USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 ASN : amide:sc= 0.626 K(o=1.8,f=-13!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 177:sc= 1.18 (180deg=-0.00457) USER MOD Set 2.1: A 5 HIS : no HD1:sc= -0.659 X(o=-0.66,f=-0.22) USER MOD Set 2.2: A 6 SER OG : rot -150:sc=-0.00205 USER MOD Single : A 4 LYS NZ :NH3+ -170:sc=-0.00264 (180deg=-0.103) USER MOD Single : A 8 SER OG : rot -34:sc= 0.175 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.398 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= -0.0119 (180deg=-0.135) USER MOD Single : A 23 CYS SG : rot 70:sc= 0.694 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.417 K(o=0.42,f=-8.3!) USER MOD Single : A 35 LYS NZ :NH3+ 174:sc= 0.665 (180deg=0.645) USER MOD Single : A 44 THR OG1 : rot -94:sc= 1.41 USER MOD Single : A 46 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-4.8) USER MOD Single : A 50 SER OG : rot -93:sc= 1.35 USER MOD Single : A 54 TYR OH : rot -17:sc= 0.992 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 170:sc= 0.498 USER MOD Single : A 69 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.2) USER MOD Single : A 72 LYS NZ :NH3+ 177:sc= 0.57 (180deg=0.401) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -173:sc= 1.2 (180deg=1.05) USER MOD Single : A 85 GLN : amide:sc= -0.399 K(o=-0.4,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 12.320 7.131 -8.234 1.00 0.00 N ATOM 2 CA GLU A 2 11.625 8.389 -8.489 1.00 0.00 C ATOM 3 C GLU A 2 11.388 9.079 -7.163 1.00 0.00 C ATOM 4 O GLU A 2 11.450 8.425 -6.118 1.00 0.00 O ATOM 5 CB GLU A 2 10.305 8.146 -9.269 1.00 0.00 C ATOM 6 CG GLU A 2 9.338 7.173 -8.605 1.00 0.00 C ATOM 7 CD GLU A 2 8.120 6.872 -9.448 1.00 0.00 C ATOM 8 OE1 GLU A 2 7.115 7.595 -9.337 1.00 0.00 O ATOM 9 OE2 GLU A 2 8.141 5.896 -10.236 1.00 0.00 O ATOM 0 HA GLU A 2 12.235 9.036 -9.119 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.799 9.102 -9.406 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.551 7.771 -10.262 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.861 6.241 -8.390 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.017 7.586 -7.649 1.00 0.00 H new ATOM 16 N LEU A 3 11.158 10.377 -7.178 1.00 0.00 N ATOM 17 CA LEU A 3 10.966 11.107 -5.946 1.00 0.00 C ATOM 18 C LEU A 3 9.633 11.790 -5.855 1.00 0.00 C ATOM 19 O LEU A 3 9.263 12.618 -6.691 1.00 0.00 O ATOM 20 CB LEU A 3 12.111 12.078 -5.638 1.00 0.00 C ATOM 21 CG LEU A 3 13.398 11.445 -5.097 1.00 0.00 C ATOM 22 CD1 LEU A 3 14.489 12.495 -4.961 1.00 0.00 C ATOM 23 CD2 LEU A 3 13.133 10.777 -3.741 1.00 0.00 C ATOM 0 H LEU A 3 11.100 10.943 -8.025 1.00 0.00 H new ATOM 0 HA LEU A 3 10.977 10.341 -5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.353 12.625 -6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.756 12.810 -4.912 1.00 0.00 H new ATOM 0 HG LEU A 3 13.733 10.685 -5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.396 12.029 -4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.694 12.936 -5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.161 13.274 -4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.055 10.332 -3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.778 11.524 -3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.377 10.001 -3.859 1.00 0.00 H new ATOM 35 N LYS A 4 8.925 11.404 -4.856 1.00 0.00 N ATOM 36 CA LYS A 4 7.651 11.958 -4.498 1.00 0.00 C ATOM 37 C LYS A 4 7.878 13.112 -3.516 1.00 0.00 C ATOM 38 O LYS A 4 9.013 13.562 -3.322 1.00 0.00 O ATOM 39 CB LYS A 4 6.904 10.862 -3.764 1.00 0.00 C ATOM 40 CG LYS A 4 7.653 10.425 -2.502 1.00 0.00 C ATOM 41 CD LYS A 4 7.123 9.158 -1.933 1.00 0.00 C ATOM 42 CE LYS A 4 7.887 8.755 -0.684 1.00 0.00 C ATOM 43 NZ LYS A 4 9.289 8.391 -0.952 1.00 0.00 N ATOM 0 H LYS A 4 9.225 10.657 -4.229 1.00 0.00 H new ATOM 0 HA LYS A 4 7.108 12.314 -5.373 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.909 11.215 -3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.770 10.005 -4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.710 10.300 -2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.584 11.213 -1.752 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.066 9.278 -1.693 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.193 8.365 -2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.863 9.578 0.030 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.383 7.910 -0.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.707 7.967 -0.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.326 7.706 -1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.825 9.243 -1.213 1.00 0.00 H new ATOM 57 N HIS A 5 6.815 13.589 -2.924 1.00 0.00 N ATOM 58 CA HIS A 5 6.918 14.489 -1.792 1.00 0.00 C ATOM 59 C HIS A 5 6.327 13.791 -0.561 1.00 0.00 C ATOM 60 O HIS A 5 6.750 14.025 0.568 1.00 0.00 O ATOM 61 CB HIS A 5 6.258 15.867 -2.065 1.00 0.00 C ATOM 62 CG HIS A 5 4.809 15.817 -2.441 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.369 15.646 -3.723 1.00 0.00 N ATOM 64 CD2 HIS A 5 3.700 15.898 -1.674 1.00 0.00 C ATOM 65 CE1 HIS A 5 3.045 15.619 -3.709 1.00 0.00 C ATOM 66 NE2 HIS A 5 2.581 15.770 -2.483 1.00 0.00 N ATOM 0 H HIS A 5 5.859 13.371 -3.205 1.00 0.00 H new ATOM 0 HA HIS A 5 7.969 14.713 -1.608 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.364 16.486 -1.174 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.808 16.363 -2.865 1.00 0.00 H new ATOM 0 HD2 HIS A 5 3.687 16.040 -0.603 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.427 15.490 -4.585 1.00 0.00 H new ATOM 0 HE2 HIS A 5 1.604 15.789 -2.191 1.00 0.00 H new ATOM 74 N SER A 6 5.387 12.883 -0.810 1.00 0.00 N ATOM 75 CA SER A 6 4.729 12.107 0.223 1.00 0.00 C ATOM 76 C SER A 6 3.969 10.992 -0.456 1.00 0.00 C ATOM 77 O SER A 6 4.094 10.823 -1.680 1.00 0.00 O ATOM 78 CB SER A 6 3.741 12.992 0.969 1.00 0.00 C ATOM 79 OG SER A 6 2.704 13.436 0.108 1.00 0.00 O ATOM 0 H SER A 6 5.060 12.667 -1.752 1.00 0.00 H new ATOM 0 HA SER A 6 5.461 11.710 0.927 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.312 12.440 1.805 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.263 13.852 1.389 1.00 0.00 H new ATOM 0 HG SER A 6 2.383 14.312 0.408 1.00 0.00 H new ATOM 85 N ILE A 7 3.172 10.253 0.303 1.00 0.00 N ATOM 86 CA ILE A 7 2.295 9.258 -0.274 1.00 0.00 C ATOM 87 C ILE A 7 1.182 9.958 -1.082 1.00 0.00 C ATOM 88 O ILE A 7 0.612 9.383 -1.988 1.00 0.00 O ATOM 89 CB ILE A 7 1.650 8.354 0.804 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.837 7.246 0.125 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.774 9.177 1.746 1.00 0.00 C ATOM 92 CD1 ILE A 7 0.153 6.324 1.071 1.00 0.00 C ATOM 0 H ILE A 7 3.118 10.328 1.319 1.00 0.00 H new ATOM 0 HA ILE A 7 2.899 8.625 -0.924 1.00 0.00 H new ATOM 0 HB ILE A 7 2.437 7.896 1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.089 7.704 -0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.500 6.665 -0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.330 8.522 2.496 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.383 9.934 2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.017 9.663 1.175 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.399 5.571 0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.895 5.835 1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.538 6.890 1.695 1.00 0.00 H new ATOM 104 N SER A 8 0.941 11.235 -0.779 1.00 0.00 N ATOM 105 CA SER A 8 -0.083 11.996 -1.446 1.00 0.00 C ATOM 106 C SER A 8 0.358 12.326 -2.873 1.00 0.00 C ATOM 107 O SER A 8 -0.418 12.878 -3.661 1.00 0.00 O ATOM 108 CB SER A 8 -0.425 13.271 -0.645 1.00 0.00 C ATOM 109 OG SER A 8 -1.497 14.006 -1.238 1.00 0.00 O ATOM 0 H SER A 8 1.454 11.756 -0.067 1.00 0.00 H new ATOM 0 HA SER A 8 -0.992 11.397 -1.503 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.695 12.997 0.375 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.458 13.907 -0.581 1.00 0.00 H new ATOM 0 HG SER A 8 -1.448 13.927 -2.214 1.00 0.00 H new ATOM 115 N ASP A 9 1.620 12.033 -3.188 1.00 0.00 N ATOM 116 CA ASP A 9 2.084 12.144 -4.569 1.00 0.00 C ATOM 117 C ASP A 9 1.647 10.919 -5.376 1.00 0.00 C ATOM 118 O ASP A 9 1.430 10.993 -6.591 1.00 0.00 O ATOM 119 CB ASP A 9 3.590 12.301 -4.662 1.00 0.00 C ATOM 120 CG ASP A 9 4.033 12.522 -6.093 1.00 0.00 C ATOM 121 OD1 ASP A 9 3.826 13.641 -6.623 1.00 0.00 O ATOM 122 OD2 ASP A 9 4.610 11.616 -6.699 1.00 0.00 O ATOM 0 H ASP A 9 2.326 11.723 -2.520 1.00 0.00 H new ATOM 0 HA ASP A 9 1.630 13.044 -4.984 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.909 13.142 -4.046 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.076 11.411 -4.262 1.00 0.00 H new ATOM 127 N TYR A 10 1.484 9.808 -4.690 1.00 0.00 N ATOM 128 CA TYR A 10 1.029 8.591 -5.318 1.00 0.00 C ATOM 129 C TYR A 10 -0.459 8.673 -5.509 1.00 0.00 C ATOM 130 O TYR A 10 -1.175 9.124 -4.624 1.00 0.00 O ATOM 131 CB TYR A 10 1.318 7.346 -4.457 1.00 0.00 C ATOM 132 CG TYR A 10 2.757 6.884 -4.364 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.653 7.477 -3.494 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.199 5.806 -5.123 1.00 0.00 C ATOM 135 CE1 TYR A 10 4.945 7.011 -3.383 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.495 5.341 -5.022 1.00 0.00 C ATOM 137 CZ TYR A 10 5.363 5.947 -4.148 1.00 0.00 C ATOM 138 OH TYR A 10 6.655 5.478 -4.023 1.00 0.00 O ATOM 0 H TYR A 10 1.662 9.725 -3.689 1.00 0.00 H new ATOM 0 HA TYR A 10 1.561 8.493 -6.264 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.962 7.545 -3.446 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.723 6.520 -4.848 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.336 8.317 -2.893 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.515 5.323 -5.805 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.631 7.482 -2.694 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.823 4.508 -5.625 1.00 0.00 H new ATOM 0 HH TYR A 10 6.789 4.722 -4.632 1.00 0.00 H new ATOM 148 N THR A 11 -0.918 8.284 -6.647 1.00 0.00 N ATOM 149 CA THR A 11 -2.325 8.184 -6.885 1.00 0.00 C ATOM 150 C THR A 11 -2.759 6.817 -6.388 1.00 0.00 C ATOM 151 O THR A 11 -1.900 6.037 -5.917 1.00 0.00 O ATOM 152 CB THR A 11 -2.594 8.276 -8.391 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.771 7.313 -9.063 1.00 0.00 O ATOM 154 CG2 THR A 11 -2.287 9.663 -8.924 1.00 0.00 C ATOM 0 H THR A 11 -0.334 8.025 -7.442 1.00 0.00 H new ATOM 0 HA THR A 11 -2.866 8.983 -6.378 1.00 0.00 H new ATOM 0 HB THR A 11 -3.650 8.074 -8.571 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.934 7.360 -10.028 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.488 9.694 -9.995 