USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 534 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 43 THR OG1 : rot 129:sc= 1.67 USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -151:sc= -0.172 (180deg=-1) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.081 (180deg=-0.0106) USER MOD Single : A 3 GLN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 6 THR OG1 : rot 142:sc= 1.1 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 130:sc= -0.882 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -1.15 K(o=-1.1,f=-0.29) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -39:sc= -0.0385 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0224 K(o=-0.022,f=-2.4!) USER MOD Single : A 27 GLN : amide:sc= -0.358 K(o=-0.36,f=-2.3!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.739 X(o=-0.74,f=-0.94) USER MOD Single : A 39 LYS NZ :NH3+ -130:sc=-0.00858 (180deg=-0.472) USER MOD Single : A 45 ASN : amide:sc= -0.192 X(o=-0.19,f=-0.58) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0519 K(o=-0.052,f=-1.7!) USER MOD Single : A 62 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.233) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.005 14.862 3.721 1.00 0.00 N ATOM 2 CA MET A 1 2.331 14.372 2.356 1.00 0.00 C ATOM 3 C MET A 1 2.906 12.961 2.399 1.00 0.00 C ATOM 4 O MET A 1 3.298 12.470 3.458 1.00 0.00 O ATOM 5 CB MET A 1 3.339 15.333 1.721 1.00 0.00 C ATOM 6 CG MET A 1 2.716 16.626 1.223 1.00 0.00 C ATOM 7 SD MET A 1 2.332 16.578 -0.538 1.00 0.00 S ATOM 8 CE MET A 1 3.973 16.417 -1.238 1.00 0.00 C ATOM 0 H1 MET A 1 0.974 14.950 3.821 1.00 0.00 H new ATOM 0 H2 MET A 1 2.365 14.188 4.427 1.00 0.00 H new ATOM 0 H3 MET A 1 2.448 15.791 3.871 1.00 0.00 H new ATOM 0 HA MET A 1 1.418 14.336 1.762 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.112 15.570 2.452 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.831 14.832 0.887 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.803 16.825 1.785 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.398 17.453 1.420 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.992 16.872 -2.228 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.694 16.920 -0.594 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.232 15.361 -1.318 1.00 0.00 H new ATOM 20 N GLU A 2 2.956 12.312 1.240 1.00 0.00 N ATOM 21 CA GLU A 2 3.484 10.956 1.143 1.00 0.00 C ATOM 22 C GLU A 2 2.650 9.983 1.972 1.00 0.00 C ATOM 23 O GLU A 2 3.130 9.416 2.954 1.00 0.00 O ATOM 24 CB GLU A 2 4.942 10.920 1.605 1.00 0.00 C ATOM 25 CG GLU A 2 5.716 9.721 1.080 1.00 0.00 C ATOM 26 CD GLU A 2 6.841 9.301 2.007 1.00 0.00 C ATOM 27 OE1 GLU A 2 7.806 10.079 2.159 1.00 0.00 O ATOM 28 OE2 GLU A 2 6.754 8.196 2.580 1.00 0.00 O ATOM 0 H GLU A 2 2.637 12.704 0.354 1.00 0.00 H new ATOM 0 HA GLU A 2 3.433 10.648 0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.440 11.834 1.281 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.969 10.911 2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.032 8.884 0.942 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.128 9.960 0.100 1.00 0.00 H new ATOM 35 N GLN A 3 1.400 9.792 1.566 1.00 0.00 N ATOM 36 CA GLN A 3 0.498 8.884 2.267 1.00 0.00 C ATOM 37 C GLN A 3 0.487 7.513 1.597 1.00 0.00 C ATOM 38 O GLN A 3 -0.571 6.917 1.393 1.00 0.00 O ATOM 39 CB GLN A 3 -0.917 9.465 2.303 1.00 0.00 C ATOM 40 CG GLN A 3 -1.583 9.361 3.663 1.00 0.00 C ATOM 41 CD GLN A 3 -1.431 10.626 4.486 1.00 0.00 C ATOM 42 OE1 GLN A 3 -2.416 11.201 4.950 1.00 0.00 O ATOM 43 NE2 GLN A 3 -0.192 11.067 4.671 1.00 0.00 N ATOM 0 H GLN A 3 0.988 10.253 0.755 1.00 0.00 H new ATOM 0 HA GLN A 3 0.856 8.766 3.290 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.878 10.513 2.006 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.532 8.948 1.566 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.643 9.145 3.529 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.153 8.522 4.210 1.00 0.00 H new ATOM 0 HE21 GLN A 3 0.596 10.559 4.268 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.028 11.914 5.216 1.00 0.00 H new ATOM 52 N ARG A 4 1.674 7.024 1.255 1.00 0.00 N ATOM 53 CA ARG A 4 1.810 5.726 0.603 1.00 0.00 C ATOM 54 C ARG A 4 2.591 4.752 1.479 1.00 0.00 C ATOM 55 O ARG A 4 3.809 4.624 1.349 1.00 0.00 O ATOM 56 CB ARG A 4 2.503 5.887 -0.751 1.00 0.00 C ATOM 57 CG ARG A 4 3.759 6.739 -0.696 1.00 0.00 C ATOM 58 CD ARG A 4 4.591 6.586 -1.960 1.00 0.00 C ATOM 59 NE ARG A 4 3.888 7.087 -3.139 1.00 0.00 N ATOM 60 CZ ARG A 4 4.422 7.129 -4.357 1.00 0.00 C ATOM 61 NH1 ARG A 4 5.664 6.705 -4.560 1.00 0.00 N ATOM 62 NH2 ARG A 4 3.713 7.599 -5.375 1.00 0.00 N ATOM 0 H ARG A 4 2.557 7.507 1.419 1.00 0.00 H new ATOM 0 HA ARG A 4 0.811 5.318 0.447 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.760 4.901 -1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.803 6.333 -1.457 1.00 0.00 H new ATOM 0 HG2 ARG A 4 3.485 7.786 -0.564 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.356 6.454 0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.532 7.124 -1.843 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.840 5.535 -2.105 1.00 0.00 H new ATOM 0 HE ARG A 4 2.933 7.424 -3.021 1.00 0.00 H new ATOM 0 HH11 ARG A 4 6.214 6.345 -3.780 1.00 0.00 H new ATOM 0 HH12 ARG A 4 6.068 6.740 -5.496 1.00 0.00 H new ATOM 0 HH21 ARG A 4 2.759 7.928 -5.224 1.00 0.00 H new ATOM 0 HH22 ARG A 4 4.122 7.632 -6.309 1.00 0.00 H new ATOM 76 N ILE A 5 1.882 4.070 2.373 1.00 0.00 N ATOM 77 CA ILE A 5 2.506 3.111 3.273 1.00 0.00 C ATOM 78 C ILE A 5 2.762 1.793 2.563 1.00 0.00 C ATOM 79 O ILE A 5 2.306 1.578 1.442 1.00 0.00 O ATOM 80 CB ILE A 5 1.626 2.841 4.510 1.00 0.00 C ATOM 81 CG1 ILE A 5 0.899 4.114 4.930 1.00 0.00 C ATOM 82 CG2 ILE A 5 2.467 2.304 5.660 1.00 0.00 C ATOM 83 CD1 ILE A 5 -0.607 3.978 4.946 1.00 0.00 C ATOM 0 H ILE A 5 0.873 4.165 2.492 1.00 0.00 H new ATOM 0 HA ILE A 5 3.451 3.548 3.595 1.00 0.00 H new ATOM 0 HB ILE A 5 0.884 2.087 4.248 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.239 4.405 5.924 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.175 4.920 4.250 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.828 2.120 6.523 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.945 1.372 5.357 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.231 3.035 5.924 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.054 4.923 5.254 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.959 3.718 3.948 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.894 3.195 5.648 1.00 0.00 H new ATOM 95 N THR A 6 3.497 0.917 3.228 1.00 0.00 N ATOM 96 CA THR A 6 3.826 -0.389 2.668 1.00 0.00 C ATOM 97 C THR A 6 2.602 -1.296 2.636 1.00 0.00 C ATOM 98 O THR A 6 1.672 -1.133 3.426 1.00 0.00 O ATOM 99 CB THR A 6 4.944 -1.047 3.479 1.00 0.00 C ATOM 100 OG1 THR A 6 4.964 -0.545 4.804 1.00 0.00 O ATOM 101 CG2 THR A 6 6.320 -0.832 2.886 1.00 0.00 C ATOM 0 H THR A 6 3.879 1.085 4.159 1.00 0.00 H new ATOM 0 HA THR A 6 4.168 -0.240 1.644 1.00 0.00 H new ATOM 0 HB THR A 6 4.722 -2.114 3.464 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.168 -1.274 5.427 1.00 0.00 H new ATOM 0 HG21 THR A 6 7.066 -1.324 3.510 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.353 -1.253 1.881 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.533 0.236 2.840 1.00 0.00 H new ATOM 109 N LEU A 7 2.608 -2.257 1.716 1.00 0.00 N ATOM 110 CA LEU A 7 1.501 -3.195 1.578 1.00 0.00 C ATOM 111 C LEU A 7 1.412 -4.111 2.796 1.00 0.00 C ATOM 112 O LEU A 7 0.329 -4.348 3.328 1.00 0.00 O ATOM 113 CB LEU A 7 1.666 -4.030 0.307 1.00 0.00 C ATOM 114 CG LEU A 7 0.605 -5.114 0.100 1.00 0.00 C ATOM 115 CD1 LEU A 7 -0.685 -4.504 -0.423 1.00 0.00 C ATOM 116 CD2 LEU A 7 1.117 -6.183 -0.853 1.00 0.00 C ATOM 0 H LEU A 7 3.370 -2.406 1.054 1.00 0.00 H new ATOM 0 HA LEU A 7 0.577 -2.621 1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.652 -3.361 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.648 -4.503 0.327 1.00 0.00 H new ATOM 0 HG LEU A 7 0.397 -5.582 