USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=9 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 :FLIP amide:sc= 0.417 F(o=-0.22,f=0.42) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.073 USER MOD Single : A 37 THR OG1 : rot -71:sc= 0.815 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.259! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -7:sc= 0.843! USER MOD Single : A 45 MET CE :methyl -134:sc= 0 (180deg=-0.798) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -131:sc= 0.311 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 -12.565 1.313 -9.808 1.00 0.00 N ATOM 14 CA LEU A 2 -11.642 0.918 -8.747 1.00 0.00 C ATOM 15 C LEU A 2 -10.344 1.715 -8.834 1.00 0.00 C ATOM 16 O LEU A 2 -10.141 2.494 -9.765 1.00 0.00 O ATOM 17 CB LEU A 2 -11.333 -0.582 -8.831 1.00 0.00 C ATOM 18 CG LEU A 2 -12.359 -1.426 -9.592 1.00 0.00 C ATOM 19 CD1 LEU A 2 -12.070 -2.908 -9.402 1.00 0.00 C ATOM 20 CD2 LEU A 2 -13.771 -1.095 -9.136 1.00 0.00 C ATOM 0 HA LEU A 2 -12.121 1.129 -7.791 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -10.360 -0.708 -9.307 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -11.246 -0.974 -7.818 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.280 -1.190 -10.653 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -12.808 -3.496 -9.949 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -11.073 -3.136 -9.779 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.122 -3.156 -8.342 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -14.485 -1.706 -9.689 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -13.867 -1.301 -8.070 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -13.975 -0.041 -9.321 1.00 0.00 H new ATOM 32 N VAL A 3 -9.469 1.508 -7.856 1.00 0.00 N ATOM 33 CA VAL A 3 -8.186 2.199 -7.812 1.00 0.00 C ATOM 34 C VAL A 3 -7.039 1.191 -7.707 1.00 0.00 C ATOM 35 O VAL A 3 -7.249 0.034 -7.353 1.00 0.00 O ATOM 36 CB VAL A 3 -8.138 3.199 -6.624 1.00 0.00 C ATOM 37 CG1 VAL A 3 -6.708 3.552 -6.225 1.00 0.00 C ATOM 38 CG2 VAL A 3 -8.920 4.458 -6.966 1.00 0.00 C ATOM 0 H VAL A 3 -9.626 0.865 -7.080 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.071 2.763 -8.738 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.600 2.710 -5.766 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.726 4.253 -5.391 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.179 2.647 -5.927 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.196 4.008 -7.072 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.879 5.151 -6.126 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.484 4.929 -7.847 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.958 4.197 -7.171 1.00 0.00 H new ATOM 48 N GLU A 4 -5.830 1.648 -8.012 1.00 0.00 N ATOM 49 CA GLU A 4 -4.650 0.795 -7.947 1.00 0.00 C ATOM 50 C GLU A 4 -3.576 1.421 -7.061 1.00 0.00 C ATOM 51 O GLU A 4 -2.730 2.178 -7.537 1.00 0.00 O ATOM 52 CB GLU A 4 -4.094 0.556 -9.352 1.00 0.00 C ATOM 53 CG GLU A 4 -5.009 -0.274 -10.238 1.00 0.00 C ATOM 54 CD GLU A 4 -4.878 0.080 -11.706 1.00 0.00 C ATOM 55 OE1 GLU A 4 -5.590 1.000 -12.161 1.00 0.00 O ATOM 56 OE2 GLU A 4 -4.063 -0.562 -12.401 1.00 0.00 O ATOM 0 H GLU A 4 -5.641 2.606 -8.307 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.943 -0.160 -7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.915 1.519 -9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.129 0.055 -9.271 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.780 -1.331 -10.101 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.043 -0.128 -9.924 1.00 0.00 H new ATOM 63 N LEU A 5 -3.614 1.098 -5.771 1.00 0.00 N ATOM 64 CA LEU A 5 -2.641 1.630 -4.823 1.00 0.00 C ATOM 65 C LEU A 5 -1.221 1.398 -5.326 1.00 0.00 C ATOM 66 O LEU A 5 -0.964 0.451 -6.070 1.00 0.00 O ATOM 67 CB LEU A 5 -2.821 0.982 -3.447 1.00 0.00 C ATOM 68 CG LEU A 5 -3.109 1.957 -2.303 1.00 0.00 C ATOM 69 CD1 LEU A 5 -1.937 2.904 -2.102 1.00 0.00 C ATOM 70 CD2 LEU A 5 -4.387 2.736 -2.573 1.00 0.00 C ATOM 0 H LEU A 5 -4.306 0.472 -5.360 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.809 2.703 -4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.638 0.263 -3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.919 0.420 -3.206 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.246 1.382 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.160 3.590 -1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.043 2.330 -1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.767 3.472 -3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.575 3.424 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.280 3.300 -3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.223 2.043 -2.665 1.00 0.00 H new ATOM 82 N LYS A 6 -0.301 2.267 -4.923 1.00 0.00 N ATOM 83 CA LYS A 6 1.087 2.147 -5.346 1.00 0.00 C ATOM 84 C LYS A 6 2.051 2.466 -4.208 1.00 0.00 C ATOM 85 O LYS A 6 1.740 3.246 -3.309 1.00 0.00 O ATOM 86 CB LYS A 6 1.359 3.075 -6.532 1.00 0.00 C ATOM 87 CG LYS A 6 0.704 2.616 -7.825 1.00 0.00 C ATOM 88 CD LYS A 6 1.735 2.375 -8.916 1.00 0.00 C ATOM 89 CE LYS A 6 1.162 2.660 -10.295 1.00 0.00 C ATOM 90 NZ LYS A 6 1.427 1.548 -11.248 1.00 0.00 N ATOM 0 H LYS A 6 -0.491 3.058 -4.307 1.00 0.00 H new ATOM 0 HA LYS A 6 1.252 1.113 -5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.002 4.076 -6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.436 3.149 -6.686 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.143 1.699 -7.644 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.012 3.368 -8.159 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.604 3.010 -8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.080 1.342 -8.870 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.087 2.821 -10.215 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.594 3.582 -10.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.020 1.782 -12.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.453 1.411 -11.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.993 0.673 -10.890 1.00 0.00 H new ATOM 104 N VAL A 7 3.226 1.854 -4.271 1.00 0.00 N ATOM 105 CA VAL A 7 4.268 2.052 -3.270 1.00 0.00 C ATOM 106 C VAL A 7 4.464 3.540 -2.974 1.00 0.00 C ATOM 107 O VAL A 7 4.368 4.374 -3.875 1.00 0.00 O ATOM 108 CB VAL A 7 5.594 1.438 -3.763 1.00 0.00 C ATOM 109 CG1 VAL A 7 6.741 1.729 -2.805 1.00 0.00 C ATOM 110 CG2 VAL A 7 5.431 -0.060 -3.973 1.00 0.00 C ATOM 0 H VAL A 7 3.484 1.207 -5.016 1.00 0.00 H new ATOM 0 HA VAL A 7 3.958 1.555 -2.350 1.00 0.00 H new ATOM 0 HB VAL A 7 5.845 1.903 -4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.657 1.280 -3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.875 2.807 -2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.512 1.309 -1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.373 -0.483 -4.321 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.148 -0.531 -3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.655 -0.241 -4.717 1.00 0.00 H new ATOM 120 N PRO A 8 4.736 3.898 -1.705 1.00 0.00 N ATOM 121 CA PRO A 8 4.933 5.295 -1.315 1.00 0.00 C ATOM 122 C PRO A 8 6.238 5.874 -1.841 1.00 0.00 C ATOM 123 O PRO A 8 6.899 5.282 -2.695 1.00 0.00 O ATOM 124 CB PRO A 8 4.959 5.251 0.213 1.00 0.00 C ATOM 125 CG PRO A 8 5.378 3.859 0.553 1.00 0.00 C ATOM 126 CD PRO A 8 4.862 2.978 -0.555 1.00 0.00 C ATOM 0 HA PRO A 8 4.150 5.933 -1.725 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.658 5.983 0.617 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.979 5.481 0.631 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.463 3.788 0.632 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.967 3.554 1.515 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.550 2.161 -0.770 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.904 2.528 -0.295 1.00 0.00 H new ATOM 134 N ASP A 9 6.600 7.036 -1.316 1.00 0.00 N ATOM 135 CA ASP A 9 7.822 7.715 -1.713 1.00 0.00 C ATOM 136 C ASP A 9 8.942 7.424 -0.722 1.00 0.00 C ATOM 137 O ASP A 9 9.276 8.262 0.115 1.00 0.00 O ATOM 138 CB ASP A 9 7.571 9.218 -1.787 1.00 0.00 C ATOM 139 CG ASP A 9 7.530 9.730 -3.213 1.00 0.00 C ATOM 140 OD1 ASP A 9 8.579 9.686 -3.890 1.00 0.00 O ATOM 141 OD2 ASP A 9 6.450 10.175 -3.654 1.00 0.00 O ATOM 0 H ASP A 9 6.058 