USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 619 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 49 TYR OH : rot 151:sc= 0.292 USER MOD Set 1.2: A 64 ASN : amide:sc= 0.0748 X(o=0.37,f=0.42) USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc=-0.00255 USER MOD Set 2.2: A 63 TYR OH : rot 180:sc= 0.219 USER MOD Set 3.1: A 4 SER OG : rot 32:sc= -0.484 USER MOD Set 3.2: A 22 LYS NZ :NH3+ 171:sc= -0.0249 (180deg=-0.14) USER MOD Single : A 8 LYS NZ :NH3+ -130:sc= -0.233 (180deg=-1.42) USER MOD Single : A 11 THR OG1 : rot -10:sc= -0.623 USER MOD Single : A 12 THR OG1 : rot 72:sc= 0.154 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 31 MET CE :methyl -150:sc= -0.184 (180deg=-2.31) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= 0.835 (180deg=0.799) USER MOD Single : A 37 GLN : amide:sc= -1.29 K(o=-1.3,f=-3.1!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.644 K(o=-0.64,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.38) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.406 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00803 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.545 USER MOD Single : A 74 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0316) USER MOD Single : A 75 THR OG1 : rot 39:sc= 0.15 USER MOD ----------------------------------------------------------------- ATOM 28 N SER A 4 -3.103 -3.500 -1.916 1.00 0.00 N ATOM 29 CA SER A 4 -3.958 -2.318 -1.853 1.00 0.00 C ATOM 30 C SER A 4 -3.439 -1.232 -2.823 1.00 0.00 C ATOM 31 O SER A 4 -2.280 -0.807 -2.734 1.00 0.00 O ATOM 32 CB SER A 4 -3.958 -1.789 -0.408 1.00 0.00 C ATOM 33 OG SER A 4 -4.243 -2.820 0.527 1.00 0.00 O ATOM 0 HA SER A 4 -4.974 -2.579 -2.149 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.987 -1.350 -0.181 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.698 -0.994 -0.311 1.00 0.00 H new ATOM 0 HG SER A 4 -3.893 -3.672 0.191 1.00 0.00 H new ATOM 39 N LEU A 5 -4.312 -0.813 -3.745 1.00 0.00 N ATOM 40 CA LEU A 5 -4.040 0.233 -4.749 1.00 0.00 C ATOM 41 C LEU A 5 -4.715 1.563 -4.355 1.00 0.00 C ATOM 42 O LEU A 5 -5.796 1.566 -3.757 1.00 0.00 O ATOM 43 CB LEU A 5 -4.504 -0.277 -6.153 1.00 0.00 C ATOM 44 CG LEU A 5 -5.900 -1.014 -6.240 1.00 0.00 C ATOM 45 CD1 LEU A 5 -7.108 -0.044 -6.225 1.00 0.00 C ATOM 46 CD2 LEU A 5 -5.950 -1.940 -7.468 1.00 0.00 C ATOM 0 H LEU A 5 -5.253 -1.199 -3.820 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.970 0.435 -4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.533 0.578 -6.828 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.741 -0.957 -6.532 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.987 -1.618 -5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.034 -0.615 -6.287 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.099 0.534 -5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.041 0.633 -7.077 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.919 -2.438 -7.509 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.806 -1.351 -8.374 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.161 -2.688 -7.392 1.00 0.00 H new ATOM 58 N GLU A 6 -4.071 2.692 -4.688 1.00 0.00 N ATOM 59 CA GLU A 6 -4.591 4.033 -4.358 1.00 0.00 C ATOM 60 C GLU A 6 -5.283 4.651 -5.580 1.00 0.00 C ATOM 61 O GLU A 6 -4.677 4.758 -6.648 1.00 0.00 O ATOM 62 CB GLU A 6 -3.457 4.961 -3.854 1.00 0.00 C ATOM 63 CG GLU A 6 -3.927 6.387 -3.486 1.00 0.00 C ATOM 64 CD GLU A 6 -2.777 7.282 -3.015 1.00 0.00 C ATOM 65 OE1 GLU A 6 -2.581 7.436 -1.792 1.00 0.00 O ATOM 66 OE2 GLU A 6 -2.046 7.818 -3.870 1.00 0.00 O ATOM 0 H GLU A 6 -3.183 2.705 -5.189 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.322 3.926 -3.556 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.991 4.506 -2.980 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.689 5.030 -4.624 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.406 6.843 -4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.680 6.326 -2.701 1.00 0.00 H new ATOM 73 N ILE A 7 -6.549 5.051 -5.411 1.00 0.00 N ATOM 74 CA ILE A 7 -7.374 5.673 -6.469 1.00 0.00 C ATOM 75 C ILE A 7 -7.936 7.019 -5.987 1.00 0.00 C ATOM 76 O ILE A 7 -7.795 7.383 -4.810 1.00 0.00 O ATOM 77 CB ILE A 7 -8.569 4.730 -6.878 1.00 0.00 C ATOM 78 CG1 ILE A 7 -9.499 4.450 -5.640 1.00 0.00 C ATOM 79 CG2 ILE A 7 -8.038 3.405 -7.491 1.00 0.00 C ATOM 80 CD1 ILE A 7 -10.743 3.642 -5.939 1.00 0.00 C ATOM 0 H ILE A 7 -7.042 4.953 -4.524 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.735 5.834 -7.337 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.163 5.235 -7.639 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.918 3.926 -4.881 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.800 5.405 -5.209 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.879 2.769 -7.766 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.445 3.627 -8.378 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.417 2.889 -6.759 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.316 3.504 -5.022 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.353 4.171 -6.672 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.457 2.669 -6.339 1.00 0.00 H new ATOM 92 N LYS A 8 -8.588 7.749 -6.910 1.00 0.00 N ATOM 93 CA LYS A 8 -9.302 8.998 -6.590 1.00 0.00 C ATOM 94 C LYS A 8 -10.797 8.840 -6.879 1.00 0.00 C ATOM 95 O LYS A 8 -11.177 8.064 -7.756 1.00 0.00 O ATOM 96 CB LYS A 8 -8.735 10.206 -7.389 1.00 0.00 C ATOM 97 CG LYS A 8 -7.231 10.526 -7.123 1.00 0.00 C ATOM 98 CD LYS A 8 -6.278 9.853 -8.134 1.00 0.00 C ATOM 99 CE LYS A 8 -6.452 10.409 -9.556 1.00 0.00 C ATOM 100 NZ LYS A 8 -5.620 9.691 -10.542 1.00 0.00 N ATOM 0 H LYS A 8 -8.635 7.491 -7.896 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.155 9.199 -5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.867 10.012 -8.453 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -9.327 11.090 -7.150 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.084 11.605 -7.158 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.970 10.201 -6.116 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.247 10.000 -7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.459 8.778 -8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.500 10.337 -9.847 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.191 11.467 -9.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.085 10.378 -11.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.957 9.063 -10.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.231 9.126 -11.166 1.00 0.00 H new ATOM 114 N ILE A 9 -11.644 9.539 -6.097 1.00 0.00 N ATOM 115 CA ILE A 9 -13.097 9.624 -6.346 1.00 0.00 C ATOM 116 C ILE A 9 -13.498 11.112 -6.326 1.00 0.00 C ATOM 117 O ILE A 9 -13.546 11.728 -5.257 1.00 0.00 O ATOM 118 CB ILE A 9 -13.996 8.834 -5.289 1.00 0.00 C ATOM 119 CG1 ILE A 9 -13.665 7.290 -5.212 1.00 0.00 C ATOM 120 CG2 ILE A 9 -15.509 9.033 -5.601 1.00 0.00 C ATOM 121 CD1 ILE A 9 -12.421 6.920 -4.414 1.00 0.00 C ATOM 0 H ILE A 9 -11.340 10.061 -5.275 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.281 9.151 -7.311 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.757 9.258 -4.314 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.521 6.775 -4.775 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.549 6.911 -6.227 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.106 8.487 -4.870 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.754 10.094 -5.551 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.727 8.657 -6.601 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.289 5.838 -4.427 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.548 7.397 -4.859 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.535 7.259 -3.384 1.00 0.00 H new ATOM 133 N ARG A 10 -13.728 11.694 -7.510 1.00 0.00 N ATOM 134 CA ARG A 10 -14.244 13.064 -7.637 1.00 0.00 C ATOM 135 C ARG A 10 -15.755 13.080 -7.319 1.00 0.00 C ATOM 136 O ARG A 10 -16.511 12.269 -7.857 1.00 0.00 O ATOM 137 CB ARG A 10 -13.991 13.618 -9.063 1.00 0.00 C ATOM 138 CG ARG A 10 -14.338 15.118 -9.222 1.00 0.00 C ATOM 139 CD ARG A 10 -14.181 15.630 -10.664 1.00 0.00 C ATOM 140 NE ARG A 10 -14.399 17.089 -10.746 1.00 0.00 N ATOM 141 CZ ARG A 10 -15.490 17.694 -11.243 1.00 0.00 C ATOM 142 NH1 ARG A 10 -16.499 16.987 -11.731 1.00 0.00 N ATOM 143 NH2 ARG A 10 -15.557 19.012 -11.246 1.00 0.00 N ATOM 0 H ARG A 10 -13.563 11.231 -8.404 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.719 13.703 -6.927 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.942 13.468 -9.320 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.580 13.041 -9.776 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.365 15.283 -8.895 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.696 15.704 -8.564 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.183 15.389 -11.030 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.891 15.118 -11.313 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.654 17.690 -10.394 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -16.454 15.968 -11.733 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -17.321 17.462 -12.105 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.784 19.563 -10.873 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.382 19.480 -11.622 1.00 0.00 H new ATOM 157 N THR A 11 -16.174 14.007 -6.452 1.00 0.00 N ATOM 158 CA THR A 11 -17.567 14.113 -5.984 1.00 0.00 C ATOM 159 C THR A 11 -18.408 15.054 -6.878 1.00 0.00 C ATOM 160 O THR A 11 -17.882 15.680 -7.811 1.00 0.00 O ATOM 161 CB THR A 11 -17.578 14.651 -4.520 1.00 0.00 C ATOM 162 OG1 THR A 11 -17.042 15.979 -4.488 1.00 0.00 O ATOM 163 CG2 THR A 11 -16.752 13.768 -3.579 1.00 0.00 C ATOM 0 H THR A 11 -15.555 14.711 -6.050 1.00 0.00 H new ATOM 0 HA THR A 11 -18.012 13.119 -6.032 1.00 0.00 H new ATOM 0 HB THR A 11 -18.614 14.644 -4.180 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.642 16.191 -5.357 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.787 14.179 -2.570 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.162 12.758 -3.574 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.718 13.738 -3.923 1.00 0.00 H new ATOM 171 N THR A 12 -19.716 15.161 -6.558 1.00 0.00 N ATOM 172 CA THR A 12 -20.621 16.177 -7.143 1.00 0.00 C ATOM 173 C THR A 12 -20.253 17.595 -6.677 1.00 0.00 C ATOM 174 O THR A 12 -20.606 18.582 -7.333 1.00 0.00 O ATOM 175 CB THR A 12 -22.106 15.873 -6.761 1.00 0.00 C ATOM 176 OG1 THR A 12 -22.185 15.526 -5.367 1.00 0.00 O ATOM 177 CG2 THR A 12 -22.693 14.743 -7.612 1.00 0.00 C ATOM 0 H THR A 12 -20.175 14.546 -5.887 1.00 0.00 H new ATOM 0 HA THR A 12 -20.507 16.129 -8.226 1.00 0.00 H new ATOM 0 HB THR A 12 -22.692 16.771 -6.954 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.038 16.327 -4.822 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.726 14.563 -7.315 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.662 15.026 -8.664 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.109 13.835 -7.463 1.00 0.00 H new ATOM 185 N GLU A 13 -19.540 17.669 -5.536 1.00 0.00 N ATOM 186 CA GLU A 13 -19.044 18.932 -4.964 1.00 0.00 C ATOM 187 C GLU A 13 -17.945 19.531 -5.867 1.00 0.00 C ATOM 188 O GLU A 13 -17.658 20.724 -5.792 1.00 0.00 O ATOM 189 CB GLU A 13 -18.491 18.693 -3.520 1.00 0.00 C ATOM 190 CG GLU A 13 -19.391 17.820 -2.609 1.00 0.00 C ATOM 191 CD GLU A 13 -20.842 18.329 -2.500 1.00 0.00 C ATOM 192 OE1 GLU A 13 -21.099 19.253 -1.701 1.00 0.00 O ATOM 193 OE2 GLU A 13 -21.727 17.813 -3.223 1.00 0.00 O ATOM 0 H GLU A 13 -19.292 16.848 -4.984 1.00 0.00 H new ATOM 0 HA GLU A 13 -19.872 19.639 -4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.511 18.222 -3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -18.343 19.660 -3.039 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -19.401 16.800 -2.993 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -18.953 17.780 -1.612 1.00 0.00 H new ATOM 200 N GLY A 14 -17.332 18.673 -6.712 1.00 0.00 N ATOM 201 CA GLY A 14 -16.275 19.080 -7.640 1.00 0.00 C ATOM 202 C GLY A 14 -14.895 18.723 -7.122 1.00 0.00 C ATOM 203 O GLY A 14 -13.945 18.648 -7.906 1.00 0.00 O ATOM 0 H GLY A 14 -17.562 17.681 -6.763 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.435 18.600 -8.605 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -16.333 20.156 -7.806 1.00 0.00 H new ATOM 207 N ARG A 15 -14.790 18.494 -5.796 1.00 0.00 N ATOM 208 CA ARG A 15 -13.520 18.135 -5.129 1.00 0.00 C ATOM 209 C ARG A 15 -13.117 16.695 -5.493 1.00 0.00 C ATOM 210 O ARG A 15 -13.958 15.905 -5.928 1.00 0.00 O ATOM 211 CB ARG A 15 -13.649 18.272 -3.589 1.00 0.00 C ATOM 212 CG ARG A 15 -14.561 17.214 -2.912 1.00 0.00 C ATOM 213 CD ARG A 15 -14.528 17.285 -1.381 1.00 0.00 C ATOM 214 NE ARG A 15 -13.155 17.149 -0.855 1.00 0.00 N ATOM 215 CZ ARG A 15 -12.820 16.718 0.375 1.00 0.00 C ATOM 216 NH1 ARG A 15 -13.753 16.353 1.247 1.00 0.00 N ATOM 217 NH2 ARG A 15 -11.541 16.640 0.711 1.00 0.00 N ATOM 0 H ARG A 15 -15.583 18.553 -5.157 1.00 0.00 H new ATOM 0 HA ARG A 15 -12.748 18.822 -5.475 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -12.654 18.208 -3.149 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -14.036 19.265 -3.358 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.586 17.354 -3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -14.252 16.219 -3.231 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -14.951 18.234 -1.052 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -15.156 16.496 -0.967 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.391 17.405 -1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -14.739 16.397 0.988 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.484 16.028 2.176 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.820 16.905 0.040 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.277 16.315 1.641 1.00 0.00 H new ATOM 231 N THR A 16 -11.840 16.360 -5.296 1.00 0.00 N ATOM 232 CA THR A 16 -11.310 15.017 -5.570 1.00 0.00 C ATOM 233 C THR A 16 -10.759 14.394 -4.270 1.00 0.00 C ATOM 234 O THR A 16 -9.922 14.995 -3.582 1.00 0.00 O ATOM 235 CB THR A 16 -10.201 15.079 -6.667 1.00 0.00 C ATOM 236 OG1 THR A 16 -10.714 15.766 -7.819 1.00 0.00 O ATOM 237 CG2 THR A 16 -9.732 13.680 -7.096 1.00 0.00 C ATOM 0 H THR A 16 -11.140 17.012 -4.941 1.00 0.00 H new ATOM 0 HA THR A 16 -12.118 14.388 -5.943 1.00 0.00 H new ATOM 0 HB THR A 16 -9.347 15.607 -6.243 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.020 15.809 -8.510 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.961 13.773 -7.860 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.326 13.152 -6.233 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.576 13.121 -7.499 1.00 0.00 H new ATOM 245 N LEU A 17 -11.265 13.195 -3.945 1.00 0.00 N ATOM 246 CA LEU A 17 -10.859 12.413 -2.765 1.00 0.00 C ATOM 247 C LEU A 17 -9.743 11.467 -3.200 1.00 0.00 C ATOM 248 O LEU A 17 -9.689 11.103 -4.369 1.00 0.00 O ATOM 249 CB LEU A 17 -12.080 11.604 -2.234 1.00 0.00 C ATOM 250 CG LEU A 17 -13.409 12.416 -2.068 1.00 0.00 C ATOM 251 CD1 LEU A 17 -14.593 11.502 -1.697 1.00 0.00 C ATOM 252 CD2 LEU A 17 -13.248 13.568 -1.056 1.00 0.00 C ATOM 0 H LEU A 17 -11.981 12.732 -4.505 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.507 13.065 -1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.266 10.773 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.815 11.173 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.635 12.862 -3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -15.497 12.102 -1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.740 10.761 -2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.381 10.996 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -14.190 14.109 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.970 13.162 -0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.470 14.249 -1.401 1.00 0.00 H new ATOM 264 N THR A 18 -8.861 11.067 -2.282 1.00 0.00 N ATOM 265 CA THR A 18 -7.753 10.146 -2.600 1.00 0.00 C ATOM 266 C THR A 18 -7.679 9.062 -1.510 1.00 0.00 C ATOM 267 O THR A 18 -7.225 9.338 -0.392 1.00 0.00 O ATOM 268 CB THR A 18 -6.389 10.921 -2.703 1.00 0.00 C ATOM 269 OG1 THR A 18 -6.564 12.101 -3.495 1.00 0.00 O ATOM 270 CG2 THR A 18 -5.271 10.060 -3.331 1.00 0.00 C ATOM 0 H THR A 18 -8.888 11.364 -1.307 1.00 0.00 H new ATOM 0 HA THR A 18 -7.939 9.680 -3.568 1.00 0.00 H new ATOM 0 HB THR A 18 -6.087 11.178 -1.688 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.713 12.583 -3.556 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.349 10.640 -3.380 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.109 9.172 -2.720 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.565 9.760 -4.337 1.00 0.00 H new ATOM 278 N VAL A 19 -8.178 7.849 -1.819 1.00 0.00 N ATOM 279 CA VAL A 19 -8.234 6.726 -0.854 1.00 0.00 C ATOM 280 C VAL A 19 -7.393 5.542 -1.361 1.00 0.00 C ATOM 281 O VAL A 19 -7.247 5.349 -2.574 1.00 0.00 O ATOM 282 CB VAL A 19 -9.725 6.248 -0.587 1.00 0.00 C ATOM 283 CG1 VAL A 19 -10.619 7.426 -0.115 1.00 0.00 C ATOM 284 CG2 VAL A 19 -10.348 5.538 -1.823 1.00 0.00 C ATOM 0 H VAL A 19 -8.553 7.618 -2.739 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.823 7.089 0.088 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.679 5.512 0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.633 7.066 0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.217 7.840 0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.636 8.200 -0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.367 5.230 -1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.361 6.225 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.753 4.661 -2.077 1.00 0.00 H new ATOM 294 N ASP A 20 -6.829 4.767 -0.429 1.00 0.00 N ATOM 295 CA ASP A 20 -6.167 3.489 -0.745 1.00 0.00 C ATOM 296 C ASP A 20 -7.103 2.339 -0.327 1.00 0.00 C ATOM 297 O ASP A 20 -7.633 2.335 0.785 1.00 0.00 O ATOM 298 CB ASP A 20 -4.773 3.384 -0.065 1.00 0.00 C ATOM 299 CG ASP A 20 -4.805 3.318 1.474 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.461 2.258 2.049 1.00 0.00 O ATOM 301 OD2 ASP A 20 -5.185 4.327 2.115 1.00 0.00 O ATOM 0 H ASP A 20 -6.816 5.003 0.563 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.981 3.427 -1.817 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.267 2.495 -0.442 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.173 4.243 -0.365 1.00 0.00 H new ATOM 306 N VAL A 21 -7.326 1.398 -1.249 1.00 0.00 N ATOM 307 CA VAL A 21 -8.295 0.285 -1.118 1.00 0.00 C ATOM 308 C VAL A 21 -7.744 -0.952 -1.839 1.00 0.00 C ATOM 309 O VAL A 21 -6.841 -0.835 -2.663 1.00 0.00 O ATOM 310 CB VAL A 21 -9.702 0.654 -1.741 1.00 0.00 C ATOM 311 CG1 VAL A 21 -10.464 1.704 -0.889 1.00 0.00 C ATOM 312 CG2 VAL A 21 -9.536 1.136 -3.213 1.00 0.00 C ATOM 0 H VAL A 21 -6.826 1.382 -2.138 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.433 0.086 -0.055 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.309 -0.251 -1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.423 1.925 -1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.631 1.308 