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.914 10.395 -8.415 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.238 9.897 -8.745 1.00 0.00 H new ATOM 162 N GLU A 12 -4.053 6.491 -6.475 1.00 0.00 N ATOM 163 CA GLU A 12 -4.480 5.142 -6.139 1.00 0.00 C ATOM 164 C GLU A 12 -3.763 4.191 -7.064 1.00 0.00 C ATOM 165 O GLU A 12 -3.250 3.208 -6.639 1.00 0.00 O ATOM 166 CB GLU A 12 -5.999 4.953 -6.284 1.00 0.00 C ATOM 167 CG GLU A 12 -6.486 3.538 -5.958 1.00 0.00 C ATOM 168 CD GLU A 12 -7.971 3.361 -6.165 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.749 3.644 -5.231 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.400 2.958 -7.268 1.00 0.00 O ATOM 0 H GLU A 12 -4.797 7.125 -6.766 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.236 4.948 -5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.507 5.661 -5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.289 5.200 -7.305 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.950 2.823 -6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.239 3.305 -4.922 1.00 0.00 H new ATOM 177 N ALA A 13 -3.657 4.588 -8.316 1.00 0.00 N ATOM 178 CA ALA A 13 -3.033 3.783 -9.363 1.00 0.00 C ATOM 179 C ALA A 13 -1.548 3.514 -9.096 1.00 0.00 C ATOM 180 O ALA A 13 -1.105 2.359 -9.159 1.00 0.00 O ATOM 181 CB ALA A 13 -3.212 4.445 -10.707 1.00 0.00 C ATOM 0 H ALA A 13 -4.004 5.489 -8.646 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.536 2.816 -9.363 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.742 3.835 -11.479 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.275 4.548 -10.923 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.748 5.431 -10.692 1.00 0.00 H new ATOM 187 N GLU A 14 -0.793 4.568 -8.792 1.00 0.00 N ATOM 188 CA GLU A 14 0.650 4.449 -8.504 1.00 0.00 C ATOM 189 C GLU A 14 0.882 3.637 -7.258 1.00 0.00 C ATOM 190 O GLU A 14 1.797 2.821 -7.193 1.00 0.00 O ATOM 191 CB GLU A 14 1.296 5.827 -8.347 1.00 0.00 C ATOM 192 CG GLU A 14 1.357 6.664 -9.615 1.00 0.00 C ATOM 193 CD GLU A 14 2.250 6.051 -10.661 1.00 0.00 C ATOM 194 OE1 GLU A 14 3.458 5.900 -10.407 1.00 0.00 O ATOM 195 OE2 GLU A 14 1.771 5.737 -11.764 1.00 0.00 O ATOM 0 H GLU A 14 -1.151 5.521 -8.737 1.00 0.00 H new ATOM 0 HA GLU A 14 1.112 3.940 -9.350 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.745 6.384 -7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.310 5.694 -7.970 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.352 6.779 -10.021 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.719 7.663 -9.371 1.00 0.00 H new ATOM 202 N PHE A 15 0.048 3.840 -6.285 1.00 0.00 N ATOM 203 CA PHE A 15 0.162 3.115 -5.059 1.00 0.00 C ATOM 204 C PHE A 15 -0.313 1.701 -5.264 1.00 0.00 C ATOM 205 O PHE A 15 0.169 0.802 -4.666 1.00 0.00 O ATOM 206 CB PHE A 15 -0.589 3.801 -3.948 1.00 0.00 C ATOM 207 CG PHE A 15 -0.264 3.262 -2.606 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.833 3.738 -1.914 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.053 2.297 -2.025 1.00 0.00 C ATOM 210 CE1 PHE A 15 1.135 3.251 -0.672 1.00 0.00 C ATOM 211 CE2 PHE A 15 -0.760 1.816 -0.786 1.00 0.00 C ATOM 212 CZ PHE A 15 0.333 2.286 -0.110 1.00 0.00 C ATOM 0 H PHE A 15 -0.724 4.506 -6.318 1.00 0.00 H new ATOM 0 HA PHE A 15 1.209 3.087 -4.758 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.363 4.867 -3.969 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.660 3.699 -4.124 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.457 4.500 -2.357 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.913 1.917 -2.557 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.997 3.622 -0.137 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.390 1.063 -0.336 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.567 1.897 0.870 1.00 0.00 H new ATOM 222 N LEU A 16 -1.249 1.522 -6.116 1.00 0.00 N ATOM 223 CA LEU A 16 -1.747 0.205 -6.433 1.00 0.00 C ATOM 224 C LEU A 16 -0.667 -0.608 -7.130 1.00 0.00 C ATOM 225 O LEU A 16 -0.651 -1.835 -7.086 1.00 0.00 O ATOM 226 CB LEU A 16 -3.037 0.352 -7.231 1.00 0.00 C ATOM 227 CG LEU A 16 -3.866 -0.857 -7.439 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.310 -0.450 -7.608 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.441 -1.592 -8.651 1.00 0.00 C ATOM 0 H LEU A 16 -1.706 2.278 -6.626 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.994 -0.356 -5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.655 1.099 -6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.780 0.753 -8.211 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.746 -1.505 -6.571 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.923 -1.338 -7.761 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.647 0.074 -6.714 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.404 0.209 -8.471 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.067 -2.475 -8.779 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.543 -0.946 -9.523 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.400 -1.897 -8.545 1.00 0.00 H new ATOM 241 N GLU A 17 0.221 0.073 -7.740 1.00 0.00 N ATOM 242 CA GLU A 17 1.378 -0.563 -8.283 1.00 0.00 C ATOM 243 C GLU A 17 2.391 -0.891 -7.195 1.00 0.00 C ATOM 244 O GLU A 17 3.221 -1.732 -7.408 1.00 0.00 O ATOM 245 CB GLU A 17 2.038 0.209 -9.408 1.00 0.00 C ATOM 246 CG GLU A 17 1.191 0.303 -10.646 1.00 0.00 C ATOM 247 CD GLU A 17 1.945 0.866 -11.802 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.635 0.092 -12.512 1.00 0.00 O ATOM 249 OE2 GLU A 17 1.862 2.072 -12.046 1.00 0.00 O ATOM 0 H GLU A 17 0.178 1.082 -7.883 1.00 0.00 H new ATOM 0 HA GLU A 17 1.014 -1.490 -8.725 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.272 1.215 -9.060 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.985 -0.269 -9.660 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.818 -0.688 -10.905 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.321 0.928 -10.443 1.00 0.00 H new ATOM 256 N PHE A 18 2.308 -0.212 -6.018 1.00 0.00 N ATOM 257 CA PHE A 18 3.225 -0.503 -4.863 1.00 0.00 C ATOM 258 C PHE A 18 3.151 -1.964 -4.572 1.00 0.00 C ATOM 259 O PHE A 18 4.148 -2.661 -4.544 1.00 0.00 O ATOM 260 CB PHE A 18 2.859 0.316 -3.516 1.00 0.00 C ATOM 261 CG PHE A 18 2.143 -0.467 -2.322 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.754 -0.638 -2.263 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.881 -1.016 -1.285 1.00 0.00 C ATOM 264 CE1 PHE A 18 0.148 -1.330 -1.206 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.274 -1.698 -0.240 1.00 0.00 C ATOM 266 CZ PHE A 18 0.915 -1.852 -0.204 1.00 0.00 C ATOM 0 H PHE A 18 1.631 0.529 -5.838 1.00 0.00 H new ATOM 0 HA PHE A 18 4.226 -0.187 -5.156 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.783 0.743 -3.126 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.216 1.150 -3.799 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.137 -0.228 -3.049 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.956 -0.910 -1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.925 -1.450 -1.184 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.880 -2.111 0.553 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.451 -2.384 0.613 1.00 0.00 H new ATOM 276 N VAL A 19 1.944 -2.416 -4.456 1.00 0.00 N ATOM 277 CA VAL A 19 1.665 -3.747 -4.052 1.00 0.00 C ATOM 278 C VAL A 19 1.994 -4.740 -5.148 1.00 0.00 C ATOM 279 O VAL A 19 2.623 -5.752 -4.887 1.00 0.00 O ATOM 280 CB VAL A 19 0.206 -3.879 -3.519 1.00 0.00 C ATOM 281 CG1 VAL A 19 -0.819 -3.513 -4.552 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.056 -5.230 -2.899 1.00 0.00 C ATOM 0 H VAL A 19 1.112 -1.856 -4.644 1.00 0.00 H new ATOM 0 HA VAL A 19 2.320 -3.995 -3.217 1.00 0.00 H new ATOM 0 HB VAL A 19 0.104 -3.147 -2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.817 -3.622 -4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.668 -2.479 -4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.717 -4.171 -5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.085 -5.273 -2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.103 -6.009 -3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.625 -5.384 -2.062 1.00 0.00 H new ATOM 292 N LYS A 20 1.630 -4.408 -6.378 1.00 0.00 N ATOM 293 CA LYS A 20 1.930 -5.263 -7.508 1.00 0.00 C ATOM 294 C LYS A 20 3.439 -5.388 -7.677 1.00 0.00 C ATOM 295 O LYS A 20 3.968 -6.459 -7.984 1.00 0.00 O ATOM 296 CB LYS A 20 1.358 -4.698 -8.785 1.00 0.00 C ATOM 297 CG LYS A 20 -0.137 -4.608 -8.806 1.00 0.00 C ATOM 298 CD LYS A 20 -0.589 -4.282 -10.181 1.00 0.00 C ATOM 299 CE LYS A 20 -2.078 -4.176 -10.314 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.484 -4.062 -11.733 1.00 0.00 N ATOM 0 H LYS A 20 1.127 -3.553 -6.615 1.00 0.00 H new ATOM 0 HA LYS A 20 1.483 -6.238 -7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.772 -3.703 -8.945 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.684 -5.317 -9.620 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.574 -5.552 -8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.477 -3.843 -8.108 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.137 -3.339 -10.489 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.225 -5.048 -10.865 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.548 -5.052 -9.868 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.434 -3.307 -9.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.520 -3.990 -11.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.053 -3.212 -12.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.165 -4.903 -12.254 1.00 0.00 H new ATOM 314 N LYS A 21 4.125 -4.275 -7.449 1.00 0.00 N ATOM 315 CA LYS A 21 5.559 -4.205 -7.528 1.00 0.00 C ATOM 316 C LYS A 21 6.165 -5.102 -6.475 1.00 0.00 C ATOM 317 O LYS A 21 7.092 -5.790 -6.747 1.00 0.00 O ATOM 318 CB LYS A 21 6.040 -2.756 -7.365 1.00 0.00 C ATOM 319 CG LYS A 21 7.514 -2.513 -7.652 1.00 0.00 C ATOM 320 CD LYS A 21 7.812 -1.024 -7.572 1.00 0.00 C ATOM 321 CE LYS A 21 9.258 -0.693 -7.907 1.00 0.00 C ATOM 322 NZ LYS A 21 9.647 -1.128 -9.275 1.00 0.00 N ATOM 0 H LYS A 21 3.685 -3.389 -7.201 1.00 0.00 H new ATOM 0 HA LYS A 21 5.883 -4.549 -8.510 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.451 -2.121 -8.026 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.830 -2.436 -6.344 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.129 -3.056 -6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.769 -2.892 -8.641 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.154 -0.489 -8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.586 -0.666 -6.568 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.410 0.382 -7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.913 -1.171 -7.