USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 777 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 47 GLN : amide:sc= 0.428 K(o=2,f=-1.2) USER MOD Set 1.2: A 87 LYS NZ :NH3+ -171:sc= 1.62 (180deg=0.928) USER MOD Set 2.1: A 9 GLN : amide:sc= 0.456 K(o=1,f=-2.9) USER MOD Set 2.2: A 45 ASN : amide:sc= 0.552 K(o=1,f=-2) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -146:sc= 1.18 (180deg=-0.233!) USER MOD Single : A 5 THR OG1 : rot 87:sc= 0.886 USER MOD Single : A 7 LYS NZ :NH3+ -120:sc= 2.02 (180deg=0.193) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 22 SER OG : rot 40:sc= 0.754 USER MOD Single : A 23 THR OG1 : rot -115:sc= 1.15 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 1.13 K(o=1.1,f=-0.073) USER MOD Single : A 36 LYS NZ :NH3+ -132:sc= 1.01 (180deg=0.662) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 19:sc= 0.811 USER MOD Single : A 54 ASN : amide:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 177:sc= 2.3 (180deg=2.27) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 71 LYS NZ :NH3+ 178:sc= 1.13 (180deg=1.03) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0228 USER MOD Single : A 75 LYS NZ :NH3+ -121:sc= 1.35 (180deg=-0.146) USER MOD Single : A 78 ASN : amide:sc= 1.07 K(o=1.1,f=-1.1) USER MOD Single : A 82 ASN : amide:sc= 1.2 K(o=1.2,f=-0.017) USER MOD Single : A 84 THR OG1 : rot 164:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 1 2.250 12.995 4.845 1.00 0.00 N ATOM 36 CA LYS A 1 1.504 13.545 6.013 1.00 0.00 C ATOM 37 C LYS A 1 0.832 12.423 6.864 1.00 0.00 C ATOM 38 O LYS A 1 1.302 12.150 7.971 1.00 0.00 O ATOM 39 CB LYS A 1 0.572 14.707 5.574 1.00 0.00 C ATOM 40 CG LYS A 1 1.284 16.036 5.226 1.00 0.00 C ATOM 41 CD LYS A 1 0.282 17.176 4.916 1.00 0.00 C ATOM 42 CE LYS A 1 0.766 18.594 5.287 1.00 0.00 C ATOM 43 NZ LYS A 1 0.647 18.818 6.756 1.00 0.00 N ATOM 0 H1 LYS A 1 2.680 13.776 4.309 1.00 0.00 H new ATOM 0 H2 LYS A 1 2.997 12.353 5.181 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.595 12.472 4.230 1.00 0.00 H new ATOM 0 HA LYS A 1 2.212 13.998 6.707 1.00 0.00 H new ATOM 0 HB2 LYS A 1 0.000 14.383 4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -0.144 14.897 6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 1 1.922 16.333 6.058 1.00 0.00 H new ATOM 0 HG3 LYS A 1 1.934 15.883 4.365 1.00 0.00 H new ATOM 0 HD2 LYS A 1 0.051 17.155 3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -0.648 16.976 5.448 1.00 0.00 H new ATOM 0 HE2 LYS A 1 1.803 18.724 4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 1 0.177 19.338 4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 0.407 19.814 6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -0.101 18.206 7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 1.552 18.591 7.216 1.00 0.00 H new ATOM 57 N VAL A 2 -0.251 11.783 6.381 1.00 0.00 N ATOM 58 CA VAL A 2 -0.864 10.596 7.061 1.00 0.00 C ATOM 59 C VAL A 2 -1.041 9.494 5.966 1.00 0.00 C ATOM 60 O VAL A 2 -2.068 9.441 5.279 1.00 0.00 O ATOM 61 CB VAL A 2 -2.184 10.953 7.836 1.00 0.00 C ATOM 62 CG1 VAL A 2 -2.815 9.729 8.545 1.00 0.00 C ATOM 63 CG2 VAL A 2 -2.007 12.050 8.913 1.00 0.00 C ATOM 0 H VAL A 2 -0.729 12.059 5.523 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.214 10.220 7.851 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.838 11.322 7.046 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.723 10.037 9.063 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.060 8.966 7.806 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.107 9.321 9.266 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.963 12.238 9.401 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.280 11.718 9.654 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.653 12.968 8.443 1.00 0.00 H new ATOM 73 N ASP A 3 -0.032 8.617 5.806 1.00 0.00 N ATOM 74 CA ASP A 3 -0.100 7.484 4.846 1.00 0.00 C ATOM 75 C ASP A 3 -0.583 6.193 5.565 1.00 0.00 C ATOM 76 O ASP A 3 0.100 5.696 6.464 1.00 0.00 O ATOM 77 CB ASP A 3 1.278 7.288 4.168 1.00 0.00 C ATOM 78 CG ASP A 3 1.212 6.352 2.964 1.00 0.00 C ATOM 79 OD1 ASP A 3 1.221 5.116 3.160 1.00 0.00 O ATOM 80 OD2 ASP A 3 1.106 6.851 1.825 1.00 0.00 O ATOM 0 H ASP A 3 0.844 8.666 6.327 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.827 7.711 4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.663 8.257 3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.984 6.888 4.896 1.00 0.00 H new ATOM 85 N ILE A 4 -1.723 5.626 5.134 1.00 0.00 N ATOM 86 CA ILE A 4 -2.175 4.284 5.600 1.00 0.00 C ATOM 87 C ILE A 4 -1.596 3.212 4.605 1.00 0.00 C ATOM 88 O ILE A 4 -2.277 2.802 3.659 1.00 0.00 O ATOM 89 CB ILE A 4 -3.745 4.226 5.751 1.00 0.00 C ATOM 90 CG1 ILE A 4 -4.414 5.380 6.564 1.00 0.00 C ATOM 91 CG2 ILE A 4 -4.207 2.866 6.337 1.00 0.00 C ATOM 92 CD1 ILE A 4 -5.911 5.588 6.268 1.00 0.00 C ATOM 0 H ILE A 4 -2.354 6.067 4.465 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.795 4.070 6.599 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.089 4.355 4.725 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.292 5.175 7.628 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.883 6.309 6.355 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.293 2.859 6.428 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -3.893 2.059 5.675 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.760 2.723 7.321 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -6.292 6.408 6.876 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -6.043 5.827 5.213 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.459 4.676 6.505 1.00 0.00 H new ATOM 104 N THR A 5 -0.354 2.745 4.832 1.00 0.00 N ATOM 105 CA THR A 5 0.283 1.674 4.010 1.00 0.00 C ATOM 106 C THR A 5 -0.125 0.275 4.586 1.00 0.00 C ATOM 107 O THR A 5 0.371 -0.176 5.624 1.00 0.00 O ATOM 108 CB THR A 5 1.818 1.951 3.880 1.00 0.00 C ATOM 109 OG1 THR A 5 2.054 2.919 2.855 1.00 0.00 O ATOM 110 CG2 THR A 5 2.678 0.749 3.445 1.00 0.00 C ATOM 0 H THR A 5 0.242 3.091 5.584 1.00 0.00 H new ATOM 0 HA THR A 5 -0.079 1.672 2.982 1.00 0.00 H new ATOM 0 HB THR A 5 2.101 2.259 4.887 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.983 3.820 3.233 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.724 1.052 3.387 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.573 -0.056 4.173 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.347 0.399 2.467 1.00 0.00 H new ATOM 118 N ILE A 6 -1.040 -0.407 3.882 1.00 0.00 N ATOM 119 CA ILE A 6 -1.571 -1.744 4.278 1.00 0.00 C ATOM 120 C ILE A 6 -0.756 -2.860 3.540 1.00 0.00 C ATOM 121 O ILE A 6 -0.594 -2.802 2.319 1.00 0.00 O ATOM 122 CB ILE A 6 -3.116 -1.833 3.958 1.00 0.00 C ATOM 123 CG1 ILE A 6 -3.967 -0.710 4.631 1.00 0.00 C ATOM 124 CG2 ILE A 6 -3.701 -3.223 4.322 1.00 0.00 C ATOM 125 CD1 ILE A 6 -5.484 -0.742 4.380 1.00 0.00 C ATOM 0 H ILE A 6 -1.443 -0.054 3.014 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.455 -1.890 5.352 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.185 -1.683 2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.800 -0.757 5.707 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.587 0.253 4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.765 -3.243 4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.188 -3.995 3.748 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.561 -3.409 5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.957 0.090 4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.678 -0.656 3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.894 -1.682 4.749 1.00 0.00 H new ATOM 137 N LYS A 7 -0.349 -3.927 4.253 1.00 0.00 N ATOM 138 CA LYS A 7 -0.032 -5.250 3.633 1.00 0.00 C ATOM 139 C LYS A 7 -0.867 -6.360 4.366 1.00 0.00 C ATOM 140 O LYS A 7 -0.526 -6.776 5.479 1.00 0.00 O ATOM 141 CB LYS A 7 1.507 -5.493 3.674 1.00 0.00 C ATOM 142 CG LYS A 7 2.293 -4.954 2.457 1.00 0.00 C ATOM 143 CD LYS A 7 3.820 -4.925 2.700 1.00 0.00 C ATOM 144 CE LYS A 7 4.684 -4.652 1.452 1.00 0.00 C ATOM 145 NZ LYS A 7 4.672 -5.819 0.527 1.00 0.00 N ATOM 0 H LYS A 7 -0.228 -3.909 5.266 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.315 -5.276 2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.907 -5.032 4.577 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.687 -6.565 3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.079 -5.575 1.587 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.947 -3.947 2.223 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.038 -4.160 3.446 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.121 -5.882 3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.311 -3.769 0.933 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.708 -4.435 1.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.642 -6.173 0.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.077 -6.573 0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.288 -5.528 -0.395 1.00 0.00 H new ATOM 159 N ILE A 8 -1.969 -6.837 3.746 1.00 0.00 N ATOM 160 CA ILE A 8 -2.843 -7.915 4.321 1.00 0.00 C ATOM 161 C ILE A 8 -2.495 -9.302 3.696 1.00 0.00 C ATOM 162 O ILE A 8 -2.680 -9.516 2.493 1.00 0.00 O ATOM 163 CB ILE A 8 -4.385 -7.607 4.228 1.00 0.00 C ATOM 164 CG1 ILE A 8 -4.920 -7.126 2.846 1.00 0.00 C ATOM 165 CG2 ILE A 8 -4.806 -6.626 5.342 1.00 0.00 C ATOM 166 CD1 ILE A 8 -6.448 -7.183 2.654 1.00 0.00 C ATOM 0 H ILE A 8 -2.287 -6.496 2.839 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.622 -7.946 5.388 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.856 -8.580 4.366 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.593 -6.098 2.690 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.454 -7.731 2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.874 -6.423 5.264 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.590 -7.067 6.315 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.251 -5.694 5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.703 -6.825 1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.791 -8.211 2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.932 -6.553 3.400 1.00 0.00 H new ATOM 178 N GLN A 9 -2.015 -10.252 4.519 1.00 0.00 N ATOM 179 CA GLN A 9 -1.560 -11.584 4.034 1.00 0.00 C ATOM 180 C GLN A 9 -2.741 -12.609 4.008 1.00 0.00 C ATOM 181 O GLN A 9 -3.155 -13.144 5.041 1.00 0.00 O ATOM 182 CB GLN A 9 -0.347 -12.056 4.884 1.00 0.00 C ATOM 183 CG GLN A 9 0.933 -11.179 4.764 1.00 0.00 C ATOM 184 CD GLN A 9 2.184 -11.757 5.431 1.00 0.00 C ATOM 185 OE1 GLN A 9 2.470 -11.518 6.598 1.00 0.00 O ATOM 186 NE2 GLN A 9 2.987 -12.510 4.717 1.00 0.00 N ATOM 0 H GLN A 9 -1.929 -10.129 5.528 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.221 -11.506 3.001 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.649 -12.087 5.931 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.096 -13.076 4.594 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.146 -11.018 3.707 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.727 -10.202 5.200 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.761 -12.717 3.744 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.837 -12.888 5.135 1.00 0.00 H new ATOM 195 N ARG A 10 -3.281 -12.875 2.809 1.00 0.00 N ATOM 196 CA ARG A 10 -4.384 -13.847 2.580 1.00 0.00 C ATOM 197 C ARG A 10 -3.823 -15.246 2.170 1.00 0.00 C ATOM 198 O ARG A 10 -3.735 -15.568 0.980 1.00 0.00 O ATOM 199 CB ARG A 10 -5.308 -13.229 1.485 1.00 0.00 C ATOM 200 CG ARG A 10 -6.349 -12.189 1.980 1.00 0.00 C ATOM 201 CD ARG A 10 -7.601 -12.803 2.641 1.00 0.00 C ATOM 202 NE ARG A 10 -8.426 -13.491 1.612 1.00 0.00 N ATOM 203 CZ ARG A 10 -9.269 -14.499 1.843 1.00 0.00 C ATOM 204 NH1 ARG A 10 -9.543 -14.971 3.034 1.00 0.00 N ATOM 205 NH2 ARG A 10 -9.853 -15.054 0.822 1.00 0.00 N ATOM 0 H ARG A 10 -2.966 -12.419 