7.531 -0.608 1.00 0.00 H new ATOM 0 HA ASP A 9 8.125 7.349 -2.694 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.627 9.450 -1.294 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.354 9.741 -1.239 1.00 0.00 H new ATOM 146 N ILE A 10 9.516 6.232 -0.820 1.00 0.00 N ATOM 147 CA ILE A 10 10.596 5.836 0.073 1.00 0.00 C ATOM 148 C ILE A 10 11.943 6.266 -0.489 1.00 0.00 C ATOM 149 O ILE A 10 12.806 5.430 -0.753 1.00 0.00 O ATOM 150 CB ILE A 10 10.605 4.311 0.328 1.00 0.00 C ATOM 151 CG1 ILE A 10 10.273 3.536 -0.952 1.00 0.00 C ATOM 152 CG2 ILE A 10 9.621 3.954 1.433 1.00 0.00 C ATOM 153 CD1 ILE A 10 11.100 3.948 -2.151 1.00 0.00 C ATOM 0 H ILE A 10 9.253 5.525 -1.506 1.00 0.00 H new ATOM 0 HA ILE A 10 10.422 6.338 1.025 1.00 0.00 H new ATOM 0 HB ILE A 10 11.609 4.027 0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.421 2.472 -0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.218 3.675 -1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.638 2.877 1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.902 4.470 2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.617 4.259 1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.806 3.355 -3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.934 5.004 -2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.156 3.782 -1.939 1.00 0.00 H new ATOM 197 N GLU A 14 14.154 1.866 -6.330 1.00 0.00 N ATOM 198 CA GLU A 14 13.138 0.864 -6.634 1.00 0.00 C ATOM 199 C GLU A 14 13.596 -0.519 -6.186 1.00 0.00 C ATOM 200 O GLU A 14 13.783 -1.422 -7.003 1.00 0.00 O ATOM 201 CB GLU A 14 12.825 0.855 -8.131 1.00 0.00 C ATOM 202 CG GLU A 14 14.064 0.889 -9.011 1.00 0.00 C ATOM 203 CD GLU A 14 14.174 2.170 -9.814 1.00 0.00 C ATOM 204 OE1 GLU A 14 13.300 2.408 -10.675 1.00 0.00 O ATOM 205 OE2 GLU A 14 15.133 2.936 -9.582 1.00 0.00 O ATOM 0 HA GLU A 14 12.231 1.123 -6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.246 -0.038 -8.367 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.197 1.714 -8.368 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.951 0.778 -8.387 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.045 0.038 -9.692 1.00 0.00 H new ATOM 212 N ASN A 15 13.774 -0.670 -4.883 1.00 0.00 N ATOM 213 CA ASN A 15 14.209 -1.930 -4.300 1.00 0.00 C ATOM 214 C ASN A 15 14.305 -1.792 -2.788 1.00 0.00 C ATOM 215 O ASN A 15 15.364 -2.011 -2.198 1.00 0.00 O ATOM 216 CB ASN A 15 15.562 -2.349 -4.877 1.00 0.00 C ATOM 217 CG ASN A 15 16.516 -1.179 -5.021 1.00 0.00 C ATOM 218 OD1 ASN A 15 16.728 -0.737 -6.256 1.00 0.00 O flip ATOM 219 ND2 ASN A 15 17.056 -0.677 -4.036 1.00 0.00 N flip ATOM 0 H ASN A 15 13.622 0.074 -4.202 1.00 0.00 H new ATOM 0 HA ASN A 15 13.477 -2.700 -4.544 1.00 0.00 H new ATOM 0 HB2 ASN A 15 16.011 -3.103 -4.231 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.410 -2.813 -5.852 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.865 -1.048 -3.105 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.695 0.110 -4.150 1.00 0.00 H new ATOM 226 N VAL A 16 13.192 -1.414 -2.169 1.00 0.00 N ATOM 227 CA VAL A 16 13.149 -1.232 -0.727 1.00 0.00 C ATOM 228 C VAL A 16 12.390 -2.364 -0.053 1.00 0.00 C ATOM 229 O VAL A 16 11.975 -3.323 -0.704 1.00 0.00 O ATOM 230 CB VAL A 16 12.498 0.117 -0.354 1.00 0.00 C ATOM 231 CG1 VAL A 16 13.212 1.264 -1.052 1.00 0.00 C ATOM 232 CG2 VAL A 16 11.014 0.122 -0.701 1.00 0.00 C ATOM 0 H VAL A 16 12.309 -1.228 -2.645 1.00 0.00 H new ATOM 0 HA VAL A 16 14.180 -1.237 -0.372 1.00 0.00 H new ATOM 0 HB VAL A 16 12.594 0.252 0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 16 12.740 2.207 -0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 16 14.259 1.280 -0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 16 13.150 1.128 -2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.580 1.084 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.890 -0.041 -1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.509 -0.673 -0.152 1.00 0.00 H new ATOM 242 N ASP A 17 12.212 -2.249 1.255 1.00 0.00 N ATOM 243 CA ASP A 17 11.501 -3.263 2.017 1.00 0.00 C ATOM 244 C ASP A 17 10.352 -2.646 2.801 1.00 0.00 C ATOM 245 O ASP A 17 10.530 -1.648 3.502 1.00 0.00 O ATOM 246 CB ASP A 17 12.458 -3.976 2.973 1.00 0.00 C ATOM 247 CG ASP A 17 13.624 -4.619 2.252 1.00 0.00 C ATOM 248 OD1 ASP A 17 14.652 -3.937 2.057 1.00 0.00 O ATOM 249 OD2 ASP A 17 13.510 -5.807 1.880 1.00 0.00 O ATOM 0 H ASP A 17 12.551 -1.463 1.810 1.00 0.00 H new ATOM 0 HA ASP A 17 11.091 -3.989 1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.836 -3.261 3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.912 -4.739 3.527 1.00 0.00 H new ATOM 254 N ILE A 18 9.172 -3.245 2.685 1.00 0.00 N ATOM 255 CA ILE A 18 8.008 -2.752 3.394 1.00 0.00 C ATOM 256 C ILE A 18 8.202 -2.923 4.892 1.00 0.00 C ATOM 257 O ILE A 18 9.047 -3.701 5.334 1.00 0.00 O ATOM 258 CB ILE A 18 6.724 -3.478 2.939 1.00 0.00 C ATOM 259 CG1 ILE A 18 6.413 -3.112 1.491 1.00 0.00 C ATOM 260 CG2 ILE A 18 5.547 -3.124 3.841 1.00 0.00 C ATOM 261 CD1 ILE A 18 6.017 -4.295 0.637 1.00 0.00 C ATOM 0 H ILE A 18 9.001 -4.069 2.108 1.00 0.00 H new ATOM 0 HA ILE A 18 7.894 -1.693 3.163 1.00 0.00 H new ATOM 0 HB ILE A 18 6.888 -4.553 3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.607 -2.378 1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.288 -2.634 1.050 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.655 -3.649 3.498 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.772 -3.421 4.865 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.372 -2.049 3.805 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.811 -3.958 -0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.830 -5.020 0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.124 -4.761 1.053 1.00 0.00 H new ATOM 273 N ILE A 19 7.425 -2.189 5.667 1.00 0.00 N ATOM 274 CA ILE A 19 7.529 -2.264 7.120 1.00 0.00 C ATOM 275 C ILE A 19 6.164 -2.554 7.749 1.00 0.00 C ATOM 276 O ILE A 19 6.065 -3.296 8.725 1.00 0.00 O ATOM 277 CB ILE A 19 8.189 -0.971 7.728 1.00 0.00 C ATOM 278 CG1 ILE A 19 7.217 -0.150 8.590 1.00 0.00 C ATOM 279 CG2 ILE A 19 8.774 -0.085 6.628 1.00 0.00 C ATOM 280 CD1 ILE A 19 7.892 0.960 9.366 1.00 0.00 C ATOM 0 H ILE A 19 6.719 -1.538 5.322 1.00 0.00 H new ATOM 0 HA ILE A 19 8.191 -3.096 7.362 1.00 0.00 H new ATOM 0 HB ILE A 19 8.990 -1.321 8.380 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.449 0.281 7.948 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.711 -0.816 9.289 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.224 0.801 7.075 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.535 -0.640 6.080 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.981 0.217 5.944 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.148 1.499 9.952 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.641 0.534 10.034 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.374 1.648 8.672 1.00 0.00 H new ATOM 292 N ALA A 20 5.120 -1.961 7.182 1.00 0.00 N ATOM 293 CA ALA A 20 3.769 -2.153 7.685 1.00 0.00 C ATOM 294 C ALA A 20 2.881 -2.804 6.634 1.00 0.00 C ATOM 295 O ALA A 20 3.236 -2.867 5.457 1.00 0.00 O ATOM 296 CB ALA A 20 3.180 -0.822 8.117 1.00 0.00 C ATOM 0 H ALA A 20 5.185 -1.343 6.373 1.00 0.00 H new ATOM 0 HA ALA A 20 3.818 -2.819 8.547 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.168 -0.976 8.492 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.797 -0.390 8.905 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.151 -0.143 7.265 1.00 0.00 H new ATOM 302 N VAL A 21 1.721 -3.284 7.066 1.00 0.00 N ATOM 303 CA VAL A 21 0.777 -3.925 6.162 1.00 0.00 C ATOM 304 C VAL A 21 -0.628 -3.926 6.753 1.00 0.00 C ATOM 305 O VAL A 21 -0.874 -4.539 7.792 1.00 0.00 O ATOM 306 CB VAL A 21 1.192 -5.374 5.848 1.00 0.00 C ATOM 307 CG1 VAL A 21 1.169 -6.223 7.110 1.00 0.00 C ATOM 308 CG2 VAL A 21 0.284 -5.968 4.780 1.00 0.00 C ATOM 0 H VAL A 21 1.412 -3.241 8.037 1.00 0.00 H new ATOM 0 HA VAL A 21 0.781 -3.349 5.237 1.00 0.00 H new ATOM 0 HB VAL A 21 2.212 -5.366 5.464 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.465 -7.244 6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.863 -5.808 7.841 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.162 -6.227 7.528 