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.579 -0.732 -9.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.693 -2.166 -9.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.942 -0.790 -9.960 1.00 0.00 H new ATOM 336 N ILE A 22 5.596 -5.121 -5.290 1.00 0.00 N ATOM 337 CA ILE A 22 6.079 -6.003 -4.223 1.00 0.00 C ATOM 338 C ILE A 22 5.829 -7.469 -4.612 1.00 0.00 C ATOM 339 O ILE A 22 6.692 -8.338 -4.419 1.00 0.00 O ATOM 340 CB ILE A 22 5.397 -5.695 -2.864 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.624 -4.234 -2.493 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.961 -6.599 -1.774 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.929 -3.794 -1.243 1.00 0.00 C ATOM 0 H ILE A 22 4.798 -4.541 -5.030 1.00 0.00 H new ATOM 0 HA ILE A 22 7.148 -5.827 -4.103 1.00 0.00 H new ATOM 0 HB ILE A 22 4.327 -5.881 -2.956 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.694 -4.064 -2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.289 -3.607 -3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.474 -6.373 -0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.779 -7.641 -2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.034 -6.430 -1.680 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.147 -2.742 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.853 -3.927 -1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.280 -4.392 -0.402 1.00 0.00 H new ATOM 355 N CYS A 23 4.664 -7.718 -5.200 1.00 0.00 N ATOM 356 CA CYS A 23 4.283 -9.029 -5.680 1.00 0.00 C ATOM 357 C CYS A 23 5.297 -9.580 -6.711 1.00 0.00 C ATOM 358 O CYS A 23 5.560 -10.782 -6.755 1.00 0.00 O ATOM 359 CB CYS A 23 2.870 -8.976 -6.286 1.00 0.00 C ATOM 360 SG CYS A 23 1.555 -8.645 -5.090 1.00 0.00 S ATOM 0 H CYS A 23 3.954 -7.003 -5.356 1.00 0.00 H new ATOM 0 HA CYS A 23 4.283 -9.711 -4.830 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.847 -8.204 -7.056 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.664 -9.925 -6.780 1.00 0.00 H new ATOM 0 HG CYS A 23 1.645 -7.416 -4.675 1.00 0.00 H new ATOM 366 N ARG A 24 5.871 -8.696 -7.522 1.00 0.00 N ATOM 367 CA ARG A 24 6.830 -9.112 -8.537 1.00 0.00 C ATOM 368 C ARG A 24 8.303 -8.918 -8.122 1.00 0.00 C ATOM 369 O ARG A 24 9.113 -9.825 -8.257 1.00 0.00 O ATOM 370 CB ARG A 24 6.579 -8.417 -9.867 1.00 0.00 C ATOM 371 CG ARG A 24 6.615 -6.914 -9.812 1.00 0.00 C ATOM 372 CD ARG A 24 6.886 -6.357 -11.165 1.00 0.00 C ATOM 373 NE ARG A 24 8.227 -6.744 -11.627 1.00 0.00 N ATOM 374 CZ ARG A 24 8.936 -6.137 -12.584 1.00 0.00 C ATOM 375 NH1 ARG A 24 8.410 -5.139 -13.295 1.00 0.00 N ATOM 376 NH2 ARG A 24 10.164 -6.568 -12.852 1.00 0.00 N ATOM 0 H ARG A 24 5.689 -7.693 -7.496 1.00 0.00 H new ATOM 0 HA ARG A 24 6.667 -10.184 -8.650 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.325 -8.758 -10.585 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.606 -8.729 -10.246 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.665 -6.534 -9.438 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.386 -6.587 -9.115 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.136 -6.717 -11.869 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.804 -5.270 -11.140 1.00 0.00 H new ATOM 0 HE ARG A 24 8.657 -7.551 -11.175 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.455 -4.830 -13.112 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.962 -4.685 -14.022 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.554 -7.353 -12.330 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.716 -6.114 -13.580 1.00 0.00 H new ATOM 390 N ALA A 25 8.608 -7.760 -7.565 1.00 0.00 N ATOM 391 CA ALA A 25 9.970 -7.309 -7.230 1.00 0.00 C ATOM 392 C ALA A 25 10.398 -7.791 -5.855 1.00 0.00 C ATOM 393 O ALA A 25 11.284 -7.189 -5.214 1.00 0.00 O ATOM 394 CB ALA A 25 10.063 -5.793 -7.312 1.00 0.00 C ATOM 0 H ALA A 25 7.895 -7.073 -7.319 1.00 0.00 H new ATOM 0 HA ALA A 25 10.651 -7.746 -7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.076 -5.477 -7.062 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.821 -5.468 -8.324 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.359 -5.347 -6.609 1.00 0.00 H new ATOM 400 N GLU A 26 9.749 -8.862 -5.411 1.00 0.00 N ATOM 401 CA GLU A 26 9.963 -9.539 -4.120 1.00 0.00 C ATOM 402 C GLU A 26 11.453 -9.838 -3.817 1.00 0.00 C ATOM 403 O GLU A 26 11.798 -10.192 -2.689 1.00 0.00 O ATOM 404 CB GLU A 26 9.191 -10.851 -4.117 1.00 0.00 C ATOM 405 CG GLU A 26 9.619 -11.796 -5.229 1.00 0.00 C ATOM 406 CD GLU A 26 8.980 -13.143 -5.136 1.00 0.00 C ATOM 407 OE1 GLU A 26 9.394 -13.942 -4.272 1.00 0.00 O ATOM 408 OE2 GLU A 26 8.098 -13.462 -5.952 1.00 0.00 O ATOM 0 H GLU A 26 9.020 -9.311 -5.965 1.00 0.00 H new ATOM 0 HA GLU A 26 9.610 -8.859 -3.345 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.329 -11.345 -3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.126 -10.640 -4.217 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.371 -11.349 -6.192 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.702 -11.912 -5.201 1.00 0.00 H new ATOM 415 N GLY A 27 12.291 -9.770 -4.831 1.00 0.00 N ATOM 416 CA GLY A 27 13.697 -9.920 -4.660 1.00 0.00 C ATOM 417 C GLY A 27 14.132 -11.344 -4.736 1.00 0.00 C ATOM 418 O GLY A 27 14.257 -11.910 -5.832 1.00 0.00 O ATOM 0 H GLY A 27 12.002 -9.608 -5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.217 -9.343 -5.425 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.989 -9.505 -3.695 1.00 0.00 H new ATOM 422 N ALA A 28 14.344 -11.923 -3.584 1.00 0.00 N ATOM 423 CA ALA A 28 14.799 -13.287 -3.465 1.00 0.00 C ATOM 424 C ALA A 28 14.369 -13.828 -2.125 1.00 0.00 C ATOM 425 O ALA A 28 13.657 -14.826 -2.029 1.00 0.00 O ATOM 426 CB ALA A 28 16.316 -13.336 -3.566 1.00 0.00 C ATOM 0 H ALA A 28 14.204 -11.456 -2.688 1.00 0.00 H new ATOM 0 HA ALA A 28 14.369 -13.888 -4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.654 -14.368 -3.475 1.00 0.00 H new ATOM 0 HB2 ALA A 28 16.630 -12.935 -4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.753 -12.740 -2.765 1.00 0.00 H new ATOM 432 N THR A 29 14.787 -13.146 -1.092 1.00 0.00 N ATOM 433 CA THR A 29 14.484 -13.528 0.247 1.00 0.00 C ATOM 434 C THR A 29 13.273 -12.710 0.717 1.00 0.00 C ATOM 435 O THR A 29 12.956 -11.664 0.131 1.00 0.00 O ATOM 436 CB THR A 29 15.711 -13.237 1.134 1.00 0.00 C ATOM 437 OG1 THR A 29 16.908 -13.656 0.432 1.00 0.00 O ATOM 438 CG2 THR A 29 15.639 -14.004 2.446 1.00 0.00 C ATOM 0 H THR A 29 15.354 -12.301 -1.166 1.00 0.00 H new ATOM 0 HA THR A 29 14.248 -14.590 0.309 1.00 0.00 H new ATOM 0 HB THR A 29 15.730 -12.169 1.349 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.694 -13.473 0.988 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.518 -13.777 3.049 1.00 0.00 H new ATOM 0 HG22 THR A 29 14.741 -13.711 2.990 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.606 -15.074 2.241 1.00 0.00 H new ATOM 446 N GLU A 30 12.617 -13.184 1.754 1.00 0.00 N ATOM 447 CA GLU A 30 11.438 -12.548 2.334 1.00 0.00 C ATOM 448 C GLU A 30 11.747 -11.106 2.762 1.00 0.00 C ATOM 449 O GLU A 30 10.900 -10.213 2.637 1.00 0.00 O ATOM 450 CB GLU A 30 10.967 -13.379 3.528 1.00 0.00 C ATOM 451 CG GLU A 30 9.770 -12.801 4.253 1.00 0.00 C ATOM 452 CD GLU A 30 9.457 -13.491 5.544 1.00 0.00 C ATOM 453 OE1 GLU A 30 10.040 -13.120 6.580 1.00 0.00 O ATOM 454 OE2 GLU A 30 8.614 -14.397 5.564 1.00 0.00 O ATOM 0 H GLU A 30 12.889 -14.042 2.234 1.00 0.00 H new ATOM 0 HA GLU A 30 10.646 -12.503 1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.719 -14.383 3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.791 -13.480 4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.952 -11.745 4.451 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.899 -12.858 3.600 1.00 0.00 H new ATOM 461 N GLU A 31 12.968 -10.891 3.231 1.00 0.00 N ATOM 462 CA GLU A 31 13.430 -9.568 3.639 1.00 0.00 C ATOM 463 C GLU A 31 13.423 -8.575 2.465 1.00 0.00 C ATOM 464 O GLU A 31 13.258 -7.380 2.661 1.00 0.00 O ATOM 465 CB GLU A 31 14.830 -9.648 4.238 1.00 0.00 C ATOM 466 CG GLU A 31 15.854 -10.322 3.338 1.00 0.00 C ATOM 467 CD GLU A 31 17.250 -10.150 3.845 1.00 0.00 C ATOM 468 OE1 GLU A 31 17.637 -10.820 4.803 1.00 0.00 O ATOM 469 OE2 GLU A 31 17.998 -9.328 3.263 1.00 0.00 O ATOM 0 H GLU A 31 13.667 -11.626 3.340 1.00 0.00 H new ATOM 0 HA GLU A 31 12.735 -9.204 4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.173 -8.639 4.468 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.779 -10.191 5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.625 -11.385 3.262 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.781 -9.908 2.333 1.00 0.00 H new ATOM 476 N ASP A 32 13.572 -9.080 1.246 1.00 0.00 N ATOM 477 CA ASP A 32 13.574 -8.222 0.066 1.00 0.00 C ATOM 478 C ASP A 32 12.187 -7.715 -0.203 1.00 0.00 C ATOM 479 O ASP A 32 11.998 -6.556 -0.579 1.00 0.00 O ATOM 480 CB ASP A 32 14.112 -8.930 -1.170 1.00 0.00 C ATOM 481 CG ASP A 32 15.584 -9.165 -1.144 1.00 0.00 C ATOM 482 OD1 ASP A 32 16.333 -8.215 -1.428 1.00 0.00 O ATOM 483 OD2 ASP A 32 16.026 -10.308 -0.889 1.00 0.00 O ATOM 0 H ASP A 32 13.692 -10.073 1.049 1.00 0.00 H new ATOM 0 HA ASP A 32 14.242 -7.387 0.279 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.604 -9.888 -1.277 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.865 -8.338 -2.051 1.00 0.00 H new ATOM 488 N ASP A 33 11.227 -8.591 -0.017 1.00 0.00 N ATOM 489 CA ASP A 33 9.808 -8.257 -0.120 1.00 0.00 C ATOM 490 C ASP A 33 9.511 -7.221 0.952 1.00 0.00 C ATOM 491 O ASP A 33 9.030 -6.112 0.680 1.00 0.00 O ATOM 492 CB ASP A 33 8.983 -9.545 0.133 1.00 0.00 C ATOM 493 CG ASP A 33 7.469 -9.385 0.062 1.00 0.00 C ATOM 494 OD1 ASP A 33 6.872 -8.770 0.967 1.00 0.00 O ATOM 495 OD2 ASP A 33 6.846 -9.957 -0.862 1.00 0.00 O ATOM 0 H ASP A 33 11.402 -9.569 0.213 1.00 0.00 H new ATOM 0 HA ASP A 33 9.553 -7.861 -1.103 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.285 -10.297 -0.596 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.243 -9.933 1.118 1.00 0.00 H new ATOM 500 N ASN A 34 9.940 -7.570 2.144 1.00 0.00 N ATOM 501 CA ASN A 34 9.765 -6.794 3.357 1.00 0.00 C ATOM 502 C ASN A 34 10.326 -5.378 3.246 1.00 0.00 C ATOM 503 O ASN A 34 9.656 -4.426 3.635 1.00 0.00 O ATOM 504 CB ASN A 34 10.415 -7.540 4.518 1.00 0.00 C ATOM 505 CG ASN A 34 10.326 -6.835 5.851 1.00 0.00 C ATOM 506 OD1 ASN A 34 11.179 -6.050 6.219 1.00 0.00 O ATOM 507 ND2 ASN A 34 9.350 -7.161 6.600 1.00 0.00 N ATOM 0 H ASN A 34 10.444 -8.442 2.304 1.00 0.00 H new ATOM 0 HA ASN A 34 8.695 -6.681 3.530 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.948 -8.520 4.609 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.465 -7.709 4.281 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.269 -6.761 7.535 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.649 -7.822 6.265 1.00 0.00 H new ATOM 514 N LYS A 35 11.537 -5.228 2.687 1.00 0.00 N ATOM 515 CA LYS A 35 12.160 -3.906 2.587 1.00 0.00 C ATOM 516 C LYS A 35 11.336 -2.943 1.737 1.00 0.00 C ATOM 517 O LYS A 35 11.393 -1.729 1.940 1.00 0.00 O ATOM 518 CB LYS A 35 13.633 -3.946 2.108 1.00 0.00 C ATOM 519 CG LYS A 35 13.863 -4.260 0.633 1.00 0.00 C ATOM 520 CD LYS A 35 15.346 -4.132 0.295 1.00 0.00 C ATOM 521 CE LYS A 35 15.628 -4.257 -1.202 1.00 0.00 C ATOM 522 NZ LYS A 35 15.305 -5.591 -1.752 1.00 0.00 N ATOM 0 H LYS A 35 12.093 -5.993 2.305 1.00 0.00 H new ATOM 0 HA LYS A 35 12.179 -3.526 3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.088 -2.980 2.326 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.164 -4.690 2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.517 -5.269 0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.280 -3.579 0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.712 -3.168 0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.903 -4.901 0.830 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.051 -3.502 -1.737 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.681 -4.042 -1.