0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.873 2.618 -0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.513 1.386 -3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.896 2.018 -3.237 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.083 0.342 -3.807 1.00 0.00 H new ATOM 322 N LYS A 22 -8.307 -2.125 -1.548 1.00 0.00 N ATOM 323 CA LYS A 22 -7.853 -3.396 -2.143 1.00 0.00 C ATOM 324 C LYS A 22 -8.700 -3.733 -3.397 1.00 0.00 C ATOM 325 O LYS A 22 -9.900 -3.462 -3.394 1.00 0.00 O ATOM 326 CB LYS A 22 -7.943 -4.515 -1.078 1.00 0.00 C ATOM 327 CG LYS A 22 -7.208 -4.187 0.245 1.00 0.00 C ATOM 328 CD LYS A 22 -7.297 -5.314 1.296 1.00 0.00 C ATOM 329 CE LYS A 22 -6.622 -6.619 0.831 1.00 0.00 C ATOM 330 NZ LYS A 22 -5.191 -6.419 0.479 1.00 0.00 N ATOM 0 H LYS A 22 -9.086 -2.228 -0.898 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.815 -3.306 -2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.993 -4.711 -0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.528 -5.433 -1.494 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.159 -3.986 0.028 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.627 -3.274 0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.830 -4.979 2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.345 -5.513 1.521 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.699 -7.367 1.620 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.155 -7.013 -0.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.740 -7.343 0.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.123 -5.847 -0.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.707 -5.927 1.258 1.00 0.00 H new ATOM 344 N PRO A 23 -8.093 -4.325 -4.484 1.00 0.00 N ATOM 345 CA PRO A 23 -8.825 -4.687 -5.737 1.00 0.00 C ATOM 346 C PRO A 23 -9.913 -5.766 -5.505 1.00 0.00 C ATOM 347 O PRO A 23 -10.918 -5.817 -6.215 1.00 0.00 O ATOM 348 CB PRO A 23 -7.693 -5.206 -6.675 1.00 0.00 C ATOM 349 CG PRO A 23 -6.607 -5.650 -5.737 1.00 0.00 C ATOM 350 CD PRO A 23 -6.653 -4.682 -4.580 1.00 0.00 C ATOM 0 HA PRO A 23 -9.376 -3.842 -6.151 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.040 -6.029 -7.299 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.343 -4.422 -7.347 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.774 -6.673 -5.400 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.633 -5.631 -6.227 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.290 -5.139 -3.659 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.033 -3.805 -4.766 1.00 0.00 H new ATOM 358 N ASP A 24 -9.693 -6.607 -4.486 1.00 0.00 N ATOM 359 CA ASP A 24 -10.624 -7.692 -4.092 1.00 0.00 C ATOM 360 C ASP A 24 -11.876 -7.155 -3.365 1.00 0.00 C ATOM 361 O ASP A 24 -12.834 -7.910 -3.144 1.00 0.00 O ATOM 362 CB ASP A 24 -9.881 -8.718 -3.199 1.00 0.00 C ATOM 363 CG ASP A 24 -9.180 -8.062 -1.991 1.00 0.00 C ATOM 364 OD1 ASP A 24 -9.812 -7.913 -0.917 1.00 0.00 O ATOM 365 OD2 ASP A 24 -8.006 -7.661 -2.134 1.00 0.00 O ATOM 0 H ASP A 24 -8.858 -6.559 -3.902 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.970 -8.179 -5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.592 -9.463 -2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.141 -9.247 -3.800 1.00 0.00 H new ATOM 370 N ARG A 25 -11.851 -5.861 -2.980 1.00 0.00 N ATOM 371 CA ARG A 25 -12.988 -5.198 -2.309 1.00 0.00 C ATOM 372 C ARG A 25 -14.154 -4.991 -3.275 1.00 0.00 C ATOM 373 O ARG A 25 -13.988 -5.083 -4.488 1.00 0.00 O ATOM 374 CB ARG A 25 -12.545 -3.840 -1.695 1.00 0.00 C ATOM 375 CG ARG A 25 -11.553 -3.983 -0.523 1.00 0.00 C ATOM 376 CD ARG A 25 -12.153 -4.743 0.670 1.00 0.00 C ATOM 377 NE ARG A 25 -11.128 -5.115 1.655 1.00 0.00 N ATOM 378 CZ ARG A 25 -11.298 -5.129 2.983 1.00 0.00 C ATOM 379 NH1 ARG A 25 -12.422 -4.689 3.531 1.00 0.00 N ATOM 380 NH2 ARG A 25 -10.332 -5.587 3.754 1.00 0.00 N ATOM 0 H ARG A 25 -11.047 -5.250 -3.125 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.327 -5.850 -1.504 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.087 -3.231 -2.475 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.428 -3.303 -1.348 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.660 -4.504 -0.869 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.237 -2.992 -0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.911 -4.124 1.151 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -12.656 -5.642 0.312 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.212 -5.385 1.298 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -13.173 -4.333 2.939 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -12.536 -4.706 4.544 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.465 -5.926 3.338 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.452 -5.602 4.767 1.00 0.00 H new ATOM 394 N THR A 26 -15.331 -4.705 -2.713 1.00 0.00 N ATOM 395 CA THR A 26 -16.553 -4.442 -3.478 1.00 0.00 C ATOM 396 C THR A 26 -16.696 -2.934 -3.703 1.00 0.00 C ATOM 397 O THR A 26 -16.053 -2.132 -3.007 1.00 0.00 O ATOM 398 CB THR A 26 -17.805 -4.999 -2.727 1.00 0.00 C ATOM 399 OG1 THR A 26 -17.952 -4.332 -1.461 1.00 0.00 O ATOM 400 CG2 THR A 26 -17.701 -6.522 -2.496 1.00 0.00 C ATOM 0 H THR A 26 -15.464 -4.649 -1.703 1.00 0.00 H new ATOM 0 HA THR A 26 -16.485 -4.947 -4.441 1.00 0.00 H new ATOM 0 HB THR A 26 -18.678 -4.810 -3.352 1.00 0.00 H new ATOM 0 HG1 THR A 26 -18.739 -4.684 -0.995 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.590 -6.872 -1.971 1.00 0.00 H new ATOM 0 HG22 THR A 26 -17.623 -7.031 -3.457 1.00 0.00 H new ATOM 0 HG23 THR A 26 -16.817 -6.740 -1.897 1.00 0.00 H new ATOM 408 N ILE A 27 -17.527 -2.543 -4.680 1.00 0.00 N ATOM 409 CA ILE A 27 -17.783 -1.120 -4.981 1.00 0.00 C ATOM 410 C ILE A 27 -18.487 -0.443 -3.780 1.00 0.00 C ATOM 411 O ILE A 27 -18.309 0.752 -3.553 1.00 0.00 O ATOM 412 CB ILE A 27 -18.610 -0.964 -6.316 1.00 0.00 C ATOM 413 CG1 ILE A 27 -17.842 -1.605 -7.525 1.00 0.00 C ATOM 414 CG2 ILE A 27 -18.980 0.512 -6.623 1.00 0.00 C ATOM 415 CD1 ILE A 27 -16.472 -1.004 -7.833 1.00 0.00 C ATOM 0 H ILE A 27 -18.037 -3.192 -5.279 1.00 0.00 H new ATOM 0 HA ILE A 27 -16.830 -0.615 -5.139 1.00 0.00 H new ATOM 0 HB ILE A 27 -19.547 -1.500 -6.168 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.715 -2.670 -7.328 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.465 -1.518 -8.415 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.548 0.559 -7.552 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -19.583 0.913 -5.808 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -18.069 1.102 -6.724 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.031 -1.521 -8.685 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -16.584 0.054 -8.069 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.822 -1.116 -6.965 1.00 0.00 H new ATOM 427 N GLU A 28 -19.225 -1.252 -2.984 1.00 0.00 N ATOM 428 CA GLU A 28 -19.847 -0.817 -1.710 1.00 0.00 C ATOM 429 C GLU A 28 -18.804 -0.257 -0.718 1.00 0.00 C ATOM 430 O GLU A 28 -19.071 0.734 -0.030 1.00 0.00 O ATOM 431 CB GLU A 28 -20.598 -2.003 -1.058 1.00 0.00 C ATOM 432 CG GLU A 28 -21.817 -2.497 -1.857 1.00 0.00 C ATOM 433 CD GLU A 28 -22.514 -3.716 -1.233 1.00 0.00 C ATOM 434 OE1 GLU A 28 -21.839 -4.734 -1.001 1.00 0.00 O ATOM 435 OE2 GLU A 28 -23.740 -3.679 -0.996 1.00 0.00 O ATOM 0 H GLU A 28 -19.407 -2.230 -3.208 1.00 0.00 H new ATOM 0 HA GLU A 28 -20.548 -0.016 -1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -19.902 -2.832 -0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -20.927 -1.706 -0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -22.537 -1.683 -1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -21.499 -2.750 -2.868 1.00 0.00 H new ATOM 442 N GLU A 29 -17.622 -0.914 -0.658 1.00 0.00 N ATOM 443 CA GLU A 29 -16.475 -0.465 0.170 1.00 0.00 C ATOM 444 C GLU A 29 -16.061 0.965 -0.229 1.00 0.00 C ATOM 445 O GLU A 29 -15.830 1.812 0.630 1.00 0.00 O ATOM 446 CB GLU A 29 -15.260 -1.431 0.005 1.00 0.00 C ATOM 447 CG GLU A 29 -15.545 -2.917 0.309 1.00 0.00 C ATOM 448 CD GLU A 29 -15.825 -3.213 1.788 1.00 0.00 C ATOM 449 OE1 GLU A 29 -14.860 -3.272 2.581 1.00 0.00 O ATOM 450 OE2 GLU A 29 -16.999 -3.405 2.165 1.00 0.00 O ATOM 0 H GLU A 29 -17.436 -1.770 -1.181 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.786 -0.472 1.215 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.892 -1.352 -1.018 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.457 -1.092 0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.401 -3.240 -0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.691 -3.513 -0.014 1.00 0.00 H new ATOM 457 N LEU A 30 -16.017 1.214 -1.556 1.00 0.00 N ATOM 458 CA LEU A 30 -15.694 2.542 -2.121 1.00 0.00 C ATOM 459 C LEU A 30 -16.731 3.585 -1.707 1.00 0.00 C ATOM 460 O LEU A 30 -16.374 4.703 -1.355 1.00 0.00 O ATOM 461 CB LEU A 30 -15.628 2.486 -3.667 1.00 0.00 C ATOM 462 CG LEU A 30 -14.562 1.525 -4.260 1.00 0.00 C ATOM 463 CD1 LEU A 30 -14.612 1.517 -5.806 1.00 0.00 C ATOM 464 CD2 LEU A 30 -13.153 1.880 -3.737 1.00 0.00 C ATOM 0 H LEU A 30 -16.204 0.503 -2.263 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.719 2.829 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.607 2.190 -4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.433 3.491 -4.041 1.00 0.00 H new ATOM 0 HG LEU A 30 -14.794 0.514 -3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.854 0.835 -6.191 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.597 1.188 -6.136 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.420 2.522 -6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.422 1.194 -4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.904 2.901 -4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.136 1.796 -2.650 1.00 0.00 H new ATOM 476 N MET A 31 -18.015 3.181 -1.764 1.00 0.00 N ATOM 477 CA MET A 31 -19.160 4.037 -1.418 1.00 0.00 C ATOM 478 C MET A 31 -19.084 4.506 0.054 1.00 0.00 C ATOM 479 O MET A 31 -19.501 5.621 0.378 1.00 0.00 O ATOM 480 CB MET A 31 -20.501 3.309 -1.728 1.00 0.00 C ATOM 481 CG MET A 31 -20.625 2.796 -3.181 1.00 0.00 C ATOM 482 SD MET A 31 -22.324 2.517 -3.743 1.00 0.00 S ATOM 483 CE MET A 31 -22.771 4.145 -4.355 1.00 0.00 C ATOM 0 H MET A 31 -18.286 2.242 -2.055 1.00 0.00 H new ATOM 0 HA MET A 31 -19.120 4.932 -2.039 1.00 0.00 H new ATOM 0 HB2 MET A 31 -20.609 2.465 -1.047 1.00 0.00 H new ATOM 0 HB3 MET A 31 -21.327 3.991 -1.524 1.00 0.00 H new ATOM 0 HG2 MET A 31 -20.150 3.516 -3.848 1.00 0.00 H new ATOM 0 HG3 MET A 31 -20.069 1.863 -3.271 1.00 0.00 H new ATOM 0 HE1 MET A 31 -23.843 4.298 -4.233 1.00 0.00 H new ATOM 0 HE2 MET A 31 -22.230 4.906 -3.793 1.00 0.00 H new ATOM 0 HE3 MET A 31 -22.512 4.221 -5.411 1.00 0.00 H new ATOM 493 N GLU A 32 -18.489 3.665 0.917 1.00 0.00 N ATOM 494 CA GLU A 32 -18.275 3.990 2.335 1.00 0.00 C ATOM 495 C GLU A 32 -17.081 4.947 2.507 1.00 0.00 C ATOM 496 O GLU A 32 -17.122 5.845 3.349 1.00 0.00 O ATOM 497 CB GLU A 32 -18.043 2.698 3.141 1.00 0.00 C ATOM 498 CG GLU A 32 -19.235 1.720 3.107 1.00 0.00 C ATOM 499 CD GLU A 32 -19.069 0.528 4.057 1.00 0.00 C ATOM 500 OE1 GLU A 32 -18.296 -0.395 3.742 1.00 0.00 O ATOM 501 OE2 GLU A 32 -19.703 0.513 5.134 1.00 0.00 O ATOM 0 H GLU A 32 -18.144 2.743 0.651 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.167 4.491 2.711 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -17.159 2.192 2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.830 2.961 4.177 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -20.146 2.259 3.367 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -19.363 1.350 2.090 1.00 0.00 H new ATOM 508 N LYS A 33 -16.018 4.709 1.714 1.00 0.00 N ATOM 509 CA LYS A 33 -14.804 5.560 1.689 1.00 0.00 C ATOM 510 C LYS A 33 -15.123 7.013 1.286 1.00 0.00 C ATOM 511 O LYS A 33 -14.730 7.949 1.978 1.00 0.00 O ATOM 512 CB LYS A 33 -13.718 4.929 0.750 1.00 0.00 C ATOM 513 CG LYS A 33 -12.720 3.965 1.445 1.00 0.00 C ATOM 514 CD LYS A 33 -13.398 2.925 2.363 1.00 0.00 C ATOM 515 CE LYS A 33 -12.395 1.967 3.016 1.00 0.00 C ATOM 516 NZ LYS A 33 -13.051 1.050 3.981 1.00 0.00 N ATOM 0 H LYS A 33 -15.973 3.920 1.069 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.404 5.600 2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -14.223 4.388 -0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.153 5.735 0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -12.143 3.442 0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.013 4.550 2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.958 3.444 3.141 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.119 2.349 1.782 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.895 1.383 2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.625 2.543 3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.338 0.419 4.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.507 1.605 4.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.769 0.482 3.487 1.00 0.00 H new ATOM 530 N LEU A 34 -15.849 7.195 0.176 1.00 0.00 N ATOM 531 CA LEU A 34 -16.231 8.538 -0.302 1.00 0.00 C ATOM 532 C LEU A 34 -17.232 9.198 0.666 1.00 0.00 C ATOM 533 O LEU A 34 -17.193 10.415 0.860 1.00 0.00 O ATOM 534 CB LEU A 34 -16.752 8.466 -1.773 1.00 0.00 C ATOM 535 CG LEU A 34 -17.930 7.465 -2.066 1.00 0.00 C ATOM 536 CD1 LEU A 34 -19.332 8.103 -1.889 1.00 0.00 C ATOM 537 CD2 LEU A 34 -17.779 6.805 -3.455 1.00 0.00 C ATOM 0 H LEU A 34 -16.186 6.432 -0.411 1.00 0.00 H new ATOM 0 HA LEU A 34 -15.350 9.180 -0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.075 9.465 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -15.914 8.200 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.857 6.682 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -20.100 7.360 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.445 8.453 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -19.438 8.945 -2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.610 6.120 -3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.781 7.575 -4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -16.840 6.254 -3.496 1.00 0.00 H new ATOM 549 N LYS A 35 -18.088 8.375 1.309 1.00 0.00 N ATOM 550 CA LYS A 35 -19.047 8.843 2.330 1.00 0.00 C ATOM 551 C LYS A 35 -18.313 9.436 3.555 1.00 0.00 C ATOM 552 O LYS A 35 -18.637 10.541 3.986 1.00 0.00 O ATOM 553 CB LYS A 35 -19.988 7.678 2.761 1.00 0.00 C ATOM 554 CG LYS A 35 -20.899 7.963 3.984 1.00 0.00 C ATOM 555 CD LYS A 35 -21.860 9.161 3.786 1.00 0.00 C ATOM 556 CE LYS A 35 -22.672 9.472 5.052 1.00 0.00 C ATOM 557 NZ LYS A 35 -23.645 10.574 4.841 1.00 0.00 N ATOM 0 H LYS A 35 -18.133 7.371 1.135 1.00 0.00 H new ATOM 0 HA LYS A 35 -19.653 9.636 1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -20.621 7.415 1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -19.375 6.805 2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -21.486 7.071 4.203 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.272 8.153 4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -21.285 10.042 3.500 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -22.542 8.945 2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -23.205 8.575 5.368 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -21.992 9.741 5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -24.084 10.828 5.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -23.152 11.403 4.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -24.381 10.264 4.175 1.00 0.00 H new ATOM 571 N GLU A 36 -17.321 8.705 4.092 1.00 0.00 N ATOM 572 CA GLU A 36 -16.582 9.127 5.307 1.00 0.00 C ATOM 573 C GLU A 36 -15.677 10.343 5.008 1.00 0.00 C ATOM 574 O GLU A 36 -15.317 11.094 5.921 1.00 0.00 O ATOM 575 CB GLU A 36 -15.758 7.948 5.901 1.00 0.00 C ATOM 576 CG GLU A 36 -14.589 7.471 5.017 1.00 0.00 C ATOM 577 CD GLU A 36 -13.841 6.254 5.574 1.00 0.00 C ATOM 578 OE1 GLU A 36 -13.011 6.422 6.490 1.00 0.00 O ATOM 579 OE2 GLU A 36 -14.062 5.123 5.093 1.00 0.00 O ATOM 0 H GLU A 36 -17.007 7.815 3.706 1.00 0.00 H new ATOM 0 HA GLU A 36 -17.314 9.430 6.056 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.363 8.251 6.871 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.428 7.107 6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -14.973 7.227 4.026 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.883 8.292 4.892 1.00 0.00 H new ATOM 586 N GLN A 37 -15.318 10.522 3.716 1.00 0.00 N ATOM 587 CA GLN A 37 -14.500 11.658 3.259 1.00 0.00 C ATOM 588 C GLN A 37 -15.328 12.958 3.164 1.00 0.00 C ATOM 589 O GLN A 37 -15.162 13.861 3.989 1.00 0.00 O ATOM 590 CB GLN A 37 -13.841 11.331 1.886 1.00 0.00 C ATOM 591 CG GLN A 37 -12.713 10.271 1.924 1.00 0.00 C ATOM 592 CD GLN A 37 -11.386 10.758 2.536 1.00 0.00 C ATOM 593 OE1 GLN A 37 -11.353 11.592 3.443 1.00 0.00 O ATOM 594 NE2 GLN A 37 -10.279 10.246 2.034 1.00 0.00 N ATOM 0 H GLN A 37 -15.588 9.884 2.968 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.717 11.821 4.000 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.617 10.986 1.203 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.436 12.253 1.468 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.063 9.409 2.492 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.523 9.927 0.907 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.330 9.557 1.284 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.372 10.539 2.396 1.00 0.00 H new ATOM 603 N THR A 38 -16.255 13.025 2.194 1.00 0.00 N ATOM 604 CA THR A 38 -16.972 14.280 1.854 1.00 0.00 C ATOM 605 C THR A 38 -18.296 14.420 2.640 1.00 0.00 C ATOM 606 O THR A 38 -18.753 15.546 2.878 1.00 0.00 O ATOM 607 CB THR A 38 -17.227 14.384 0.309 1.00 0.00 C ATOM 608 OG1 THR A 38 -17.884 15.619 -0.036 1.00 0.00 O ATOM 609 CG2 THR A 38 -18.051 13.207 -0.216 1.00 0.00 C ATOM 0 H THR A 38 -16.531 12.225 1.625 1.00 0.00 H new ATOM 0 HA THR A 38 -16.328 15.108 2.151 1.00 0.00 H new ATOM 0 HB THR A 38 -16.246 14.359 -0.165 1.00 0.00 H new ATOM 0 HG1 THR A 38 -18.027 15.654 -1.005 1.00 0.00 H new ATOM 0 HG21 THR A 38 -18.204 13.320 -1.289 1.00 0.00 H new ATOM 0 HG22 THR A 38 -17.520 12.275 -0.021 1.00 0.00 H new ATOM 0 HG23 THR A 38 -19.017 13.186 0.288 1.00 0.00 H new ATOM 617 N GLY A 39 -18.902 13.286 3.043 1.00 0.00 N ATOM 618 CA GLY A 39 -20.110 13.296 3.886 1.00 0.00 C ATOM 619 C GLY A 39 -21.422 13.143 3.127 1.00 0.00 C ATOM 620 O GLY A 39 -22.485 13.037 3.756 1.00 0.00 O ATOM 0 H GLY A 39 -18.573 12.352 2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -20.033 12.490 4.616 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -20.137 14.231 4.445 1.00 0.00 H new ATOM 624 N VAL A 40 -21.362 13.154 1.786 1.00 0.00 N ATOM 625 CA VAL A 40 -22.556 13.000 0.933 1.00 0.00 C ATOM 626 C VAL A 40 -22.998 11.503 0.926 1.00 0.00 C ATOM 627 O VAL A 40 -22.136 10.615 0.817 1.00 0.00 O ATOM 628 CB VAL A 40 -22.291 13.558 -0.532 1.00 0.00 C ATOM 629 CG1 VAL A 40 -21.378 12.635 -1.376 1.00 0.00 C ATOM 630 CG2 VAL A 40 -23.611 13.890 -1.269 1.00 0.00 C ATOM 0 H VAL A 40 -20.493 13.269 1.264 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.373 13.594 1.343 