1.953 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.956 -14.020 3.492 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.679 -12.754 0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.842 -14.039 0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.866 -11.522 2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.663 -11.577 1.134 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.305 -13.510 3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.186 -12.023 3.128 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.340 -13.165 0.649 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.100 -14.564 3.858 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.199 -15.745 3.137 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.661 -14.716 -0.121 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.503 -15.827 0.964 1.00 0.00 H new ATOM 219 N ASP A 11 -3.426 -16.072 3.160 1.00 0.00 N ATOM 220 CA ASP A 11 -2.908 -17.467 2.936 1.00 0.00 C ATOM 221 C ASP A 11 -1.756 -17.590 1.865 1.00 0.00 C ATOM 222 O ASP A 11 -1.873 -18.315 0.872 1.00 0.00 O ATOM 223 CB ASP A 11 -4.096 -18.460 2.726 1.00 0.00 C ATOM 224 CG ASP A 11 -4.995 -18.724 3.939 1.00 0.00 C ATOM 225 OD1 ASP A 11 -5.587 -17.776 4.490 1.00 0.00 O ATOM 226 OD2 ASP A 11 -5.103 -19.884 4.387 1.00 0.00 O ATOM 0 H ASP A 11 -3.450 -15.804 4.144 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.393 -17.761 3.850 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.719 -18.079 1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.687 -19.413 2.391 1.00 0.00 H new ATOM 231 N GLY A 12 -0.658 -16.826 2.043 1.00 0.00 N ATOM 232 CA GLY A 12 0.320 -16.572 0.943 1.00 0.00 C ATOM 233 C GLY A 12 0.216 -15.205 0.219 1.00 0.00 C ATOM 234 O GLY A 12 1.239 -14.553 0.010 1.00 0.00 O ATOM 0 H GLY A 12 -0.420 -16.374 2.926 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.325 -16.663 1.354 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.207 -17.360 0.199 1.00 0.00 H new ATOM 238 N GLN A 13 -0.991 -14.786 -0.198 1.00 0.00 N ATOM 239 CA GLN A 13 -1.202 -13.559 -1.017 1.00 0.00 C ATOM 240 C GLN A 13 -1.167 -12.247 -0.169 1.00 0.00 C ATOM 241 O GLN A 13 -2.170 -11.875 0.449 1.00 0.00 O ATOM 242 CB GLN A 13 -2.574 -13.721 -1.742 1.00 0.00 C ATOM 243 CG GLN A 13 -2.622 -14.769 -2.884 1.00 0.00 C ATOM 244 CD GLN A 13 -4.007 -14.988 -3.514 1.00 0.00 C ATOM 245 OE1 GLN A 13 -4.996 -14.314 -3.244 1.00 0.00 O ATOM 246 NE2 GLN A 13 -4.121 -15.949 -4.401 1.00 0.00 N ATOM 0 H GLN A 13 -1.855 -15.283 0.019 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.386 -13.459 -1.733 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.325 -13.988 -0.999 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.862 -12.753 -2.152 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.929 -14.461 -3.667 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.262 -15.722 -2.496 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.311 -16.521 -4.640 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.019 -16.124 -4.851 1.00 0.00 H new ATOM 255 N GLU A 14 -0.039 -11.508 -0.172 1.00 0.00 N ATOM 256 CA GLU A 14 0.015 -10.145 0.428 1.00 0.00 C ATOM 257 C GLU A 14 -0.599 -9.071 -0.525 1.00 0.00 C ATOM 258 O GLU A 14 -0.040 -8.737 -1.574 1.00 0.00 O ATOM 259 CB GLU A 14 1.420 -9.821 0.991 1.00 0.00 C ATOM 260 CG GLU A 14 2.562 -9.453 0.016 1.00 0.00 C ATOM 261 CD GLU A 14 3.876 -9.173 0.722 1.00 0.00 C ATOM 262 OE1 GLU A 14 3.970 -8.163 1.456 1.00 0.00 O ATOM 263 OE2 GLU A 14 4.831 -9.950 0.527 1.00 0.00 O ATOM 0 H GLU A 14 0.843 -11.822 -0.577 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.631 -10.121 1.305 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.309 -8.993 1.692 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.748 -10.685 1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.703 -10.268 -0.694 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.271 -8.575 -0.561 1.00 0.00 H new ATOM 270 N ILE A 15 -1.795 -8.576 -0.172 1.00 0.00 N ATOM 271 CA ILE A 15 -2.575 -7.639 -1.038 1.00 0.00 C ATOM 272 C ILE A 15 -2.389 -6.221 -0.412 1.00 0.00 C ATOM 273 O ILE A 15 -2.828 -5.972 0.718 1.00 0.00 O ATOM 274 CB ILE A 15 -4.057 -8.135 -1.213 1.00 0.00 C ATOM 275 CG1 ILE A 15 -4.129 -9.526 -1.923 1.00 0.00 C ATOM 276 CG2 ILE A 15 -4.933 -7.114 -1.991 1.00 0.00 C ATOM 277 CD1 ILE A 15 -5.480 -10.252 -1.826 1.00 0.00 C ATOM 0 H ILE A 15 -2.256 -8.802 0.709 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.218 -7.599 -2.067 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.455 -8.234 -0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.885 -9.389 -2.977 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.359 -10.171 -1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.947 -7.502 -2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.956 -6.168 -1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.511 -6.955 -2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.419 -11.205 -2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.723 -10.430 -0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.257 -9.637 -2.279 1.00 0.00 H new ATOM 289 N GLU A 16 -1.686 -5.318 -1.123 1.00 0.00 N ATOM 290 CA GLU A 16 -1.144 -4.068 -0.519 1.00 0.00 C ATOM 291 C GLU A 16 -1.721 -2.744 -1.104 1.00 0.00 C ATOM 292 O GLU A 16 -1.942 -2.613 -2.312 1.00 0.00 O ATOM 293 CB GLU A 16 0.402 -4.138 -0.491 1.00 0.00 C ATOM 294 CG GLU A 16 1.189 -4.081 -1.821 1.00 0.00 C ATOM 295 CD GLU A 16 2.676 -4.272 -1.588 1.00 0.00 C ATOM 296 OE1 GLU A 16 3.124 -5.437 -1.534 1.00 0.00 O ATOM 297 OE2 GLU A 16 3.402 -3.279 -1.379 1.00 0.00 O ATOM 0 H GLU A 16 -1.476 -5.424 -2.116 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.501 -4.022 0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.755 -3.317 0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.678 -5.064 0.013 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.822 -4.853 -2.497 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.015 -3.122 -2.309 1.00 0.00 H new ATOM 304 N ILE A 17 -2.005 -1.772 -0.212 1.00 0.00 N ATOM 305 CA ILE A 17 -2.768 -0.537 -0.566 1.00 0.00 C ATOM 306 C ILE A 17 -2.195 0.656 0.275 1.00 0.00 C ATOM 307 O ILE A 17 -2.265 0.631 1.509 1.00 0.00 O ATOM 308 CB ILE A 17 -4.333 -0.667 -0.362 1.00 0.00 C ATOM 309 CG1 ILE A 17 -5.018 -1.997 -0.819 1.00 0.00 C ATOM 310 CG2 ILE A 17 -5.068 0.499 -1.078 1.00 0.00 C ATOM 311 CD1 ILE A 17 -5.077 -3.097 0.260 1.00 0.00 C ATOM 0 H ILE A 17 -1.719 -1.811 0.766 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.635 -0.362 -1.634 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.428 -0.646 0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.034 -1.773 -1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.483 -2.386 -1.686 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.143 0.397 -0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.733 1.450 -0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.845 0.470 -2.144 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.568 -3.981 -0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.065 -3.356 0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.639 -2.733 1.120 1.00 0.00 H new ATOM 323 N ASP A 18 -1.699 1.724 -0.383 1.00 0.00 N ATOM 324 CA ASP A 18 -1.353 3.008 0.293 1.00 0.00 C ATOM 325 C ASP A 18 -2.540 4.031 0.205 1.00 0.00 C ATOM 326 O ASP A 18 -2.814 4.610 -0.853 1.00 0.00 O ATOM 327 CB ASP A 18 0.027 3.521 -0.214 1.00 0.00 C ATOM 328 CG ASP A 18 0.108 4.139 -1.611 1.00 0.00 C ATOM 329 OD1 ASP A 18 -0.373 3.537 -2.595 1.00 0.00 O ATOM 330 OD2 ASP A 18 0.570 5.291 -1.734 1.00 0.00 O ATOM 0 H ASP A 18 -1.525 1.730 -1.388 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.222 2.853 1.364 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.387 4.264 0.498 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.724 2.684 -0.181 1.00 0.00 H new ATOM 335 N ILE A 19 -3.271 4.251 1.315 1.00 0.00 N ATOM 336 CA ILE A 19 -4.400 5.233 1.362 1.00 0.00 C ATOM 337 C ILE A 19 -3.840 6.536 2.027 1.00 0.00 C ATOM 338 O ILE A 19 -3.798 6.669 3.254 1.00 0.00 O ATOM 339 CB ILE A 19 -5.720 4.687 2.028 1.00 0.00 C ATOM 340 CG1 ILE A 19 -6.227 3.304 1.516 1.00 0.00 C ATOM 341 CG2 ILE A 19 -6.890 5.692 1.851 1.00 0.00 C ATOM 342 CD1 ILE A 19 -5.580 2.088 2.197 1.00 0.00 C ATOM 0 H ILE A 19 -3.109 3.767 2.198 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.741 5.445 0.348 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.429 4.558 3.071 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.306 3.252 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.046 3.241 0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.789 5.291 2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.629 6.641 2.320 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.075 5.851 0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.995 1.172 1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.503 2.108 2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.783 2.120 3.267 1.00 0.00 H new ATOM 354 N ARG A 20 -3.389 7.486 1.193 1.00 0.00 N ATOM 355 CA ARG A 20 -2.661 8.701 1.656 1.00 0.00 C ATOM 356 C ARG A 20 -3.628 9.911 1.887 1.00 0.00 C ATOM 357 O ARG A 20 -4.037 10.588 0.939 1.00 0.00 O ATOM 358 CB ARG A 20 -1.472 8.907 0.673 1.00 0.00 C ATOM 359 CG ARG A 20 -1.799 9.306 -0.793 1.00 0.00 C ATOM 360 CD ARG A 20 -0.772 8.802 -1.835 1.00 0.00 C ATOM 361 NE ARG A 20 -0.991 7.383 -2.261 1.00 0.00 N ATOM 362 CZ ARG A 20 -1.841 6.974 -3.205 1.00 0.00 C ATOM 363 NH1 ARG A 20 -2.706 7.768 -3.780 1.00 0.00 N ATOM 364 NH2 ARG A 20 -1.815 5.728 -3.579 1.00 0.00 N ATOM 0 H ARG A 20 -3.513 7.444 0.181 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.232 8.589 2.652 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.822 9.676 1.091 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.896 7.982 0.647 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.783 8.916 -1.052 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.860 10.392 -0.856 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.814 9.446 -2.713 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.231 8.896 -1.418 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.442 6.666 -1.788 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.753 8.751 -3.512 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.334 7.405 -4.497 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.152 5.081 -3.152 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.458 5.398 -4.299 1.00 0.00 H new ATOM 378 N VAL A 21 -4.047 10.133 3.149 1.00 0.00 N ATOM 379 CA VAL A 21 -5.247 10.968 3.482 1.00 0.00 C ATOM 380 C VAL A 21 -5.016 11.780 4.803 1.00 0.00 C ATOM 381 O VAL A 21 -5.386 11.351 5.901 1.00 0.00 O ATOM 382 CB VAL A 21 -6.589 10.136 3.513 1.00 0.00 C ATOM 383 CG1 VAL A 21 -7.132 9.799 2.107 1.00 0.00 C ATOM 384 CG2 VAL A 21 -6.554 8.844 4.366 1.00 0.00 C ATOM 0 H VAL A 21 -3.577 9.748 3.968 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.371 11.685 2.671 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.272 10.825 4.010 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.055 9.227 2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.331 10.722 1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.394 9.210 1.563 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.525 8.350 4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.786 8.174 3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.326 9.098 5.401 1.00 0.00 H new ATOM 394 N SER A 22 -4.451 12.999 4.699 1.00 0.00 N ATOM 395 CA SER A 22 -4.322 13.930 5.860 1.00 0.00 C ATOM 396 C SER A 22 -5.517 14.929 5.935 1.00 0.00 C ATOM 397 O SER A 22 -5.465 16.037 5.388 1.00 0.00 O ATOM 398 CB SER A 22 -2.946 14.622 5.780 1.00 0.00 C ATOM 399 OG SER A 22 -2.873 15.544 4.690 1.00 0.00 O ATOM 0 H SER A 22 -4.074 13.371 3.827 1.00 0.00 H new ATOM 0 HA SER A 22 -4.369 13.372 6.795 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.750 15.149 6.714 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.167 13.868 5.670 1.00 0.00 H new ATOM 0 HG SER A 22 -3.719 16.033 4.618 1.00 0.00 H new ATOM 405 N THR A 23 -6.608 14.487 6.576 1.00 0.00 N ATOM 406 CA THR A 23 -7.950 15.136 6.482 1.00 0.00 C ATOM 407 C THR A 23 -8.890 14.576 7.602 1.00 0.00 C ATOM 408 O THR A 23 -8.725 13.451 8.082 1.00 0.00 O ATOM 409 CB THR A 23 -8.560 15.005 5.039 1.00 0.00 C ATOM 410 OG1 THR A 23 -9.868 15.563 4.983 1.00 0.00 O ATOM 411 CG2 THR A 23 -8.652 13.586 4.455 1.00 0.00 C ATOM 0 H THR A 23 -6.598 13.666 7.181 1.00 0.00 H new ATOM 0 HA THR A 23 -7.840 16.207 6.653 1.00 0.00 H new ATOM 0 HB THR A 23 -7.839 15.551 4.431 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.519 14.853 4.803 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.089 13.631 3.457 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.654 13.152 4.395 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.278 12.968 5.098 1.00 0.00 H new ATOM 419 N GLY A 24 -9.918 15.348 7.996 1.00 0.00 N ATOM 420 CA GLY A 24 -11.052 14.808 8.806 1.00 0.00 C ATOM 421 C GLY A 24 -12.113 14.034 7.985 1.00 0.00 C ATOM 422 O GLY A 24 -12.276 12.823 8.148 1.00 0.00 O ATOM 0 H GLY A 24 -9.998 16.341 7.775 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.651 14.147 9.574 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.541 15.635 9.321 1.00 0.00 H new ATOM 426 N LYS A 25 -12.804 14.737 7.071 1.00 0.00 N ATOM 427 CA LYS A 25 -13.665 14.086 6.040 1.00 0.00 C ATOM 428 C LYS A 25 -12.812 13.343 4.954 1.00 0.00 C ATOM 429 O LYS A 25 -11.748 13.828 4.556 1.00 0.00 O ATOM 430 CB LYS A 25 -14.587 15.164 5.402 1.00 0.00 C ATOM 431 CG LYS A 25 -15.693 15.713 6.337 1.00 0.00 C ATOM 432 CD LYS A 25 -16.533 16.826 5.669 1.00 0.00 C ATOM 433 CE LYS A 25 -17.688 17.371 6.535 1.00 0.00 C ATOM 434 NZ LYS A 25 -17.186 18.247 7.632 1.00 0.00 N ATOM 0 H LYS A 25 -12.790 15.755 7.016 1.00 0.00 H new ATOM 0 HA LYS A 25 -14.279 13.324 6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.969 15.997 5.066 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.059 14.739 4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -16.350 14.896 6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.235 16.103 7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -15.873 17.653 5.407 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -16.947 16.440 4.737 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -18.380 17.933 5.908 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -18.248 16.539 6.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -17.989 18.595 8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.545 17.703 8.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.673 19.054 7.224 1.00 0.00 H new ATOM 448 N GLU A 26 -13.280 12.153 4.525 1.00 0.00 N ATOM 449 CA GLU A 26 -12.478 11.158 3.731 1.00 0.00 C ATOM 450 C GLU A 26 -11.695 10.131 4.610 1.00 0.00 C ATOM 451 O GLU A 26 -11.861 8.930 4.392 1.00 0.00 O ATOM 452 CB GLU A 26 -11.629 11.657 2.524 1.00 0.00 C ATOM 453 CG GLU A 26 -12.417 12.407 1.425 1.00 0.00 C ATOM 454 CD GLU A 26 -11.568 12.958 0.295 1.00 0.00 C ATOM 455 OE1 GLU A 26 -10.754 13.872 0.538 1.00 0.00 O ATOM 456 OE2 GLU A 26 -11.746 12.497 -0.851 1.00 0.00 O ATOM 0 H GLU A 26 -14.232 11.839 4.714 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.296 10.641 3.228 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.846 12.316 2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.133 10.799 2.071 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.160 11.730 1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.961 13.231 1.886 1.00 0.00 H new ATOM 463 N LEU A 27 -10.899 10.558 5.614 1.00 0.00 N ATOM 464 CA LEU A 27 -10.282 9.634 6.619 1.00 0.00 C ATOM 465 C LEU A 27 -11.298 8.721 7.385 1.00 0.00 C ATOM 466 O LEU A 27 -11.141 7.500 7.349 1.00 0.00 O ATOM 467 CB LEU A 27 -9.380 10.476 7.566 1.00 0.00 C ATOM 468 CG LEU A 27 -8.598 9.729 8.684 1.00 0.00 C ATOM 469 CD1 LEU A 27 -7.536 8.769 8.127 1.00 0.00 C ATOM 470 CD2 LEU A 27 -7.913 10.736 9.622 1.00 0.00 C ATOM 0 H LEU A 27 -10.662 11.539 5.759 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.675 8.907 6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.655 11.009 6.950 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.008 11.229 8.043 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.333 9.138 9.230 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.022 8.276 8.952 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.017 8.019 7.499 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.814 9.330 7.534 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.370 10.198 10.399 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.216 11.350 9.051 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.666 11.375 10.082 1.00 0.00 H new ATOM 482 N GLU A 28 -12.345 9.289 8.015 1.00 0.00 N ATOM 483 CA GLU A 28 -13.458 8.498 8.622 1.00 0.00 C ATOM 484 C GLU A 28 -14.270 7.583 7.630 1.00 0.00 C ATOM 485 O GLU A 28 -14.549 6.425 7.952 1.00 0.00 O ATOM 486 CB GLU A 28 -14.338 9.507 9.414 1.00 0.00 C ATOM 487 CG GLU A 28 -15.404 8.896 10.360 1.00 0.00 C ATOM 488 CD GLU A 28 -14.869 8.038 11.501 1.00 0.00 C ATOM 489 OE1 GLU A 28 -14.310 8.597 12.467 1.00 0.00 O ATOM 490 OE2 GLU A 28 -15.033 6.801 11.444 1.00 0.00 O ATOM 0 H GLU A 28 -12.452 10.298 8.122 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.034 7.745 9.286 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.680 10.143 10.006 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.846 10.153 8.698 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.991 9.709 10.787 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -16.086 8.289 9.764 1.00 0.00 H new ATOM 497 N ARG A 29 -14.595 8.067 6.410 1.00 0.00 N ATOM 498 CA ARG A 29 -15.160 7.209 5.320 1.00 0.00 C ATOM 499 C ARG A 29 -14.226 6.047 4.832 1.00 0.00 C ATOM 500 O ARG A 29 -14.695 4.911 4.724 1.00 0.00 O ATOM 501 CB ARG A 29 -15.638 8.078 4.124 1.00 0.00 C ATOM 502 CG ARG A 29 -16.822 9.040 4.411 1.00 0.00 C ATOM 503 CD ARG A 29 -17.458 9.676 3.158 1.00 0.00 C ATOM 504 NE ARG A 29 -16.548 10.656 2.499 1.00 0.00 N ATOM 505 CZ ARG A 29 -16.791 11.273 1.341 1.00 0.00 C ATOM 506 NH1 ARG A 29 -17.891 11.104 0.648 1.00 0.00 N ATOM 507 NH2 ARG A 29 -15.891 12.086 0.872 1.00 0.00 N ATOM 0 H ARG A 29 -14.479 9.045 6.146 1.00 0.00 H new ATOM 0 HA ARG A 29 -16.014 6.706 5.774 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -14.793 8.669 3.770 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.925 7.413 3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -17.593 8.493 4.954 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -16.473 9.837 5.068 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -17.720 8.892 2.448 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -18.386 10.175 3.437 1.00 0.00 H new ATOM 0 HE ARG A 29 -15.670 10.872 2.971 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -18.617 10.473 0.989 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -18.021 11.603 -0.232 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.024 12.239 1.387 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.052 12.570 -0.011 1.00 0.00 H new ATOM 521 N ALA A 30 -12.924 6.298 4.579 1.00 0.00 N ATOM 522 CA ALA A 30 -11.912 5.224 4.407 1.00 0.00 C ATOM 523 C ALA A 30 -11.761 4.253 5.623 1.00 0.00 C ATOM 524 O ALA A 30 -11.901 3.048 5.431 1.00 0.00 O ATOM 525 CB ALA A 30 -10.580 5.902 4.034 1.00 0.00 C ATOM 0 H ALA A 30 -12.543 7.240 4.488 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.254 4.562 3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.810 5.142 3.899 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.704 6.462 3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.282 6.583 4.832 1.00 0.00 H new ATOM 531 N LEU A 31 -11.549 4.747 6.859 1.00 0.00 N ATOM 532 CA LEU A 31 -11.548 3.921 8.105 1.00 0.00 C ATOM 533 C LEU A 31 -12.771 2.955 8.291 1.00 0.00 C ATOM 534 O LEU A 31 -12.573 1.760 8.536 1.00 0.00 O ATOM 535 CB LEU A 31 -11.376 4.922 9.288 1.00 0.00 C ATOM 536 CG LEU A 31 -11.060 4.325 10.684 1.00 0.00 C ATOM 537 CD1 LEU A 31 -9.619 3.787 10.770 1.00 0.00 C ATOM 538 CD2 LEU A 31 -11.276 5.394 11.771 1.00 0.00 C ATOM 0 H LEU A 31 -11.371 5.736 7.033 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.725 3.209 8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.577 5.616 9.029 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -12.292 5.507 9.371 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.739 3.487 10.843 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.442 3.379 11.765 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.478 3.003 10.026 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.916 4.598 10.580 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.052 4.968 12.749 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.616 6.241 11.584 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.313 5.730 11.750 1.00 0.00 H new ATOM 550 N GLN A 32 -14.010 3.453 8.123 1.00 0.00 N ATOM 551 CA GLN A 32 -15.235 2.615 8.158 1.00 0.00 C ATOM 552 C GLN A 32 -15.497 1.670 6.934 1.00 0.00 C ATOM 553 O GLN A 32 -16.231 0.700 7.109 1.00 0.00 O ATOM 554 CB GLN A 32 -16.437 3.555 8.414 1.00 0.00 C ATOM 555 CG GLN A 32 -16.535 4.125 9.854 1.00 0.00 C ATOM 556 CD GLN A 32 -17.774 4.989 10.114 1.00 0.00 C ATOM 557 OE1 GLN A 32 -18.889 4.699 9.686 1.00 0.00 O ATOM 558 NE2 GLN A 32 -17.639 6.057 10.858 1.00 0.00 N ATOM 0 H GLN A 32 -14.196 4.443 7.960 1.00 0.00 H new ATOM 0 HA GLN A 32 -15.085 1.896 8.964 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -16.382 4.388 7.714 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -17.356 3.012 8.192 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -16.532 3.295 10.560 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -15.644 4.720 10.057 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -16.721 6.312 11.222 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -18.452 6.634 11.074 1.00 0.00 H new ATOM 567 N GLU A 33 -14.932 1.877 5.732 1.00 0.00 N ATOM 568 CA GLU A 33 -14.885 0.819 4.672 1.00 0.00 C ATOM 569 C GLU A 33 -13.642 -0.139 4.736 1.00 0.00 C ATOM 570 O GLU A 33 -13.776 -1.324 4.424 1.00 0.00 O ATOM 571 CB GLU A 33 -15.136 1.479 3.293 1.00 0.00 C ATOM 572 CG GLU A 33 -15.477 0.498 2.133 1.00 0.00 C ATOM 573 CD GLU A 33 -16.747 -0.344 2.284 1.00 0.00 C ATOM 574 OE1 GLU A 33 -17.833 0.227 2.521 1.00 0.00 O ATOM 575 OE2 GLU A 33 -16.660 -1.586 2.167 1.00 0.00 O ATOM 0 H GLU A 33 -14.499 2.759 5.457 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.693 0.113 4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.954 2.192 3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.249 2.048 3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -15.562 1.077 1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.634 -0.181 2.005 1.00 0.00 H new ATOM 582 N LEU A 34 -12.456 0.318 5.180 1.00 0.00 N ATOM 583 CA LEU A 34 -11.288 -0.562 5.481 1.00 0.00 C ATOM 584 C LEU A 34 -11.518 -1.590 6.648 1.00 0.00 C ATOM 585 O LEU A 34 -11.182 -2.762 6.466 1.00 0.00 O ATOM 586 CB LEU A 34 -10.020 0.320 5.687 1.00 0.00 C ATOM 587 CG LEU A 34 -9.524 1.161 4.471 1.00 0.00 C ATOM 588 CD1 LEU A 34 -8.490 2.206 4.927 1.00 0.00 C ATOM 589 CD2 LEU A 34 -8.950 0.300 3.333 1.00 0.00 C ATOM 0 H LEU A 34 -12.270 1.308 5.344 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.140 -1.207 4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.217 