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.591 -6.993 4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.747 -5.964 5.135 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.356 -5.374 3.869 1.00 0.00 H new ATOM 318 N GLU A 22 -1.547 -3.237 6.087 1.00 0.00 N ATOM 319 CA GLU A 22 -2.928 -3.160 6.550 1.00 0.00 C ATOM 320 C GLU A 22 -3.900 -3.356 5.393 1.00 0.00 C ATOM 321 O GLU A 22 -4.693 -2.469 5.078 1.00 0.00 O ATOM 322 CB GLU A 22 -3.187 -1.813 7.226 1.00 0.00 C ATOM 323 CG GLU A 22 -2.421 -1.627 8.525 1.00 0.00 C ATOM 324 CD GLU A 22 -3.304 -1.144 9.659 1.00 0.00 C ATOM 325 OE1 GLU A 22 -4.097 -1.955 10.180 1.00 0.00 O ATOM 326 OE2 GLU A 22 -3.201 0.046 10.025 1.00 0.00 O ATOM 0 H GLU A 22 -1.361 -2.724 5.225 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.087 -3.959 7.275 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.917 -1.012 6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.254 -1.716 7.426 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.958 -2.572 8.808 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.614 -0.911 8.367 1.00 0.00 H new ATOM 333 N VAL A 23 -3.832 -4.525 4.764 1.00 0.00 N ATOM 334 CA VAL A 23 -4.704 -4.840 3.641 1.00 0.00 C ATOM 335 C VAL A 23 -5.081 -6.319 3.637 1.00 0.00 C ATOM 336 O VAL A 23 -4.217 -7.190 3.538 1.00 0.00 O ATOM 337 CB VAL A 23 -4.037 -4.486 2.300 1.00 0.00 C ATOM 338 CG1 VAL A 23 -4.034 -2.979 2.084 1.00 0.00 C ATOM 339 CG2 VAL A 23 -2.620 -5.040 2.248 1.00 0.00 C ATOM 0 H VAL A 23 -3.181 -5.269 5.014 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.606 -4.240 3.759 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.614 -4.944 1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.558 -2.749 1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.060 -2.611 2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.482 -2.497 2.891 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.163 -4.781 1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.032 -4.612 3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.649 -6.124 2.354 1.00 0.00 H new ATOM 349 N ASN A 24 -6.376 -6.593 3.750 1.00 0.00 N ATOM 350 CA ASN A 24 -6.874 -7.965 3.763 1.00 0.00 C ATOM 351 C ASN A 24 -7.834 -8.213 2.605 1.00 0.00 C ATOM 352 O ASN A 24 -8.673 -9.111 2.662 1.00 0.00 O ATOM 353 CB ASN A 24 -7.587 -8.245 5.080 1.00 0.00 C ATOM 354 CG ASN A 24 -7.112 -9.525 5.739 1.00 0.00 C ATOM 355 OD1 ASN A 24 -5.932 -9.674 6.055 1.00 0.00 O ATOM 356 ND2 ASN A 24 -8.033 -10.459 5.950 1.00 0.00 N ATOM 0 H ASN A 24 -7.102 -5.882 3.834 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.021 -8.634 3.655 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.427 -7.409 5.761 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.660 -8.309 4.901 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.773 -11.342 6.390 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.000 -10.293 5.672 1.00 0.00 H new ATOM 363 N VAL A 25 -7.706 -7.406 1.563 1.00 0.00 N ATOM 364 CA VAL A 25 -8.558 -7.524 0.387 1.00 0.00 C ATOM 365 C VAL A 25 -10.008 -7.170 0.723 1.00 0.00 C ATOM 366 O VAL A 25 -10.424 -6.023 0.578 1.00 0.00 O ATOM 367 CB VAL A 25 -8.487 -8.943 -0.217 1.00 0.00 C ATOM 368 CG1 VAL A 25 -9.490 -9.110 -1.350 1.00 0.00 C ATOM 369 CG2 VAL A 25 -7.077 -9.238 -0.703 1.00 0.00 C ATOM 0 H VAL A 25 -7.016 -6.657 1.507 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.188 -6.816 -0.355 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.746 -9.658 0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.416 -10.119 -1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.498 -8.944 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.274 -8.387 -2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.041 -10.242 -1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.796 -8.512 -1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.382 -9.172 0.134 1.00 0.00 H new ATOM 379 N GLY A 26 -10.770 -8.154 1.184 1.00 0.00 N ATOM 380 CA GLY A 26 -12.154 -7.912 1.535 1.00 0.00 C ATOM 381 C GLY A 26 -12.281 -7.057 2.773 1.00 0.00 C ATOM 382 O GLY A 26 -12.823 -7.495 3.788 1.00 0.00 O ATOM 0 H GLY A 26 -10.454 -9.114 1.321 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.659 -7.422 0.702 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.659 -8.864 1.698 1.00 0.00 H new ATOM 386 N ASP A 27 -11.774 -5.832 2.695 1.00 0.00 N ATOM 387 CA ASP A 27 -11.828 -4.919 3.819 1.00 0.00 C ATOM 388 C ASP A 27 -12.382 -3.564 3.389 1.00 0.00 C ATOM 389 O ASP A 27 -12.559 -3.306 2.197 1.00 0.00 O ATOM 390 CB ASP A 27 -10.437 -4.745 4.431 1.00 0.00 C ATOM 391 CG ASP A 27 -10.462 -4.785 5.945 1.00 0.00 C ATOM 392 OD1 ASP A 27 -11.562 -4.663 6.525 1.00 0.00 O ATOM 393 OD2 ASP A 27 -9.381 -4.940 6.553 1.00 0.00 O ATOM 0 H ASP A 27 -11.322 -5.453 1.863 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.494 -5.344 4.570 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.779 -5.531 4.061 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.015 -3.795 4.102 1.00 0.00 H new ATOM 398 N THR A 28 -12.653 -2.702 4.363 1.00 0.00 N ATOM 399 CA THR A 28 -13.185 -1.373 4.079 1.00 0.00 C ATOM 400 C THR A 28 -12.084 -0.320 4.148 1.00 0.00 C ATOM 401 O THR A 28 -11.255 -0.334 5.058 1.00 0.00 O ATOM 402 CB THR A 28 -14.301 -1.026 5.065 1.00 0.00 C ATOM 403 OG1 THR A 28 -15.229 -2.093 5.168 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.074 0.217 4.679 1.00 0.00 C ATOM 0 H THR A 28 -12.514 -2.899 5.354 1.00 0.00 H new ATOM 0 HA THR A 28 -13.593 -1.381 3.068 1.00 0.00 H new ATOM 0 HB THR A 28 -13.801 -0.844 6.016 1.00 0.00 H new ATOM 0 HG1 THR A 28 -15.934 -1.853 5.805 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.851 0.407 5.420 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.396 1.069 4.638 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.533 0.071 3.701 1.00 0.00 H new ATOM 412 N ILE A 29 -12.080 0.592 3.181 1.00 0.00 N ATOM 413 CA ILE A 29 -11.079 1.652 3.134 1.00 0.00 C ATOM 414 C ILE A 29 -11.723 3.013 2.899 1.00 0.00 C ATOM 415 O ILE A 29 -12.796 3.112 2.304 1.00 0.00 O ATOM 416 CB ILE A 29 -10.037 1.394 2.029 1.00 0.00 C ATOM 417 CG1 ILE A 29 -10.731 1.219 0.677 1.00 0.00 C ATOM 418 CG2 ILE A 29 -9.197 0.171 2.365 1.00 0.00 C ATOM 419 CD1 ILE A 29 -10.302 2.235 -0.357 1.00 0.00 C ATOM 0 H ILE A 29 -12.758 0.618 2.420 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.580 1.653 4.103 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.373 2.256 1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.525 0.218 0.299 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.809 1.290 0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.466 0.003 1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.678 0.334 3.310 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.844 -0.702 2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.834 2.051 -1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.533 3.238 0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.229 2.149 -0.528 1.00 0.00 H new ATOM 431 N ALA A 30 -11.055 4.063 3.369 1.00 0.00 N ATOM 432 CA ALA A 30 -11.555 5.423 3.212 1.00 0.00 C ATOM 433 C ALA A 30 -10.434 6.374 2.809 1.00 0.00 C ATOM 434 O ALA A 30 -9.267 5.985 2.750 1.00 0.00 O ATOM 435 CB ALA A 30 -12.214 5.897 4.499 1.00 0.00 C ATOM 0 H ALA A 30 -10.165 3.996 3.862 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.300 5.420 2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.582 6.914 4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.047 5.239 4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.485 5.878 5.309 1.00 0.00 H new ATOM 441 N VAL A 31 -10.793 7.619 2.518 1.00 0.00 N ATOM 442 CA VAL A 31 -9.811 8.619 2.112 1.00 0.00 C ATOM 443 C VAL A 31 -9.048 9.173 3.314 1.00 0.00 C ATOM 444 O VAL A 31 -9.004 10.385 3.524 1.00 0.00 O ATOM 445 CB VAL A 31 -10.479 9.790 1.364 1.00 0.00 C ATOM 446 CG1 VAL A 31 -9.444 10.580 0.576 1.00 0.00 C ATOM 447 CG2 VAL A 31 -11.583 9.281 0.448 1.00 0.00 C ATOM 0 H VAL A 31 -11.754 7.960 2.555 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.112 8.116 1.444 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.929 10.457 2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.934 11.402 