USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 563 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 Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -4.95! C(o=-4.9!,f=-7.7!) USER MOD Single : A 24 ASN : amide:sc= -0.0164 X(o=-0.016,f=-0.38) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0439 USER MOD Single : A 37 THR OG1 : rot -12:sc= 0.788 USER MOD Single : A 40 THR OG1 : rot 90:sc= -0.649 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -7:sc= 0.884! USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -148:sc= -0.127 (180deg=-1.28) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 169:sc= 0.732 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 -12.154 3.114 -9.581 1.00 0.00 N ATOM 14 CA LEU A 2 -11.262 2.261 -8.805 1.00 0.00 C ATOM 15 C LEU A 2 -9.885 2.900 -8.659 1.00 0.00 C ATOM 16 O LEU A 2 -9.593 3.922 -9.279 1.00 0.00 O ATOM 17 CB LEU A 2 -11.126 0.890 -9.472 1.00 0.00 C ATOM 18 CG LEU A 2 -12.293 -0.071 -9.233 1.00 0.00 C ATOM 19 CD1 LEU A 2 -13.065 -0.301 -10.522 1.00 0.00 C ATOM 20 CD2 LEU A 2 -11.788 -1.391 -8.666 1.00 0.00 C ATOM 0 HA LEU A 2 -11.694 2.138 -7.812 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.011 1.036 -10.546 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -10.210 0.419 -9.115 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.968 0.379 -8.505 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.891 -0.987 -10.334 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -13.457 0.649 -10.886 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.401 -0.730 -11.272 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -12.631 -2.063 -8.502 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -11.092 -1.847 -9.370 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -11.279 -1.209 -7.719 1.00 0.00 H new ATOM 32 N VAL A 3 -9.043 2.286 -7.834 1.00 0.00 N ATOM 33 CA VAL A 3 -7.693 2.787 -7.603 1.00 0.00 C ATOM 34 C VAL A 3 -6.701 1.628 -7.506 1.00 0.00 C ATOM 35 O VAL A 3 -7.089 0.482 -7.287 1.00 0.00 O ATOM 36 CB VAL A 3 -7.640 3.661 -6.320 1.00 0.00 C ATOM 37 CG1 VAL A 3 -6.230 3.746 -5.737 1.00 0.00 C ATOM 38 CG2 VAL A 3 -8.176 5.053 -6.618 1.00 0.00 C ATOM 0 H VAL A 3 -9.272 1.439 -7.314 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.412 3.412 -8.451 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.269 3.182 -5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.243 4.367 -4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.882 2.746 -5.479 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.558 4.186 -6.474 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.136 5.660 -5.713 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.569 5.518 -7.394 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.208 4.980 -6.960 1.00 0.00 H new ATOM 48 N GLU A 4 -5.420 1.941 -7.672 1.00 0.00 N ATOM 49 CA GLU A 4 -4.373 0.931 -7.606 1.00 0.00 C ATOM 50 C GLU A 4 -3.122 1.486 -6.930 1.00 0.00 C ATOM 51 O GLU A 4 -2.338 2.203 -7.553 1.00 0.00 O ATOM 52 CB GLU A 4 -4.025 0.429 -9.011 1.00 0.00 C ATOM 53 CG GLU A 4 -5.189 0.476 -9.989 1.00 0.00 C ATOM 54 CD GLU A 4 -5.342 1.834 -10.648 1.00 0.00 C ATOM 55 OE1 GLU A 4 -4.317 2.520 -10.838 1.00 0.00 O ATOM 56 OE2 GLU A 4 -6.488 2.211 -10.971 1.00 0.00 O ATOM 0 H GLU A 4 -5.083 2.887 -7.853 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.748 0.097 -7.012 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.206 1.029 -9.408 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.664 -0.597 -8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.044 -0.283 -10.758 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.111 0.225 -9.464 1.00 0.00 H new ATOM 63 N LEU A 5 -2.934 1.143 -5.659 1.00 0.00 N ATOM 64 CA LEU A 5 -1.768 1.603 -4.911 1.00 0.00 C ATOM 65 C LEU A 5 -0.499 0.992 -5.492 1.00 0.00 C ATOM 66 O LEU A 5 -0.466 -0.197 -5.809 1.00 0.00 O ATOM 67 CB LEU A 5 -1.899 1.234 -3.430 1.00 0.00 C ATOM 68 CG LEU A 5 -2.683 2.231 -2.572 1.00 0.00 C ATOM 69 CD1 LEU A 5 -2.223 3.655 -2.844 1.00 0.00 C ATOM 70 CD2 LEU A 5 -4.176 2.095 -2.826 1.00 0.00 C ATOM 0 H LEU A 5 -3.571 0.550 -5.127 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.710 2.688 -4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.382 0.259 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.899 1.127 -3.010 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.489 2.005 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.793 4.346 -2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.163 3.746 -2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.383 3.894 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.717 2.811 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.386 2.292 -3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.497 1.084 -2.575 1.00 0.00 H new ATOM 82 N LYS A 6 0.540 1.806 -5.648 1.00 0.00 N ATOM 83 CA LYS A 6 1.797 1.324 -6.212 1.00 0.00 C ATOM 84 C LYS A 6 3.001 1.802 -5.402 1.00 0.00 C ATOM 85 O LYS A 6 3.842 2.547 -5.905 1.00 0.00 O ATOM 86 CB LYS A 6 1.943 1.775 -7.670 1.00 0.00 C ATOM 87 CG LYS A 6 0.625 2.073 -8.372 1.00 0.00 C ATOM 88 CD LYS A 6 0.603 1.495 -9.777 1.00 0.00 C ATOM 89 CE LYS A 6 -0.559 2.045 -10.588 1.00 0.00 C ATOM 90 NZ LYS A 6 -0.727 1.321 -11.878 1.00 0.00 N ATOM 0 H LYS A 6 0.538 2.794 -5.395 1.00 0.00 H new ATOM 0 HA LYS A 6 1.771 0.235 -6.172 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.567 2.668 -7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.470 1.000 -8.226 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.200 1.657 -7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.471 3.151 -8.418 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.541 1.726 -10.281 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.529 0.409 -9.724 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.477 1.967 -10.006 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.395 3.104 -10.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.529 1.726 -12.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.140 1.416 -12.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.909 0.314 -11.690 1.00 0.00 H new ATOM 104 N VAL A 7 3.083 1.355 -4.151 1.00 0.00 N ATOM 105 CA VAL A 7 4.189 1.719 -3.270 1.00 0.00 C ATOM 106 C VAL A 7 4.263 3.232 -3.066 1.00 0.00 C ATOM 107 O VAL A 7 4.062 4.004 -4.005 1.00 0.00 O ATOM 108 CB VAL A 7 5.524 1.204 -3.836 1.00 0.00 C ATOM 109 CG1 VAL A 7 6.667 1.499 -2.884 1.00 0.00 C ATOM 110 CG2 VAL A 7 5.438 -0.287 -4.132 1.00 0.00 C ATOM 0 H VAL A 7 2.393 0.737 -3.723 1.00 0.00 H new ATOM 0 HA VAL A 7 4.006 1.250 -2.303 1.00 0.00 H new ATOM 0 HB VAL A 7 5.723 1.729 -4.770 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.599 1.125 -3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.744 2.575 -2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.480 1.009 -1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.391 -0.634 -4.532 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.211 -0.828 -3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.650 -0.468 -4.863 1.00 0.00 H new ATOM 120 N PRO A 8 4.544 3.688 -1.828 1.00 0.00 N ATOM 121 CA PRO A 8 4.627 5.117 -1.526 1.00 0.00 C ATOM 122 C PRO A 8 5.880 5.769 -2.095 1.00 0.00 C ATOM 123 O PRO A 8 6.569 5.195 -2.938 1.00 0.00 O ATOM 124 CB PRO A 8 4.648 5.172 0.000 1.00 0.00 C ATOM 125 CG PRO A 8 5.158 3.839 0.441 1.00 0.00 C ATOM 126 CD PRO A 8 4.790 2.850 -0.638 1.00 0.00 C ATOM 0 HA PRO A 8 3.796 5.663 -1.973 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.293 5.976 0.355 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.652 5.363 0.399 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.238 3.868 0.587 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.715 3.552 1.395 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.594 2.135 -0.814 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.905 2.275 -0.366 1.00 0.00 H new ATOM 134 N ASP A 9 6.156 6.981 -1.630 1.00 0.00 N ATOM 135 CA ASP A 9 7.313 7.738 -2.084 1.00 0.00 C ATOM 136 C ASP A 9 8.448 7.679 -1.068 1.00 0.00 C ATOM 137 O ASP A 9 8.738 8.665 -0.391 1.00 0.00 O ATOM 138 CB ASP A 9 6.907 9.189 -2.321 1.00 0.00 C ATOM 139 CG ASP A 9 6.798 9.529 -3.795 1.00 0.00 C ATOM 140 OD1 ASP A 9 5.820 9.088 -4.435 