USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 753 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 43 ASN : amide:sc= -1.16 K(o=-2.4,f=-6.5!) USER MOD Set 1.2: A 68 TYR OH : rot -149:sc= -1.28 USER MOD Set 2.1: A 29 HIS : no HD1:sc= -2.08 X(o=-4.4,f=-4.6) USER MOD Set 2.2: A 49 LYS NZ :NH3+ -175:sc= -2.33! (180deg=-2.17!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 132:sc= -0.0678 (180deg=-1.09) USER MOD Single : A 4 THR OG1 : rot 170:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.623 K(o=-0.62,f=-1.4) USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= -3.78! (180deg=-4.19!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.48 K(o=-1.5,f=-3.3!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.28 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.16) USER MOD Single : A 62 GLN : amide:sc= -1.18 X(o=-1.2,f=-0.71) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 67 THR OG1 : rot -9:sc= -0.276 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 89 LYS NZ :NH3+ -142:sc= 1.42 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.440 -21.264 -13.779 1.00 0.00 N ATOM 2 CA MET A 1 -0.242 -19.852 -13.348 1.00 0.00 C ATOM 3 C MET A 1 0.172 -19.828 -11.884 1.00 0.00 C ATOM 4 O MET A 1 0.348 -20.877 -11.262 1.00 0.00 O ATOM 5 CB MET A 1 -1.553 -19.077 -13.544 1.00 0.00 C ATOM 6 CG MET A 1 -2.675 -19.667 -12.660 1.00 0.00 C ATOM 7 SD MET A 1 -2.565 -18.984 -10.984 1.00 0.00 S ATOM 8 CE MET A 1 -4.184 -19.542 -10.401 1.00 0.00 C ATOM 0 H1 MET A 1 -1.345 -21.349 -14.284 1.00 0.00 H new ATOM 0 H2 MET A 1 0.337 -21.546 -14.410 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.450 -21.884 -12.944 1.00 0.00 H new ATOM 0 HA MET A 1 0.541 -19.384 -13.945 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.401 -18.027 -13.294 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.851 -19.116 -14.592 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.649 -19.437 -13.092 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.590 -20.753 -12.626 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.329 -19.223 -9.369 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.965 -19.110 -11.027 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.235 -20.629 -10.456 1.00 0.00 H new ATOM 20 N GLU A 2 0.327 -18.627 -11.333 1.00 0.00 N ATOM 21 CA GLU A 2 0.720 -18.489 -9.936 1.00 0.00 C ATOM 22 C GLU A 2 0.603 -17.024 -9.486 1.00 0.00 C ATOM 23 O GLU A 2 0.825 -16.116 -10.287 1.00 0.00 O ATOM 24 CB GLU A 2 2.161 -18.975 -9.766 1.00 0.00 C ATOM 25 CG GLU A 2 3.071 -18.253 -10.766 1.00 0.00 C ATOM 26 CD GLU A 2 4.515 -18.707 -10.582 1.00 0.00 C ATOM 27 OE1 GLU A 2 4.788 -19.868 -10.841 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.327 -17.887 -10.186 1.00 0.00 O ATOM 0 H GLU A 2 0.188 -17.745 -11.827 1.00 0.00 H new ATOM 0 HA GLU A 2 0.055 -19.092 -9.318 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.501 -18.786 -8.748 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.213 -20.052 -9.924 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.743 -18.461 -11.784 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.999 -17.175 -10.622 1.00 0.00 H new ATOM 35 N PRO A 3 0.273 -16.766 -8.236 1.00 0.00 N ATOM 36 CA PRO A 3 0.147 -15.369 -7.717 1.00 0.00 C ATOM 37 C PRO A 3 1.504 -14.684 -7.594 1.00 0.00 C ATOM 38 O PRO A 3 2.547 -15.338 -7.572 1.00 0.00 O ATOM 39 CB PRO A 3 -0.520 -15.553 -6.342 1.00 0.00 C ATOM 40 CG PRO A 3 -0.060 -16.904 -5.898 1.00 0.00 C ATOM 41 CD PRO A 3 -0.013 -17.755 -7.176 1.00 0.00 C ATOM 0 HA PRO A 3 -0.428 -14.726 -8.384 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.213 -14.776 -5.642 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.606 -15.505 -6.415 1.00 0.00 H new ATOM 0 HG2 PRO A 3 0.920 -16.850 -5.425 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -0.744 -17.332 -5.165 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.761 -18.520 -7.121 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.958 -18.270 -7.351 1.00 0.00 H new ATOM 49 N THR A 4 1.472 -13.361 -7.514 1.00 0.00 N ATOM 50 CA THR A 4 2.691 -12.570 -7.391 1.00 0.00 C ATOM 51 C THR A 4 3.168 -12.574 -5.946 1.00 0.00 C ATOM 52 O THR A 4 2.436 -12.977 -5.042 1.00 0.00 O ATOM 53 CB THR A 4 2.412 -11.127 -7.835 1.00 0.00 C ATOM 54 OG1 THR A 4 1.752 -10.434 -6.785 1.00 0.00 O ATOM 55 CG2 THR A 4 1.516 -11.138 -9.078 1.00 0.00 C ATOM 0 H THR A 4 0.613 -12.811 -7.532 1.00 0.00 H new ATOM 0 HA THR A 4 3.465 -13.004 -8.024 1.00 0.00 H new ATOM 0 HB THR A 4 3.353 -10.629 -8.070 1.00 0.00 H new ATOM 0 HG1 THR A 4 1.716 -9.478 -6.996 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.318 -10.113 -9.393 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.018 -11.675 -9.883 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.574 -11.634 -8.843 1.00 0.00 H new ATOM 63 N ALA A 5 4.401 -12.129 -5.733 1.00 0.00 N ATOM 64 CA ALA A 5 4.970 -12.091 -4.390 1.00 0.00 C ATOM 65 C ALA A 5 6.200 -11.189 -4.363 1.00 0.00 C ATOM 66 O ALA A 5 7.262 -11.553 -4.868 1.00 0.00 O ATOM 67 CB ALA A 5 5.350 -13.507 -3.953 1.00 0.00 C ATOM 0 H ALA A 5 5.023 -11.791 -6.468 1.00 0.00 H new ATOM 0 HA ALA A 5 4.228 -11.689 -3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.775 -13.476 -2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.461 -14.138 -3.952 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.085 -13.917 -4.646 1.00 0.00 H new ATOM 73 N PHE A 6 6.042 -10.005 -3.772 1.00 0.00 N ATOM 74 CA PHE A 6 7.139 -9.041 -3.682 1.00 0.00 C ATOM 75 C PHE A 6 8.080 -9.412 -2.541 1.00 0.00 C ATOM 76 O PHE A 6 7.638 -9.763 -1.447 1.00 0.00 O ATOM 77 CB PHE A 6 6.567 -7.643 -3.440 1.00 0.00 C ATOM 78 CG PHE A 6 5.570 -7.311 -4.533 1.00 0.00 C ATOM 79 CD1 PHE A 6 4.225 -7.676 -4.385 1.00 0.00 C ATOM 80 CD2 PHE A 6 5.987 -6.640 -5.691 1.00 0.00 C ATOM 81 CE1 PHE A 6 3.302 -7.373 -5.391 1.00 0.00 C ATOM 82 CE2 PHE A 6 5.061 -6.336 -6.697 1.00 0.00 C ATOM 83 CZ PHE A 6 3.719 -6.702 -6.547 1.00 0.00 C ATOM 0 H PHE A 6 5.168 -9.691 -3.350 1.00 0.00 H new ATOM 0 HA PHE A 6 7.699 -9.054 -4.617 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.082 -7.600 -2.465 1.00 0.00 H new ATOM 0 HB3 PHE A 6 7.370 -6.906 -3.429 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.901 -8.192 -3.493 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.023 -6.357 -5.808 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.266 -7.657 -5.276 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.383 -5.819 -7.589 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.005 -6.467 -7.323 1.00 0.00 H new ATOM 93 N SER A 7 9.385 -9.331 -2.807 1.00 0.00 N ATOM 94 CA SER A 7 10.405 -9.660 -1.804 1.00 0.00 C ATOM 95 C SER A 7 10.840 -8.407 -1.049 1.00 0.00 C ATOM 96 O SER A 7 10.277 -7.330 -1.235 1.00 0.00 O ATOM 97 CB SER A 7 11.620 -10.282 -2.490 1.00 0.00 C ATOM 98 OG SER A 7 11.225 -11.483 -3.142 1.00 0.00 O ATOM 0 H SER A 7 9.763 -9.040 -3.709 1.00 0.00 H new ATOM 0 HA SER A 7 9.977 -10.369 -1.095 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.042 -9.584 -3.213 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.399 -10.491 -1.757 1.00 0.00 H new ATOM 0 HG SER A 7 12.001 -11.885 -3.585 1.00 0.00 H new ATOM 104 N GLY A 8 11.841 -8.559 -0.193 1.00 0.00 N ATOM 105 CA GLY A 8 12.343 -7.434 0.586 1.00 0.00 C ATOM 106 C GLY A 8 12.991 -6.387 -0.313 1.00 0.00 C ATOM 107 O GLY A 8 12.831 -5.185 -0.101 1.00 0.00 O ATOM 0 H GLY A 8 12.319 -9.443 -0.020 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.524 -6.981 1.145 1.00 0.00 H new ATOM 0 HA3 GLY A 8 13.069 -7.789 1.317 1.00 0.00 H new ATOM 111 N SER A 9 13.735 -6.851 -1.315 1.00 0.00 N ATOM 112 CA SER A 9 14.413 -5.947 -2.240 1.00 0.00 C ATOM 113 C SER A 9 13.409 -5.254 -3.153 1.00 0.00 C ATOM 114 O SER A 9 13.673 -4.166 -3.669 1.00 0.00 O ATOM 115 CB SER A 9 15.423 -6.725 -3.086 1.00 0.00 C ATOM 116 OG SER A 9 14.744 -7.743 -3.809 1.00 0.00 O ATOM 0 H SER A 9 13.883 -7.842 -1.506 1.00 0.00 H new ATOM 0 HA SER A 9 14.935 -5.189 -1.656 1.00 0.00 H new ATOM 0 HB2 SER A 9 15.933 -6.052 -3.775 1.00 0.00 H new ATOM 0 HB3 SER A 9 16.188 -7.166 -2.446 1.00 0.00 H new ATOM 0 HG SER A 9 15.388 -8.242 -4.354 1.00 0.00 H new ATOM 122 N ASP A 10 12.256 -5.884 -3.346 1.00 0.00 N ATOM 123 CA ASP A 10 11.219 -5.310 -4.195 1.00 0.00 C ATOM 124 C ASP A 10 10.652 -4.064 -3.527 1.00 0.00 C ATOM 125 O ASP A 10 10.618 -3.976 -2.299 1.00 0.00 O ATOM 126 CB ASP A 10 10.101 -6.332 -4.431 1.00 0.00 C ATOM 127 CG ASP A 10 10.616 -7.487 -5.285 1.00 0.00 C ATOM 128 OD1 ASP A 10 11.672 -7.339 -5.880 1.00 0.00 O ATOM 129 OD2 ASP A 10 9.945 -8.506 -5.332 1.00 0.00 O ATOM 0 H ASP A 10 12.017 -6.784 -2.930 1.00 0.00 H new ATOM 0 HA ASP A 10 11.653 -5.041 -5.158 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.736 -6.710 -3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.257 -5.851 -4.926 1.00 0.00 H new ATOM 134 N VAL A 11 10.230 -3.090 -4.342 1.00 0.00 N ATOM 135 CA VAL A 11 9.682 -1.823 -3.830 1.00 0.00 C ATOM 136 C VAL A 11 8.322 -1.508 -4.491 1.00 0.00 C ATOM 137 O VAL A 11 8.225 -1.510 -5.718 1.00 0.00 O ATOM 138 CB VAL A 11 10.670 -0.683 -4.132 1.00 0.00 C ATOM 139 CG1 VAL A 11 11.962 -0.903 -3.335 1.00 0.00 C ATOM 140 CG2 VAL A 11 10.996 -0.635 -5.641 1.00 0.00 C ATOM 0 H VAL A 11 10.257 -3.153 -5.360 1.00 0.00 H new ATOM 0 HA VAL A 11 9.534 -1.916 -2.754 1.00 0.00 H new ATOM 0 HB VAL A 11 10.214 0.264 -3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.663 -0.096 -3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.735 -0.914 -2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 11 12.408 -1.856 -3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.696 0.177 -5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.443 -1.581 -5.947 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.079 -0.467 -6.206 1.00 0.00 H new ATOM 150 N PRO A 12 7.267 -1.242 -3.733 1.00 0.00 N ATOM 151 CA PRO A 12 5.929 -0.925 -4.328 1.00 0.00 C ATOM 152 C PRO A 12 5.859 0.509 -4.869 1.00 0.00 C ATOM 153 O PRO A 12 6.585 1.390 -4.412 1.00 0.00 O ATOM 154 CB PRO A 12 4.963 -1.133 -3.147 1.00 0.00 C ATOM 155 CG PRO A 12 5.770 -0.764 -1.941 1.00 0.00 C ATOM 156 CD PRO A 12 7.209 -1.212 -2.248 1.00 0.00 C ATOM 0 HA PRO A 12 5.695 -1.550 -5.190 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.078 -0.504 -3.241 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.616 -2.165 -3.093 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.726 0.309 -1.754 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.388 -1.259 -1.048 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.940 -0.518 -1.834 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.422 -2.192 -1.820 1.00 0.00 H new ATOM 164 N ARG A 13 4.966 0.734 -5.838 1.00 0.00 N ATOM 165 CA ARG A 13 4.793 2.065 -6.425 1.00 0.00 C ATOM 166 C ARG A 13 3.392 2.201 -7.029 1.00 0.00 C ATOM 167 O ARG A 13 2.942 1.327 -7.769 1.00 0.00 O ATOM 168 CB ARG A 13 5.870 2.302 -7.494 1.00 0.00 C ATOM 169 CG ARG A 13 5.745 3.721 -8.054 1.00 0.00 C ATOM 170 CD ARG A 13 6.896 3.994 -9.024 1.00 0.00 C ATOM 171 NE ARG A 13 6.865 5.387 -9.451 1.00 0.00 N ATOM 172 CZ ARG A 13 5.945 5.823 -10.307 1.00 0.00 C ATOM 173 NH1 ARG A 13 5.929 7.077 -10.665 1.00 0.00 N ATOM 174 NH2 ARG A 13 5.062 4.995 -10.793 1.00 0.00 N ATOM 0 H ARG A 13 4.356 0.017 -6.230 1.00 0.00 H new ATOM 0 HA ARG A 13 4.901 2.818 -5.644 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.861 2.158 -7.063 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.763 1.574 -8.298 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.790 3.838 -8.566 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.762 4.446 -7.241 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.849 3.773 -8.543 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.817 3.337 -9.890 1.00 0.00 H new ATOM 0 HE ARG A 13 7.560 6.039 -9.087 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.622 7.724 -10.289 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.223 7.411 -11.321 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.077 4.013 -10.517 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.356 5.329 -11.449 1.00 0.00 H new ATOM 188 N LEU A 14 2.703 3.296 -6.698 1.00 0.00 N ATOM 189 CA LEU A 14 1.346 3.539 -7.200 1.00 0.00 C ATOM 190 C LEU A 14 1.358 3.828 -8.711 1.00 0.00 C ATOM 191 O LEU A 14 1.875 4.873 -9.118 1.00 0.00 O ATOM 192 CB LEU A 14 0.740 4.732 -6.458 1.00 0.00 C ATOM 193 CG LEU A 14 0.834 4.515 -4.937 1.00 0.00 C ATOM 194 CD1 LEU A 14 0.173 5.700 -4.230 1.00 0.00 C ATOM 195 CD2 LEU A 14 0.133 3.195 -4.524 1.00 0.00 C ATOM 0 H LEU A 14 3.061 4.028 -6.085 1.00 0.00 H new ATOM 0 HA LEU A 14 0.747 2.645 -7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.264 5.647 -6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.302 4.861 -6.751 1.00 0.00 H new ATOM 0 HG LEU A 14 1.883 4.444 -4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.233 5.559 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.688 6.621 -4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.873 5.766 -4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.212 