1.005 6.512 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.204 -0.331 6.001 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.400 1.667 4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.154 2.785 4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.946 2.874 5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.637 1.700 5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.623 0.945 2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.101 -0.274 3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.719 -0.382 2.970 1.00 0.00 H new ATOM 601 N GLU A 35 -12.157 -1.216 7.784 1.00 0.00 N ATOM 602 CA GLU A 35 -12.785 -2.201 8.731 1.00 0.00 C ATOM 603 C GLU A 35 -13.752 -3.269 8.089 1.00 0.00 C ATOM 604 O GLU A 35 -13.690 -4.461 8.411 1.00 0.00 O ATOM 605 CB GLU A 35 -13.424 -1.421 9.929 1.00 0.00 C ATOM 606 CG GLU A 35 -14.795 -0.719 9.742 1.00 0.00 C ATOM 607 CD GLU A 35 -16.089 -1.545 9.748 1.00 0.00 C ATOM 608 OE1 GLU A 35 -16.267 -2.378 10.668 1.00 0.00 O ATOM 609 OE2 GLU A 35 -16.951 -1.333 8.860 1.00 0.00 O ATOM 0 H GLU A 35 -12.257 -0.244 8.076 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.978 -2.837 9.094 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.527 -2.122 10.757 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.708 -0.661 10.242 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.885 0.030 10.529 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.758 -0.183 8.794 1.00 0.00 H new ATOM 616 N LYS A 36 -14.598 -2.821 7.144 1.00 0.00 N ATOM 617 CA LYS A 36 -15.533 -3.666 6.356 1.00 0.00 C ATOM 618 C LYS A 36 -14.818 -4.653 5.378 1.00 0.00 C ATOM 619 O LYS A 36 -15.085 -5.854 5.434 1.00 0.00 O ATOM 620 CB LYS A 36 -16.535 -2.706 5.640 1.00 0.00 C ATOM 621 CG LYS A 36 -18.027 -3.077 5.783 1.00 0.00 C ATOM 622 CD LYS A 36 -18.992 -2.066 5.111 1.00 0.00 C ATOM 623 CE LYS A 36 -18.874 -0.569 5.490 1.00 0.00 C ATOM 624 NZ LYS A 36 -18.876 -0.328 6.967 1.00 0.00 N ATOM 0 H LYS A 36 -14.657 -1.834 6.895 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.072 -4.334 7.027 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.390 -1.699 6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.286 -2.674 4.579 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -18.189 -4.063 5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -18.273 -3.151 6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -18.858 -2.147 4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -20.011 -2.384 5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -17.955 -0.166 5.065 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -19.701 -0.021 5.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -19.548 0.433 7.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -19.160 -1.198 7.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -17.922 -0.051 7.275 1.00 0.00 H new ATOM 638 N ALA A 37 -13.873 -4.174 4.541 1.00 0.00 N ATOM 639 CA ALA A 37 -12.918 -5.042 3.802 1.00 0.00 C ATOM 640 C ALA A 37 -12.025 -6.026 4.629 1.00 0.00 C ATOM 641 O ALA A 37 -11.735 -7.115 4.132 1.00 0.00 O ATOM 642 CB ALA A 37 -12.070 -4.116 2.911 1.00 0.00 C ATOM 0 H ALA A 37 -13.747 -3.179 4.356 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.526 -5.748 3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.352 -4.711 2.347 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.721 -3.581 2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.537 -3.399 3.535 1.00 0.00 H new ATOM 648 N LEU A 38 -11.623 -5.691 5.869 1.00 0.00 N ATOM 649 CA LEU A 38 -11.031 -6.666 6.830 1.00 0.00 C ATOM 650 C LEU A 38 -12.031 -7.764 7.339 1.00 0.00 C ATOM 651 O LEU A 38 -11.737 -8.957 7.201 1.00 0.00 O ATOM 652 CB LEU A 38 -10.378 -5.878 8.007 1.00 0.00 C ATOM 653 CG LEU A 38 -9.088 -5.070 7.699 1.00 0.00 C ATOM 654 CD1 LEU A 38 -8.716 -4.183 8.899 1.00 0.00 C ATOM 655 CD2 LEU A 38 -7.898 -5.978 7.351 1.00 0.00 C ATOM 0 H LEU A 38 -11.695 -4.744 6.241 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.271 -7.234 6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.122 -5.186 8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.149 -6.588 8.801 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.303 -4.451 6.828 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.810 -3.622 8.670 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.531 -3.488 9.104 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.543 -4.809 9.774 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.021 -5.365 7.144 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.688 -6.640 8.191 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.140 -6.574 6.471 1.00 0.00 H new ATOM 667 N ALA A 39 -13.192 -7.381 7.912 1.00 0.00 N ATOM 668 CA ALA A 39 -14.220 -8.342 8.399 1.00 0.00 C ATOM 669 C ALA A 39 -14.913 -9.220 7.305 1.00 0.00 C ATOM 670 O ALA A 39 -14.915 -10.450 7.421 1.00 0.00 O ATOM 671 CB ALA A 39 -15.234 -7.522 9.223 1.00 0.00 C ATOM 0 H ALA A 39 -13.448 -6.404 8.052 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.717 -9.097 9.003 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -16.012 -8.183 9.604 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -14.722 -7.044 10.058 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -15.685 -6.759 8.589 1.00 0.00 H new ATOM 677 N ARG A 40 -15.445 -8.617 6.226 1.00 0.00 N ATOM 678 CA ARG A 40 -15.938 -9.361 5.027 1.00 0.00 C ATOM 679 C ARG A 40 -14.763 -9.777 4.058 1.00 0.00 C ATOM 680 O ARG A 40 -14.685 -9.359 2.895 1.00 0.00 O ATOM 681 CB ARG A 40 -17.041 -8.436 4.431 1.00 0.00 C ATOM 682 CG ARG A 40 -17.769 -8.915 3.141 1.00 0.00 C ATOM 683 CD ARG A 40 -17.842 -7.841 2.031 1.00 0.00 C ATOM 684 NE ARG A 40 -16.466 -7.587 1.513 1.00 0.00 N ATOM 685 CZ ARG A 40 -16.008 -6.436 1.029 1.00 0.00 C ATOM 686 NH1 ARG A 40 -16.762 -5.392 0.779 1.00 0.00 N ATOM 687 NH2 ARG A 40 -14.734 -6.348 0.790 1.00 0.00 N ATOM 0 H ARG A 40 -15.550 -7.605 6.150 1.00 0.00 H new ATOM 0 HA ARG A 40 -16.369 -10.336 5.256 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.795 -8.275 5.201 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.588 -7.467 4.220 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -17.256 -9.794 2.750 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -18.781 -9.226 3.400 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.493 -8.177 1.224 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.272 -6.920 2.425 1.00 0.00 H new ATOM 0 HE ARG A 40 -15.814 -8.371 1.532 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -17.766 -5.434 0.956 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -16.345 -4.539 0.408 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.124 -7.145 0.974 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.343 -5.482 0.418 1.00 0.00 H new ATOM 701 N ALA A 41 -13.865 -10.639 4.574 1.00 0.00 N ATOM 702 CA ALA A 41 -12.693 -11.197 3.846 1.00 0.00 C ATOM 703 C ALA A 41 -11.984 -12.303 4.689 1.00 0.00 C ATOM 704 O ALA A 41 -11.885 -13.439 4.218 1.00 0.00 O ATOM 705 CB ALA A 41 -11.675 -10.122 3.393 1.00 0.00 C ATOM 0 H ALA A 41 -13.930 -10.979 5.533 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.094 -11.643 2.936 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.848 -10.602 2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.166 -9.415 2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.293 -9.592 4.266 1.00 0.00 H new ATOM 711 N GLY A 42 -11.452 -11.986 5.893 1.00 0.00 N ATOM 712 CA GLY A 42 -10.625 -12.941 6.678 1.00 0.00 C ATOM 713 C GLY A 42 -9.148 -13.014 6.237 1.00 0.00 C ATOM 714 O GLY A 42 -8.755 -13.951 5.537 1.00 0.00 O ATOM 0 H GLY A 42 -11.579 -11.080 6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.664 -12.658 7.730 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.065 -13.935 6.599 1.00 0.00 H new ATOM 718 N ALA A 43 -8.334 -12.034 6.650 1.00 0.00 N ATOM 719 CA ALA A 43 -6.864 -12.061 6.430 1.00 0.00 C ATOM 720 C ALA A 43 -6.085 -12.730 7.607 1.00 0.00 C ATOM 721 O ALA A 43 -6.510 -12.702 8.768 1.00 0.00 O ATOM 722 CB ALA A 43 -6.435 -10.605 6.181 1.00 0.00 C ATOM 0 H ALA A 43 -8.662 -11.203 7.142 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.619 -12.685 5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.359 -10.567 6.013 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.954 -10.218 5.304 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.688 -9.997 7.050 1.00 0.00 H new ATOM 728 N ARG A 44 -4.927 -13.340 7.294 1.00 0.00 N ATOM 729 CA ARG A 44 -4.073 -14.018 8.311 1.00 0.00 C ATOM 730 C ARG A 44 -3.202 -12.999 9.104 1.00 0.00 C ATOM 731 O ARG A 44 -3.485 -12.795 10.282 1.00 0.00 O ATOM 732 CB ARG A 44 -3.249 -15.178 7.680 1.00 0.00 C ATOM 733 CG ARG A 44 -4.037 -16.326 7.009 1.00 0.00 C ATOM 734 CD ARG A 44 -4.905 -17.165 7.967 1.00 0.00 C ATOM 735 NE ARG A 44 -5.523 -18.225 7.138 1.00 0.00 N ATOM 736 CZ ARG A 44 -6.117 -19.328 7.572 1.00 0.00 C ATOM 737 NH1 ARG A 44 -6.399 -19.555 8.831 1.00 0.00 N ATOM 738 NH2 ARG A 44 -6.430 -20.225 6.688 1.00 0.00 N ATOM 0 H ARG A 44 -4.553 -13.382 6.346 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.730 -14.481 9.047 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.579 -14.749 6.935 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.623 -15.610 8.461 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.679 -15.903 6.237 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.330 -16.988 6.509 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.300 -17.597 8.764 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.667 -16.549 8.443 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.488 -18.093 6.127 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.160 -18.862 9.540 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.858 -20.425 9.102 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.218 -20.066 5.703 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.888 -21.089 6.978 1.00 0.00 H new ATOM 752 N ASN A 45 -2.185 -12.362 8.484 1.00 0.00 N ATOM 753 CA ASN A 45 -1.391 -11.280 9.130 1.00 0.00 C ATOM 754 C ASN A 45 -1.775 -9.906 8.502 1.00 0.00 C ATOM 755 O ASN A 45 -1.497 -9.620 7.331 1.00 0.00 O ATOM 756 CB ASN A 45 0.116 -11.634 9.034 1.00 0.00 C ATOM 757 CG ASN A 45 1.077 -10.725 9.820 1.00 0.00 C ATOM 758 OD1 ASN A 45 0.951 -10.503 11.019 1.00 0.00 O ATOM 759 ND2 ASN A 45 2.110 -10.214 9.201 1.00 0.00 N ATOM 0 H ASN A 45 -1.889 -12.576 7.532 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.618 -11.193 10.193 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.251 -12.658 9.382 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.407 -11.614 7.984 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.784 -9.648 9.716 1.00 0.00 H new ATOM 0 HD22 ASN A 45 2.241 -10.382 8.203 1.00 0.00 H new ATOM 766 N VAL A 46 -2.422 -9.062 9.315 1.00 0.00 N ATOM 767 CA VAL A 46 -2.828 -7.683 8.936 1.00 0.00 C ATOM 768 C VAL A 46 -1.720 -6.735 9.482 1.00 0.00 C ATOM 769 O VAL A 46 -1.718 -6.383 10.667 1.00 0.00 O ATOM 770 CB VAL A 46 -4.257 -7.386 9.507 1.00 0.00 C ATOM 771 CG1 VAL A 46 -4.729 -5.927 9.311 1.00 0.00 C ATOM 772 CG2 VAL A 46 -5.362 -8.324 8.976 1.00 0.00 C ATOM 0 H VAL A 46 -2.686 -9.311 10.268 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.909 -7.539 7.859 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.118 -7.573 10.572 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.726 -5.807 9.734 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.038 -5.250 9.814 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.756 -5.693 8.247 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.318 -8.049 9.422 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.427 -8.232 7.892 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.122 -9.354 9.239 1.00 0.00 H new ATOM 782 N GLN A 47 -0.771 -6.343 8.617 1.00 0.00 N ATOM 783 CA GLN A 47 0.325 -5.416 8.995 1.00 0.00 C ATOM 784 C GLN A 47 0.109 -4.021 8.334 1.00 0.00 C ATOM 785 O GLN A 47 0.321 -3.834 7.132 1.00 0.00 O ATOM 786 CB GLN A 47 1.712 -6.076 8.788 1.00 0.00 C ATOM 787 CG GLN A 47 2.079 -6.677 7.409 1.00 0.00 C ATOM 788 CD GLN A 47 3.510 -7.224 7.284 1.00 0.00 C ATOM 789 OE1 GLN A 47 4.381 -7.067 8.141 1.00 0.00 O ATOM 790 NE2 GLN A 47 3.803 -7.880 6.188 1.00 0.00 N ATOM 0 H GLN A 47 -0.735 -6.651 7.645 1.00 0.00 H new ATOM 0 HA GLN A 47 0.301 -5.211 10.065 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.467 -5.328 9.028 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.807 -6.873 9.526 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.380 -7.483 7.186 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.934 -5.910 6.648 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.091 -8.017 5.470 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.743 -8.253 6.053 1.00 0.00 H new ATOM 799 N ILE A 48 -0.354 -3.052 9.145 1.00 0.00 N ATOM 800 CA ILE A 48 -0.717 -1.683 8.672 1.00 0.00 C ATOM 801 C ILE A 48 0.347 -0.694 9.245 1.00 0.00 C ATOM 802 O ILE A 48 0.409 -0.488 10.462 1.00 0.00 O ATOM 803 CB ILE A 48 -2.188 -1.306 9.095 1.00 0.00 C ATOM 804 CG1 ILE A 48 -3.285 -2.271 8.548 1.00 0.00 C ATOM 805 CG2 ILE A 48 -2.541 0.150 8.683 1.00 0.00 C ATOM 806 CD1 ILE A 48 -4.623 -2.223 9.312 1.00 0.00 C ATOM 0 H ILE A 48 -0.491 -3.185 10.147 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.707 -1.632 7.583 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.191 -1.403 10.181 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.471 -2.032 7.501 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.901 -3.291 8.579 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.562 0.377 8.989 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.854 0.842 9.169 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.455 0.253 7.601 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.324 -2.926 8.862 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.457 -2.494 10.355 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.036 -1.215 9.260 1.00 0.00 H new ATOM 818 N THR A 49 1.131 -0.039 8.369 1.00 0.00 N ATOM 819 CA THR A 49 2.027 1.083 8.773 1.00 0.00 C ATOM 820 C THR A 49 1.292 2.438 8.538 1.00 0.00 C ATOM 821 O THR A 49 1.066 2.848 7.395 1.00 0.00 O ATOM 822 CB THR A 49 3.403 0.994 8.045 1.00 0.00 C ATOM 823 OG1 THR A 49 4.062 -0.227 8.368 1.00 0.00 O ATOM 824 CG2 THR A 49 4.402 2.100 8.436 1.00 0.00 C ATOM 0 H THR A 49 1.169 -0.261 7.374 1.00 0.00 H new ATOM 0 HA THR A 49 2.254 1.012 9.837 1.00 0.00 H new ATOM 0 HB THR A 49 3.148 1.086 6.989 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.923 -0.267 7.902 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.332 1.963 7.884 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.978 3.075 8.196 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.604 2.046 9.506 1.00 0.00 H new ATOM 832 N ILE A 50 0.951 3.143 9.630 1.00 0.00 N ATOM 833 CA ILE A 50 0.370 4.517 9.563 1.00 0.00 C ATOM 834 C ILE A 50 1.499 5.553 9.873 1.00 0.00 C ATOM 835 O ILE A 50 1.894 5.737 11.029 1.00 0.00 O ATOM 836 CB ILE A 50 -0.968 4.573 10.390 1.00 0.00 C ATOM 837 CG1 ILE A 50 -2.150 4.047 9.518 1.00 0.00 C ATOM 838 CG2 ILE A 50 -1.335 5.986 10.908 1.00 0.00 C ATOM 839 CD1 ILE A 50 -3.417 3.590 10.257 1.00 0.00 C ATOM 0 H ILE A 50 1.064 2.791 10.581 1.00 0.00 H new ATOM 0 HA ILE A 50 0.032 4.804 8.567 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.800 3.944 11.264 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.432 4.835 8.820 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.785 3.210 8.923 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.269 5.937 11.467 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.541 6.352 11.559 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.453 6.664 10.063 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.157 3.249 9.533 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.168 2.773 10.934 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.825 4.423 10.829 1.00 0.00 H new ATOM 851 N SER A 51 2.022 6.225 8.829 1.00 0.00 N ATOM 852 CA SER A 51 3.143 7.197 8.980 1.00 0.00 C ATOM 853 C SER A 51 2.628 8.648 9.224 1.00 0.00 C ATOM 854 O SER A 51 2.154 9.299 8.285 1.00 0.00 O ATOM 855 CB SER A 51 4.087 7.095 7.759 1.00 0.00 C ATOM 856 OG SER A 51 3.539 7.734 6.608 1.00 0.00 O ATOM 0 H SER A 51 1.692 6.119 7.870 1.00 0.00 H new ATOM 0 HA SER A 51 3.715 6.938 9.871 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.047 7.549 8.004 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.279 6.046 7.535 1.00 0.00 H new ATOM 0 HG SER A 51 2.837 8.360 6.884 1.00 0.00 H new ATOM 862 N ALA A 52 2.727 9.129 10.474 1.00 0.00 N ATOM 863 CA ALA A 52 2.170 10.444 10.885 1.00 0.00 C ATOM 864 C ALA A 52 3.204 11.618 10.926 1.00 0.00 C ATOM 865 O ALA A 52 4.426 11.432 10.866 1.00 0.00 O ATOM 866 CB ALA A 52 1.537 10.171 12.267 1.00 0.00 C ATOM 0 H ALA A 52 3.191 8.626 11.230 1.00 0.00 H new ATOM 0 HA ALA A 52 1.453 10.801 10.146 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.097 11.090 12.654 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.762 9.411 12.168 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.305 9.819 12.956 1.00 0.00 H new ATOM 872 N GLU A 53 2.688 12.849 11.074 1.00 0.00 N ATOM 873 CA GLU A 53 3.526 14.084 11.158 1.00 0.00 C ATOM 874 C GLU A 53 4.239 14.366 12.525 1.00 0.00 C ATOM 875 O GLU A 53 5.303 14.990 12.530 1.00 0.00 O ATOM 876 CB GLU A 53 2.666 15.314 10.744 1.00 0.00 C ATOM 877 CG GLU A 53 2.184 15.302 9.274 1.00 0.00 C ATOM 878 CD GLU A 53 1.526 16.578 8.791 1.00 0.00 C ATOM 879 OE1 GLU A 53 2.248 17.510 8.374 1.00 0.00 O ATOM 880 OE2 GLU A 53 0.283 16.644 8.716 1.00 0.00 O ATOM 0 H GLU A 53 1.686 13.029 11.140 1.00 0.00 H new ATOM 0 HA GLU A 53 4.351 13.904 10.469 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.795 15.367 11.397 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.247 16.220 10.914 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.039 15.089 8.632 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.479 14.480 9.148 1.00 0.00 H new ATOM 887 N ASN A 54 3.644 14.003 13.676 1.00 0.00 N ATOM 888 CA ASN A 54 4.178 14.333 15.032 1.00 0.00 C ATOM 889 C ASN A 54 4.011 13.131 16.016 1.00 0.00 C ATOM 890 O ASN A 54 3.129 12.280 15.860 1.00 0.00 O ATOM 891 CB ASN A 54 3.433 15.595 15.575 1.00 0.00 C ATOM 892 CG ASN A 54 4.037 16.981 15.309 1.00 0.00 C ATOM 893 OD1 ASN A 54 4.151 17.807 16.208 1.00 0.00 O ATOM 894 ND2 ASN A 54 4.422 17.324 14.106 1.00 0.00 N ATOM 0 H ASN A 54 2.775 13.470 13.703 1.00 0.00 H new ATOM 0 HA ASN A 54 5.245 14.540 14.953 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.426 15.588 15.159 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.333 15.480 16.654 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.803 18.255 13.939 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.341 16.660 13.336 1.00 0.00 H new ATOM 901 N ASP A 55 4.825 13.116 17.085 1.00 0.00 N ATOM 902 CA ASP A 55 4.805 12.044 18.127 1.00 0.00 C ATOM 903 C ASP A 55 3.440 11.858 18.888 1.00 0.00 C ATOM 904 O ASP A 55 2.937 10.733 18.961 1.00 0.00 O ATOM 905 CB ASP A 55 6.000 12.283 19.094 1.00 0.00 C ATOM 906 CG ASP A 55 7.396 12.260 18.459 1.00 0.00 C ATOM 907 OD1 ASP A 55 7.751 13.243 17.772 1.00 0.00 O ATOM 908 OD2 ASP A 55 8.128 11.266 18.640 1.00 0.00 O ATOM 0 H ASP A 55 5.520 13.841 17.262 1.00 0.00 H new ATOM 0 HA ASP A 55 4.914 11.091 17.610 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.860 13.248 19.580 1.00 0.00 H new ATOM 0 HB3 ASP A 55 5.966 11.524 19.876 1.00 0.00 H new ATOM 913 N GLU A 56 2.795 12.943 19.380 1.00 0.00 N ATOM 914 CA GLU A 56 1.373 12.901 19.850 1.00 0.00 C ATOM 915 C GLU A 56 0.315 12.471 18.762 1.00 0.00 C ATOM 916 O GLU A 56 -0.554 11.658 19.073 1.00 0.00 O ATOM 917 CB GLU A 56 1.003 14.224 20.588 1.00 0.00 C ATOM 918 CG GLU A 56 1.452 14.326 22.083 1.00 0.00 C ATOM 919 CD GLU A 56 0.339 14.459 23.124 1.00 0.00 C ATOM 920 OE1 GLU A 56 -0.516 13.553 23.229 1.00 0.00 O ATOM 921 OE2 GLU A 56 0.337 15.461 23.869 1.00 0.00 O ATOM 0 H GLU A 56 3.230 13.862 19.465 1.00 0.00 H new ATOM 0 HA GLU A 56 1.317 12.083 20.568 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.443 15.057 20.040 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.079 14.350 20.545 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.040 13.440 22.324 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.116 15.185 22.182 1.00 0.00 H new ATOM 928 N GLN A 57 0.413 12.933 17.496 1.00 0.00 N ATOM 929 CA GLN A 57 -0.410 12.403 16.356 1.00 0.00 C ATOM 930 C GLN A 57 -0.224 10.876 16.034 1.00 0.00 C ATOM 931 O GLN A 57 -1.214 10.174 15.808 1.00 0.00 O ATOM 932 CB GLN A 57 -0.158 13.277 15.088 1.00 0.00 C ATOM 933 CG GLN A 57 -0.650 14.751 15.140 1.00 0.00 C ATOM 934 CD GLN A 57 -2.171 14.935 15.109 1.00 0.00 C ATOM 935 OE1 GLN A 57 -2.848 14.917 16.129 1.00 0.00 O ATOM 936 NE2 GLN A 57 -2.763 15.120 13.951 1.00 0.00 N ATOM 0 H GLN A 57 1.055 13.677 17.224 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.448 12.477 16.681 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.914 13.284 14.888 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.637 12.789 14.239 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.263 15.214 16.048 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.218 15.291 14.297 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.211 15.137 13.093 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.774 15.246 13.910 1.00 0.00 H new ATOM 945 N ALA A 58 1.018 10.350 16.050 1.00 0.00 N ATOM 946 CA ALA A 58 1.291 8.889 16.113 1.00 0.00 C ATOM 947 C ALA A 58 0.671 8.118 17.334 1.00 0.00 C ATOM 948 O ALA A 58 0.042 7.081 17.126 1.00 0.00 O ATOM 949 CB ALA A 58 2.824 8.732 16.039 1.00 0.00 C ATOM 0 H ALA A 58 1.863 10.921 16.020 1.00 0.00 H new ATOM 0 HA ALA A 58 0.783 8.413 15.274 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.084 7.674 16.081 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.189 9.158 15.104 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.284 9.252 16.879 1.00 0.00 H new ATOM 955 N LYS A 59 0.796 8.629 18.577 1.00 0.00 N ATOM 956 CA LYS A 59 0.007 8.158 19.761 1.00 0.00 C ATOM 957 C LYS A 59 -1.562 8.191 19.604 1.00 0.00 C ATOM 958 O LYS A 59 -2.210 7.170 19.851 1.00 0.00 O ATOM 959 CB LYS A 59 0.610 8.885 21.005 1.00 0.00 C ATOM 960 CG LYS A 59 -0.241 8.978 22.299 1.00 0.00 C ATOM 961 CD LYS A 59 -0.961 10.337 22.397 1.00 0.00 C ATOM 962 CE LYS A 59 -1.893 10.437 23.612 1.00 0.00 C ATOM 963 NZ LYS A 59 -2.450 11.811 23.635 1.00 0.00 N ATOM 0 H LYS A 59 1.446 9.383 18.800 1.00 0.00 H new ATOM 0 HA LYS A 59 0.118 7.081 19.886 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.544 8.385 21.259 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.864 9.901 20.703 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.975 8.173 22.313 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.400 8.840 23.170 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.218 11.132 22.450 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.540 10.502 21.488 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.693 9.700 23.543 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.347 10.229 24.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.127 11.898 24.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.679 12.496 23.