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.422 -5.578 -2.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.944 -6.300 -1.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.321 -5.834 -1.518 1.00 0.00 H new ATOM 536 N LEU A 36 10.559 -3.473 0.795 1.00 0.00 N ATOM 537 CA LEU A 36 9.693 -2.612 0.018 1.00 0.00 C ATOM 538 C LEU A 36 8.497 -2.257 0.851 1.00 0.00 C ATOM 539 O LEU A 36 8.170 -1.092 1.013 1.00 0.00 O ATOM 540 CB LEU A 36 9.255 -3.259 -1.305 1.00 0.00 C ATOM 541 CG LEU A 36 10.372 -3.580 -2.297 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.796 -4.210 -3.555 1.00 0.00 C ATOM 543 CD2 LEU A 36 11.154 -2.315 -2.642 1.00 0.00 C ATOM 0 H LEU A 36 10.515 -4.465 0.561 1.00 0.00 H new ATOM 0 HA LEU A 36 10.251 -1.714 -0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.723 -4.183 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.543 -2.594 -1.793 1.00 0.00 H new ATOM 0 HG LEU A 36 11.055 -4.293 -1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.603 -4.433 -4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.276 -5.132 -3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.095 -3.517 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.947 -2.559 -3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.482 -1.582 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.593 -1.900 -1.735 1.00 0.00 H new ATOM 555 N VAL A 37 7.907 -3.275 1.440 1.00 0.00 N ATOM 556 CA VAL A 37 6.718 -3.146 2.272 1.00 0.00 C ATOM 557 C VAL A 37 6.903 -2.082 3.366 1.00 0.00 C ATOM 558 O VAL A 37 6.045 -1.220 3.543 1.00 0.00 O ATOM 559 CB VAL A 37 6.353 -4.502 2.934 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.114 -4.356 3.765 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.128 -5.573 1.890 1.00 0.00 C ATOM 0 H VAL A 37 8.242 -4.235 1.356 1.00 0.00 H new ATOM 0 HA VAL A 37 5.906 -2.834 1.615 1.00 0.00 H new ATOM 0 HB VAL A 37 7.188 -4.798 3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.869 -5.314 4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.284 -3.613 4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.287 -4.035 3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.874 -6.512 2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.311 -5.275 1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.037 -5.705 1.303 1.00 0.00 H new ATOM 571 N ARG A 38 8.046 -2.117 4.039 1.00 0.00 N ATOM 572 CA ARG A 38 8.326 -1.208 5.152 1.00 0.00 C ATOM 573 C ARG A 38 8.246 0.263 4.761 1.00 0.00 C ATOM 574 O ARG A 38 7.734 1.081 5.539 1.00 0.00 O ATOM 575 CB ARG A 38 9.685 -1.473 5.781 1.00 0.00 C ATOM 576 CG ARG A 38 9.862 -2.866 6.321 1.00 0.00 C ATOM 577 CD ARG A 38 11.179 -3.002 7.053 1.00 0.00 C ATOM 578 NE ARG A 38 12.334 -2.562 6.243 1.00 0.00 N ATOM 579 CZ ARG A 38 13.420 -3.299 5.949 1.00 0.00 C ATOM 580 NH1 ARG A 38 13.428 -4.609 6.130 1.00 0.00 N ATOM 581 NH2 ARG A 38 14.465 -2.720 5.399 1.00 0.00 N ATOM 0 H ARG A 38 8.802 -2.770 3.834 1.00 0.00 H new ATOM 0 HA ARG A 38 7.541 -1.413 5.880 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.459 -1.285 5.037 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.842 -0.760 6.591 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.040 -3.105 6.996 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.821 -3.585 5.503 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.141 -2.416 7.971 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.321 -4.043 7.345 1.00 0.00 H new ATOM 0 HE ARG A 38 12.305 -1.612 5.873 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.601 -5.078 6.499 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.262 -5.150 5.901 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.447 -1.720 5.199 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.293 -3.271 5.173 1.00 0.00 H new ATOM 595 N GLU A 39 8.724 0.618 3.562 1.00 0.00 N ATOM 596 CA GLU A 39 8.707 2.022 3.176 1.00 0.00 C ATOM 597 C GLU A 39 7.271 2.462 2.960 1.00 0.00 C ATOM 598 O GLU A 39 6.845 3.528 3.422 1.00 0.00 O ATOM 599 CB GLU A 39 9.577 2.331 1.929 1.00 0.00 C ATOM 600 CG GLU A 39 9.065 1.817 0.595 1.00 0.00 C ATOM 601 CD GLU A 39 9.857 2.361 -0.559 1.00 0.00 C ATOM 602 OE1 GLU A 39 10.902 1.779 -0.908 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.458 3.402 -1.139 1.00 0.00 O ATOM 0 H GLU A 39 9.112 -0.024 2.870 1.00 0.00 H new ATOM 0 HA GLU A 39 9.155 2.591 3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.693 3.412 1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.570 1.914 2.096 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.110 0.728 0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.017 2.093 0.478 1.00 0.00 H new ATOM 610 N PHE A 40 6.508 1.580 2.355 1.00 0.00 N ATOM 611 CA PHE A 40 5.136 1.837 2.048 1.00 0.00 C ATOM 612 C PHE A 40 4.284 1.863 3.317 1.00 0.00 C ATOM 613 O PHE A 40 3.380 2.692 3.439 1.00 0.00 O ATOM 614 CB PHE A 40 4.627 0.838 1.019 1.00 0.00 C ATOM 615 CG PHE A 40 5.330 0.934 -0.328 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.227 2.076 -1.113 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.072 -0.129 -0.811 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.857 2.146 -2.352 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.703 -0.067 -2.040 1.00 0.00 C ATOM 620 CZ PHE A 40 6.598 1.067 -2.812 1.00 0.00 C ATOM 0 H PHE A 40 6.834 0.658 2.063 1.00 0.00 H new ATOM 0 HA PHE A 40 5.054 2.828 1.602 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.752 -0.171 1.413 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.558 0.993 0.873 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.652 2.918 -0.758 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.160 -1.026 -0.216 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.769 3.038 -2.954 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.279 -0.909 -2.394 1.00 0.00 H new ATOM 0 HZ PHE A 40 7.090 1.117 -3.772 1.00 0.00 H new ATOM 630 N GLU A 41 4.592 0.980 4.274 1.00 0.00 N ATOM 631 CA GLU A 41 3.954 0.981 5.593 1.00 0.00 C ATOM 632 C GLU A 41 4.149 2.300 6.308 1.00 0.00 C ATOM 633 O GLU A 41 3.283 2.741 7.034 1.00 0.00 O ATOM 634 CB GLU A 41 4.509 -0.122 6.487 1.00 0.00 C ATOM 635 CG GLU A 41 3.981 -1.504 6.212 1.00 0.00 C ATOM 636 CD GLU A 41 4.575 -2.530 7.137 1.00 0.00 C ATOM 637 OE1 GLU A 41 5.742 -2.906 6.964 1.00 0.00 O ATOM 638 OE2 GLU A 41 3.884 -2.963 8.101 1.00 0.00 O ATOM 0 H GLU A 41 5.290 0.246 4.155 1.00 0.00 H new ATOM 0 HA GLU A 41 2.893 0.812 5.411 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.594 -0.139 6.383 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.292 0.131 7.525 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.896 -1.505 6.318 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.200 -1.777 5.180 1.00 0.00 H new ATOM 645 N ARG A 42 5.276 2.931 6.092 1.00 0.00 N ATOM 646 CA ARG A 42 5.575 4.159 6.793 1.00 0.00 C ATOM 647 C ARG A 42 4.938 5.340 6.090 1.00 0.00 C ATOM 648 O ARG A 42 4.508 6.292 6.732 1.00 0.00 O ATOM 649 CB ARG A 42 7.072 4.335 6.910 1.00 0.00 C ATOM 650 CG ARG A 42 7.474 5.317 7.982 1.00 0.00 C ATOM 651 CD ARG A 42 8.971 5.356 8.186 1.00 0.00 C ATOM 652 NE ARG A 42 9.320 6.233 9.301 1.00 0.00 N ATOM 653 CZ ARG A 42 10.544 6.434 9.791 1.00 0.00 C ATOM 654 NH1 ARG A 42 11.603 5.828 9.255 1.00 0.00 N ATOM 655 NH2 ARG A 42 10.704 7.241 10.826 1.00 0.00 N ATOM 0 H ARG A 42 5.998 2.620 5.442 1.00 0.00 H new ATOM 0 HA ARG A 42 5.157 4.106 7.798 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.529 3.369 7.122 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.468 4.671 5.952 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.119 6.312 7.713 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.988 5.048 8.920 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.343 4.350 8.379 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.458 5.706 7.276 1.00 0.00 H new ATOM 0 HE ARG A 42 8.555 6.740 9.747 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.483 5.201 8.459 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.533 5.991 9.640 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.895 7.703 11.242 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.636 7.401 11.208 1.00 0.00 H new ATOM 669 N LEU A 43 4.888 5.266 4.779 1.00 0.00 N ATOM 670 CA LEU A 43 4.211 6.286 3.968 1.00 0.00 C ATOM 671 C LEU A 43 2.726 6.321 4.289 1.00 0.00 C ATOM 672 O LEU A 43 2.120 7.381 4.383 1.00 0.00 O ATOM 673 CB LEU A 43 4.404 6.006 2.478 1.00 0.00 C ATOM 674 CG LEU A 43 5.829 6.095 1.951 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.854 5.777 0.464 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.410 7.479 2.221 1.00 0.00 C ATOM 0 H LEU A 43 5.307 4.510 4.237 1.00 0.00 H new ATOM 0 HA LEU A 43 4.652 7.254 4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.023 5.007 2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.788 6.708 1.916 1.00 0.00 H new ATOM 0 HG LEU A 43 6.446 5.362 2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.878 5.843 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.474 4.768 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.229 6.491 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.429 7.527 