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= -4.48! C(o=-4.5!,f=-5.4!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 52:sc= 0.0648 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.554 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 31:sc= 0.419 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -149:sc= -0.0849 (180deg=-0.432) 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 21:sc= 0.152! USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 -12.565 1.291 -10.194 1.00 0.00 N ATOM 14 CA LEU A 2 -11.695 0.731 -9.166 1.00 0.00 C ATOM 15 C LEU A 2 -10.400 1.525 -9.058 1.00 0.00 C ATOM 16 O LEU A 2 -10.182 2.484 -9.799 1.00 0.00 O ATOM 17 CB LEU A 2 -11.384 -0.736 -9.473 1.00 0.00 C ATOM 18 CG LEU A 2 -12.593 -1.671 -9.456 1.00 0.00 C ATOM 19 CD1 LEU A 2 -13.000 -2.045 -10.873 1.00 0.00 C ATOM 20 CD2 LEU A 2 -12.288 -2.919 -8.641 1.00 0.00 C ATOM 0 HA LEU A 2 -12.218 0.792 -8.211 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -10.913 -0.794 -10.454 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -10.655 -1.097 -8.747 1.00 0.00 H new ATOM 0 HG LEU A 2 -13.426 -1.148 -8.987 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.862 -2.711 -10.840 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -13.259 -1.143 -11.427 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.171 -2.550 -11.369 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.159 -3.574 -8.639 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -11.440 -3.444 -9.082 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.046 -2.635 -7.617 1.00 0.00 H new ATOM 32 N VAL A 3 -9.545 1.122 -8.126 1.00 0.00 N ATOM 33 CA VAL A 3 -8.271 1.796 -7.914 1.00 0.00 C ATOM 34 C VAL A 3 -7.171 0.788 -7.568 1.00 0.00 C ATOM 35 O VAL A 3 -7.447 -0.339 -7.162 1.00 0.00 O ATOM 36 CB VAL A 3 -8.398 2.871 -6.797 1.00 0.00 C ATOM 37 CG1 VAL A 3 -7.065 3.153 -6.105 1.00 0.00 C ATOM 38 CG2 VAL A 3 -8.978 4.154 -7.373 1.00 0.00 C ATOM 0 H VAL A 3 -9.712 0.331 -7.504 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.994 2.296 -8.842 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.073 2.474 -6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.208 3.910 -5.334 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.691 2.237 -5.649 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.344 3.514 -6.838 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.063 4.901 -6.584 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.322 4.529 -8.159 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.965 3.952 -7.790 1.00 0.00 H new ATOM 48 N GLU A 4 -5.923 1.220 -7.726 1.00 0.00 N ATOM 49 CA GLU A 4 -4.769 0.378 -7.427 1.00 0.00 C ATOM 50 C GLU A 4 -3.711 1.175 -6.670 1.00 0.00 C ATOM 51 O GLU A 4 -3.172 2.153 -7.186 1.00 0.00 O ATOM 52 CB GLU A 4 -4.161 -0.203 -8.713 1.00 0.00 C ATOM 53 CG GLU A 4 -4.609 0.493 -9.991 1.00 0.00 C ATOM 54 CD GLU A 4 -3.944 1.840 -10.185 1.00 0.00 C ATOM 55 OE1 GLU A 4 -2.785 1.999 -9.746 1.00 0.00 O ATOM 56 OE2 GLU A 4 -4.582 2.738 -10.775 1.00 0.00 O ATOM 0 H GLU A 4 -5.685 2.153 -8.061 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.111 -0.447 -6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.075 -0.146 -8.645 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.422 -1.259 -8.779 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.385 -0.145 -10.846 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.691 0.626 -9.968 1.00 0.00 H new ATOM 63 N LEU A 5 -3.422 0.754 -5.442 1.00 0.00 N ATOM 64 CA LEU A 5 -2.429 1.436 -4.620 1.00 0.00 C ATOM 65 C LEU A 5 -1.031 1.244 -5.188 1.00 0.00 C ATOM 66 O LEU A 5 -0.792 0.331 -5.979 1.00 0.00 O ATOM 67 CB LEU A 5 -2.479 0.931 -3.178 1.00 0.00 C ATOM 68 CG LEU A 5 -2.135 1.978 -2.118 1.00 0.00 C ATOM 69 CD1 LEU A 5 -3.374 2.770 -1.728 1.00 0.00 C ATOM 70 CD2 LEU A 5 -1.514 1.316 -0.898 1.00 0.00 C ATOM 0 H LEU A 5 -3.859 -0.052 -4.996 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.666 2.500 -4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.479 0.547 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.789 0.093 -3.078 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.406 2.670 -2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.110 3.510 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.774 3.275 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.127 2.093 -1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.275 2.076 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.219 0.601 -0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.602 0.796 -1.191 1.00 0.00 H new ATOM 82 N LYS A 6 -0.110 2.111 -4.784 1.00 0.00 N ATOM 83 CA LYS A 6 1.263 2.036 -5.262 1.00 0.00 C ATOM 84 C LYS A 6 2.256 2.413 -4.166 1.00 0.00 C ATOM 85 O LYS A 6 1.993 3.291 -3.344 1.00 0.00 O ATOM 86 CB LYS A 6 1.443 2.954 -6.472 1.00 0.00 C ATOM 87 CG LYS A 6 0.393 2.753 -7.555 1.00 0.00 C ATOM 88 CD LYS A 6 1.005 2.828 -8.944 1.00 0.00 C ATOM 89 CE LYS A 6 0.606 4.108 -9.660 1.00 0.00 C ATOM 90 NZ LYS A 6 1.742 5.067 -9.760 1.00 0.00 N ATOM 0 H LYS A 6 -0.289 2.872 -4.128 1.00 0.00 H new ATOM 0 HA LYS A 6 1.463 1.005 -5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.413 3.991 -6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.431 2.786 -6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.089 1.785 -7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.383 3.512 -7.457 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.091 2.776 -8.868 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.685 1.967 -9.531 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.245 3.867 -10.660 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.221 4.579 -9.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.428 5.926 -10.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.070 5.317 -8.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.522 4.628 -10.290 1.00 0.00 H new ATOM 104 N VAL A 7 3.405 1.739 -4.170 1.00 0.00 N ATOM 105 CA VAL A 7 4.465 1.984 -3.189 1.00 0.00 C ATOM 106 C VAL A 7 4.636 3.481 -2.928 1.00 0.00 C ATOM 107 O VAL A 7 4.544 4.292 -3.849 1.00 0.00 O ATOM 108 CB VAL A 7 5.807 1.388 -3.670 1.00 0.00 C ATOM 109 CG1 VAL A 7 6.913 1.664 -2.667 1.00 0.00 C ATOM 110 CG2 VAL A 7 5.668 -0.106 -3.922 1.00 0.00 C ATOM 0 H VAL A 7 3.628 1.011 -4.849 1.00 0.00 H new ATOM 0 HA VAL A 7 4.171 1.496 -2.260 1.00 0.00 H new ATOM 0 HB VAL A 7 6.077 1.871 -4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.847 1.235 -3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.032 2.740 -2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.655 1.215 -1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.623 -0.508 -4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.370 -0.604 -2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.911 -0.277 -4.687 1.00 0.00 H new ATOM 120 N PRO A 8 4.872 3.876 -1.662 1.00 0.00 N ATOM 121 CA PRO A 8 5.033 5.285 -1.301 1.00 0.00 C ATOM 122 C PRO A 8 6.382 5.855 -1.711 1.00 0.00 C ATOM 123 O PRO A 8 7.129 5.242 -2.473 1.00 0.00 O ATOM 124 CB PRO A 8 4.907 5.280 0.220 1.00 0.00 C ATOM 125 CG PRO A 8 5.359 3.921 0.637 1.00 0.00 C ATOM 126 CD PRO A 8 4.985 2.987 -0.487 1.00 0.00 C ATOM 0 HA PRO A 8 4.299 5.910 -1.809 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.524 6.057 0.670 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.880 5.468 0.532 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.435 3.906 0.813 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.879 3.620 1.568 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.744 2.219 -0.638 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.046 2.472 -0.283 1.00 0.00 H new ATOM 134 N ASP A 9 6.677 7.041 -1.195 1.00 0.00 N ATOM 135 CA ASP A 9 7.927 7.727 -1.489 1.00 0.00 C ATOM 136 C ASP A 9 8.941 7.516 -0.370 1.00 0.00 C ATOM 137 O ASP A 9 9.077 8.353 0.522 1.00 0.00 O ATOM 138 CB ASP A 9 7.658 9.217 -1.670 1.00 0.00 C ATOM 139 CG ASP A 9 7.883 9.679 -3.098 1.00 0.00 C ATOM 140 OD1 ASP A 9 7.329 9.046 -4.021 1.00 0.00 O ATOM 141 OD2 ASP A 9 8.615 10.673 -3.291 1.00 0.00 O ATOM 0 H ASP A 9 6.060 7.552 -0.564 1.00 0.00 H new ATOM 0 HA ASP A 9 8.343 7.314 -2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.631 