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.935 12.004 22.736 1.00 0.00 H new ATOM 977 N GLU A 60 -2.161 9.309 19.155 1.00 0.00 N ATOM 978 CA GLU A 60 -3.611 9.385 18.792 1.00 0.00 C ATOM 979 C GLU A 60 -4.073 8.373 17.680 1.00 0.00 C ATOM 980 O GLU A 60 -5.111 7.723 17.835 1.00 0.00 O ATOM 981 CB GLU A 60 -3.985 10.845 18.403 1.00 0.00 C ATOM 982 CG GLU A 60 -3.876 11.947 19.493 1.00 0.00 C ATOM 983 CD GLU A 60 -4.786 11.818 20.704 1.00 0.00 C ATOM 984 OE1 GLU A 60 -6.002 11.581 20.544 1.00 0.00 O ATOM 985 OE2 GLU A 60 -4.283 12.005 21.830 1.00 0.00 O ATOM 0 H GLU A 60 -1.665 10.191 19.029 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.155 9.080 19.686 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.350 11.140 17.567 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.012 10.839 18.037 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.845 11.972 19.846 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.075 12.909 19.022 1.00 0.00 H new ATOM 992 N LEU A 61 -3.293 8.196 16.592 1.00 0.00 N ATOM 993 CA LEU A 61 -3.506 7.104 15.598 1.00 0.00 C ATOM 994 C LEU A 61 -3.289 5.652 16.149 1.00 0.00 C ATOM 995 O LEU A 61 -4.166 4.816 15.934 1.00 0.00 O ATOM 996 CB LEU A 61 -2.680 7.414 14.316 1.00 0.00 C ATOM 997 CG LEU A 61 -3.202 8.620 13.479 1.00 0.00 C ATOM 998 CD1 LEU A 61 -2.108 9.245 12.602 1.00 0.00 C ATOM 999 CD2 LEU A 61 -4.406 8.240 12.596 1.00 0.00 C ATOM 0 H LEU A 61 -2.500 8.799 16.372 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.566 7.097 15.345 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.647 7.610 14.605 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.671 6.527 13.683 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.523 9.360 14.212 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.525 10.081 12.040 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.295 9.603 13.234 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.726 8.496 11.908 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.734 9.113 12.032 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.115 7.450 11.904 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.223 7.888 13.226 1.00 0.00 H new ATOM 1011 N LEU A 62 -2.208 5.344 16.898 1.00 0.00 N ATOM 1012 CA LEU A 62 -2.102 4.103 17.735 1.00 0.00 C ATOM 1013 C LEU A 62 -3.363 3.754 18.600 1.00 0.00 C ATOM 1014 O LEU A 62 -3.902 2.653 18.458 1.00 0.00 O ATOM 1015 CB LEU A 62 -0.782 4.219 18.562 1.00 0.00 C ATOM 1016 CG LEU A 62 -0.484 3.164 19.665 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -0.339 1.734 19.123 1.00 0.00 C ATOM 1018 CD2 LEU A 62 0.787 3.565 20.429 1.00 0.00 C ATOM 0 H LEU A 62 -1.381 5.939 16.948 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.064 3.240 17.070 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.049 4.201 17.857 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.777 5.200 19.036 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.346 3.154 20.332 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.132 1.052 19.947 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.264 1.437 18.629 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.482 1.698 18.407 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.995 2.825 21.202 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.628 3.613 19.737 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.641 4.541 20.891 1.00 0.00 H new ATOM 1030 N GLU A 63 -3.846 4.687 19.440 1.00 0.00 N ATOM 1031 CA GLU A 63 -5.114 4.519 20.214 1.00 0.00 C ATOM 1032 C GLU A 63 -6.412 4.344 19.347 1.00 0.00 C ATOM 1033 O GLU A 63 -7.197 3.426 19.612 1.00 0.00 O ATOM 1034 CB GLU A 63 -5.212 5.672 21.253 1.00 0.00 C ATOM 1035 CG GLU A 63 -4.230 5.542 22.450 1.00 0.00 C ATOM 1036 CD GLU A 63 -4.213 6.707 23.427 1.00 0.00 C ATOM 1037 OE1 GLU A 63 -5.245 6.969 24.078 1.00 0.00 O ATOM 1038 OE2 GLU A 63 -3.145 7.335 23.581 1.00 0.00 O ATOM 0 H GLU A 63 -3.380 5.578 19.609 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.061 3.561 20.732 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.025 6.619 20.746 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.231 5.713 21.638 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.478 4.635 23.001 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.223 5.410 22.055 1.00 0.00 H new ATOM 1045 N LEU A 64 -6.611 5.147 18.281 1.00 0.00 N ATOM 1046 CA LEU A 64 -7.665 4.900 17.254 1.00 0.00 C ATOM 1047 C LEU A 64 -7.612 3.504 16.533 1.00 0.00 C ATOM 1048 O LEU A 64 -8.641 2.821 16.473 1.00 0.00 O ATOM 1049 CB LEU A 64 -7.652 6.108 16.274 1.00 0.00 C ATOM 1050 CG LEU A 64 -8.782 6.177 15.212 1.00 0.00 C ATOM 1051 CD1 LEU A 64 -10.173 6.373 15.844 1.00 0.00 C ATOM 1052 CD2 LEU A 64 -8.510 7.321 14.221 1.00 0.00 C ATOM 0 H LEU A 64 -6.053 5.982 18.101 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.624 4.831 17.767 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.689 7.023 16.866 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.696 6.106 15.750 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.784 5.220 14.691 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.927 6.415 15.058 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.390 5.539 16.511 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.187 7.304 16.410 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.309 7.359 13.481 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.469 8.267 14.760 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.558 7.148 13.718 1.00 0.00 H new ATOM 1064 N ILE A 65 -6.441 3.057 16.028 1.00 0.00 N ATOM 1065 CA ILE A 65 -6.269 1.678 15.465 1.00 0.00 C ATOM 1066 C ILE A 65 -6.489 0.556 16.547 1.00 0.00 C ATOM 1067 O ILE A 65 -7.256 -0.367 16.278 1.00 0.00 O ATOM 1068 CB ILE A 65 -4.926 1.456 14.675 1.00 0.00 C ATOM 1069 CG1 ILE A 65 -4.472 2.582 13.694 1.00 0.00 C ATOM 1070 CG2 ILE A 65 -4.977 0.134 13.856 1.00 0.00 C ATOM 1071 CD1 ILE A 65 -2.937 2.705 13.588 1.00 0.00 C ATOM 0 H ILE A 65 -5.594 3.624 15.994 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.062 1.591 14.722 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.192 1.440 15.480 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.884 2.383 12.705 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.885 3.534 14.026 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.038 0.002 13.319 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.129 -0.707 14.532 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.800 0.179 13.143 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.683 3.504 12.892 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.522 2.933 14.570 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.521 1.764 13.228 1.00 0.00 H new ATOM 1083 N ALA A 66 -5.878 0.620 17.752 1.00 0.00 N ATOM 1084 CA ALA A 66 -6.191 -0.312 18.874 1.00 0.00 C ATOM 1085 C ALA A 66 -7.703 -0.459 19.280 1.00 0.00 C ATOM 1086 O ALA A 66 -8.187 -1.583 19.431 1.00 0.00 O ATOM 1087 CB ALA A 66 -5.310 0.116 20.063 1.00 0.00 C ATOM 0 H ALA A 66 -5.161 1.309 17.979 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.967 -1.321 18.527 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.503 -0.538 20.913 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.259 0.045 19.781 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.543 1.145 20.337 1.00 0.00 H new ATOM 1093 N ARG A 67 -8.461 0.652 19.370 1.00 0.00 N ATOM 1094 CA ARG A 67 -9.956 0.630 19.427 1.00 0.00 C ATOM 1095 C ARG A 67 -10.684 -0.094 18.228 1.00 0.00 C ATOM 1096 O ARG A 67 -11.617 -0.870 18.460 1.00 0.00 O ATOM 1097 CB ARG A 67 -10.383 2.112 19.618 1.00 0.00 C ATOM 1098 CG ARG A 67 -11.865 2.348 19.992 1.00 0.00 C ATOM 1099 CD ARG A 67 -12.166 3.850 20.149 1.00 0.00 C ATOM 1100 NE ARG A 67 -13.591 4.060 20.523 1.00 0.00 N ATOM 1101 CZ ARG A 67 -14.161 5.250 20.725 1.00 0.00 C ATOM 1102 NH1 ARG A 67 -13.536 6.392 20.558 1.00 0.00 N ATOM 1103 NH2 ARG A 67 -15.404 5.284 21.105 1.00 0.00 N ATOM 0 H ARG A 67 -8.066 1.592 19.406 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.280 0.003 20.257 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.758 2.552 20.395 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.171 2.652 18.695 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -12.509 1.924 19.222 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -12.095 1.829 20.922 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.517 4.279 20.912 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.948 4.370 19.216 1.00 0.00 H new ATOM 0 HE ARG A 67 -14.176 3.232 20.633 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.561 6.401 20.258 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -14.025 7.271 20.728 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -15.919 4.415 21.242 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -15.864 6.180 21.266 1.00 0.00 H new ATOM 1117 N LEU A 68 -10.240 0.112 16.970 1.00 0.00 N ATOM 1118 CA LEU A 68 -10.643 -0.724 15.798 1.00 0.00 C ATOM 1119 C LEU A 68 -10.304 -2.251 15.923 1.00 0.00 C ATOM 1120 O LEU A 68 -11.190 -3.082 15.707 1.00 0.00 O ATOM 1121 CB LEU A 68 -10.038 -0.058 14.539 1.00 0.00 C ATOM 1122 CG LEU A 68 -10.625 -0.528 13.178 1.00 0.00 C ATOM 1123 CD1 LEU A 68 -10.630 0.655 12.208 1.00 0.00 C ATOM 1124 CD2 LEU A 68 -9.842 -1.698 12.550 1.00 0.00 C ATOM 0 H LEU A 68 -9.591 0.861 16.729 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.731 -0.744 15.736 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.175 1.020 14.620 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.964 -0.243 14.534 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.635 -0.891 13.368 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.040 0.338 11.249 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.243 1.458 12.617 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.610 1.013 12.066 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -10.303 -1.978 11.603 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.810 -1.393 12.375 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -9.858 -2.552 13.227 1.00 0.00 H new ATOM 1136 N LEU A 69 -9.061 -2.616 16.305 1.00 0.00 N ATOM 1137 CA LEU A 69 -8.685 -4.013 16.694 1.00 0.00 C ATOM 1138 C LEU A 69 -9.601 -4.703 17.754 1.00 0.00 C ATOM 1139 O LEU A 69 -10.014 -5.845 17.547 1.00 0.00 O ATOM 1140 CB LEU A 69 -7.228 -4.087 17.231 1.00 0.00 C ATOM 1141 CG LEU A 69 -6.060 -3.561 16.370 1.00 0.00 C ATOM 1142 CD1 LEU A 69 -4.759 -3.841 17.136 1.00 0.00 C ATOM 1143 CD2 LEU A 69 -6.035 -4.153 14.953 1.00 0.00 C ATOM 0 H LEU A 69 -8.283 -1.959 16.356 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.807 -4.556 15.757 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.203 -3.545 18.176 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.019 -5.133 17.457 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.186 -2.490 16.212 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.910 -3.481 16.555 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.785 -3.327 18.097 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.657 -4.914 17.301 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.190 -3.741 14.402 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.936 -5.237 15.013 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.962 -3.902 14.437 1.00 0.00 H new ATOM 1155 N GLN A 70 -9.921 -4.010 18.866 1.00 0.00 N ATOM 1156 CA GLN A 70 -10.912 -4.487 19.871 1.00 0.00 C ATOM 1157 C GLN A 70 -12.351 -4.758 19.288 1.00 0.00 C ATOM 1158 O GLN A 70 -12.925 -5.811 19.572 1.00 0.00 O ATOM 1159 CB GLN A 70 -10.962 -3.457 21.037 1.00 0.00 C ATOM 1160 CG GLN A 70 -9.680 -3.328 21.905 1.00 0.00 C ATOM 1161 CD GLN A 70 -9.697 -2.155 22.895 1.00 0.00 C ATOM 1162 OE1 GLN A 70 -10.256 -1.087 22.662 1.00 0.00 O ATOM 1163 NE2 GLN A 70 -9.053 -2.293 24.029 1.00 0.00 N ATOM 0 H GLN A 70 -9.506 -3.108 19.098 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.575 -5.461 20.226 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.189 -2.477 20.617 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.792 -3.723 21.692 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.538 -4.255 22.461 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -8.819 -3.218 21.245 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.581 -3.171 24.244 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.024 -1.522 24.696 1.00 0.00 H new ATOM 1172 N LYS A 71 -12.903 -3.854 18.446 1.00 0.00 N ATOM 1173 CA LYS A 71 -14.137 -4.118 17.642 1.00 0.00 C ATOM 1174 C LYS A 71 -14.048 -5.283 16.591 1.00 0.00 C ATOM 1175 O LYS A 71 -14.993 -6.067 16.482 1.00 0.00 O ATOM 1176 CB LYS A 71 -14.551 -2.774 16.980 1.00 0.00 C ATOM 1177 CG LYS A 71 -15.993 -2.748 16.405 1.00 0.00 C ATOM 1178 CD LYS A 71 -16.268 -1.558 15.455 1.00 0.00 C ATOM 1179 CE LYS A 71 -15.768 -1.709 13.997 1.00 0.00 C ATOM 1180 NZ LYS A 71 -16.518 -2.753 13.240 1.00 0.00 N ATOM 0 H LYS A 71 -12.514 -2.923 18.299 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.897 -4.488 18.330 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -14.455 -1.977 17.717 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.850 -2.550 16.176 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.176 -3.679 15.868 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.703 -2.712 17.232 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.343 -1.382 15.431 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.809 -0.667 15.883 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.864 -0.753 13.483 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.708 -1.962 14.