1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.800 8.233 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.416 7.668 3.294 1.00 0.00 H new ATOM 688 N THR A 44 2.162 5.161 4.476 1.00 0.00 N ATOM 689 CA THR A 44 0.766 5.034 4.783 1.00 0.00 C ATOM 690 C THR A 44 0.503 5.215 6.246 1.00 0.00 C ATOM 691 O THR A 44 -0.606 5.615 6.641 1.00 0.00 O ATOM 692 CB THR A 44 0.270 3.658 4.380 1.00 0.00 C ATOM 693 OG1 THR A 44 1.143 2.656 4.906 1.00 0.00 O ATOM 694 CG2 THR A 44 0.227 3.537 2.908 1.00 0.00 C ATOM 0 H THR A 44 2.660 4.273 4.419 1.00 0.00 H new ATOM 0 HA THR A 44 0.242 5.812 4.228 1.00 0.00 H new ATOM 0 HB THR A 44 -0.734 3.521 4.781 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.811 2.416 4.230 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.131 2.544 2.635 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.447 4.291 2.501 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.227 3.687 2.501 1.00 0.00 H new ATOM 702 N GLU A 45 1.535 4.902 7.052 1.00 0.00 N ATOM 703 CA GLU A 45 1.460 4.867 8.507 1.00 0.00 C ATOM 704 C GLU A 45 0.497 3.748 8.879 1.00 0.00 C ATOM 705 O GLU A 45 -0.054 3.693 9.983 1.00 0.00 O ATOM 706 CB GLU A 45 1.001 6.217 9.055 1.00 0.00 C ATOM 707 CG GLU A 45 1.870 7.363 8.595 1.00 0.00 C ATOM 708 CD GLU A 45 1.381 8.705 9.051 1.00 0.00 C ATOM 709 OE1 GLU A 45 1.569 9.049 10.239 1.00 0.00 O ATOM 710 OE2 GLU A 45 0.825 9.453 8.230 1.00 0.00 O ATOM 0 H GLU A 45 2.459 4.663 6.693 1.00 0.00 H new ATOM 0 HA GLU A 45 2.439 4.675 8.946 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.027 6.399 8.743 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.002 6.181 10.144 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.884 7.210 8.964 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.922 7.355 7.506 1.00 0.00 H new ATOM 717 N HIS A 46 0.371 2.804 7.952 1.00 0.00 N ATOM 718 CA HIS A 46 -0.573 1.750 8.061 1.00 0.00 C ATOM 719 C HIS A 46 0.044 0.575 8.828 1.00 0.00 C ATOM 720 O HIS A 46 1.108 0.077 8.470 1.00 0.00 O ATOM 721 CB HIS A 46 -1.079 1.312 6.659 1.00 0.00 C ATOM 722 CG HIS A 46 -2.298 0.445 6.704 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.365 -0.718 7.407 1.00 0.00 N ATOM 724 CD2 HIS A 46 -3.547 0.680 6.262 1.00 0.00 C ATOM 725 CE1 HIS A 46 -3.618 -1.133 7.414 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.383 -0.329 6.719 1.00 0.00 N ATOM 0 H HIS A 46 0.937 2.768 7.104 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.438 2.107 8.620 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.298 2.201 6.067 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.281 0.776 6.146 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.850 1.518 5.651 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.966 -2.018 7.925 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.384 -0.424 6.549 1.00 0.00 H new ATOM 734 N PRO A 47 -0.652 0.117 9.870 1.00 0.00 N ATOM 735 CA PRO A 47 -0.207 -0.956 10.760 1.00 0.00 C ATOM 736 C PRO A 47 -0.018 -2.265 10.051 1.00 0.00 C ATOM 737 O PRO A 47 1.049 -2.855 10.045 1.00 0.00 O ATOM 738 CB PRO A 47 -1.379 -1.097 11.731 1.00 0.00 C ATOM 739 CG PRO A 47 -2.519 -0.405 11.133 1.00 0.00 C ATOM 740 CD PRO A 47 -1.950 0.638 10.274 1.00 0.00 C ATOM 0 HA PRO A 47 0.756 -0.720 11.214 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.613 -2.148 11.902 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.131 -0.664 12.700 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.135 -1.094 10.555 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.160 0.028 11.901 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.586 0.830 9.410 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.848 1.581 10.811 1.00 0.00 H new ATOM 748 N ASP A 48 -1.051 -2.685 9.415 1.00 0.00 N ATOM 749 CA ASP A 48 -1.092 -3.934 8.768 1.00 0.00 C ATOM 750 C ASP A 48 -0.641 -3.795 7.364 1.00 0.00 C ATOM 751 O ASP A 48 -0.923 -4.637 6.576 1.00 0.00 O ATOM 752 CB ASP A 48 -2.507 -4.505 8.787 1.00 0.00 C ATOM 753 CG ASP A 48 -2.977 -4.886 10.155 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.205 -3.995 10.990 1.00 0.00 O ATOM 755 OD2 ASP A 48 -3.124 -6.085 10.430 1.00 0.00 O ATOM 0 H ASP A 48 -1.914 -2.148 9.331 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.427 -4.614 9.301 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.193 -3.769 8.367 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.545 -5.382 8.141 1.00 0.00 H new ATOM 760 N GLY A 49 0.112 -2.726 7.061 1.00 0.00 N ATOM 761 CA GLY A 49 0.602 -2.501 5.673 1.00 0.00 C ATOM 762 C GLY A 49 1.376 -3.658 5.148 1.00 0.00 C ATOM 763 O GLY A 49 1.456 -3.870 3.952 1.00 0.00 O ATOM 0 H GLY A 49 0.395 -2.013 7.734 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.248 -2.309 5.018 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.229 -1.609 5.652 1.00 0.00 H new ATOM 767 N SER A 50 1.909 -4.409 6.041 1.00 0.00 N ATOM 768 CA SER A 50 2.566 -5.619 5.702 1.00 0.00 C ATOM 769 C SER A 50 1.541 -6.738 5.558 1.00 0.00 C ATOM 770 O SER A 50 1.357 -7.278 4.459 1.00 0.00 O ATOM 771 CB SER A 50 3.629 -5.911 6.740 1.00 0.00 C ATOM 772 OG SER A 50 3.159 -5.522 8.032 1.00 0.00 O ATOM 0 H SER A 50 1.902 -4.199 7.039 1.00 0.00 H new ATOM 0 HA SER A 50 3.069 -5.534 4.739 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.873 -6.973 6.736 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.545 -5.372 6.498 1.00 0.00 H new ATOM 0 HG SER A 50 3.453 -4.607 8.225 1.00 0.00 H new ATOM 778 N ASP A 51 0.833 -7.025 6.657 1.00 0.00 N ATOM 779 CA ASP A 51 -0.208 -8.058 6.722 1.00 0.00 C ATOM 780 C ASP A 51 -1.192 -7.977 5.567 1.00 0.00 C ATOM 781 O ASP A 51 -1.566 -8.983 5.054 1.00 0.00 O ATOM 782 CB ASP A 51 -0.976 -8.023 8.062 1.00 0.00 C ATOM 783 CG ASP A 51 -0.184 -8.541 9.250 1.00 0.00 C ATOM 784 OD1 ASP A 51 -0.244 -9.759 9.534 1.00 0.00 O ATOM 785 OD2 ASP A 51 0.495 -7.740 9.944 1.00 0.00 O ATOM 0 H ASP A 51 0.970 -6.537 7.542 1.00 0.00 H new ATOM 0 HA ASP A 51 0.322 -9.007 6.645 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.283 -6.997 8.265 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.886 -8.614 7.961 1.00 0.00 H new ATOM 790 N LEU A 52 -1.548 -6.765 5.135 1.00 0.00 N ATOM 791 CA LEU A 52 -2.499 -6.541 4.021 1.00 0.00 C ATOM 792 C LEU A 52 -2.084 -7.267 2.762 1.00 0.00 C ATOM 793 O LEU A 52 -2.917 -7.809 2.048 1.00 0.00 O ATOM 794 CB LEU A 52 -2.591 -5.056 3.638 1.00 0.00 C ATOM 795 CG LEU A 52 -3.063 -4.060 4.678 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.096 -2.683 4.054 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.426 -4.444 5.240 1.00 0.00 C ATOM 0 H LEU A 52 -1.189 -5.902 5.543 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.454 -6.915 4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.603 -4.740 3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.258 -4.978 2.780 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.368 -4.062 5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.434 -1.957 4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.096 -2.414 3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.781 -2.684 3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.734 -3.708 5.983 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.158 -4.472 4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.363 -5.427 5.707 1.00 0.00 H new ATOM 809 N ILE A 53 -0.788 -7.291 2.504 1.00 0.00 N ATOM 810 CA ILE A 53 -0.287 -7.828 1.247 1.00 0.00 C ATOM 811 C ILE A 53 -0.264 -9.330 1.305 1.00 0.00 C ATOM 812 O ILE A 53 -0.403 -10.027 0.297 1.00 0.00 O ATOM 813 CB ILE A 53 1.133 -7.295 0.949 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.138 -5.774 1.051 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.592 -7.728 -0.454 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.516 -5.178 1.040 1.00 0.00 C ATOM 0 H ILE A 53 -0.068 -6.949 3.140 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.953 -7.506 0.446 1.00 0.00 H new ATOM 0 HB ILE A 53 1.825 -7.712 1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.565 -5.360 0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.630 -5.478 1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.594 -7.343 -0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.605 -8.816 -0.513 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.903 -7.332 -1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.444 -4.093 1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.086 -5.563 1.885 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.020 -5.444 0.111 1.00 0.00 H new ATOM 828 N TYR A 54 -0.132 -9.817 2.490 1.00 0.00 N ATOM 829 CA TYR A 54 -0.005 -11.215 2.705 1.00 0.00 C ATOM 830 C TYR A 54 -1.364 -11.840 2.974 1.00 0.00 C ATOM 831 O TYR A 54 -1.665 -12.932 2.485 1.00 0.00 O ATOM 832 CB TYR A 54 0.949 -11.462 3.872 1.00 0.00 C ATOM 833 CG TYR A 54 2.280 -10.753 3.738 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.070 -10.905 2.607 1.00 0.00 C ATOM 835 CD2 TYR A 54 2.732 -9.915 4.737 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.267 -10.233 2.482 1.00 0.00 C ATOM 837 CE2 TYR A 54 3.929 -9.245 4.621 1.00 0.00 C ATOM 838 CZ TYR A 54 4.690 -9.403 3.495 1.00 0.00 C ATOM 839 OH TYR A 54 5.880 -8.706 3.371 1.00 0.00 O ATOM 0 H TYR A 54 -0.109 -9.254 3.340 1.00 0.00 H new ATOM 0 HA TYR A 54 0.403 -11.682 1.809 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.468 -11.140 4.796 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.127 -12.534 3.962 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.742 -11.560 1.813 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.135 -9.782 5.627 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.869 -10.357 1.594 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.266 -8.597 5.416 1.00 0.00 H new ATOM 0 HH TYR A 54 6.421 -9.106 2.658 1.00 0.00 H new ATOM 849 N TYR A 55 -2.177 -11.143 3.745 1.00 0.00 N ATOM 850 CA TYR A 55 -3.478 -11.618 4.158 1.00 0.00 C ATOM 851 C TYR A 55 -4.476 -10.455 4.230 1.00 0.00 C ATOM 852 O TYR A 55 -4.502 -9.721 5.231 1.00 0.00 O ATOM 853 CB TYR A 55 -3.410 -12.238 5.569 1.00 0.00 C ATOM 854 CG TYR A 55 -2.352 -13.287 5.761 1.00 0.00 C ATOM 855 CD1 TYR A 55 -2.574 -14.596 5.379 1.00 0.00 C ATOM 856 CD2 TYR A 55 -1.121 -12.959 6.325 1.00 0.00 C ATOM 857 CE1 TYR A 55 -1.610 -15.556 5.549 1.00 0.00 C ATOM 858 CE2 TYR A 55 -0.150 -13.918 6.497 1.00 0.00 C ATOM 859 CZ TYR A 55 -0.400 -15.216 6.105 1.00 0.00 C ATOM 860 OH TYR A 55 0.570 -16.180 6.268 1.00 0.00 O ATOM 0 H TYR A 55 -1.946 -10.217 4.106 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.796 -12.360 3.426 