USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 595 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 13 TYR OH : rot -15:sc= -2.27! USER MOD Set 1.2: A 34 THR OG1 : rot 104:sc= 0.708 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -158:sc= -0.33 (180deg=-1.23) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 165:sc= -4.28! (180deg=-5.07!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -13.2! C(o=-13!,f=-11!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -103:sc= -1.15 (180deg=-4.23!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.29) USER MOD Single : A 38 SER OG : rot -91:sc= 0.00437 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -142:sc= 0 (180deg=-0.0635) USER MOD Single : A 44 SER OG : rot 101:sc= 0.496! USER MOD Single : A 45 THR OG1 : rot -134:sc= -7.28! USER MOD Single : A 55 LYS NZ :NH3+ 160:sc= 0.01 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.62! K(o=-2.6!,f=-1.4) USER MOD Single : A 62 SER OG : rot 180:sc= -0.715 USER MOD Single : A 67 GLN : amide:sc= -9.08! C(o=-9.1!,f=-5.6!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0697) USER MOD Single : A 74 SER OG : rot 58:sc= 0.519 USER MOD Single : A 75 GLN : amide:sc= -0.0722 X(o=-0.072,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -12.908 -6.366 1.675 1.00 0.00 N ATOM 2 CA MET A 0 -13.066 -7.744 2.220 1.00 0.00 C ATOM 3 C MET A 0 -14.437 -7.872 2.888 1.00 0.00 C ATOM 4 O MET A 0 -15.242 -8.705 2.521 1.00 0.00 O ATOM 5 CB MET A 0 -11.968 -8.014 3.250 1.00 0.00 C ATOM 6 CG MET A 0 -11.070 -9.148 2.751 1.00 0.00 C ATOM 7 SD MET A 0 -9.452 -9.039 3.555 1.00 0.00 S ATOM 8 CE MET A 0 -8.446 -9.111 2.052 1.00 0.00 C ATOM 0 H1 MET A 0 -11.977 -6.277 1.221 1.00 0.00 H new ATOM 0 H2 MET A 0 -13.654 -6.182 0.974 1.00 0.00 H new ATOM 0 H3 MET A 0 -12.983 -5.676 2.449 1.00 0.00 H new ATOM 0 HA MET A 0 -12.988 -8.468 1.409 1.00 0.00 H new ATOM 0 HB2 MET A 0 -11.377 -7.113 3.413 1.00 0.00 H new ATOM 0 HB3 MET A 0 -12.412 -8.282 4.209 1.00 0.00 H new ATOM 0 HG2 MET A 0 -11.531 -10.112 2.967 1.00 0.00 H new ATOM 0 HG3 MET A 0 -10.955 -9.085 1.669 1.00 0.00 H new ATOM 0 HE1 MET A 0 -7.390 -9.058 2.318 1.00 0.00 H new ATOM 0 HE2 MET A 0 -8.642 -10.046 1.528 1.00 0.00 H new ATOM 0 HE3 MET A 0 -8.700 -8.272 1.404 1.00 0.00 H new ATOM 18 N LYS A 1 -14.709 -7.050 3.866 1.00 0.00 N ATOM 19 CA LYS A 1 -16.028 -7.123 4.554 1.00 0.00 C ATOM 20 C LYS A 1 -16.983 -6.109 3.925 1.00 0.00 C ATOM 21 O LYS A 1 -18.177 -6.144 4.142 1.00 0.00 O ATOM 22 CB LYS A 1 -15.849 -6.808 6.040 1.00 0.00 C ATOM 23 CG LYS A 1 -15.508 -8.094 6.792 1.00 0.00 C ATOM 24 CD LYS A 1 -15.315 -7.783 8.277 1.00 0.00 C ATOM 25 CE LYS A 1 -15.094 -9.088 9.046 1.00 0.00 C ATOM 26 NZ LYS A 1 -16.150 -10.071 8.669 1.00 0.00 N ATOM 0 H LYS A 1 -14.075 -6.332 4.217 1.00 0.00 H new ATOM 0 HA LYS A 1 -16.441 -8.126 4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -15.055 -6.073 6.175 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -16.762 -6.369 6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -16.306 -8.825 6.664 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -14.601 -8.538 6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -14.461 -7.119 8.413 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -16.189 -7.262 8.667 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -14.108 -9.493 8.820 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -15.123 -8.900 10.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -16.243 -10.786 9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -17.057 -9.577 8.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -15.888 -10.537 7.777 1.00 0.00 H new ATOM 40 N SER A 2 -16.462 -5.203 3.143 1.00 0.00 N ATOM 41 CA SER A 2 -17.338 -4.185 2.494 1.00 0.00 C ATOM 42 C SER A 2 -16.555 -3.464 1.389 1.00 0.00 C ATOM 43 O SER A 2 -15.343 -3.412 1.424 1.00 0.00 O ATOM 44 CB SER A 2 -17.793 -3.167 3.540 1.00 0.00 C ATOM 45 OG SER A 2 -16.681 -2.791 4.342 1.00 0.00 O ATOM 0 H SER A 2 -15.469 -5.123 2.925 1.00 0.00 H new ATOM 0 HA SER A 2 -18.208 -4.678 2.060 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.217 -2.290 3.051 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.578 -3.595 4.164 1.00 0.00 H new ATOM 0 HG SER A 2 -16.968 -2.137 5.013 1.00 0.00 H new ATOM 51 N PRO A 3 -17.278 -2.927 0.441 1.00 0.00 N ATOM 52 CA PRO A 3 -16.675 -2.197 -0.690 1.00 0.00 C ATOM 53 C PRO A 3 -16.004 -0.910 -0.189 1.00 0.00 C ATOM 54 O PRO A 3 -15.100 -0.386 -0.810 1.00 0.00 O ATOM 55 CB PRO A 3 -17.856 -1.865 -1.612 1.00 0.00 C ATOM 56 CG PRO A 3 -19.154 -2.340 -0.906 1.00 0.00 C ATOM 57 CD PRO A 3 -18.748 -3.009 0.416 1.00 0.00 C ATOM 0 HA PRO A 3 -15.906 -2.777 -1.200 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -17.898 -0.794 -1.809 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -17.741 -2.362 -2.575 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -19.819 -1.496 -0.720 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -19.699 -3.041 -1.538 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -19.188 -2.495 1.271 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -19.088 -4.044 0.457 1.00 0.00 H new ATOM 65 N GLU A 4 -16.441 -0.406 0.932 1.00 0.00 N ATOM 66 CA GLU A 4 -15.842 0.836 1.495 1.00 0.00 C ATOM 67 C GLU A 4 -14.572 0.479 2.260 1.00 0.00 C ATOM 68 O GLU A 4 -13.941 1.323 2.864 1.00 0.00 O ATOM 69 CB GLU A 4 -16.854 1.486 2.443 1.00 0.00 C ATOM 70 CG GLU A 4 -17.558 2.640 1.728 1.00 0.00 C ATOM 71 CD GLU A 4 -17.955 3.710 2.747 1.00 0.00 C ATOM 72 OE1 GLU A 4 -17.622 3.547 3.909 1.00 0.00 O ATOM 73 OE2 GLU A 4 -18.586 4.674 2.348 1.00 0.00 O ATOM 0 H GLU A 4 -17.196 -0.807 1.488 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.593 1.531 0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.586 0.748 2.772 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -16.348 1.853 3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.899 3.069 0.973 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -18.443 2.273 1.208 1.00 0.00 H new ATOM 80 N GLU A 5 -14.196 -0.769 2.251 1.00 0.00 N ATOM 81 CA GLU A 5 -12.979 -1.176 2.985 1.00 0.00 C ATOM 82 C GLU A 5 -11.740 -0.793 2.175 1.00 0.00 C ATOM 83 O GLU A 5 -10.623 -1.007 2.602 1.00 0.00 O ATOM 84 CB GLU A 5 -13.002 -2.688 3.208 1.00 0.00 C ATOM 85 CG GLU A 5 -12.762 -2.985 4.687 1.00 0.00 C ATOM 86 CD GLU A 5 -11.261 -3.138 4.946 1.00 0.00 C ATOM 87 OE1 GLU A 5 -10.691 -4.102 4.460 1.00 0.00 O ATOM 88 OE2 GLU A 5 -10.709 -2.291 5.630 1.00 0.00 O ATOM 0 H GLU A 5 -14.683 -1.522 1.765 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.948 -0.668 3.949 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.962 -3.099 2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.235 -3.168 2.600 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.166 -2.179 5.300 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.285 -3.897 4.974 1.00 0.00 H new ATOM 95 N LEU A 6 -11.921 -0.195 1.027 1.00 0.00 N ATOM 96 CA LEU A 6 -10.729 0.231 0.227 1.00 0.00 C ATOM 97 C LEU A 6 -10.291 1.563 0.783 1.00 0.00 C ATOM 98 O LEU A 6 -9.191 1.740 1.261 1.00 0.00 O ATOM 99 CB LEU A 6 -11.056 0.378 -1.272 1.00 0.00 C ATOM 100 CG LEU A 6 -12.528 0.064 -1.545 1.00 0.00 C ATOM 101 CD1 LEU A 6 -12.841 0.344 -3.017 1.00 0.00 C ATOM 102 CD2 LEU A 6 -12.791 -1.412 -1.239 1.00 0.00 C ATOM 0 H LEU A 6 -12.828 0.016 0.611 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.947 -0.525 0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.830 1.393 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -10.423 -0.293 -1.853 1.00 0.00 H new ATOM 0 HG LEU A 6 -13.162 0.687 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -13.889 0.121 -3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -12.645 1.393 -3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -12.211 -0.283 -3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -13.839 -1.642 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -12.160 -2.033 -1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -12.562 -1.613 -0.193 1.00 0.00 H new ATOM 114 N LYS A 7 -11.188 2.484 0.756 1.00 0.00 N ATOM 115 CA LYS A 7 -10.934 3.812 1.306 1.00 0.00 C ATOM 116 C LYS A 7 -10.768 3.715 2.833 1.00 0.00 C ATOM 117 O LYS A 7 -10.361 4.654 3.490 1.00 0.00 O ATOM 118 CB LYS A 7 -12.154 4.625 0.894 1.00 0.00 C ATOM 119 CG LYS A 7 -12.727 5.383 2.077 1.00 0.00 C ATOM 120 CD LYS A 7 -13.534 4.363 2.890 1.00 0.00 C ATOM 121 CE LYS A 7 -14.851 4.063 2.171 1.00 0.00 C ATOM 122 NZ LYS A 7 -15.784 5.216 2.327 1.00 0.00 N ATOM 0 H LYS A 7 -12.120 2.362 0.360 1.00 0.00 H new ATOM 0 HA LYS A 7 -10.017 4.276 0.942 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.879 5.327 0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.914 3.963 0.479 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.932 5.820 2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.362 6.204 1.743 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.959 3.446 3.016 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.733 4.753 3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.664 3.875 1.114 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.303 3.160 2.