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.168 -2.791 12.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.378 -3.678 13.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.531 -2.519 13.236 1.00 0.00 H new ATOM 1194 N LEU A 72 -12.953 -5.397 15.814 1.00 0.00 N ATOM 1195 CA LEU A 72 -12.680 -6.584 14.946 1.00 0.00 C ATOM 1196 C LEU A 72 -12.497 -7.954 15.697 1.00 0.00 C ATOM 1197 O LEU A 72 -13.056 -8.962 15.258 1.00 0.00 O ATOM 1198 CB LEU A 72 -11.460 -6.241 14.030 1.00 0.00 C ATOM 1199 CG LEU A 72 -11.720 -5.650 12.617 1.00 0.00 C ATOM 1200 CD1 LEU A 72 -12.269 -6.705 11.642 1.00 0.00 C ATOM 1201 CD2 LEU A 72 -12.621 -4.404 12.602 1.00 0.00 C ATOM 0 H LEU A 72 -12.230 -4.679 15.763 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.577 -6.762 14.353 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.831 -5.534 14.571 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.878 -7.154 13.903 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.736 -5.325 12.280 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.436 -6.247 10.667 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.550 -7.518 11.543 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.211 -7.098 12.024 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.748 -4.059 11.576 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -13.594 -4.654 13.024 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.160 -3.614 13.195 1.00 0.00 H new ATOM 1213 N GLY A 73 -11.721 -7.999 16.795 1.00 0.00 N ATOM 1214 CA GLY A 73 -11.567 -9.217 17.642 1.00 0.00 C ATOM 1215 C GLY A 73 -10.307 -10.093 17.439 1.00 0.00 C ATOM 1216 O GLY A 73 -10.391 -11.317 17.594 1.00 0.00 O ATOM 0 H GLY A 73 -11.181 -7.200 17.127 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.589 -8.902 18.685 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.441 -9.848 17.480 1.00 0.00 H new ATOM 1220 N TYR A 74 -9.133 -9.488 17.191 1.00 0.00 N ATOM 1221 CA TYR A 74 -7.861 -10.236 16.954 1.00 0.00 C ATOM 1222 C TYR A 74 -7.244 -10.870 18.249 1.00 0.00 C ATOM 1223 O TYR A 74 -7.671 -10.611 19.382 1.00 0.00 O ATOM 1224 CB TYR A 74 -6.873 -9.311 16.174 1.00 0.00 C ATOM 1225 CG TYR A 74 -7.214 -9.137 14.683 1.00 0.00 C ATOM 1226 CD1 TYR A 74 -6.834 -10.118 13.754 1.00 0.00 C ATOM 1227 CD2 TYR A 74 -7.939 -8.027 14.246 1.00 0.00 C ATOM 1228 CE1 TYR A 74 -7.199 -9.991 12.416 1.00 0.00 C ATOM 1229 CE2 TYR A 74 -8.298 -7.900 12.905 1.00 0.00 C ATOM 1230 CZ TYR A 74 -7.941 -8.896 11.994 1.00 0.00 C ATOM 1231 OH TYR A 74 -8.360 -8.811 10.695 1.00 0.00 O ATOM 0 H TYR A 74 -9.026 -8.475 17.147 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.083 -11.108 16.339 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.860 -8.330 16.649 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.866 -9.720 16.259 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.258 -10.972 14.077 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.224 -7.261 14.952 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.904 -10.747 11.704 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.851 -7.034 12.572 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.868 -7.982 10.569 1.00 0.00 H new ATOM 1241 N LYS A 75 -6.291 -11.797 18.056 1.00 0.00 N ATOM 1242 CA LYS A 75 -5.654 -12.562 19.172 1.00 0.00 C ATOM 1243 C LYS A 75 -4.162 -12.159 19.373 1.00 0.00 C ATOM 1244 O LYS A 75 -3.806 -11.703 20.463 1.00 0.00 O ATOM 1245 CB LYS A 75 -5.842 -14.095 18.954 1.00 0.00 C ATOM 1246 CG LYS A 75 -7.293 -14.631 18.859 1.00 0.00 C ATOM 1247 CD LYS A 75 -8.089 -14.589 20.188 1.00 0.00 C ATOM 1248 CE LYS A 75 -9.565 -14.165 20.046 1.00 0.00 C ATOM 1249 NZ LYS A 75 -9.691 -12.680 19.966 1.00 0.00 N ATOM 0 H LYS A 75 -5.934 -12.045 17.133 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.159 -12.301 20.102 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.321 -14.371 18.037 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.344 -14.615 19.773 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.832 -14.050 18.110 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.263 -15.661 18.502 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.052 -15.576 20.648 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.592 -13.900 20.871 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.993 -14.618 19.152 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.137 -14.537 20.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.291 -12.340 20.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.748 -12.247 20.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.122 -12.417 19.057 1.00 0.00 H new ATOM 1263 N ASP A 76 -3.300 -12.325 18.350 1.00 0.00 N ATOM 1264 CA ASP A 76 -1.866 -11.955 18.434 1.00 0.00 C ATOM 1265 C ASP A 76 -1.710 -10.472 17.967 1.00 0.00 C ATOM 1266 O ASP A 76 -1.872 -10.175 16.778 1.00 0.00 O ATOM 1267 CB ASP A 76 -1.091 -12.951 17.536 1.00 0.00 C ATOM 1268 CG ASP A 76 0.381 -13.107 17.911 1.00 0.00 C ATOM 1269 OD1 ASP A 76 0.676 -13.811 18.896 1.00 0.00 O ATOM 1270 OD2 ASP A 76 1.252 -12.524 17.228 1.00 0.00 O ATOM 0 H ASP A 76 -3.571 -12.716 17.448 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.469 -12.016 19.447 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.575 -13.926 17.590 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.159 -12.619 16.500 1.00 0.00 H new ATOM 1275 N ILE A 77 -1.475 -9.540 18.906 1.00 0.00 N ATOM 1276 CA ILE A 77 -1.492 -8.074 18.613 1.00 0.00 C ATOM 1277 C ILE A 77 -0.064 -7.500 18.922 1.00 0.00 C ATOM 1278 O ILE A 77 0.320 -7.361 20.088 1.00 0.00 O ATOM 1279 CB ILE A 77 -2.707 -7.376 19.341 1.00 0.00 C ATOM 1280 CG1 ILE A 77 -4.108 -7.841 18.803 1.00 0.00 C ATOM 1281 CG2 ILE A 77 -2.607 -5.828 19.285 1.00 0.00 C ATOM 1282 CD1 ILE A 77 -5.359 -7.418 19.608 1.00 0.00 C ATOM 0 H ILE A 77 -1.269 -9.764 19.880 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.679 -7.861 17.560 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.635 -7.697 20.380 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.219 -7.465 17.786 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.100 -8.929 18.741 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.463 -5.389 19.798 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.687 -5.505 19.773 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.600 -5.501 18.245 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -6.253 -7.808 19.122 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.293 -7.817 20.620 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.414 -6.330 19.650 1.00 0.00 H new ATOM 1294 N ASN A 78 0.709 -7.152 17.872 1.00 0.00 N ATOM 1295 CA ASN A 78 2.118 -6.683 18.001 1.00 0.00 C ATOM 1296 C ASN A 78 2.285 -5.208 17.487 1.00 0.00 C ATOM 1297 O ASN A 78 1.955 -4.884 16.341 1.00 0.00 O ATOM 1298 CB ASN A 78 2.999 -7.715 17.238 1.00 0.00 C ATOM 1299 CG ASN A 78 4.510 -7.601 17.466 1.00 0.00 C ATOM 1300 OD1 ASN A 78 4.990 -7.233 18.534 1.00 0.00 O ATOM 1301 ND2 ASN A 78 5.324 -7.946 16.497 1.00 0.00 N ATOM 0 H ASN A 78 0.380 -7.186 16.907 1.00 0.00 H new ATOM 0 HA ASN A 78 2.433 -6.638 19.044 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.682 -8.718 17.525 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.803 -7.613 16.171 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.333 -7.905 16.640 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.948 -8.255 15.601 1.00 0.00 H new ATOM 1308 N VAL A 79 2.821 -4.314 18.339 1.00 0.00 N ATOM 1309 CA VAL A 79 2.991 -2.859 18.016 1.00 0.00 C ATOM 1310 C VAL A 79 4.507 -2.556 17.760 1.00 0.00 C ATOM 1311 O VAL A 79 5.361 -2.858 18.603 1.00 0.00 O ATOM 1312 CB VAL A 79 2.391 -1.974 19.172 1.00 0.00 C ATOM 1313 CG1 VAL A 79 2.619 -0.454 18.989 1.00 0.00 C ATOM 1314 CG2 VAL A 79 0.869 -2.170 19.380 1.00 0.00 C ATOM 0 H VAL A 79 3.152 -4.565 19.271 1.00 0.00 H new ATOM 0 HA VAL A 79 2.444 -2.611 17.107 1.00 0.00 H new ATOM 0 HB VAL A 79 2.942 -2.330 20.043 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.176 0.084 19.827 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.689 -0.249 18.951 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.153 -0.125 18.060 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.527 -1.528 20.192 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.340 -1.909 18.464 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.667 -3.211 19.631 1.00 0.00 H new ATOM 1324 N ARG A 80 4.847 -1.916 16.626 1.00 0.00 N ATOM 1325 CA ARG A 80 6.195 -1.305 16.414 1.00 0.00 C ATOM 1326 C ARG A 80 6.033 0.168 15.918 1.00 0.00 C ATOM 1327 O ARG A 80 5.733 0.402 14.744 1.00 0.00 O ATOM 1328 CB ARG A 80 7.067 -2.163 15.444 1.00 0.00 C ATOM 1329 CG ARG A 80 7.887 -3.308 16.089 1.00 0.00 C ATOM 1330 CD ARG A 80 7.130 -4.642 16.250 1.00 0.00 C ATOM 1331 NE ARG A 80 7.936 -5.603 17.056 1.00 0.00 N ATOM 1332 CZ ARG A 80 7.881 -5.738 18.385 1.00 0.00 C ATOM 1333 NH1 ARG A 80 7.155 -4.982 19.173 1.00 0.00 N ATOM 1334 NH2 ARG A 80 8.594 -6.677 18.936 1.00 0.00 N ATOM 0 H ARG A 80 4.214 -1.802 15.835 1.00 0.00 H new ATOM 0 HA ARG A 80 6.728 -1.286 17.365 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.412 -2.595 14.687 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.757 -1.498 14.926 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.776 -3.483 15.484 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.229 -2.981 17.071 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.170 -4.466 16.735 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.918 -5.068 15.269 1.00 0.00 H new ATOM 0 HE ARG A 80 8.584 -6.208 16.551 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.584 -4.234 18.779 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.161 -5.142 20.180 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.173 -7.284 18.356 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.574 -6.806 19.948 1.00 0.00 H new ATOM 1348 N VAL A 81 6.271 1.164 16.795 1.00 0.00 N ATOM 1349 CA VAL A 81 6.277 2.609 16.398 1.00 0.00 C ATOM 1350 C VAL A 81 7.756 3.035 16.111 