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.241 -11.439 6.291 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.380 -12.677 5.802 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.522 -14.867 4.939 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.927 -11.941 6.630 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.801 -16.575 5.247 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.801 -13.656 6.936 1.00 0.00 H new ATOM 0 HH TYR A 55 1.366 -15.778 6.673 1.00 0.00 H new ATOM 870 N PRO A 56 -5.244 -10.210 3.167 1.00 0.00 N ATOM 871 CA PRO A 56 -6.365 -9.267 3.214 1.00 0.00 C ATOM 872 C PRO A 56 -7.385 -9.739 4.266 1.00 0.00 C ATOM 873 O PRO A 56 -7.376 -10.911 4.651 1.00 0.00 O ATOM 874 CB PRO A 56 -6.962 -9.352 1.807 1.00 0.00 C ATOM 875 CG PRO A 56 -5.835 -9.823 0.965 1.00 0.00 C ATOM 876 CD PRO A 56 -5.048 -10.762 1.829 1.00 0.00 C ATOM 0 HA PRO A 56 -6.075 -8.252 3.484 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.803 -10.045 1.772 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.333 -8.383 1.472 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.199 -10.327 0.070 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.219 -8.988 0.632 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.417 -11.785 1.755 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.995 -10.782 1.550 1.00 0.00 H new ATOM 884 N ARG A 57 -8.255 -8.850 4.717 1.00 0.00 N ATOM 885 CA ARG A 57 -9.169 -9.174 5.810 1.00 0.00 C ATOM 886 C ARG A 57 -10.242 -10.234 5.508 1.00 0.00 C ATOM 887 O ARG A 57 -9.935 -11.404 5.289 1.00 0.00 O ATOM 888 CB ARG A 57 -9.774 -7.934 6.442 1.00 0.00 C ATOM 889 CG ARG A 57 -8.781 -7.073 7.199 1.00 0.00 C ATOM 890 CD ARG A 57 -9.472 -5.871 7.789 1.00 0.00 C ATOM 891 NE ARG A 57 -9.981 -5.001 6.748 1.00 0.00 N ATOM 892 CZ ARG A 57 -11.193 -4.456 6.694 1.00 0.00 C ATOM 893 NH1 ARG A 57 -12.095 -4.683 7.649 1.00 0.00 N ATOM 894 NH2 ARG A 57 -11.491 -3.682 5.680 1.00 0.00 N ATOM 0 H ARG A 57 -8.351 -7.904 4.349 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.519 -9.657 6.539 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.238 -7.332 5.661 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.568 -8.238 7.124 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.313 -7.657 7.992 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.985 -6.750 6.529 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.292 -6.196 8.429 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.775 -5.320 8.420 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.346 -4.785 5.980 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.861 -5.284 8.439 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.019 -4.256 7.589 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.799 -3.507 4.951 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.415 -3.254 5.619 1.00 0.00 H new ATOM 908 N ASP A 58 -11.476 -9.837 5.512 1.00 0.00 N ATOM 909 CA ASP A 58 -12.560 -10.798 5.360 1.00 0.00 C ATOM 910 C ASP A 58 -13.402 -10.503 4.156 1.00 0.00 C ATOM 911 O ASP A 58 -13.479 -11.283 3.225 1.00 0.00 O ATOM 912 CB ASP A 58 -13.437 -10.811 6.606 1.00 0.00 C ATOM 913 CG ASP A 58 -14.502 -11.878 6.545 1.00 0.00 C ATOM 914 OD1 ASP A 58 -14.215 -13.030 6.924 1.00 0.00 O ATOM 915 OD2 ASP A 58 -15.642 -11.587 6.130 1.00 0.00 O ATOM 0 H ASP A 58 -11.772 -8.866 5.617 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.105 -11.779 5.223 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.813 -10.973 7.485 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.909 -9.836 6.726 1.00 0.00 H new ATOM 920 N ASP A 59 -14.001 -9.347 4.182 1.00 0.00 N ATOM 921 CA ASP A 59 -14.923 -8.899 3.141 1.00 0.00 C ATOM 922 C ASP A 59 -14.126 -8.248 2.030 1.00 0.00 C ATOM 923 O ASP A 59 -14.592 -8.078 0.907 1.00 0.00 O ATOM 924 CB ASP A 59 -15.892 -7.878 3.760 1.00 0.00 C ATOM 925 CG ASP A 59 -16.988 -7.394 2.830 1.00 0.00 C ATOM 926 OD1 ASP A 59 -16.749 -6.467 2.030 1.00 0.00 O ATOM 927 OD2 ASP A 59 -18.131 -7.901 2.923 1.00 0.00 O ATOM 0 H ASP A 59 -13.870 -8.668 4.932 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.486 -9.739 2.734 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.354 -8.324 4.641 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.319 -7.016 4.103 1.00 0.00 H new ATOM 932 N ARG A 60 -12.908 -7.921 2.360 1.00 0.00 N ATOM 933 CA ARG A 60 -12.024 -7.243 1.507 1.00 0.00 C ATOM 934 C ARG A 60 -11.500 -8.128 0.392 1.00 0.00 C ATOM 935 O ARG A 60 -11.094 -9.270 0.598 1.00 0.00 O ATOM 936 CB ARG A 60 -10.895 -6.692 2.336 1.00 0.00 C ATOM 937 CG ARG A 60 -9.822 -5.986 1.575 1.00 0.00 C ATOM 938 CD ARG A 60 -10.346 -4.754 0.820 1.00 0.00 C ATOM 939 NE ARG A 60 -10.888 -3.728 1.719 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.908 -2.912 1.430 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.476 -2.948 0.225 1.00 0.00 N ATOM 942 NH2 ARG A 60 -12.334 -2.033 2.333 1.00 0.00 N ATOM 0 H ARG A 60 -12.505 -8.137 3.272 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.563 -6.432 1.017 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.310 -6.001 3.070 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -10.442 -7.513 2.892 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.036 -5.678 2.264 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.370 -6.678 0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.537 -4.324 0.229 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.122 -5.064 0.120 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.453 -3.629 2.636 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.133 -3.599 -0.481 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.253 -2.324 0.009 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.883 -1.981 3.246 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.112 -1.411 2.112 1.00 0.00 H new ATOM 956 N GLU A 61 -11.536 -7.549 -0.757 1.00 0.00 N ATOM 957 CA GLU A 61 -11.059 -8.093 -2.006 1.00 0.00 C ATOM 958 C GLU A 61 -9.564 -8.440 -1.940 1.00 0.00 C ATOM 959 O GLU A 61 -8.715 -7.569 -1.671 1.00 0.00 O ATOM 960 CB GLU A 61 -11.304 -7.027 -3.058 1.00 0.00 C ATOM 961 CG GLU A 61 -10.702 -7.267 -4.420 1.00 0.00 C ATOM 962 CD GLU A 61 -10.947 -6.108 -5.359 1.00 0.00 C ATOM 963 OE1 GLU A 61 -11.337 -5.000 -4.891 1.00 0.00 O ATOM 964 OE2 GLU A 61 -10.735 -6.275 -6.581 1.00 0.00 O ATOM 0 H GLU A 61 -11.926 -6.613 -0.870 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.582 -9.020 -2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.381 -6.909 -3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.920 -6.080 -2.679 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.629 -7.431 -4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.124 -8.176 -4.848 1.00 0.00 H new ATOM 971 N ASP A 62 -9.258 -9.693 -2.182 1.00 0.00 N ATOM 972 CA ASP A 62 -7.882 -10.168 -2.224 1.00 0.00 C ATOM 973 C ASP A 62 -7.326 -9.938 -3.625 1.00 0.00 C ATOM 974 O ASP A 62 -7.389 -10.815 -4.487 1.00 0.00 O ATOM 975 CB ASP A 62 -7.815 -11.679 -1.864 1.00 0.00 C ATOM 976 CG ASP A 62 -6.403 -12.280 -1.778 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.729 -12.480 -2.824 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.960 -12.620 -0.660 1.00 0.00 O ATOM 0 H ASP A 62 -9.953 -10.419 -2.357 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.287 -9.619 -1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.313 -11.828 -0.906 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.383 -12.237 -2.608 1.00 0.00 H new ATOM 983 N SER A 63 -6.941 -8.725 -3.901 1.00 0.00 N ATOM 984 CA SER A 63 -6.319 -8.418 -5.153 1.00 0.00 C ATOM 985 C SER A 63 -5.348 -7.278 -4.906 1.00 0.00 C ATOM 986 O SER A 63 -5.460 -6.615 -3.862 1.00 0.00 O ATOM 987 CB SER A 63 -7.399 -7.997 -6.168 1.00 0.00 C ATOM 988 OG SER A 63 -7.976 -6.746 -5.821 1.00 0.00 O ATOM 0 H SER A 63 -7.048 -7.930 -3.271 1.00 0.00 H new ATOM 0 HA SER A 63 -5.790 -9.282 -5.557 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.960 -7.933 -7.164 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.177 -8.759 -6.211 1.00 0.00 H new ATOM 0 HG SER A 63 -8.536 -6.428 -6.559 1.00 0.00 H new ATOM 994 N PRO A 64 -4.388 -7.000 -5.828 1.00 0.00 N ATOM 995 CA PRO A 64 -3.504 -5.833 -5.706 1.00 0.00 C ATOM 996 C PRO A 64 -4.333 -4.533 -5.646 1.00 0.00 C ATOM 997 O PRO A 64 -3.896 -3.532 -5.117 1.00 0.00 O ATOM 998 CB PRO A 64 -2.648 -5.898 -6.998 1.00 0.00 C ATOM 999 CG PRO A 64 -2.668 -7.329 -7.372 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.040 -7.825 -7.011 1.00 0.00 C ATOM 0 HA PRO A 64 -2.898 -5.839 -4.800 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.068 -5.274 -7.787 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.632 -5.546 -6.821 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.473 -7.458 -8.437 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.898 -7.884 -6.837 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.749 -7.682 -7.826 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.036 -8.889 -6.775 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.548 -4.595 -6.165 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.454 -3.472 -6.131 1.00 0.00 C ATOM 1010 C GLU A 65 -7.096 -3.364 -4.742 1.00 0.00 C ATOM 1011 O GLU A 65 -7.080 -2.301 -4.119 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.550 -3.615 -7.195 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.043 -3.809 -8.618 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.169 -3.841 -9.622 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.835 -4.897 -9.761 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.417 -2.815 -10.287 1.00 0.00 O ATOM 0 H GLU A 65 -5.928 -5.425 -6.619 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.884 -2.568 -6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.183 -4.463 -6.932 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.180 -2.726 -7.168 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.355 -3.002 -8.871 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.478 -4.739 -8.678 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.624 -4.479 -4.255 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.308 -4.505 -2.975 1.00 0.00 C ATOM 1025 C GLY A 66 -7.393 -4.249 -1.796 1.00 0.00 C ATOM 1026 O GLY A 66 -7.821 -3.699 -0.785 1.00 0.00 O ATOM 0 H GLY A 66 -7.590 -5.380 -4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.100 -3.756 -2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.788 -5.475 -2.848 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.141 -4.637 -1.915 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.158 -4.346 -0.876 1.00 0.00 C ATOM 1032 C ILE A 67 -4.989 -2.842 -0.738 1.00 0.00 C ATOM 1033 O ILE A 67 -4.979 -2.314 0.350 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.795 -5.019 -1.171 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.937 -6.540 -1.090 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.704 -4.526 -0.209 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.684 -7.275 -1.471 1.00 0.00 C ATOM 0 H ILE A 67 -5.774 -5.153 -2.715 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.526 -4.758 0.064 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.490 -4.742 -2.180 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.218 -6.818 -0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.749 -6.857 -1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.761 -5.019 -0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.586 -3.448 -0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.990 -4.761 0.816 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.854 -8.349 -1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.413 -7.025 -2.497 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.874 -6.985 -0.801 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.935 -2.168 -1.852 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.796 -0.721 -1.883 1.00 0.00 C ATOM 1051 C VAL A 68 -6.056 -0.058 -1.354 1.00 0.00 C ATOM 1052 O VAL A 68 -6.012 1.027 -0.753 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.455 -0.269 -3.308 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.423 1.252 -3.438 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.122 -0.851 -3.651 1.00 0.00 C ATOM 0 H VAL A 68 -4.986 -2.600 -2.775 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.978 -0.414 -1.231 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.226 -0.617 -3.995 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.177 1.524 -4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.400 1.660 -3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.669 1.659 -2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.843 -0.551 -4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.374 -0.489 -2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.175 -1.938 -3.597 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.163 -0.744 -1.512 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.409 -0.278 -1.001 1.00 0.00 C ATOM 1067 C LYS A 69 -8.371 -0.305 0.513 1.00 0.00 C ATOM 1068 O LYS A 69 -8.969 0.535 1.154 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.525 -1.142 -1.471 1.00 0.00 C ATOM 1070 CG LYS A 69 -10.856 -0.446 -1.419 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.207 0.185 -2.756 1.00 0.00 C ATOM 1072 CE LYS A 69 -10.354 1.414 -3.103 1.00 0.00 C ATOM 1073 NZ LYS A 69 -10.627 1.901 -4.480 1.00 0.00 N ATOM 0 H LYS A 69 -7.215 -1.639 -1.999 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.573 0.739 -1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.326 -1.462 -2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.566 -2.042 -0.858 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.630 -1.160 -1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.836 0.323 -0.647 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.089 -0.561 -3.542 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.258 0.474 -2.746 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.557 2.211 -2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.298 1.162 -3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.986 2.689 -4.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.475 1.128 -5.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.612 2.228 -4.544 1.00 0.00 H new ATOM 1087 N GLU A 70 -7.651 -1.276 1.070 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.444 -1.355 2.505 1.00 0.00 C ATOM 1089 C GLU A 70 -6.795 -0.097 3.007 1.00 0.00 C ATOM 1090 O GLU A 70 -7.315 0.529 3.922 1.00 0.00 O ATOM 1091 CB GLU A 70 -6.609 -2.568 2.886 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.366 -3.866 2.859 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.359 -3.954 3.992 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.449 -3.328 3.921 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -8.073 -4.618 4.982 1.00 0.00 O ATOM 0 H GLU A 70 -7.200 -2.022 0.540 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.421 -1.465 2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.761 -2.640 2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.203 -2.417 3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.889 -3.963 1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.665 -4.698 2.924 1.00 0.00 H new ATOM 1102 N ILE A 71 -5.677 0.292 2.385 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.002 1.525 2.743 1.00 0.00 C ATOM 1104 C ILE A 71 -5.955 2.714 2.563 1.00 0.00 C ATOM 1105 O ILE A 71 -6.065 3.579 3.440 1.00 0.00 O ATOM 1106 CB ILE A 71 -3.708 1.782 1.896 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -2.616 0.729 2.131 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.141 3.150 2.180 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.777 -0.561 1.397 1.00 0.00 C ATOM 0 H ILE A 71 -5.228 -0.233 1.635 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.701 1.423 3.786 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.018 1.714 0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.655 1.163 1.854 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.572 0.513 3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.244 3.304 1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.881 3.910 1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.888 3.227 3.237 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.948 -1.225 1.641 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.716 -1.031 1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.785 -0.370 0.324 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.638 2.723 1.435 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.571 3.772 1.080 1.00 0.00 C ATOM 1123 C LYS A 72 -8.673 3.972 2.119 1.00 0.00 C ATOM 1124 O LYS A 72 -8.788 5.055 2.697 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.128 3.547 -0.352 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.312 4.429 -0.733 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.418 4.694 -2.224 1.00 0.00 C ATOM 1128 CE LYS A 72 -8.274 5.550 -2.723 1.00 0.00 C ATOM 1129 NZ LYS A 72 -8.499 6.026 -4.107 1.00 0.00 N ATOM 0 H LYS A 72 -6.558 1.991 0.730 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.017 4.711 1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.324 3.716 -1.068 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.427 2.503 -0.449 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.232 3.955 -0.390 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.229 5.381 -0.208 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.425 3.746 -2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.364 5.190 -2.439 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.147 6.407 -2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.348 4.976 -2.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.717 6.649 -4.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.544 5.211 -4.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.395 6.552 -4.152 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.418 2.932 2.391 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.549 3.015 3.294 1.00 0.00 C ATOM 1145 C GLU A 73 -10.102 3.252 4.730 1.00 0.00 C ATOM 1146 O GLU A 73 -10.730 4.010 5.457 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.403 1.754 3.170 1.00 0.00 C ATOM 1148 CG GLU A 73 -11.903 1.509 1.745 1.00 0.00 C ATOM 1149 CD GLU A 73 -12.866 2.563 1.254 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -12.449 3.697 0.988 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -14.074 2.253 1.081 1.00 0.00 O ATOM 0 H GLU A 73 -9.263 2.004 1.997 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.158 3.874 3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.820 0.893 3.498 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.258 1.834 3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.048 1.468 1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.390 0.535 1.702 1.00 0.00 H new ATOM 1158 N TRP A 74 -8.984 2.651 5.109 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.466 2.780 6.463 1.00 0.00 C ATOM 1160 C TRP A 74 -8.024 4.212 6.723 1.00 0.00 C ATOM 1161 O TRP A 74 -8.441 4.833 7.702 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.297 1.819 6.672 1.00 0.00 C ATOM 1163 CG TRP A 74 -6.784 1.707 8.081 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.266 0.891 9.060 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -5.668 2.404 8.652 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -6.516 1.029 10.200 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -5.532 1.951 9.977 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -4.773 3.363 8.167 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -4.534 2.422 10.821 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -3.783 3.836 9.001 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -3.665 3.363 10.313 1.00 0.00 C ATOM 0 H TRP A 74 -8.416 2.067 4.495 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.258 2.527 7.168 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -7.602 0.828 6.337 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.474 2.133 6.030 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.115 0.232 8.954 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.668 0.525 11.074 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.856 3.728 7.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.443 2.064 11.