3.063 -3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.918 3.237 -4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.612 2.356 -5.028 1.00 0.00 H new ATOM 207 N PRO A 15 0.789 2.961 -9.551 1.00 0.00 N ATOM 208 CA PRO A 15 0.760 3.196 -11.039 1.00 0.00 C ATOM 209 C PRO A 15 0.016 4.475 -11.450 1.00 0.00 C ATOM 210 O PRO A 15 -0.879 4.943 -10.760 1.00 0.00 O ATOM 211 CB PRO A 15 0.025 1.956 -11.599 1.00 0.00 C ATOM 212 CG PRO A 15 0.204 0.931 -10.544 1.00 0.00 C ATOM 213 CD PRO A 15 0.120 1.677 -9.224 1.00 0.00 C ATOM 0 HA PRO A 15 1.771 3.330 -11.424 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.030 2.164 -11.779 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.453 1.632 -12.548 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.567 0.164 -10.609 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.165 0.427 -10.648 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.911 1.824 -8.904 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.630 1.144 -8.421 1.00 0.00 H new ATOM 221 N ARG A 16 0.390 5.010 -12.599 1.00 0.00 N ATOM 222 CA ARG A 16 -0.253 6.213 -13.121 1.00 0.00 C ATOM 223 C ARG A 16 -1.776 6.048 -13.153 1.00 0.00 C ATOM 224 O ARG A 16 -2.302 5.036 -13.625 1.00 0.00 O ATOM 225 CB ARG A 16 0.265 6.489 -14.538 1.00 0.00 C ATOM 226 CG ARG A 16 -0.294 7.819 -15.049 1.00 0.00 C ATOM 227 CD ARG A 16 0.266 8.121 -16.440 1.00 0.00 C ATOM 228 NE ARG A 16 -0.155 9.455 -16.859 1.00 0.00 N ATOM 229 CZ ARG A 16 -1.417 9.699 -17.197 1.00 0.00 C ATOM 230 NH1 ARG A 16 -1.784 10.904 -17.534 1.00 0.00 N ATOM 231 NH2 ARG A 16 -2.292 8.730 -17.184 1.00 0.00 N ATOM 0 H ARG A 16 1.132 4.636 -13.190 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.012 7.051 -12.466 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.355 6.519 -14.536 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.030 5.680 -15.206 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.382 7.775 -15.088 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.032 8.622 -14.360 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.354 8.060 -16.426 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.086 7.377 -17.154 1.00 0.00 H new ATOM 0 HE ARG A 16 0.529 10.211 -16.893 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.102 11.662 -17.539 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.753 11.088 -17.793 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.006 7.789 -16.915 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.261 8.915 -17.443 1.00 0.00 H new ATOM 245 N GLY A 17 -2.473 7.067 -12.645 1.00 0.00 N ATOM 246 CA GLY A 17 -3.939 7.076 -12.598 1.00 0.00 C ATOM 247 C GLY A 17 -4.427 6.591 -11.240 1.00 0.00 C ATOM 248 O GLY A 17 -5.621 6.643 -10.938 1.00 0.00 O ATOM 0 H GLY A 17 -2.041 7.905 -12.256 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.309 8.084 -12.787 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.339 6.437 -13.385 1.00 0.00 H new ATOM 252 N VAL A 18 -3.478 6.132 -10.414 1.00 0.00 N ATOM 253 CA VAL A 18 -3.786 5.643 -9.061 1.00 0.00 C ATOM 254 C VAL A 18 -3.311 6.663 -8.033 1.00 0.00 C ATOM 255 O VAL A 18 -2.159 7.105 -8.053 1.00 0.00 O ATOM 256 CB VAL A 18 -3.096 4.296 -8.803 1.00 0.00 C ATOM 257 CG1 VAL A 18 -3.535 3.748 -7.442 1.00 0.00 C ATOM 258 CG2 VAL A 18 -3.479 3.300 -9.910 1.00 0.00 C ATOM 0 H VAL A 18 -2.489 6.088 -10.658 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.864 5.505 -8.975 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.015 4.437 -8.804 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.045 2.792 -7.260 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.257 4.453 -6.659 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.616 3.608 -7.438 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.988 2.344 -9.725 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.560 3.158 -9.914 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.161 3.690 -10.877 1.00 0.00 H new ATOM 268 N ARG A 19 -4.222 7.042 -7.141 1.00 0.00 N ATOM 269 CA ARG A 19 -3.942 8.024 -6.093 1.00 0.00 C ATOM 270 C ARG A 19 -4.643 7.632 -4.798 1.00 0.00 C ATOM 271 O ARG A 19 -5.602 6.859 -4.810 1.00 0.00 O ATOM 272 CB ARG A 19 -4.414 9.401 -6.564 1.00 0.00 C ATOM 273 CG ARG A 19 -5.894 9.333 -6.964 1.00 0.00 C ATOM 274 CD ARG A 19 -6.308 10.656 -7.605 1.00 0.00 C ATOM 275 NE ARG A 19 -7.727 10.628 -7.951 1.00 0.00 N ATOM 276 CZ ARG A 19 -8.256 11.527 -8.778 1.00 0.00 C ATOM 277 NH1 ARG A 19 -9.527 11.479 -9.068 1.00 0.00 N ATOM 278 NH2 ARG A 19 -7.501 12.454 -9.300 1.00 0.00 N ATOM 0 H ARG A 19 -5.175 6.679 -7.123 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.870 8.056 -5.898 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.276 10.135 -5.770 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.813 9.732 -7.411 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.056 8.512 -7.662 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.510 9.132 -6.087 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.110 11.479 -6.918 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.712 10.837 -8.499 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.325 9.905 -7.551 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.116 10.752 -8.661 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.932 12.168 -9.702 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.507 12.489 -9.074 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.905 13.144 -9.934 1.00 0.00 H new ATOM 292 N LEU A 20 -4.150 8.158 -3.675 1.00 0.00 N ATOM 293 CA LEU A 20 -4.722 7.845 -2.361 1.00 0.00 C ATOM 294 C LEU A 20 -5.734 8.911 -1.945 1.00 0.00 C ATOM 295 O LEU A 20 -5.359 10.028 -1.588 1.00 0.00 O ATOM 296 CB LEU A 20 -3.596 7.783 -1.316 1.00 0.00 C ATOM 297 CG LEU A 20 -2.395 7.001 -1.868 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.341 6.864 -0.761 1.00 0.00 C ATOM 299 CD2 LEU A 20 -2.841 5.606 -2.351 1.00 0.00 C ATOM 0 H LEU A 20 -3.359 8.801 -3.647 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.230 6.883 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.287 8.793 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.961 7.306 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.970 7.537 -2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.483 6.310 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.020 7.855 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.771 6.330 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.980 5.063 -2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.272 5.053 