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.694 10.979 1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.962 9.925 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.042 10.122 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.160 8.591 -0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.338 8.764 1.041 1.00 0.00 H new ATOM 457 N ASP A 32 -8.443 8.278 4.098 1.00 0.00 N ATOM 458 CA ASP A 32 -7.674 8.668 5.282 1.00 0.00 C ATOM 459 C ASP A 32 -7.474 7.477 6.216 1.00 0.00 C ATOM 460 O ASP A 32 -8.060 7.421 7.297 1.00 0.00 O ATOM 461 CB ASP A 32 -8.373 9.800 6.043 1.00 0.00 C ATOM 462 CG ASP A 32 -9.877 9.614 6.107 1.00 0.00 C ATOM 463 OD1 ASP A 32 -10.346 8.486 5.847 1.00 0.00 O ATOM 464 OD2 ASP A 32 -10.584 10.596 6.415 1.00 0.00 O ATOM 0 H ASP A 32 -8.471 7.272 3.933 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.701 9.020 4.939 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.973 9.854 7.056 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.148 10.751 5.561 1.00 0.00 H new ATOM 469 N ASP A 33 -6.642 6.527 5.796 1.00 0.00 N ATOM 470 CA ASP A 33 -6.372 5.343 6.602 1.00 0.00 C ATOM 471 C ASP A 33 -4.999 4.766 6.273 1.00 0.00 C ATOM 472 O ASP A 33 -4.705 4.462 5.118 1.00 0.00 O ATOM 473 CB ASP A 33 -7.451 4.282 6.373 1.00 0.00 C ATOM 474 CG ASP A 33 -7.392 3.686 4.980 1.00 0.00 C ATOM 475 OD1 ASP A 33 -6.585 2.757 4.766 1.00 0.00 O ATOM 476 OD2 ASP A 33 -8.153 4.147 4.103 1.00 0.00 O ATOM 0 H ASP A 33 -6.146 6.555 4.905 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.383 5.639 7.651 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.337 3.487 7.110 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.433 4.727 6.533 1.00 0.00 H new ATOM 481 N THR A 34 -4.162 4.621 7.295 1.00 0.00 N ATOM 482 CA THR A 34 -2.822 4.083 7.106 1.00 0.00 C ATOM 483 C THR A 34 -2.868 2.681 6.520 1.00 0.00 C ATOM 484 O THR A 34 -3.384 1.750 7.140 1.00 0.00 O ATOM 485 CB THR A 34 -2.049 4.069 8.415 1.00 0.00 C ATOM 486 OG1 THR A 34 -2.926 4.024 9.526 1.00 0.00 O ATOM 487 CG2 THR A 34 -1.143 5.269 8.583 1.00 0.00 C ATOM 0 H THR A 34 -4.388 4.868 8.259 1.00 0.00 H new ATOM 0 HA THR A 34 -2.308 4.737 6.402 1.00 0.00 H new ATOM 0 HB THR A 34 -1.433 3.171 8.375 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.403 4.014 10.355 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.620 5.199 9.537 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.416 5.293 7.771 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.740 6.181 8.562 1.00 0.00 H new ATOM 495 N LEU A 35 -2.311 2.538 5.326 1.00 0.00 N ATOM 496 CA LEU A 35 -2.268 1.249 4.651 1.00 0.00 C ATOM 497 C LEU A 35 -0.990 0.513 5.024 1.00 0.00 C ATOM 498 O LEU A 35 -1.001 -0.694 5.261 1.00 0.00 O ATOM 499 CB LEU A 35 -2.350 1.437 3.135 1.00 0.00 C ATOM 500 CG LEU A 35 -3.766 1.585 2.578 1.00 0.00 C ATOM 501 CD1 LEU A 35 -3.727 2.065 1.135 1.00 0.00 C ATOM 502 CD2 LEU A 35 -4.519 0.267 2.683 1.00 0.00 C ATOM 0 H LEU A 35 -1.881 3.301 4.803 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.125 0.655 4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.774 2.321 2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.873 0.584 2.652 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.293 2.332 3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.745 2.164 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.226 3.032 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.182 1.343 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.525 0.390 2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.993 -0.499 2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.579 -0.035 3.729 1.00 0.00 H new ATOM 514 N ILE A 36 0.108 1.259 5.086 1.00 0.00 N ATOM 515 CA ILE A 36 1.403 0.692 5.445 1.00 0.00 C ATOM 516 C ILE A 36 2.344 1.775 5.973 1.00 0.00 C ATOM 517 O ILE A 36 1.908 2.860 6.357 1.00 0.00 O ATOM 518 CB ILE A 36 2.072 -0.045 4.251 1.00 0.00 C ATOM 519 CG1 ILE A 36 2.671 0.939 3.236 1.00 0.00 C ATOM 520 CG2 ILE A 36 1.077 -0.964 3.567 1.00 0.00 C ATOM 521 CD1 ILE A 36 1.638 1.698 2.444 1.00 0.00 C ATOM 0 H ILE A 36 0.127 2.260 4.892 1.00 0.00 H new ATOM 0 HA ILE A 36 1.217 -0.040 6.231 1.00 0.00 H new ATOM 0 HB ILE A 36 2.889 -0.643 4.655 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.305 1.651 3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.313 0.390 2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.563 -1.471 2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.715 -1.704 4.281 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.237 -0.378 3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.137 2.373 1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.018 0.995 1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.011 2.275 3.123 1.00 0.00 H new ATOM 533 N THR A 37 3.635 1.470 5.978 1.00 0.00 N ATOM 534 CA THR A 37 4.648 2.406 6.441 1.00 0.00 C ATOM 535 C THR A 37 6.000 2.042 5.843 1.00 0.00 C ATOM 536 O THR A 37 6.993 1.892 6.552 1.00 0.00 O ATOM 537 CB THR A 37 4.719 2.414 7.969 1.00 0.00 C ATOM 538 OG1 THR A 37 3.471 2.792 8.525 1.00 0.00 O ATOM 539 CG2 THR A 37 5.767 3.359 8.515 1.00 0.00 C ATOM 0 H THR A 37 4.006 0.574 5.664 1.00 0.00 H new ATOM 0 HA THR A 37 4.376 3.409 6.112 1.00 0.00 H new ATOM 0 HB THR A 37 4.988 1.396 8.251 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.316 3.746 8.363 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.764 3.315 9.604 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.749 3.067 8.143 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.544 4.376 8.192 1.00 0.00 H new ATOM 547 N LEU A 38 6.013 1.896 4.524 1.00 0.00 N ATOM 548 CA LEU A 38 7.221 1.536 3.783 1.00 0.00 C ATOM 549 C LEU A 38 8.448 2.283 4.299 1.00 0.00 C ATOM 550 O LEU A 38 8.329 3.279 5.012 1.00 0.00 O ATOM 551 CB LEU A 38 7.024 1.829 2.297 1.00 0.00 C ATOM 552 CG LEU A 38 7.433 0.700 1.353 1.00 0.00 C ATOM 553 CD1 LEU A 38 6.217 -0.115 0.943 1.00 0.00 C ATOM 554 CD2 LEU A 38 8.137 1.265 0.132 1.00 0.00 C ATOM 0 H LEU A 38 5.189 2.023 3.936 1.00 0.00 H new ATOM 0 HA LEU A 38 7.395 0.470 3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.973 2.062 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.595 2.721 2.040 1.00 0.00 H new ATOM 0 HG LEU A 38 8.126 0.040 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.525 -0.915 0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.752 -0.545 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.501 0.531 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.423 0.450 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.465 1.943 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.029 1.808 0.445 1.00 0.00 H new ATOM 566 N GLU A 39 9.629 1.789 3.930 1.00 0.00 N ATOM 567 CA GLU A 39 10.880 2.406 4.355 1.00 0.00 C ATOM 568 C GLU A 39 12.073 1.762 3.658 1.00 0.00 C ATOM 569 O GLU A 39 12.015 0.603 3.247 1.00 0.00 O ATOM 570 CB GLU A 39 11.032 2.286 5.870 1.00 0.00 C ATOM 571 CG GLU A 39 12.336 2.859 6.404 1.00 0.00 C ATOM 572 CD GLU A 39 12.587 2.485 7.852 1.00 0.00 C ATOM 573 OE1 GLU A 39 11.749 1.765 8.433 1.00 0.00 O ATOM 574 OE2 GLU A 39 13.623 2.912 8.404 1.00 0.00 O ATOM 0 H GLU A 39 9.744 0.965 3.339 1.00 0.00 H new ATOM 0 HA GLU A 39 10.852 3.460 4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.198 2.797 6.351 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.966 1.235 6.150 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.164 2.501 5.791 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.317 3.945 6.311 1.00 0.00 H new ATOM 581 N THR A 40 13.158 2.521 3.533 1.00 0.00 N ATOM 582 CA THR A 40 14.369 2.027 2.890 1.00 0.00 C ATOM 583 C THR A 40 15.415 1.643 3.933 1.00 0.00 C ATOM 584 O THR A 40 15.544 0.475 4.299 1.00 0.00 O ATOM 585 CB THR A 40 14.932 3.087 1.940 1.00 0.00 C ATOM 586 OG1 THR A 40 15.377 4.227 2.655 1.00 0.00 O ATOM 587 CG2 THR A 40 13.926 3.561 0.918 1.00 0.00 C ATOM 0 H THR A 40 13.222 3.482 3.869 1.00 0.00 H new ATOM 0 HA THR A 40 14.115 1.137 2.315 1.00 0.00 H new ATOM 0 HB THR A 40 15.759 2.598 1.425 1.00 0.00 H new ATOM 0 HG1 THR A 40 15.734 4.889 2.026 1.00 0.00 H new ATOM 0 HG21 THR A 40 14.386 4.311 0.275 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.597 2.717 0.312 