9.435 -1.379 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.306 9.784 -1.002 1.00 0.00 H new ATOM 146 N ILE A 10 9.650 6.396 -0.419 1.00 0.00 N ATOM 147 CA ILE A 10 10.647 6.085 0.600 1.00 0.00 C ATOM 148 C ILE A 10 11.951 6.854 0.378 1.00 0.00 C ATOM 149 O ILE A 10 12.904 6.695 1.139 1.00 0.00 O ATOM 150 CB ILE A 10 10.949 4.573 0.668 1.00 0.00 C ATOM 151 CG1 ILE A 10 10.995 3.949 -0.732 1.00 0.00 C ATOM 152 CG2 ILE A 10 9.904 3.873 1.523 1.00 0.00 C ATOM 153 CD1 ILE A 10 11.774 4.762 -1.743 1.00 0.00 C ATOM 0 H ILE A 10 9.555 5.690 -1.149 1.00 0.00 H new ATOM 0 HA ILE A 10 10.214 6.399 1.550 1.00 0.00 H new ATOM 0 HB ILE A 10 11.931 4.443 1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.438 2.955 -0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.975 3.819 -1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.124 2.806 1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.921 4.288 2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.917 4.022 1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.760 4.254 -2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.320 5.748 -1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.805 4.871 -1.406 1.00 0.00 H new ATOM 197 N GLU A 14 13.944 2.280 -5.749 1.00 0.00 N ATOM 198 CA GLU A 14 13.083 1.137 -6.022 1.00 0.00 C ATOM 199 C GLU A 14 13.551 -0.091 -5.251 1.00 0.00 C ATOM 200 O GLU A 14 14.590 -0.065 -4.591 1.00 0.00 O ATOM 201 CB GLU A 14 13.064 0.834 -7.521 1.00 0.00 C ATOM 202 CG GLU A 14 12.348 1.890 -8.346 1.00 0.00 C ATOM 203 CD GLU A 14 11.922 1.375 -9.708 1.00 0.00 C ATOM 204 OE1 GLU A 14 12.434 0.316 -10.128 1.00 0.00 O ATOM 205 OE2 GLU A 14 11.078 2.031 -10.353 1.00 0.00 O ATOM 0 HA GLU A 14 12.074 1.387 -5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 14 14.090 0.740 -7.877 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.581 -0.130 -7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.470 2.237 -7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.004 2.751 -8.476 1.00 0.00 H new ATOM 212 N ASN A 15 12.775 -1.166 -5.341 1.00 0.00 N ATOM 213 CA ASN A 15 13.099 -2.416 -4.657 1.00 0.00 C ATOM 214 C ASN A 15 13.567 -2.168 -3.225 1.00 0.00 C ATOM 215 O ASN A 15 14.763 -2.207 -2.937 1.00 0.00 O ATOM 216 CB ASN A 15 14.172 -3.185 -5.432 1.00 0.00 C ATOM 217 CG ASN A 15 15.365 -2.320 -5.788 1.00 0.00 C ATOM 218 OD1 ASN A 15 15.304 -1.508 -6.710 1.00 0.00 O ATOM 219 ND2 ASN A 15 16.459 -2.491 -5.055 1.00 0.00 N ATOM 0 H ASN A 15 11.912 -1.198 -5.884 1.00 0.00 H new ATOM 0 HA ASN A 15 12.188 -3.013 -4.615 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.508 -4.033 -4.836 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.736 -3.590 -6.345 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.294 -1.937 -5.247 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.465 -3.176 -4.300 1.00 0.00 H new ATOM 226 N VAL A 16 12.615 -1.924 -2.330 1.00 0.00 N ATOM 227 CA VAL A 16 12.926 -1.684 -0.928 1.00 0.00 C ATOM 228 C VAL A 16 12.205 -2.691 -0.044 1.00 0.00 C ATOM 229 O VAL A 16 11.513 -3.578 -0.541 1.00 0.00 O ATOM 230 CB VAL A 16 12.541 -0.257 -0.489 1.00 0.00 C ATOM 231 CG1 VAL A 16 13.254 0.777 -1.345 1.00 0.00 C ATOM 232 CG2 VAL A 16 11.033 -0.065 -0.548 1.00 0.00 C ATOM 0 H VAL A 16 11.620 -1.888 -2.553 1.00 0.00 H new ATOM 0 HA VAL A 16 14.004 -1.798 -0.816 1.00 0.00 H new ATOM 0 HB VAL A 16 12.859 -0.118 0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 16 12.969 1.778 -1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 16 14.332 0.655 -1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.973 0.641 -2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.783 0.948 -0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.685 -0.225 -1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.549 -0.780 0.117 1.00 0.00 H new ATOM 242 N ASP A 17 12.370 -2.559 1.264 1.00 0.00 N ATOM 243 CA ASP A 17 11.733 -3.474 2.200 1.00 0.00 C ATOM 244 C ASP A 17 10.567 -2.808 2.923 1.00 0.00 C ATOM 245 O ASP A 17 10.749 -1.833 3.653 1.00 0.00 O ATOM 246 CB ASP A 17 12.753 -3.982 3.220 1.00 0.00 C ATOM 247 CG ASP A 17 13.419 -5.272 2.779 1.00 0.00 C ATOM 248 OD1 ASP A 17 13.161 -5.712 1.638 1.00 0.00 O ATOM 249 OD2 ASP A 17 14.196 -5.840 3.573 1.00 0.00 O ATOM 0 H ASP A 17 12.936 -1.831 1.700 1.00 0.00 H new ATOM 0 HA ASP A 17 11.343 -4.316 1.628 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.515 -3.219 3.379 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.257 -4.141 4.177 1.00 0.00 H new ATOM 254 N ILE A 18 9.367 -3.354 2.731 1.00 0.00 N ATOM 255 CA ILE A 18 8.181 -2.826 3.383 1.00 0.00 C ATOM 256 C ILE A 18 8.412 -2.790 4.892 1.00 0.00 C ATOM 257 O ILE A 18 9.365 -3.393 5.388 1.00 0.00 O ATOM 258 CB ILE A 18 6.937 -3.680 3.026 1.00 0.00 C ATOM 259 CG1 ILE A 18 6.481 -3.350 1.606 1.00 0.00 C ATOM 260 CG2 ILE A 18 5.797 -3.463 4.010 1.00 0.00 C ATOM 261 CD1 ILE A 18 5.736 -4.480 0.930 1.00 0.00 C ATOM 0 H ILE A 18 9.196 -4.160 2.130 1.00 0.00 H new ATOM 0 HA ILE A 18 7.993 -1.812 3.031 1.00 0.00 H new ATOM 0 HB ILE A 18 7.221 -4.731 3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.839 -2.469 1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.352 -3.090 1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.946 -4.080 3.723 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.124 -3.740 5.012 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.503 -2.413 4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.443 -4.173 -0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.382 -5.356 0.868 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.845 -4.726 1.508 1.00 0.00 H new ATOM 273 N ILE A 19 7.570 -2.069 5.625 1.00 0.00 N ATOM 274 CA ILE A 19 7.760 -1.972 7.073 1.00 0.00 C ATOM 275 C ILE A 19 6.444 -2.115 7.849 1.00 0.00 C ATOM 276 O ILE A 19 6.429 -2.004 9.075 1.00 0.00 O ATOM 277 CB ILE A 19 8.542 -0.661 7.473 1.00 0.00 C ATOM 278 CG1 ILE A 19 7.676 0.398 8.181 1.00 0.00 C ATOM 279 CG2 ILE A 19 9.210 -0.020 6.260 1.00 0.00 C ATOM 280 CD1 ILE A 19 7.949 0.500 9.663 1.00 0.00 C ATOM 0 H ILE A 19 6.770 -1.555 5.256 1.00 0.00 H new ATOM 0 HA ILE A 19 8.381 -2.819 7.363 1.00 0.00 H new ATOM 0 HB ILE A 19 9.294 -0.997 8.187 1.00 0.00 H new ATOM 0 HG12 ILE A 19 7.852 1.369 7.719 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.624 0.158 8.028 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.740 0.881 6.570 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.917 -0.723 5.820 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.451 0.241 5.523 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.306 1.264 10.100 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.746 -0.460 10.137 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.993 0.770 9.823 1.00 0.00 H new ATOM 292 N ALA A 20 5.347 -2.363 7.139 1.00 0.00 N ATOM 293 CA ALA A 20 4.049 -2.518 7.782 1.00 0.00 C ATOM 294 C ALA A 20 3.019 -3.096 6.818 1.00 0.00 C ATOM 295 O ALA A 20 3.113 -2.909 5.605 1.00 0.00 O ATOM 296 CB ALA A 20 3.571 -1.182 8.324 1.00 0.00 C ATOM 0 H ALA A 20 5.332 -2.460 6.124 1.00 0.00 H new ATOM 0 HA ALA A 20 4.164 -3.218 8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.600 -1.310 8.802 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.289 -0.808 9.054 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.481 -0.468 7.505 1.00 0.00 H new ATOM 302 N VAL A 21 2.034 -3.796 7.370 1.00 0.00 N ATOM 303 CA VAL A 21 0.980 -4.399 6.566 1.00 0.00 C ATOM 304 C VAL A 21 -0.383 -4.196 7.221 1.00 0.00 C ATOM 305 O VAL A 21 -0.606 -4.623 8.354 1.00 0.00 O ATOM 306 CB VAL A 21 1.224 -5.907 6.357 1.00 0.00 C ATOM 307 CG1 VAL A 21 0.101 -6.523 5.534 1.00 0.00 C ATOM 308 CG2 VAL A 21 2.570 -6.139 5.688 1.00 0.00 C ATOM 0 H VAL A 21 1.944 -3.959 8.373 1.00 0.00 H new ATOM 0 HA VAL A 21 0.993 -3.904 5.595 1.00 0.00 H new ATOM 0 HB VAL A 21 1.237 -6.393 7.333 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.292 -7.587 5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.847 -6.388 6.054 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.054 -6.035 4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.727 -7.208 5.548 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.586 -5.640 4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.363 -5.735 6.317 1.00 0.00 H new ATOM 318 N GLU A 22 -1.290 -3.540 6.504 1.00 0.00 N ATOM 319 CA GLU A 22 -2.628 -3.281 7.022 1.00 0.00 C ATOM 320 C GLU A 22 -3.653 -3.259 5.895 1.00 0.00 C ATOM 321 O GLU A 22 -4.320 -2.249 5.669 1.00 0.00 O ATOM 322 CB GLU A 22 -2.656 -1.954 7.779 1.00 0.00 C ATOM 323 CG GLU A 22 -2.084 -2.044 9.186 1.00 0.00 C ATOM 324 CD GLU A 22 -2.868 -2.990 10.074 1.00 0.00 C ATOM 325 OE1 GLU A 22 -4.115 -2.928 10.053 1.00 0.00 O ATOM 326 OE2 GLU A 22 -2.233 -3.795 10.789 1.00 0.00 O ATOM 0 H GLU A 22 -1.123 -3.179 5.565 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.887 -4.088 7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.094 -1.211 7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.685 -1.599 7.836 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.047 -2.377 9.132 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.077 -1.051 9.636 1.00 0.00 H new ATOM 333 N VAL A 23 -3.772 -4.377 5.192 1.00 0.00 N ATOM 334 CA VAL A 23 -4.716 -4.489 4.088 1.00 0.00 C ATOM 335 C VAL A 23 -5.354 -5.867 4.050 1.00 0.00 C ATOM 336 O VAL A 23 -4.687 -6.869 3.788 1.00 0.00 O ATOM 337 CB VAL A 23 -4.038 -4.212 2.737 1.00 0.00 C ATOM 338 CG1 VAL A 23 -3.894 -2.715 2.508 1.00 0.00 C ATOM 339 CG2 VAL A 23 -2.684 -4.903 2.666 1.00 0.00 C ATOM 0 H VAL A 23 -3.226 -5.221 5.367 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.488 -3.739 4.257 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.668 -4.618 1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.412 -2.539 1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.880 -2.250 2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.287 -2.282 3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.220 -4.695 1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.043 -4.531 3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.818 -5.979 2.780 1.00 0.00 H new ATOM 349 N ASN A 24 -6.653 -5.909 4.308 1.00 0.00 N ATOM 350 CA ASN A 24 -7.392 -7.160 4.299 1.00 0.00 C ATOM 351 C ASN A 24 -8.516 -7.108 3.280 1.00 0.00 C ATOM 352 O ASN A 24 -9.603 -6.601 3.558 1.00 0.00 O ATOM 353 CB ASN A 24 -7.960 -7.465 5.679 1.00 0.00 C ATOM 354 CG ASN A 24 -6.925 -7.322 6.779 1.00 0.00 C ATOM 355 OD1 ASN A 24 -6.616 -6.213 7.215 1.00 0.00 O ATOM 356 ND2 ASN A 24 -6.384 -8.447 7.232 1.00 0.00 N ATOM 0 H ASN A 24 -7.217 -5.088 4.527 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.700 -7.956 4.023 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.795 -6.794 5.881 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.357 -8.480 5.688 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.682 -8.414 7.971 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.671 -9.344 6.841 1.00 0.00 H new ATOM 363 N VAL A 25 -8.240 -7.637 2.098 1.00 0.00 N ATOM 364 CA VAL A 25 -9.215 -7.664 1.007 1.00 0.00 C ATOM 365 C VAL A 25 -10.619 -7.988 1.515 1.00 0.00 C ATOM 366 O VAL A 25 -10.865 -9.072 2.044 1.00 0.00 O ATOM 367 CB VAL A 25 -8.820 -8.696 -0.067 1.00 0.00 C ATOM 368 CG1 VAL A 25 -9.842 -8.715 -1.194 1.00 0.00 C ATOM 369 CG2 VAL A 25 -7.428 -8.400 -0.605 1.00 0.00 C ATOM 0 H VAL A 25 -7.341 -8.058 1.864 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.219 -6.667 0.567 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.805 -9.684 0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.545 -9.450 -1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.820 -8.980 -0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.894 -7.729 -1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.166 -9.139 -1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.414 -7.405 -1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.706 -8.444 0.210 1.00 0.00 H new ATOM 379 N GLY A 26 -11.533 -7.038 1.352 1.00 0.00 N ATOM 380 CA GLY A 26 -12.898 -7.234 1.798 1.00 0.00 C ATOM 381 C GLY A 26 -13.301 -6.262 2.893 1.00 0.00 C ATOM 382 O GLY A 26 -14.309 -6.464 3.569 1.00 0.00 O ATOM 0 H GLY A 26 -11.351 -6.133 0.917 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.573 -7.120 0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.014 -8.255 2.163 1.00 0.00 H new ATOM 386 N ASP A 27 -12.512 -5.205 3.069 1.00 0.00 N ATOM 387 CA ASP A 27 -12.797 -4.202 4.089 1.00 0.00 C ATOM 388 C ASP A 27 -12.997 -2.828 3.460 1.00 0.00 C ATOM 389 O ASP A 27 -12.468 -2.543 2.385 1.00 0.00 O ATOM 390 CB ASP A 27 -11.658 -4.146 5.109 1.00 0.00 C ATOM 391 CG ASP A 27 -12.028 -4.804 6.425 1.00 0.00 C ATOM 392 OD1 ASP A 27 -13.009 -4.358 7.056 1.00 0.00 O ATOM 393 OD2 ASP A 27 -11.336 -5.764 6.823 1.00 0.00 O ATOM 0 H ASP A 27 -11.672 -5.022 2.519 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.719 -4.487 4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.778 -4.638 4.695 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.386 -3.106 5.290 1.00 0.00 H new ATOM 398 N THR A 28 -13.763 -1.978 4.137 1.00 0.00 N ATOM 399 CA THR A 28 -14.031 -0.634 3.644 1.00 0.00 C ATOM 400 C THR A 28 -12.780 0.233 3.724 1.00 0.00 C ATOM 401 O THR A 28 -11.965 0.081 4.635 1.00 0.00 O ATOM 402 CB THR A 28 -15.165 0.010 4.443 1.00 0.00 C ATOM 403 OG1 THR A 28 -16.211 -0.919 4.667 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.765 1.221 3.761 1.00 0.00 C ATOM 0 H THR A 28 -14.208 -2.197 5.028 1.00 0.00 H new ATOM 0 HA THR A 28 -14.332 -0.711 2.599 1.00 0.00 H new ATOM 0 HB THR A 28 -14.712 0.329 5.382 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.926 -0.489 5.181 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.563 1.629 4.381 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.993 1.978 3.618 1.00 0.00 H new ATOM 0 HG23 THR A 28 -16.171 0.929 2.792 1.00 0.00 H new ATOM 412 N ILE A 29 -12.633 1.141 2.766 1.00 0.00 N ATOM 413 CA ILE A 29 -11.480 2.030 2.729 1.00 0.00 C ATOM 414 C ILE A 29 -11.895 3.457 2.398 1.00 0.00 C ATOM 415 O ILE A 29 -12.928 3.685 1.771 1.00 0.00 O ATOM 416 CB ILE A 29 -10.433 1.557 1.700 1.00 0.00 C ATOM 417 CG1 ILE A 29 -11.078 1.381 0.326 1.00 0.00 C ATOM 418 CG2 ILE A 29 -9.794 0.258 2.158 1.00 0.00 C ATOM 419 CD1 ILE A 29 -10.194 1.819 -0.824 1.00 0.00 C ATOM 0 H ILE A 29 -13.298 1.280 2.005 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.034 2.007 3.723 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.655 2.316 1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.342 0.332 0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -12.007 1.950 0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.057 -0.064 1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.304 0.413 3.119 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.562 -0.508 2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.719 1.664 -1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.951 2.876 -0.714 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.275 1.233 -0.820 1.00 0.00 H new ATOM 431 N ALA A 30 -11.080 4.414 2.829 1.00 0.00 N ATOM 432 CA ALA A 30 -11.356 5.821 2.583 1.00 0.00 C ATOM 433 C ALA A 30 -10.104 6.546 2.105 1.00 0.00 C ATOM 434 O ALA A 30 -9.062 5.927 1.884 1.00 0.00 O ATOM 435 CB ALA A 30 -11.903 6.480 3.839 1.00 0.00 C ATOM 0 H ALA A 30 -10.222 4.238 3.351 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.108 5.888 1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.105 7.532 3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.826 5.984 4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.171 6.397 4.642 1.00 0.00 H new ATOM 441 N VAL A 31 -10.209 7.859 1.949 1.00 0.00 N ATOM 442 CA VAL A 31 -9.083 8.664 1.497 1.00 0.00 C ATOM 443 C VAL A 31 -8.283 9.199 2.679 1.00 0.00 C ATOM 444 O VAL A 31 -7.956 10.384 2.735 1.00 0.00 O ATOM 445 CB VAL A 31 -9.553 9.843 0.626 1.00 0.00 C ATOM 446 CG1 VAL A 31 -8.370 10.496 -0.073 1.00 0.00 C ATOM 447 CG2 VAL A 31 -10.589 9.376 -0.387 1.00 0.00 C ATOM 0 H VAL A 31 -11.062 8.389 2.129 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.445 8.014 0.898 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.018 10.587 1.272 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.722 11.327 -0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.666 10.866 0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.873 