1.00 0.00 O ATOM 141 OD2 ASP A 9 7.690 10.236 -4.308 1.00 0.00 O ATOM 0 H ASP A 9 5.588 7.463 -0.933 1.00 0.00 H new ATOM 0 HA ASP A 9 7.671 7.295 -3.013 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.949 9.379 -1.836 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.638 9.848 -1.853 1.00 0.00 H new ATOM 146 N ILE A 10 9.091 6.522 -0.966 1.00 0.00 N ATOM 147 CA ILE A 10 10.197 6.350 -0.029 1.00 0.00 C ATOM 148 C ILE A 10 11.392 7.224 -0.407 1.00 0.00 C ATOM 149 O ILE A 10 12.320 7.391 0.385 1.00 0.00 O ATOM 150 CB ILE A 10 10.653 4.878 0.070 1.00 0.00 C ATOM 151 CG1 ILE A 10 10.598 4.191 -1.299 1.00 0.00 C ATOM 152 CG2 ILE A 10 9.793 4.126 1.079 1.00 0.00 C ATOM 153 CD1 ILE A 10 11.190 5.017 -2.422 1.00 0.00 C ATOM 0 H ILE A 10 8.868 5.693 -1.517 1.00 0.00 H new ATOM 0 HA ILE A 10 9.820 6.661 0.945 1.00 0.00 H new ATOM 0 HB ILE A 10 11.688 4.865 0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.130 3.241 -1.240 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.560 3.961 -1.538 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.125 3.090 1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.888 4.595 2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.751 4.155 0.762 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.115 4.465 -3.359 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.644 5.956 -2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.238 5.225 -2.207 1.00 0.00 H new ATOM 197 N GLU A 14 14.449 1.729 -6.068 1.00 0.00 N ATOM 198 CA GLU A 14 13.583 0.568 -6.230 1.00 0.00 C ATOM 199 C GLU A 14 13.947 -0.521 -5.229 1.00 0.00 C ATOM 200 O GLU A 14 14.894 -0.376 -4.456 1.00 0.00 O ATOM 201 CB GLU A 14 13.684 0.024 -7.657 1.00 0.00 C ATOM 202 CG GLU A 14 15.091 -0.399 -8.049 1.00 0.00 C ATOM 203 CD GLU A 14 15.646 0.421 -9.197 1.00 0.00 C ATOM 204 OE1 GLU A 14 15.479 1.658 -9.179 1.00 0.00 O ATOM 205 OE2 GLU A 14 16.251 -0.175 -10.114 1.00 0.00 O ATOM 0 HA GLU A 14 12.556 0.881 -6.043 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.015 -0.830 -7.759 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.336 0.787 -8.353 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.750 -0.302 -7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.085 -1.452 -8.329 1.00 0.00 H new ATOM 212 N ASN A 15 13.187 -1.612 -5.249 1.00 0.00 N ATOM 213 CA ASN A 15 13.421 -2.737 -4.344 1.00 0.00 C ATOM 214 C ASN A 15 13.685 -2.256 -2.918 1.00 0.00 C ATOM 215 O ASN A 15 14.834 -2.087 -2.510 1.00 0.00 O ATOM 216 CB ASN A 15 14.594 -3.593 -4.836 1.00 0.00 C ATOM 217 CG ASN A 15 15.793 -2.765 -5.257 1.00 0.00 C ATOM 218 OD1 ASN A 15 15.987 -2.492 -6.442 1.00 0.00 O ATOM 219 ND2 ASN A 15 16.605 -2.360 -4.287 1.00 0.00 N ATOM 0 H ASN A 15 12.400 -1.743 -5.884 1.00 0.00 H new ATOM 0 HA ASN A 15 12.518 -3.347 -4.337 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.893 -4.280 -4.044 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.265 -4.201 -5.678 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.427 -1.800 -4.511 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.406 -2.609 -3.318 1.00 0.00 H new ATOM 226 N VAL A 16 12.611 -2.038 -2.167 1.00 0.00 N ATOM 227 CA VAL A 16 12.721 -1.579 -0.790 1.00 0.00 C ATOM 228 C VAL A 16 12.017 -2.539 0.160 1.00 0.00 C ATOM 229 O VAL A 16 11.162 -3.322 -0.252 1.00 0.00 O ATOM 230 CB VAL A 16 12.129 -0.165 -0.611 1.00 0.00 C ATOM 231 CG1 VAL A 16 12.801 0.819 -1.554 1.00 0.00 C ATOM 232 CG2 VAL A 16 10.621 -0.178 -0.827 1.00 0.00 C ATOM 0 H VAL A 16 11.653 -2.173 -2.491 1.00 0.00 H new ATOM 0 HA VAL A 16 13.784 -1.545 -0.552 1.00 0.00 H new ATOM 0 HB VAL A 16 12.320 0.158 0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 16 12.370 1.810 -1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 16 13.870 0.854 -1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.646 0.499 -2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.226 0.829 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.401 -0.525 -1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.156 -0.847 -0.104 1.00 0.00 H new ATOM 242 N ASP A 17 12.383 -2.475 1.434 1.00 0.00 N ATOM 243 CA ASP A 17 11.789 -3.342 2.441 1.00 0.00 C ATOM 244 C ASP A 17 10.595 -2.672 3.109 1.00 0.00 C ATOM 245 O ASP A 17 10.694 -1.543 3.593 1.00 0.00 O ATOM 246 CB ASP A 17 12.828 -3.712 3.500 1.00 0.00 C ATOM 247 CG ASP A 17 12.697 -5.150 3.961 1.00 0.00 C ATOM 248 OD1 ASP A 17 11.784 -5.849 3.473 1.00 0.00 O ATOM 249 OD2 ASP A 17 13.507 -5.578 4.811 1.00 0.00 O ATOM 0 H ASP A 17 13.088 -1.832 1.793 1.00 0.00 H new ATOM 0 HA ASP A 17 11.443 -4.246 1.940 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.828 -3.553 3.096 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.721 -3.047 4.357 1.00 0.00 H new ATOM 254 N ILE A 18 9.469 -3.376 3.143 1.00 0.00 N ATOM 255 CA ILE A 18 8.269 -2.852 3.766 1.00 0.00 C ATOM 256 C ILE A 18 8.377 -2.974 5.279 1.00 0.00 C ATOM 257 O ILE A 18 9.194 -3.738 5.795 1.00 0.00 O ATOM 258 CB ILE A 18 7.002 -3.584 3.260 1.00 0.00 C ATOM 259 CG1 ILE A 18 6.738 -3.216 1.802 1.00 0.00 C ATOM 260 CG2 ILE A 18 5.788 -3.245 4.118 1.00 0.00 C ATOM 261 CD1 ILE A 18 6.275 -4.381 0.954 1.00 0.00 C ATOM 0 H ILE A 18 9.367 -4.310 2.746 1.00 0.00 H new ATOM 0 HA ILE A 18 8.177 -1.801 3.493 1.00 0.00 H new ATOM 0 HB ILE A 18 7.175 -4.658 3.335 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.984 -2.430 1.766 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.650 -2.803 1.370 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.914 -3.774 3.738 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.975 -3.547 5.148 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.606 -2.171 4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 18 6.108 -4.043 -0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.037 -5.160 0.959 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.346 -4.780 1.361 1.00 0.00 H new ATOM 273 N ILE A 19 7.560 -2.211 5.981 1.00 0.00 N ATOM 274 CA ILE A 19 7.570 -2.222 7.436 1.00 0.00 C ATOM 275 C ILE A 19 6.160 -2.467 7.977 1.00 0.00 C ATOM 276 O ILE A 19 5.973 -3.218 8.933 1.00 0.00 O ATOM 277 CB ILE A 19 8.183 -0.896 8.006 1.00 0.00 C ATOM 278 CG1 ILE A 19 7.450 -0.406 9.264 1.00 0.00 C ATOM 279 CG2 ILE A 19 8.188 0.201 6.945 1.00 0.00 C ATOM 280 CD1 ILE A 19 7.966 0.916 9.789 1.00 0.00 C ATOM 0 H ILE A 19 6.879 -1.574 5.568 1.00 0.00 H new ATOM 0 HA ILE A 19 8.206 -3.042 7.771 1.00 0.00 H new ATOM 0 HB ILE A 19 9.210 -1.124 8.291 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.388 -0.309 9.041 1.00 0.00 H new ATOM 0 HG13 ILE A 19 7.544 -1.160 10.046 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.618 1.111 7.364 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.784 -0.122 6.091 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.166 0.398 6.621 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.402 1.200 10.678 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.021 0.819 10.044 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.847 1.683 9.024 1.00 0.00 H new ATOM 292 N ALA A 20 5.178 -1.826 7.358 1.00 0.00 N ATOM 293 CA ALA A 20 3.793 -1.971 7.775 1.00 0.00 C ATOM 294 C ALA A 20 2.954 -2.598 6.670 1.00 0.00 C ATOM 295 O ALA A 20 3.314 -2.539 5.495 1.00 0.00 O ATOM 296 CB ALA A 20 3.224 -0.619 8.165 1.00 0.00 C ATOM 0 H ALA A 20 5.317 -1.200 6.565 1.00 0.00 H new ATOM 0 HA ALA A 20 3.762 -2.633 8.640 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.186 -0.737 8.476 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.805 -0.204 8.989 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.272 0.056 7.311 1.00 0.00 H new ATOM 302 N VAL A 21 1.831 -3.193 7.053 1.00 0.00 N ATOM 303 CA VAL A 21 0.943 -3.826 6.089 1.00 0.00 C ATOM 304 C VAL A 21 -0.477 -3.932 6.636 1.00 0.00 C ATOM 305 O VAL A 21 -0.721 -4.625 7.624 1.00 0.00 O ATOM 306 CB VAL A 21 1.442 -5.231 5.703 1.00 0.00 C ATOM 307 CG1 VAL A 21 1.491 -6.136 6.924 1.00 0.00 C ATOM 308 CG2 VAL A 21 0.559 -5.833 4.619 1.00 0.00 C ATOM 0 H VAL A 21 1.515 -3.250 8.021 1.00 0.00 H new ATOM 0 HA VAL A 21 0.939 -3.195 5.200 1.00 0.00 H new ATOM 0 HB VAL A 21 2.453 -5.140 5.307 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.846 -7.124 6.631 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.169 -5.712 7.664 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.493 -6.222 7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.927 -6.826 4.359 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.465 -5.910 4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.582 -5.195 3.735 1.00 0.00 H new ATOM 318 N GLU A 22 -1.409 -3.241 5.987 1.00 0.00 N ATOM 319 CA GLU A 22 -2.805 -3.258 6.409 1.00 0.00 C ATOM 320 C GLU A 22 -3.732 -3.414 5.209 1.00 0.00 C ATOM 321 O GLU A 22 -4.412 -2.469 4.810 1.00 0.00 O ATOM 322 CB GLU A 22 -3.147 -1.973 7.165 1.00 0.00 C ATOM 323 CG GLU A 22 -2.203 -1.676 8.319 1.00 0.00 C ATOM 324 CD GLU A 22 -2.937 -1.408 9.618 1.00 0.00 C ATOM 325 OE1 GLU A 22 -3.847 -2.192 9.959 1.00 0.00 O ATOM 326 OE2 GLU A 22 -2.602 -0.414 10.295 1.00 0.00 O ATOM 0 H GLU A 22 -1.223 -2.663 5.168 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.948 -4.111 7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.130 -1.136 6.468 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.165 -2.047 7.549 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.526 -2.519 8.456 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.589 -0.811 8.068 1.00 0.00 H new ATOM 333 N VAL A 23 -3.754 -4.613 4.638 1.00 0.00 N ATOM 334 CA VAL A 23 -4.598 -4.891 3.483 1.00 0.00 C ATOM 335 C VAL A 23 -5.103 -6.328 3.501 1.00 0.00 C ATOM 336 O VAL A 23 -4.318 -7.275 3.466 1.00 0.00 O ATOM 337 CB VAL A 23 -3.845 -4.637 2.163 1.00 0.00 C ATOM 338 CG1 VAL A 23 -3.901 -3.163 1.794 1.00 0.00 C ATOM 339 CG2 VAL A 23 -2.403 -5.112 2.269 1.00 0.00 C ATOM 0 H VAL A 23 -3.198 -5.407 4.956 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.449 -4.212 3.543 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.333 -5.207 1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.364 -3.001 0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.940 -2.857 1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.439 -2.572 2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.888 -4.924 1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.900 -4.572 3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.387 -6.180 2.485 1.00 0.00 H new ATOM 349 N ASN A 24 -6.421 -6.482 3.556 1.00 0.00 N ATOM 350 CA ASN A 24 -7.042 -7.803 3.580 1.00 0.00 C ATOM 351 C ASN A 24 -7.969 -7.998 2.384 1.00 0.00 C ATOM 352 O ASN A 24 -8.835 -8.872 2.395 1.00 0.00 O ATOM 353 CB ASN A 24 -7.833 -7.981 4.870 1.00 0.00 C ATOM 354 CG ASN A 24 -7.790 -9.406 5.385 1.00 0.00 C ATOM 355 OD1 ASN A 24 -7.602 -10.351 4.619 1.00 0.00 O ATOM 356 ND2 ASN A 24 -7.964 -9.569 6.692 1.00 0.00 N ATOM 0 H ASN A 24 -7.083 -5.706 3.585 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.249 -8.549 3.528 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.435 -7.311 5.632 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.870 -7.691 4.700 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.945 -10.505 7.096 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.117 -8.758 7.291 1.00 0.00 H new ATOM 363 N VAL A 25 -7.785 -7.177 1.358 1.00 0.00 N ATOM 364 CA VAL A 25 -8.603 -7.252 0.156 1.00 0.00 C ATOM 365 C VAL A 25 -10.054 -6.877 0.458 1.00 0.00 C ATOM 366 O VAL A 25 -10.446 -5.721 0.319 1.00 0.00 O ATOM 367 CB VAL A 25 -8.543 -8.660 -0.475 1.00 0.00 C ATOM 368 CG1 VAL A 25 -9.511 -8.782 -1.644 1.00 0.00 C ATOM 369 CG2 VAL A 25 -7.124 -8.979 -0.920 1.00 0.00 C ATOM 0 H VAL A 25 -7.072 -6.448 1.335 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.198 -6.536 -0.559 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.843 -9.383 0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.446 -9.784 -2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.528 -8.601 -1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.254 -8.048 -2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.097 -9.975 -1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.800 -8.245 -1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.457 -8.947 -0.059 1.00 0.00 H new ATOM 379 N GLY A 26 -10.846 -7.853 0.882 1.00 0.00 N ATOM 380 CA GLY A 26 -12.234 -7.591 1.200 1.00 0.00 C ATOM 381 C GLY A 26 -12.378 -6.802 2.482 1.00 0.00 C ATOM 382 O GLY A 26 -12.988 -7.272 3.443 1.00 0.00 O ATOM 0 H GLY A 26 -10.551 -8.821 1.011 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.697 -7.041 0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.770 -8.536 1.293 1.00 0.00 H new ATOM 386 N ASP A 27 -11.810 -5.603 2.499 1.00 0.00 N ATOM 387 CA ASP A 27 -11.875 -4.753 3.674 1.00 0.00 C ATOM 388 C ASP A 27 -12.392 -3.365 3.312 1.00 0.00 C ATOM 389 O ASP A 27 -12.396 -2.980 2.142 1.00 0.00 O ATOM 390 CB ASP A 27 -10.496 -4.644 4.328 1.00 0.00 C ATOM 391 CG ASP A 27 -10.556 -4.787 5.835 1.00 0.00 C ATOM 392 OD1 ASP A 27 -11.318 -5.651 6.320 1.00 0.00 O ATOM 393 OD2 ASP A 27 -9.841 -4.038 6.531 1.00 0.00 O ATOM 0 H ASP A 27 -11.301 -5.200 1.712 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.569 -5.206 4.382 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.842 -5.414 3.919 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.052 -3.681 4.075 1.00 0.00 H new ATOM 398 N THR A 28 -12.826 -2.616 4.321 1.00 0.00 N ATOM 399 CA THR A 28 -13.343 -1.270 4.106 1.00 0.00 C ATOM 400 C THR A 28 -12.216 -0.242 4.137 1.00 0.00 C ATOM 401 O THR A 28 -11.510 -0.111 5.136 1.00 0.00 O ATOM 402 CB THR A 28 -14.390 -0.926 5.166 1.00 0.00 C ATOM 403 OG1 THR A 28 -15.511 -1.785 5.063 1.00 0.00 O ATOM 404 CG2 THR A 28 -14.893 0.499 5.071 1.00 0.00 C ATOM 0 H THR A 28 -12.830 -2.919 5.295 1.00 0.00 H new ATOM 0 HA THR A 28 -13.810 -1.242 3.122 1.00 0.00 H new ATOM 0 HB THR A 28 -13.883 -1.052 6.123 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.168 -1.549 5.751 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.633 0.676 5.851 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.059 1.189 5.198 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.350 0.659 4.095 1.00 0.00 H new ATOM 412 N ILE A 29 -12.054 0.484 3.036 1.00 0.00 N ATOM 413 CA ILE A 29 -11.012 1.499 2.937 1.00 0.00 C ATOM 414 C ILE A 29 -11.613 2.893 2.790 1.00 0.00 C ATOM 415 O ILE A 29 -12.572 3.090 2.044 1.00 0.00 O ATOM 416 CB ILE A 29 -10.074 1.229 1.744 1.00 0.00 C ATOM 417 CG1 ILE A 29 -10.884 1.080 0.456 1.00 0.00 C ATOM 418 CG2 ILE A 29 -9.239 -0.016 1.998 1.00 0.00 C ATOM 419 CD1 ILE A 29 -10.404 1.974 -0.667 1.00 0.00 C ATOM 0 H ILE A 29 -12.631 0.388 2.200 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.436 1.450 3.861 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.399 2.078 1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.840 0.042 0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.930 1.304 0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.582 -0.193 1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.639 0.126 2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.897 -0.874 2.133 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.024 1.815 -1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.474 3.017 -0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.367 1.735 -0.905 1.00 0.00 H new ATOM 431 N ALA A 30 -11.043 3.856 3.506 1.00 0.00 N ATOM 432 CA ALA A 30 -11.522 5.232 3.457 1.00 0.00 C ATOM 433 C ALA A 30 -10.401 6.189 3.066 1.00 0.00 C ATOM 434 O ALA A 30 -9.327 5.763 2.644 1.00 0.00 O ATOM 435 CB ALA A 30 -12.116 5.632 4.799 1.00 0.00 C ATOM 0 H ALA A 30 -10.248 3.709 4.128 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.299 5.294 2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.470 6.662 4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.951 4.973 5.038 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.354 5.548 5.574 1.00 0.00 H new ATOM 441 N VAL A 31 -10.659 7.484 3.208 1.00 0.00 N ATOM 442 CA VAL A 31 -9.671 8.499 2.867 1.00 0.00 C ATOM 443 C VAL A 31 -8.803 8.849 4.071 1.00 0.00 C ATOM 444 O VAL A 31 -8.531 10.021 4.333 1.00 0.00 O ATOM 445 CB VAL A 31 -10.341 9.782 2.343 1.00 0.00 C ATOM 446 CG1 VAL A 31 -9.298 10.754 1.814 1.00 0.00 C ATOM 447 CG2 VAL A 31 -11.366 9.449 1.268 1.00 0.00 C ATOM 0 H VAL A 31 -11.543 7.855 3.557 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.045 8.077 2.081 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.861 10.262 