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.587 5.715 -3.138 1.00 0.00 H new ATOM 311 N ARG A 21 -7.017 8.553 -1.978 1.00 0.00 N ATOM 312 CA ARG A 21 -8.088 9.477 -1.587 1.00 0.00 C ATOM 313 C ARG A 21 -8.525 9.207 -0.155 1.00 0.00 C ATOM 314 O ARG A 21 -8.670 8.055 0.255 1.00 0.00 O ATOM 315 CB ARG A 21 -9.286 9.314 -2.523 1.00 0.00 C ATOM 316 CG ARG A 21 -8.889 9.747 -3.933 1.00 0.00 C ATOM 317 CD ARG A 21 -10.065 9.527 -4.879 1.00 0.00 C ATOM 318 NE ARG A 21 -11.192 10.362 -4.480 1.00 0.00 N ATOM 319 CZ ARG A 21 -12.368 10.270 -5.091 1.00 0.00 C ATOM 320 NH1 ARG A 21 -13.359 11.029 -4.713 1.00 0.00 N ATOM 321 NH2 ARG A 21 -12.531 9.419 -6.067 1.00 0.00 N ATOM 0 H ARG A 21 -7.343 7.632 -2.271 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.708 10.496 -1.657 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.618 8.276 -2.529 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.123 9.915 -2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.598 10.797 -3.935 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.024 9.176 -4.271 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.769 9.765 -5.901 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.359 8.477 -4.869 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.075 11.029 -3.717 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.231 11.692 -3.949 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.262 10.959 -5.181 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.756 8.825 -6.360 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.434 9.348 -6.536 1.00 0.00 H new ATOM 335 N PHE A 22 -8.744 10.282 0.605 1.00 0.00 N ATOM 336 CA PHE A 22 -9.177 10.168 2.001 1.00 0.00 C ATOM 337 C PHE A 22 -10.680 10.403 2.106 1.00 0.00 C ATOM 338 O PHE A 22 -11.170 11.497 1.833 1.00 0.00 O ATOM 339 CB PHE A 22 -8.424 11.190 2.859 1.00 0.00 C ATOM 340 CG PHE A 22 -8.756 12.589 2.387 1.00 0.00 C ATOM 341 CD1 PHE A 22 -9.711 13.361 3.067 1.00 0.00 C ATOM 342 CD2 PHE A 22 -8.110 13.110 1.261 1.00 0.00 C ATOM 343 CE1 PHE A 22 -10.015 14.651 2.618 1.00 0.00 C ATOM 344 CE2 PHE A 22 -8.414 14.401 0.813 1.00 0.00 C ATOM 345 CZ PHE A 22 -9.366 15.171 1.492 1.00 0.00 C ATOM 0 H PHE A 22 -8.629 11.241 0.278 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.955 9.164 2.362 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.699 11.074 3.907 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.350 11.017 2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -10.211 12.960 3.936 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.376 12.516 0.737 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -10.750 15.245 3.140 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -7.914 14.803 -0.056 1.00 0.00 H new ATOM 0 HZ PHE A 22 -9.600 16.167 1.147 1.00 0.00 H new ATOM 355 N ASP A 23 -11.413 9.361 2.502 1.00 0.00 N ATOM 356 CA ASP A 23 -12.867 9.454 2.643 1.00 0.00 C ATOM 357 C ASP A 23 -13.223 9.940 4.044 1.00 0.00 C ATOM 358 O ASP A 23 -13.362 9.144 4.971 1.00 0.00 O ATOM 359 CB ASP A 23 -13.499 8.077 2.396 1.00 0.00 C ATOM 360 CG ASP A 23 -13.351 7.684 0.926 1.00 0.00 C ATOM 361 OD1 ASP A 23 -13.025 8.549 0.128 1.00 0.00 O ATOM 362 OD2 ASP A 23 -13.567 6.523 0.622 1.00 0.00 O ATOM 0 H ASP A 23 -11.025 8.446 2.730 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.252 10.164 1.911 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.020 7.330 3.030 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.554 8.099 2.670 1.00 0.00 H new ATOM 367 N GLU A 24 -13.365 11.252 4.188 1.00 0.00 N ATOM 368 CA GLU A 24 -13.700 11.835 5.480 1.00 0.00 C ATOM 369 C GLU A 24 -15.043 11.302 5.965 1.00 0.00 C ATOM 370 O GLU A 24 -15.254 11.118 7.163 1.00 0.00 O ATOM 371 CB GLU A 24 -13.757 13.361 5.361 1.00 0.00 C ATOM 372 CG GLU A 24 -13.969 13.983 6.746 1.00 0.00 C ATOM 373 CD GLU A 24 -13.925 15.505 6.650 1.00 0.00 C ATOM 374 OE1 GLU A 24 -13.467 16.006 5.636 1.00 0.00 O ATOM 375 OE2 GLU A 24 -14.352 16.148 7.595 1.00 0.00 O ATOM 0 H GLU A 24 -13.254 11.928 3.432 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.931 11.560 6.202 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.832 13.735 4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.568 13.653 4.693 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.928 13.664 7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.199 13.632 7.433 1.00 0.00 H new ATOM 382 N VAL A 25 -15.946 11.055 5.024 1.00 0.00 N ATOM 383 CA VAL A 25 -17.268 10.542 5.363 1.00 0.00 C ATOM 384 C VAL A 25 -17.155 9.154 6.002 1.00 0.00 C ATOM 385 O VAL A 25 -17.826 8.867 6.994 1.00 0.00 O ATOM 386 CB VAL A 25 -18.154 10.480 4.088 1.00 0.00 C ATOM 387 CG1 VAL A 25 -18.787 11.855 3.813 1.00 0.00 C ATOM 388 CG2 VAL A 25 -17.293 10.070 2.873 1.00 0.00 C ATOM 0 H VAL A 25 -15.789 11.200 4.027 1.00 0.00 H new ATOM 0 HA VAL A 25 -17.733 11.215 6.084 1.00 0.00 H new ATOM 0 HB VAL A 25 -18.942 9.744 4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -19.405 11.798 2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -19.405 12.148 4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.000 12.595 3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.919 10.028 1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.500 10.803 2.725 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.852 9.090 3.054 1.00 0.00 H new ATOM 398 N ARG A 26 -16.309 8.293 5.432 1.00 0.00 N ATOM 399 CA ARG A 26 -16.127 6.937 5.964 1.00 0.00 C ATOM 400 C ARG A 26 -15.026 6.928 7.028 1.00 0.00 C ATOM 401 O ARG A 26 -14.811 5.921 7.704 1.00 0.00 O ATOM 402 CB ARG A 26 -15.756 5.981 4.829 1.00 0.00 C ATOM 403 CG ARG A 26 -16.879 5.947 3.794 1.00 0.00 C ATOM 404 CD ARG A 26 -16.465 5.048 2.629 1.00 0.00 C ATOM 405 NE ARG A 26 -17.515 5.016 1.617 1.00 0.00 N ATOM 406 CZ ARG A 26 -17.334 4.395 0.456 1.00 0.00 C ATOM 407 NH1 ARG A 26 -18.292 4.374 -0.430 1.00 0.00 N ATOM 408 NH2 ARG A 26 -16.196 3.809 0.200 1.00 0.00 N ATOM 0 H ARG A 26 -15.743 8.506 4.610 1.00 0.00 H new ATOM 0 HA ARG A 26 -17.061 6.610 6.421 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.826 6.302 4.360 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.584 4.980 5.226 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -17.797 5.574 4.248 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -17.088 6.954 3.434 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -15.538 5.415 2.189 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.269 4.039 2.991 1.00 0.00 H new ATOM 0 HE ARG A 26 -18.405 5.479 1.804 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -19.180 