9.763 -0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.911 10.222 -0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.151 8.613 -1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.448 8.958 0.138 1.00 0.00 H new ATOM 457 N ASP A 32 -7.967 8.315 3.620 1.00 0.00 N ATOM 458 CA ASP A 32 -7.202 8.696 4.803 1.00 0.00 C ATOM 459 C ASP A 32 -7.131 7.546 5.804 1.00 0.00 C ATOM 460 O ASP A 32 -7.694 7.627 6.896 1.00 0.00 O ATOM 461 CB ASP A 32 -7.827 9.925 5.467 1.00 0.00 C ATOM 462 CG ASP A 32 -9.343 9.866 5.483 1.00 0.00 C ATOM 463 OD1 ASP A 32 -9.890 8.786 5.790 1.00 0.00 O ATOM 464 OD2 ASP A 32 -9.980 10.899 5.189 1.00 0.00 O ATOM 0 H ASP A 32 -8.229 7.330 3.587 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.188 8.938 4.484 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.459 10.009 6.489 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.507 10.823 4.938 1.00 0.00 H new ATOM 469 N ASP A 33 -6.433 6.477 5.428 1.00 0.00 N ATOM 470 CA ASP A 33 -6.288 5.314 6.301 1.00 0.00 C ATOM 471 C ASP A 33 -4.995 4.570 5.991 1.00 0.00 C ATOM 472 O ASP A 33 -4.870 3.928 4.947 1.00 0.00 O ATOM 473 CB ASP A 33 -7.488 4.368 6.159 1.00 0.00 C ATOM 474 CG ASP A 33 -8.125 4.417 4.782 1.00 0.00 C ATOM 475 OD1 ASP A 33 -8.538 5.516 4.358 1.00 0.00 O ATOM 476 OD2 ASP A 33 -8.210 3.354 4.130 1.00 0.00 O ATOM 0 H ASP A 33 -5.960 6.392 4.528 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.250 5.670 7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.166 3.348 6.368 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.237 4.625 6.908 1.00 0.00 H new ATOM 481 N THR A 34 -4.029 4.666 6.900 1.00 0.00 N ATOM 482 CA THR A 34 -2.741 4.009 6.719 1.00 0.00 C ATOM 483 C THR A 34 -2.900 2.562 6.275 1.00 0.00 C ATOM 484 O THR A 34 -3.478 1.739 6.985 1.00 0.00 O ATOM 485 CB THR A 34 -1.918 4.067 7.996 1.00 0.00 C ATOM 486 OG1 THR A 34 -2.747 4.250 9.130 1.00 0.00 O ATOM 487 CG2 THR A 34 -0.885 5.173 7.987 1.00 0.00 C ATOM 0 H THR A 34 -4.115 5.193 7.769 1.00 0.00 H new ATOM 0 HA THR A 34 -2.217 4.550 5.931 1.00 0.00 H new ATOM 0 HB THR A 34 -1.401 3.109 8.049 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.460 3.578 9.126 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.331 5.161 8.926 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.195 5.020 7.157 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.383 6.135 7.872 1.00 0.00 H new ATOM 495 N LEU A 35 -2.366 2.260 5.098 1.00 0.00 N ATOM 496 CA LEU A 35 -2.424 0.914 4.551 1.00 0.00 C ATOM 497 C LEU A 35 -1.153 0.156 4.906 1.00 0.00 C ATOM 498 O LEU A 35 -1.196 -1.027 5.240 1.00 0.00 O ATOM 499 CB LEU A 35 -2.606 0.959 3.032 1.00 0.00 C ATOM 500 CG LEU A 35 -3.959 1.493 2.557 1.00 0.00 C ATOM 501 CD1 LEU A 35 -4.146 1.226 1.073 1.00 0.00 C ATOM 502 CD2 LEU A 35 -5.090 0.866 3.359 1.00 0.00 C ATOM 0 H LEU A 35 -1.886 2.935 4.503 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.280 0.397 4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.818 1.579 2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.470 -0.047 2.635 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.980 2.571 2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.114 1.613 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.354 1.721 0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.105 0.153 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.045 1.257 3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.071 -0.216 3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.965 1.107 4.415 1.00 0.00 H new ATOM 514 N ILE A 36 -0.022 0.858 4.849 1.00 0.00 N ATOM 515 CA ILE A 36 1.269 0.264 5.182 1.00 0.00 C ATOM 516 C ILE A 36 2.310 1.335 5.490 1.00 0.00 C ATOM 517 O ILE A 36 2.010 2.528 5.479 1.00 0.00 O ATOM 518 CB ILE A 36 1.804 -0.655 4.055 1.00 0.00 C ATOM 519 CG1 ILE A 36 1.763 0.014 2.671 1.00 0.00 C ATOM 520 CG2 ILE A 36 1.007 -1.942 4.027 1.00 0.00 C ATOM 521 CD1 ILE A 36 2.043 1.502 2.664 1.00 0.00 C ATOM 0 H ILE A 36 0.025 1.839 4.575 1.00 0.00 H new ATOM 0 HA ILE A 36 1.100 -0.345 6.070 1.00 0.00 H new ATOM 0 HB ILE A 36 2.851 -0.863 4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.490 -0.479 2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.780 -0.156 2.232 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.385 -2.587 3.234 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.104 -2.451 4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.043 -1.716 3.841 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.990 1.877 1.642 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.302 2.015 3.277 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.039 1.687 3.068 1.00 0.00 H new ATOM 533 N THR A 37 3.535 0.899 5.745 1.00 0.00 N ATOM 534 CA THR A 37 4.629 1.811 6.034 1.00 0.00 C ATOM 535 C THR A 37 5.915 1.289 5.403 1.00 0.00 C ATOM 536 O THR A 37 6.463 0.277 5.833 1.00 0.00 O ATOM 537 CB THR A 37 4.795 1.988 7.544 1.00 0.00 C ATOM 538 OG1 THR A 37 3.640 2.585 8.106 1.00 0.00 O ATOM 539 CG2 THR A 37 5.982 2.847 7.922 1.00 0.00 C ATOM 0 H THR A 37 3.796 -0.087 5.757 1.00 0.00 H new ATOM 0 HA THR A 37 4.401 2.787 5.606 1.00 0.00 H new ATOM 0 HB THR A 37 4.955 0.984 7.936 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.763 2.689 9.073 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.040 2.930 9.007 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.897 2.390 7.544 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.866 3.840 7.487 1.00 0.00 H new ATOM 547 N LEU A 38 6.372 1.972 4.359 1.00 0.00 N ATOM 548 CA LEU A 38 7.576 1.568 3.644 1.00 0.00 C ATOM 549 C LEU A 38 8.810 2.307 4.155 1.00 0.00 C ATOM 550 O LEU A 38 8.707 3.403 4.708 1.00 0.00 O ATOM 551 CB LEU A 38 7.397 1.836 2.152 1.00 0.00 C ATOM 552 CG LEU A 38 8.208 0.932 1.229 1.00 0.00 C ATOM 553 CD1 LEU A 38 7.403 -0.303 0.865 1.00 0.00 C ATOM 554 CD2 LEU A 38 8.622 1.695 -0.021 1.00 0.00 C ATOM 0 H LEU A 38 5.925 2.811 3.989 1.00 0.00 H new ATOM 0 HA LEU A 38 7.729 0.503 3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.341 1.729 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.668 2.872 1.950 1.00 0.00 H new ATOM 0 HG LEU A 38 9.110 0.611 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.992 -0.940 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.151 -0.853 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.487 -0.003 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.200 1.040 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.732 2.038 -0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.230 2.554 0.262 1.00 0.00 H new ATOM 566 N GLU A 39 9.977 1.700 3.956 1.00 0.00 N ATOM 567 CA GLU A 39 11.238 2.300 4.383 1.00 0.00 C ATOM 568 C GLU A 39 12.420 1.578 3.746 1.00 0.00 C ATOM 569 O GLU A 39 12.389 0.363 3.550 1.00 0.00 O ATOM 570 CB GLU A 39 11.368 2.263 5.906 1.00 0.00 C ATOM 571 CG GLU A 39 12.679 2.838 6.416 1.00 0.00 C ATOM 572 CD GLU A 39 13.012 2.374 7.820 1.00 0.00 C ATOM 573 OE1 GLU A 39 12.522 1.297 8.221 1.00 0.00 O ATOM 574 OE2 GLU A 39 13.764 3.085 8.520 1.00 0.00 O ATOM 0 H GLU A 39 10.076 0.792 3.501 1.00 0.00 H new ATOM 0 HA GLU A 39 11.242 3.340 4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.541 2.819 6.347 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.276 1.231 6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.485 2.549 5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.625 3.927 6.400 1.00 0.00 H new ATOM 581 N THR A 40 13.462 2.335 3.422 1.00 0.00 N ATOM 582 CA THR A 40 14.656 1.771 2.806 1.00 0.00 C ATOM 583 C THR A 40 15.796 1.682 3.811 1.00 0.00 C ATOM 584 O THR A 40 16.315 0.600 4.088 1.00 0.00 O ATOM 585 CB THR A 40 15.080 2.621 1.607 1.00 0.00 C ATOM 586 OG1 THR A 40 15.837 3.743 2.029 1.00 0.00 O ATOM 587 CG2 THR A 40 13.911 3.137 0.798 1.00 0.00 C ATOM 0 H THR A 40 13.504 3.342 3.576 1.00 0.00 H new ATOM 0 HA THR A 40 14.420 0.763 2.465 1.00 0.00 H new ATOM 0 HB THR A 40 15.674 1.957 0.978 1.00 0.00 H new ATOM 0 HG1 THR A 40 16.100 4.273 1.248 1.00 0.00 H new ATOM 0 HG21 THR A 40 14.281 3.732 -0.037 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.333 2.295 0.416 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.275 3.756 1.431 