.758 1.00 0.00 C ATOM 1137 CG LEU A 71 3.672 4.482 -0.043 1.00 0.00 C ATOM 1138 CD1 LEU A 71 2.943 3.812 1.111 1.00 0.00 C ATOM 1139 CD2 LEU A 71 4.200 3.443 -1.020 1.00 0.00 C ATOM 0 H LEU A 71 2.797 4.543 -3.078 1.00 0.00 H new ATOM 0 HA LEU A 71 1.113 4.074 -0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.327 6.005 -1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.404 6.210 -0.036 1.00 0.00 H new ATOM 0 HG LEU A 71 4.521 5.033 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.615 3.112 1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.616 4.569 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.075 3.273 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.855 2.748 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.364 2.895 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.760 3.940 -1.812 1.00 0.00 H new ATOM 1151 N ARG A 72 -0.570 5.894 -0.835 1.00 0.00 N ATOM 1152 CA ARG A 72 -1.660 6.855 -0.953 1.00 0.00 C ATOM 1153 C ARG A 72 -1.162 8.274 -0.700 1.00 0.00 C ATOM 1154 O ARG A 72 -1.550 8.913 0.278 1.00 0.00 O ATOM 1155 CB ARG A 72 -2.779 6.511 0.030 1.00 0.00 C ATOM 1156 CG ARG A 72 -4.132 7.082 -0.364 1.00 0.00 C ATOM 1157 CD ARG A 72 -4.817 7.754 0.815 1.00 0.00 C ATOM 1158 NE ARG A 72 -6.118 8.304 0.450 1.00 0.00 N ATOM 1159 CZ ARG A 72 -7.187 7.557 0.194 1.00 0.00 C ATOM 1160 NH1 ARG A 72 -7.107 6.236 0.263 1.00 0.00 N ATOM 1161 NH2 ARG A 72 -8.338 8.131 -0.131 1.00 0.00 N ATOM 0 H ARG A 72 -0.674 5.232 -0.066 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.051 6.802 -1.969 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.861 5.427 0.110 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.510 6.884 1.018 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.003 7.803 -1.171 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.767 6.284 -0.749 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.942 7.032 1.622 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.180 8.552 1.198 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.212 9.318 0.388 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.224 5.791 0.513 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.929 5.664 0.066 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.404 9.147 -0.185 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.157 7.556 -0.327 1.00 0.00 H new ATOM 1175 N LEU A 73 -0.301 8.762 -1.587 1.00 0.00 N ATOM 1176 CA LEU A 73 0.249 10.106 -1.460 1.00 0.00 C ATOM 1177 C LEU A 73 1.179 10.200 -0.255 1.00 0.00 C ATOM 1178 O LEU A 73 0.743 10.496 0.857 1.00 0.00 O ATOM 1179 CB LEU A 73 -0.880 11.130 -1.328 1.00 0.00 C ATOM 1180 CG LEU A 73 -1.954 11.052 -2.415 1.00 0.00 C ATOM 1181 CD1 LEU A 73 -3.273 11.608 -1.900 1.00 0.00 C ATOM 1182 CD2 LEU A 73 -1.507 11.802 -3.660 1.00 0.00 C ATOM 0 H LEU A 73 0.031 8.246 -2.402 1.00 0.00 H new ATOM 0 HA LEU A 73 0.825 10.324 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.357 10.999 -0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.446 12.130 -1.338 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.102 10.005 -2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.026 11.545 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.600 11.028 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.140 12.650 -1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.283 11.736 -4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.331 12.848 -3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.586 11.360 -4.040 1.00 0.00 H new ATOM 1194 N ARG A 74 2.464 9.945 -0.485 1.00 0.00 N ATOM 1195 CA ARG A 74 3.457 10.000 0.582 1.00 0.00 C ATOM 1196 C ARG A 74 3.164 11.153 1.538 1.00 0.00 C ATOM 1197 O ARG A 74 2.928 12.283 1.111 1.00 0.00 O ATOM 1198 CB ARG A 74 4.859 10.155 -0.008 1.00 0.00 C ATOM 1199 CG ARG A 74 5.941 10.365 1.038 1.00 0.00 C ATOM 1200 CD ARG A 74 6.425 11.805 1.057 1.00 0.00 C ATOM 1201 NE ARG A 74 6.595 12.342 -0.289 1.00 0.00 N ATOM 1202 CZ ARG A 74 7.681 12.146 -1.029 1.00 0.00 C ATOM 1203 NH1 ARG A 74 8.688 11.427 -0.554 1.00 0.00 N ATOM 1204 NH2 ARG A 74 7.760 12.669 -2.246 1.00 0.00 N ATOM 0 H ARG A 74 2.841 9.699 -1.400 1.00 0.00 H new ATOM 0 HA ARG A 74 3.407 9.066 1.142 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.098 9.266 -0.592 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.863 11.000 -0.697 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.555 10.097 2.021 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.780 9.701 0.833 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.712 12.420 1.605 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.373 11.862 1.593 1.00 0.00 H new ATOM 0 HE ARG A 74 5.838 12.899 -0.684 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.630 11.023 0.381 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.521 11.277 -1.123 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.986 13.222 -2.615 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.594 12.518 -2.813 1.00 0.00 H new ATOM 1218 N GLY A 75 3.183 10.859 2.835 1.00 0.00 N ATOM 1219 CA GLY A 75 2.919 11.882 3.830 1.00 0.00 C ATOM 1220 C GLY A 75 1.945 11.417 4.895 1.00 0.00 C ATOM 1221 O GLY A 75 1.037 10.633 4.616 1.00 0.00 O ATOM 0 H GLY A 75 3.376 9.932 3.214 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.856 12.176 4.302 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.519 12.768 3.338 1.00 0.00 H new ATOM 1225 N GLY A 76 2.133 11.902 6.118 1.00 0.00 N ATOM 1226 CA GLY A 76 1.256 11.521 7.209 1.00 0.00 C ATOM 1227 C GLY A 76 1.547 12.289 8.484 1.00 0.00 C ATOM 1228 O GLY A 76 1.928 13.475 8.388 1.00 0.00 O ATOM 1229 OXT GLY A 76 1.392 11.706 9.577 1.00 0.00 O ATOM 0 H GLY A 76 2.877 12.552 6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.220 11.691 6.915 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.362 10.453 7.400 1.00 0.00 H new TER 1233 GLY A 76