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.562 5.128 1.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.171 5.221 3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.270 6.104 2.155 1.00 0.00 H new ATOM 136 N GLY A 8 -11.092 2.582 3.394 1.00 0.00 N ATOM 137 CA GLY A 8 -10.972 2.404 4.869 1.00 0.00 C ATOM 138 C GLY A 8 -9.986 1.276 5.136 1.00 0.00 C ATOM 139 O GLY A 8 -10.353 0.181 5.514 1.00 0.00 O ATOM 0 H GLY A 8 -11.437 1.766 2.889 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.628 3.327 5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.944 2.170 5.303 1.00 0.00 H new ATOM 143 N ILE A 9 -8.736 1.539 4.913 1.00 0.00 N ATOM 144 CA ILE A 9 -7.697 0.500 5.109 1.00 0.00 C ATOM 145 C ILE A 9 -6.365 1.139 4.752 1.00 0.00 C ATOM 146 O ILE A 9 -5.403 1.090 5.487 1.00 0.00 O ATOM 147 CB ILE A 9 -8.020 -0.676 4.179 1.00 0.00 C ATOM 148 CG1 ILE A 9 -7.414 -1.965 4.738 1.00 0.00 C ATOM 149 CG2 ILE A 9 -7.497 -0.431 2.764 1.00 0.00 C ATOM 150 CD1 ILE A 9 -5.889 -1.872 4.689 1.00 0.00 C ATOM 0 H ILE A 9 -8.384 2.443 4.598 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.660 0.127 6.133 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.104 -0.773 4.127 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -7.747 -2.121 5.764 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.756 -2.822 4.158 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -7.744 -1.284 2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.959 0.468 2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.415 -0.302 2.793 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.456 -2.790 5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.566 -1.736 3.657 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.557 -1.024 5.288 1.00 0.00 H new ATOM 162 N PHE A 10 -6.346 1.781 3.634 1.00 0.00 N ATOM 163 CA PHE A 10 -5.129 2.503 3.178 1.00 0.00 C ATOM 164 C PHE A 10 -5.079 3.828 3.912 1.00 0.00 C ATOM 165 O PHE A 10 -4.230 4.087 4.741 1.00 0.00 O ATOM 166 CB PHE A 10 -5.274 2.799 1.697 1.00 0.00 C ATOM 167 CG PHE A 10 -4.209 3.779 1.261 1.00 0.00 C ATOM 168 CD1 PHE A 10 -4.446 5.157 1.350 1.00 0.00 C ATOM 169 CD2 PHE A 10 -2.984 3.313 0.774 1.00 0.00 C ATOM 170 CE1 PHE A 10 -3.461 6.064 0.956 1.00 0.00 C ATOM 171 CE2 PHE A 10 -1.998 4.223 0.377 1.00 0.00 C ATOM 172 CZ PHE A 10 -2.239 5.600 0.469 1.00 0.00 C ATOM 0 H PHE A 10 -7.139 1.842 2.996 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.234 1.910 3.366 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.188 1.876 1.123 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.263 3.210 1.495 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.393 5.518 1.724 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.799 2.251 0.704 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.645 7.126 1.028 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.052 3.864 -0.000 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.478 6.303 0.163 1.00 0.00 H new ATOM 182 N GLU A 11 -6.011 4.666 3.582 1.00 0.00 N ATOM 183 CA GLU A 11 -6.096 6.011 4.215 1.00 0.00 C ATOM 184 C GLU A 11 -5.855 5.895 5.722 1.00 0.00 C ATOM 185 O GLU A 11 -5.150 6.695 6.303 1.00 0.00 O ATOM 186 CB GLU A 11 -7.484 6.601 3.962 1.00 0.00 C ATOM 187 CG GLU A 11 -7.624 7.926 4.713 1.00 0.00 C ATOM 188 CD GLU A 11 -7.106 9.067 3.836 1.00 0.00 C ATOM 189 OE1 GLU A 11 -7.731 9.341 2.824 1.00 0.00 O ATOM 190 OE2 GLU A 11 -6.093 9.646 4.190 1.00 0.00 O ATOM 0 H GLU A 11 -6.733 4.476 2.887 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.336 6.662 3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.634 6.759 2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.253 5.902 4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.668 8.099 4.975 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.063 7.888 5.647 1.00 0.00 H new ATOM 197 N LYS A 12 -6.427 4.912 6.366 1.00 0.00 N ATOM 198 CA LYS A 12 -6.205 4.776 7.828 1.00 0.00 C ATOM 199 C LYS A 12 -4.721 4.486 8.063 1.00 0.00 C ATOM 200 O LYS A 12 -4.103 5.032 8.955 1.00 0.00 O ATOM 201 CB LYS A 12 -7.102 3.645 8.384 1.00 0.00 C ATOM 202 CG LYS A 12 -6.265 2.497 8.971 1.00 0.00 C ATOM 203 CD LYS A 12 -5.495 2.997 10.198 1.00 0.00 C ATOM 204 CE LYS A 12 -6.077 2.372 11.466 1.00 0.00 C ATOM 205 NZ LYS A 12 -5.231 1.218 11.883 1.00 0.00 N ATOM 0 H LYS A 12 -7.031 4.206 5.945 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.471 5.695 8.351 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.760 4.047 9.154 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.740 3.261 7.588 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.913 1.666 9.250 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.569 2.120 8.221 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.440 2.739 10.106 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.554 4.084 10.257 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.119 3.113 12.264 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.100 2.041 11.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.626 0.792 12.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.213 0.508 11.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.263 1.548 12.072 1.00 0.00 H new ATOM 219 N TYR A 13 -4.146 3.623 7.267 1.00 0.00 N ATOM 220 CA TYR A 13 -2.705 3.290 7.445 1.00 0.00 C ATOM 221 C TYR A 13 -1.840 4.499 7.096 1.00 0.00 C ATOM 222 O TYR A 13 -0.633 4.469 7.224 1.00 0.00 O ATOM 223 CB TYR A 13 -2.342 2.101 6.562 1.00 0.00 C ATOM 224 CG TYR A 13 -2.463 0.861 7.403 1.00 0.00 C ATOM 225 CD1 TYR A 13 -3.729 0.368 7.729 1.00 0.00 C ATOM 226 CD2 TYR A 13 -1.317 0.229 7.887 1.00 0.00 C ATOM 227 CE1 TYR A 13 -3.851 -0.764 8.536 1.00 0.00 C ATOM 228 CE2 TYR A 13 -1.435 -0.902 8.700 1.00 0.00 C ATOM 229 CZ TYR A 13 -2.703 -1.401 9.026 1.00 0.00 C ATOM 230 OH TYR A 13 -2.822 -2.517 9.828 1.00 0.00 O ATOM 0 H TYR A 13 -4.613 3.136 6.502 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.522 3.025 8.486 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.007 2.046 5.700 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.328 2.205 6.176 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.614 0.863 7.356 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.340 0.613 7.634 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.829 -1.149 8.783 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.549 -1.391 9.077 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.744 -2.590 10.152 1.00 0.00 H new ATOM 240 N ASP A 15 -2.454 5.572 6.687 1.00 0.00 N ATOM 241 CA ASP A 15 -1.705 6.796 6.371 1.00 0.00 C ATOM 242 C ASP A 15 -1.553 7.577 7.676 1.00 0.00 C ATOM 243 O ASP A 15 -1.871 8.746 7.759 1.00 0.00 O ATOM 244 CB ASP A 15 -2.516 7.611 5.366 1.00 0.00 C ATOM 245 CG ASP A 15 -1.580 8.231 4.328 1.00 0.00 C ATOM 246 OD1 ASP A 15 -0.813 9.103 4.698 1.00 0.00 O ATOM 247 OD2 ASP A 15 -1.647 7.822 3.180 1.00 0.00 O ATOM 0 H ASP A 15 -3.463 5.644 6.559 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.727 6.576 5.944 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.249 6.972 4.873 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.071 8.394 5.882 1.00 0.00 H new ATOM 252 N LYS A 16 -1.095 6.914 8.708 1.00 0.00 N ATOM 253 CA LYS A 16 -0.947 7.586 10.031 1.00 0.00 C ATOM 254 C LYS A 16 0.302 8.476 10.024 1.00 0.00 C ATOM 255 O LYS A 16 0.666 9.053 11.029 1.00 0.00 O ATOM 256 CB LYS A 16 -0.813 6.526 11.140 1.00 0.00 C ATOM 257 CG LYS A 16 -1.465 5.201 10.711 1.00 0.00 C ATOM 258 CD LYS A 16 -0.378 4.195 10.329 1.00 0.00 C ATOM 259 CE LYS A 16 -0.305 3.094 11.389 1.00 0.00 C ATOM 260 NZ LYS A 16 1.101 2.956 11.863 1.00 0.00 N ATOM 0 H LYS A 16 -0.817 5.933 8.689 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.828 8.200 10.219 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.240 6.361 11.367 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.283 6.888 12.054 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.073 4.804 11.523 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.132 5.369 9.866 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.596 3.761 9.353 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.585 4.699 10.246 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.960 3.335 12.226 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.654 2.149 10.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.153 2.208 12.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.715 2.707 11.