1.00 0.00 H new ATOM 595 N ASP A 41 16.178 2.829 4.353 1.00 0.00 N ATOM 596 CA ASP A 41 17.258 2.896 5.331 1.00 0.00 C ATOM 597 C ASP A 41 17.400 4.309 5.885 1.00 0.00 C ATOM 598 O ASP A 41 17.672 4.496 7.071 1.00 0.00 O ATOM 599 CB ASP A 41 18.576 2.446 4.699 1.00 0.00 C ATOM 600 CG ASP A 41 18.877 3.178 3.406 1.00 0.00 C ATOM 601 OD1 ASP A 41 19.178 4.388 3.466 1.00 0.00 O ATOM 602 OD2 ASP A 41 18.812 2.541 2.334 1.00 0.00 O ATOM 0 H ASP A 41 15.755 3.730 4.132 1.00 0.00 H new ATOM 0 HA ASP A 41 17.013 2.225 6.154 1.00 0.00 H new ATOM 0 HB2 ASP A 41 19.390 2.612 5.405 1.00 0.00 H new ATOM 0 HB3 ASP A 41 18.536 1.374 4.505 1.00 0.00 H new ATOM 607 N LYS A 42 17.217 5.302 5.019 1.00 0.00 N ATOM 608 CA LYS A 42 17.329 6.698 5.427 1.00 0.00 C ATOM 609 C LYS A 42 16.055 7.470 5.089 1.00 0.00 C ATOM 610 O LYS A 42 16.109 8.645 4.727 1.00 0.00 O ATOM 611 CB LYS A 42 18.532 7.354 4.748 1.00 0.00 C ATOM 612 CG LYS A 42 19.553 7.910 5.726 1.00 0.00 C ATOM 613 CD LYS A 42 20.427 6.808 6.305 1.00 0.00 C ATOM 614 CE LYS A 42 21.895 7.032 5.980 1.00 0.00 C ATOM 615 NZ LYS A 42 22.469 8.163 6.760 1.00 0.00 N ATOM 0 H LYS A 42 16.991 5.166 4.034 1.00 0.00 H new ATOM 0 HA LYS A 42 17.471 6.724 6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 42 19.019 6.622 4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 42 18.181 8.161 4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 42 20.179 8.645 5.221 1.00 0.00 H new ATOM 0 HG3 LYS A 42 19.039 8.430 6.534 1.00 0.00 H new ATOM 0 HD2 LYS A 42 20.295 6.768 7.386 1.00 0.00 H new ATOM 0 HD3 LYS A 42 20.109 5.844 5.909 1.00 0.00 H new ATOM 0 HE2 LYS A 42 22.457 6.122 6.192 1.00 0.00 H new ATOM 0 HE3 LYS A 42 22.005 7.233 4.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 23.471 8.284 6.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 21.949 9.036 6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 22.388 7.960 7.777 1.00 0.00 H new ATOM 629 N ALA A 43 14.913 6.803 5.211 1.00 0.00 N ATOM 630 CA ALA A 43 13.629 7.429 4.919 1.00 0.00 C ATOM 631 C ALA A 43 12.482 6.435 5.071 1.00 0.00 C ATOM 632 O ALA A 43 12.537 5.323 4.546 1.00 0.00 O ATOM 633 CB ALA A 43 13.636 8.018 3.517 1.00 0.00 C ATOM 0 H ALA A 43 14.850 5.830 5.510 1.00 0.00 H new ATOM 0 HA ALA A 43 13.475 8.232 5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.671 8.482 3.312 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.423 8.768 3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.819 7.226 2.791 1.00 0.00 H new ATOM 639 N THR A 44 11.441 6.845 5.789 1.00 0.00 N ATOM 640 CA THR A 44 10.278 5.994 6.009 1.00 0.00 C ATOM 641 C THR A 44 9.018 6.638 5.439 1.00 0.00 C ATOM 642 O THR A 44 8.595 7.701 5.892 1.00 0.00 O ATOM 643 CB THR A 44 10.086 5.725 7.503 1.00 0.00 C ATOM 644 OG1 THR A 44 9.936 6.940 8.215 1.00 0.00 O ATOM 645 CG2 THR A 44 11.235 4.966 8.130 1.00 0.00 C ATOM 0 H THR A 44 11.380 7.763 6.229 1.00 0.00 H new ATOM 0 HA THR A 44 10.453 5.049 5.495 1.00 0.00 H new ATOM 0 HB THR A 44 9.188 5.111 7.571 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.512 7.608 7.636 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.033 4.810 9.190 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.346 4.001 7.636 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.155 5.540 8.017 1.00 0.00 H new ATOM 653 N MET A 45 8.423 5.989 4.444 1.00 0.00 N ATOM 654 CA MET A 45 7.212 6.507 3.817 1.00 0.00 C ATOM 655 C MET A 45 6.079 5.487 3.876 1.00 0.00 C ATOM 656 O MET A 45 6.245 4.335 3.477 1.00 0.00 O ATOM 657 CB MET A 45 7.489 6.897 2.364 1.00 0.00 C ATOM 658 CG MET A 45 6.800 8.184 1.941 1.00 0.00 C ATOM 659 SD MET A 45 5.034 8.180 2.306 1.00 0.00 S ATOM 660 CE MET A 45 4.887 9.680 3.275 1.00 0.00 C ATOM 0 H MET A 45 8.757 5.107 4.056 1.00 0.00 H new ATOM 0 HA MET A 45 6.902 7.393 4.372 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.564 7.007 2.224 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.163 6.088 1.710 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.270 9.027 2.448 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.945 8.335 0.871 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.849 9.818 3.577 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.516 9.603 4.162 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.207 10.533 2.676 1.00 0.00 H new ATOM 670 N ASP A 46 4.926 5.923 4.375 1.00 0.00 N ATOM 671 CA ASP A 46 3.759 5.055 4.487 1.00 0.00 C ATOM 672 C ASP A 46 2.650 5.518 3.551 1.00 0.00 C ATOM 673 O ASP A 46 2.765 6.562 2.908 1.00 0.00 O ATOM 674 CB ASP A 46 3.248 5.034 5.930 1.00 0.00 C ATOM 675 CG ASP A 46 3.244 6.414 6.560 1.00 0.00 C ATOM 676 OD1 ASP A 46 2.534 7.300 6.042 1.00 0.00 O ATOM 677 OD2 ASP A 46 3.951 6.605 7.572 1.00 0.00 O ATOM 0 H ASP A 46 4.775 6.875 4.709 1.00 0.00 H new ATOM 0 HA ASP A 46 4.057 4.046 4.201 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.238 4.625 5.949 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.873 4.367 6.525 1.00 0.00 H new ATOM 682 N VAL A 47 1.574 4.741 3.477 1.00 0.00 N ATOM 683 CA VAL A 47 0.450 5.087 2.616 1.00 0.00 C ATOM 684 C VAL A 47 -0.833 5.241 3.428 1.00 0.00 C ATOM 685 O VAL A 47 -1.313 4.275 4.019 1.00 0.00 O ATOM 686 CB VAL A 47 0.226 4.025 1.518 1.00 0.00 C ATOM 687 CG1 VAL A 47 -1.036 4.328 0.717 1.00 0.00 C ATOM 688 CG2 VAL A 47 1.437 3.946 0.602 1.00 0.00 C ATOM 0 H VAL A 47 1.457 3.873 4.000 1.00 0.00 H new ATOM 0 HA VAL A 47 0.697 6.037 2.142 1.00 0.00 H new ATOM 0 HB VAL A 47 0.094 3.057 2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.172 3.566 -0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.898 4.330 1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.941 5.306 0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.263 3.193 -0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.600 4.915 0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.317 3.673 1.185 1.00 0.00 H new ATOM 698 N PRO A 48 -1.412 6.457 3.458 1.00 0.00 N ATOM 699 CA PRO A 48 -2.645 6.731 4.189 1.00 0.00 C ATOM 700 C PRO A 48 -3.891 6.448 3.353 1.00 0.00 C ATOM 701 O PRO A 48 -4.882 7.175 3.438 1.00 0.00 O ATOM 702 CB PRO A 48 -2.526 8.222 4.480 1.00 0.00 C ATOM 703 CG PRO A 48 -1.793 8.776 3.303 1.00 0.00 C ATOM 704 CD PRO A 48 -0.912 7.666 2.775 1.00 0.00 C ATOM 0 HA PRO A 48 -2.756 6.106 5.075 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.507 8.684 4.590 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.982 8.403 5.407 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.491 9.113 2.537 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.195 9.640 3.592 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.992 7.574 1.692 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.138 7.848 3.003 1.00 0.00 H new ATOM 712 N ALA A 49 -3.836 5.393 2.542 1.00 0.00 N ATOM 713 CA ALA A 49 -4.960 5.020 1.690 1.00 0.00 C ATOM 714 C ALA A 49 -5.520 6.234 0.957 1.00 0.00 C ATOM 715 O ALA A 49 -6.371 6.951 1.482 1.00 0.00 O ATOM 716 CB ALA A 49 -6.050 4.354 2.511 1.00 0.00 C ATOM 0 H ALA A 49 -3.024 4.782 2.458 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.596 4.311 0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.881 4.082 1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.652 3.457 2.985 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.401 5.044 3.278 1.00 0.00 H new ATOM 722 N GLU A 50 -5.034 6.458 -0.256 1.00 0.00 N ATOM 723 CA GLU A 50 -5.485 7.586 -1.058 1.00 0.00 C ATOM 724 C GLU A 50 -6.622 7.174 -1.974 1.00 0.00 C ATOM 725 O GLU A 50 -6.493 7.208 -3.197 1.00 0.00 O ATOM 726 CB GLU A 50 -4.324 8.159 -1.875 1.00 0.00 C ATOM 727 CG GLU A 50 -4.246 9.676 -1.841 1.00 0.00 C ATOM 728 CD GLU A 50 -5.381 10.336 -2.599 1.00 0.00 C ATOM 729 OE1 GLU A 50 -5.235 10.549 -3.821 1.00 0.00 O ATOM 730 OE2 GLU A 50 -6.417 10.640 -1.970 1.00 0.00 O ATOM 0 H GLU A 50 -4.328 5.874 -0.705 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.852 8.359 -0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.388 7.747 -1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.423 7.832 -2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.262 10.014 -0.805 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.295 9.997 -2.267 1.00 0.00 H new