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.067 3.998 1.428 1.00 0.00 H new ATOM 595 N ASP A 41 16.155 2.637 4.410 1.00 0.00 N ATOM 596 CA ASP A 41 17.185 2.415 5.415 1.00 0.00 C ATOM 597 C ASP A 41 17.371 3.658 6.282 1.00 0.00 C ATOM 598 O ASP A 41 18.415 3.837 6.909 1.00 0.00 O ATOM 599 CB ASP A 41 18.509 2.042 4.744 1.00 0.00 C ATOM 600 CG ASP A 41 19.491 1.409 5.710 1.00 0.00 C ATOM 601 OD1 ASP A 41 19.219 0.285 6.181 1.00 0.00 O ATOM 602 OD2 ASP A 41 20.533 2.037 5.995 1.00 0.00 O ATOM 0 H ASP A 41 16.059 3.609 4.115 1.00 0.00 H new ATOM 0 HA ASP A 41 16.866 1.591 6.054 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.315 1.351 3.923 1.00 0.00 H new ATOM 0 HB3 ASP A 41 18.957 2.936 4.309 1.00 0.00 H new ATOM 607 N LYS A 42 16.351 4.513 6.312 1.00 0.00 N ATOM 608 CA LYS A 42 16.403 5.739 7.103 1.00 0.00 C ATOM 609 C LYS A 42 15.109 6.534 6.961 1.00 0.00 C ATOM 610 O LYS A 42 14.594 7.078 7.938 1.00 0.00 O ATOM 611 CB LYS A 42 17.592 6.599 6.672 1.00 0.00 C ATOM 612 CG LYS A 42 18.118 7.506 7.773 1.00 0.00 C ATOM 613 CD LYS A 42 19.629 7.402 7.906 1.00 0.00 C ATOM 614 CE LYS A 42 20.260 8.763 8.153 1.00 0.00 C ATOM 615 NZ LYS A 42 19.981 9.262 9.528 1.00 0.00 N ATOM 0 H LYS A 42 15.480 4.379 5.798 1.00 0.00 H new ATOM 0 HA LYS A 42 16.525 5.461 8.150 1.00 0.00 H new ATOM 0 HB2 LYS A 42 18.398 5.947 6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 42 17.297 7.210 5.819 1.00 0.00 H new ATOM 0 HG2 LYS A 42 17.841 8.538 7.559 1.00 0.00 H new ATOM 0 HG3 LYS A 42 17.649 7.240 8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 42 19.878 6.730 8.727 1.00 0.00 H new ATOM 0 HD3 LYS A 42 20.046 6.965 6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 42 21.337 8.697 8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 42 19.880 9.478 7.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 20.428 10.192 9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 18.954 9.350 9.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 20.366 8.593 10.225 1.00 0.00 H new ATOM 629 N ALA A 43 14.589 6.601 5.738 1.00 0.00 N ATOM 630 CA ALA A 43 13.356 7.334 5.471 1.00 0.00 C ATOM 631 C ALA A 43 12.154 6.397 5.432 1.00 0.00 C ATOM 632 O ALA A 43 11.961 5.660 4.465 1.00 0.00 O ATOM 633 CB ALA A 43 13.466 8.099 4.160 1.00 0.00 C ATOM 0 H ALA A 43 15.002 6.157 4.918 1.00 0.00 H new ATOM 0 HA ALA A 43 13.207 8.044 6.285 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.538 8.640 3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.293 8.806 4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.646 7.399 3.344 1.00 0.00 H new ATOM 639 N THR A 44 11.345 6.436 6.484 1.00 0.00 N ATOM 640 CA THR A 44 10.159 5.595 6.562 1.00 0.00 C ATOM 641 C THR A 44 8.946 6.325 6.002 1.00 0.00 C ATOM 642 O THR A 44 8.511 7.338 6.550 1.00 0.00 O ATOM 643 CB THR A 44 9.888 5.174 8.006 1.00 0.00 C ATOM 644 OG1 THR A 44 9.197 6.194 8.705 1.00 0.00 O ATOM 645 CG2 THR A 44 11.147 4.856 8.785 1.00 0.00 C ATOM 0 H THR A 44 11.489 7.040 7.293 1.00 0.00 H new ATOM 0 HA THR A 44 10.341 4.702 5.964 1.00 0.00 H new ATOM 0 HB THR A 44 9.287 4.268 7.933 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.140 6.995 8.143 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.882 4.565 9.801 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.678 4.037 8.299 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.788 5.737 8.816 1.00 0.00 H new ATOM 653 N MET A 45 8.405 5.810 4.904 1.00 0.00 N ATOM 654 CA MET A 45 7.245 6.425 4.271 1.00 0.00 C ATOM 655 C MET A 45 5.945 5.769 4.729 1.00 0.00 C ATOM 656 O MET A 45 5.864 4.547 4.859 1.00 0.00 O ATOM 657 CB MET A 45 7.362 6.344 2.750 1.00 0.00 C ATOM 658 CG MET A 45 7.109 7.672 2.059 1.00 0.00 C ATOM 659 SD MET A 45 8.195 8.983 2.652 1.00 0.00 S ATOM 660 CE MET A 45 7.558 10.388 1.743 1.00 0.00 C ATOM 0 H MET A 45 8.749 4.972 4.435 1.00 0.00 H new ATOM 0 HA MET A 45 7.221 7.472 4.573 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.359 5.989 2.487 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.652 5.606 2.376 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.247 7.550 0.985 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.071 7.967 2.216 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.388 10.952 1.317 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.907 10.038 0.942 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.991 11.030 2.417 1.00 0.00 H new ATOM 670 N ASP A 46 4.930 6.595 4.969 1.00 0.00 N ATOM 671 CA ASP A 46 3.628 6.107 5.409 1.00 0.00 C ATOM 672 C ASP A 46 2.538 6.490 4.415 1.00 0.00 C ATOM 673 O ASP A 46 2.579 7.566 3.819 1.00 0.00 O ATOM 674 CB ASP A 46 3.292 6.666 6.793 1.00 0.00 C ATOM 675 CG ASP A 46 4.220 6.142 7.870 1.00 0.00 C ATOM 676 OD1 ASP A 46 5.377 6.607 7.933 1.00 0.00 O ATOM 677 OD2 ASP A 46 3.790 5.268 8.652 1.00 0.00 O ATOM 0 H ASP A 46 4.986 7.608 4.865 1.00 0.00 H new ATOM 0 HA ASP A 46 3.676 5.020 5.465 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.350 7.754 6.766 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.264 6.407 7.046 1.00 0.00 H new ATOM 682 N VAL A 47 1.564 5.604 4.244 1.00 0.00 N ATOM 683 CA VAL A 47 0.463 5.852 3.323 1.00 0.00 C ATOM 684 C VAL A 47 -0.879 5.792 4.050 1.00 0.00 C ATOM 685 O VAL A 47 -1.295 4.724 4.503 1.00 0.00 O ATOM 686 CB VAL A 47 0.458 4.829 2.165 1.00 0.00 C ATOM 687 CG1 VAL A 47 -0.799 4.968 1.308 1.00 0.00 C ATOM 688 CG2 VAL A 47 1.706 4.989 1.312 1.00 0.00 C ATOM 0 H VAL A 47 1.515 4.709 4.731 1.00 0.00 H new ATOM 0 HA VAL A 47 0.607 6.851 2.912 1.00 0.00 H new ATOM 0 HB VAL A 47 0.456 3.829 2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.773 4.235 0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.681 4.797 1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.841 5.971 0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.688 4.261 0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.736 5.996 0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.591 4.824 1.927 1.00 0.00 H new ATOM 698 N PRO A 48 -1.579 6.939 4.160 1.00 0.00 N ATOM 699 CA PRO A 48 -2.876 7.016 4.819 1.00 0.00 C ATOM 700 C PRO A 48 -4.031 6.735 3.861 1.00 0.00 C ATOM 701 O PRO A 48 -5.101 7.332 3.975 1.00 0.00 O ATOM 702 CB PRO A 48 -2.915 8.464 5.292 1.00 0.00 C ATOM 703 CG PRO A 48 -2.160 9.220 4.248 1.00 0.00 C ATOM 704 CD PRO A 48 -1.162 8.257 3.645 1.00 0.00 C ATOM 0 HA PRO A 48 -2.988 6.279 5.614 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.940 8.825 5.380 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.453 8.573 6.273 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.836 9.604 3.484 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.652 10.080 4.685 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.188 8.286 2.556 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.143 8.499 3.946 1.00 0.00 H new ATOM 712 N ALA A 49 -3.808 5.824 2.916 1.00 0.00 N ATOM 713 CA ALA A 49 -4.829 5.468 1.939 1.00 0.00 C ATOM 714 C ALA A 49 -5.351 6.702 1.214 1.00 0.00 C ATOM 715 O ALA A 49 -5.079 7.834 1.612 1.00 0.00 O ATOM 716 CB ALA A 49 -5.973 4.725 2.614 1.00 0.00 C ATOM 0 H ALA A 49 -2.928 5.320 2.808 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.372 4.811 1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.727 4.466 1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.592 3.815 3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.420 5.361 3.378 1.00 0.00 H new ATOM 722 N GLU A 50 -6.102 6.472 0.145 1.00 0.00 N ATOM 723 CA GLU A 50 -6.665 7.561 -0.641 1.00 0.00 C ATOM 724 C GLU A 50 -7.747 7.041 -1.571 1.00 0.00 C ATOM 725 O GLU A 50 -7.580 7.026 -2.791 1.00 0.00 O ATOM 726 CB GLU A 50 -5.569 8.259 -1.448 1.00 0.00 C ATOM 727 CG GLU A 50 -5.905 9.696 -1.812 1.00 0.00 C ATOM 728 CD GLU A 50 -5.171 10.703 -0.949 1.00 0.00 C ATOM 729 OE1 GLU A 50 -3.924 10.646 -0.900 1.00 0.00 O ATOM 730 OE2 GLU A 50 -5.843 11.548 -0.320 1.00 0.00 O ATOM 0 H GLU A 50 -6.335 5.540 -0.198 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.110 8.283 0.043 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.642 8.245 -0.875 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.387 7.694 -2.362 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.655 9.870 -2.859 