3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.792 11.654 1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.608 11.019 2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.746 10.287 0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.829 10.368 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.872 8.944 0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.132 8.796 1.686 1.00 0.00 H new ATOM 457 N ASP A 32 -8.369 7.826 4.803 1.00 0.00 N ATOM 458 CA ASP A 32 -7.531 8.028 5.980 1.00 0.00 C ATOM 459 C ASP A 32 -7.340 6.724 6.748 1.00 0.00 C ATOM 460 O ASP A 32 -7.844 6.568 7.860 1.00 0.00 O ATOM 461 CB ASP A 32 -8.149 9.084 6.899 1.00 0.00 C ATOM 462 CG ASP A 32 -9.655 8.947 7.004 1.00 0.00 C ATOM 463 OD1 ASP A 32 -10.176 7.858 6.685 1.00 0.00 O ATOM 464 OD2 ASP A 32 -10.314 9.929 7.407 1.00 0.00 O ATOM 0 H ASP A 32 -8.584 6.850 4.601 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.555 8.375 5.640 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.709 9.000 7.893 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.902 10.077 6.524 1.00 0.00 H new ATOM 469 N ASP A 33 -6.606 5.790 6.151 1.00 0.00 N ATOM 470 CA ASP A 33 -6.348 4.502 6.786 1.00 0.00 C ATOM 471 C ASP A 33 -4.975 3.975 6.391 1.00 0.00 C ATOM 472 O ASP A 33 -4.791 3.459 5.289 1.00 0.00 O ATOM 473 CB ASP A 33 -7.430 3.489 6.403 1.00 0.00 C ATOM 474 CG ASP A 33 -7.848 3.608 4.951 1.00 0.00 C ATOM 475 OD1 ASP A 33 -8.222 4.722 4.530 1.00 0.00 O ATOM 476 OD2 ASP A 33 -7.805 2.585 4.235 1.00 0.00 O ATOM 0 H ASP A 33 -6.180 5.900 5.231 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.369 4.645 7.866 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.062 2.480 6.590 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.301 3.634 7.042 1.00 0.00 H new ATOM 481 N THR A 34 -4.012 4.115 7.294 1.00 0.00 N ATOM 482 CA THR A 34 -2.653 3.660 7.037 1.00 0.00 C ATOM 483 C THR A 34 -2.632 2.239 6.492 1.00 0.00 C ATOM 484 O THR A 34 -3.045 1.293 7.165 1.00 0.00 O ATOM 485 CB THR A 34 -1.812 3.741 8.299 1.00 0.00 C ATOM 486 OG1 THR A 34 -2.612 3.583 9.457 1.00 0.00 O ATOM 487 CG2 THR A 34 -1.060 5.046 8.427 1.00 0.00 C ATOM 0 H THR A 34 -4.148 4.540 8.211 1.00 0.00 H new ATOM 0 HA THR A 34 -2.227 4.320 6.282 1.00 0.00 H new ATOM 0 HB THR A 34 -1.090 2.929 8.216 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.046 3.637 10.255 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.478 5.042 9.349 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.390 5.165 7.576 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.769 5.874 8.449 1.00 0.00 H new ATOM 495 N LEU A 35 -2.131 2.100 5.272 1.00 0.00 N ATOM 496 CA LEU A 35 -2.029 0.801 4.626 1.00 0.00 C ATOM 497 C LEU A 35 -0.667 0.188 4.918 1.00 0.00 C ATOM 498 O LEU A 35 -0.547 -1.018 5.134 1.00 0.00 O ATOM 499 CB LEU A 35 -2.233 0.935 3.115 1.00 0.00 C ATOM 500 CG LEU A 35 -3.594 1.490 2.692 1.00 0.00 C ATOM 501 CD1 LEU A 35 -3.788 1.341 1.190 1.00 0.00 C ATOM 502 CD2 LEU A 35 -4.712 0.787 3.447 1.00 0.00 C ATOM 0 H LEU A 35 -1.787 2.877 4.708 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.808 0.150 5.022 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.453 1.583 2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.099 -0.045 2.657 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.626 2.551 2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.762 1.741 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.005 1.888 0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.737 0.286 0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.674 1.194 3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.682 -0.281 3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.583 0.944 4.518 1.00 0.00 H new ATOM 514 N ILE A 36 0.355 1.038 4.939 1.00 0.00 N ATOM 515 CA ILE A 36 1.712 0.593 5.224 1.00 0.00 C ATOM 516 C ILE A 36 2.557 1.738 5.784 1.00 0.00 C ATOM 517 O ILE A 36 2.027 2.740 6.265 1.00 0.00 O ATOM 518 CB ILE A 36 2.401 -0.010 3.970 1.00 0.00 C ATOM 519 CG1 ILE A 36 2.837 1.083 2.985 1.00 0.00 C ATOM 520 CG2 ILE A 36 1.477 -1.002 3.283 1.00 0.00 C ATOM 521 CD1 ILE A 36 1.694 1.702 2.232 1.00 0.00 C ATOM 0 H ILE A 36 0.268 2.039 4.762 1.00 0.00 H new ATOM 0 HA ILE A 36 1.636 -0.193 5.976 1.00 0.00 H new ATOM 0 HB ILE A 36 3.297 -0.533 4.304 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.367 1.863 3.532 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.543 0.658 2.272 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.975 -1.416 2.406 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.230 -1.808 3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.562 -0.495 2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.076 2.466 1.555 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.178 0.933 1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.998 2.157 2.937 1.00 0.00 H new ATOM 533 N THR A 37 3.871 1.578 5.713 1.00 0.00 N ATOM 534 CA THR A 37 4.805 2.586 6.204 1.00 0.00 C ATOM 535 C THR A 37 6.177 2.359 5.592 1.00 0.00 C ATOM 536 O THR A 37 7.203 2.519 6.249 1.00 0.00 O ATOM 537 CB THR A 37 4.889 2.540 7.731 1.00 0.00 C ATOM 538 OG1 THR A 37 3.621 2.789 8.311 1.00 0.00 O ATOM 539 CG2 THR A 37 5.863 3.542 8.311 1.00 0.00 C ATOM 0 H THR A 37 4.319 0.752 5.316 1.00 0.00 H new ATOM 0 HA THR A 37 4.445 3.572 5.911 1.00 0.00 H new ATOM 0 HB THR A 37 5.243 1.537 7.968 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.007 3.122 7.624 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.872 3.454 9.397 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.862 3.345 7.923 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.558 4.550 8.031 1.00 0.00 H new ATOM 547 N LEU A 38 6.163 1.973 4.322 1.00 0.00 N ATOM 548 CA LEU A 38 7.378 1.681 3.556 1.00 0.00 C ATOM 549 C LEU A 38 8.573 2.529 3.983 1.00 0.00 C ATOM 550 O LEU A 38 8.419 3.645 4.479 1.00 0.00 O ATOM 551 CB LEU A 38 7.124 1.881 2.065 1.00 0.00 C ATOM 552 CG LEU A 38 7.972 1.001 1.154 1.00 0.00 C ATOM 553 CD1 LEU A 38 7.308 -0.351 0.954 1.00 0.00 C ATOM 554 CD2 LEU A 38 8.212 1.694 -0.179 1.00 0.00 C ATOM 0 H LEU A 38 5.303 1.852 3.786 1.00 0.00 H new ATOM 0 HA LEU A 38 7.628 0.640 3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.071 1.686 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.310 2.926 1.815 1.00 0.00 H new ATOM 0 HG LEU A 38 8.939 0.835 1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.926 -0.967 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.193 -0.846 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.327 -0.211 0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.819 1.053 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.256 1.890 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.733 2.636 -0.011 1.00 0.00 H new ATOM 566 N GLU A 39 9.766 1.977 3.782 1.00 0.00 N ATOM 567 CA GLU A 39 11.001 2.662 4.137 1.00 0.00 C ATOM 568 C GLU A 39 12.208 1.932 3.557 1.00 0.00 C ATOM 569 O GLU A 39 12.139 0.741 3.250 1.00 0.00 O ATOM 570 CB GLU A 39 11.124 2.762 5.656 1.00 0.00 C ATOM 571 CG GLU A 39 12.479 3.265 6.132 1.00 0.00 C ATOM 572 CD GLU A 39 12.624 3.208 7.640 1.00 0.00 C ATOM 573 OE1 GLU A 39 11.959 2.358 8.269 1.00 0.00 O ATOM 574 OE2 GLU A 39 13.404 4.012 8.193 1.00 0.00 O ATOM 0 H GLU A 39 9.902 1.053 3.373 1.00 0.00 H new ATOM 0 HA GLU A 39 10.974 3.667 3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.348 3.429 6.031 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.938 1.780 6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.266 2.668 5.672 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.620 4.292 5.795 1.00 0.00 H new ATOM 581 N THR A 40 13.311 2.654 3.408 1.00 0.00 N ATOM 582 CA THR A 40 14.535 2.080 2.864 1.00 0.00 C ATOM 583 C THR A 40 15.695 2.270 3.833 1.00 0.00 C ATOM 584 O THR A 40 16.326 1.306 4.266 1.00 0.00 O ATOM 585 CB THR A 40 14.866 2.732 1.523 1.00 0.00 C ATOM 586 OG1 THR A 40 15.526 3.970 1.716 1.00 0.00 O ATOM 587 CG2 THR A 40 13.644 2.990 0.672 1.00 0.00 C ATOM 0 H THR A 40 13.383 3.641 3.657 1.00 0.00 H new ATOM 0 HA THR A 40 14.379 1.012 2.715 1.00 0.00 H new ATOM 0 HB THR A 40 15.509 2.021 1.004 1.00 0.00 H new ATOM 0 HG1 THR A 40 16.494 3.822 1.753 1.00 0.00 H new ATOM 0 HG21 THR A 40 13.946 3.454 -0.267 