ATOM 737 N VAL A 51 -7.734 6.769 -1.366 1.00 0.00 N ATOM 738 CA VAL A 51 -8.904 6.326 -2.115 1.00 0.00 C ATOM 739 C VAL A 51 -9.855 5.548 -1.204 1.00 0.00 C ATOM 740 O VAL A 51 -9.424 4.877 -0.268 1.00 0.00 O ATOM 741 CB VAL A 51 -8.487 5.443 -3.323 1.00 0.00 C ATOM 742 CG1 VAL A 51 -7.342 4.514 -2.935 1.00 0.00 C ATOM 743 CG2 VAL A 51 -9.667 4.649 -3.882 1.00 0.00 C ATOM 0 H VAL A 51 -7.848 6.739 -0.353 1.00 0.00 H new ATOM 0 HA VAL A 51 -9.417 7.210 -2.494 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.143 6.109 -4.115 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.063 3.903 -3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.484 5.107 -2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.659 3.867 -2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.332 4.045 -4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.068 3.998 -3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.444 5.337 -4.215 1.00 0.00 H new ATOM 753 N ALA A 52 -11.147 5.640 -1.496 1.00 0.00 N ATOM 754 CA ALA A 52 -12.163 4.941 -0.718 1.00 0.00 C ATOM 755 C ALA A 52 -12.530 3.626 -1.387 1.00 0.00 C ATOM 756 O ALA A 52 -11.861 3.200 -2.323 1.00 0.00 O ATOM 757 CB ALA A 52 -13.404 5.806 -0.573 1.00 0.00 C ATOM 0 H ALA A 52 -11.517 6.194 -2.269 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.756 4.734 0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.154 5.271 0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.143 6.734 -0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.806 6.034 -1.560 1.00 0.00 H new ATOM 763 N GLY A 53 -13.605 2.997 -0.910 1.00 0.00 N ATOM 764 CA GLY A 53 -14.056 1.744 -1.497 1.00 0.00 C ATOM 765 C GLY A 53 -13.680 0.519 -0.689 1.00 0.00 C ATOM 766 O GLY A 53 -13.636 0.559 0.538 1.00 0.00 O ATOM 0 H GLY A 53 -14.170 3.332 -0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.140 1.775 -1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.635 1.650 -2.498 1.00 0.00 H new ATOM 770 N VAL A 54 -13.417 -0.580 -1.392 1.00 0.00 N ATOM 771 CA VAL A 54 -13.052 -1.839 -0.755 1.00 0.00 C ATOM 772 C VAL A 54 -11.931 -2.529 -1.525 1.00 0.00 C ATOM 773 O VAL A 54 -11.967 -2.599 -2.753 1.00 0.00 O ATOM 774 CB VAL A 54 -14.261 -2.788 -0.672 1.00 0.00 C ATOM 775 CG1 VAL A 54 -13.867 -4.110 -0.029 1.00 0.00 C ATOM 776 CG2 VAL A 54 -15.400 -2.134 0.094 1.00 0.00 C ATOM 0 H VAL A 54 -13.451 -0.622 -2.411 1.00 0.00 H new ATOM 0 HA VAL A 54 -12.710 -1.606 0.254 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.604 -2.995 -1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.737 -4.765 0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.087 -4.586 -0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -13.494 -3.928 0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.246 -2.819 0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.069 -1.894 1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -15.703 -1.219 -0.415 1.00 0.00 H new ATOM 786 N VAL A 55 -10.936 -3.036 -0.805 1.00 0.00 N ATOM 787 CA VAL A 55 -9.812 -3.712 -1.441 1.00 0.00 C ATOM 788 C VAL A 55 -10.234 -5.029 -2.076 1.00 0.00 C ATOM 789 O VAL A 55 -11.115 -5.725 -1.573 1.00 0.00 O ATOM 790 CB VAL A 55 -8.664 -3.992 -0.452 1.00 0.00 C ATOM 791 CG1 VAL A 55 -7.496 -4.669 -1.164 1.00 0.00 C ATOM 792 CG2 VAL A 55 -8.212 -2.702 0.218 1.00 0.00 C ATOM 0 H VAL A 55 -10.885 -2.992 0.213 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.457 -3.030 -2.214 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.030 -4.669 0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.695 -4.859 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.830 -5.613 -1.594 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.128 -4.019 -1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.401 -2.918 0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.863 -2.001 -0.540 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.048 -2.262 0.761 1.00 0.00 H new ATOM 802 N LYS A 56 -9.576 -5.365 -3.175 1.00 0.00 N ATOM 803 CA LYS A 56 -9.843 -6.605 -3.889 1.00 0.00 C ATOM 804 C LYS A 56 -8.593 -7.454 -3.899 1.00 0.00 C ATOM 805 O LYS A 56 -8.618 -8.637 -3.562 1.00 0.00 O ATOM 806 CB LYS A 56 -10.269 -6.353 -5.342 1.00 0.00 C ATOM 807 CG LYS A 56 -10.462 -4.888 -5.708 1.00 0.00 C ATOM 808 CD LYS A 56 -11.864 -4.411 -5.369 1.00 0.00 C ATOM 809 CE LYS A 56 -12.918 -5.172 -6.158 1.00 0.00 C ATOM 810 NZ LYS A 56 -13.677 -6.122 -5.298 1.00 0.00 N ATOM 0 H LYS A 56 -8.846 -4.790 -3.595 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.659 -7.111 -3.374 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.518 -6.782 -6.005 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.202 -6.885 -5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.731 -4.279 -5.176 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.277 -4.750 -6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.045 -4.538 -4.302 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.948 -3.345 -5.581 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.610 -4.465 -6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.439 -5.720 -6.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.972 -6.943 -5.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.072 -6.441 -4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.518 -5.646 -4.914 1.00 0.00 H new ATOM 824 N GLU A 57 -7.494 -6.834 -4.305 1.00 0.00 N ATOM 825 CA GLU A 57 -6.230 -7.526 -4.375 1.00 0.00 C ATOM 826 C GLU A 57 -5.187 -6.874 -3.471 1.00 0.00 C ATOM 827 O GLU A 57 -5.373 -5.755 -2.994 1.00 0.00 O ATOM 828 CB GLU A 57 -5.723 -7.569 -5.817 1.00 0.00 C ATOM 829 CG GLU A 57 -6.235 -8.761 -6.608 1.00 0.00 C ATOM 830 CD GLU A 57 -6.644 -8.392 -8.020 1.00 0.00 C ATOM 831 OE1 GLU A 57 -5.828 -7.766 -8.730 1.00 0.00 O ATOM 832 OE2 GLU A 57 -7.781 -8.726 -8.417 1.00 0.00 O ATOM 0 H GLU A 57 -7.459 -5.855 -4.589 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.391 -8.545 -4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.021 -6.652 -6.325 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.633 -7.590 -5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.460 -9.527 -6.647 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.088 -9.197 -6.089 1.00 0.00 H new ATOM 839 N VAL A 58 -4.091 -7.587 -3.246 1.00 0.00 N ATOM 840 CA VAL A 58 -3.006 -7.094 -2.406 1.00 0.00 C ATOM 841 C VAL A 58 -1.680 -7.709 -2.839 1.00 0.00 C ATOM 842 O VAL A 58 -1.608 -8.896 -3.157 1.00 0.00 O ATOM 843 CB VAL A 58 -3.257 -7.414 -0.921 1.00 0.00 C ATOM 844 CG1 VAL A 58 -3.506 -8.901 -0.731 1.00 0.00 C ATOM 845 CG2 VAL A 58 -2.088 -6.945 -0.067 1.00 0.00 C ATOM 0 H VAL A 58 -3.929 -8.515 -3.636 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.963 -6.011 -2.525 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.149 -6.877 -0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.681 -9.109 0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.380 -9.200 -1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.636 -9.462 -1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.284 -7.180 0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.177 -7.451 -0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.964 -5.868 -0.180 1.00 0.00 H new ATOM 855 N LYS A 59 -0.640 -6.889 -2.861 1.00 0.00 N ATOM 856 CA LYS A 59 0.682 -7.342 -3.268 1.00 0.00 C ATOM 857 C LYS A 59 1.751 -6.709 -2.389 1.00 0.00 C ATOM 858 O LYS A 59 2.632 -6.001 -2.876 1.00 0.00 O ATOM 859 CB LYS A 59 0.937 -6.983 -4.734 1.00 0.00 C ATOM 860 CG LYS A 59 -0.312 -7.012 -5.608 1.00 0.00 C ATOM 861 CD LYS A 59 -0.558 -8.392 -6.195 1.00 0.00 C ATOM 862 CE LYS A 59 -1.904 -8.461 -6.901 1.00 0.00 C ATOM 863 NZ LYS A 59 -1.835 -9.268 -8.150 1.00 0.00 N ATOM 0 H LYS A 59 -0.686 -5.904 -2.601 1.00 0.00 H new ATOM 0 HA LYS A 59 0.726 -8.425 -3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.378 -5.987 -4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.671 -7.677 -5.144 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.176 -6.709 -5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.208 -6.287 -6.415 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.237 -8.637 -6.899 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.522 -9.139 -5.402 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.645 -8.895 -6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.241 -7.452 -7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.772 -9.291 -8.