4.834 -0.232 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -18.152 3.897 -1.321 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.446 3.828 0.891 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.057 3.332 -0.691 1.00 0.00 H new ATOM 422 N ASN A 27 -14.342 8.063 7.170 1.00 0.00 N ATOM 423 CA ASN A 27 -13.264 8.208 8.153 1.00 0.00 C ATOM 424 C ASN A 27 -12.129 7.212 7.904 1.00 0.00 C ATOM 425 O ASN A 27 -11.440 6.800 8.838 1.00 0.00 O ATOM 426 CB ASN A 27 -13.816 8.011 9.571 1.00 0.00 C ATOM 427 CG ASN A 27 -12.773 8.423 10.606 1.00 0.00 C ATOM 428 OD1 ASN A 27 -12.074 9.420 10.422 1.00 0.00 O ATOM 429 ND2 ASN A 27 -12.622 7.708 11.687 1.00 0.00 N ATOM 0 H ASN A 27 -14.515 8.901 6.614 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.859 9.215 8.049 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -14.722 8.603 9.702 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -14.093 6.967 9.719 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.924 7.975 12.381 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -13.202 6.883 11.838 1.00 0.00 H new ATOM 436 N LYS A 28 -11.926 6.848 6.640 1.00 0.00 N ATOM 437 CA LYS A 28 -10.853 5.919 6.257 1.00 0.00 C ATOM 438 C LYS A 28 -10.297 6.310 4.895 1.00 0.00 C ATOM 439 O LYS A 28 -10.883 7.128 4.185 1.00 0.00 O ATOM 440 CB LYS A 28 -11.378 4.474 6.191 1.00 0.00 C ATOM 441 CG LYS A 28 -12.702 4.445 5.402 1.00 0.00 C ATOM 442 CD LYS A 28 -13.026 3.018 4.938 1.00 0.00 C ATOM 443 CE LYS A 28 -13.265 2.106 6.144 1.00 0.00 C ATOM 444 NZ LYS A 28 -13.837 0.813 5.682 1.00 0.00 N ATOM 0 H LYS A 28 -12.490 7.181 5.858 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.067 5.975 7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.642 3.830 5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.533 4.086 7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.512 4.822 6.027 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.631 5.106 4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.910 3.028 4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.204 2.629 4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.328 1.933 6.674 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.945 2.586 6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.202 0.283 6.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.612 0.996 5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.097 0.255 5.210 1.00 0.00 H new ATOM 458 N HIS A 29 -9.171 5.703 4.528 1.00 0.00 N ATOM 459 CA HIS A 29 -8.541 5.969 3.236 1.00 0.00 C ATOM 460 C HIS A 29 -8.900 4.870 2.252 1.00 0.00 C ATOM 461 O HIS A 29 -9.131 3.725 2.641 1.00 0.00 O ATOM 462 CB HIS A 29 -7.026 6.030 3.396 1.00 0.00 C ATOM 463 CG HIS A 29 -6.659 7.193 4.274 1.00 0.00 C ATOM 464 ND1 HIS A 29 -6.840 7.169 5.648 1.00 0.00 N ATOM 465 CD2 HIS A 29 -6.125 8.424 3.987 1.00 0.00 C ATOM 466 CE1 HIS A 29 -6.423 8.353 6.131 1.00 0.00 C ATOM 467 NE2 HIS A 29 -5.977 9.156 5.161 1.00 0.00 N ATOM 0 H HIS A 29 -8.676 5.024 5.106 1.00 0.00 H new ATOM 0 HA HIS A 29 -8.902 6.926 2.859 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.659 5.101 3.833 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.551 6.133 2.420 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.860 8.772 3.000 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -6.446 8.622 7.177 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -5.608 10.102 5.260 1.00 0.00 H new ATOM 475 N VAL A 30 -8.954 5.227 0.971 1.00 0.00 N ATOM 476 CA VAL A 30 -9.297 4.269 -0.085 1.00 0.00 C ATOM 477 C VAL A 30 -8.387 4.465 -1.288 1.00 0.00 C ATOM 478 O VAL A 30 -7.847 5.551 -1.497 1.00 0.00 O ATOM 479 CB VAL A 30 -10.754 4.476 -0.507 1.00 0.00 C ATOM 480 CG1 VAL A 30 -11.675 4.232 0.694 1.00 0.00 C ATOM 481 CG2 VAL A 30 -10.948 5.911 -1.020 1.00 0.00 C ATOM 0 H VAL A 30 -8.765 6.172 0.636 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.165 3.257 0.297 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.001 3.774 -1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.712 4.380 0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.543 3.211 1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.426 4.932 1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.986 6.053 -1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.698 6.617 -0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.297 6.082 -1.877 1.00 0.00 H new ATOM 491 N LEU A 31 -8.222 3.406 -2.082 1.00 0.00 N ATOM 492 CA LEU A 31 -7.374 3.460 -3.279 1.00 0.00 C ATOM 493 C LEU A 31 -8.242 3.583 -4.524 1.00 0.00 C ATOM 494 O LEU A 31 -9.084 2.725 -4.791 1.00 0.00 O ATOM 495 CB LEU A 31 -6.530 2.178 -3.374 1.00 0.00 C ATOM 496 CG LEU A 31 -5.494 2.281 -4.516 1.00 0.00 C ATOM 497 CD1 LEU A 31 -4.452 3.394 -4.226 1.00 0.00 C ATOM 498 CD2 LEU A 31 -4.785 0.923 -4.666 1.00 0.00 C ATOM 0 H LEU A 31 -8.663 2.501 -1.920 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.717 4.327 -3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.018 2.005 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.182 1.321 -3.545 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.009 2.540 -5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.735 3.444 -5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.961 4.353 -4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.927 3.168 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.051 0.983 -5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.282 0.670 -3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.520 0.153 -4.902 1.00 0.00 H new ATOM 510 N LEU A 32 -8.024 4.644 -5.295 1.00 0.00 N ATOM 511 CA LEU A 32 -8.787 4.850 -6.522 1.00 0.00 C ATOM 512 C LEU A 32 -8.246 3.932 -7.608 1.00 0.00 C ATOM 513 O LEU A 32 -7.222 4.226 -8.226 1.00 0.00 O ATOM 514 CB LEU A 32 -8.672 6.315 -6.973 1.00 0.00 C ATOM 515 CG LEU A 32 -9.554 6.585 -8.216 1.00 0.00 C ATOM 516 CD1 LEU A 32 -11.057 6.412 -7.882 1.00 0.00 C ATOM 517 CD2 LEU A 32 -9.288 8.015 -8.715 1.00 0.00 C ATOM 0 H LEU A 32 -7.333 5.367 -5.095 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.837 4.620 -6.339 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.973 6.974 -6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.632 6.548 -7.203 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.300 5.864 -8.993 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.653 6.608 -8.774 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.239 5.393 -7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.338 7.113 -7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.905 8.215 -9.591 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.534 8.727 -7.927 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.236 8.118 -8.981 1.00 0.00 H new ATOM 529 N ALA A 33 -8.938 2.816 -7.842 1.00 0.00 N ATOM 530 CA ALA A 33 -8.514 1.856 -8.865 1.00 0.00 C ATOM 531 C ALA A 33 -9.267 2.128 -10.177 1.00 0.00 C ATOM 532 O ALA A 33 -10.439 2.505 -10.136 1.00 0.00 O ATOM 533 CB ALA A 33 -8.815 0.429 -8.396 1.00 0.00 C ATOM 0 H ALA A 33 -9.788 2.555 -7.342 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.442 1.965 -9.030 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.498 -0.280 -9.161 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.276 0.229 -7.470 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.886 0.321 -8.223 1.00 0.00 H new ATOM 539 N PRO A 34 -8.661 1.939 -11.334 1.00 0.00 N ATOM 540 CA PRO A 34 -9.368 2.176 -12.627 1.00 0.00 C ATOM 541 C PRO A 34 -10.759 1.533 -12.654 1.00 0.00 C ATOM 542 O PRO A 34 -11.694 2.090 -13.227 1.00 0.00 O ATOM 543 CB PRO A 34 -8.440 1.519 -13.673 1.00 0.00 C ATOM 544 CG PRO A 34 -7.069 1.614 -13.079 1.00 0.00 C ATOM 545 CD PRO A 34 -7.257 1.507 -11.554 1.00 0.00 C ATOM 0 HA PRO A 34 -9.544 3.236 -12.808 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.721 0.482 -13.856 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.493 2.037 -14.630 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.427 0.815 -13.450 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.592 2.556 -13.348 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.093 0.489 -11.202 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.554 2.146 -11.019 1.00 0.00 H new ATOM 553 N GLU A 35 -10.883 0.349 -12.055 1.00 0.00 N ATOM 554 CA GLU A 35 -12.163 -0.358 -12.051 1.00 0.00 C ATOM 555 C GLU A 35 -13.158 0.273 -11.080 1.00 0.00 C ATOM 556 O GLU A 35 -14.280 0.594 -11.471 1.00 0.00 O ATOM 557 CB GLU A 35 -11.931 -1.826 -11.663 1.00 0.00 C ATOM 558 CG GLU A 35 -13.260 -2.623 -11.714 1.00 0.00 C ATOM 559 CD GLU A 35 -14.062 -2.437 -10.427 1.00 0.00 C ATOM 560 OE1 GLU A 35 -13.472 -2.544 -9.366 1.00 0.00 O ATOM 561 OE2 GLU A 35 -15.254 -2.196 -10.526 1.00 0.00 O ATOM 0 H GLU A 35 -10.125 -0.135 -11.573 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.587 -0.291 -13.053 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.205 -2.276 -12.340 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.507 -1.880 -10.660 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.853 -2.293 -12.567 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.047 -3.681 -11.864 1.00 0.00 H new ATOM 568 N ARG A 36 -12.744 0.460 -9.827 1.00 0.00 N ATOM 569 CA ARG A 36 -13.621 1.061 -8.819 1.00 0.00 C ATOM 570 C ARG A 36 -12.869 1.258 -7.504 1.00 0.00 C ATOM 571 O ARG A 36 -11.926 0.531 -7.204 1.00 0.00 O ATOM 572 CB ARG A 36 -14.846 0.164 -8.568 1.00 0.00 C ATOM 573 CG ARG A 36 -15.807 0.853 -7.596 1.00 0.00 C ATOM 574 CD ARG A 36 -17.102 0.047 -7.492 1.00 0.00 C ATOM 575 NE ARG A 36 -17.997 0.664 -6.514 1.00 0.00 N ATOM 576 CZ ARG A 36 -18.726 1.736 -6.819 1.00 0.00 C ATOM 577 NH1 ARG A 36 -19.514 2.263 -5.925 1.00 0.00 N ATOM 578 NH2 ARG A 36 -18.647 2.260 -8.012 1.00 0.00 N ATOM 0 H ARG A 36 -11.816 0.207 -9.487 1.00 0.00 H new ATOM 0 HA ARG A 36 -13.951 2.029 -9.195 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -15.354 -0.044 -9.510 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.528 -0.795 -8.159 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.343 0.943 -6.614 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -16.024 1.864 -7.940 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -17.590 0.000 -8.465 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -16.879 -0.979 -7.197 1.00 0.00 H new ATOM 0 HE ARG A 36 -18.064 0.265 -5.578 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -19.572 1.855 -4.992 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -20.073 3.084 -6.158 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -18.027 1.848 -8.710 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.205 3.081 -8.246 1.00 0.00 H new ATOM 592 N THR A 37 -13.306 2.232 -6.713 1.00 0.00 N ATOM 593 CA THR A 37 -12.672 2.499 -5.427 1.00 0.00 C ATOM 594 C THR A 37 -12.910 1.338 -4.466 1.00 0.00 C ATOM 595 O THR A 37 -14.030 0.842 -4.342 1.00 0.00 O ATOM 596 CB THR A 37 -13.241 3.787 -4.829 1.00 0.00 C ATOM 597 OG1 THR A 37 -13.052 4.857 -5.744 1.00 0.00 O ATOM 598 CG2 THR A 37 -12.536 4.107 -3.508 1.00 0.00 C ATOM 0 H THR A 37 -14.090 2.845 -6.937 1.00 0.00 H new ATOM 0 HA THR A 37 -11.599 2.613 -5.582 1.00 0.00 H new ATOM 0 HB THR A 37 -14.306 3.654 -4.639 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.418 5.682 -5.362 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.947 5.025 -3.089 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.689 3.288 -2.806 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.469 4.236 -3.687 1.00 0.00 H new ATOM 606 N PHE A 38 -11.839 0.904 -3.795 1.00 0.00 N ATOM 607 CA PHE A 38 -11.905 -0.214 -2.840 1.00 0.00 C ATOM 608 C PHE A 38 -11.752 0.284 -1.405 1.00 0.00 C ATOM 609 O PHE A 38 -10.954 1.179 -1.125 1.00 0.00 O ATOM 610 CB PHE A 38 -10.780 -1.216 -3.165 1.00 0.00 C ATOM 611 CG PHE A 38 -11.141 -2.001 -4.414 1.00 0.00 C ATOM 612 CD1 PHE A 38 -10.807 -1.501 -5.679 1.00 0.00 C ATOM 613 CD2 PHE A 38 -11.819 -3.222 -4.301 1.00 0.00 C ATOM 614 CE1 PHE A 38 -11.152 -2.221 -6.830 1.00 0.00 C ATOM 615 CE2 PHE A 38 -12.161 -3.943 -5.451 1.00 0.00 C ATOM 616 CZ PHE A 38 -11.828 -3.442 -6.715 1.00 0.00 C ATOM 0 H PHE A 38 -10.909 1.311 -3.894 1.00 0.00 H new ATOM 0 HA PHE A 38 -12.877 -0.698 -2.929 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -9.840 -0.686 -3.316 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -10.632 -1.896 -2.326 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.284 -0.560 -5.767 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -12.078 -3.607 -3.326 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.897 -1.835 -7.806 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -12.681 -4.885 -5.363 1.00 0.00 H new ATOM 0 HZ PHE A 38 -12.093 -3.998 -7.602 1.00 0.00 H new ATOM 626 N ASP A 39 -12.517 -0.322 -0.497 1.00 0.00 N ATOM 627 CA ASP A 39 -12.459 0.042 0.917 1.00 0.00 C ATOM 628 C ASP A 39 -11.167 -0.480 1.542 1.00 0.00 C ATOM 629 O ASP A 39 -10.905 -1.682 1.542 1.00 0.00 O ATOM 630 CB ASP A 39 -13.674 -0.536 1.662 1.00 0.00 C ATOM 631 CG ASP A 39 -13.551 -0.301 3.167 1.00 0.00 C ATOM 632 OD1 ASP A 39 -12.659 0.428 