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.139 2.046 0.465 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.964 3.656 1.204 1.00 0.00 H new ATOM 595 N ASP A 41 15.965 3.524 4.163 1.00 0.00 N ATOM 596 CA ASP A 41 17.046 3.866 5.079 1.00 0.00 C ATOM 597 C ASP A 41 17.211 5.378 5.177 1.00 0.00 C ATOM 598 O ASP A 41 17.552 5.910 6.234 1.00 0.00 O ATOM 599 CB ASP A 41 18.356 3.225 4.617 1.00 0.00 C ATOM 600 CG ASP A 41 18.744 2.027 5.462 1.00 0.00 C ATOM 601 OD1 ASP A 41 18.397 2.009 6.662 1.00 0.00 O ATOM 602 OD2 ASP A 41 19.395 1.107 4.924 1.00 0.00 O ATOM 0 H ASP A 41 15.447 4.328 3.808 1.00 0.00 H new ATOM 0 HA ASP A 41 16.792 3.480 6.066 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.259 2.916 3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 41 19.154 3.967 4.656 1.00 0.00 H new ATOM 607 N LYS A 42 16.965 6.066 4.066 1.00 0.00 N ATOM 608 CA LYS A 42 17.086 7.519 4.023 1.00 0.00 C ATOM 609 C LYS A 42 15.820 8.186 4.556 1.00 0.00 C ATOM 610 O LYS A 42 15.884 9.238 5.193 1.00 0.00 O ATOM 611 CB LYS A 42 17.359 7.987 2.593 1.00 0.00 C ATOM 612 CG LYS A 42 18.838 8.103 2.263 1.00 0.00 C ATOM 613 CD LYS A 42 19.299 6.962 1.371 1.00 0.00 C ATOM 614 CE LYS A 42 20.785 7.057 1.069 1.00 0.00 C ATOM 615 NZ LYS A 42 21.604 6.323 2.072 1.00 0.00 N ATOM 0 H LYS A 42 16.681 5.640 3.184 1.00 0.00 H new ATOM 0 HA LYS A 42 17.923 7.808 4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 42 16.893 7.290 1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 42 16.884 8.956 2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 42 19.028 9.054 1.766 1.00 0.00 H new ATOM 0 HG3 LYS A 42 19.419 8.103 3.185 1.00 0.00 H new ATOM 0 HD2 LYS A 42 19.086 6.010 1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 42 18.735 6.977 0.438 1.00 0.00 H new ATOM 0 HE2 LYS A 42 20.980 6.653 0.076 1.00 0.00 H new ATOM 0 HE3 LYS A 42 21.086 8.105 1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 22.611 6.412 1.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 21.438 6.725 3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 21.336 5.318 2.071 1.00 0.00 H new ATOM 629 N ALA A 43 14.672 7.572 4.288 1.00 0.00 N ATOM 630 CA ALA A 43 13.395 8.112 4.741 1.00 0.00 C ATOM 631 C ALA A 43 12.332 7.023 4.836 1.00 0.00 C ATOM 632 O ALA A 43 12.433 5.981 4.188 1.00 0.00 O ATOM 633 CB ALA A 43 12.930 9.218 3.804 1.00 0.00 C ATOM 0 H ALA A 43 14.600 6.702 3.761 1.00 0.00 H new ATOM 0 HA ALA A 43 13.542 8.525 5.739 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.976 9.613 4.153 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.670 10.018 3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.810 8.816 2.798 1.00 0.00 H new ATOM 639 N THR A 44 11.310 7.276 5.647 1.00 0.00 N ATOM 640 CA THR A 44 10.218 6.326 5.828 1.00 0.00 C ATOM 641 C THR A 44 8.913 6.910 5.300 1.00 0.00 C ATOM 642 O THR A 44 8.458 7.955 5.766 1.00 0.00 O ATOM 643 CB THR A 44 10.067 5.964 7.306 1.00 0.00 C ATOM 644 OG1 THR A 44 9.303 6.942 7.986 1.00 0.00 O ATOM 645 CG2 THR A 44 11.391 5.832 8.026 1.00 0.00 C ATOM 0 H THR A 44 11.215 8.134 6.191 1.00 0.00 H new ATOM 0 HA THR A 44 10.452 5.422 5.266 1.00 0.00 H new ATOM 0 HB THR A 44 9.567 4.996 7.318 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.134 7.700 7.388 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.213 5.574 9.070 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.985 5.049 7.555 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.930 6.778 7.973 1.00 0.00 H new ATOM 653 N MET A 45 8.319 6.238 4.321 1.00 0.00 N ATOM 654 CA MET A 45 7.071 6.705 3.730 1.00 0.00 C ATOM 655 C MET A 45 5.915 5.765 4.044 1.00 0.00 C ATOM 656 O MET A 45 6.074 4.543 4.055 1.00 0.00 O ATOM 657 CB MET A 45 7.222 6.851 2.218 1.00 0.00 C ATOM 658 CG MET A 45 6.775 8.205 1.693 1.00 0.00 C ATOM 659 SD MET A 45 7.850 9.548 2.232 1.00 0.00 S ATOM 660 CE MET A 45 6.701 10.538 3.185 1.00 0.00 C ATOM 0 H MET A 45 8.679 5.372 3.921 1.00 0.00 H new ATOM 0 HA MET A 45 6.845 7.677 4.167 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.266 6.692 1.948 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.643 6.070 1.726 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.752 8.178 0.604 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.757 8.403 2.029 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.218 11.410 3.587 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.883 10.865 2.543 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.302 9.943 4.006 1.00 0.00 H new ATOM 670 N ASP A 46 4.749 6.349 4.287 1.00 0.00 N ATOM 671 CA ASP A 46 3.555 5.578 4.591 1.00 0.00 C ATOM 672 C ASP A 46 2.413 5.972 3.668 1.00 0.00 C ATOM 673 O ASP A 46 2.540 6.899 2.866 1.00 0.00 O ATOM 674 CB ASP A 46 3.145 5.777 6.051 1.00 0.00 C ATOM 675 CG ASP A 46 2.697 7.198 6.337 1.00 0.00 C ATOM 676 OD1 ASP A 46 3.415 8.138 5.940 1.00 0.00 O ATOM 677 OD2 ASP A 46 1.627 7.368 6.959 1.00 0.00 O ATOM 0 H ASP A 46 4.606 7.359 4.279 1.00 0.00 H new ATOM 0 HA ASP A 46 3.782 4.524 4.432 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.337 5.088 6.296 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.985 5.526 6.699 1.00 0.00 H new ATOM 682 N VAL A 47 1.301 5.263 3.782 1.00 0.00 N ATOM 683 CA VAL A 47 0.138 5.535 2.954 1.00 0.00 C ATOM 684 C VAL A 47 -1.153 5.369 3.755 1.00 0.00 C ATOM 685 O VAL A 47 -1.433 4.287 4.267 1.00 0.00 O ATOM 686 CB VAL A 47 0.103 4.599 1.727 1.00 0.00 C ATOM 687 CG1 VAL A 47 -1.218 4.729 0.972 1.00 0.00 C ATOM 688 CG2 VAL A 47 1.279 4.889 0.807 1.00 0.00 C ATOM 0 H VAL A 47 1.180 4.494 4.441 1.00 0.00 H new ATOM 0 HA VAL A 47 0.215 6.567 2.612 1.00 0.00 H new ATOM 0 HB VAL A 47 0.184 3.571 2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.214 4.058 0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.043 4.466 1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.342 5.756 0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.241 4.221 -0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.228 5.923 0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.212 4.731 1.348 1.00 0.00 H new ATOM 698 N PRO A 48 -1.959 6.441 3.866 1.00 0.00 N ATOM 699 CA PRO A 48 -3.218 6.413 4.594 1.00 0.00 C ATOM 700 C PRO A 48 -4.394 6.036 3.697 1.00 0.00 C ATOM 701 O PRO A 48 -5.519 6.487 3.912 1.00 0.00 O ATOM 702 CB PRO A 48 -3.348 7.856 5.067 1.00 0.00 C ATOM 703 CG PRO A 48 -2.716 8.668 3.982 1.00 0.00 C ATOM 704 CD PRO A 48 -1.709 7.774 3.289 1.00 0.00 C ATOM 0 HA PRO A 48 -3.228 5.673 5.394 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.392 8.133 5.212 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.843 8.007 6.021 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.468 9.021 3.276 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.228 9.551 4.395 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.852 7.774 2.208 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.687 8.104 3.475 1.00 0.00 H new ATOM 712 N ALA A 49 -4.126 5.210 2.689 1.00 0.00 N ATOM 713 CA ALA A 49 -5.162 4.777 1.758 1.00 0.00 C ATOM 714 C ALA A 49 -5.959 5.967 1.232 1.00 0.00 C ATOM 715 O ALA A 49 -6.869 6.460 1.899 1.00 0.00 O ATOM 716 CB ALA A 49 -6.087 3.770 2.424 1.00 0.00 C ATOM 0 H ALA A 49 -3.200 4.828 2.497 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.675 4.296 0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.854 3.457 1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.511 2.901 2.742 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.560 4.229 3.292 1.00 0.00 H new ATOM 722 N GLU A 50 -5.613 6.420 0.033 1.00 0.00 N ATOM 723 CA GLU A 50 -6.295 7.549 -0.584 1.00 0.00 C ATOM 724 C GLU A 50 -7.446 7.070 -1.453 1.00 0.00 C ATOM 725 O GLU A 50 -7.419 7.203 -2.677 1.00 0.00 O ATOM 726 CB GLU A 50 -5.310 8.378 -1.414 1.00 0.00 C ATOM 727 CG GLU A 50 -5.379 9.870 -1.131 1.00 0.00 C ATOM 728 CD GLU A 50 -6.748 10.456 -1.414 1.00 0.00 C ATOM 729 OE1 GLU A 50 -7.220 10.334 -2.564 1.00 0.00 O ATOM 730 OE2 GLU A 50 -7.348 11.038 -0.485 1.00 0.00 O ATOM 0 H GLU A 50 -4.863 6.021 -0.531 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.701 8.179 0.207 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.297 8.026 -1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.507 8.208 -2.472 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.120 