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.418 3.856 12.275 1.00 0.00 H new ATOM 274 N GLU A 17 0.953 8.606 8.898 1.00 0.00 N ATOM 275 CA GLU A 17 2.161 9.476 8.837 1.00 0.00 C ATOM 276 C GLU A 17 1.720 10.928 8.634 1.00 0.00 C ATOM 277 O GLU A 17 2.465 11.857 8.876 1.00 0.00 O ATOM 278 CB GLU A 17 3.048 9.046 7.669 1.00 0.00 C ATOM 279 CG GLU A 17 4.513 9.251 8.051 1.00 0.00 C ATOM 280 CD GLU A 17 4.776 10.741 8.271 1.00 0.00 C ATOM 281 OE1 GLU A 17 4.714 11.481 7.304 1.00 0.00 O ATOM 282 OE2 GLU A 17 5.031 11.117 9.404 1.00 0.00 O ATOM 0 H GLU A 17 0.701 8.149 8.022 1.00 0.00 H new ATOM 0 HA GLU A 17 2.724 9.386 9.766 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.866 7.999 7.424 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.806 9.628 6.779 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.746 8.692 8.957 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.163 8.868 7.264 1.00 0.00 H new ATOM 289 N GLY A 18 0.508 11.124 8.188 1.00 0.00 N ATOM 290 CA GLY A 18 -0.001 12.501 7.962 1.00 0.00 C ATOM 291 C GLY A 18 0.578 13.038 6.658 1.00 0.00 C ATOM 292 O GLY A 18 0.890 14.205 6.540 1.00 0.00 O ATOM 0 H GLY A 18 -0.155 10.380 7.970 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.090 12.497 7.917 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.281 13.147 8.793 1.00 0.00 H new ATOM 296 N ASP A 19 0.735 12.190 5.677 1.00 0.00 N ATOM 297 CA ASP A 19 1.309 12.658 4.388 1.00 0.00 C ATOM 298 C ASP A 19 0.306 12.460 3.241 1.00 0.00 C ATOM 299 O ASP A 19 0.450 13.035 2.180 1.00 0.00 O ATOM 300 CB ASP A 19 2.589 11.872 4.087 1.00 0.00 C ATOM 301 CG ASP A 19 2.241 10.408 3.822 1.00 0.00 C ATOM 302 OD1 ASP A 19 1.620 9.802 4.678 1.00 0.00 O ATOM 303 OD2 ASP A 19 2.605 9.915 2.766 1.00 0.00 O ATOM 0 H ASP A 19 0.492 11.200 5.714 1.00 0.00 H new ATOM 0 HA ASP A 19 1.535 13.721 4.472 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.095 12.299 3.221 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.279 11.946 4.927 1.00 0.00 H new ATOM 308 N GLY A 20 -0.702 11.653 3.437 1.00 0.00 N ATOM 309 CA GLY A 20 -1.696 11.422 2.351 1.00 0.00 C ATOM 310 C GLY A 20 -1.400 10.082 1.679 1.00 0.00 C ATOM 311 O GLY A 20 -2.294 9.354 1.295 1.00 0.00 O ATOM 0 H GLY A 20 -0.880 11.144 4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.706 11.423 2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.648 12.228 1.619 1.00 0.00 H new ATOM 315 N GLN A 22 -0.145 9.750 1.537 1.00 0.00 N ATOM 316 CA GLN A 22 0.221 8.463 0.896 1.00 0.00 C ATOM 317 C GLN A 22 1.122 7.667 1.836 1.00 0.00 C ATOM 318 O GLN A 22 1.278 8.014 2.989 1.00 0.00 O ATOM 319 CB GLN A 22 0.911 8.746 -0.444 1.00 0.00 C ATOM 320 CG GLN A 22 1.955 9.842 -0.277 1.00 0.00 C ATOM 321 CD GLN A 22 2.349 10.367 -1.660 1.00 0.00 C ATOM 322 OE1 GLN A 22 2.863 11.460 -1.780 1.00 0.00 O ATOM 323 NE2 GLN A 22 2.133 9.626 -2.720 1.00 0.00 N ATOM 0 H GLN A 22 0.644 10.321 1.841 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.671 7.867 0.700 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.384 7.837 -0.817 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.171 9.048 -1.186 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.557 10.652 0.334 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.831 9.452 0.242 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.701 8.707 -2.621 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.397 9.968 -3.644 1.00 0.00 H new ATOM 332 N LEU A 23 1.671 6.571 1.387 1.00 0.00 N ATOM 333 CA LEU A 23 2.490 5.758 2.307 1.00 0.00 C ATOM 334 C LEU A 23 3.909 5.542 1.827 1.00 0.00 C ATOM 335 O LEU A 23 4.155 5.190 0.691 1.00 0.00 O ATOM 336 CB LEU A 23 1.943 4.341 2.374 1.00 0.00 C ATOM 337 CG LEU A 23 0.430 4.281 2.445 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.026 2.928 1.846 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.000 4.333 3.915 1.00 0.00 C ATOM 0 H LEU A 23 1.586 6.214 0.436 1.00 0.00 H new ATOM 0 HA LEU A 23 2.466 6.308 3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.280 3.788 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.360 3.840 3.247 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.035 5.109 1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.059 2.829 1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.372 2.869 0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.477 2.124 2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.087 4.290 3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.428 3.485 4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.353 5.261 4.365 1.00 0.00 H new ATOM 351 N SER A 24 4.814 5.552 2.751 1.00 0.00 N ATOM 352 CA SER A 24 6.182 5.130 2.421 1.00 0.00 C ATOM 353 C SER A 24 6.056 3.631 2.683 1.00 0.00 C ATOM 354 O SER A 24 5.076 3.229 3.278 1.00 0.00 O ATOM 355 CB SER A 24 7.197 5.777 3.370 1.00 0.00 C ATOM 356 OG SER A 24 8.476 5.193 3.162 1.00 0.00 O ATOM 0 H SER A 24 4.662 5.835 3.719 1.00 0.00 H new ATOM 0 HA SER A 24 6.528 5.398 1.423 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.243 6.852 3.194 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.885 5.637 4.405 1.00 0.00 H new ATOM 0 HG SER A 24 9.127 5.607 3.767 1.00 0.00 H new ATOM 362 N LYS A 25 6.930 2.773 2.273 1.00 0.00 N ATOM 363 CA LYS A 25 6.635 1.346 2.586 1.00 0.00 C ATOM 364 C LYS A 25 6.345 1.167 4.081 1.00 0.00 C ATOM 365 O LYS A 25 5.789 0.168 4.491 1.00 0.00 O ATOM 366 CB LYS A 25 7.780 0.423 2.178 1.00 0.00 C ATOM 367 CG LYS A 25 7.380 -0.353 0.934 1.00 0.00 C ATOM 368 CD LYS A 25 7.112 -1.807 1.318 1.00 0.00 C ATOM 369 CE LYS A 25 8.420 -2.594 1.244 1.00 0.00 C ATOM 370 NZ LYS A 25 9.009 -2.716 2.607 1.00 0.00 N ATOM 0 H LYS A 25 7.791 2.970 1.763 1.00 0.00 H new ATOM 0 HA LYS A 25 5.753 1.072 2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.680 1.006 1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.015 -0.265 2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.490 0.088 0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.172 -0.301 0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.698 -1.860 2.325 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.373 -2.243 0.646 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.237 -3.584 0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.121 -2.091 0.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.797 -2.045 2.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.282 -2.503 3.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.359 -3.685 2.748 1.00 0.00 H new ATOM 384 N GLU A 26 6.709 2.110 4.903 1.00 0.00 N ATOM 385 CA GLU A 26 6.435 1.956 6.360 1.00 0.00 C ATOM 386 C GLU A 26 4.941 1.683 6.587 1.00 0.00 C ATOM 387 O GLU A 26 4.575 0.882 7.418 1.00 0.00 O ATOM 388 CB GLU A 26 6.836 3.234 7.099 1.00 0.00 C ATOM 389 CG GLU A 26 8.237 3.062 7.691 1.00 0.00 C ATOM 390 CD GLU A 26 9.260 2.945 6.559 1.00 0.00 C ATOM 391 OE1 GLU A 26 9.476 1.838 6.095 1.00 0.00 O ATOM 392 OE2 GLU A 26 9.808 3.964 6.176 1.00 0.00 O ATOM 0 H GLU A 26 7.180 2.974 4.634 1.00 0.00 H new ATOM 0 HA GLU A 26 7.016 1.117 6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.820 4.083 6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.119 3.449 7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.480 3.912 8.329 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.271 2.172 8.319 1.00 0.00 H new ATOM 399 N GLU A 27 4.078 2.355 5.868 1.00 0.00 N ATOM 400 CA GLU A 27 2.610 2.145 6.059 1.00 0.00 C ATOM 401 C GLU A 27 2.050 1.137 5.040 1.00 0.00 C ATOM 402 O GLU A 27 0.988 0.584 5.239 1.00 0.00 O ATOM 403 CB GLU A 27 1.899 3.486 5.914 1.00 0.00 C ATOM 404 CG GLU A 27 2.311 4.393 7.073 1.00 0.00 C ATOM 405 CD GLU A 27 3.757 4.850 6.875 1.00 0.00 C ATOM 406 OE1 GLU A 27 4.080 5.271 5.776 1.00 0.00 O ATOM 407 OE2 GLU A 27 4.518 4.771 7.824 1.00 0.00 O ATOM 0 H GLU A 27 4.327 3.041 5.156 1.00 0.00 H new ATOM 0 HA GLU A 27 2.440 1.735 7.054 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.159 3.949 4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.819 3.342 5.914 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.649 5.258 7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.213 3.860 8.019 1.00 0.00 H new ATOM 414 N LEU A 28 2.736 0.888 3.954 1.00 0.00 N ATOM 415 CA LEU A 28 2.211 -0.082 2.954 1.00 0.00 C ATOM 416 C LEU A 28 2.542 -1.520 3.385 1.00 0.00 C ATOM 417 O LEU A 28 1.664 -2.351 3.518 1.00 0.00 O ATOM 418 CB LEU A 28 2.843 0.223 1.598 1.00 0.00 C ATOM 419 CG LEU A 28 1.782 0.135 0.495 1.00 0.00 C ATOM 420 CD1 LEU A 28 2.250 0.921 -0.734 1.00 0.00 C ATOM 421 CD2 LEU A 28 1.567 -1.328 0.109 1.00 0.00 C ATOM 0 H LEU A 28 3.633 1.314 3.719 1.00 0.00 H new ATOM 0 HA LEU A 28 1.127 0.011 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.286 1.219 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.649 -0.482 1.396 1.00 0.00 H new ATOM 0 HG LEU A 28 0.846 0.557 0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.494 0.857 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.402 1.965 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.187 0.501 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.813 -1.390 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.504 -1.750 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.231 -1.889 0.981 1.00 0.00 H new ATOM 433 N LYS A 29 3.797 -1.824 3.610 1.00 0.00 N ATOM 434 CA LYS A 29 4.168 -3.204 4.037 1.00 0.00 C ATOM 435 C LYS A 29 3.200 -3.659 5.123 1.00 0.00 C ATOM 436 O LYS A 29 2.702 -4.768 5.112 1.00 0.00 O ATOM 437 CB LYS A 29 5.592 -3.198 4.599 1.00 0.00 C ATOM 438 CG LYS A 29 6.227 -4.577 4.410 1.00 0.00 C ATOM 439 CD LYS A 29 7.710 -4.508 4.776 1.00 0.00 C ATOM 440 CE LYS A 29 7.957 -5.303 6.059 1.00 0.00 C ATOM 441 NZ LYS A 29 9.248 -6.043 5.949 1.00 0.00 N ATOM 0 H LYS A 29 4.578 -1.175 3.516 1.00 0.00 H new ATOM 0 HA LYS A 29 4.118 -3.882 3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.190 -2.439 4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.575 -2.937 5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.720 -5.312 5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.111 -4.904 3.377 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.315 -4.911 3.964 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.013 -3.470 4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.984 -4.630 6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.139 -6.003 6.