3.562 1.00 0.00 O ATOM 633 OD2 ASP A 39 -14.352 -0.859 3.901 1.00 0.00 O ATOM 0 H ASP A 39 -13.182 -1.064 -0.715 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.477 1.129 1.000 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -14.588 -0.072 1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -13.754 -1.604 1.462 1.00 0.00 H new ATOM 638 N LEU A 40 -10.364 0.441 2.080 1.00 0.00 N ATOM 639 CA LEU A 40 -9.091 0.094 2.723 1.00 0.00 C ATOM 640 C LEU A 40 -8.940 0.875 4.022 1.00 0.00 C ATOM 641 O LEU A 40 -9.563 1.920 4.209 1.00 0.00 O ATOM 642 CB LEU A 40 -7.921 0.419 1.784 1.00 0.00 C ATOM 643 CG LEU A 40 -7.922 -0.528 0.560 1.00 0.00 C ATOM 644 CD1 LEU A 40 -6.980 0.039 -0.506 1.00 0.00 C ATOM 645 CD2 LEU A 40 -7.454 -1.953 0.952 1.00 0.00 C ATOM 0 H LEU A 40 -10.573 1.439 2.084 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.084 -0.974 2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.994 1.454 1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.978 0.324 2.323 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.939 -0.598 0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.973 -0.621 -1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.324 1.029 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.972 0.113 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.465 -2.595 0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.442 -1.906 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.125 -2.362 1.707 1.00 0.00 H new ATOM 657 N ASP A 41 -8.111 0.353 4.922 1.00 0.00 N ATOM 658 CA ASP A 41 -7.877 0.994 6.216 1.00 0.00 C ATOM 659 C ASP A 41 -6.785 2.052 6.095 1.00 0.00 C ATOM 660 O ASP A 41 -5.924 1.976 5.218 1.00 0.00 O ATOM 661 CB ASP A 41 -7.452 -0.067 7.237 1.00 0.00 C ATOM 662 CG ASP A 41 -8.611 -1.019 7.522 1.00 0.00 C ATOM 663 OD1 ASP A 41 -9.734 -0.671 7.198 1.00 0.00 O ATOM 664 OD2 ASP A 41 -8.356 -2.084 8.060 1.00 0.00 O ATOM 0 H ASP A 41 -7.589 -0.512 4.781 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.797 1.477 6.545 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.597 -0.627 6.857 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.132 0.415 8.161 1.00 0.00 H new ATOM 669 N ASP A 42 -6.832 3.041 6.981 1.00 0.00 N ATOM 670 CA ASP A 42 -5.848 4.117 6.969 1.00 0.00 C ATOM 671 C ASP A 42 -4.443 3.559 7.161 1.00 0.00 C ATOM 672 O ASP A 42 -3.489 4.031 6.544 1.00 0.00 O ATOM 673 CB ASP A 42 -6.158 5.123 8.082 1.00 0.00 C ATOM 674 CG ASP A 42 -5.166 6.285 8.043 1.00 0.00 C ATOM 675 OD1 ASP A 42 -4.237 6.227 7.254 1.00 0.00 O ATOM 676 OD2 ASP A 42 -5.352 7.218 8.807 1.00 0.00 O ATOM 0 H ASP A 42 -7.538 3.120 7.713 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.898 4.619 6.003 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.174 5.500 7.967 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.110 4.628 9.052 1.00 0.00 H new ATOM 681 N ASN A 43 -4.325 2.555 8.019 1.00 0.00 N ATOM 682 CA ASN A 43 -3.029 1.944 8.290 1.00 0.00 C ATOM 683 C ASN A 43 -2.465 1.295 7.027 1.00 0.00 C ATOM 684 O ASN A 43 -1.263 1.363 6.773 1.00 0.00 O ATOM 685 CB ASN A 43 -3.170 0.888 9.396 1.00 0.00 C ATOM 686 CG ASN A 43 -3.468 1.562 10.733 1.00 0.00 C ATOM 687 OD1 ASN A 43 -3.255 2.766 10.883 1.00 0.00 O ATOM 688 ND2 ASN A 43 -3.945 0.854 11.719 1.00 0.00 N ATOM 0 H ASN A 43 -5.104 2.148 8.536 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.342 2.724 8.619 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.971 0.192 9.145 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.252 0.305 9.471 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.142 1.297 12.616 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.121 -0.143 11.593 1.00 0.00 H new ATOM 695 N ALA A 44 -3.333 0.663 6.243 1.00 0.00 N ATOM 696 CA ALA A 44 -2.893 0.002 5.016 1.00 0.00 C ATOM 697 C ALA A 44 -2.460 1.026 3.972 1.00 0.00 C ATOM 698 O ALA A 44 -1.459 0.830 3.282 1.00 0.00 O ATOM 699 CB ALA A 44 -4.031 -0.849 4.451 1.00 0.00 C ATOM 0 H ALA A 44 -4.333 0.594 6.431 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.040 -0.633 5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.699 -1.340 3.536 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.320 -1.603 5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.887 -0.211 4.230 1.00 0.00 H new ATOM 705 N VAL A 45 -3.212 2.120 3.857 1.00 0.00 N ATOM 706 CA VAL A 45 -2.880 3.165 2.886 1.00 0.00 C ATOM 707 C VAL A 45 -1.764 4.052 3.422 1.00 0.00 C ATOM 708 O VAL A 45 -1.001 4.636 2.653 1.00 0.00 O ATOM 709 CB VAL A 45 -4.104 4.036 2.593 1.00 0.00 C ATOM 710 CG1 VAL A 45 -3.759 5.058 1.503 1.00 0.00 C ATOM 711 CG2 VAL A 45 -5.260 3.157 2.117 1.00 0.00 C ATOM 0 H VAL A 45 -4.045 2.306 4.416 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.553 2.677 1.968 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.398 4.559 3.503 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.632 5.677 1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.938 5.690 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.461 4.534 0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.130 3.781 1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.966 2.630 1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.510 2.433 2.892 1.00 0.00 H new ATOM 721 N ALA A 46 -1.678 4.158 4.745 1.00 0.00 N ATOM 722 CA ALA A 46 -0.652 4.988 5.365 1.00 0.00 C ATOM 723 C ALA A 46 0.726 4.574 4.865 1.00 0.00 C ATOM 724 O ALA A 46 1.587 5.415 4.621 1.00 0.00 O ATOM 725 CB ALA A 46 -0.716 4.850 6.892 1.00 0.00 C ATOM 0 H ALA A 46 -2.299 3.685 5.401 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.830 6.029 5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.054 5.474 7.346 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.697 5.169 7.245 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.551 3.809 7.170 1.00 0.00 H new ATOM 731 N VAL A 47 0.918 3.272 4.711 1.00 0.00 N ATOM 732 CA VAL A 47 2.189 2.746 4.236 1.00 0.00 C ATOM 733 C VAL A 47 2.499 3.285 2.843 1.00 0.00 C ATOM 734 O VAL A 47 3.606 3.751 2.577 1.00 0.00 O ATOM 735 CB VAL A 47 2.106 1.214 4.189 1.00 0.00 C ATOM 736 CG1 VAL A 47 3.405 0.621 3.623 1.00 0.00 C ATOM 737 CG2 VAL A 47 1.862 0.678 5.605 1.00 0.00 C ATOM 0 H VAL A 47 0.212 2.562 4.907 1.00 0.00 H new ATOM 0 HA VAL A 47 2.984 3.057 4.914 1.00 0.00 H new ATOM 0 HB VAL A 47 1.282 0.922 3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.328 -0.466 3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.567 0.997 2.613 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.243 0.910 