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.090 4.581 8.638 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -2.874 3.745 10.942 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.229 4.773 5.820 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.714 6.107 6.038 1.00 0.00 C ATOM 1184 C ARG A 75 -7.803 7.149 5.929 1.00 0.00 C ATOM 1185 O ARG A 75 -7.780 8.146 6.651 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.549 6.444 5.127 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.354 5.532 5.312 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.139 6.075 4.610 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.404 6.422 3.214 1.00 0.00 N ATOM 1190 CZ ARG A 75 -2.783 7.401 2.553 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -1.873 8.146 3.164 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.099 7.653 1.294 1.00 0.00 N ATOM 0 H ARG A 75 -6.935 4.331 4.949 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.331 6.120 7.059 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.881 6.389 4.090 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.242 7.474 5.309 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.142 5.418 6.375 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.587 4.540 4.925 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.783 6.959 5.139 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.339 5.335 4.651 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.109 5.881 2.713 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.645 7.972 4.143 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.401 8.893 2.655 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.818 7.099 0.828 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.624 8.401 0.789 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.777 6.898 5.076 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.894 7.810 4.908 1.00 0.00 C ATOM 1208 C ALA A 76 -10.783 7.802 6.144 1.00 0.00 C ATOM 1209 O ALA A 76 -11.402 8.810 6.478 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.705 7.452 3.671 1.00 0.00 C ATOM 0 H ALA A 76 -8.818 6.067 4.486 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.492 8.815 4.775 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.536 8.149 3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.068 7.512 2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.092 6.438 3.771 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.789 6.682 6.848 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.619 6.509 8.021 1.00 0.00 C ATOM 1218 C ALA A 77 -10.922 7.105 9.194 1.00 0.00 C ATOM 1219 O ALA A 77 -11.529 7.673 10.089 1.00 0.00 O ATOM 1220 CB ALA A 77 -11.885 5.048 8.261 1.00 0.00 C ATOM 0 H ALA A 77 -10.217 5.869 6.619 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.576 7.009 7.870 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.510 4.933 9.146 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.397 4.625 7.397 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.940 4.526 8.414 1.00 0.00 H new ATOM 1226 N ASN A 78 -9.620 6.974 9.170 1.00 0.00 N ATOM 1227 CA ASN A 78 -8.776 7.508 10.189 1.00 0.00 C ATOM 1228 C ASN A 78 -8.698 9.015 10.109 1.00 0.00 C ATOM 1229 O ASN A 78 -8.413 9.679 11.102 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.366 6.933 10.101 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.173 5.526 10.656 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.098 5.220 11.124 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.168 4.682 10.611 1.00 0.00 N ATOM 0 H ASN A 78 -9.117 6.486 8.429 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.221 7.224 11.143 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.062 6.932 9.054 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.689 7.605 10.629 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.052 3.737 10.976 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.062 4.968 10.211 1.00 0.00 H new ATOM 1240 N GLY A 79 -8.944 9.549 8.932 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.829 10.973 8.732 1.00 0.00 C ATOM 1242 C GLY A 79 -7.402 11.338 8.417 1.00 0.00 C ATOM 1243 O GLY A 79 -6.950 12.451 8.674 1.00 0.00 O ATOM 0 H GLY A 79 -9.223 9.021 8.105 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.481 11.287 7.917 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.159 11.501 9.626 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.700 10.395 7.848 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.320 10.542 7.507 1.00 0.00 C ATOM 1249 C LYS A 80 -5.159 11.089 6.107 1.00 0.00 C ATOM 1250 O LYS A 80 -6.117 11.593 5.507 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.633 9.200 7.626 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.353 8.790 9.046 1.00 0.00 C ATOM 1253 CD LYS A 80 -3.745 7.421 9.096 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.187 7.113 10.472 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.201 7.107 11.550 1.00 0.00 N ATOM 0 H LYS A 80 -7.086 9.483 7.605 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.862 11.252 8.195 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.255 8.440 7.153 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.694 9.232 7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.678 9.509 9.510 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.278 8.803 9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.497 6.677 8.832 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.950 7.347 8.354 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.697 6.140 10.444 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.420 7.849 10.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.751 6.839 12.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.617 8.056 11.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.948 6.422 11.320 1.00 0.00 H new ATOM 1269 N SER A 81 -3.956 11.013 5.611 1.00 0.00 N ATOM 1270 CA SER A 81 -3.608 11.456 4.294 1.00 0.00 C ATOM 1271 C SER A 81 -4.355 10.634 3.218 1.00 0.00 C ATOM 1272 O SER A 81 -4.907 9.548 3.498 1.00 0.00 O ATOM 1273 CB SER A 81 -2.092 11.310 4.138 1.00 0.00 C ATOM 1274 OG SER A 81 -1.614 11.855 2.921 1.00 0.00 O ATOM 0 H SER A 81 -3.167 10.628 6.130 1.00 0.00 H new ATOM 0 HA SER A 81 -3.902 12.497 4.159 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.595 11.804 4.973 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.825 10.254 4.188 1.00 0.00 H new ATOM 0 HG SER A 81 -0.642 11.739 2.870 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.382 11.158 2.020 1.00 0.00 N ATOM 1281 CA GLY A 82 -5.018 10.490 0.916 1.00 0.00 C ATOM 1282 C GLY A 82 -4.020 10.249 -0.182 1.00 0.00 C ATOM 1283 O GLY A 82 -2.813 10.361 0.051 1.00 0.00 O ATOM 0 H GLY A 82 -3.964 12.058 1.783 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.441 9.542 1.249 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.844 11.094 0.542 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.479 9.860 -1.334 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.629 9.719 -2.467 1.00 0.00 C ATOM 1289 C PHE A 83 -3.802 10.946 -3.333 1.00 0.00 C ATOM 1290 O PHE A 83 -4.483 11.900 -2.933 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.996 8.455 -3.266 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.848 7.175 -2.504 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.599 6.731 -2.130 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.953 6.402 -2.179 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.449 5.553 -1.442 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.804 5.217 -1.490 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.548 4.791 -1.122 1.00 0.00 C ATOM 0 H PHE A 83 -5.457 9.632 -1.510 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.592 9.621 -2.144 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.027 8.543 -3.607 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.369 8.408 -4.156 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.727 7.317 -2.381 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.940 6.732 -2.469 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.463 5.223 -1.150 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.671 4.624 -1.240 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.426 3.862 -0.584 1.00 0.00 H new ATOM 1307 N LYS A 84 -3.159 10.966 -4.455 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.381 11.995 -5.420 1.00 0.00 C ATOM 1309 C LYS A 84 -4.591 11.575 -6.230 1.00 0.00 C ATOM 1310 O LYS A 84 -4.774 10.384 -6.508 1.00 0.00 O ATOM 1311 CB LYS A 84 -2.145 12.173 -6.295 1.00 0.00 C ATOM 1312 CG LYS A 84 -2.244 13.266 -7.349 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.980 13.331 -8.208 1.00 0.00 C ATOM 1314 CE LYS A 84 0.258 13.719 -7.398 1.00 0.00 C ATOM 1315 NZ LYS A 84 1.505 13.665 -8.202 1.00 0.00 N ATOM 0 H LYS A 84 -2.465 10.270 -4.729 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.564 12.959 -4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.293 12.389 -5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.935 11.227 -6.795 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.109 13.082 -7.986 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.405 14.228 -6.863 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.814 12.362 -8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.127 14.054 -9.011 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.128 14.726 -7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.352 13.050 -6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.325 13.820 -7.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.585 12.733 -8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.479 14.404 -8.933 1.00 0.00 H new ATOM 1329 N GLN A 85 -5.401 12.515 -6.604 1.00 0.00 N ATOM 1330 CA GLN A 85 -6.647 12.260 -7.228 1.00 0.00 C ATOM 1331 C GLN A 85 -6.538 12.153 -8.748 1.00 0.00 C ATOM 1332 O GLN A 85 -7.520 12.378 -9.470 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.614 13.355 -6.834 1.00 0.00 C ATOM 1334 CG GLN A 85 -8.075 13.350 -5.374 1.00 0.00 C ATOM 1335 CD GLN A 85 -7.019 13.810 -4.378 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -6.147 14.629 -4.698 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -7.099 13.318 -3.171 1.00 0.00 N ATOM 0 H GLN A 85 -5.202 13.507 -6.477 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.010 11.291 -6.886 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.147 14.317 -7.044 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.494 13.282 -7.473 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.950 13.993 -5.280 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.391 12.341 -5.109 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.830 12.645 -2.942 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.430 13.607 -2.457 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.392 11.769 -9.211 1.00 0.00 N ATOM 1347 CA GLY A 86 -5.179 11.607 -10.625 1.00 0.00 C ATOM 1348 C GLY A 86 -4.566 12.835 -11.231 1.00 0.00 C ATOM 1349 O GLY A 86 -4.830 13.122 -12.405 1.00 0.00 O ATOM 1350 OXT GLY A 86 -3.811 13.537 -10.528 1.00 0.00 O ATOM 0 H GLY A 86 -4.580 11.559 -8.631 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.529 10.750 -10.801 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.129 11.393 -11.115 1.00 0.00 H new TER 1354 GLY A 86