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.979 9.851 -1.711 1.00 0.00 H new ATOM 737 N VAL A 51 -8.854 6.600 -0.987 1.00 0.00 N ATOM 738 CA VAL A 51 -9.960 6.062 -1.770 1.00 0.00 C ATOM 739 C VAL A 51 -11.165 5.765 -0.890 1.00 0.00 C ATOM 740 O VAL A 51 -11.110 5.922 0.323 1.00 0.00 O ATOM 741 CB VAL A 51 -9.552 4.773 -2.518 1.00 0.00 C ATOM 742 CG1 VAL A 51 -9.272 5.076 -3.981 1.00 0.00 C ATOM 743 CG2 VAL A 51 -8.339 4.115 -1.864 1.00 0.00 C ATOM 0 H VAL A 51 -9.010 6.604 0.021 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.227 6.826 -2.500 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.384 4.071 -2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.986 4.158 -4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.168 5.487 -4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.461 5.800 -4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.076 3.211 -2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.497 4.807 -1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.577 3.857 -0.832 1.00 0.00 H new ATOM 753 N ALA A 52 -12.257 5.341 -1.509 1.00 0.00 N ATOM 754 CA ALA A 52 -13.476 5.032 -0.770 1.00 0.00 C ATOM 755 C ALA A 52 -14.156 3.784 -1.308 1.00 0.00 C ATOM 756 O ALA A 52 -15.132 3.874 -2.043 1.00 0.00 O ATOM 757 CB ALA A 52 -14.437 6.199 -0.846 1.00 0.00 C ATOM 0 H ALA A 52 -12.326 5.203 -2.517 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.195 4.848 0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.344 5.960 -0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.970 7.084 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.690 6.395 -1.888 1.00 0.00 H new ATOM 763 N GLY A 53 -13.655 2.621 -0.941 1.00 0.00 N ATOM 764 CA GLY A 53 -14.267 1.401 -1.425 1.00 0.00 C ATOM 765 C GLY A 53 -13.789 0.152 -0.714 1.00 0.00 C ATOM 766 O GLY A 53 -13.603 0.146 0.503 1.00 0.00 O ATOM 0 H GLY A 53 -12.850 2.496 -0.328 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.348 1.479 -1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.063 1.301 -2.491 1.00 0.00 H new ATOM 770 N VAL A 54 -13.608 -0.913 -1.484 1.00 0.00 N ATOM 771 CA VAL A 54 -13.167 -2.193 -0.947 1.00 0.00 C ATOM 772 C VAL A 54 -12.005 -2.751 -1.761 1.00 0.00 C ATOM 773 O VAL A 54 -12.007 -2.672 -2.989 1.00 0.00 O ATOM 774 CB VAL A 54 -14.321 -3.213 -0.958 1.00 0.00 C ATOM 775 CG1 VAL A 54 -13.855 -4.565 -0.437 1.00 0.00 C ATOM 776 CG2 VAL A 54 -15.497 -2.695 -0.145 1.00 0.00 C ATOM 0 H VAL A 54 -13.762 -0.914 -2.492 1.00 0.00 H new ATOM 0 HA VAL A 54 -12.840 -2.024 0.079 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.650 -3.347 -1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.688 -5.268 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.050 -4.940 -1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -13.494 -4.456 0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.303 -3.428 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.182 -2.528 0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -15.850 -1.757 -0.573 1.00 0.00 H new ATOM 786 N VAL A 55 -11.015 -3.321 -1.078 1.00 0.00 N ATOM 787 CA VAL A 55 -9.862 -3.887 -1.766 1.00 0.00 C ATOM 788 C VAL A 55 -10.172 -5.261 -2.336 1.00 0.00 C ATOM 789 O VAL A 55 -10.931 -6.039 -1.758 1.00 0.00 O ATOM 790 CB VAL A 55 -8.624 -4.003 -0.852 1.00 0.00 C ATOM 791 CG1 VAL A 55 -7.436 -4.558 -1.635 1.00 0.00 C ATOM 792 CG2 VAL A 55 -8.286 -2.656 -0.236 1.00 0.00 C ATOM 0 H VAL A 55 -10.989 -3.402 -0.062 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.635 -3.193 -2.575 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.853 -4.696 -0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.570 -4.634 -0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.685 -5.546 -2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.203 -3.891 -2.465 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.410 -2.758 0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.074 -1.937 -1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.131 -2.305 0.357 1.00 0.00 H new ATOM 802 N LYS A 56 -9.560 -5.554 -3.469 1.00 0.00 N ATOM 803 CA LYS A 56 -9.733 -6.837 -4.129 1.00 0.00 C ATOM 804 C LYS A 56 -8.396 -7.536 -4.206 1.00 0.00 C ATOM 805 O LYS A 56 -8.282 -8.734 -3.948 1.00 0.00 O ATOM 806 CB LYS A 56 -10.284 -6.676 -5.551 1.00 0.00 C ATOM 807 CG LYS A 56 -10.671 -5.251 -5.920 1.00 0.00 C ATOM 808 CD LYS A 56 -12.020 -4.871 -5.333 1.00 0.00 C ATOM 809 CE LYS A 56 -13.138 -5.724 -5.910 1.00 0.00 C ATOM 810 NZ LYS A 56 -13.899 -6.435 -4.845 1.00 0.00 N ATOM 0 H LYS A 56 -8.932 -4.914 -3.956 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.448 -7.419 -3.548 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.536 -7.031 -6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.158 -7.317 -5.663 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.908 -4.561 -5.559 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.704 -5.151 -7.005 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.993 -4.989 -4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.222 -3.819 -5.534 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.818 -5.093 -6.483 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.718 -6.452 -6.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.652 -7.006 -5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.256 -7.057 -4.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.321 -5.740 -4.197 1.00 0.00 H new ATOM 824 N GLU A 57 -7.384 -6.768 -4.582 1.00 0.00 N ATOM 825 CA GLU A 57 -6.051 -7.300 -4.715 1.00 0.00 C ATOM 826 C GLU A 57 -5.128 -6.771 -3.623 1.00 0.00 C ATOM 827 O GLU A 57 -5.385 -5.725 -3.026 1.00 0.00 O ATOM 828 CB GLU A 57 -5.482 -6.966 -6.095 1.00 0.00 C ATOM 829 CG GLU A 57 -5.680 -8.071 -7.119 1.00 0.00 C ATOM 830 CD GLU A 57 -4.935 -7.807 -8.414 1.00 0.00 C ATOM 831 OE1 GLU A 57 -4.415 -6.684 -8.580 1.00 0.00 O ATOM 832 OE2 GLU A 57 -4.873 -8.723 -9.260 1.00 0.00 O ATOM 0 H GLU A 57 -7.468 -5.775 -4.799 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.112 -8.383 -4.606 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.953 -6.054 -6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.416 -6.758 -5.999 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.343 -9.017 -6.697 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.744 -8.178 -7.331 1.00 0.00 H new ATOM 839 N VAL A 58 -4.053 -7.506 -3.369 1.00 0.00 N ATOM 840 CA VAL A 58 -3.079 -7.129 -2.353 1.00 0.00 C ATOM 841 C VAL A 58 -1.703 -7.665 -2.720 1.00 0.00 C ATOM 842 O VAL A 58 -1.511 -8.874 -2.854 1.00 0.00 O ATOM 843 CB VAL A 58 -3.478 -7.665 -0.968 1.00 0.00 C ATOM 844 CG1 VAL A 58 -3.648 -9.173 -1.016 1.00 0.00 C ATOM 845 CG2 VAL A 58 -2.446 -7.268 0.076 1.00 0.00 C ATOM 0 H VAL A 58 -3.833 -8.374 -3.857 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.052 -6.040 -2.310 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.432 -7.222 -0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.930 -9.539 -0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.427 -9.429 -1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.709 -9.636 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.745 -7.656 1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.475 -7.682 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.377 -6.181 0.124 1.00 0.00 H new ATOM 855 N LYS A 59 -0.754 -6.760 -2.896 1.00 0.00 N ATOM 856 CA LYS A 59 0.602 -7.138 -3.266 1.00 0.00 C ATOM 857 C LYS A 59 1.617 -6.450 -2.364 1.00 0.00 C ATOM 858 O LYS A 59 2.357 -5.568 -2.800 1.00 0.00 O ATOM 859 CB LYS A 59 0.854 -6.770 -4.725 1.00 0.00 C ATOM 860 CG LYS A 59 -0.362 -6.985 -5.612 1.00 0.00 C ATOM 861 CD LYS A 59 0.030 -7.500 -6.985 1.00 0.00 C ATOM 862 CE LYS A 59 -0.904 -6.971 -8.063 1.00 0.00 C ATOM 863 NZ LYS A 59 -1.440 -8.064 -8.920 1.00 0.00 N ATOM 0 H LYS A 59 -0.897 -5.756 -2.789 1.00 0.00 H new ATOM 0 HA LYS A 59 0.715 -8.215 -3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.158 -5.725 -4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.684 -7.365 -5.106 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.039 -7.695 -5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.907 -6.047 -5.717 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.054 -7.200 -7.209 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.009 -8.590 -6.986 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.732 -6.437 -7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.371 -6.251 -8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.072 -7.661 -9.