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.147 -8.840 -8.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.538 -10.238 -7.921 1.00 0.00 H new ATOM 877 N VAL A 60 1.660 -6.960 -1.090 1.00 0.00 N ATOM 878 CA VAL A 60 2.611 -6.403 -0.138 1.00 0.00 C ATOM 879 C VAL A 60 2.648 -7.240 1.140 1.00 0.00 C ATOM 880 O VAL A 60 1.626 -7.758 1.592 1.00 0.00 O ATOM 881 CB VAL A 60 2.280 -4.909 0.176 1.00 0.00 C ATOM 882 CG1 VAL A 60 0.794 -4.625 -0.022 1.00 0.00 C ATOM 883 CG2 VAL A 60 2.717 -4.494 1.582 1.00 0.00 C ATOM 0 H VAL A 60 0.937 -7.546 -0.671 1.00 0.00 H new ATOM 0 HA VAL A 60 3.602 -6.434 -0.590 1.00 0.00 H new ATOM 0 HB VAL A 60 2.853 -4.309 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.590 -3.578 0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.518 -4.834 -1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.210 -5.260 0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.463 -3.447 1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.205 -5.112 2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.794 -4.626 1.682 1.00 0.00 H new ATOM 893 N LYS A 61 3.841 -7.364 1.710 1.00 0.00 N ATOM 894 CA LYS A 61 4.037 -8.134 2.934 1.00 0.00 C ATOM 895 C LYS A 61 5.135 -7.513 3.794 1.00 0.00 C ATOM 896 O LYS A 61 5.652 -6.442 3.476 1.00 0.00 O ATOM 897 CB LYS A 61 4.397 -9.584 2.598 1.00 0.00 C ATOM 898 CG LYS A 61 3.277 -10.350 1.912 1.00 0.00 C ATOM 899 CD LYS A 61 2.388 -11.060 2.920 1.00 0.00 C ATOM 900 CE LYS A 61 2.537 -12.570 2.827 1.00 0.00 C ATOM 901 NZ LYS A 61 1.305 -13.219 2.302 1.00 0.00 N ATOM 0 H LYS A 61 4.692 -6.939 1.342 1.00 0.00 H new ATOM 0 HA LYS A 61 3.104 -8.120 3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.277 -9.591 1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.670 -10.103 3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.676 -9.662 1.317 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.703 -11.080 1.223 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.642 -10.730 3.927 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.348 -10.785 2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.379 -12.812 2.179 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.768 -12.973 3.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.448 -14.248 2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.506 -13.010 2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.099 -12.854 1.350 1.00 0.00 H new ATOM 915 N VAL A 62 5.488 -8.193 4.880 1.00 0.00 N ATOM 916 CA VAL A 62 6.526 -7.707 5.782 1.00 0.00 C ATOM 917 C VAL A 62 7.866 -8.374 5.489 1.00 0.00 C ATOM 918 O VAL A 62 8.165 -9.445 6.017 1.00 0.00 O ATOM 919 CB VAL A 62 6.154 -7.960 7.256 1.00 0.00 C ATOM 920 CG1 VAL A 62 7.235 -7.421 8.180 1.00 0.00 C ATOM 921 CG2 VAL A 62 4.806 -7.339 7.583 1.00 0.00 C ATOM 0 H VAL A 62 5.071 -9.082 5.157 1.00 0.00 H new ATOM 0 HA VAL A 62 6.612 -6.633 5.614 1.00 0.00 H new ATOM 0 HB VAL A 62 6.078 -9.036 7.411 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.955 -7.609 9.216 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.180 -7.919 7.964 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.346 -6.348 8.023 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.562 -7.529 8.628 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.849 -6.264 7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.039 -7.778 6.946 1.00 0.00 H new ATOM 931 N GLY A 63 8.671 -7.734 4.647 1.00 0.00 N ATOM 932 CA GLY A 63 9.970 -8.281 4.303 1.00 0.00 C ATOM 933 C GLY A 63 10.077 -8.652 2.837 1.00 0.00 C ATOM 934 O GLY A 63 10.728 -9.636 2.486 1.00 0.00 O ATOM 0 H GLY A 63 8.447 -6.847 4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.743 -7.552 4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.161 -9.164 4.912 1.00 0.00 H new ATOM 938 N ASP A 64 9.438 -7.863 1.980 1.00 0.00 N ATOM 939 CA ASP A 64 9.466 -8.115 0.544 1.00 0.00 C ATOM 940 C ASP A 64 10.094 -6.942 -0.204 1.00 0.00 C ATOM 941 O ASP A 64 10.376 -5.898 0.384 1.00 0.00 O ATOM 942 CB ASP A 64 8.051 -8.370 0.021 1.00 0.00 C ATOM 943 CG ASP A 64 7.068 -7.300 0.457 1.00 0.00 C ATOM 944 OD1 ASP A 64 7.418 -6.503 1.353 1.00 0.00 O ATOM 945 OD2 ASP A 64 5.950 -7.259 -0.096 1.00 0.00 O ATOM 0 H ASP A 64 8.895 -7.044 2.254 1.00 0.00 H new ATOM 0 HA ASP A 64 10.076 -9.002 0.369 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.073 -8.417 -1.068 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.706 -9.341 0.375 1.00 0.00 H new ATOM 950 N LYS A 65 10.306 -7.122 -1.504 1.00 0.00 N ATOM 951 CA LYS A 65 10.900 -6.081 -2.333 1.00 0.00 C ATOM 952 C LYS A 65 9.822 -5.278 -3.053 1.00 0.00 C ATOM 953 O LYS A 65 8.999 -5.836 -3.779 1.00 0.00 O ATOM 954 CB LYS A 65 11.862 -6.696 -3.352 1.00 0.00 C ATOM 955 CG LYS A 65 13.326 -6.482 -3.007 1.00 0.00 C ATOM 956 CD LYS A 65 13.947 -7.735 -2.414 1.00 0.00 C ATOM 957 CE LYS A 65 14.653 -7.438 -1.100 1.00 0.00 C ATOM 958 NZ LYS A 65 15.488 -8.585 -0.647 1.00 0.00 N ATOM 0 H LYS A 65 10.075 -7.980 -2.005 1.00 0.00 H new ATOM 0 HA LYS A 65 11.456 -5.406 -1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.666 -7.766 -3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.662 -6.268 -4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.874 -6.193 -3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.417 -5.659 -2.298 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.172 -8.484 -2.251 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.658 -8.160 -3.122 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.282 -6.555 -1.217 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.913 -7.203 -0.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.952 -8.343 0.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.885 -9.421 -0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.211 -8.793 -1.365 1.00 0.00 H new ATOM 972 N ILE A 66 9.825 -3.966 -2.840 1.00 0.00 N ATOM 973 CA ILE A 66 8.843 -3.089 -3.463 1.00 0.00 C ATOM 974 C ILE A 66 9.522 -1.905 -4.160 1.00 0.00 C ATOM 975 O ILE A 66 10.673 -1.584 -3.876 1.00 0.00 O ATOM 976 CB ILE A 66 7.788 -2.619 -2.412 1.00 0.00 C ATOM 977 CG1 ILE A 66 6.386 -2.959 -2.908 1.00 0.00 C ATOM 978 CG2 ILE A 66 7.891 -1.132 -2.066 1.00 0.00 C ATOM 979 CD1 ILE A 66 6.173 -4.443 -3.095 1.00 0.00 C ATOM 0 H ILE A 66 10.497 -3.488 -2.240 1.00 0.00 H new ATOM 0 HA ILE A 66 8.316 -3.652 -4.234 1.00 0.00 H new ATOM 0 HB ILE A 66 7.999 -3.156 -1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.652 -2.578 -2.197 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.207 -2.449 -3.855 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.128 -0.876 -1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.878 -0.922 -1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.740 -0.537 -2.967 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.158 -4.623 -3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.885 -4.823 -3.827 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.322 -4.955 -2.144 1.00 0.00 H new ATOM 991 N SER A 67 8.800 -1.265 -5.074 1.00 0.00 N ATOM 992 CA SER A 67 9.340 -0.124 -5.806 1.00 0.00 C ATOM 993 C SER A 67 8.328 1.016 -5.887 1.00 0.00 C ATOM 994 O SER A 67 7.188 0.819 -6.311 1.00 0.00 O ATOM 995 CB SER A 67 9.758 -0.549 -7.214 1.00 0.00 C ATOM 996 OG SER A 67 8.627 -0.741 -8.046 1.00 0.00 O ATOM 0 H SER A 67 7.844 -1.515 -5.325 1.00 0.00 H new ATOM 0 HA SER A 67 10.214 0.236 -5.263 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.408 0.210 -7.648 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.336 -1.472 -7.162 1.00 0.00 H new ATOM 0 HG SER A 67 7.862 -0.251 -7.677 1.00 0.00 H new ATOM 1002 N GLU A 68 8.756 2.210 -5.481 1.00 0.00 N ATOM 1003 CA GLU A 68 7.902 3.398 -5.507 1.00 0.00 C ATOM 1004 C GLU A 68 7.061 3.451 -6.783 1.00 0.00 C ATOM 1005 O GLU A 68 7.597 3.586 -7.884 1.00 0.00 O ATOM 1006 CB GLU A 68 8.756 4.666 -5.408 1.00 0.00 C ATOM 1007 CG GLU A 68 9.669 4.701 -4.192 1.00 0.00 C ATOM 1008 CD GLU A 68 10.526 5.951 -4.145 1.00 0.00 C ATOM 1009 OE1 GLU A 68 