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.414 -6.583 6.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.206 -6.696 5.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.025 -5.366 5.807 1.00 0.00 H new ATOM 455 N LEU A 30 2.925 -2.796 6.055 1.00 0.00 N ATOM 456 CA LEU A 30 1.978 -3.154 7.150 1.00 0.00 C ATOM 457 C LEU A 30 0.578 -3.250 6.551 1.00 0.00 C ATOM 458 O LEU A 30 -0.205 -4.114 6.889 1.00 0.00 O ATOM 459 CB LEU A 30 1.971 -2.084 8.257 1.00 0.00 C ATOM 460 CG LEU A 30 3.196 -1.167 8.154 1.00 0.00 C ATOM 461 CD1 LEU A 30 3.135 -0.120 9.269 1.00 0.00 C ATOM 462 CD2 LEU A 30 4.476 -1.993 8.312 1.00 0.00 C ATOM 0 H LEU A 30 3.314 -1.855 6.109 1.00 0.00 H new ATOM 0 HA LEU A 30 2.289 -4.100 7.592 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.061 -1.488 8.184 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.958 -2.568 9.233 1.00 0.00 H new ATOM 0 HG LEU A 30 3.199 -0.676 7.181 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.004 0.535 9.201 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.225 0.471 9.164 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.133 -0.620 10.238 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.344 -1.337 8.238 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.474 -2.484 9.285 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.522 -2.746 7.525 1.00 0.00 H new ATOM 474 N LEU A 31 0.269 -2.354 5.658 1.00 0.00 N ATOM 475 CA LEU A 31 -1.069 -2.351 5.009 1.00 0.00 C ATOM 476 C LEU A 31 -1.417 -3.753 4.503 1.00 0.00 C ATOM 477 O LEU A 31 -2.523 -4.227 4.676 1.00 0.00 O ATOM 478 CB LEU A 31 -1.029 -1.382 3.825 1.00 0.00 C ATOM 479 CG LEU A 31 -2.451 -1.009 3.406 1.00 0.00 C ATOM 480 CD1 LEU A 31 -3.196 -2.254 2.927 1.00 0.00 C ATOM 481 CD2 LEU A 31 -3.192 -0.405 4.596 1.00 0.00 C ATOM 0 H LEU A 31 0.897 -1.613 5.346 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.825 -2.043 5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.474 -0.484 4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.503 -1.840 2.987 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.404 -0.282 2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.208 -1.980 2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.672 -2.686 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.240 -2.985 3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.206 -0.139 4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.232 -1.132 5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.668 0.488 4.935 1.00 0.00 H new ATOM 493 N LEU A 32 -0.495 -4.410 3.855 1.00 0.00 N ATOM 494 CA LEU A 32 -0.777 -5.757 3.310 1.00 0.00 C ATOM 495 C LEU A 32 -0.707 -6.825 4.410 1.00 0.00 C ATOM 496 O LEU A 32 -1.701 -7.424 4.767 1.00 0.00 O ATOM 497 CB LEU A 32 0.278 -6.049 2.249 1.00 0.00 C ATOM 498 CG LEU A 32 -0.220 -5.582 0.881 1.00 0.00 C ATOM 499 CD1 LEU A 32 0.694 -4.475 0.353 1.00 0.00 C ATOM 500 CD2 LEU A 32 -0.201 -6.758 -0.094 1.00 0.00 C ATOM 0 H LEU A 32 0.448 -4.064 3.681 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.782 -5.781 2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.209 -5.541 2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.494 -7.117 2.222 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.236 -5.200 0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.338 -4.143 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.686 -3.635 1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.710 -4.857 0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.556 -6.427 -1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.817 -7.137 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.850 -7.550 0.279 1.00 0.00 H new ATOM 512 N GLN A 33 0.461 -7.084 4.931 1.00 0.00 N ATOM 513 CA GLN A 33 0.601 -8.133 5.989 1.00 0.00 C ATOM 514 C GLN A 33 -0.586 -8.084 6.953 1.00 0.00 C ATOM 515 O GLN A 33 -0.982 -9.086 7.514 1.00 0.00 O ATOM 516 CB GLN A 33 1.890 -7.889 6.773 1.00 0.00 C ATOM 517 CG GLN A 33 1.769 -6.578 7.551 1.00 0.00 C ATOM 518 CD GLN A 33 2.877 -6.501 8.605 1.00 0.00 C ATOM 519 OE1 GLN A 33 2.602 -6.371 9.782 1.00 0.00 O ATOM 520 NE2 GLN A 33 4.126 -6.578 8.232 1.00 0.00 N ATOM 0 H GLN A 33 1.329 -6.615 4.671 1.00 0.00 H new ATOM 0 HA GLN A 33 0.630 -9.112 5.511 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.074 -8.716 7.459 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.740 -7.844 6.092 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.843 -5.731 6.869 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.792 -6.517 8.031 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.358 -6.687 7.245 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.870 -6.529 8.928 1.00 0.00 H new ATOM 529 N THR A 34 -1.148 -6.929 7.160 1.00 0.00 N ATOM 530 CA THR A 34 -2.299 -6.823 8.103 1.00 0.00 C ATOM 531 C THR A 34 -3.617 -7.110 7.376 1.00 0.00 C ATOM 532 O THR A 34 -4.231 -8.139 7.575 1.00 0.00 O ATOM 533 CB THR A 34 -2.345 -5.412 8.696 1.00 0.00 C ATOM 534 OG1 THR A 34 -1.021 -4.945 8.911 1.00 0.00 O ATOM 535 CG2 THR A 34 -3.101 -5.444 10.024 1.00 0.00 C ATOM 0 H THR A 34 -0.863 -6.054 6.720 1.00 0.00 H new ATOM 0 HA THR A 34 -2.168 -7.556 8.899 1.00 0.00 H new ATOM 0 HB THR A 34 -2.856 -4.742 8.005 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.786 -4.297 8.215 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.135 -4.440 10.448 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.117 -5.801 9.856 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.591 -6.113 10.717 1.00 0.00 H new ATOM 543 N GLU A 35 -4.066 -6.203 6.552 1.00 0.00 N ATOM 544 CA GLU A 35 -5.356 -6.420 5.836 1.00 0.00 C ATOM 545 C GLU A 35 -5.146 -7.320 4.614 1.00 0.00 C ATOM 546 O GLU A 35 -5.959 -8.174 4.319 1.00 0.00 O ATOM 547 CB GLU A 35 -5.919 -5.067 5.392 1.00 0.00 C ATOM 548 CG GLU A 35 -6.549 -4.363 6.597 1.00 0.00 C ATOM 549 CD GLU A 35 -8.021 -4.760 6.714 1.00 0.00 C ATOM 550 OE1 GLU A 35 -8.282 -5.907 7.039 1.00 0.00 O ATOM 551 OE2 GLU A 35 -8.864 -3.910 6.476 1.00 0.00 O ATOM 0 H GLU A 35 -3.596 -5.322 6.344 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.059 -6.910 6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.125 -4.451 4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.663 -5.209 4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.016 -4.634 7.508 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.462 -3.282 6.486 1.00 0.00 H new ATOM 558 N PHE A 36 -4.068 -7.143 3.898 1.00 0.00 N ATOM 559 CA PHE A 36 -3.823 -8.002 2.700 1.00 0.00 C ATOM 560 C PHE A 36 -2.677 -8.978 2.994 1.00 0.00 C ATOM 561 O PHE A 36 -1.560 -8.764 2.568 1.00 0.00 O ATOM 562 CB PHE A 36 -3.459 -7.122 1.501 1.00 0.00 C ATOM 563 CG PHE A 36 -4.407 -5.947 1.429 1.00 0.00 C ATOM 564 CD1 PHE A 36 -5.736 -6.094 1.851 1.00 0.00 C ATOM 565 CD2 PHE A 36 -3.963 -4.712 0.939 1.00 0.00 C ATOM 566 CE1 PHE A 36 -6.617 -5.010 1.782 1.00 0.00 C ATOM 567 CE2 PHE A 36 -4.847 -3.629 0.870 1.00 0.00 C ATOM 568 CZ PHE A 36 -6.172 -3.777 1.292 1.00 0.00 C ATOM 0 H PHE A 36 -3.349 -6.445 4.088 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.726 -8.567 2.469 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.432 -6.769 1.595 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.513 -7.703 0.580 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.080 -7.045 2.230 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.939 -4.596 0.615 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.641 -5.124 2.107 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.505 -2.677 0.490 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.852 -2.940 1.240 1.00 0.00 H new ATOM 578 N PRO A 37 -2.991 -10.021 3.726 1.00 0.00 N ATOM 579 CA PRO A 37 -2.002 -11.057 4.110 1.00 0.00 C ATOM 580 C PRO A 37 -1.603 -11.916 2.912 1.00 0.00 C ATOM 581 O PRO A 37 -0.466 -12.266 2.746 1.00 0.00 O ATOM 582 CB PRO A 37 -2.763 -11.946 5.090 1.00 0.00 C ATOM 583 CG PRO A 37 -4.257 -11.694 4.815 1.00 0.00 C ATOM 584 CD PRO A 37 -4.353 -10.271 4.240 1.00 0.00 C ATOM 0 HA PRO A 37 -1.094 -10.609 4.513 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.510 -12.996 4.942 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.508 -11.699 6.121 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.652 -12.426 4.111 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.842 -11.784 5.730 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.100 -10.206 3.449 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.634 -9.546 5.004 1.00 0.00 H new ATOM 592 N SER A 38 -2.558 -12.302 2.118 1.00 0.00 N ATOM 593 CA SER A 38 -2.292 -13.187 0.967 1.00 0.00 C ATOM 594 C SER A 38 -1.050 -12.737 0.194 1.00 0.00 C ATOM 595 O SER A 38 -0.085 -13.466 0.076 1.00 0.00 O ATOM 596 CB SER A 38 -3.501 -13.174 0.033 1.00 0.00 C ATOM 597 OG SER A 38 -4.033 -11.857 -0.028 1.00 0.00 O ATOM 0 H SER A 38 -3.535 -12.031 2.226 1.00 0.00 H new ATOM 0 HA SER A 38 -2.113 -14.194 1.343 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.209 -13.507 -0.963 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.260 -13.869 0.392 1.00 0.00 H new ATOM 0 HG SER A 38 -4.722 -11.750 0.661 1.00 0.00 H new ATOM 603 N LEU A 39 -1.069 -11.552 -0.355 1.00 0.00 N ATOM 604 CA LEU A 39 0.114 -11.083 -1.142 1.00 0.00 C ATOM 605 C LEU A 39 1.378 -11.152 -0.280 1.00 0.00 C ATOM 606 O LEU A 39 2.298 -11.894 -0.561 1.00 0.00 O ATOM 607 CB LEU A 39 -0.104 -9.637 -1.599 1.00 0.00 C ATOM 608 CG LEU A 39 -1.465 -9.499 -2.288 1.00 0.00 C ATOM 609 CD1 LEU A 39 -1.661 -8.050 -2.740 1.00 0.00 C ATOM 610 CD2 LEU A 39 -1.524 -10.421 -3.509 1.00 0.00 C ATOM 0 H LEU A 39 -1.844 -10.892 -0.295 1.00 0.00 H new ATOM 0 HA LEU A 39 0.233 -11.728 -2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.052 -8.965 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.690 -9.341 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.252 -9.777 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.629 -7.950 -3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.623 -7.390 -1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.870 -7.777 -3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.494 -10.319 -3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.736 -10.147 -4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.384 -11.454 -3.192 1.00 0.00 H new ATOM 622 N LEU A 40 1.420 -10.381 0.766 1.00 0.00 N ATOM 623 CA LEU A 40 2.615 -10.381 1.668 1.00 0.00 C ATOM 624 C LEU A 40 2.916 -11.810 2.129 1.00 0.00 C ATOM 625 O LEU A 40 4.000 -12.130 2.575 1.00 0.00 O ATOM 626 CB LEU A 40 2.289 -9.533 2.896 1.00 0.00 C ATOM 627 CG LEU A 40 3.366 -8.473 3.120 1.00 0.00 C ATOM 628 CD1 LEU A 40 4.754 -9.065 2.867 1.00 0.00 C ATOM 629 CD2 LEU A 40 3.128 -7.292 2.177 1.00 0.00 C ATOM 0 H LEU A 40 0.674 -9.743 1.043 1.00 0.00 H new ATOM 0 HA LEU A 40 3.478 -9.981 1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.320 -9.052 2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.212 -10.172 3.776 1.00 0.00 H new ATOM 0 HG LEU A 40 3.314 -8.129 4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.512 -8.299 3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.925 -9.896 3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.815 -9.423 1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.897 -6.537 2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.169 -7.637 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.148 -6.859 2.376 1.00 0.00 H new ATOM 641 N LYS A 41 1.938 -12.649 2.035 1.00 0.00 N ATOM 642 CA LYS A 41 2.070 -14.065 2.467 1.00 0.00 C ATOM 643 C LYS A 41 2.583 -14.918 1.304 1.00 0.00 C ATOM 644 O LYS A 41 2.168 -16.047 1.122 1.00 0.00 O ATOM 645 CB LYS A 41 0.686 -14.567 2.904 1.00 0.00 C ATOM 646 CG LYS A 41 0.803 -15.999 3.426 1.00 0.00 C ATOM 647 CD LYS A 41 0.543 -16.011 4.932 1.00 0.00 C ATOM 648 CE LYS A 41 0.019 -17.384 5.352 1.00 0.00 C ATOM 649 NZ LYS A 41 0.391 -17.643 6.770 1.00 0.00 N ATOM 0 H LYS A 41 1.019 -12.408 1.664 1.00 0.00 H new ATOM 0 HA LYS A 41 2.777 -14.139 3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.281 -13.918 3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.007 -14.531 2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.087 -16.644 2.917 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.796 -16.396 3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.462 -15.781 5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.181 -15.239 5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.064 -17.423 5.236 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.437 -18.158 4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.035 -18.577 7.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.426 -17.622 6.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.028 -16.911 7.378 1.00 0.00 H new ATOM 663 N GLY A 42 3.480 -14.394 0.513 1.00 0.00 N ATOM 664 CA GLY A 42 4.010 -15.184 -0.634 1.00 0.00 C ATOM 665 C GLY A 42 4.873 -14.287 -1.523 1.00 0.00 C ATOM 666 O GLY A 42 4.734 -14.276 -2.730 1.00 0.00 O ATOM 0 H GLY A 42 3.868 -13.456 0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.599 -16.024 -0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.186 -15.601 -1.213 1.00 0.00 H new ATOM 670 N MET A 43 5.768 -13.537 -0.939 1.00 0.00 N ATOM 671 CA MET A 43 6.643 -12.645 -1.753 1.00 0.00 C ATOM 672 C MET A 43 5.795 -11.911 -2.797 1.00 0.00 C ATOM 673 O MET A 43 4.583 -11.888 -2.708 1.00 0.00 O ATOM 674 CB MET A 43 7.709 -13.487 -2.457 1.00 0.00 C ATOM 675 CG MET A 43 8.450 -14.339 -1.424 1.00 0.00 C ATOM 676 SD MET A 43 7.467 -15.808 -1.035 1.00 0.00 S ATOM 677 CE MET A 43 8.006 -16.817 -2.436 1.00 0.00 C ATOM 0 H MET A 43 5.931 -13.503 0.067 1.00 0.00 H new ATOM 0 HA MET A 43 7.126 -11.915 -1.104 1.00 0.00 H new ATOM 0 HB2 MET A 43 7.245 -14.128 -3.207 1.00 0.00 H new ATOM 0 HB3 MET A 43 8.412 -12.839 -2.981 1.00 0.00 H new ATOM 0 HG2 MET A 43 9.425 -14.633 -1.812 1.00 0.00 H new ATOM 0 HG3 MET A 43 8.629 -13.758 -0.519 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.164 -17.398 -2.811 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.381 -16.169 -3.228 1.00 0.00 H new ATOM 0 HE3 MET A 43 8.798 -17.493 -2.114 1.00 0.00 H new ATOM 687 N SER A 44 6.429 -11.304 -3.773 1.00 0.00 N ATOM 688 CA SER A 44 5.681 -10.558 -4.827 1.00 0.00 C ATOM 689 C SER A 44 5.439 -9.127 -4.354 1.00 0.00 C ATOM 690 O SER A 44 4.923 -8.302 -5.082 1.00 0.00 O ATOM 691 CB SER A 44 4.338 -11.237 -5.110 1.00 0.00 C ATOM 692 OG SER A 44 4.475 -12.640 -4.935 1.00 0.00 O ATOM 0 H SER A 44 7.443 -11.296 -3.882 1.00 0.00 H new ATOM 0 HA SER A 44 6.270 -10.552 -5.744 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.572 -10.848 -4.439 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.013 -11.016 -6.127 1.00 0.00 H new ATOM 0 HG SER A 44 4.117 -12.897 -4.060 1.00 0.00 H new ATOM 698 N THR A 45 5.809 -8.823 -3.141 1.00 0.00 N ATOM 699 CA THR A 45 5.601 -7.446 -2.629 1.00 0.00 C ATOM 700 C THR A 45 6.898 -6.913 -2.027 1.00 0.00 C ATOM 701 O THR A 45 7.894 -6.795 -2.706 1.00 0.00 O ATOM 702 CB THR A 45 4.477 -7.456 -1.603 1.00 0.00 C ATOM 703 OG1 THR A 45 4.373 -6.185 -0.984 1.00 0.00 O ATOM 704 CG2 THR A 45 4.745 -8.534 -0.552 1.00 0.00 C ATOM 0 H THR A 45 6.246 -9.470 -2.485 1.00 0.00 H new ATOM 0 HA THR A 45 5.317 -6.784 -3.447 1.00 0.00 H new ATOM 0 HB THR A 45 3.536 -7.678 -2.107 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.290 -6.299 -0.014 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.938 -8.537 0.180 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.799 -9.509 -1.036 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.690 -8.325 -0.050 1.00 0.00 H new ATOM 712 N LEU A 46 6.919 -6.580 -0.774 1.00 0.00 N ATOM 713 CA LEU A 46 8.178 -6.041 -0.208 1.00 0.00 C ATOM 714 C LEU A 46 8.727 -4.966 -1.178 1.00 0.00 C ATOM 715 O LEU A 46 8.210 -3.867 -1.241 1.00 0.00 O ATOM 716 CB LEU A 46 9.180 -7.192 -0.016 1.00 0.00 C ATOM 717 CG LEU A 46 10.269 -6.787 0.985 1.00 0.00 C ATOM 718 CD1 LEU A 46 10.913 -5.468 0.558 1.00 0.00 C ATOM 719 CD2 LEU A 46 9.646 -6.619 2.373 1.00 0.00 C ATOM 0 H LEU A 46 6.135 -6.655 -0.126 1.00 0.00 H new ATOM 0 HA LEU A 46 8.006 -5.581 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.660 -8.080 0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.634 -7.452 -0.972 1.00 0.00 H new ATOM 0 HG LEU A 46 11.033 -7.564 1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.685 -5.191 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.361 -5.584 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.153 -4.687 0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.418 -6.331 3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.879 -5.845 2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.196 -7.561 2.686 1.00 0.00 H new ATOM 731 N ASP A 47 9.743 -5.269 -1.952 1.00 0.00 N ATOM 732 CA ASP A 47 10.282 -4.274 -2.921 1.00 0.00 C ATOM 733 C ASP A 47 9.565 -4.418 -4.248 1.00 0.00 C ATOM 734 O ASP A 47 10.172 -4.511 -5.296 1.00 0.00 O ATOM 735 CB ASP A 47 11.751 -4.516 -3.149 1.00 0.00 C ATOM 736 CG ASP A 47 12.581 -3.512 -2.345 1.00 0.00 C ATOM 737 OD1 ASP A 47 12.661 -2.368 -2.764 1.00 0.00 O ATOM 738 OD2 ASP A 47 13.121 -3.902 -1.324 1.00 0.00 O ATOM 0 H ASP A 47 10.222 -6.170 -1.950 1.00 0.00 H new ATOM 0 HA ASP A 47 10.130 -3.275 -2.513 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.010 -5.533 -2.854 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.982 -4.424 -4.210 1.00 0.00 H new ATOM 743 N GLU A 48 8.300 -4.476 -4.207 1.00 0.00 N ATOM 744 CA GLU A 48 7.520 -4.656 -5.423 1.00 0.00 C ATOM 745 C GLU A 48 6.383 -3.657 -5.382 1.00 0.00 C ATOM 746 O GLU A 48 6.325 -2.737 -6.159 1.00 0.00 O ATOM 747 CB GLU A 48 7.017 -6.090 -5.407 1.00 0.00 C ATOM 748 CG GLU A 48 7.361 -6.772 -6.717 1.00 0.00 C ATOM 749 CD GLU A 48 6.100 -6.916 -7.572 1.00 0.00 C ATOM 750 OE1 GLU A 48 5.021 -6.924 -7.003 1.00 0.00 O ATOM 751 OE2 GLU A 48 6.236 -7.019 -8.780 1.00 0.00 O ATOM 0 H GLU A 48 7.748 -4.404 -3.352 1.00 0.00 H new ATOM 0 HA GLU A 48 8.091 -4.488 -6.336 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.466 -6.633 -4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.938 -6.105 -5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.111 -6.192 -7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.795 -7.753 -6.524 1.00 0.00 H new ATOM 758 N LEU A 49 5.513 -3.795 -4.443 1.00 0.00 N ATOM 759 CA LEU A 49 4.427 -2.806 -4.320 1.00 0.00 C ATOM 760 C LEU A 49 5.088 -1.448 -4.103 1.00 0.00 C ATOM 761 O LEU A 49 4.565 -0.420 -4.483 1.00 0.00 O ATOM 762 CB LEU A 49 3.535 -3.151 -3.122 1.00 0.00 C ATOM 763 CG LEU A 49 4.315 -2.962 -1.817 1.00 0.00 C ATOM 764 CD1 LEU A 49 4.325 -1.482 -1.429 1.00 0.00 C ATOM 765 CD2 LEU A 49 3.641 -3.768 -0.707 1.00 0.00 C ATOM 0 H LEU A 49 5.504 -4.548 -3.755 1.00 0.00 H new ATOM 0 HA LEU A 49 3.802 -2.800 -5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.650 -2.515 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.187 -4.181 -3.202 1.00 0.00 H new ATOM 0 HG LEU A 49 5.340 -3.306 -1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.881 -1.353 -0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.800 -0.902 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.301 -1.135 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.192 -3.637 0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.617 -3.419 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.632 -4.824 -0.978 1.00 0.00 H new ATOM 777 N PHE A 50 6.258 -1.441 -3.500 1.00 0.00 N ATOM 778 CA PHE A 50 6.961 -0.157 -3.274 1.00 0.00 C ATOM 779 C PHE A 50 7.734 0.210 -4.521 1.00 0.00 C ATOM 780 O PHE A 50 7.504 1.227 -5.109 1.00 0.00 O ATOM 781 CB PHE A 50 7.923 -0.262 -2.098 1.00 0.00 C ATOM 782 CG PHE A 50 8.110 1.113 -1.488 1.00 0.00 C ATOM 783 CD1 PHE A 50 6.996 1.896 -1.168 1.00 0.00 C ATOM 784 CD2 PHE A 50 9.402 1.599 -1.242 1.00 0.00 C ATOM 785 CE1 PHE A 50 7.173 3.165 -0.600 1.00 0.00 C ATOM 786 CE2 PHE A 50 9.578 2.868 -0.674 1.00 0.00 C ATOM 787 CZ PHE A 50 8.463 3.651 -0.354 1.00 0.00 C ATOM 0 H PHE A 50 6.745 -2.270 -3.160 1.00 0.00 H new ATOM 0 HA PHE A 50 6.221 0.611 -3.047 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.532 -0.954 -1.353 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.882 -0.660 -2.430 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.000 1.523 -1.358 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.262 0.995 -1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.313 3.769 -0.352 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.573 3.241 -0.483 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.597 4.630 0.082 1.00 0.00 H new ATOM 797 N GLU A 51 8.646 -0.618 -4.939 1.00 0.00 N ATOM 798 CA GLU A 51 9.427 -0.287 -6.167 1.00 0.00 C ATOM 799 C GLU A 51 8.457 0.180 -7.255 1.00 0.00 C ATOM 800 O GLU A 51 8.821 0.896 -8.167 1.00 0.00 O ATOM 801 CB GLU A 51 10.207 -1.517 -6.645 1.00 0.00 C ATOM 802 CG GLU A 51 9.242 -2.556 -7.216 1.00 0.00 C ATOM 803 CD GLU A 51 9.043 -2.308 -8.711 1.00 0.00 C ATOM 804 OE1 GLU A 51 10.029 -2.073 -9.390 1.00 0.00 O ATOM 805 OE2 GLU A 51 7.907 -2.358 -9.153 1.00 0.00 O ATOM 0 H GLU A 51 8.886 -1.502 -4.491 1.00 0.00 H new ATOM 0 HA GLU A 51 10.142 0.506 -5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.932 -1.226 -7.405 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.769 -1.947 -5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.635 -3.560 -7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.285 -2.501 -6.698 1.00 0.00 H new ATOM 812 N GLU A 52 7.220 -0.222 -7.156 1.00 0.00 N ATOM 813 CA GLU A 52 6.203 0.186 -8.169 1.00 0.00 C ATOM 814 C GLU A 52 6.221 1.717 -8.378 1.00 0.00 C ATOM 815 O GLU A 52 6.253 2.198 -9.494 1.00 0.00 O ATOM 816 CB GLU A 52 4.819 -0.242 -7.668 1.00 0.00 C ATOM 817 CG GLU A 52 4.664 -1.761 -7.804 1.00 0.00 C ATOM 818 CD GLU A 52 3.678 -2.079 -8.930 1.00 0.00 C ATOM 819 OE1 GLU A 52 2.893 -1.207 -9.268 1.00 0.00 O ATOM 820 OE2 GLU A 52 3.723 -3.189 -9.435 1.00 0.00 O ATOM 0 H GLU A 52 6.866 -0.821 -6.410 1.00 0.00 H new ATOM 0 HA GLU A 52 6.432 -0.293 -9.121 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.692 0.054 -6.627 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.042 0.265 -8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.631 -2.218 -8.014 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.308 -2.186 -6.865 1.00 0.00 H new ATOM 827 N LEU A 53 6.187 2.480 -7.313 1.00 0.00 N ATOM 828 CA LEU A 53 6.186 3.961 -7.417 1.00 0.00 C ATOM 829 C LEU A 53 7.513 4.485 -6.867 1.00 0.00 C ATOM 830 O LEU A 53 7.990 5.538 -7.229 1.00 0.00 O ATOM 831 CB LEU A 53 5.027 4.479 -6.575 1.00 0.00 C ATOM 832 CG LEU A 53 3.810 4.746 -7.460 1.00 0.00 C ATOM 833 CD1 LEU A 53 3.645 3.616 -8.481 1.00 0.00 C ATOM 834 CD2 LEU A 53 2.571 4.805 -6.576 1.00 0.00 C ATOM 0 H LEU A 53 6.159 2.124 -6.357 1.00 0.00 H new ATOM 0 HA LEU A 53 6.073 4.292 -8.449 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.773 3.750 -5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.321 5.395 -6.062 1.00 0.00 H new ATOM 0 HG LEU A 53 3.945 5.688 -7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.775 3.815 -9.107 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.536 3.557 -9.106 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.506 2.670 -7.958 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.693 4.995 -7.193 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.450 3.855 -6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.682 5.607 -5.846 1.00 0.00 H new ATOM 846 N ASP A 54 8.116 3.713 -6.009 1.00 0.00 N ATOM 847 CA ASP A 54 9.443 4.067 -5.402 1.00 0.00 C ATOM 848 C ASP A 54 10.537 4.085 -6.464 1.00 0.00 C ATOM 849 O ASP A 54 11.710 4.204 -6.174 1.00 0.00 O ATOM 850 CB ASP A 54 9.800 3.002 -4.390 1.00 0.00 C ATOM 851 CG ASP A 54 11.089 3.391 -3.664 1.00 0.00 C ATOM 852 OD1 ASP A 54 11.258 4.567 -3.390 1.00 0.00 O ATOM 853 OD2 ASP A 54 11.885 2.506 -3.396 1.00 0.00 O ATOM 0 H ASP A 54 7.737 2.822 -5.689 1.00 0.00 H new ATOM 0 HA ASP A 54 9.369 5.053 -4.944 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.989 2.883 -3.672 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.928 2.041 -4.889 1.00 0.00 H new ATOM 858 N LYS A 55 10.141 3.951 -7.675 1.00 0.00 N ATOM 859 CA LYS A 55 11.072 3.936 -8.818 1.00 0.00 C ATOM 860 C LYS A 55 12.266 4.869 -8.565 1.00 0.00 C ATOM 861 O LYS A 55 13.330 4.421 -8.187 1.00 0.00 O ATOM 862 CB LYS A 55 10.289 4.420 -10.043 1.00 0.00 C ATOM 863 CG LYS A 55 9.176 5.404 -9.627 1.00 0.00 C ATOM 864 CD LYS A 55 8.993 6.479 -10.705 1.00 0.00 C ATOM 865 CE LYS A 55 8.579 7.805 -10.047 1.00 0.00 C ATOM 866 NZ LYS A 55 8.297 8.817 -11.104 1.00 0.00 N ATOM 0 H LYS A 55 9.161 3.846 -7.938 1.00 0.00 H new ATOM 0 HA LYS A 55 11.465 2.931 -8.969 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.967 4.906 -10.745 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.851 3.567 -10.561 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.241 4.865 -9.478 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.430 5.871 -8.676 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.921 6.612 -11.261 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.234 6.164 -11.421 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.695 7.655 -9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.373 8.161 -9.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.709 9.578 -10.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.193 9.216 -11.