10.050 -0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.635 10.386 -1.738 1.00 0.00 H new ATOM 737 N VAL A 51 -8.457 6.500 -0.812 1.00 0.00 N ATOM 738 CA VAL A 51 -9.618 5.986 -1.525 1.00 0.00 C ATOM 739 C VAL A 51 -10.734 5.596 -0.563 1.00 0.00 C ATOM 740 O VAL A 51 -10.479 5.230 0.582 1.00 0.00 O ATOM 741 CB VAL A 51 -9.250 4.765 -2.388 1.00 0.00 C ATOM 742 CG1 VAL A 51 -8.860 5.206 -3.787 1.00 0.00 C ATOM 743 CG2 VAL A 51 -8.125 3.964 -1.744 1.00 0.00 C ATOM 0 H VAL A 51 -8.497 6.382 0.200 1.00 0.00 H new ATOM 0 HA VAL A 51 -9.969 6.790 -2.172 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.125 4.119 -2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.602 4.332 -4.385 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.697 5.729 -4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.000 5.874 -3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.883 3.107 -2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.243 4.596 -1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.443 3.615 -0.761 1.00 0.00 H new ATOM 753 N ALA A 52 -11.972 5.683 -1.038 1.00 0.00 N ATOM 754 CA ALA A 52 -13.130 5.347 -0.218 1.00 0.00 C ATOM 755 C ALA A 52 -13.957 4.238 -0.844 1.00 0.00 C ATOM 756 O ALA A 52 -15.021 4.489 -1.406 1.00 0.00 O ATOM 757 CB ALA A 52 -13.995 6.567 -0.017 1.00 0.00 C ATOM 0 H ALA A 52 -12.199 5.983 -1.986 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.760 4.994 0.744 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.857 6.305 0.597 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.417 7.345 0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.337 6.934 -0.985 1.00 0.00 H new ATOM 763 N GLY A 53 -13.472 3.017 -0.741 1.00 0.00 N ATOM 764 CA GLY A 53 -14.191 1.895 -1.307 1.00 0.00 C ATOM 765 C GLY A 53 -13.808 0.568 -0.684 1.00 0.00 C ATOM 766 O GLY A 53 -13.891 0.397 0.532 1.00 0.00 O ATOM 0 H GLY A 53 -12.595 2.779 -0.277 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.261 2.055 -1.178 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.002 1.854 -2.380 1.00 0.00 H new ATOM 770 N VAL A 54 -13.399 -0.379 -1.523 1.00 0.00 N ATOM 771 CA VAL A 54 -13.014 -1.704 -1.056 1.00 0.00 C ATOM 772 C VAL A 54 -11.848 -2.259 -1.868 1.00 0.00 C ATOM 773 O VAL A 54 -11.816 -2.120 -3.089 1.00 0.00 O ATOM 774 CB VAL A 54 -14.199 -2.682 -1.154 1.00 0.00 C ATOM 775 CG1 VAL A 54 -13.796 -4.073 -0.688 1.00 0.00 C ATOM 776 CG2 VAL A 54 -15.383 -2.164 -0.352 1.00 0.00 C ATOM 0 H VAL A 54 -13.326 -0.251 -2.532 1.00 0.00 H new ATOM 0 HA VAL A 54 -12.708 -1.602 -0.015 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.498 -2.754 -2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.651 -4.745 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -12.983 -4.445 -1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -13.465 -4.027 0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.212 -2.867 -0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.096 -2.059 0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -15.691 -1.194 -0.743 1.00 0.00 H new ATOM 786 N VAL A 55 -10.896 -2.895 -1.187 1.00 0.00 N ATOM 787 CA VAL A 55 -9.739 -3.472 -1.867 1.00 0.00 C ATOM 788 C VAL A 55 -10.085 -4.809 -2.503 1.00 0.00 C ATOM 789 O VAL A 55 -10.946 -5.541 -2.020 1.00 0.00 O ATOM 790 CB VAL A 55 -8.538 -3.675 -0.919 1.00 0.00 C ATOM 791 CG1 VAL A 55 -7.346 -4.254 -1.679 1.00 0.00 C ATOM 792 CG2 VAL A 55 -8.161 -2.366 -0.243 1.00 0.00 C ATOM 0 H VAL A 55 -10.902 -3.023 -0.175 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.458 -2.754 -2.638 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.828 -4.386 -0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.509 -4.390 -0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.622 -5.216 -2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.055 -3.569 -2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.312 -2.531 0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.892 -1.630 -1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.008 -1.998 0.336 1.00 0.00 H new ATOM 802 N LYS A 56 -9.389 -5.124 -3.582 1.00 0.00 N ATOM 803 CA LYS A 56 -9.594 -6.382 -4.284 1.00 0.00 C ATOM 804 C LYS A 56 -8.302 -7.166 -4.294 1.00 0.00 C ATOM 805 O LYS A 56 -8.285 -8.374 -4.052 1.00 0.00 O ATOM 806 CB LYS A 56 -10.041 -6.157 -5.735 1.00 0.00 C ATOM 807 CG LYS A 56 -10.351 -4.710 -6.084 1.00 0.00 C ATOM 808 CD LYS A 56 -11.743 -4.310 -5.622 1.00 0.00 C ATOM 809 CE LYS A 56 -12.810 -5.208 -6.226 1.00 0.00 C ATOM 810 NZ LYS A 56 -14.154 -4.569 -6.199 1.00 0.00 N ATOM 0 H LYS A 56 -8.674 -4.524 -3.993 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.378 -6.930 -3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.259 -6.519 -6.403 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.928 -6.761 -5.926 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.611 -4.057 -5.621 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.270 -4.569 -7.162 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.795 -4.362 -4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.937 -3.274 -5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.543 -5.448 -7.255 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.845 -6.150 -5.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.884 -5.301 -6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.206 -3.903 -5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.312 -4.055 -7.089 1.00 0.00 H new ATOM 824 N GLU A 57 -7.219 -6.466 -4.595 1.00 0.00 N ATOM 825 CA GLU A 57 -5.920 -7.089 -4.658 1.00 0.00 C ATOM 826 C GLU A 57 -5.033 -6.664 -3.492 1.00 0.00 C ATOM 827 O GLU A 57 -5.331 -5.701 -2.785 1.00 0.00 O ATOM 828 CB GLU A 57 -5.238 -6.758 -5.987 1.00 0.00 C ATOM 829 CG GLU A 57 -5.430 -7.827 -7.051 1.00 0.00 C ATOM 830 CD GLU A 57 -4.693 -9.112 -6.725 1.00 0.00 C ATOM 831 OE1 GLU A 57 -3.697 -9.051 -5.975 1.00 0.00 O ATOM 832 OE2 GLU A 57 -5.112 -10.178 -7.221 1.00 0.00 O ATOM 0 H GLU A 57 -7.221 -5.466 -4.798 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.067 -8.167 -4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.628 -5.811 -6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.171 -6.617 -5.813 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.494 -8.040 -7.160 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.082 -7.446 -8.011 1.00 0.00 H new ATOM 839 N VAL A 58 -3.940 -7.396 -3.304 1.00 0.00 N ATOM 840 CA VAL A 58 -2.994 -7.115 -2.232 1.00 0.00 C ATOM 841 C VAL A 58 -1.630 -7.706 -2.563 1.00 0.00 C ATOM 842 O VAL A 58 -1.488 -8.918 -2.725 1.00 0.00 O ATOM 843 CB VAL A 58 -3.482 -7.691 -0.893 1.00 0.00 C ATOM 844 CG1 VAL A 58 -3.720 -9.187 -1.015 1.00 0.00 C ATOM 845 CG2 VAL A 58 -2.484 -7.390 0.213 1.00 0.00 C ATOM 0 H VAL A 58 -3.687 -8.195 -3.886 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.913 -6.032 -2.139 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.428 -7.215 -0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.065 -9.580 -0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.476 -9.374 -1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.790 -9.682 -1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.847 -7.805 1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.521 -7.837 -0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.367 -6.311 0.314 1.00 0.00 H new ATOM 855 N LYS A 59 -0.632 -6.840 -2.678 1.00 0.00 N ATOM 856 CA LYS A 59 0.720 -7.272 -3.008 1.00 0.00 C ATOM 857 C LYS A 59 1.736 -6.603 -2.091 1.00 0.00 C ATOM 858 O LYS A 59 2.480 -5.716 -2.511 1.00 0.00 O ATOM 859 CB LYS A 59 1.030 -6.938 -4.469 1.00 0.00 C ATOM 860 CG LYS A 59 -0.185 -7.029 -5.380 1.00 0.00 C ATOM 861 CD LYS A 59 0.156 -7.661 -6.717 1.00 0.00 C ATOM 862 CE LYS A 59 -0.895 -7.335 -7.769 1.00 0.00 C ATOM 863 NZ LYS A 59 -0.301 -7.211 -9.129 1.00 0.00 N ATOM 0 H LYS A 59 -0.733 -5.833 -2.548 1.00 0.00 H new ATOM 0 HA LYS A 59 0.786 -8.351 -2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.442 -5.930 -4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.800 -7.617 -4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.963 -7.614 -4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.592 -6.031 -5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.130 -7.305 -7.051 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.234 -8.742 -6.601 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.656 -8.115 -7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.396 -6.403 -7.