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.428 -5.289 -0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.060 -3.775 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.494 -4.010 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.351 -6.946 -0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.353 -5.729 -1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.015 -6.641 -0.438 1.00 0.00 H new ATOM 128 N LYS A 8 2.561 -4.621 3.233 1.00 0.00 N ATOM 129 CA LYS A 8 2.613 -5.508 4.388 1.00 0.00 C ATOM 130 C LYS A 8 1.999 -4.840 5.612 1.00 0.00 C ATOM 131 O LYS A 8 1.316 -5.483 6.410 1.00 0.00 O ATOM 132 CB LYS A 8 4.060 -5.910 4.684 1.00 0.00 C ATOM 133 CG LYS A 8 4.209 -7.348 5.150 1.00 0.00 C ATOM 134 CD LYS A 8 5.445 -7.528 6.017 1.00 0.00 C ATOM 135 CE LYS A 8 6.702 -7.681 5.173 1.00 0.00 C ATOM 136 NZ LYS A 8 7.843 -6.905 5.730 1.00 0.00 N ATOM 0 H LYS A 8 3.467 -4.434 2.804 1.00 0.00 H new ATOM 0 HA LYS A 8 2.035 -6.403 4.155 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.660 -5.764 3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.464 -5.246 5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.323 -7.643 5.712 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.271 -8.007 4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.553 -6.670 6.680 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.322 -8.407 6.650 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.974 -8.735 5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.499 -7.348 4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.680 -7.036 5.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.594 -5.896 5.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.054 -7.240 6.692 1.00 0.00 H new ATOM 150 N ASP A 9 2.243 -3.541 5.752 1.00 0.00 N ATOM 151 CA ASP A 9 1.712 -2.777 6.872 1.00 0.00 C ATOM 152 C ASP A 9 0.213 -2.553 6.710 1.00 0.00 C ATOM 153 O ASP A 9 -0.535 -2.537 7.688 1.00 0.00 O ATOM 154 CB ASP A 9 2.427 -1.429 6.981 1.00 0.00 C ATOM 155 CG ASP A 9 3.869 -1.574 7.423 1.00 0.00 C ATOM 156 OD1 ASP A 9 4.646 -2.240 6.709 1.00 0.00 O ATOM 157 OD2 ASP A 9 4.223 -1.020 8.487 1.00 0.00 O ATOM 0 H ASP A 9 2.807 -2.995 5.101 1.00 0.00 H new ATOM 0 HA ASP A 9 1.884 -3.348 7.784 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.395 -0.925 6.015 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.895 -0.795 7.690 1.00 0.00 H new ATOM 162 N TYR A 10 -0.216 -2.379 5.466 1.00 0.00 N ATOM 163 CA TYR A 10 -1.623 -2.150 5.161 1.00 0.00 C ATOM 164 C TYR A 10 -2.492 -3.299 5.661 1.00 0.00 C ATOM 165 O TYR A 10 -3.483 -3.080 6.357 1.00 0.00 O ATOM 166 CB TYR A 10 -1.810 -1.977 3.654 1.00 0.00 C ATOM 167 CG TYR A 10 -3.000 -1.122 3.282 1.00 0.00 C ATOM 168 CD1 TYR A 10 -4.296 -1.555 3.527 1.00 0.00 C ATOM 169 CD2 TYR A 10 -2.823 0.117 2.682 1.00 0.00 C ATOM 170 CE1 TYR A 10 -5.384 -0.777 3.182 1.00 0.00 C ATOM 171 CE2 TYR A 10 -3.905 0.903 2.336 1.00 0.00 C ATOM 172 CZ TYR A 10 -5.184 0.451 2.587 1.00 0.00 C ATOM 173 OH TYR A 10 -6.265 1.229 2.243 1.00 0.00 O ATOM 0 H TYR A 10 0.394 -2.392 4.648 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.935 -1.240 5.673 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.908 -1.531 3.234 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.923 -2.960 3.196 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.456 -2.515 3.995 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.823 0.472 2.482 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.386 -1.129 3.377 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.751 1.866 1.872 1.00 0.00 H new ATOM 0 HH TYR A 10 -6.138 2.137 2.590 1.00 0.00 H new ATOM 183 N ALA A 11 -2.123 -4.520 5.294 1.00 0.00 N ATOM 184 CA ALA A 11 -2.875 -5.700 5.700 1.00 0.00 C ATOM 185 C ALA A 11 -2.990 -5.795 7.218 1.00 0.00 C ATOM 186 O ALA A 11 -4.089 -5.878 7.762 1.00 0.00 O ATOM 187 CB ALA A 11 -2.223 -6.956 5.141 1.00 0.00 C ATOM 0 H ALA A 11 -1.307 -4.719 4.715 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.883 -5.610 5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.794 -7.831 5.451 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.204 -6.902 4.052 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.204 -7.035 5.518 1.00 0.00 H new ATOM 193 N MET A 12 -1.850 -5.793 7.896 1.00 0.00 N ATOM 194 CA MET A 12 -1.824 -5.888 9.350 1.00 0.00 C ATOM 195 C MET A 12 -2.445 -4.656 10.005 1.00 0.00 C ATOM 196 O MET A 12 -2.896 -4.710 11.148 1.00 0.00 O ATOM 197 CB MET A 12 -0.387 -6.071 9.841 1.00 0.00 C ATOM 198 CG MET A 12 -0.118 -7.444 10.438 1.00 0.00 C ATOM 199 SD MET A 12 1.577 -7.628 11.023 1.00 0.00 S ATOM 200 CE MET A 12 2.287 -8.609 9.704 1.00 0.00 C ATOM 0 H MET A 12 -0.929 -5.727 7.462 1.00 0.00 H new ATOM 0 HA MET A 12 -2.418 -6.756 9.636 1.00 0.00 H new ATOM 0 HB2 MET A 12 0.297 -5.906 9.008 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.168 -5.309 10.589 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.805 -7.616 11.267 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.324 -8.208 9.689 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.337 -8.806 9.922 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.749 -9.554 9.623 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.208 -8.065 8.763 1.00 0.00 H new ATOM 210 N ARG A 13 -2.456 -3.546 9.278 1.00 0.00 N ATOM 211 CA ARG A 13 -3.011 -2.300 9.795 1.00 0.00 C ATOM 212 C ARG A 13 -4.499 -2.168 9.476 1.00 0.00 C ATOM 213 O ARG A 13 -5.345 -2.273 10.363 1.00 0.00 O ATOM 214 CB ARG A 13 -2.249 -1.102 9.226 1.00 0.00 C ATOM 215 CG ARG A 13 -2.657 0.226 9.842 1.00 0.00 C ATOM 216 CD ARG A 13 -1.710 0.636 10.958 1.00 0.00 C ATOM 217 NE ARG A 13 -2.423 1.174 12.113 1.00 0.00 N ATOM 218 CZ ARG A 13 -1.823 1.739 13.157 1.00 0.00 C ATOM 219 NH1 ARG A 13 -0.500 1.842 13.196 1.00 0.00 N ATOM 220 NH2 ARG A 13 -2.547 2.204 14.167 1.00 0.00 N ATOM 0 H ARG A 13 -2.087 -3.482 8.329 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.900 -2.318 10.879 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.181 -1.253 9.383 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.410 -1.058 8.149 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.669 0.997 9.072 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.671 0.150 10.233 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.119 -0.226 11.267 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.011 1.384 10.583 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.441 1.113 12.120 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.062 1.487 12.423 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.046 2.276 13.999 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.564 2.128 14.143 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.087 2.637 14.968 1.00 0.00 H new ATOM 234 N PHE A 14 -4.808 -1.915 8.209 1.00 0.00 N ATOM 235 CA PHE A 14 -6.177 -1.744 7.769 1.00 0.00 C ATOM 236 C PHE A 14 -6.885 -3.084 7.580 1.00 0.00 C ATOM 237 O PHE A 14 -8.052 -3.234 7.943 1.00 0.00 O ATOM 238 CB PHE A 14 -6.174 -0.959 6.466 1.00 0.00 C ATOM 239 CG PHE A 14 -5.516 0.384 6.592 1.00 0.00 C ATOM 240 CD1 PHE A 14 -6.230 1.479 7.044 1.00 0.00 C ATOM 241 CD2 PHE A 14 -4.182 0.554 6.268 1.00 0.00 C ATOM 242 CE1 PHE A 14 -5.631 2.706 7.167 1.00 0.00 C ATOM 243 CE2 PHE A 14 -3.578 1.780 6.389 1.00 0.00 C ATOM 244 CZ PHE A 14 -4.306 2.854 6.838 1.00 0.00 C ATOM 0 H PHE A 14 -4.116 -1.824 7.465 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.726 -1.200 8.537 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.659 -1.539 5.700 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.201 -0.824 6.127 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.272 1.366 7.303 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.608 -0.290 5.915 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.199 3.553 7.521 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.536 1.900 6.132 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.834 3.821 6.933 1.00 0.00 H new ATOM 254 N GLY A 15 -6.177 -4.053 7.010 1.00 