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.792 8.364 -11.893 1.00 0.00 H new ATOM 880 N ASN A 56 12.120 6.150 -8.766 1.00 0.00 N ATOM 881 CA ASN A 56 13.276 7.063 -8.527 1.00 0.00 C ATOM 882 C ASN A 56 12.903 8.051 -7.428 1.00 0.00 C ATOM 883 O ASN A 56 12.842 9.244 -7.645 1.00 0.00 O ATOM 884 CB ASN A 56 13.622 7.842 -9.800 1.00 0.00 C ATOM 885 CG ASN A 56 13.028 7.140 -11.022 1.00 0.00 C ATOM 886 OD1 ASN A 56 13.627 6.233 -11.565 1.00 0.00 O ATOM 887 ND2 ASN A 56 11.872 7.522 -11.482 1.00 0.00 N ATOM 0 H ASN A 56 11.261 6.601 -9.082 1.00 0.00 H new ATOM 0 HA ASN A 56 14.141 6.469 -8.233 1.00 0.00 H new ATOM 0 HB2 ASN A 56 13.235 8.858 -9.731 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.704 7.920 -9.906 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.470 7.060 -12.298 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.368 8.283 -11.027 1.00 0.00 H new ATOM 894 N GLY A 57 12.636 7.562 -6.255 1.00 0.00 N ATOM 895 CA GLY A 57 12.246 8.476 -5.147 1.00 0.00 C ATOM 896 C GLY A 57 10.822 8.957 -5.403 1.00 0.00 C ATOM 897 O GLY A 57 10.541 10.140 -5.448 1.00 0.00 O ATOM 0 H GLY A 57 12.670 6.572 -6.013 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.306 7.959 -4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.930 9.323 -5.095 1.00 0.00 H new ATOM 901 N ASP A 58 9.931 8.032 -5.580 1.00 0.00 N ATOM 902 CA ASP A 58 8.515 8.362 -5.850 1.00 0.00 C ATOM 903 C ASP A 58 7.683 7.207 -5.302 1.00 0.00 C ATOM 904 O ASP A 58 6.663 6.851 -5.845 1.00 0.00 O ATOM 905 CB ASP A 58 8.314 8.471 -7.357 1.00 0.00 C ATOM 906 CG ASP A 58 6.959 9.112 -7.661 1.00 0.00 C ATOM 907 OD1 ASP A 58 5.992 8.746 -7.011 1.00 0.00 O ATOM 908 OD2 ASP A 58 6.911 9.958 -8.538 1.00 0.00 O ATOM 0 H ASP A 58 10.133 7.033 -5.548 1.00 0.00 H new ATOM 0 HA ASP A 58 8.224 9.305 -5.387 1.00 0.00 H new ATOM 0 HB2 ASP A 58 9.114 9.067 -7.796 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.367 7.482 -7.811 1.00 0.00 H new ATOM 913 N GLY A 59 8.152 6.595 -4.242 1.00 0.00 N ATOM 914 CA GLY A 59 7.439 5.421 -3.667 1.00 0.00 C ATOM 915 C GLY A 59 6.281 5.868 -2.796 1.00 0.00 C ATOM 916 O GLY A 59 5.669 5.070 -2.114 1.00 0.00 O ATOM 0 H GLY A 59 9.004 6.863 -3.750 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.070 4.784 -4.471 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.133 4.821 -3.078 1.00 0.00 H new ATOM 920 N GLU A 60 5.950 7.119 -2.818 1.00 0.00 N ATOM 921 CA GLU A 60 4.800 7.561 -1.986 1.00 0.00 C ATOM 922 C GLU A 60 3.521 7.174 -2.722 1.00 0.00 C ATOM 923 O GLU A 60 3.209 7.710 -3.765 1.00 0.00 O ATOM 924 CB GLU A 60 4.832 9.072 -1.781 1.00 0.00 C ATOM 925 CG GLU A 60 6.280 9.568 -1.749 1.00 0.00 C ATOM 926 CD GLU A 60 6.306 11.042 -1.339 1.00 0.00 C ATOM 927 OE1 GLU A 60 5.293 11.701 -1.506 1.00 0.00 O ATOM 928 OE2 GLU A 60 7.338 11.487 -0.865 1.00 0.00 O ATOM 0 H GLU A 60 6.412 7.847 -3.363 1.00 0.00 H new ATOM 0 HA GLU A 60 4.847 7.086 -1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.287 9.567 -2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.330 9.331 -0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.864 8.974 -1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.740 9.444 -2.730 1.00 0.00 H new ATOM 935 N VAL A 61 2.793 6.225 -2.206 1.00 0.00 N ATOM 936 CA VAL A 61 1.555 5.788 -2.899 1.00 0.00 C ATOM 937 C VAL A 61 0.335 6.281 -2.140 1.00 0.00 C ATOM 938 O VAL A 61 0.009 5.802 -1.078 1.00 0.00 O ATOM 939 CB VAL A 61 1.549 4.272 -2.977 1.00 0.00 C ATOM 940 CG1 VAL A 61 0.583 3.818 -4.069 1.00 0.00 C ATOM 941 CG2 VAL A 61 2.956 3.811 -3.325 1.00 0.00 C ATOM 0 H VAL A 61 3.003 5.735 -1.336 1.00 0.00 H new ATOM 0 HA VAL A 61 1.525 6.206 -3.905 1.00 0.00 H new ATOM 0 HB VAL A 61 1.233 3.847 -2.024 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.581 2.729 -4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.421 4.172 -3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.899 4.228 -5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.978 2.723 -3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.251 4.235 -4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.649 4.144 -2.553 1.00 0.00 H new ATOM 951 N SER A 62 -0.323 7.252 -2.693 1.00 0.00 N ATOM 952 CA SER A 62 -1.533 7.840 -2.044 1.00 0.00 C ATOM 953 C SER A 62 -2.720 6.904 -2.192 1.00 0.00 C ATOM 954 O SER A 62 -2.573 5.738 -2.493 1.00 0.00 O ATOM 955 CB SER A 62 -1.850 9.185 -2.702 1.00 0.00 C ATOM 956 OG SER A 62 -2.910 9.018 -3.634 1.00 0.00 O ATOM 0 H SER A 62 -0.073 7.676 -3.586 1.00 0.00 H new ATOM 0 HA SER A 62 -1.336 7.985 -0.982 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.130 9.916 -1.944 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.965 9.573 -3.207 1.00 0.00 H new ATOM 0 HG SER A 62 -3.115 9.879 -4.054 1.00 0.00 H new ATOM 962 N PHE A 63 -3.898 7.410 -1.985 1.00 0.00 N ATOM 963 CA PHE A 63 -5.100 6.554 -2.111 1.00 0.00 C ATOM 964 C PHE A 63 -5.373 6.304 -3.592 1.00 0.00 C ATOM 965 O PHE A 63 -5.082 5.265 -4.091 1.00 0.00 O ATOM 966 CB PHE A 63 -6.302 7.265 -1.505 1.00 0.00 C ATOM 967 CG PHE A 63 -7.372 6.233 -1.423 1.00 0.00 C ATOM 968 CD1 PHE A 63 -7.162 5.123 -0.616 1.00 0.00 C ATOM 969 CD2 PHE A 63 -8.525 6.344 -2.191 1.00 0.00 C ATOM 970 CE1 PHE A 63 -8.106 4.112 -0.559 1.00 0.00 C ATOM 971 CE2 PHE A 63 -9.478 5.331 -2.151 1.00 0.00 C ATOM 972 CZ PHE A 63 -9.275 4.203 -1.330 1.00 0.00 C ATOM 0 H PHE A 63 -4.080 8.382 -1.733 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.932 5.611 -1.590 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.066 7.665 -0.519 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.614 8.106 -2.124 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.258 5.048 -0.030 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.680 7.212 -2.815 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.943 3.255 0.078 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.374 5.409 -2.749 1.00 0.00 H new ATOM 0 HZ PHE A 63 -10.013 3.415 -1.295 1.00 0.00 H new ATOM 982 N GLU A 64 -5.905 7.252 -4.296 1.00 0.00 N ATOM 983 CA GLU A 64 -6.223 7.044 -5.761 1.00 0.00 C ATOM 984 C GLU A 64 -5.166 6.171 -6.462 1.00 0.00 C ATOM 985 O GLU A 64 -5.478 5.467 -7.402 1.00 0.00 O ATOM 986 CB GLU A 64 -6.318 8.411 -6.430 1.00 0.00 C ATOM 987 CG GLU A 64 -7.491 9.174 -5.809 1.00 0.00 C ATOM 988 CD GLU A 64 -7.659 10.521 -6.514 1.00 0.00 C ATOM 989 OE1 GLU A 64 -6.699 10.977 -7.114 1.00 0.00 O ATOM 990 OE2 GLU A 64 -8.743 11.074 -6.442 1.00 0.00 O ATOM 0 H GLU A 64 -6.142 8.175 -3.933 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.171 6.513 -5.845 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.390 8.966 -6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.466 8.298 -7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.406 8.589 -5.898 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.314 9.329 -4.745 1.00 0.00 H new ATOM 997 N GLU A 65 -3.943 6.164 -6.011 1.00 0.00 N ATOM 998 CA GLU A 65 -2.929 5.277 -6.662 1.00 0.00 C ATOM 999 C GLU A 65 -3.094 3.868 -6.078 1.00 0.00 C ATOM 1000 O GLU A 65 -3.331 2.906 -6.780 1.00 0.00 O ATOM 1001 CB GLU A 65 -1.520 5.798 -6.365 1.00 0.00 C ATOM 1002 CG GLU A 65 -0.649 5.659 -7.614 1.00 0.00 C ATOM 1003 CD GLU A 65 -0.938 6.819 -8.569 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -0.536 7.928 -8.261 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -1.557 6.578 -9.593 1.00 0.00 O ATOM 0 H GLU A 65 -3.601 6.725 -5.231 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.073 5.261 -7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.565 6.842 -6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.081 5.239 -5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.405 5.656 -7.337 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.851 4.708 -8.108 1.00 0.00 H new ATOM 1012 N PHE A 66 -2.996 3.769 -4.783 1.00 0.00 N ATOM 1013 CA PHE A 66 -3.170 2.470 -4.069 1.00 0.00 C ATOM 1014 C PHE A 66 -4.636 2.023 -4.136 1.00 0.00 C ATOM 1015 O PHE A 66 -4.966 0.879 -4.101 1.00 0.00 O ATOM 1016 CB PHE A 66 -2.845 2.730 -2.581 1.00 0.00 C ATOM 1017 CG PHE A 66 -3.721 1.802 -1.813 1.00 0.00 C ATOM 1018 CD1 PHE A 66 -5.060 2.159 -1.655 1.00 0.00 C ATOM 1019 CD2 PHE A 66 -3.277 0.540 -1.461 1.00 0.00 C ATOM 1020 CE1 PHE A 66 -5.955 1.274 -1.143 1.00 0.00 C ATOM 1021 CE2 PHE A 66 -4.187 -0.373 -0.963 1.00 0.00 C ATOM 1022 CZ PHE A 66 -5.523 0.003 -0.811 1.00 0.00 C ATOM 0 H PHE A 66 -2.796 4.559 -4.169 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.530 1.710 -4.518 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.793 2.540 -2.370 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.042 3.768 -2.312 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.388 3.147 -1.942 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.237 0.273 -1.574 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.987 1.559 -0.998 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.867 -1.369 -0.694 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.234 -0.713 -0.426 1.00 0.00 H new ATOM 1032 N GLN A 67 -5.520 2.911 -4.041 1.00 0.00 N ATOM 1033 CA GLN A 67 -6.912 2.502 -3.926 1.00 0.00 C ATOM 1034 C GLN A 67 -7.278 1.666 -5.148 1.00 0.00 C ATOM 1035 O GLN A 67 -8.194 0.869 -5.108 1.00 0.00 O ATOM 1036 CB GLN A 67 -7.760 3.745 -3.639 1.00 0.00 C ATOM 1037 CG GLN A 67 -7.661 4.741 -4.771 1.00 0.00 C ATOM 1038 CD GLN A 67 -8.429 4.215 -5.938 1.00 0.00 C ATOM 1039 OE1 GLN A 67 -8.349 4.741 -7.031 1.00 0.00 O ATOM 1040 NE2 GLN A 67 -9.177 3.188 -5.766 1.00 0.00 N ATOM 0 H GLN A 67 -5.351 3.917 -4.037 1.00 0.00 H new ATOM 0 HA GLN A 67 -7.110 1.840 -3.083 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.801 3.454 -3.495 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.428 4.210 -2.711 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.059 5.707 -4.461 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.618 4.899 -5.045 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.240 2.751 -4.846 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.709 2.808 -6.549 1.00 0.00 H new ATOM 1049 N VAL A 68 -6.499 1.737 -6.194 1.00 0.00 