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.050 -6.989 -9.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.407 -6.450 -9.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.155 -8.108 -9.392 1.00 0.00 H new ATOM 877 N VAL A 60 1.752 -7.025 -0.833 1.00 0.00 N ATOM 878 CA VAL A 60 2.667 -6.460 0.151 1.00 0.00 C ATOM 879 C VAL A 60 2.555 -7.207 1.481 1.00 0.00 C ATOM 880 O VAL A 60 1.565 -7.889 1.742 1.00 0.00 O ATOM 881 CB VAL A 60 2.395 -4.941 0.349 1.00 0.00 C ATOM 882 CG1 VAL A 60 0.907 -4.642 0.222 1.00 0.00 C ATOM 883 CG2 VAL A 60 2.934 -4.428 1.684 1.00 0.00 C ATOM 0 H VAL A 60 1.142 -7.757 -0.470 1.00 0.00 H new ATOM 0 HA VAL A 60 3.684 -6.577 -0.223 1.00 0.00 H new ATOM 0 HB VAL A 60 2.930 -4.412 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.737 -3.575 0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.560 -4.936 -0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.358 -5.201 0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.721 -3.363 1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.455 -4.967 2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.011 -4.587 1.727 1.00 0.00 H new ATOM 893 N LYS A 61 3.580 -7.066 2.313 1.00 0.00 N ATOM 894 CA LYS A 61 3.606 -7.722 3.614 1.00 0.00 C ATOM 895 C LYS A 61 4.686 -7.115 4.506 1.00 0.00 C ATOM 896 O LYS A 61 5.158 -6.006 4.258 1.00 0.00 O ATOM 897 CB LYS A 61 3.850 -9.222 3.448 1.00 0.00 C ATOM 898 CG LYS A 61 3.069 -10.079 4.430 1.00 0.00 C ATOM 899 CD LYS A 61 1.948 -10.838 3.738 1.00 0.00 C ATOM 900 CE LYS A 61 0.633 -10.078 3.810 1.00 0.00 C ATOM 901 NZ LYS A 61 -0.477 -10.933 4.315 1.00 0.00 N ATOM 0 H LYS A 61 4.405 -6.502 2.109 1.00 0.00 H new ATOM 0 HA LYS A 61 2.637 -7.570 4.090 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.584 -9.514 2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.914 -9.424 3.569 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.743 -10.785 4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.652 -9.447 5.214 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.213 -11.010 2.695 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.829 -11.817 4.202 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.750 -9.212 4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.378 -9.700 2.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.355 -10.377 4.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.606 -11.746 3.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.246 -11.274 5.270 1.00 0.00 H new ATOM 915 N VAL A 62 5.072 -7.850 5.543 1.00 0.00 N ATOM 916 CA VAL A 62 6.094 -7.384 6.469 1.00 0.00 C ATOM 917 C VAL A 62 7.393 -8.164 6.293 1.00 0.00 C ATOM 918 O VAL A 62 7.765 -8.970 7.146 1.00 0.00 O ATOM 919 CB VAL A 62 5.621 -7.509 7.930 1.00 0.00 C ATOM 920 CG1 VAL A 62 6.701 -7.030 8.889 1.00 0.00 C ATOM 921 CG2 VAL A 62 4.330 -6.731 8.138 1.00 0.00 C ATOM 0 H VAL A 62 4.692 -8.771 5.762 1.00 0.00 H new ATOM 0 HA VAL A 62 6.275 -6.333 6.242 1.00 0.00 H new ATOM 0 HB VAL A 62 5.426 -8.561 8.140 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.346 -7.127 9.915 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.599 -7.634 8.757 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.933 -5.985 8.683 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.009 -6.829 9.175 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.498 -5.679 7.908 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.557 -7.127 7.480 1.00 0.00 H new ATOM 931 N GLY A 63 8.080 -7.917 5.182 1.00 0.00 N ATOM 932 CA GLY A 63 9.330 -8.604 4.915 1.00 0.00 C ATOM 933 C GLY A 63 9.499 -8.962 3.452 1.00 0.00 C ATOM 934 O GLY A 63 9.926 -10.068 3.123 1.00 0.00 O ATOM 0 H GLY A 63 7.793 -7.254 4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.161 -7.973 5.229 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.376 -9.513 5.515 1.00 0.00 H new ATOM 938 N ASP A 64 9.165 -8.024 2.570 1.00 0.00 N ATOM 939 CA ASP A 64 9.284 -8.249 1.133 1.00 0.00 C ATOM 940 C ASP A 64 9.891 -7.034 0.439 1.00 0.00 C ATOM 941 O ASP A 64 10.081 -5.985 1.055 1.00 0.00 O ATOM 942 CB ASP A 64 7.915 -8.566 0.529 1.00 0.00 C ATOM 943 CG ASP A 64 6.859 -7.553 0.921 1.00 0.00 C ATOM 944 OD1 ASP A 64 6.609 -7.395 2.135 1.00 0.00 O ATOM 945 OD2 ASP A 64 6.281 -6.916 0.015 1.00 0.00 O ATOM 0 H ASP A 64 8.810 -7.102 2.825 1.00 0.00 H new ATOM 0 HA ASP A 64 9.947 -9.101 0.979 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.999 -8.596 -0.557 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.600 -9.558 0.852 1.00 0.00 H new ATOM 950 N LYS A 65 10.194 -7.182 -0.848 1.00 0.00 N ATOM 951 CA LYS A 65 10.778 -6.098 -1.628 1.00 0.00 C ATOM 952 C LYS A 65 9.703 -5.364 -2.425 1.00 0.00 C ATOM 953 O LYS A 65 8.877 -5.989 -3.090 1.00 0.00 O ATOM 954 CB LYS A 65 11.851 -6.641 -2.574 1.00 0.00 C ATOM 955 CG LYS A 65 13.013 -7.309 -1.856 1.00 0.00 C ATOM 956 CD LYS A 65 14.242 -6.414 -1.831 1.00 0.00 C ATOM 957 CE LYS A 65 15.509 -7.218 -1.585 1.00 0.00 C ATOM 958 NZ LYS A 65 16.736 -6.399 -1.789 1.00 0.00 N ATOM 0 H LYS A 65 10.044 -8.044 -1.372 1.00 0.00 H new ATOM 0 HA LYS A 65 11.239 -5.393 -0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.394 -7.359 -3.255 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.234 -5.823 -3.184 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.719 -7.554 -0.835 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.256 -8.249 -2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.325 -5.881 -2.778 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.130 -5.661 -1.051 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.499 -7.609 -0.568 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.530 -8.077 -2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.577 -6.984 -1.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.759 -6.047 -2.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.729 -5.594 -1.131 1.00 0.00 H new ATOM 972 N ILE A 66 9.717 -4.037 -2.351 1.00 0.00 N ATOM 973 CA ILE A 66 8.739 -3.222 -3.063 1.00 0.00 C ATOM 974 C ILE A 66 9.403 -1.983 -3.677 1.00 0.00 C ATOM 975 O ILE A 66 10.399 -1.483 -3.163 1.00 0.00 O ATOM 976 CB ILE A 66 7.557 -2.840 -2.113 1.00 0.00 C ATOM 977 CG1 ILE A 66 6.265 -3.480 -2.616 1.00 0.00 C ATOM 978 CG2 ILE A 66 7.372 -1.330 -1.949 1.00 0.00 C ATOM 979 CD1 ILE A 66 6.306 -4.990 -2.604 1.00 0.00 C ATOM 0 H ILE A 66 10.394 -3.504 -1.806 1.00 0.00 H new ATOM 0 HA ILE A 66 8.328 -3.806 -3.886 1.00 0.00 H new ATOM 0 HB ILE A 66 7.808 -3.225 -1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.434 -3.140 -1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.068 -3.136 -3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.535 -1.137 -1.277 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.280 -0.895 -1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.168 -0.881 -2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.358 -5.383 -2.973 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.117 -5.337 -3.245 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.473 -5.341 -1.586 1.00 0.00 H new ATOM 991 N SER A 67 8.841 -1.496 -4.778 1.00 0.00 N ATOM 992 CA SER A 67 9.384 -0.323 -5.453 1.00 0.00 C ATOM 993 C SER A 67 8.271 0.589 -5.963 1.00 0.00 C ATOM 994 O SER A 67 7.254 0.115 -6.468 1.00 0.00 O ATOM 995 CB SER A 67 10.274 -0.754 -6.619 1.00 0.00 C ATOM 996 OG SER A 67 10.927 -1.979 -6.338 1.00 0.00 O ATOM 0 H SER A 67 8.013 -1.894 -5.221 1.00 0.00 H new ATOM 0 HA SER A 67 9.977 0.236 -4.729 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.671 -0.859 -7.521 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.016 0.019 -6.819 1.00 0.00 H new ATOM 0 HG SER A 67 11.346 -2.322 -7.155 1.00 0.00 H new ATOM 1002 N GLU A 68 8.479 1.902 -5.831 1.00 0.00 N ATOM 1003 CA GLU A 68 7.503 2.897 -6.282 1.00 0.00 C ATOM 1004 C GLU A 68 6.886 2.497 -7.621 1.00 0.00 C ATOM 1005 O GLU A 68 7.434 2.795 -8.682 1.00 0.00 O ATOM 1006 CB GLU A 68 8.168 4.270 -6.410 1.00 0.00 C ATOM 1007 CG GLU A 68 9.060 4.628 -5.231 1.00 0.00 C ATOM 1008 CD GLU A 68 10.535 4.507 -5.558 1.00 0.00 C ATOM 1009 OE1 GLU A 68 10.942 3.450 -6.087 1.00 0.00 O ATOM 1010 OE2 GLU A 68 11.284 5.468 -5.286 1.00 0.00 O ATOM 0 H GLU A 68 9.319 2.302 -5.413 1.00 0.00 H new ATOM 0 HA GLU A 68 6.708 2.947 -5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.762 4.293 -7.324 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.394 5.031 -6.513 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.845 5.648 -4.914 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.823 3.976 -4.390 1.00 0.00 H new ATOM 1017 N GLY A 69 5.754 1.807 -7.559 1.00 0.00 N ATOM 1018 CA GLY A 69 5.092 1.363 -8.769 1.00 0.00 C ATOM 1019 C GLY A 69 5.033 -0.150 -8.861 1.00 0.00 C ATOM 1020 O GLY A 69 5.524 -0.737 -9.825 1.00 0.00 O ATOM 0 H GLY A 69 5.283 1.547 -6.692 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.080 1.768 -8.798 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.619 1.759 -9.637 1.00 0.00 H new ATOM 1024 N GLY A 70 4.440 -0.789 -7.851 1.00 0.00 N ATOM 1025 CA GLY A 70 4.349 -2.237 -7.850 1.00 0.00 C ATOM 1026 C GLY A 70 2.924 -2.744 -7.728 1.00 0.00 C ATOM 1027 O GLY A 70 2.703 -3.928 -7.477 1.00 0.00 O ATOM 0 H GLY A 70 4.025 -0.331 -7.040 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.788 -2.623 -8.770 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.941 -2.632 -7.024 1.00 0.00 H new ATOM 1031 N LEU A 71 1.955 -1.851 -7.903 1.00 0.00 N ATOM 1032 CA LEU A 71 0.548 -2.223 -7.805 1.00 0.00 C ATOM 1033 C LEU A 71 0.287 -3.032 -6.541 1.00 0.00 C ATOM 1034 O LEU A 71 -0.193 -4.163 -6.599 1.00 0.00 O ATOM 1035 CB LEU A 71 0.118 -3.021 -9.042 1.00 0.00 C ATOM 1036 CG LEU A 71 -1.325 -3.534 -9.024 1.00 0.00 C ATOM 1037 CD1 LEU A 71 -2.266 -2.486 -8.445 1.00 0.00 C ATOM 1038 CD2 LEU A 71 -1.765 -3.926 -10.426 1.00 0.00 C ATOM 0 H LEU A 71 2.118 -0.866 -8.113 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.042 -1.308 -7.754 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.251 -2.393 -9.923 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.787 -3.874 -9.154 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.365 -4.417 -8.386 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.285 -2.873 -8.443 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.965 -2.251 -7.424 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.223 -1.582 -9.053 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.793 -4.289 -10.397 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.705 -3.058 -11.082 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.113 -4.713 -10.805 1.00 0.00 H new ATOM 1050 N ILE A 72 0.614 -2.441 -5.401 1.00 0.00 N ATOM 1051 CA ILE A 72 0.425 -3.093 -4.115 1.00 0.00 C ATOM 1052 C ILE A 72 -1.021 -3.569 -3.946 1.00 0.00 C ATOM 1053 O ILE A 72 -1.293 -4.768 -3.952 1.00 0.00 O ATOM 1054 CB ILE A 72 0.847 -2.141 -2.962 1.00 0.00 C ATOM 1055 CG1 ILE A 72 2.328 -2.339 -2.660 1.00 0.00 C ATOM 1056 CG2 ILE A 72 0.019 -2.350 -1.691 1.00 0.00 C ATOM 1057 CD1 ILE A 72 2.987 -1.122 -2.063 1.00 0.00 C ATOM 0 H ILE A 72 1.014 -1.505 -5.342 1.00 0.00 H new ATOM 0 HA ILE A 72 1.063 -3.976 -4.077 1.00 0.00 H new ATOM 0 HB ILE A 72 0.662 -1.120 -3.294 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.442 -3.178 -1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.846 -2.608 -3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.357 -1.659 -0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.033 -2.166 -1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.143 -3.375 -1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.039 -1.334 -1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.905 -0.286 -2.758 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.494 -0.865 -1.125 1.00 0.00 H new ATOM 1069 N VAL A 73 -1.941 -2.626 -3.784 1.00 0.00 N ATOM 1070 CA VAL A 73 -3.346 -2.972 -3.603 1.00 0.00 C ATOM 1071 C VAL A 73 -4.251 -2.154 -4.516 1.00 0.00 C ATOM 1072 O VAL A 73 -3.936 -1.022 -4.876 1.00 0.00 O ATOM 1073 CB VAL A 73 -3.790 -2.769 -2.142 1.00 0.00 C ATOM 1074 CG1 VAL A 73 -2.897 -3.560 -1.198 1.00 0.00 C ATOM 1075 CG2 VAL A 73 -3.787 -1.292 -1.778 1.00 0.00 C ATOM 0 H VAL A 73 -1.743 -1.625 -3.774 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.441 -4.026 -3.865 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.810 -3.140 -2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.226 -3.404 -0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.959 -4.621 -1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.866 -3.223 -1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.104 -1.172 -0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.781 -0.890 -1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.474 -0.755 -2.432 1.00 0.00 H new ATOM 1085 N VAL A 74 -5.384 -2.742 -4.876 1.00 0.00 N ATOM 1086 CA VAL A 74 -6.359 -2.088 -5.739 1.00 0.00 C ATOM 1087 C VAL A 74 -7.708 -2.008 -5.033 1.00 0.00 C ATOM 1088 O VAL A 74 -8.150 -2.982 -4.424 1.00 0.00 O ATOM 1089 CB VAL A 74 -6.521 -2.854 -7.064 1.00 0.00 C ATOM 1090 CG1 VAL A 74 -7.370 -2.061 -8.045 1.00 0.00 C ATOM 1091 CG2 VAL A 74 -5.160 -3.178 -7.663 1.00 0.00 C ATOM 0 H VAL A 74 -5.652 -3.681 -4.580 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.998 -1.083 -5.958 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.035 -3.793 -6.857 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.471 -2.621 -8.974 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.357 -1.889 -7.616 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.891 -1.103 -8.249 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.294 -3.720 -8.599 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.617 -2.252 -7.854 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.593 -3.794 -6.965 1.00 0.00 H new ATOM 1101 N VAL A 75 -8.351 -0.847 -5.092 1.00 0.00 N ATOM 1102 CA VAL A 75 -9.630 -0.669 -4.428 1.00 0.00 C ATOM 1103 C VAL A 75 -10.730 -0.224 -5.382 1.00 0.00 C ATOM 1104 O VAL A 75 -10.489 0.028 -6.564 1.00 0.00 O ATOM 1105 CB VAL A 75 -9.516 0.355 -3.294 1.00 0.00 C ATOM 1106 CG1 VAL A 75 -8.585 -0.153 -2.205 1.00 0.00 C ATOM 1107 CG2 VAL A 75 -9.039 1.692 -3.835 1.00 0.00 C ATOM 0 H VAL A 75 -8.009 -0.024 -5.589 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.901 -1.646 -4.027 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.503 0.497 -2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.517 0.589 -1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.975 -1.086 -1.799 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.594 -0.326 -2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.963 2.409 -3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.061 1.568 -4.301 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.750 2.060 -4.575 1.00 0.00 H new ATOM 1117 N GLU A 76 -11.943 -0.134 -4.845 1.00 0.00 N ATOM 1118 CA GLU A 76 -13.106 0.276 -5.618 1.00 0.00 C ATOM 1119 C GLU A 76 -13.240 1.795 -5.634 1.00 0.00 C ATOM 1120 O GLU A 76 -13.554 2.387 -6.667 1.00 0.00 O ATOM 1121 CB GLU A 76 -14.373 -0.358 -5.036 1.00 0.00 C ATOM 1122 CG GLU A 76 -15.139 -1.209 -6.034 1.00 0.00 C ATOM 1123 CD GLU A 76 -16.380 -1.839 -5.431 1.00 0.00 C ATOM 1124 OE1 GLU A 76 -16.332 -2.222 -4.243 1.00 0.00 O ATOM 1125 OE2 GLU A 76 -17.398 -1.948 -6.144 1.00 0.00 O ATOM 0 H GLU A 76 -12.145 -0.342 -3.867 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.974 -0.066 -6.644 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.101 -0.974 -4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.027 0.431 -4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.426 -0.593 -6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -14.485 -1.994 -6.414 1.00 0.00 H new ATOM 1132 N ALA A 77 -12.989 2.418 -4.485 1.00 0.00 N ATOM 1133 CA ALA A 77 -13.071 3.866 -4.354 1.00 0.00 C ATOM 1134 C ALA A 77 -14.453 4.395 -4.729 1.00 0.00 C ATOM 1135 O ALA A 77 -14.960 4.134 -5.819 1.00 0.00 O ATOM 1136 CB ALA A 77 -12.001 4.523 -5.200 1.00 0.00 C ATOM 0 H ALA A 77 -12.725 1.935 -3.626 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.904 4.117 -3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.069 5.606 -5.096 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.018 4.188 -4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.144 4.249 -6.245 1.00 0.00 H new