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.743 14.492 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.235 13.070 -2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -20.412 12.529 -0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.844 11.655 -1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -23.386 14.268 -2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -24.218 12.989 -1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -24.160 14.647 -0.709 1.00 0.00 H new ATOM 640 N PRO A 41 -24.334 11.192 1.113 1.00 0.00 N ATOM 641 CA PRO A 41 -24.829 9.792 1.167 1.00 0.00 C ATOM 642 C PRO A 41 -24.642 9.063 -0.189 1.00 0.00 C ATOM 643 O PRO A 41 -25.146 9.543 -1.205 1.00 0.00 O ATOM 644 CB PRO A 41 -26.332 9.947 1.544 1.00 0.00 C ATOM 645 CG PRO A 41 -26.698 11.333 1.106 1.00 0.00 C ATOM 646 CD PRO A 41 -25.448 12.165 1.305 1.00 0.00 C ATOM 0 HA PRO A 41 -24.281 9.180 1.883 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -26.945 9.199 1.041 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -26.486 9.817 2.615 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -27.015 11.344 0.063 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -27.528 11.724 1.695 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -25.393 12.982 0.585 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -25.420 12.613 2.298 1.00 0.00 H new ATOM 654 N PRO A 42 -23.911 7.894 -0.221 1.00 0.00 N ATOM 655 CA PRO A 42 -23.591 7.173 -1.480 1.00 0.00 C ATOM 656 C PRO A 42 -24.840 6.635 -2.207 1.00 0.00 C ATOM 657 O PRO A 42 -24.794 6.399 -3.411 1.00 0.00 O ATOM 658 CB PRO A 42 -22.675 6.015 -1.012 1.00 0.00 C ATOM 659 CG PRO A 42 -22.997 5.822 0.438 1.00 0.00 C ATOM 660 CD PRO A 42 -23.339 7.194 0.962 1.00 0.00 C ATOM 0 HA PRO A 42 -23.123 7.832 -2.211 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -22.867 5.106 -1.582 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -21.623 6.264 -1.152 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -23.832 5.134 0.566 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -22.149 5.397 0.975 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -24.056 7.142 1.781 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -22.457 7.708 1.343 1.00 0.00 H new ATOM 668 N GLU A 43 -25.940 6.443 -1.456 1.00 0.00 N ATOM 669 CA GLU A 43 -27.258 6.050 -2.015 1.00 0.00 C ATOM 670 C GLU A 43 -27.789 7.107 -3.019 1.00 0.00 C ATOM 671 O GLU A 43 -28.560 6.793 -3.926 1.00 0.00 O ATOM 672 CB GLU A 43 -28.278 5.864 -0.864 1.00 0.00 C ATOM 673 CG GLU A 43 -28.441 7.119 0.024 1.00 0.00 C ATOM 674 CD GLU A 43 -29.532 6.975 1.086 1.00 0.00 C ATOM 675 OE1 GLU A 43 -29.232 6.532 2.211 1.00 0.00 O ATOM 676 OE2 GLU A 43 -30.702 7.301 0.796 1.00 0.00 O ATOM 0 H GLU A 43 -25.946 6.555 -0.442 1.00 0.00 H new ATOM 0 HA GLU A 43 -27.130 5.110 -2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -29.247 5.600 -1.287 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -27.963 5.027 -0.242 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -27.492 7.333 0.516 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -28.672 7.976 -0.609 1.00 0.00 H new ATOM 683 N GLN A 44 -27.369 8.362 -2.820 1.00 0.00 N ATOM 684 CA GLN A 44 -27.755 9.502 -3.672 1.00 0.00 C ATOM 685 C GLN A 44 -26.785 9.647 -4.872 1.00 0.00 C ATOM 686 O GLN A 44 -27.006 10.472 -5.761 1.00 0.00 O ATOM 687 CB GLN A 44 -27.771 10.792 -2.802 1.00 0.00 C ATOM 688 CG GLN A 44 -28.270 12.070 -3.517 1.00 0.00 C ATOM 689 CD GLN A 44 -28.187 13.343 -2.677 1.00 0.00 C ATOM 690 OE1 GLN A 44 -29.014 14.239 -2.828 1.00 0.00 O ATOM 691 NE2 GLN A 44 -27.161 13.461 -1.833 1.00 0.00 N ATOM 0 H GLN A 44 -26.745 8.621 -2.056 1.00 0.00 H new ATOM 0 HA GLN A 44 -28.750 9.332 -4.083 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -28.401 10.614 -1.931 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -26.761 10.973 -2.433 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -27.687 12.212 -4.427 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -29.305 11.919 -3.822 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -26.493 12.697 -1.732 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -27.045 14.315 -1.288 1.00 0.00 H new ATOM 700 N LEU A 45 -25.710 8.827 -4.897 1.00 0.00 N ATOM 701 CA LEU A 45 -24.652 8.885 -5.935 1.00 0.00 C ATOM 702 C LEU A 45 -24.466 7.534 -6.638 1.00 0.00 C ATOM 703 O LEU A 45 -24.970 6.496 -6.193 1.00 0.00 O ATOM 704 CB LEU A 45 -23.284 9.352 -5.336 1.00 0.00 C ATOM 705 CG LEU A 45 -23.168 10.854 -4.902 1.00 0.00 C ATOM 706 CD1 LEU A 45 -23.683 11.793 -6.011 1.00 0.00 C ATOM 707 CD2 LEU A 45 -23.868 11.126 -3.563 1.00 0.00 C ATOM 0 H LEU A 45 -25.550 8.103 -4.196 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.985 9.617 -6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.066 8.731 -4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.506 9.152 -6.073 1.00 0.00 H new ATOM 0 HG LEU A 45 -22.109 11.065 -4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -23.591 12.828 -5.683 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -23.093 11.645 -6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.729 11.570 -6.219 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -23.761 12.179 -3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -24.926 10.879 -3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.415 10.513 -2.784 1.00 0.00 H new ATOM 719 N ARG A 46 -23.748 7.591 -7.773 1.00 0.00 N ATOM 720 CA ARG A 46 -23.287 6.418 -8.526 1.00 0.00 C ATOM 721 C ARG A 46 -21.765 6.526 -8.664 1.00 0.00 C ATOM 722 O ARG A 46 -21.263 7.588 -9.062 1.00 0.00 O ATOM 723 CB ARG A 46 -23.931 6.360 -9.945 1.00 0.00 C ATOM 724 CG ARG A 46 -25.459 6.502 -9.962 1.00 0.00 C ATOM 725 CD ARG A 46 -26.049 6.484 -11.376 1.00 0.00 C ATOM 726 NE ARG A 46 -27.492 6.797 -11.381 1.00 0.00 N ATOM 727 CZ ARG A 46 -28.482 5.975 -11.790 1.00 0.00 C ATOM 728 NH1 ARG A 46 -28.219 4.763 -12.248 1.00 0.00 N ATOM 729 NH2 ARG A 46 -29.738 6.389 -11.744 1.00 0.00 N ATOM 0 H ARG A 46 -23.467 8.474 -8.199 1.00 0.00 H new ATOM 0 HA ARG A 46 -23.577 5.511 -7.995 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -23.499 7.151 -10.558 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -23.663 5.413 -10.413 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -25.900 5.692 -9.381 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -25.737 7.435 -9.471 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -25.520 7.206 -11.998 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -25.890 5.502 -11.822 1.00 0.00 H new ATOM 0 HE ARG A 46 -27.766 7.720 -11.044 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -27.255 4.434 -12.297 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -28.980 4.156 -12.552 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -29.954 7.325 -11.401 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -30.490 5.772 -12.052 1.00 0.00 H new ATOM 743 N VAL A 47 -21.043 5.451 -8.314 1.00 0.00 N ATOM 744 CA VAL A 47 -19.593 5.365 -8.524 1.00 0.00 C ATOM 745 C VAL A 47 -19.332 5.079 -10.015 1.00 0.00 C ATOM 746 O VAL A 47 -19.820 4.085 -10.553 1.00 0.00 O ATOM 747 CB VAL A 47 -18.946 4.257 -7.614 1.00 0.00 C ATOM 748 CG1 VAL A 47 -17.426 4.155 -7.843 1.00 0.00 C ATOM 749 CG2 VAL A 47 -19.254 4.522 -6.126 1.00 0.00 C ATOM 0 H VAL A 47 -21.447 4.621 -7.880 1.00 0.00 H new ATOM 0 HA VAL A 47 -19.130 6.311 -8.244 1.00 0.00 H new ATOM 0 HB VAL A 47 -19.389 3.301 -7.894 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -17.012 3.380 -7.198 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -17.231 3.902 -8.885 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -16.958 5.111 -7.608 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -18.797 3.743 -5.516 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -18.850 5.493 -5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -20.333 4.517 -5.971 1.00 0.00 H new ATOM 759 N ILE A 48 -18.597 5.991 -10.672 1.00 0.00 N ATOM 760 CA ILE A 48 -18.395 5.988 -12.133 1.00 0.00 C ATOM 761 C ILE A 48 -16.887 5.965 -12.469 1.00 0.00 C ATOM 762 O ILE A 48 -16.195 6.972 -12.311 1.00 0.00 O ATOM 763 CB ILE A 48 -19.049 7.265 -12.803 1.00 0.00 C ATOM 764 CG1 ILE A 48 -20.565 7.427 -12.423 1.00 0.00 C ATOM 765 CG2 ILE A 48 -18.862 7.241 -14.341 1.00 0.00 C ATOM 766 CD1 ILE A 48 -21.494 6.344 -12.938 1.00 0.00 C ATOM 0 H ILE A 48 -18.121 6.760 -10.200 1.00 0.00 H new ATOM 0 HA ILE A 48 -18.876 5.093 -12.528 1.00 0.00 H new ATOM 0 HB ILE A 48 -18.527 8.136 -12.406 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -20.646 7.462 -11.337 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -20.914 8.388 -12.800 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -19.320 8.129 -14.777 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -17.798 7.228 -14.578 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -19.336 6.349 -14.751 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -22.514 6.556 -12.617 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -21.454 6.318 -14.027 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -21.182 5.378 -12.541 1.00 0.00 H new ATOM 778 N TYR A 49 -16.393 4.816 -12.936 1.00 0.00 N ATOM 779 CA TYR A 49 -15.004 4.670 -13.403 1.00 0.00 C ATOM 780 C TYR A 49 -14.888 5.095 -14.867 1.00 0.00 C ATOM 781 O TYR A 49 -15.374 4.379 -15.754 1.00 0.00 O ATOM 782 CB TYR A 49 -14.541 3.207 -13.236 1.00 0.00 C ATOM 783 CG TYR A 49 -13.176 2.846 -13.845 1.00 0.00 C ATOM 784 CD1 TYR A 49 -13.066 1.913 -14.882 1.00 0.00 C ATOM 785 CD2 TYR A 49 -11.998 3.411 -13.368 1.00 0.00 C ATOM 786 CE1 TYR A 49 -11.840 1.555 -15.400 1.00 0.00 C ATOM 787 CE2 TYR A 49 -10.779 3.057 -13.895 1.00 0.00 C ATOM 788 CZ TYR A 49 -10.703 2.134 -14.905 1.00 0.00 C ATOM 789 OH TYR A 49 -9.471 1.775 -15.407 1.00 0.00 O ATOM 0 H TYR A 49 -16.941 3.958 -13.003 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.363 5.315 -12.802 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.511 2.978 -12.171 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -15.295 2.558 -13.680 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -13.961 1.464 -15.285 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -12.042 4.139 -12.571 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.777 0.823 -16.191 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.876 3.509 -13.511 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.852 2.531 -15.326 1.00 0.00 H new ATOM 799 N ASN A 50 -14.294 6.283 -15.097 1.00 0.00 N ATOM 800 CA ASN A 50 -13.814 6.711 -16.431 1.00 0.00 C ATOM 801 C ASN A 50 -14.985 6.839 -17.467 1.00 0.00 C ATOM 802 O ASN A 50 -14.769 6.821 -18.682 1.00 0.00 O ATOM 803 CB ASN A 50 -12.692 5.705 -16.887 1.00 0.00 C ATOM 804 CG ASN A 50 -11.928 6.087 -18.157 1.00 0.00 C ATOM 805 OD1 ASN A 50 -11.788 7.260 -18.499 1.00 0.00 O ATOM 806 ND2 ASN A 50 -11.417 5.088 -18.853 1.00 0.00 N ATOM 0 H ASN A 50 -14.132 6.974 -14.365 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.390 7.713 -16.373 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.975 5.597 -16.073 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.148 4.727 -17.041 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.887 5.278 -19.703 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.552 4.127 -18.540 1.00 0.00 H new ATOM 813 N GLY A 51 -16.223 7.015 -16.958 1.00 0.00 N ATOM 814 CA GLY A 51 -17.424 7.130 -17.810 1.00 0.00 C ATOM 815 C GLY A 51 -18.243 5.840 -17.883 1.00 0.00 C ATOM 816 O GLY A 51 -19.097 5.705 -18.760 1.00 0.00 O ATOM 0 H GLY A 51 -16.416 7.081 -15.959 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.056 7.932 -17.428 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.120 7.416 -18.817 1.00 0.00 H new ATOM 820 N ARG A 52 -17.975 4.898 -16.955 1.00 0.00 N ATOM 821 CA ARG A 52 -18.710 3.613 -16.834 1.00 0.00 C ATOM 822 C ARG A 52 -19.251 3.461 -15.403 1.00 0.00 C ATOM 823 O ARG A 52 -18.516 3.674 -14.439 1.00 0.00 O ATOM 824 CB ARG A 52 -17.782 2.411 -17.209 1.00 0.00 C ATOM 825 CG ARG A 52 -18.327 1.011 -16.815 1.00 0.00 C ATOM 826 CD ARG A 52 -17.500 -0.145 -17.394 1.00 0.00 C ATOM 827 NE ARG A 52 -17.885 -1.449 -16.818 1.00 0.00 N ATOM 828 CZ ARG A 52 -18.894 -2.233 -17.245 1.00 0.00 C ATOM 829 NH1 ARG A 52 -19.668 -1.874 -18.259 1.00 0.00 N ATOM 830 NH2 ARG A 52 -19.121 -3.393 -16.648 1.00 0.00 N ATOM 0 H ARG A 52 -17.236 5.005 -16.260 1.00 0.00 H new ATOM 0 HA ARG A 52 -19.550 3.615 -17.529 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -17.609 2.427 -18.285 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.814 2.555 -16.729 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -18.345 0.928 -15.728 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -19.357 0.920 -17.158 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.629 -0.175 -18.476 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.442 0.036 -17.204 1.00 0.00 H new ATOM 0 HE ARG A 52 -17.338 -1.786 -16.026 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -19.506 -0.986 -18.735 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -20.426 -2.485 -18.564 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.533 -3.689 -15.869 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -19.884 -3.990 -16.967 1.00 0.00 H new ATOM 844 N GLU A 53 -20.543 3.086 -15.283 1.00 0.00 N ATOM 845 CA GLU A 53 -21.205 2.887 -13.982 1.00 0.00 C ATOM 846 C GLU A 53 -20.740 1.572 -13.340 1.00 0.00 C ATOM 847 O GLU A 53 -20.637 0.539 -14.017 1.00 0.00 O ATOM 848 CB GLU A 53 -22.747 2.873 -14.127 1.00 0.00 C ATOM 849 CG GLU A 53 -23.500 3.055 -12.789 1.00 0.00 C ATOM 850 CD GLU A 53 -25.008 2.859 -12.934 1.00 0.00 C ATOM 851 OE1 GLU A 53 -25.700 3.797 -13.354 1.00 0.00 O ATOM 852 OE2 GLU A 53 -25.508 1.754 -12.655 1.00 0.00 O ATOM 0 H GLU A 53 -21.151 2.914 -16.083 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.926 3.724 -13.342 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.046 3.666 -14.812 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.052 1.929 -14.580 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.113 2.344 -12.059 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.303 4.053 -12.398 1.00 0.00 H new ATOM 859 N LEU A 54 -20.460 1.628 -12.033 1.00 0.00 N ATOM 860 CA LEU A 54 -19.972 0.478 -11.264 1.00 0.00 C ATOM 861 C LEU A 54 -21.086 -0.065 -10.352 1.00 0.00 C ATOM 862 O LEU A 54 -21.615 0.670 -9.507 1.00 0.00 O ATOM 863 CB LEU A 54 -18.728 0.893 -10.433 1.00 0.00 C ATOM 864 CG LEU A 54 -17.585 1.640 -11.214 1.00 0.00 C ATOM 865 CD1 LEU A 54 -16.317 1.773 -10.359 1.00 0.00 C ATOM 866 CD2 LEU A 54 -17.289 0.977 -12.580 1.00 0.00 C ATOM 0 H LEU A 54 -20.566 2.476 -11.477 1.00 0.00 H new ATOM 0 HA LEU A 54 -19.681 -0.317 -11.951 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -19.060 1.535 -9.617 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -18.304 -0.004 -9.981 1.00 0.00 H new ATOM 0 HG LEU A 54 -17.944 2.648 -11.424 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.547 2.294 -10.928 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -16.545 2.339 -9.456 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.957 0.781 -10.085 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.494 1.525 -13.086 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -16.976 -0.055 -12.423 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -18.189 0.994 -13.195 1.00 0.00 H new ATOM 878 N GLU A 55 -21.437 -1.345 -10.562 1.00 0.00 N ATOM 879 CA GLU A 55 -22.431 -2.062 -9.746 1.00 0.00 C ATOM 880 C GLU A 55 -21.866 -2.324 -8.334 1.00 0.00 C ATOM 881 O GLU A 55 -20.767 -2.878 -8.224 1.00 0.00 O ATOM 882 CB GLU A 55 -22.806 -3.407 -10.424 1.00 0.00 C ATOM 883 CG GLU A 55 -23.516 -3.265 -11.788 1.00 0.00 C ATOM 884 CD GLU A 55 -25.030 -3.028 -11.662 1.00 0.00 C ATOM 885 OE1 GLU A 55 -25.801 -4.016 -11.693 1.00 0.00 O ATOM 886 OE2 GLU A 55 -25.458 -1.861 -11.515 1.00 0.00 O ATOM 0 H GLU A 55 -21.036 -1.915 -11.307 1.00 0.00 H new ATOM 0 HA GLU A 55 -23.327 -1.447 -9.661 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -21.898 -3.995 -10.561 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -23.452 -3.970 -9.750 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -23.070 -2.436 -12.338 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -23.344 -4.167 -12.375 1.00 0.00 H new ATOM 893 N PRO A 56 -22.618 -1.955 -7.245 1.00 0.00 N ATOM 894 CA PRO A 56 -22.162 -2.127 -5.839 1.00 0.00 C ATOM 895 C PRO A 56 -21.932 -3.616 -5.470 1.00 0.00 C ATOM 896 O PRO A 56 -21.049 -3.939 -4.666 1.00 0.00 O ATOM 897 CB PRO A 56 -23.305 -1.471 -5.002 1.00 0.00 C ATOM 898 CG PRO A 56 -24.505 -1.495 -5.902 1.00 0.00 C ATOM 899 CD PRO A 56 -23.966 -1.330 -7.308 1.00 0.00 C ATOM 0 HA PRO A 56 -21.192 -1.665 -5.653 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -23.490 -2.026 -4.082 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -23.048 -0.452 -4.713 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -25.052 -2.432 -5.800 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -25.198 -0.692 -5.652 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -24.603 -1.825 -8.041 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -23.907 -0.280 -7.594 1.00 0.00 H new ATOM 907 N ARG A 57 -22.709 -4.498 -6.126 1.00 0.00 N ATOM 908 CA ARG A 57 -22.648 -5.971 -5.952 1.00 0.00 C ATOM 909 C ARG A 57 -21.311 -6.565 -6.447 1.00 0.00 C ATOM 910 O ARG A 57 -20.921 -7.664 -6.037 1.00 0.00 O ATOM 911 CB ARG A 57 -23.827 -6.628 -6.719 1.00 0.00 C ATOM 912 CG ARG A 57 -23.819 -6.353 -8.236 1.00 0.00 C ATOM 913 CD ARG A 57 -24.971 -7.032 -8.988 1.00 0.00 C ATOM 914 NE ARG A 57 -24.929 -6.696 -10.418 1.00 0.00 N ATOM 915 CZ ARG A 57 -24.205 -7.336 -11.357 1.00 0.00 C ATOM 916 NH1 ARG A 57 -23.509 -8.434 -11.059 1.00 0.00 N ATOM 917 NH2 ARG A 57 -24.201 -6.879 -12.596 1.00 0.00 N ATOM 0 H ARG A 57 -23.412 -4.207 -6.806 1.00 0.00 H new ATOM 0 HA ARG A 57 -22.723 -6.182 -4.885 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -23.798 -7.705 -6.555 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -24.766 -6.267 -6.300 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -23.872 -5.277 -8.402 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -22.872 -6.694 -8.654 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -24.907 -8.113 -8.862 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -25.924 -6.717 -8.563 1.00 0.00 H new ATOM 0 HE ARG A 57 -25.499 -5.908 -10.727 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -23.519 -8.802 -10.108 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -22.966 -8.906 -11.782 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -24.743 -6.049 -12.835 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -23.656 -7.356 -13.314 1.00 0.00 H new ATOM 931 N THR A 58 -20.623 -5.829 -7.327 1.00 0.00 N ATOM 932 CA THR A 58 -19.405 -6.296 -8.011 1.00 0.00 C ATOM 933 C THR A 58 -18.128 -5.731 -7.336 1.00 0.00 C ATOM 934 O THR A 58 -18.193 -4.745 -6.593 1.00 0.00 O ATOM 935 CB THR A 58 -19.495 -5.882 -9.514 1.00 0.00 C ATOM 936 OG1 THR A 58 -20.771 -6.291 -10.049 1.00 0.00 O ATOM 937 CG2 THR A 58 -18.379 -6.492 -10.379 1.00 0.00 C ATOM 0 H THR A 58 -20.896 -4.882 -7.589 1.00 0.00 H new ATOM 0 HA THR A 58 -19.335 -7.381 -7.939 1.00 0.00 H new ATOM 0 HB THR A 58 -19.379 -4.799 -9.548 1.00 0.00 H new ATOM 0 HG1 THR A 58 -20.829 -6.030 -10.992 1.00 0.00 H new ATOM 0 HG21 THR A 58 -18.499 -6.165 -11.412 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.409 -6.164 -10.005 1.00 0.00 H new ATOM 0 HG23 THR A 58 -18.437 -7.580 -10.334 1.00 0.00 H new ATOM 945 N THR A 59 -16.973 -6.389 -7.586 1.00 0.00 N ATOM 946 CA THR A 59 -15.667 -6.001 -7.024 1.00 0.00 C ATOM 947 C THR A 59 -14.901 -5.014 -7.947 1.00 0.00 C ATOM 948 O THR A 59 -15.293 -4.775 -9.100 1.00 0.00 O ATOM 949 CB THR A 59 -14.797 -7.272 -6.741 1.00 0.00 C ATOM 950 OG1 THR A 59 -14.657 -8.043 -7.939 1.00 0.00 O ATOM 951 CG2 THR A 59 -15.409 -8.150 -5.629 1.00 0.00 C ATOM 0 H THR A 59 -16.925 -7.210 -8.189 1.00 0.00 H new ATOM 0 HA THR A 59 -15.859 -5.482 -6.085 1.00 0.00 H new ATOM 0 HB THR A 59 -13.818 -6.933 -6.401 1.00 0.00 H new ATOM 0 HG1 THR A 59 -14.110 -8.836 -7.756 1.00 0.00 H new ATOM 0 HG21 THR A 59 -14.775 -9.021 -5.463 1.00 0.00 H new ATOM 0 HG22 THR A 59 -15.480 -7.573 -4.707 1.00 0.00 H new ATOM 0 HG23 THR A 59 -16.404 -8.477 -5.930 1.00 0.00 H new ATOM 959 N LEU A 60 -13.790 -4.463 -7.406 1.00 0.00 N ATOM 960 CA LEU A 60 -12.939 -3.443 -8.072 1.00 0.00 C ATOM 961 C LEU A 60 -12.136 -4.046 -9.235 1.00 0.00 C ATOM 962 O LEU A 60 -12.001 -3.431 -10.300 1.00 0.00 O ATOM 963 CB LEU A 60 -11.950 -2.806 -7.033 1.00 0.00 C ATOM 964 CG LEU A 60 -12.502 -1.657 -6.127 1.00 0.00 C ATOM 965 CD1 LEU A 60 -13.786 -2.051 -5.387 1.00 0.00 C ATOM 966 CD2 LEU A 60 -11.428 -1.184 -5.130 1.00 0.00 C ATOM 0 H LEU A 60 -13.452 -4.718 -6.478 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.600 -2.676 -8.475 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.585 -3.602 -6.383 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.089 -2.420 -7.579 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.759 -0.832 -6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.123 -1.215 -4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.560 -2.305 -6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.589 -2.913 -4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.834 -0.385 -4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.128 -2.018 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.561 -0.814 -5.677 1.00 0.00 H new ATOM 978 N GLU A 61 -11.602 -5.253 -8.995 1.00 0.00 N ATOM 979 CA GLU A 61 -10.745 -5.982 -9.955 1.00 0.00 C ATOM 980 C GLU A 61 -11.485 -6.265 -11.283 1.00 0.00 C ATOM 981 O GLU A 61 -10.871 -6.311 -12.357 1.00 0.00 O ATOM 982 CB GLU A 61 -10.245 -7.299 -9.309 1.00 0.00 C ATOM 983 CG GLU A 61 -11.372 -8.216 -8.786 1.00 0.00 C ATOM 984 CD GLU A 61 -10.852 -9.536 -8.205 1.00 0.00 C ATOM 985 OE1 GLU A 61 -10.466 -10.423 -8.992 1.00 0.00 O ATOM 986 OE2 GLU A 61 -10.834 -9.705 -6.964 1.00 0.00 O ATOM 0 H GLU A 61 -11.752 -5.759 -8.122 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.888 -5.353 -10.196 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.655 -7.849 -10.042 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.578 -7.055 -8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.937 -7.686 -8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.064 -8.432 -9.600 1.00 0.00 H new ATOM 993 N GLU A 62 -12.813 -6.425 -11.181 1.00 0.00 N ATOM 994 CA GLU A 62 -13.708 -6.636 -12.327 1.00 0.00 C ATOM 995 C GLU A 62 -13.834 -5.364 -13.182 1.00 0.00 C ATOM 996 O GLU A 62 -14.004 -5.446 -14.402 1.00 0.00 O ATOM 997 CB GLU A 62 -15.103 -7.070 -11.814 1.00 0.00 C ATOM 998 CG GLU A 62 -15.122 -8.424 -11.078 1.00 0.00 C ATOM 999 CD GLU A 62 -14.789 -9.607 -11.999 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -15.704 -10.091 -12.705 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -13.623 -10.050 -12.044 1.00 0.00 O ATOM 0 H GLU A 62 -13.302 -6.411 -10.286 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.284 -7.419 -12.956 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.484 -6.301 -11.143 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.787 -7.122 -12.661 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.406 -8.396 -10.257 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.107 -8.579 -10.637 1.00 0.00 H new ATOM 1008 N TYR A 63 -13.746 -4.195 -12.530 1.00 0.00 N ATOM 1009 CA TYR A 63 -13.891 -2.885 -13.199 1.00 0.00 C ATOM 1010 C TYR A 63 -12.546 -2.231 -13.525 1.00 0.00 C ATOM 1011 O TYR A 63 -12.536 -1.057 -13.907 1.00 0.00 O ATOM 1012 CB TYR A 63 -14.756 -1.940 -12.334 1.00 0.00 C ATOM 1013 CG TYR A 63 -16.226 -2.361 -12.272 1.00 0.00 C ATOM 1014 CD1 TYR A 63 -16.875 -2.622 -11.076 1.00 0.00 C ATOM 1015 CD2 TYR A 63 -16.956 -2.504 -13.452 1.00 0.00 C ATOM 1016 CE1 TYR A 63 -18.193 -3.001 -11.056 1.00 0.00 C ATOM 1017 CE2 TYR A 63 -18.268 -2.879 -13.435 1.00 0.00 C ATOM 1018 CZ TYR A 63 -18.885 -3.135 -12.239 1.00 0.00 C ATOM 1019 OH TYR A 63 -20.195 -3.532 -12.223 1.00 0.00 O ATOM 0 H TYR A 63 -13.573 -4.127 -11.527 1.00 0.00 H new ATOM 0 HA TYR A 63 -14.388 -3.067 -14.152 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -14.350 -1.909 -11.323 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -14.690 -0.928 -12.735 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -16.335 -2.526 -10.146 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -16.473 -2.314 -14.399 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -18.687 -3.194 -10.115 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -18.817 -2.974 -14.360 1.00 0.00 H new ATOM 0 HH TYR A 63 -20.535 -3.575 -13.141 1.00 0.00 H new ATOM 1029 N ASN A 64 -11.434 -2.986 -13.381 1.00 0.00 N ATOM 1030 CA ASN A 64 -10.071 -2.510 -13.728 1.00 0.00 C ATOM 1031 C ASN A 64 -9.714 -1.250 -12.901 1.00 0.00 C ATOM 1032 O ASN A 64 -9.023 -0.333 -13.372 1.00 0.00 O ATOM 1033 CB ASN A 64 -9.957 -2.273 -15.276 1.00 0.00 C ATOM 1034 CG ASN A 64 -8.515 -2.136 -15.805 1.00 0.00 C ATOM 1035 OD1 ASN A 64 -7.864 -3.133 -16.118 1.00 0.00 O ATOM 1036 ND2 ASN A 64 -8.017 -0.911 -15.914 1.00 0.00 N ATOM 0 H ASN A 64 -11.453 -3.941 -13.022 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.340 -3.276 -13.468 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.441 -3.101 -15.793 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.511 -1.370 -15.533 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.069 -0.775 -16.266 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.582 -0.105 -15.646 1.00 0.00 H new ATOM 1043 N ILE A 65 -10.210 -1.221 -11.648 1.00 0.00 N ATOM 1044 CA ILE A 65 -9.937 -0.128 -10.708 1.00 0.00 C ATOM 1045 C ILE A 65 -8.475 -0.240 -10.240 1.00 0.00 C ATOM 1046 O ILE A 65 -8.182 -0.907 -9.253 1.00 0.00 O ATOM 1047 CB ILE A 65 -10.927 -0.151 -9.475 1.00 0.00 C ATOM 1048 CG1 ILE A 65 -12.414 -0.169 -9.952 1.00 0.00 C ATOM 1049 CG2 ILE A 65 -10.673 1.034 -8.511 1.00 0.00 C ATOM 1050 CD1 ILE A 65 -12.837 1.041 -10.749 1.00 0.00 C ATOM 0 H ILE A 65 -10.808 -1.953 -11.265 1.00 0.00 H new ATOM 0 HA ILE A 65 -10.095 0.824 -11.215 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.733 -1.070 -8.922 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -12.576 -1.061 -10.558 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -13.060 -0.255 -9.078 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -11.374 0.982 -7.678 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.653 0.982 -8.131 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -10.814 1.974 -9.045 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -13.884 0.940 -11.036 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -12.713 1.938 -10.142 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -12.221 1.120 -11.645 1.00 0.00 H new ATOM 1062 N THR A 66 -7.570 0.333 -11.041 1.00 0.00 N ATOM 1063 CA THR A 66 -6.114 0.285 -10.827 1.00 0.00 C ATOM 1064 C THR A 66 -5.588 1.633 -10.277 1.00 0.00 C ATOM 1065 O THR A 66 -6.282 2.642 -10.384 1.00 0.00 O ATOM 1066 CB THR A 66 -5.417 -0.110 -12.177 1.00 0.00 C ATOM 1067 OG1 THR A 66 -6.000 0.620 -13.278 1.00 0.00 O ATOM 1068 CG2 THR A 66 -5.519 -1.628 -12.438 1.00 0.00 C ATOM 0 H THR A 66 -7.833 0.856 -11.876 1.00 0.00 H new ATOM 0 HA THR A 66 -5.877 -0.468 -10.076 1.00 0.00 H new ATOM 0 HB THR A 66 -4.362 0.151 -12.094 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.554 0.364 -14.113 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.027 -1.869 -13.380 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.034 -2.170 -11.626 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.568 -1.918 -12.492 1.00 0.00 H new ATOM 1076 N PRO A 67 -4.352 1.675 -9.660 1.00 0.00 N ATOM 1077 CA PRO A 67 -3.830 2.908 -9.033 1.00 0.00 C ATOM 1078 C PRO A 67 -3.561 4.030 -10.063 1.00 0.00 C ATOM 1079 O PRO A 67 -2.951 3.794 -11.108 1.00 0.00 O ATOM 1080 CB PRO A 67 -2.526 2.440 -8.327 1.00 0.00 C ATOM 1081 CG PRO A 67 -2.099 1.223 -9.094 1.00 0.00 C ATOM 1082 CD PRO A 67 -3.384 0.549 -9.523 1.00 0.00 C ATOM 0 HA PRO A 67 -4.546 3.353 -8.342 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.760 3.215 -8.354 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.705 2.205 -7.278 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.491 1.495 -9.957 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.495 0.560 -8.475 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.259 0.013 -10.464 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.720 -0.178 -8.784 1.00 0.00 H new ATOM 1090 N GLY A 68 -4.034 5.246 -9.752 1.00 0.00 N ATOM 1091 CA GLY A 68 -3.821 6.416 -10.607 1.00 0.00 C ATOM 1092 C GLY A 68 -5.011 6.755 -11.491 1.00 0.00 C ATOM 1093 O GLY A 68 -4.899 7.625 -12.362 1.00 0.00 O ATOM 0 H GLY A 68 -4.570 5.442 -8.907 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.590 7.276 -9.979 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.950 6.239 -11.238 1.00 0.00 H new ATOM 1097 N VAL A 69 -6.163 6.097 -11.259 1.00 0.00 N ATOM 1098 CA VAL A 69 -7.416 6.389 -11.995 1.00 0.00 C ATOM 1099 C VAL A 69 -8.318 7.328 -11.176 1.00 0.00 C ATOM 1100 O VAL A 69 -8.133 7.475 -9.954 1.00 0.00 O ATOM 1101 CB VAL A 69 -8.201 5.075 -12.356 1.00 0.00 C ATOM 1102 CG1 VAL A 69 -7.327 4.113 -13.211 1.00 0.00 C ATOM 1103 CG2 VAL A 69 -8.763 4.373 -11.086 1.00 0.00 C ATOM 0 H VAL A 69 -6.255 5.355 -10.565 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.136 6.881 -12.927 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.059 5.362 -12.964 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.897 3.214 -13.444 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.038 4.610 -14.137 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.432 3.840 -12.651 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.299 3.469 -11.377 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.940 4.109 -10.422 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.445 5.048 -10.569 1.00 0.00 H new ATOM 1113 N THR A 70 -9.290 7.960 -11.860 1.00 0.00 N ATOM 1114 CA THR A 70 -10.277 8.841 -11.220 1.00 0.00 C ATOM 1115 C THR A 70 -11.700 8.296 -11.445 1.00 0.00 C ATOM 1116 O THR A 70 -12.192 8.236 -12.582 1.00 0.00 O ATOM 1117 CB THR A 70 -10.186 10.302 -11.770 1.00 0.00 C ATOM 1118 OG1 THR A 70 -8.824 10.745 -11.714 1.00 0.00 O ATOM 1119 CG2 THR A 70 -11.073 11.281 -10.965 1.00 0.00 C ATOM 0 H THR A 70 -9.411 7.873 -12.869 1.00 0.00 H new ATOM 0 HA THR A 70 -10.055 8.863 -10.153 1.00 0.00 H new ATOM 0 HB THR A 70 -10.546 10.293 -12.799 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.763 11.660 -12.060 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.979 12.284 -11.382 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.113 10.960 -11.022 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.753 11.289 -9.923 1.00 0.00 H new ATOM 1127 N LEU A 71 -12.307 7.840 -10.348 1.00 0.00 N ATOM 1128 CA LEU A 71 -13.746 7.563 -10.249 1.00 0.00 C ATOM 1129 C LEU A 71 -14.502 8.890 -10.095 1.00 0.00 C ATOM 1130 O LEU A 71 -13.908 9.925 -9.777 1.00 0.00 O ATOM 1131 CB LEU A 71 -14.035 6.619 -9.036 1.00 0.00 C ATOM 1132 CG LEU A 71 -13.778 5.082 -9.243 1.00 0.00 C ATOM 1133 CD1 LEU A 71 -12.418 4.774 -9.906 1.00 0.00 C ATOM 1134 CD2 LEU A 71 -13.902 4.336 -7.898 1.00 0.00 C ATOM 0 H LEU A 71 -11.803 7.648 -9.483 1.00 0.00 H new ATOM 0 HA LEU A 71 -14.085 7.060 -11.154 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.426 6.953 -8.196 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -15.078 6.751 -8.746 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.544 4.728 -9.933 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.304 3.696 -10.019 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.375 5.249 -10.886 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.613 5.160 -9.281 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.722 3.272 -8.054 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.168 4.729 -7.195 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.904 4.479 -7.494 1.00 0.00 H new ATOM 1146 N GLU A 72 -15.814 8.850 -10.322 1.00 0.00 N ATOM 1147 CA GLU A 72 -16.679 10.036 -10.301 1.00 0.00 C ATOM 1148 C GLU A 72 -17.968 9.716 -9.542 1.00 0.00 C ATOM 1149 O GLU A 72 -18.352 8.548 -9.429 1.00 0.00 O ATOM 1150 CB GLU A 72 -17.012 10.488 -11.752 1.00 0.00 C ATOM 1151 CG GLU A 72 -15.786 10.796 -12.639 1.00 0.00 C ATOM 1152 CD GLU A 72 -16.159 11.191 -14.074 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -16.177 12.407 -14.385 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -16.448 10.291 -14.896 1.00 0.00 O ATOM 0 H GLU A 72 -16.315 7.986 -10.528 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.156 10.849 -9.797 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.602 9.708 -12.233 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.639 11.378 -11.704 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.211 11.603 -12.185 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.138 9.920 -12.667 1.00 0.00 H new ATOM 1161 N LEU A 73 -18.616 10.753 -9.009 1.00 0.00 N ATOM 1162 CA LEU A 73 -19.933 10.645 -8.369 1.00 0.00 C ATOM 1163 C LEU A 73 -20.948 11.444 -9.171 1.00 0.00 C ATOM 1164 O LEU A 73 -20.883 12.676 -9.228 1.00 0.00 O ATOM 1165 CB LEU A 73 -19.884 11.119 -6.893 1.00 0.00 C ATOM 1166 CG LEU A 73 -19.066 10.208 -5.926 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -19.090 10.758 -4.480 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -19.570 8.739 -5.989 1.00 0.00 C ATOM 0 H LEU A 73 -18.240 11.701 -9.008 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.235 9.598 -8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -19.460 12.123 -6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -20.905 11.193 -6.519 1.00 0.00 H new ATOM 0 HG LEU A 73 -18.027 10.215 -6.256 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.511 10.101 -3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.656 11.758 -4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -20.120 10.803 -4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -18.984 8.124 -5.306 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.620 8.702 -5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.459 8.360 -7.005 1.00 0.00 H new ATOM 1180 N LYS A 74 -21.844 10.718 -9.846 1.00 0.00 N ATOM 1181 CA LYS A 74 -22.979 11.293 -10.584 1.00 0.00 C ATOM 1182 C LYS A 74 -24.238 11.150 -9.724 1.00 0.00 C ATOM 1183 O LYS A 74 -24.401 10.133 -9.040 1.00 0.00 O ATOM 1184 CB LYS A 74 -23.154 10.572 -11.959 1.00 0.00 C ATOM 1185 CG LYS A 74 -22.262 11.100 -13.118 1.00 0.00 C ATOM 1186 CD LYS A 74 -20.745 11.074 -12.812 1.00 0.00 C ATOM 1187 CE LYS A 74 -19.887 11.481 -14.014 1.00 0.00 C ATOM 1188 NZ LYS A 74 -20.202 12.842 -14.496 1.00 0.00 N ATOM 0 H LYS A 74 -21.803 9.700 -9.898 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.798 12.348 -10.788 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -22.947 9.511 -11.821 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -24.198 10.656 -12.262 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.452 10.502 -14.009 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -22.557 12.123 -13.352 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -20.536 11.745 -11.979 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.461 10.071 -12.492 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.834 11.431 -13.739 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -20.039 10.767 -14.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -19.540 13.104 -15.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.175 12.864 -14.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.114 13.518 -13.710 1.00 0.00 H new ATOM 1202 N THR A 75 -25.109 12.176 -9.753 1.00 0.00 N ATOM 1203 CA THR A 75 -26.355 12.187 -8.976 1.00 0.00 C ATOM 1204 C THR A 75 -27.287 11.042 -9.426 1.00 0.00 C ATOM 1205 O THR A 75 -27.780 11.028 -10.563 1.00 0.00 O ATOM 1206 CB THR A 75 -27.096 13.560 -9.093 1.00 0.00 C ATOM 1207 OG1 THR A 75 -27.218 13.933 -10.477 1.00 0.00 O ATOM 1208 CG2 THR A 75 -26.378 14.684 -8.316 1.00 0.00 C ATOM 0 H THR A 75 -24.966 13.016 -10.314 1.00 0.00 H new ATOM 0 HA THR A 75 -26.088 12.037 -7.930 1.00 0.00 H new ATOM 0 HB THR A 75 -28.083 13.433 -8.649 1.00 0.00 H new ATOM 0 HG1 THR A 75 -27.409 13.136 -11.015 1.00 0.00 H new ATOM 0 HG21 THR A 75 -26.932 15.616 -8.429 1.00 0.00 H new ATOM 0 HG22 THR A 75 -26.325 14.420 -7.260 1.00 0.00 H new ATOM 0 HG23 THR A 75 -25.370 14.811 -8.710 1.00 0.00 H new ATOM 1216 N ARG A 76 -27.466 10.074 -8.525 1.00 0.00 N ATOM 1217 CA ARG A 76 -28.340 8.917 -8.719 1.00 0.00 C ATOM 1218 C ARG A 76 -29.805 9.337 -8.560 1.00 0.00 C ATOM 1219 O ARG A 76 -30.376 9.275 -7.460 1.00 0.00 O ATOM 1220 CB ARG A 76 -27.953 7.792 -7.713 1.00 0.00 C ATOM 1221 CG ARG A 76 -28.748 6.472 -7.839 1.00 0.00 C ATOM 1222 CD ARG A 76 -28.221 5.382 -6.885 1.00 0.00 C ATOM 1223 NE ARG A 76 -29.076 4.185 -6.884 1.00 0.00 N ATOM 1224 CZ ARG A 76 -29.804 3.737 -5.844 1.00 0.00 C ATOM 1225 NH1 ARG A 76 -29.823 4.400 -4.701 1.00 0.00 N ATOM 1226 NH2 ARG A 76 -30.498 2.624 -5.957 1.00 0.00 N ATOM 0 H ARG A 76 -26.996 10.073 -7.620 1.00 0.00 H new ATOM 0 HA ARG A 76 -28.214 8.525 -9.728 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -26.893 7.569 -7.837 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -28.081 8.176 -6.701 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -29.800 6.662 -7.626 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -28.691 6.112 -8.866 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -27.209 5.103 -7.178 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -28.161 5.784 -5.874 1.00 0.00 H new ATOM 0 HE ARG A 76 -29.121 3.646 -7.749 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -29.283 5.259 -4.601 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -30.378 4.052 -3.919 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -30.484 2.101 -6.833 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -31.050 2.285 -5.169 1.00 0.00 H new