0.00 N ATOM 255 CA GLY A 15 -6.767 -5.361 6.785 1.00 0.00 C ATOM 256 C GLY A 15 -6.755 -5.760 5.322 1.00 0.00 C ATOM 257 O GLY A 15 -6.933 -4.919 4.442 1.00 0.00 O ATOM 0 H GLY A 15 -5.210 -3.958 6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.223 -6.106 7.366 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.794 -5.360 7.150 1.00 0.00 H new ATOM 261 N GLN A 16 -6.546 -7.046 5.063 1.00 0.00 N ATOM 262 CA GLN A 16 -6.510 -7.556 3.696 1.00 0.00 C ATOM 263 C GLN A 16 -7.842 -7.315 2.990 1.00 0.00 C ATOM 264 O GLN A 16 -7.885 -7.117 1.776 1.00 0.00 O ATOM 265 CB GLN A 16 -6.182 -9.052 3.696 1.00 0.00 C ATOM 266 CG GLN A 16 -4.706 -9.350 3.491 1.00 0.00 C ATOM 267 CD GLN A 16 -4.190 -10.420 4.433 1.00 0.00 C ATOM 268 OE1 GLN A 16 -4.889 -11.387 4.735 1.00 0.00 O ATOM 269 NE2 GLN A 16 -2.961 -10.251 4.905 1.00 0.00 N ATOM 0 H GLN A 16 -6.399 -7.755 5.781 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.730 -7.020 3.155 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.504 -9.486 4.643 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.756 -9.542 2.909 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.543 -9.669 2.461 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.131 -8.435 3.636 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.416 -9.434 4.628 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.561 -10.938 5.544 1.00 0.00 H new ATOM 278 N THR A 17 -8.926 -7.333 3.758 1.00 0.00 N ATOM 279 CA THR A 17 -10.250 -7.118 3.205 1.00 0.00 C ATOM 280 C THR A 17 -10.400 -5.695 2.677 1.00 0.00 C ATOM 281 O THR A 17 -10.750 -5.487 1.514 1.00 0.00 O ATOM 282 CB THR A 17 -11.320 -7.394 4.267 1.00 0.00 C ATOM 283 OG1 THR A 17 -11.170 -8.695 4.804 1.00 0.00 O ATOM 284 CG2 THR A 17 -12.730 -7.278 3.741 1.00 0.00 C ATOM 0 H THR A 17 -8.910 -7.495 4.765 1.00 0.00 H new ATOM 0 HA THR A 17 -10.383 -7.809 2.373 1.00 0.00 H new ATOM 0 HB THR A 17 -11.170 -6.630 5.030 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.861 -8.851 5.481 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.436 -7.486 4.545 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.896 -6.269 3.364 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.877 -7.996 2.934 1.00 0.00 H new ATOM 292 N LYS A 18 -10.140 -4.718 3.540 1.00 0.00 N ATOM 293 CA LYS A 18 -10.250 -3.314 3.163 1.00 0.00 C ATOM 294 C LYS A 18 -9.318 -2.982 2.006 1.00 0.00 C ATOM 295 O LYS A 18 -9.674 -2.228 1.103 1.00 0.00 O ATOM 296 CB LYS A 18 -9.944 -2.415 4.360 1.00 0.00 C ATOM 297 CG LYS A 18 -10.650 -1.074 4.319 1.00 0.00 C ATOM 298 CD LYS A 18 -9.811 0.029 4.931 1.00 0.00 C ATOM 299 CE LYS A 18 -10.640 0.957 5.801 1.00 0.00 C ATOM 300 NZ LYS A 18 -11.070 2.175 5.062 1.00 0.00 N ATOM 0 H LYS A 18 -9.851 -4.873 4.506 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.275 -3.133 2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.228 -2.936 5.275 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.868 -2.247 4.410 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.885 -0.820 3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.598 -1.147 4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.013 -0.412 5.528 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.335 0.605 4.138 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.519 0.424 6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.059 1.249 6.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.633 2.782 5.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.232 2.697 4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.646 1.898 4.241 1.00 0.00 H new ATOM 314 N THR A 19 -8.117 -3.551 2.042 1.00 0.00 N ATOM 315 CA THR A 19 -7.127 -3.314 0.997 1.00 0.00 C ATOM 316 C THR A 19 -7.663 -3.730 -0.370 1.00 0.00 C ATOM 317 O THR A 19 -7.627 -2.953 -1.325 1.00 0.00 O ATOM 318 CB THR A 19 -5.838 -4.077 1.303 1.00 0.00 C ATOM 319 OG1 THR A 19 -5.495 -3.953 2.670 1.00 0.00 O ATOM 320 CG2 THR A 19 -4.653 -3.603 0.488 1.00 0.00 C ATOM 0 H THR A 19 -7.806 -4.179 2.783 1.00 0.00 H new ATOM 0 HA THR A 19 -6.913 -2.245 0.973 1.00 0.00 H new ATOM 0 HB THR A 19 -6.048 -5.114 1.040 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.686 -3.041 2.974 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.772 -4.186 0.755 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.866 -3.732 -0.573 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.467 -2.549 0.695 1.00 0.00 H new ATOM 328 N ALA A 20 -8.156 -4.961 -0.456 1.00 0.00 N ATOM 329 CA ALA A 20 -8.696 -5.484 -1.705 1.00 0.00 C ATOM 330 C ALA A 20 -9.978 -4.760 -2.103 1.00 0.00 C ATOM 331 O ALA A 20 -10.300 -4.667 -3.286 1.00 0.00 O ATOM 332 CB ALA A 20 -8.949 -6.977 -1.581 1.00 0.00 C ATOM 0 H ALA A 20 -8.193 -5.615 0.325 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.959 -5.311 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.352 -7.357 -2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.013 -7.487 -1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.664 -7.159 -0.779 1.00 0.00 H new ATOM 338 N LYS A 21 -10.700 -4.253 -1.110 1.00 0.00 N ATOM 339 CA LYS A 21 -11.950 -3.544 -1.363 1.00 0.00 C ATOM 340 C LYS A 21 -11.690 -2.099 -1.777 1.00 0.00 C ATOM 341 O LYS A 21 -12.370 -1.564 -2.656 1.00 0.00 O ATOM 342 CB LYS A 21 -12.840 -3.576 -0.119 1.00 0.00 C ATOM 343 CG LYS A 21 -14.310 -3.750 -0.431 1.00 0.00 C ATOM 344 CD LYS A 21 -14.740 -5.205 -0.312 1.00 0.00 C ATOM 345 CE LYS A 21 -15.680 -5.606 -1.439 1.00 0.00 C ATOM 346 NZ LYS A 21 -16.030 -7.052 -1.383 1.00 0.00 N ATOM 0 H LYS A 21 -10.443 -4.319 -0.125 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.461 -4.049 -2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.516 -4.390 0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.703 -2.650 0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.902 -3.138 0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.513 -3.391 -1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.860 -5.847 -0.326 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.234 -5.362 0.647 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.591 -5.010 -1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.213 -5.383 -2.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.672 -7.284 -2.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.164 -7.622 -1.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.499 -7.261 -0.479 1.00 0.00 H new ATOM 360 N ASP A 22 -10.710 -1.470 -1.138 1.00 0.00 N ATOM 361 CA ASP A 22 -10.370 -0.086 -1.439 1.00 0.00 C ATOM 362 C ASP A 22 -9.760 0.038 -2.832 1.00 0.00 C ATOM 363 O ASP A 22 -10.040 0.986 -3.563 1.00 0.00 O ATOM 364 CB ASP A 22 -9.393 0.453 -0.392 1.00 0.00 C ATOM 365 CG ASP A 22 -10.080 1.304 0.657 1.00 0.00 C ATOM 366 OD1 ASP A 22 -10.790 2.259 0.274 1.00 0.00 O ATOM 367 OD2 ASP A 22 -9.916 1.015 1.861 1.00 0.00 O ATOM 0 H ASP A 22 -10.138 -1.897 -0.409 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.287 0.503 -1.414 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.889 -0.382 0.095 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.623 1.044 -0.888 1.00 0.00 H new ATOM 372 N LEU A 23 -8.918 -0.924 -3.192 1.00 0.00 N ATOM 373 CA LEU A 23 -8.268 -0.920 -4.498 1.00 0.00 C ATOM 374 C LEU A 23 -9.210 -1.442 -5.578 1.00 0.00 C ATOM 375 O LEU A 23 -9.301 -0.872 -6.665 1.00 0.00 O ATOM 376 CB LEU A 23 -6.995 -1.766 -4.457 1.00 0.00 C ATOM 377 CG LEU A 23 -5.706 -1.007 -4.783 1.00 0.00 C ATOM 378 CD1 LEU A 23 -4.642 -1.281 -3.730 1.00 0.00 C ATOM 379 CD2 LEU A 23 -5.197 -1.384 -6.168 1.00 0.00 C ATOM 0 H LEU A 23 -8.669 -1.716 -2.599 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.004 0.109 -4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.900 -2.205 -3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.102 -2.591 -5.161 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.927 0.060 -4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.734 -0.733 -3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.004 -0.958 -2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.425 -2.349 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.280 -0.834 -6.381 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.994 -2.454 -6.202 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.952 -1.134 -6.914 1.00 0.00 H new ATOM 391 N GLY A 24 -9.908 -2.530 -5.271 1.00 0.00 N ATOM 392 CA GLY A 24 -10.830 -3.112 -6.225 1.00 0.00 C ATOM 393 C GLY A 24 -10.330 -4.430 -6.787 1.00 0.00 C ATOM 394 O GLY A 24 -10.670 -4.803 -7.910 1.00 0.00 O ATOM 0 H GLY A 24 -9.851 -3.019 -4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.795 -3.269 -5.743 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.992 -2.410 -7.043 1.00 0.00 H new ATOM 398 N VAL A 25 -9.521 -5.133 -6.003 1.00 0.00 N ATOM 399 CA VAL A 25 -8.971 -6.415 -6.426 1.00 0.00 C ATOM 400 C VAL A 25 -9.416 -7.536 -5.492 1.00 0.00 C ATOM 401 O VAL A 25 -10.160 -7.305 -4.543 1.00 0.00 O ATOM 402 CB VAL A 25 -7.430 -6.377 -6.467 1.00 0.00 C ATOM 403 CG1 VAL A 25 -6.949 -5.564 -7.658 1.00 0.00 C ATOM 404 CG2 VAL A 25 -6.875 -5.814 -5.168 1.00 0.00 C ATOM 0 H VAL A 25 -9.231 -4.837 -5.071 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.350 -6.609 -7.430 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.062 -7.397 -6.580 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.859 -5.548 -7.671 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.316 -6.016 -8.579 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.326 -4.544 -7.579 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.786 -5.795 -5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.250 -4.801 -5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.191 -6.442 -4.335 1.00 0.00 H new ATOM 414 N GLN A 26 -8.946 -8.748 -5.765 1.00 0.00 N ATOM 415 CA GLN A 26 -9.293 -9.902 -4.948 1.00 0.00 C ATOM 416 C GLN A 26 -8.270 -10.101 -3.837 1.00 0.00 C ATOM 417 O GLN A 26 -7.077 -9.860 -4.024 1.00 0.00 O ATOM 418 CB GLN A 26 -9.377 -11.162 -5.812 1.00 0.00 C ATOM 419 CG GLN A 26 -10.420 -11.075 -6.913 1.00 0.00 C ATOM 420 CD GLN A 26 -9.807 -10.908 -8.289 1.00 0.00 C ATOM 421 OE1 GLN A 26 -8.754 -10.290 -8.440 1.00 0.00 O ATOM 422 NE2 GLN A 26 -10.460 -11.461 -9.303 1.00 0.00 N ATOM 0 H GLN A 26 -8.324 -8.956 -6.546 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.268 -9.718 -4.496 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.402 -11.351 -6.261 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.605 -12.016 -5.174 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.032 -11.977 -6.900 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.085 -10.235 -6.712 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.331 -11.965 -9.135 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.091 -11.382 -10.251 1.00 0.00 H new ATOM 431 N GLN A 27 -8.747 -10.542 -2.681 1.00 0.00 N ATOM 432 CA GLN A 27 -7.880 -10.775 -1.530 1.00 0.00 C ATOM 433 C GLN A 27 -6.749 -11.740 -1.877 1.00 0.00 C ATOM 434 O GLN A 27 -5.702 -11.741 -1.229 1.00 0.00 O ATOM 435 CB GLN A 27 -8.693 -11.324 -0.356 1.00 0.00 C ATOM 436 CG GLN A 27 -9.819 -10.403 0.087 1.00 0.00 C ATOM 437 CD GLN A 27 -11.150 -11.119 0.193 1.00 0.00 C ATOM 438 OE1 GLN A 27 -11.350 -12.168 -0.417 1.00 0.00 O ATOM 439 NE2 GLN A 27 -12.060 -10.552 0.971 1.00 0.00 N ATOM 0 H GLN A 27 -9.732 -10.747 -2.513 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.438 -9.820 -1.245 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.114 -12.290 -0.636 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.025 -11.500 0.487 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.567 -9.967 1.054 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.909 -9.579 -0.621 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.845 -9.681 1.456 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.976 -10.987 1.085 1.00 0.00 H new ATOM 448 N SER A 28 -6.968 -12.556 -2.899 1.00 0.00 N ATOM 449 CA SER A 28 -5.967 -13.523 -3.333 1.00 0.00 C ATOM 450 C SER A 28 -4.700 -12.819 -3.807 1.00 0.00 C ATOM 451 O SER A 28 -3.589 -13.252 -3.506 1.00 0.00 O ATOM 452 CB SER A 28 -6.528 -14.401 -4.455 1.00 0.00 C ATOM 453 OG SER A 28 -6.079 -15.739 -4.328 1.00 0.00 O ATOM 0 H SER A 28 -7.830 -12.568 -3.444 1.00 0.00 H new ATOM 0 HA SER A 28 -5.713 -14.153 -2.481 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.617 -14.376 -4.431 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.221 -14.001 -5.422 1.00 0.00 H new ATOM 0 HG SER A 28 -6.452 -16.280 -5.055 1.00 0.00 H new ATOM 459 N ALA A 29 -4.877 -11.731 -4.551 1.00 0.00 N ATOM 460 CA ALA A 29 -3.748 -10.966 -5.068 1.00 0.00 C ATOM 461 C ALA A 29 -2.912 -10.386 -3.933 1.00 0.00 C ATOM 462 O ALA A 29 -1.686 -10.311 -4.029 1.00 0.00 O ATOM 463 CB ALA A 29 -4.240 -9.855 -5.984 1.00 0.00 C ATOM 0 H ALA A 29 -5.791 -11.360 -4.809 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.114 -11.642 -5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.387 -9.292 -6.363 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.789 -10.289 -6.820 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.897 -9.188 -5.426 1.00 0.00 H new ATOM 469 N ILE A 30 -3.579 -9.980 -2.858 1.00 0.00 N ATOM 470 CA ILE A 30 -2.891 -9.410 -1.706 1.00 0.00 C ATOM 471 C ILE A 30 -1.936 -10.423 -1.086 1.00 0.00 C ATOM 472 O ILE A 30 -0.781 -10.110 -0.802 1.00 0.00 O ATOM 473 CB ILE A 30 -3.886 -8.935 -0.628 1.00 0.00 C ATOM 474 CG1 ILE A 30 -4.985 -8.074 -1.254 1.00 0.00 C ATOM 475 CG2 ILE A 30 -3.156 -8.163 0.460 1.00 0.00 C ATOM 476 CD1 ILE A 30 -4.458 -6.904 -2.056 1.00 0.00 C ATOM 0 H ILE A 30 -4.593 -10.035 -2.761 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.327 -8.551 -2.069 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.353 -9.810 -0.177 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.600 -8.699 -1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.635 -7.698 -0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.871 -7.834 1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.409 -8.807 0.924 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.664 -7.294 0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.294 -6.340 -2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.867 -6.256 -1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.832 -7.272 -2.869 1.00 0.00 H new ATOM 488 N ASN A 31 -2.426 -11.641 -0.885 1.00 0.00 N ATOM 489 CA ASN A 31 -1.617 -12.704 -0.302 1.00 0.00 C ATOM 490 C ASN A 31 -0.436 -13.044 -1.205 1.00 0.00 C ATOM 491 O ASN A 31 0.652 -13.360 -0.725 1.00 0.00 O ATOM 492 CB ASN A 31 -2.470 -13.951 -0.062 1.00 0.00 C ATOM 493 CG ASN A 31 -3.001 -14.024 1.356 1.00 0.00 C ATOM 494 OD1 ASN A 31 -4.118 -13.588 1.636 1.00 0.00 O ATOM 495 ND2 ASN A 31 -2.201 -14.577 2.260 1.00 0.00 N ATOM 0 H ASN A 31 -3.380 -11.917 -1.117 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.230 -12.351 0.654 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.306 -13.956 -0.761 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.875 -14.840 -0.271 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.504 -14.654 3.231 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.283 -14.925 1.984 1.00 0.00 H new ATOM 502 N LYS A 32 -0.659 -12.980 -2.514 1.00 0.00 N ATOM 503 CA LYS A 32 0.386 -13.284 -3.482 1.00 0.00 C ATOM 504 C LYS A 32 1.408 -12.158 -3.558 1.00 0.00 C ATOM 505 O LYS A 32 2.577 -12.386 -3.869 1.00 0.00 O ATOM 506 CB LYS A 32 -0.220 -13.531 -4.864 1.00 0.00 C ATOM 507 CG LYS A 32 -1.387 -14.507 -4.853 1.00 0.00 C ATOM 508 CD LYS A 32 -1.147 -15.680 -5.793 1.00 0.00 C ATOM 509 CE LYS A 32 -0.722 -16.927 -5.036 1.00 0.00 C ATOM 510 NZ LYS A 32 -1.765 -17.989 -5.084 1.00 0.00 N ATOM 0 H LYS A 32 -1.554 -12.720 -2.928 1.00 0.00 H new ATOM 0 HA LYS A 32 0.895 -14.189 -3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.556 -12.581 -5.279 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.555 -13.913 -5.528 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.542 -14.878 -3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.299 -13.987 -5.145 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.057 -15.888 -6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.378 -15.414 -6.518 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.206 -17.310 -5.460 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.515 -16.668 -3.