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.652 -8.558 -9.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.971 -8.738 -8.332 1.00 0.00 H new ATOM 877 N VAL A 60 1.637 -6.854 -1.101 1.00 0.00 N ATOM 878 CA VAL A 60 2.552 -6.273 -0.128 1.00 0.00 C ATOM 879 C VAL A 60 2.496 -7.043 1.191 1.00 0.00 C ATOM 880 O VAL A 60 1.489 -7.667 1.522 1.00 0.00 O ATOM 881 CB VAL A 60 2.231 -4.769 0.103 1.00 0.00 C ATOM 882 CG1 VAL A 60 0.730 -4.524 0.021 1.00 0.00 C ATOM 883 CG2 VAL A 60 2.787 -4.257 1.431 1.00 0.00 C ATOM 0 H VAL A 60 1.029 -7.582 -0.726 1.00 0.00 H new ATOM 0 HA VAL A 60 3.564 -6.348 -0.527 1.00 0.00 H new ATOM 0 HB VAL A 60 2.725 -4.208 -0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.524 -3.466 0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.367 -4.815 -0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.223 -5.115 0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.538 -3.202 1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.350 -4.826 2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.870 -4.377 1.442 1.00 0.00 H new ATOM 893 N LYS A 61 3.593 -6.986 1.934 1.00 0.00 N ATOM 894 CA LYS A 61 3.691 -7.669 3.217 1.00 0.00 C ATOM 895 C LYS A 61 4.940 -7.220 3.970 1.00 0.00 C ATOM 896 O LYS A 61 5.790 -6.520 3.419 1.00 0.00 O ATOM 897 CB LYS A 61 3.712 -9.186 3.012 1.00 0.00 C ATOM 898 CG LYS A 61 5.026 -9.708 2.454 1.00 0.00 C ATOM 899 CD LYS A 61 6.025 -9.995 3.563 1.00 0.00 C ATOM 900 CE LYS A 61 6.418 -11.463 3.593 1.00 0.00 C ATOM 901 NZ LYS A 61 6.991 -11.857 4.910 1.00 0.00 N ATOM 0 H LYS A 61 4.432 -6.471 1.668 1.00 0.00 H new ATOM 0 HA LYS A 61 2.816 -7.408 3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.512 -9.676 3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.904 -9.464 2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.844 -10.618 1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.446 -8.976 1.764 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.915 -9.382 3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.595 -9.713 4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.544 -12.077 3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.146 -11.660 2.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.881 -12.374 4.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.176 -11.005 5.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.316 -12.468 5.413 1.00 0.00 H new ATOM 915 N VAL A 62 5.045 -7.623 5.231 1.00 0.00 N ATOM 916 CA VAL A 62 6.191 -7.257 6.052 1.00 0.00 C ATOM 917 C VAL A 62 7.380 -8.176 5.787 1.00 0.00 C ATOM 918 O VAL A 62 7.552 -9.193 6.458 1.00 0.00 O ATOM 919 CB VAL A 62 5.845 -7.306 7.552 1.00 0.00 C ATOM 920 CG1 VAL A 62 7.037 -6.871 8.389 1.00 0.00 C ATOM 921 CG2 VAL A 62 4.630 -6.438 7.847 1.00 0.00 C ATOM 0 H VAL A 62 4.352 -8.202 5.705 1.00 0.00 H new ATOM 0 HA VAL A 62 6.459 -6.236 5.779 1.00 0.00 H new ATOM 0 HB VAL A 62 5.601 -8.335 7.818 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.774 -6.912 9.446 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.878 -7.538 8.198 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.315 -5.851 8.124 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.400 -6.484 8.911 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.843 -5.407 7.566 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.776 -6.801 7.275 1.00 0.00 H new ATOM 931 N GLY A 63 8.199 -7.809 4.805 1.00 0.00 N ATOM 932 CA GLY A 63 9.362 -8.611 4.475 1.00 0.00 C ATOM 933 C GLY A 63 9.453 -8.930 2.994 1.00 0.00 C ATOM 934 O GLY A 63 9.691 -10.076 2.614 1.00 0.00 O ATOM 0 H GLY A 63 8.078 -6.973 4.234 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.263 -8.081 4.784 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.329 -9.542 5.041 1.00 0.00 H new ATOM 938 N ASP A 64 9.265 -7.915 2.156 1.00 0.00 N ATOM 939 CA ASP A 64 9.327 -8.095 0.710 1.00 0.00 C ATOM 940 C ASP A 64 10.050 -6.928 0.043 1.00 0.00 C ATOM 941 O ASP A 64 10.433 -5.963 0.705 1.00 0.00 O ATOM 942 CB ASP A 64 7.920 -8.237 0.129 1.00 0.00 C ATOM 943 CG ASP A 64 6.991 -7.129 0.589 1.00 0.00 C ATOM 944 OD1 ASP A 64 7.344 -6.422 1.556 1.00 0.00 O ATOM 945 OD2 ASP A 64 5.911 -6.970 -0.018 1.00 0.00 O ATOM 0 H ASP A 64 9.068 -6.959 2.454 1.00 0.00 H new ATOM 0 HA ASP A 64 9.888 -9.008 0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.977 -8.232 -0.960 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.504 -9.201 0.422 1.00 0.00 H new ATOM 950 N LYS A 65 10.227 -7.024 -1.272 1.00 0.00 N ATOM 951 CA LYS A 65 10.899 -5.978 -2.036 1.00 0.00 C ATOM 952 C LYS A 65 9.888 -5.149 -2.817 1.00 0.00 C ATOM 953 O LYS A 65 8.788 -5.614 -3.111 1.00 0.00 O ATOM 954 CB LYS A 65 11.923 -6.593 -2.992 1.00 0.00 C ATOM 955 CG LYS A 65 13.128 -5.703 -3.246 1.00 0.00 C ATOM 956 CD LYS A 65 14.423 -6.499 -3.208 1.00 0.00 C ATOM 957 CE LYS A 65 15.634 -5.586 -3.121 1.00 0.00 C ATOM 958 NZ LYS A 65 16.879 -6.341 -2.812 1.00 0.00 N ATOM 0 H LYS A 65 9.914 -7.817 -1.831 1.00 0.00 H new ATOM 0 HA LYS A 65 11.418 -5.323 -1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.264 -7.544 -2.583 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.436 -6.811 -3.942 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.026 -5.218 -4.217 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.163 -4.912 -2.496 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.412 -7.173 -2.352 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.497 -7.119 -4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.757 -5.055 -4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.466 -4.833 -2.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.681 -5.681 -2.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.772 -6.827 -1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.054 -7.043 -3.560 1.00 0.00 H new ATOM 972 N ILE A 66 10.261 -3.916 -3.144 1.00 0.00 N ATOM 973 CA ILE A 66 9.375 -3.024 -3.881 1.00 0.00 C ATOM 974 C ILE A 66 10.154 -2.204 -4.919 1.00 0.00 C ATOM 975 O ILE A 66 11.383 -2.238 -4.957 1.00 0.00 O ATOM 976 CB ILE A 66 8.588 -2.107 -2.890 1.00 0.00 C ATOM 977 CG1 ILE A 66 7.114 -2.501 -2.881 1.00 0.00 C ATOM 978 CG2 ILE A 66 8.733 -0.617 -3.202 1.00 0.00 C ATOM 979 CD1 ILE A 66 6.877 -3.906 -2.380 1.00 0.00 C ATOM 0 H ILE A 66 11.169 -3.513 -2.911 1.00 0.00 H new ATOM 0 HA ILE A 66 8.651 -3.626 -4.430 1.00 0.00 H new ATOM 0 HB ILE A 66 9.024 -2.260 -1.903 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.561 -1.801 -2.255 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.714 -2.410 -3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.163 -0.036 -2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.784 -0.334 -3.147 1.00 0.00 H new ATOM 0 HG23 ILE A 66 8.356 -0.417 -4.205 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.809 -4.124 -2.399 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.403 -4.614 -3.020 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.248 -3.996 -1.359 1.00 0.00 H new ATOM 991 N SER A 67 9.420 -1.469 -5.753 1.00 0.00 N ATOM 992 CA SER A 67 10.030 -0.638 -6.786 1.00 0.00 C ATOM 993 C SER A 67 9.200 0.620 -7.031 1.00 0.00 C ATOM 994 O SER A 67 8.901 0.966 -8.175 1.00 0.00 O ATOM 995 CB SER A 67 10.174 -1.430 -8.088 1.00 0.00 C ATOM 996 OG SER A 67 8.991 -2.154 -8.377 1.00 0.00 O ATOM 0 H SER A 67 8.401 -1.433 -5.732 1.00 0.00 H new ATOM 0 HA SER A 67 11.019 -0.338 -6.440 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.397 -0.749 -8.909 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.015 -2.119 -8.008 1.00 0.00 H new ATOM 0 HG SER A 67 9.107 -2.650 -9.214 1.00 0.00 H new ATOM 1002 N GLU A 68 8.832 1.301 -5.946 1.00 0.00 N ATOM 1003 CA GLU A 68 8.034 2.527 -6.025 1.00 0.00 C ATOM 1004 C GLU A 68 6.942 2.426 -7.089 1.00 0.00 C ATOM 1005 O GLU A 68 6.859 3.265 -7.986 1.00 0.00 O ATOM 1006 CB GLU A 68 8.933 3.728 -6.319 1.00 0.00 C ATOM 1007 CG GLU A 68 9.904 4.051 -5.195 1.00 0.00 C ATOM 1008 CD GLU A 68 10.940 5.083 -5.596 1.00 