N ATOM 1050 CA VAL A 68 -6.753 0.820 -7.335 1.00 0.00 C ATOM 1051 C VAL A 68 -6.046 -0.471 -6.939 1.00 0.00 C ATOM 1052 O VAL A 68 -6.473 -1.567 -7.229 1.00 0.00 O ATOM 1053 CB VAL A 68 -6.201 1.386 -8.650 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.687 1.589 -8.551 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -6.510 0.411 -9.788 1.00 0.00 C ATOM 0 H VAL A 68 -5.713 2.378 -6.305 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.817 0.671 -7.518 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.672 2.349 -8.846 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.311 1.991 -9.492 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.466 2.287 -7.744 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.204 0.633 -8.346 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.119 0.809 -10.724 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.042 -0.551 -9.580 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.589 0.279 -9.872 1.00 0.00 H new ATOM 1065 N LEU A 69 -4.998 -0.296 -6.188 1.00 0.00 N ATOM 1066 CA LEU A 69 -4.224 -1.420 -5.603 1.00 0.00 C ATOM 1067 C LEU A 69 -5.200 -2.401 -4.962 1.00 0.00 C ATOM 1068 O LEU A 69 -5.222 -3.580 -5.253 1.00 0.00 O ATOM 1069 CB LEU A 69 -3.347 -0.827 -4.503 1.00 0.00 C ATOM 1070 CG LEU A 69 -2.461 -1.878 -3.968 1.00 0.00 C ATOM 1071 CD1 LEU A 69 -1.787 -2.661 -5.097 1.00 0.00 C ATOM 1072 CD2 LEU A 69 -1.405 -1.268 -3.046 1.00 0.00 C ATOM 0 H LEU A 69 -4.631 0.625 -5.946 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.629 -1.929 -6.361 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.754 -0.002 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.969 -0.419 -3.706 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.074 -2.572 -3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.140 -3.429 -4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.549 -3.132 -5.718 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.191 -1.981 -5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.760 -2.057 -2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.805 -0.550 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.896 -0.762 -2.215 1.00 0.00 H new ATOM 1084 N VAL A 70 -5.998 -1.891 -4.078 1.00 0.00 N ATOM 1085 CA VAL A 70 -7.001 -2.725 -3.359 1.00 0.00 C ATOM 1086 C VAL A 70 -7.878 -3.486 -4.362 1.00 0.00 C ATOM 1087 O VAL A 70 -8.323 -4.585 -4.096 1.00 0.00 O ATOM 1088 CB VAL A 70 -7.870 -1.804 -2.493 1.00 0.00 C ATOM 1089 CG1 VAL A 70 -8.837 -1.015 -3.374 1.00 0.00 C ATOM 1090 CG2 VAL A 70 -8.665 -2.638 -1.492 1.00 0.00 C ATOM 0 H VAL A 70 -6.001 -0.906 -3.813 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.491 -3.455 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.223 -1.109 -1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.449 -0.364 -2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.272 -0.411 -4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.480 -1.707 -3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.281 -1.980 -0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.305 -3.338 -2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.978 -3.192 -0.853 1.00 0.00 H new ATOM 1100 N LYS A 71 -8.123 -2.920 -5.513 1.00 0.00 N ATOM 1101 CA LYS A 71 -8.963 -3.623 -6.527 1.00 0.00 C ATOM 1102 C LYS A 71 -8.110 -4.675 -7.236 1.00 0.00 C ATOM 1103 O LYS A 71 -8.603 -5.691 -7.685 1.00 0.00 O ATOM 1104 CB LYS A 71 -9.483 -2.613 -7.553 1.00 0.00 C ATOM 1105 CG LYS A 71 -10.071 -3.355 -8.755 1.00 0.00 C ATOM 1106 CD LYS A 71 -11.159 -2.496 -9.405 1.00 0.00 C ATOM 1107 CE LYS A 71 -10.529 -1.239 -10.013 1.00 0.00 C ATOM 1108 NZ LYS A 71 -11.436 -0.682 -11.059 1.00 0.00 N ATOM 0 H LYS A 71 -7.779 -2.002 -5.795 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.809 -4.102 -6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.243 -1.977 -7.099 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.673 -1.960 -7.877 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.286 -3.575 -9.479 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.489 -4.310 -8.437 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.673 -3.067 -10.178 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.907 -2.217 -8.663 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.353 -0.495 -9.236 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.559 -1.480 -10.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.008 0.171 -11.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.582 -1.391 -11.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.351 -0.437 -10.630 1.00 0.00 H new ATOM 1122 N LYS A 72 -6.831 -4.437 -7.332 1.00 0.00 N ATOM 1123 CA LYS A 72 -5.935 -5.415 -7.999 1.00 0.00 C ATOM 1124 C LYS A 72 -5.677 -6.573 -7.035 1.00 0.00 C ATOM 1125 O LYS A 72 -5.249 -7.640 -7.425 1.00 0.00 O ATOM 1126 CB LYS A 72 -4.614 -4.724 -8.359 1.00 0.00 C ATOM 1127 CG LYS A 72 -3.520 -5.769 -8.603 1.00 0.00 C ATOM 1128 CD LYS A 72 -3.982 -6.756 -9.677 1.00 0.00 C ATOM 1129 CE LYS A 72 -3.208 -8.067 -9.529 1.00 0.00 C ATOM 1130 NZ LYS A 72 -1.761 -7.830 -9.807 1.00 0.00 N ATOM 0 H LYS A 72 -6.368 -3.601 -6.974 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.395 -5.795 -8.911 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.747 -4.111 -9.250 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.314 -4.054 -7.553 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.599 -5.279 -8.918 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.298 -6.301 -7.678 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.052 -6.940 -9.581 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.818 -6.334 -10.669 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.335 -8.464 -8.522 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.603 -8.814 -10.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.263 -8.742 -9.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.659 -7.330 -10.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.351 -7.252 -9.045 1.00 0.00 H new ATOM 1144 N ILE A 73 -5.934 -6.363 -5.772 1.00 0.00 N ATOM 1145 CA ILE A 73 -5.705 -7.433 -4.774 1.00 0.00 C ATOM 1146 C ILE A 73 -6.861 -8.431 -4.796 1.00 0.00 C ATOM 1147 O ILE A 73 -6.926 -9.346 -4.000 1.00 0.00 O ATOM 1148 CB ILE A 73 -5.606 -6.797 -3.394 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -4.342 -5.938 -3.312 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -5.558 -7.891 -2.329 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -4.443 -5.003 -2.106 1.00 0.00 C ATOM 0 H ILE A 73 -6.295 -5.488 -5.392 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.783 -7.963 -5.011 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.478 -6.166 -3.223 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.462 -6.574 -3.221 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.223 -5.358 -4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.487 -7.435 -1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.464 -8.494 -2.386 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.688 -8.526 -2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.544 -4.390 -2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.315 -4.359 -2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.542 -5.593 -1.195 1.00 0.00 H new ATOM 1163 N SER A 74 -7.771 -8.253 -5.700 1.00 0.00 N ATOM 1164 CA SER A 74 -8.935 -9.170 -5.794 1.00 0.00 C ATOM 1165 C SER A 74 -9.078 -9.665 -7.235 1.00 0.00 C ATOM 1166 O SER A 74 -9.913 -9.196 -7.983 1.00 0.00 O ATOM 1167 CB SER A 74 -10.191 -8.408 -5.388 1.00 0.00 C ATOM 1168 OG SER A 74 -10.296 -7.226 -6.170 1.00 0.00 O ATOM 0 H SER A 74 -7.760 -7.501 -6.389 1.00 0.00 H new ATOM 0 HA SER A 74 -8.791 -10.026 -5.134 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.072 -9.033 -5.533 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.150 -8.155 -4.329 1.00 0.00 H new ATOM 0 HG SER A 74 -10.313 -7.463 -7.121 1.00 0.00 H new ATOM 1174 N GLN A 75 -8.267 -10.607 -7.631 1.00 0.00 N ATOM 1175 CA GLN A 75 -8.355 -11.130 -9.024 1.00 0.00 C ATOM 1176 C GLN A 75 -9.549 -12.079 -9.142 1.00 0.00 C ATOM 1177 O GLN A 75 -10.097 -12.529 -8.156 1.00 0.00 O ATOM 1178 CB GLN A 75 -7.069 -11.884 -9.369 1.00 0.00 C ATOM 1179 CG GLN A 75 -5.860 -10.995 -9.068 1.00 0.00 C ATOM 1180 CD GLN A 75 -4.705 -11.362 -10.000 1.00 0.00 C ATOM 1181 OE1 GLN A 75 -4.800 -11.194 -11.201 1.00 0.00 O ATOM 1182 NE2 GLN A 75 -3.608 -11.856 -9.495 1.00 0.00 N ATOM 1183 OXT GLN A 75 -9.958 -12.384 -10.343 1.00 0.00 O ATOM 0 H GLN A 75 -7.547 -11.037 -7.050 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.485 -10.297 -9.715 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.009 -12.806 -8.791 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.072 -12.168 -10.421 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -6.126 -9.946 -9.199 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -5.555 -11.119 -8.029 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.528 -11.997 -8.488 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.830 -12.101 -10.107 1.00 0.00 H new TER 1192 GLN A 75