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.436 -18.823 -4.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.643 -17.632 -4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.945 -18.255 -6.073 1.00 0.00 H new ATOM 524 N TRP A 33 0.959 -10.945 -3.278 1.00 0.00 N ATOM 525 CA TRP A 33 1.819 -9.780 -3.315 1.00 0.00 C ATOM 526 C TRP A 33 2.833 -9.808 -2.177 1.00 0.00 C ATOM 527 O TRP A 33 4.029 -9.604 -2.393 1.00 0.00 O ATOM 528 CB TRP A 33 0.947 -8.538 -3.225 1.00 0.00 C ATOM 529 CG TRP A 33 0.212 -8.242 -4.481 1.00 0.00 C ATOM 530 CD1 TRP A 33 0.426 -8.812 -5.686 1.00 0.00 C ATOM 531 CD2 TRP A 33 -0.865 -7.324 -4.651 1.00 0.00 C ATOM 532 NE1 TRP A 33 -0.439 -8.293 -6.619 1.00 0.00 N ATOM 533 CE2 TRP A 33 -1.246 -7.374 -6.002 1.00 0.00 C ATOM 534 CE3 TRP A 33 -1.536 -6.464 -3.790 1.00 0.00 C ATOM 535 CZ2 TRP A 33 -2.274 -6.589 -6.514 1.00 0.00 C ATOM 536 CZ3 TRP A 33 -2.560 -5.683 -4.294 1.00 0.00 C ATOM 537 CH2 TRP A 33 -2.920 -5.750 -5.647 1.00 0.00 C ATOM 0 H TRP A 33 -0.007 -10.744 -3.020 1.00 0.00 H new ATOM 0 HA TRP A 33 2.383 -9.774 -4.248 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.230 -8.665 -2.414 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.571 -7.682 -2.968 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.171 -9.568 -5.888 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -0.474 -8.549 -7.606 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.263 -6.407 -2.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.552 -6.640 -7.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -3.090 -5.011 -3.635 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.723 -5.127 -6.013 1.00 0.00 H new ATOM 548 N ILE A 34 2.350 -10.066 -0.967 1.00 0.00 N ATOM 549 CA ILE A 34 3.214 -10.125 0.204 1.00 0.00 C ATOM 550 C ILE A 34 3.974 -11.447 0.257 1.00 0.00 C ATOM 551 O ILE A 34 5.055 -11.530 0.843 1.00 0.00 O ATOM 552 CB ILE A 34 2.409 -9.959 1.507 1.00 0.00 C ATOM 553 CG1 ILE A 34 1.475 -8.753 1.406 1.00 0.00 C ATOM 554 CG2 ILE A 34 3.347 -9.812 2.695 1.00 0.00 C ATOM 555 CD1 ILE A 34 0.492 -8.650 2.552 1.00 0.00 C ATOM 0 H ILE A 34 1.364 -10.238 -0.772 1.00 0.00 H new ATOM 0 HA ILE A 34 3.922 -9.301 0.116 1.00 0.00 H new ATOM 0 HB ILE A 34 1.802 -10.852 1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.073 -7.843 1.369 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.922 -8.810 0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.763 -9.696 3.608 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.974 -10.700 2.776 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.978 -8.935 2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.138 -7.771 2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.132 -9.543 2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.037 -8.561 3.492 1.00 0.00 H new ATOM 567 N HIS A 35 3.404 -12.478 -0.359 1.00 0.00 N ATOM 568 CA HIS A 35 4.025 -13.796 -0.386 1.00 0.00 C ATOM 569 C HIS A 35 5.393 -13.742 -1.053 1.00 0.00 C ATOM 570 O HIS A 35 6.283 -14.535 -0.740 1.00 0.00 O ATOM 571 CB HIS A 35 3.121 -14.785 -1.124 1.00 0.00 C ATOM 572 CG HIS A 35 2.327 -15.671 -0.215 1.00 0.00 C ATOM 573 ND1 HIS A 35 2.192 -15.441 1.139 1.00 0.00 N ATOM 574 CD2 HIS A 35 1.621 -16.797 -0.474 1.00 0.00 C ATOM 575 CE1 HIS A 35 1.438 -16.386 1.672 1.00 0.00 C ATOM 576 NE2 HIS A 35 1.079 -17.221 0.714 1.00 0.00 N ATOM 0 H HIS A 35 2.510 -12.425 -0.847 1.00 0.00 H new ATOM 0 HA HIS A 35 4.161 -14.131 0.642 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.436 -14.229 -1.764 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.734 -15.406 -1.777 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.506 -17.273 -1.436 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.162 -16.463 2.713 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.494 -18.047 0.837 1.00 0.00 H new ATOM 585 N ALA A 36 5.551 -12.805 -1.974 1.00 0.00 N ATOM 586 CA ALA A 36 6.807 -12.640 -2.696 1.00 0.00 C ATOM 587 C ALA A 36 7.505 -11.334 -2.318 1.00 0.00 C ATOM 588 O ALA A 36 8.508 -10.962 -2.926 1.00 0.00 O ATOM 589 CB ALA A 36 6.559 -12.692 -4.194 1.00 0.00 C ATOM 0 H ALA A 36 4.823 -12.143 -2.242 1.00 0.00 H new ATOM 0 HA ALA A 36 7.466 -13.461 -2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.504 -12.568 -4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.119 -13.654 -4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.876 -11.891 -4.478 1.00 0.00 H new ATOM 595 N GLY A 37 6.972 -10.643 -1.315 1.00 0.00 N ATOM 596 CA GLY A 37 7.564 -9.391 -0.882 1.00 0.00 C ATOM 597 C GLY A 37 7.610 -8.356 -1.990 1.00 0.00 C ATOM 598 O GLY A 37 8.619 -7.674 -2.168 1.00 0.00 O ATOM 0 H GLY A 37 6.142 -10.928 -0.795 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.993 -8.994 -0.042 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.575 -9.577 -0.521 1.00 0.00 H new ATOM 602 N ARG A 38 6.515 -8.237 -2.733 1.00 0.00 N ATOM 603 CA ARG A 38 6.437 -7.278 -3.828 1.00 0.00 C ATOM 604 C ARG A 38 6.413 -5.848 -3.297 1.00 0.00 C ATOM 605 O ARG A 38 5.517 -5.470 -2.545 1.00 0.00 O ATOM 606 CB ARG A 38 5.191 -7.541 -4.677 1.00 0.00 C ATOM 607 CG ARG A 38 5.271 -6.948 -6.076 1.00 0.00 C ATOM 608 CD ARG A 38 6.029 -7.860 -7.027 1.00 0.00 C ATOM 609 NE ARG A 38 5.309 -8.060 -8.283 1.00 0.00 N ATOM 610 CZ ARG A 38 5.555 -9.059 -9.127 1.00 0.00 C ATOM 611 NH1 ARG A 38 6.503 -9.948 -8.857 1.00 0.00 N ATOM 612 NH2 ARG A 38 4.851 -9.169 -10.246 1.00 0.00 N ATOM 0 H ARG A 38 5.670 -8.792 -2.597 1.00 0.00 H new ATOM 0 HA ARG A 38 7.324 -7.401 -4.450 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.036 -8.617 -4.756 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.320 -7.130 -4.166 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.264 -6.778 -6.458 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.763 -5.976 -6.033 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.010 -7.432 -7.235 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.197 -8.824 -6.548 1.00 0.00 H new ATOM 0 HE ARG A 38 4.575 -7.395 -8.527 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.048 -9.868 -7.998 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.687 -10.711 -9.508 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.122 -8.488 -10.459 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.039 -9.934 -10.894 1.00 0.00 H new ATOM 626 N LYS A 39 7.406 -5.059 -3.695 1.00 0.00 N ATOM 627 CA LYS A 39 7.500 -3.672 -3.258 1.00 0.00 C ATOM 628 C LYS A 39 6.310 -2.860 -3.761 1.00 0.00 C ATOM 629 O LYS A 39 6.232 -2.514 -4.939 1.00 0.00 O ATOM 630 CB LYS A 39 8.808 -3.047 -3.752 1.00 0.00 C ATOM 631 CG LYS A 39 9.848 -2.870 -2.658 1.00 0.00 C ATOM 632 CD LYS A 39 11.074 -3.736 -2.906 1.00 0.00 C ATOM 633 CE LYS A 39 12.341 -3.070 -2.395 1.00 0.00 C ATOM 634 NZ LYS A 39 13.492 -3.288 -3.315 1.00 0.00 N ATOM 0 H LYS A 39 8.156 -5.357 -4.319 1.00 0.00 H new ATOM 0 HA LYS A 39 7.489 -3.659 -2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.225 -3.673 -4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.592 -2.076 -4.197 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.146 -1.823 -2.604 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.410 -3.126 -1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.945 -4.700 -2.414 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.171 -3.933 -3.974 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.167 -2.000 -2.278 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.585 -3.463 -1.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.310 -3.631 -2.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.233 -3.993 -4.