1.00 0.00 C ATOM 1351 O VAL A 81 8.543 3.225 17.045 1.00 0.00 O ATOM 1352 CB VAL A 81 5.556 3.517 17.457 1.00 0.00 C ATOM 1353 CG1 VAL A 81 5.537 5.013 17.059 1.00 0.00 C ATOM 1354 CG2 VAL A 81 4.084 3.122 17.724 1.00 0.00 C ATOM 0 H VAL A 81 6.463 1.007 17.784 1.00 0.00 H new ATOM 0 HA VAL A 81 5.696 2.746 15.486 1.00 0.00 H new ATOM 0 HB VAL A 81 6.153 3.360 18.355 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.025 5.588 17.831 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.560 5.375 16.955 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.012 5.131 16.111 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.655 3.795 18.466 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.514 3.193 16.797 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.044 2.098 18.097 1.00 0.00 H new ATOM 1364 N ASN A 82 8.132 3.207 14.827 1.00 0.00 N ATOM 1365 CA ASN A 82 9.478 3.735 14.451 1.00 0.00 C ATOM 1366 C ASN A 82 9.420 5.292 14.294 1.00 0.00 C ATOM 1367 O ASN A 82 9.219 5.822 13.196 1.00 0.00 O ATOM 1368 CB ASN A 82 9.980 2.953 13.203 1.00 0.00 C ATOM 1369 CG ASN A 82 11.446 3.208 12.837 1.00 0.00 C ATOM 1370 OD1 ASN A 82 12.355 2.965 13.623 1.00 0.00 O ATOM 1371 ND2 ASN A 82 11.741 3.689 11.653 1.00 0.00 N ATOM 0 H ASN A 82 7.532 2.992 14.030 1.00 0.00 H new ATOM 0 HA ASN A 82 10.218 3.569 15.234 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.844 1.886 13.380 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.355 3.217 12.350 1.00 0.00 H new ATOM 0 HD21 ASN A 82 12.715 3.855 11.398 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.997 3.897 10.987 1.00 0.00 H new ATOM 1378 N GLY A 83 9.548 6.020 15.422 1.00 0.00 N ATOM 1379 CA GLY A 83 9.349 7.496 15.453 1.00 0.00 C ATOM 1380 C GLY A 83 7.873 7.925 15.321 1.00 0.00 C ATOM 1381 O GLY A 83 7.126 7.914 16.301 1.00 0.00 O ATOM 0 H GLY A 83 9.788 5.616 16.327 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.750 7.888 16.387 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.923 7.948 14.645 1.00 0.00 H new ATOM 1385 N THR A 84 7.461 8.241 14.087 1.00 0.00 N ATOM 1386 CA THR A 84 6.013 8.396 13.727 1.00 0.00 C ATOM 1387 C THR A 84 5.425 7.281 12.778 1.00 0.00 C ATOM 1388 O THR A 84 4.234 7.345 12.449 1.00 0.00 O ATOM 1389 CB THR A 84 5.713 9.823 13.176 1.00 0.00 C ATOM 1390 OG1 THR A 84 6.273 10.019 11.882 1.00 0.00 O ATOM 1391 CG2 THR A 84 6.148 11.001 14.062 1.00 0.00 C ATOM 0 H THR A 84 8.099 8.398 13.307 1.00 0.00 H new ATOM 0 HA THR A 84 5.485 8.257 14.670 1.00 0.00 H new ATOM 0 HB THR A 84 4.623 9.837 13.150 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.863 10.805 11.464 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.887 11.940 13.573 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.640 10.939 15.025 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.226 10.961 14.217 1.00 0.00 H new ATOM 1399 N GLU A 85 6.200 6.252 12.361 1.00 0.00 N ATOM 1400 CA GLU A 85 5.696 5.089 11.578 1.00 0.00 C ATOM 1401 C GLU A 85 5.001 4.057 12.519 1.00 0.00 C ATOM 1402 O GLU A 85 5.657 3.226 13.159 1.00 0.00 O ATOM 1403 CB GLU A 85 6.868 4.404 10.830 1.00 0.00 C ATOM 1404 CG GLU A 85 7.607 5.193 9.725 1.00 0.00 C ATOM 1405 CD GLU A 85 8.753 4.386 9.135 1.00 0.00 C ATOM 1406 OE1 GLU A 85 9.833 4.329 9.761 1.00 0.00 O ATOM 1407 OE2 GLU A 85 8.569 3.787 8.055 1.00 0.00 O ATOM 0 H GLU A 85 7.200 6.201 12.558 1.00 0.00 H new ATOM 0 HA GLU A 85 4.968 5.451 10.853 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.607 4.108 11.575 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.483 3.488 10.381 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.905 5.460 8.936 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.992 6.125 10.138 1.00 0.00 H new ATOM 1414 N VAL A 86 3.665 4.110 12.600 1.00 0.00 N ATOM 1415 CA VAL A 86 2.875 3.266 13.541 1.00 0.00 C ATOM 1416 C VAL A 86 2.564 1.905 12.840 1.00 0.00 C ATOM 1417 O VAL A 86 1.540 1.774 12.159 1.00 0.00 O ATOM 1418 CB VAL A 86 1.599 4.049 14.020 1.00 0.00 C ATOM 1419 CG1 VAL A 86 0.716 3.249 15.003 1.00 0.00 C ATOM 1420 CG2 VAL A 86 1.892 5.402 14.707 1.00 0.00 C ATOM 0 H VAL A 86 3.094 4.730 12.025 1.00 0.00 H new ATOM 0 HA VAL A 86 3.437 3.040 14.447 1.00 0.00 H new ATOM 0 HB VAL A 86 1.078 4.220 13.078 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.146 3.851 15.291 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.374 2.333 14.522 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.296 2.998 15.891 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.953 5.870 15.003 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.509 5.236 15.590 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.420 6.056 14.013 1.00 0.00 H new ATOM 1430 N LYS A 87 3.435 0.890 13.014 1.00 0.00 N ATOM 1431 CA LYS A 87 3.167 -0.480 12.507 1.00 0.00 C ATOM 1432 C LYS A 87 2.275 -1.268 13.513 1.00 0.00 C ATOM 1433 O LYS A 87 2.722 -1.680 14.591 1.00 0.00 O ATOM 1434 CB LYS A 87 4.479 -1.242 12.174 1.00 0.00 C ATOM 1435 CG LYS A 87 4.213 -2.493 11.296 1.00 0.00 C ATOM 1436 CD LYS A 87 5.349 -3.537 11.254 1.00 0.00 C ATOM 1437 CE LYS A 87 4.932 -4.707 10.343 1.00 0.00 C ATOM 1438 NZ LYS A 87 5.868 -5.857 10.398 1.00 0.00 N ATOM 0 H LYS A 87 4.327 0.988 13.499 1.00 0.00 H new ATOM 0 HA LYS A 87 2.618 -0.391 11.570 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.166 -0.573 11.655 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.968 -1.545 13.100 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.309 -2.982 11.658 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.011 -2.162 10.277 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.265 -3.079 10.881 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.561 -3.901 12.259 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.936 -5.044 10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.864 -4.351 9.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.619 -6.543 9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.840 -5.521 10.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.801 -6.315 11.329 1.00 0.00 H new ATOM 1452 N ILE A 88 1.024 -1.514 13.107 1.00 0.00 N ATOM 1453 CA ILE A 88 0.084 -2.394 13.853 1.00 0.00 C ATOM 1454 C ILE A 88 0.048 -3.772 13.111 1.00 0.00 C ATOM 1455 O ILE A 88 -0.535 -3.901 12.029 1.00 0.00 O ATOM 1456 CB ILE A 88 -1.297 -1.671 14.012 1.00 0.00 C ATOM 1457 CG1 ILE A 88 -1.235 -0.269 14.694 1.00 0.00 C ATOM 1458 CG2 ILE A 88 -2.325 -2.539 14.761 1.00 0.00 C ATOM 1459 CD1 ILE A 88 -0.591 -0.177 16.087 1.00 0.00 C ATOM 0 H ILE A 88 0.625 -1.116 12.257 1.00 0.00 H new ATOM 0 HA ILE A 88 0.403 -2.596 14.876 1.00 0.00 H new ATOM 0 HB ILE A 88 -1.615 -1.512 12.982 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.692 0.403 14.029 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.254 0.112 14.770 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.266 -1.996 14.847 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.489 -3.465 14.210 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.948 -2.771 15.757 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.619 0.856 16.433 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.141 -0.809 16.784 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.444 -0.513 16.032 1.00 0.00 H new ATOM 1471 N GLU A 89 0.718 -4.776 13.700 1.00 0.00 N ATOM 1472 CA GLU A 89 0.895 -6.129 13.109 1.00 0.00 C ATOM 1473 C GLU A 89 -0.004 -7.154 13.867 1.00 0.00 C ATOM 1474 O GLU A 89 0.315 -7.549 14.996 1.00 0.00 O ATOM 1475 CB GLU A 89 2.416 -6.427 13.227 1.00 0.00 C ATOM 1476 CG GLU A 89 2.909 -7.751 12.590 1.00 0.00 C ATOM 1477 CD GLU A 89 4.355 -8.046 12.975 1.00 0.00 C ATOM 1478 OE1 GLU A 89 5.275 -7.487 12.341 1.00 0.00 O ATOM 1479 OE2 GLU A 89 4.574 -8.843 13.914 1.00 0.00 O ATOM 0 H GLU A 89 1.161 -4.678 14.613 1.00 0.00 H new ATOM 0 HA GLU A 89 0.587 -6.195 12.066 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.962 -5.603 12.769 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.682 -6.437 14.284 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.270 -8.573 12.913 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.825 -7.689 11.505 1.00 0.00 H new ATOM 1486 N VAL A 90 -1.136 -7.573 13.267 1.00 0.00 N ATOM 1487 CA VAL A 90 -2.134 -8.447 13.964 1.00 0.00 C ATOM 1488 C VAL A 90 -2.426 -9.777 13.204 1.00 0.00 C ATOM 1489 O VAL A 90 -2.638 -9.780 11.988 1.00 0.00 O ATOM 1490 CB VAL A 90 -3.452 -7.713 14.389 1.00 0.00 C ATOM 1491 CG1 VAL A 90 -3.211 -6.476 15.269 1.00 0.00 C ATOM 1492 CG2 VAL A 90 -4.413 -7.290 13.262 1.00 0.00 C ATOM 0 H VAL A 90 -1.392 -7.330 12.310 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.638 -8.719 14.896 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.940 -8.510 14.950 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.167 -6.019 15.524 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.696 -6.774 16.182 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.599 -5.756 14.725 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.283 -6.794 13.693 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.902 -6.604 12.586 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.735 -8.172 12.709 1.00 0.00 H new ATOM 1502 N ARG A 91 -2.503 -10.905 13.935 1.00 0.00 N ATOM 1503 CA ARG A 91 -2.972 -12.209 13.378 1.00 0.00 C ATOM 1504 C ARG A 91 -3.995 -12.940 14.314 1.00 0.00 C ATOM 1505 O ARG A 91 -4.190 -12.611 15.492 1.00 0.00 O ATOM 1506 CB ARG A 91 -1.805 -13.094 12.813 1.00 0.00 C ATOM 1507 CG ARG A 91 -0.541 -13.365 13.664 1.00 0.00 C ATOM 1508 CD ARG A 91 0.555 -12.316 13.447 1.00 0.00 C ATOM 1509 NE ARG A 91 1.496 -12.209 14.591 1.00 0.00 N ATOM 1510 CZ ARG A 91 2.619 -11.506 14.572 1.00 0.00 C ATOM 1511 NH1 ARG A 91 3.147 -11.033 13.479 1.00 0.00 N ATOM 1512 NH2 ARG A 91 3.205 -11.275 15.706 1.00 0.00 N ATOM 0 H ARG A 91 -2.247 -10.949 14.921 1.00 0.00 H new ATOM 0 HA ARG A 91 -3.561 -11.980 12.490 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.232 -14.063 12.554 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.473 -12.633 11.882 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.816 -13.385 14.719 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.148 -14.351 13.419 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.115 -12.566 12.546 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.091 -11.345 13.274 1.00 0.00 H new ATOM 0 HE ARG A 91 1.262 -12.710 15.448 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.693 -11.198 12.581 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.014 -10.498 13.522 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.799 -11.631 16.572 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.071 -10.737 15.732 1.00 0.00 H new ATOM 1526 N VAL A 92 -4.737 -13.904 13.732 1.00 0.00 N ATOM 1527 CA VAL A 92 -5.977 -14.464 14.340 1.00 0.00 C ATOM 1528 C VAL A 92 -5.589 -15.592 15.332 1.00 0.00 C ATOM 1529 O VAL A 92 -5.512 -16.777 15.002 1.00 0.00 O ATOM 1530 CB VAL A 92 -7.003 -14.886 13.226 1.00 0.00 C ATOM 1531 CG1 VAL A 92 -8.332 -15.428 13.807 1.00 0.00 C ATOM 1532 CG2 VAL A 92 -7.386 -13.756 12.236 1.00 0.00 C ATOM 0 H VAL A 92 -4.501 -14.320 12.831 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.502 -13.707 14.923 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.459 -15.664 12.691 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -9.000 -15.703 12.991 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.130 -16.305 14.422 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.803 -14.658 14.418 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.097 -14.139 11.504 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.839 -12.930 12.784 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.491 -13.403 11.723 1.00 0.00 H new