0.00 C ATOM 1009 OE1 GLU A 68 10.632 6.292 -5.525 1.00 0.00 O ATOM 1010 OE2 GLU A 68 12.058 4.683 -5.982 1.00 0.00 O ATOM 0 H GLU A 68 9.075 1.023 -4.995 1.00 0.00 H new ATOM 0 HA GLU A 68 7.550 2.663 -5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.498 3.534 -7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.308 4.601 -6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.347 4.417 -4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.409 3.137 -4.883 1.00 0.00 H new ATOM 1017 N GLY A 69 6.108 1.398 -6.981 1.00 0.00 N ATOM 1018 CA GLY A 69 5.037 1.213 -7.940 1.00 0.00 C ATOM 1019 C GLY A 69 4.874 -0.234 -8.352 1.00 0.00 C ATOM 1020 O GLY A 69 5.180 -0.602 -9.486 1.00 0.00 O ATOM 0 H GLY A 69 6.155 0.691 -6.247 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.102 1.573 -7.510 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.236 1.819 -8.824 1.00 0.00 H new ATOM 1024 N GLY A 70 4.395 -1.059 -7.428 1.00 0.00 N ATOM 1025 CA GLY A 70 4.205 -2.466 -7.725 1.00 0.00 C ATOM 1026 C GLY A 70 2.755 -2.891 -7.621 1.00 0.00 C ATOM 1027 O GLY A 70 2.461 -4.044 -7.307 1.00 0.00 O ATOM 0 H GLY A 70 4.136 -0.780 -6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.570 -2.674 -8.731 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.805 -3.063 -7.038 1.00 0.00 H new ATOM 1031 N LEU A 71 1.843 -1.956 -7.879 1.00 0.00 N ATOM 1032 CA LEU A 71 0.413 -2.241 -7.806 1.00 0.00 C ATOM 1033 C LEU A 71 0.077 -2.967 -6.508 1.00 0.00 C ATOM 1034 O LEU A 71 -0.479 -4.064 -6.523 1.00 0.00 O ATOM 1035 CB LEU A 71 -0.025 -3.084 -9.006 1.00 0.00 C ATOM 1036 CG LEU A 71 -1.516 -3.431 -9.049 1.00 0.00 C ATOM 1037 CD1 LEU A 71 -2.361 -2.219 -8.681 1.00 0.00 C ATOM 1038 CD2 LEU A 71 -1.899 -3.952 -10.425 1.00 0.00 C ATOM 0 H LEU A 71 2.069 -0.996 -8.140 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.126 -1.294 -7.826 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.234 -2.549 -9.920 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.548 -4.011 -9.007 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.708 -4.215 -8.316 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.417 -2.487 -8.718 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.105 -1.889 -7.674 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.167 -1.412 -9.387 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.962 -4.194 -10.440 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.691 -3.188 -11.174 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.320 -4.848 -10.649 1.00 0.00 H new ATOM 1050 N ILE A 72 0.430 -2.346 -5.389 1.00 0.00 N ATOM 1051 CA ILE A 72 0.183 -2.925 -4.075 1.00 0.00 C ATOM 1052 C ILE A 72 -1.243 -3.477 -3.966 1.00 0.00 C ATOM 1053 O ILE A 72 -1.465 -4.675 -4.134 1.00 0.00 O ATOM 1054 CB ILE A 72 0.472 -1.884 -2.958 1.00 0.00 C ATOM 1055 CG1 ILE A 72 1.968 -1.877 -2.644 1.00 0.00 C ATOM 1056 CG2 ILE A 72 -0.327 -2.157 -1.683 1.00 0.00 C ATOM 1057 CD1 ILE A 72 2.525 -0.495 -2.397 1.00 0.00 C ATOM 0 H ILE A 72 0.891 -1.436 -5.366 1.00 0.00 H new ATOM 0 HA ILE A 72 0.865 -3.765 -3.942 1.00 0.00 H new ATOM 0 HB ILE A 72 0.159 -0.908 -3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.150 -2.496 -1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.507 -2.335 -3.473 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.088 -1.401 -0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.393 -2.121 -1.907 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.070 -3.143 -1.297 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.591 -0.566 -2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.375 0.122 -3.283 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.012 -0.042 -1.549 1.00 0.00 H new ATOM 1069 N VAL A 73 -2.201 -2.605 -3.670 1.00 0.00 N ATOM 1070 CA VAL A 73 -3.588 -3.031 -3.527 1.00 0.00 C ATOM 1071 C VAL A 73 -4.511 -2.293 -4.490 1.00 0.00 C ATOM 1072 O VAL A 73 -4.178 -1.224 -4.997 1.00 0.00 O ATOM 1073 CB VAL A 73 -4.094 -2.817 -2.089 1.00 0.00 C ATOM 1074 CG1 VAL A 73 -3.231 -3.582 -1.097 1.00 0.00 C ATOM 1075 CG2 VAL A 73 -4.124 -1.334 -1.746 1.00 0.00 C ATOM 0 H VAL A 73 -2.045 -1.607 -3.526 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.608 -4.095 -3.764 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.111 -3.203 -2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.605 -3.417 -0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.267 -4.647 -1.329 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.201 -3.231 -1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.484 -1.204 -0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.119 -0.920 -1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.790 -0.815 -2.435 1.00 0.00 H new ATOM 1085 N VAL A 74 -5.679 -2.878 -4.727 1.00 0.00 N ATOM 1086 CA VAL A 74 -6.677 -2.295 -5.617 1.00 0.00 C ATOM 1087 C VAL A 74 -8.028 -2.238 -4.915 1.00 0.00 C ATOM 1088 O VAL A 74 -8.550 -3.264 -4.481 1.00 0.00 O ATOM 1089 CB VAL A 74 -6.809 -3.115 -6.916 1.00 0.00 C ATOM 1090 CG1 VAL A 74 -7.863 -2.513 -7.830 1.00 0.00 C ATOM 1091 CG2 VAL A 74 -5.464 -3.210 -7.625 1.00 0.00 C ATOM 0 H VAL A 74 -5.961 -3.765 -4.310 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.352 -1.287 -5.874 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.129 -4.124 -6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.938 -3.108 -8.740 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.826 -2.506 -7.320 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.582 -1.492 -8.087 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.575 -3.792 -8.540 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.112 -2.209 -7.873 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.741 -3.697 -6.971 1.00 0.00 H new ATOM 1101 N VAL A 75 -8.577 -1.034 -4.776 1.00 0.00 N ATOM 1102 CA VAL A 75 -9.849 -0.850 -4.094 1.00 0.00 C ATOM 1103 C VAL A 75 -10.963 -0.411 -5.037 1.00 0.00 C ATOM 1104 O VAL A 75 -10.710 0.183 -6.084 1.00 0.00 O ATOM 1105 CB VAL A 75 -9.711 0.201 -2.985 1.00 0.00 C ATOM 1106 CG1 VAL A 75 -8.656 -0.219 -1.976 1.00 0.00 C ATOM 1107 CG2 VAL A 75 -9.377 1.556 -3.586 1.00 0.00 C ATOM 0 H VAL A 75 -8.159 -0.173 -5.128 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.116 -1.821 -3.676 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.663 0.282 -2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.574 0.540 -1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.941 -1.170 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.695 -0.329 -2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -9.282 2.294 -2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.437 1.489 -4.134 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.173 1.858 -4.267 1.00 0.00 H new ATOM 1117 N GLU A 76 -12.201 -0.688 -4.633 1.00 0.00 N ATOM 1118 CA GLU A 76 -13.367 -0.305 -5.417 1.00 0.00 C ATOM 1119 C GLU A 76 -13.462 1.217 -5.486 1.00 0.00 C ATOM 1120 O GLU A 76 -13.928 1.781 -6.476 1.00 0.00 O ATOM 1121 CB GLU A 76 -14.639 -0.889 -4.796 1.00 0.00 C ATOM 1122 CG GLU A 76 -15.601 -1.473 -5.818 1.00 0.00 C ATOM 1123 CD GLU A 76 -16.990 -0.873 -5.720 1.00 0.00 C ATOM 1124 OE1 GLU A 76 -17.123 0.352 -5.923 1.00 0.00 O ATOM 1125 OE2 GLU A 76 -17.945 -1.627 -5.439 1.00 0.00 O ATOM 0 H GLU A 76 -12.420 -1.177 -3.765 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.263 -0.701 -6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.362 -1.666 -4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.150 -0.108 -4.233 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.207 -1.305 -6.820 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.664 -2.552 -5.677 1.00 0.00 H new ATOM 1132 N ALA A 77 -12.991 1.865 -4.425 1.00 0.00 N ATOM 1133 CA ALA A 77 -12.980 3.319 -4.329 1.00 0.00 C ATOM 1134 C ALA A 77 -14.353 3.946 -4.575 1.00 0.00 C ATOM 1135 O ALA A 77 -15.239 3.333 -5.171 1.00 0.00 O ATOM 1136 CB ALA A 77 -11.959 3.887 -5.290 1.00 0.00 C ATOM 0 H ALA A 77 -12.606 1.395 -3.606 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.706 3.571 -3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.954 4.974 -5.215 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.970 3.502 -5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.216 3.595 -6.308 1.00 0.00 H new