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.738 -2.392 -3.782 1.00 0.00 H new ATOM 648 N ILE A 40 5.384 -2.559 -2.855 1.00 0.00 N ATOM 649 CA ILE A 40 4.197 -1.788 -3.202 1.00 0.00 C ATOM 650 C ILE A 40 3.830 -0.820 -2.082 1.00 0.00 C ATOM 651 O ILE A 40 4.193 -1.029 -0.925 1.00 0.00 O ATOM 652 CB ILE A 40 2.993 -2.708 -3.486 1.00 0.00 C ATOM 653 CG1 ILE A 40 3.346 -3.725 -4.572 1.00 0.00 C ATOM 654 CG2 ILE A 40 1.776 -1.887 -3.895 1.00 0.00 C ATOM 655 CD1 ILE A 40 2.179 -4.597 -4.987 1.00 0.00 C ATOM 0 H ILE A 40 5.434 -2.838 -1.875 1.00 0.00 H new ATOM 0 HA ILE A 40 4.434 -1.225 -4.105 1.00 0.00 H new ATOM 0 HB ILE A 40 2.748 -3.249 -2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.722 -3.194 -5.447 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.155 -4.361 -4.213 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.936 -2.554 -4.091 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.513 -1.200 -3.090 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.007 -1.319 -4.796 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.502 -5.294 -5.760 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.817 -5.155 -4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.377 -3.970 -5.376 1.00 0.00 H new ATOM 667 N PHE A 41 3.101 0.235 -2.433 1.00 0.00 N ATOM 668 CA PHE A 41 2.683 1.228 -1.450 1.00 0.00 C ATOM 669 C PHE A 41 1.304 1.786 -1.785 1.00 0.00 C ATOM 670 O PHE A 41 1.116 2.429 -2.819 1.00 0.00 O ATOM 671 CB PHE A 41 3.698 2.368 -1.368 1.00 0.00 C ATOM 672 CG PHE A 41 5.045 1.940 -0.862 1.00 0.00 C ATOM 673 CD1 PHE A 41 5.970 1.364 -1.719 1.00 0.00 C ATOM 674 CD2 PHE A 41 5.388 2.113 0.469 1.00 0.00 C ATOM 675 CE1 PHE A 41 7.212 0.969 -1.257 1.00 0.00 C ATOM 676 CE2 PHE A 41 6.627 1.721 0.936 1.00 0.00 C ATOM 677 CZ PHE A 41 7.541 1.148 0.072 1.00 0.00 C ATOM 0 H PHE A 41 2.789 0.424 -3.386 1.00 0.00 H new ATOM 0 HA PHE A 41 2.630 0.731 -0.481 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.815 2.811 -2.357 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.305 3.147 -0.715 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.718 1.222 -2.759 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.678 2.560 1.149 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.924 0.521 -1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.882 1.862 1.976 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.510 0.841 0.436 1.00 0.00 H new ATOM 687 N LEU A 42 0.343 1.535 -0.904 1.00 0.00 N ATOM 688 CA LEU A 42 -1.020 2.008 -1.096 1.00 0.00 C ATOM 689 C LEU A 42 -1.158 3.475 -0.710 1.00 0.00 C ATOM 690 O LEU A 42 -0.863 3.860 0.422 1.00 0.00 O ATOM 691 CB LEU A 42 -1.980 1.163 -0.264 1.00 0.00 C ATOM 692 CG LEU A 42 -2.301 -0.204 -0.859 1.00 0.00 C ATOM 693 CD1 LEU A 42 -1.376 -1.266 -0.284 1.00 0.00 C ATOM 694 CD2 LEU A 42 -3.756 -0.570 -0.610 1.00 0.00 C ATOM 0 H LEU A 42 0.485 1.003 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.266 1.912 -2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.552 1.021 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.910 1.716 -0.134 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.141 -0.155 -1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.619 -2.235 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.342 -1.013 -0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.503 -1.312 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.964 -1.549 -1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.945 -0.600 0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.403 0.176 -1.072 1.00 0.00 H new ATOM 706 N THR A 43 -1.621 4.286 -1.655 1.00 0.00 N ATOM 707 CA THR A 43 -1.810 5.710 -1.411 1.00 0.00 C ATOM 708 C THR A 43 -3.289 6.025 -1.219 1.00 0.00 C ATOM 709 O THR A 43 -4.097 5.841 -2.131 1.00 0.00 O ATOM 710 CB THR A 43 -1.245 6.531 -2.573 1.00 0.00 C ATOM 711 OG1 THR A 43 -0.249 5.801 -3.266 1.00 0.00 O ATOM 712 CG2 THR A 43 -0.635 7.843 -2.135 1.00 0.00 C ATOM 0 H THR A 43 -1.872 3.982 -2.596 1.00 0.00 H new ATOM 0 HA THR A 43 -1.274 5.977 -0.500 1.00 0.00 H new ATOM 0 HB THR A 43 -2.097 6.743 -3.219 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.443 5.813 -4.226 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.253 8.376 -3.006 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.394 8.450 -1.642 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.183 7.650 -1.441 1.00 0.00 H new ATOM 720 N ILE A 44 -3.638 6.496 -0.028 1.00 0.00 N ATOM 721 CA ILE A 44 -5.022 6.833 0.285 1.00 0.00 C ATOM 722 C ILE A 44 -5.343 8.267 -0.118 1.00 0.00 C ATOM 723 O ILE A 44 -4.730 9.214 0.375 1.00 0.00 O ATOM 724 CB ILE A 44 -5.320 6.653 1.787 1.00 0.00 C ATOM 725 CG1 ILE A 44 -4.850 5.276 2.262 1.00 0.00 C ATOM 726 CG2 ILE A 44 -6.805 6.835 2.058 1.00 0.00 C ATOM 727 CD1 ILE A 44 -4.579 5.210 3.749 1.00 0.00 C ATOM 0 H ILE A 44 -2.982 6.653 0.737 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.650 6.149 -0.286 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.773 7.414 2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.606 4.534 2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.942 5.005 1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.999 6.705 3.123 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.110 7.836 1.753 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.371 6.095 1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.250 4.205 4.015 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.801 5.927 4.009 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.491 5.450 4.296 1.00 0.00 H new ATOM 739 N ASN A 45 -6.310 8.420 -1.017 1.00 0.00 N ATOM 740 CA ASN A 45 -6.715 9.741 -1.487 1.00 0.00 C ATOM 741 C ASN A 45 -7.718 10.375 -0.529 1.00 0.00 C ATOM 742 O ASN A 45 -8.271 9.704 0.342 1.00 0.00 O ATOM 743 CB ASN A 45 -7.321 9.645 -2.888 1.00 0.00 C ATOM 744 CG ASN A 45 -6.481 8.803 -3.829 1.00 0.00 C ATOM 745 OD1 ASN A 45 -5.522 9.291 -4.428 1.00 0.00 O ATOM 746 ND2 ASN A 45 -6.836 7.531 -3.963 1.00 0.00 N ATOM 0 H ASN A 45 -6.828 7.647 -1.435 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.827 10.372 -1.526 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.321 9.218 -2.819 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.430 10.647 -3.302 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.307 6.916 -4.582 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.638 7.168 -3.447 1.00 0.00 H new ATOM 753 N ALA A 46 -7.951 11.673 -0.697 1.00 0.00 N ATOM 754 CA ALA A 46 -8.889 12.401 0.151 1.00 0.00 C ATOM 755 C ALA A 46 -10.330 12.018 -0.159 1.00 0.00 C ATOM 756 O ALA A 46 -11.250 12.390 0.574 1.00 0.00 O ATOM 757 CB ALA A 46 -8.694 13.900 -0.016 1.00 0.00 C ATOM 0 H ALA A 46 -7.502 12.243 -1.414 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.686 12.129 1.187 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.400 14.432 0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.676 14.168 0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.866 14.176 -1.056 1.00 0.00 H new ATOM 763 N ASP A 47 -10.530 11.275 -1.244 1.00 0.00 N ATOM 764 CA ASP A 47 -11.870 10.846 -1.642 1.00 0.00 C ATOM 765 C ASP A 47 -12.270 9.560 -0.927 1.00 0.00 C ATOM 766 O ASP A 47 -13.460 9.237 -0.833 1.00 0.00 O ATOM 767 CB ASP A 47 -11.950 10.643 -3.161 1.00 0.00 C ATOM 768 CG ASP A 47 -10.620 10.270 -3.789 1.00 0.00 C ATOM 769 OD1 ASP A 47 -10.300 9.062 -3.836 1.00 0.00 O ATOM 770 OD2 ASP A 47 -9.897 11.186 -4.234 1.00 0.00 O ATOM 0 H ASP A 47 -9.784 10.957 -1.863 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.566 11.634 -1.355 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.678 9.861 -3.378 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.318 11.559 -3.624 1.00 0.00 H new ATOM 775 N GLY A 48 -11.280 8.829 -0.428 1.00 0.00 N ATOM 776 CA GLY A 48 -11.560 7.587 0.270 1.00 0.00 C ATOM 777 C GLY A 48 -11.170 6.365 -0.544 1.00 0.00 C ATOM 778 O GLY A 48 -11.600 5.251 -0.241 1.00 0.00 O ATOM 0 H GLY A 48 -10.292 9.072 -0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.021 7.576 1.217 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.623 7.538 0.507 1.00 0.00 H new ATOM 782 N SER A 49 -10.350 6.571 -1.575 1.00 0.00 N ATOM 783 CA SER A 49 -9.914 5.476 -2.427 1.00 0.00 C ATOM 784 C SER A 49 -8.458 5.124 -2.141 1.00 0.00 C ATOM 785 O SER A 49 -7.776 5.825 -1.393 1.00 0.00 O ATOM 786 CB SER A 49 -10.080 5.844 -3.898 1.00 0.00 C ATOM 787 OG SER A 49 -10.950 4.935 -4.552 1.00 0.00 O ATOM 0 H SER A 49 -9.978 7.484 -1.836 1.00 0.00 H new ATOM 0 HA SER A 49 -10.535 4.607 -2.210 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.476 6.856 -3.981 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.107 5.840 -4.390 1.00 0.00 H new ATOM 0 HG SER A 49 -11.043 5.191 -5.493 1.00 0.00 H new ATOM 793 N VAL A 50 -7.990 4.034 -2.737 1.00 0.00 N ATOM 794 CA VAL A 50 -6.615 3.589 -2.542 1.00 0.00 C ATOM 795 C VAL A 50 -6.093 2.863 -3.773 1.00 0.00 C ATOM 796 O VAL A 50 -6.789 2.036 -4.361 1.00 0.00 O ATOM 797 CB VAL A 50 -6.486 2.663 -1.318 1.00 0.00 C ATOM 798 CG1 VAL A 50 -5.049 2.634 -0.828 1.00 0.00 C ATOM 799 CG2 VAL A 50 -7.424 3.102 -0.202 1.00 0.00 C ATOM 0 H VAL A 50 -8.541 3.442 -3.359 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.017 4.484 -2.371 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.771 1.655 -1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.973 1.976 0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.401 2.265 -1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.740 3.641 -0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.314 2.432 0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.177 4.119 0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.454 3.069 -0.558 1.00 0.00 H new ATOM 809 N TYR A 51 -4.862 3.181 -4.159 1.00 0.00 N ATOM 810 CA TYR A 51 -4.241 2.560 -5.323 1.00 0.00 C ATOM 811 C TYR A 51 -2.834 2.073 -4.991 1.00 0.00 C ATOM 812 O TYR A 51 -2.012 2.827 -4.471 1.00 0.00 O ATOM 813 CB TYR A 51 -4.195 3.546 -6.493 1.00 0.00 C ATOM 814 CG TYR A 51 -3.304 4.741 -6.246 1.00 0.00 C ATOM 815 CD1 TYR A 51 -1.938 4.675 -6.493 1.00 0.00 C ATOM 816 CD2 TYR A 51 -3.828 5.936 -5.768 1.00 0.00 C ATOM 817 CE1 TYR A 51 -1.120 5.766 -6.269 1.00 0.00 C ATOM 818 CE2 TYR A 51 -3.017 7.031 -5.543 1.00 0.00 C ATOM 819 CZ TYR A 51 -1.664 6.942 -5.795 1.00 0.00 C ATOM 820 OH TYR A 51 -0.852 8.030 -5.571 1.00 0.00 O ATOM 0 H TYR A 51 -4.275 3.865 -3.683 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.845 1.699 -5.611 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.847 3.023 -7.384 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.206 3.895 -6.702 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.509 3.757 -6.866 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.887 6.010 -5.569 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.060 5.698 -6.464 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.440 7.953 -5.172 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.391 8.778 -5.239 1.00 0.00 H new ATOM 830 N ALA A 52 -2.565 0.808 -5.293 1.00 0.00 N ATOM 831 CA ALA A 52 -1.259 0.219 -5.026 1.00 0.00 C ATOM 832 C ALA A 52 -0.359 0.306 -6.252 1.00 0.00 C ATOM 833 O ALA A 52 -0.598 -0.362 -7.259 1.00 0.00 O ATOM 834 CB ALA A 52 -1.418 -1.227 -4.581 1.00 0.00 C ATOM 0 H ALA A 52 -3.235 0.170 -5.723 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.786 0.784 -4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.436 -1.657 -4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.019 -1.264 -3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.913 -1.797 -5.367 1.00 0.00 H new ATOM 840 N GLU A 53 0.677 1.133 -6.162 1.00 0.00 N ATOM 841 CA GLU A 53 1.614 1.307 -7.266 1.00 0.00 C ATOM 842 C GLU A 53 2.929 0.584 -6.987 1.00 0.00 C ATOM 843 O GLU A 53 3.224 0.234 -5.845 1.00 0.00 O ATOM 844 CB GLU A 53 1.876 2.796 -7.514 1.00 0.00 C ATOM 845 CG GLU A 53 2.653 3.479 -6.398 1.00 0.00 C ATOM 846 CD GLU A 53 1.763 3.938 -5.258 1.00 0.00 C ATOM 847 OE1 GLU A 53 0.539 3.700 -5.326 1.00 0.00 O ATOM 848 OE2 GLU A 53 2.292 4.537 -4.298 1.00 0.00 O ATOM 0 H GLU A 53 0.889 1.693 -5.336 1.00 0.00 H new ATOM 0 HA GLU A 53 1.166 0.872 -8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.427 2.907 -8.448 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.922 3.306 -7.644 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.405 2.791 -6.012 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.186 4.338 -6.805 1.00 0.00 H new ATOM 855 N GLU A 54 3.714 0.368 -8.037 1.00 0.00 N ATOM 856 CA GLU A 54 4.997 -0.311 -7.903 1.00 0.00 C ATOM 857 C GLU A 54 6.139 0.696 -7.826 1.00 0.00 C ATOM 858 O GLU A 54 6.357 1.476 -8.753 1.00 0.00 O ATOM 859 CB GLU A 54 5.220 -1.262 -9.080 1.00 0.00 C ATOM 860 CG GLU A 54 5.938 -2.546 -8.695 1.00 0.00 C ATOM 861 CD GLU A 54 5.054 -3.772 -8.821 1.00 0.00 C ATOM 862 OE1 GLU A 54 4.182 -3.785 -9.715 1.00 0.00 O ATOM 863 OE2 GLU A 54 5.236 -4.718 -8.028 1.00 0.00 O ATOM 0 H GLU A 54 3.484 0.653 -8.989 1.00 0.00 H new ATOM 0 HA GLU A 54 4.980 -0.887 -6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.256 -1.513 -9.522 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.798 -0.748 -9.848 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.816 -2.670 -9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.294 -2.464 -7.668 1.00 0.00 H new ATOM 870 N VAL A 55 6.863 0.674 -6.712 1.00 0.00 N ATOM 871 CA VAL A 55 7.983 1.584 -6.511 1.00 0.00 C ATOM 872 C VAL A 55 9.248 1.053 -7.178 1.00 0.00 C ATOM 873 O VAL A 55 9.467 -0.157 -7.244 1.00 0.00 O ATOM 874 CB VAL A 55 8.255 1.810 -5.010 1.00 0.00 C ATOM 875 CG1 VAL A 55 8.585 0.497 -4.320 1.00 0.00 C ATOM 876 CG2 VAL A 55 9.375 2.822 -4.812 1.00 0.00 C ATOM 0 H VAL A 55 6.694 0.036 -5.935 1.00 0.00 H new ATOM 0 HA VAL A 55 7.710 2.535 -6.969 1.00 0.00 H new ATOM 0 HB VAL A 55 7.350 2.213 -4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.773 0.679 -3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.746 -0.191 -4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.473 0.059 -4.776 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.551 2.967 -3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.286 2.453 -5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.091 3.772 -5.265 1.00 0.00 H new ATOM 886 N LYS A 56 10.078 1.966 -7.671 1.00 0.00 N ATOM 887 CA LYS A 56 11.322 1.591 -8.335 1.00 0.00 C ATOM 888 C LYS A 56 12.531 1.943 -7.469 1.00 0.00 C ATOM 889 O LYS A 56 12.877 3.116 -7.328 1.00 0.00 O ATOM 890 CB LYS A 56 11.430 2.293 -9.690 1.00 0.00 C ATOM 891 CG LYS A 56 11.484 3.809 -9.588 1.00 0.00 C ATOM 892 CD LYS A 56 10.717 4.472 -10.721 1.00 0.00 C ATOM 893 CE LYS A 56 10.163 5.824 -10.303 1.00 0.00 C ATOM 894 NZ LYS A 56 11.184 6.901 -10.413 1.00 0.00 N ATOM 0 H LYS A 56 9.912 2.971 -7.623 1.00 0.00 H new ATOM 0 HA LYS A 56 11.312 0.512 -8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.325 1.940 -10.202 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.577 2.009 -10.306 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.068 4.125 -8.632 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.523 4.139 -9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.374 4.597 -11.582 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.899 3.824 -11.036 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.304 6.073 -10.927 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.805 5.767 -9.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.766 7.807 -10.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.993 6.677 -9.