11.466 6.057 -4.961 1.00 0.00 O ATOM 1010 OE2 GLU A 68 10.257 6.824 -3.294 1.00 0.00 O ATOM 0 H GLU A 68 9.697 2.382 -5.127 1.00 0.00 H new ATOM 0 HA GLU A 68 7.229 3.341 -4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.363 4.754 -6.309 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.098 5.534 -5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.065 4.644 -3.286 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.314 3.822 -4.201 1.00 0.00 H new ATOM 1017 N GLY A 69 5.745 3.351 -6.629 1.00 0.00 N ATOM 1018 CA GLY A 69 4.861 3.398 -7.778 1.00 0.00 C ATOM 1019 C GLY A 69 4.625 2.033 -8.402 1.00 0.00 C ATOM 1020 O GLY A 69 5.006 1.799 -9.549 1.00 0.00 O ATOM 0 H GLY A 69 5.276 3.238 -5.730 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.904 3.824 -7.476 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.284 4.066 -8.528 1.00 0.00 H new ATOM 1024 N GLY A 70 3.989 1.131 -7.656 1.00 0.00 N ATOM 1025 CA GLY A 70 3.714 -0.194 -8.178 1.00 0.00 C ATOM 1026 C GLY A 70 2.283 -0.616 -7.929 1.00 0.00 C ATOM 1027 O GLY A 70 1.441 0.210 -7.580 1.00 0.00 O ATOM 0 H GLY A 70 3.661 1.295 -6.704 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.916 -0.211 -9.249 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.390 -0.913 -7.715 1.00 0.00 H new ATOM 1031 N LEU A 71 2.000 -1.901 -8.099 1.00 0.00 N ATOM 1032 CA LEU A 71 0.655 -2.412 -7.876 1.00 0.00 C ATOM 1033 C LEU A 71 0.588 -3.170 -6.558 1.00 0.00 C ATOM 1034 O LEU A 71 0.823 -4.376 -6.509 1.00 0.00 O ATOM 1035 CB LEU A 71 0.218 -3.318 -9.028 1.00 0.00 C ATOM 1036 CG LEU A 71 -1.285 -3.601 -9.091 1.00 0.00 C ATOM 1037 CD1 LEU A 71 -2.084 -2.326 -8.848 1.00 0.00 C ATOM 1038 CD2 LEU A 71 -1.655 -4.216 -10.432 1.00 0.00 C ATOM 0 H LEU A 71 2.680 -2.604 -8.389 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.027 -1.563 -7.830 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.526 -2.860 -9.968 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.748 -4.267 -8.946 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.533 -4.314 -8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.150 -2.550 -8.897 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.842 -1.927 -7.863 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.833 -1.588 -9.610 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.727 -4.411 -10.460 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.391 -3.527 -11.234 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.113 -5.152 -10.565 1.00 0.00 H new ATOM 1050 N ILE A 72 0.273 -2.448 -5.490 1.00 0.00 N ATOM 1051 CA ILE A 72 0.183 -3.042 -4.168 1.00 0.00 C ATOM 1052 C ILE A 72 -1.222 -3.605 -3.914 1.00 0.00 C ATOM 1053 O ILE A 72 -1.445 -4.807 -4.036 1.00 0.00 O ATOM 1054 CB ILE A 72 0.593 -2.009 -3.078 1.00 0.00 C ATOM 1055 CG1 ILE A 72 2.102 -2.072 -2.858 1.00 0.00 C ATOM 1056 CG2 ILE A 72 -0.135 -2.234 -1.749 1.00 0.00 C ATOM 1057 CD1 ILE A 72 2.728 -0.720 -2.617 1.00 0.00 C ATOM 0 H ILE A 72 0.076 -1.448 -5.517 1.00 0.00 H new ATOM 0 HA ILE A 72 0.881 -3.877 -4.115 1.00 0.00 H new ATOM 0 HB ILE A 72 0.303 -1.022 -3.439 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.311 -2.718 -2.006 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.570 -2.531 -3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.189 -1.486 -1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.210 -2.147 -1.904 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.098 -3.229 -1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.801 -0.837 -2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.549 -0.077 -3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.286 -0.267 -1.729 1.00 0.00 H new ATOM 1069 N VAL A 73 -2.160 -2.736 -3.548 1.00 0.00 N ATOM 1070 CA VAL A 73 -3.525 -3.170 -3.270 1.00 0.00 C ATOM 1071 C VAL A 73 -4.540 -2.452 -4.151 1.00 0.00 C ATOM 1072 O VAL A 73 -4.477 -1.237 -4.331 1.00 0.00 O ATOM 1073 CB VAL A 73 -3.896 -2.943 -1.790 1.00 0.00 C ATOM 1074 CG1 VAL A 73 -2.891 -3.625 -0.875 1.00 0.00 C ATOM 1075 CG2 VAL A 73 -3.987 -1.457 -1.481 1.00 0.00 C ATOM 0 H VAL A 73 -2.002 -1.734 -3.438 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.559 -4.237 -3.492 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.875 -3.387 -1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.170 -3.453 0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.884 -4.696 -1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.897 -3.215 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.250 -1.319 -0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.025 -0.985 -1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.752 -1.001 -2.110 1.00 0.00 H new ATOM 1085 N VAL A 74 -5.482 -3.217 -4.687 1.00 0.00 N ATOM 1086 CA VAL A 74 -6.527 -2.673 -5.543 1.00 0.00 C ATOM 1087 C VAL A 74 -7.841 -2.578 -4.779 1.00 0.00 C ATOM 1088 O VAL A 74 -8.140 -3.428 -3.940 1.00 0.00 O ATOM 1089 CB VAL A 74 -6.729 -3.553 -6.788 1.00 0.00 C ATOM 1090 CG1 VAL A 74 -7.741 -2.926 -7.735 1.00 0.00 C ATOM 1091 CG2 VAL A 74 -5.403 -3.796 -7.493 1.00 0.00 C ATOM 0 H VAL A 74 -5.543 -4.225 -4.542 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.215 -1.677 -5.859 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.124 -4.516 -6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.867 -3.566 -8.608 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.698 -2.816 -7.224 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.384 -1.946 -8.052 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.567 -4.421 -8.371 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.974 -2.842 -7.801 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.716 -4.300 -6.813 1.00 0.00 H new ATOM 1101 N VAL A 75 -8.621 -1.539 -5.058 1.00 0.00 N ATOM 1102 CA VAL A 75 -9.889 -1.345 -4.376 1.00 0.00 C ATOM 1103 C VAL A 75 -11.035 -1.115 -5.355 1.00 0.00 C ATOM 1104 O VAL A 75 -10.818 -0.840 -6.536 1.00 0.00 O ATOM 1105 CB VAL A 75 -9.812 -0.160 -3.404 1.00 0.00 C ATOM 1106 CG1 VAL A 75 -8.969 -0.518 -2.190 1.00 0.00 C ATOM 1107 CG2 VAL A 75 -9.257 1.071 -4.101 1.00 0.00 C ATOM 0 H VAL A 75 -8.396 -0.823 -5.749 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.088 -2.262 -3.821 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.822 0.069 -3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.926 0.335 -1.512 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.416 -1.369 -1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.960 -0.777 -2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -9.211 1.899 -3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.256 0.857 -4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.906 1.341 -4.934 1.00 0.00 H new ATOM 1117 N GLU A 76 -12.259 -1.229 -4.847 1.00 0.00 N ATOM 1118 CA GLU A 76 -13.456 -1.035 -5.656 1.00 0.00 C ATOM 1119 C GLU A 76 -13.802 0.448 -5.755 1.00 0.00 C ATOM 1120 O GLU A 76 -14.421 0.891 -6.723 1.00 0.00 O ATOM 1121 CB GLU A 76 -14.629 -1.816 -5.051 1.00 0.00 C ATOM 1122 CG GLU A 76 -15.975 -1.483 -5.674 1.00 0.00 C ATOM 1123 CD GLU A 76 -16.878 -2.696 -5.793 1.00 0.00 C ATOM 1124 OE1 GLU A 76 -16.940 -3.486 -4.828 1.00 0.00 O ATOM 1125 OE2 GLU A 76 -17.523 -2.855 -6.851 1.00 0.00 O ATOM 0 H GLU A 76 -12.447 -1.457 -3.871 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.262 -1.409 -6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.440 -2.883 -5.166 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.675 -1.614 -3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -16.472 -0.722 -5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.817 -1.054 -6.663 1.00 0.00 H new ATOM 1132 N ALA A 77 -13.389 1.209 -4.748 1.00 0.00 N ATOM 1133 CA ALA A 77 -13.640 2.642 -4.711 1.00 0.00 C ATOM 1134 C ALA A 77 -15.127 2.962 -4.708 1.00 0.00 C ATOM 1135 O ALA A 77 -15.845 2.665 -5.662 1.00 0.00 O ATOM 1136 CB ALA A 77 -12.931 3.328 -5.864 1.00 0.00 C ATOM 0 H ALA A 77 -12.875 0.853 -3.942 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.236 3.027 -3.775 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.126 4.400 -5.825 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.858 3.152 -5.788 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.299 2.926 -6.808 1.00 0.00 H new