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.508 6.973 -11.399 1.00 0.00 H new ATOM 908 N PRO A 57 13.194 0.933 -6.875 1.00 0.00 N ATOM 909 CA PRO A 57 14.367 1.156 -6.024 1.00 0.00 C ATOM 910 C PRO A 57 15.565 1.668 -6.816 1.00 0.00 C ATOM 911 O PRO A 57 15.788 1.265 -7.956 1.00 0.00 O ATOM 912 CB PRO A 57 14.662 -0.230 -5.444 1.00 0.00 C ATOM 913 CG PRO A 57 14.068 -1.186 -6.420 1.00 0.00 C ATOM 914 CD PRO A 57 12.856 -0.498 -6.986 1.00 0.00 C ATOM 0 HA PRO A 57 14.179 1.915 -5.265 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.734 -0.393 -5.334 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.218 -0.348 -4.455 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.780 -1.433 -7.207 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.794 -2.122 -5.933 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.675 -0.789 -8.021 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.955 -0.743 -6.423 1.00 0.00 H new ATOM 922 N ASP A 58 16.335 2.561 -6.201 1.00 0.00 N ATOM 923 CA ASP A 58 17.511 3.131 -6.849 1.00 0.00 C ATOM 924 C ASP A 58 18.792 2.498 -6.309 1.00 0.00 C ATOM 925 O ASP A 58 19.345 2.955 -5.309 1.00 0.00 O ATOM 926 CB ASP A 58 17.549 4.647 -6.639 1.00 0.00 C ATOM 927 CG ASP A 58 17.849 5.399 -7.921 1.00 0.00 C ATOM 928 OD1 ASP A 58 18.545 4.836 -8.791 1.00 0.00 O ATOM 929 OD2 ASP A 58 17.389 6.554 -8.052 1.00 0.00 O ATOM 0 H ASP A 58 16.166 2.905 -5.256 1.00 0.00 H new ATOM 0 HA ASP A 58 17.446 2.920 -7.916 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.591 4.980 -6.241 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.306 4.889 -5.893 1.00 0.00 H new ATOM 934 N PRO A 59 19.285 1.431 -6.966 1.00 0.00 N ATOM 935 CA PRO A 59 20.506 0.741 -6.543 1.00 0.00 C ATOM 936 C PRO A 59 21.753 1.601 -6.738 1.00 0.00 C ATOM 937 O PRO A 59 22.605 1.298 -7.574 1.00 0.00 O ATOM 938 CB PRO A 59 20.557 -0.491 -7.450 1.00 0.00 C ATOM 939 CG PRO A 59 19.772 -0.106 -8.657 1.00 0.00 C ATOM 940 CD PRO A 59 18.690 0.819 -8.170 1.00 0.00 C ATOM 0 HA PRO A 59 20.489 0.500 -5.480 1.00 0.00 H new ATOM 0 HB2 PRO A 59 21.584 -0.748 -7.711 1.00 0.00 H new ATOM 0 HB3 PRO A 59 20.125 -1.363 -6.958 1.00 0.00 H new ATOM 0 HG2 PRO A 59 20.406 0.388 -9.393 1.00 0.00 H new ATOM 0 HG3 PRO A 59 19.346 -0.984 -9.142 1.00 0.00 H new ATOM 0 HD2 PRO A 59 18.435 1.569 -8.919 1.00 0.00 H new ATOM 0 HD3 PRO A 59 17.773 0.278 -7.935 1.00 0.00 H new ATOM 948 N SER A 60 21.850 2.674 -5.961 1.00 0.00 N ATOM 949 CA SER A 60 22.991 3.579 -6.047 1.00 0.00 C ATOM 950 C SER A 60 24.210 2.985 -5.349 1.00 0.00 C ATOM 951 O SER A 60 25.297 2.924 -5.923 1.00 0.00 O ATOM 952 CB SER A 60 22.642 4.933 -5.427 1.00 0.00 C ATOM 953 OG SER A 60 23.727 5.838 -5.536 1.00 0.00 O ATOM 0 H SER A 60 21.153 2.939 -5.265 1.00 0.00 H new ATOM 0 HA SER A 60 23.232 3.721 -7.100 1.00 0.00 H new ATOM 0 HB2 SER A 60 21.766 5.349 -5.924 1.00 0.00 H new ATOM 0 HB3 SER A 60 22.380 4.799 -4.378 1.00 0.00 H new ATOM 0 HG SER A 60 23.479 6.696 -5.134 1.00 0.00 H new ATOM 959 N ASN A 61 24.022 2.550 -4.106 1.00 0.00 N ATOM 960 CA ASN A 61 25.108 1.963 -3.330 1.00 0.00 C ATOM 961 C ASN A 61 24.917 0.457 -3.184 1.00 0.00 C ATOM 962 O ASN A 61 23.937 -0.002 -2.598 1.00 0.00 O ATOM 963 CB ASN A 61 25.185 2.615 -1.948 1.00 0.00 C ATOM 964 CG ASN A 61 25.815 3.993 -1.994 1.00 0.00 C ATOM 965 OD1 ASN A 61 26.384 4.396 -3.010 1.00 0.00 O ATOM 966 ND2 ASN A 61 25.720 4.725 -0.891 1.00 0.00 N ATOM 0 H ASN A 61 23.129 2.593 -3.616 1.00 0.00 H new ATOM 0 HA ASN A 61 26.042 2.144 -3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 61 24.182 2.691 -1.529 1.00 0.00 H new ATOM 0 HB3 ASN A 61 25.763 1.976 -1.280 1.00 0.00 H new ATOM 0 HD21 ASN A 61 26.127 5.660 -0.863 1.00 0.00 H new ATOM 0 HD22 ASN A 61 25.240 4.353 -0.072 1.00 0.00 H new ATOM 973 N LYS A 62 25.863 -0.308 -3.719 1.00 0.00 N ATOM 974 CA LYS A 62 25.800 -1.764 -3.648 1.00 0.00 C ATOM 975 C LYS A 62 26.805 -2.303 -2.634 1.00 0.00 C ATOM 976 O LYS A 62 26.428 -2.945 -1.653 1.00 0.00 O ATOM 977 CB LYS A 62 26.066 -2.377 -5.024 1.00 0.00 C ATOM 978 CG LYS A 62 24.797 -2.709 -5.796 1.00 0.00 C ATOM 979 CD LYS A 62 24.884 -4.078 -6.450 1.00 0.00 C ATOM 980 CE LYS A 62 25.907 -4.097 -7.575 1.00 0.00 C ATOM 981 NZ LYS A 62 27.165 -4.781 -7.171 1.00 0.00 N ATOM 0 H LYS A 62 26.682 0.056 -4.206 1.00 0.00 H new ATOM 0 HA LYS A 62 24.798 -2.043 -3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 62 26.668 -1.684 -5.611 1.00 0.00 H new ATOM 0 HB3 LYS A 62 26.655 -3.286 -4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 62 23.942 -2.681 -5.121 1.00 0.00 H new ATOM 0 HG3 LYS A 62 24.626 -1.950 -6.560 1.00 0.00 H new ATOM 0 HD2 LYS A 62 25.152 -4.823 -5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 62 23.906 -4.357 -6.842 1.00 0.00 H new ATOM 0 HE2 LYS A 62 25.482 -4.601 -8.443 1.00 0.00 H new ATOM 0 HE3 LYS A 62 26.131 -3.074 -7.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 27.713 -5.029 -8.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 27.727 -4.146 -6.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 26.935 -5.646 -6.642 1.00 0.00 H new ATOM 995 N LYS A 63 28.084 -2.040 -2.879 1.00 0.00 N ATOM 996 CA LYS A 63 29.144 -2.500 -1.989 1.00 0.00 C ATOM 997 C LYS A 63 30.114 -1.369 -1.667 1.00 0.00 C ATOM 998 O LYS A 63 30.244 -0.413 -2.433 1.00 0.00 O ATOM 999 CB LYS A 63 29.899 -3.669 -2.625 1.00 0.00 C ATOM 1000 CG LYS A 63 29.215 -5.012 -2.431 1.00 0.00 C ATOM 1001 CD LYS A 63 28.189 -5.279 -3.523 1.00 0.00 C ATOM 1002 CE LYS A 63 28.318 -6.689 -4.077 1.00 0.00 C ATOM 1003 NZ LYS A 63 29.344 -6.772 -5.152 1.00 0.00 N ATOM 0 H LYS A 63 28.412 -1.511 -3.687 1.00 0.00 H new ATOM 0 HA LYS A 63 28.684 -2.835 -1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 63 30.013 -3.479 -3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 63 30.902 -3.717 -2.201 1.00 0.00 H new ATOM 0 HG2 LYS A 63 29.962 -5.805 -2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 63 28.726 -5.035 -1.457 1.00 0.00 H new ATOM 0 HD2 LYS A 63 27.185 -5.134 -3.124 1.00 0.00 H new ATOM 0 HD3 LYS A 63 28.318 -4.557 -4.329 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.581 -7.373 -3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 63 27.354 -7.014 -4.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.401 -7.749 -5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.080 -6.138 -5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.269 -6.486 -4.772 1.00 0.00 H new ATOM 1017 N THR A 64 30.793 -1.482 -0.531 1.00 0.00 N ATOM 1018 CA THR A 64 31.751 -0.467 -0.108 1.00 0.00 C ATOM 1019 C THR A 64 32.856 -1.083 0.744 1.00 0.00 C ATOM 1020 O THR A 64 32.696 -1.258 1.953 1.00 0.00 O ATOM 1021 CB THR A 64 31.043 0.639 0.675 1.00 0.00 C ATOM 1022 OG1 THR A 64 31.977 1.586 1.163 1.00 0.00 O ATOM 1023 CG2 THR A 64 30.254 0.123 1.859 1.00 0.00 C ATOM 0 H THR A 64 30.698 -2.267 0.114 1.00 0.00 H new ATOM 0 HA THR A 64 32.203 -0.036 -1.001 1.00 0.00 H new ATOM 0 HB THR A 64 30.351 1.095 -0.033 1.00 0.00 H new ATOM 0 HG1 THR A 64 31.504 2.286 1.660 1.00 0.00 H new ATOM 0 HG21 THR A 64 29.777 0.959 2.371 1.00 0.00 H new ATOM 0 HG22 THR A 64 29.491 -0.573 1.512 1.00 0.00 H new ATOM 0 HG23 THR A 64 30.925 -0.389 2.548 1.00 0.00 H new ATOM 1031 N THR A 65 33.976 -1.408 0.108 1.00 0.00 N ATOM 1032 CA THR A 65 35.108 -2.004 0.807 1.00 0.00 C ATOM 1033 C THR A 65 36.376 -1.187 0.581 1.00 0.00 C ATOM 1034 O THR A 65 37.480 -1.731 0.549 1.00 0.00 O ATOM 1035 CB THR A 65 35.324 -3.443 0.339 1.00 0.00 C ATOM 1036 OG1 THR A 65 34.939 -3.593 -1.016 1.00 0.00 O ATOM 1037 CG2 THR A 65 34.553 -4.459 1.153 1.00 0.00 C ATOM 0 H THR A 65 34.124 -1.268 -0.891 1.00 0.00 H new ATOM 0 HA THR A 65 34.884 -2.007 1.874 1.00 0.00 H new ATOM 0 HB THR A 65 36.390 -3.632 0.469 1.00 0.00 H new ATOM 0 HG1 THR A 65 35.086 -4.520 -1.297 1.00 0.00 H new ATOM 0 HG21 THR A 65 34.751 -5.459 0.768 1.00 0.00 H new ATOM 0 HG22 THR A 65 34.866 -4.403 2.196 1.00 0.00 H new ATOM 0 HG23 THR A 65 33.486 -4.248 1.082 1.00 0.00 H new ATOM 1045 N ALA A 66 36.211 0.122 0.425 1.00 0.00 N ATOM 1046 CA ALA A 66 37.341 1.015 0.202 1.00 0.00 C ATOM 1047 C ALA A 66 38.166 1.184 1.474 1.00 0.00 C ATOM 1048 O ALA A 66 39.411 1.122 1.384 1.00 0.00 O ATOM 1049 CB ALA A 66 36.855 2.368 -0.297 1.00 0.00 C ATOM 1050 OXT ALA A 66 37.560 1.378 2.549 1.00 0.00 O ATOM 0 H ALA A 66 35.304 0.588 0.449 1.00 0.00 H new ATOM 0 HA ALA A 66 37.981 0.568 -0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 66 37.710 3.025 -0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 66 36.315 2.237 -1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 66 36.192 2.813 0.445 1.00 0.00 H new TER 1056 ALA A 66