4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.802 -0.410 5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.684 0.980 6.255 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.927 1.083 5.991 1.00 0.00 H new ATOM 747 N LEU A 48 1.510 3.209 1.958 1.00 0.00 N ATOM 748 CA LEU A 48 1.676 3.682 0.590 1.00 0.00 C ATOM 749 C LEU A 48 1.761 5.204 0.565 1.00 0.00 C ATOM 750 O LEU A 48 2.402 5.789 -0.308 1.00 0.00 O ATOM 751 CB LEU A 48 0.508 3.209 -0.279 1.00 0.00 C ATOM 752 CG LEU A 48 0.311 1.687 -0.130 1.00 0.00 C ATOM 753 CD1 LEU A 48 -0.858 1.243 -1.020 1.00 0.00 C ATOM 754 CD2 LEU A 48 1.594 0.926 -0.538 1.00 0.00 C ATOM 0 H LEU A 48 0.588 2.825 2.164 1.00 0.00 H new ATOM 0 HA LEU A 48 2.603 3.271 0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.404 3.731 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.699 3.457 -1.323 1.00 0.00 H new ATOM 0 HG LEU A 48 0.094 1.459 0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.003 0.167 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.766 1.762 -0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.636 1.484 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.433 -0.146 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.834 1.149 -1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.421 1.238 0.101 1.00 0.00 H new ATOM 766 N LYS A 49 1.104 5.845 1.529 1.00 0.00 N ATOM 767 CA LYS A 49 1.107 7.305 1.618 1.00 0.00 C ATOM 768 C LYS A 49 2.377 7.802 2.312 1.00 0.00 C ATOM 769 O LYS A 49 2.835 8.915 2.057 1.00 0.00 O ATOM 770 CB LYS A 49 -0.123 7.778 2.403 1.00 0.00 C ATOM 771 CG LYS A 49 -0.263 9.299 2.288 1.00 0.00 C ATOM 772 CD LYS A 49 -1.544 9.759 3.008 1.00 0.00 C ATOM 773 CE LYS A 49 -2.816 9.231 2.298 1.00 0.00 C ATOM 774 NZ LYS A 49 -3.250 7.971 2.962 1.00 0.00 N ATOM 0 H LYS A 49 0.564 5.379 2.258 1.00 0.00 H new ATOM 0 HA LYS A 49 1.078 7.713 0.608 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.019 7.292 2.018 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.029 7.491 3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.607 9.788 2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.299 9.592 1.239 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.529 9.407 4.039 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.571 10.848 3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.611 9.975 2.345 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.611 9.050 1.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.052 7.563 2.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.461 7.293 2.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.540 8.176 3.940 1.00 0.00 H new ATOM 788 N LEU A 50 2.930 6.980 3.207 1.00 0.00 N ATOM 789 CA LEU A 50 4.134 7.368 3.945 1.00 0.00 C ATOM 790 C LEU A 50 5.355 7.361 3.028 1.00 0.00 C ATOM 791 O LEU A 50 6.272 8.164 3.199 1.00 0.00 O ATOM 792 CB LEU A 50 4.355 6.377 5.105 1.00 0.00 C ATOM 793 CG LEU A 50 5.575 6.770 5.971 1.00 0.00 C ATOM 794 CD1 LEU A 50 5.322 8.105 6.703 1.00 0.00 C ATOM 795 CD2 LEU A 50 5.824 5.656 7.000 1.00 0.00 C ATOM 0 H LEU A 50 2.569 6.054 3.436 1.00 0.00 H new ATOM 0 HA LEU A 50 4.000 8.377 4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.462 6.343 5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.502 5.374 4.704 1.00 0.00 H new ATOM 0 HG LEU A 50 6.446 6.896 5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.194 8.360 7.305 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.143 8.893 5.971 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.450 8.006 7.350 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.682 5.918 7.619 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.943 5.540 7.631 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.024 4.719 6.480 1.00 0.00 H new ATOM 807 N VAL A 51 5.360 6.457 2.050 1.00 0.00 N ATOM 808 CA VAL A 51 6.476 6.365 1.104 1.00 0.00 C ATOM 809 C VAL A 51 6.386 7.475 0.056 1.00 0.00 C ATOM 810 O VAL A 51 5.353 7.660 -0.586 1.00 0.00 O ATOM 811 CB VAL A 51 6.503 4.978 0.430 1.00 0.00 C ATOM 812 CG1 VAL A 51 5.147 4.667 -0.202 1.00 0.00 C ATOM 813 CG2 VAL A 51 7.590 4.937 -0.654 1.00 0.00 C ATOM 0 H VAL A 51 4.612 5.782 1.891 1.00 0.00 H new ATOM 0 HA VAL A 51 7.407 6.493 1.657 1.00 0.00 H new ATOM 0 HB VAL A 51 6.723 4.231 1.192 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.182 3.685 -0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.377 4.672 0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.914 5.422 -0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.600 3.953 -1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.381 5.696 -1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.562 5.133 -0.202 1.00 0.00 H new ATOM 823 N ASP A 52 7.482 8.203 -0.115 1.00 0.00 N ATOM 824 CA ASP A 52 7.529 9.280 -1.096 1.00 0.00 C ATOM 825 C ASP A 52 7.479 8.709 -2.517 1.00 0.00 C ATOM 826 O ASP A 52 6.773 9.229 -3.381 1.00 0.00 O ATOM 827 CB ASP A 52 8.813 10.094 -0.903 1.00 0.00 C ATOM 828 CG ASP A 52 8.751 10.871 0.414 1.00 0.00 C ATOM 829 OD1 ASP A 52 7.668 10.979 0.968 1.00 0.00 O ATOM 830 OD2 ASP A 52 9.788 11.342 0.848 1.00 0.00 O ATOM 0 H ASP A 52 8.346 8.069 0.410 1.00 0.00 H new ATOM 0 HA ASP A 52 6.665 9.929 -0.952 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.677 9.430 -0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.943 10.785 -1.736 1.00 0.00 H new ATOM 835 N GLY A 53 8.238 7.632 -2.748 1.00 0.00 N ATOM 836 CA GLY A 53 8.289 6.979 -4.065 1.00 0.00 C ATOM 837 C GLY A 53 8.488 5.477 -3.908 1.00 0.00 C ATOM 838 O GLY A 53 7.529 4.739 -3.684 1.00 0.00 O ATOM 0 H GLY A 53 8.827 7.192 -2.041 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.366 7.174 -4.610 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.103 7.400 -4.655 1.00 0.00 H new ATOM 842 N ARG A 54 9.744 5.023 -4.025 1.00 0.00 N ATOM 843 CA ARG A 54 10.065 3.595 -3.878 1.00 0.00 C ATOM 844 C ARG A 54 10.944 3.364 -2.651 1.00 0.00 C ATOM 845 O ARG A 54 12.147 3.632 -2.680 1.00 0.00 O ATOM 846 CB ARG A 54 10.808 3.117 -5.129 1.00 0.00 C ATOM 847 CG ARG A 54 9.859 3.136 -6.329 1.00 0.00 C ATOM 848 CD ARG A 54 10.608 2.690 -7.585 1.00 0.00 C ATOM 849 NE ARG A 54 11.614 3.680 -7.947 1.00 0.00 N ATOM 850 CZ ARG A 54 12.394 3.512 -9.011 1.00 0.00 C ATOM 851 NH1 ARG A 54 13.295 4.407 -9.306 1.00 0.00 N ATOM 852 NH2 ARG A 54 12.255 2.452 -9.761 1.00 0.00 N ATOM 0 H ARG A 54 10.549 5.618 -4.220 1.00 0.00 H new ATOM 0 HA ARG A 54 9.137 3.036 -3.753 1.00 0.00 H new ATOM 0 HB2 ARG A 54 11.667 3.760 -5.322 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.193 2.109 -4.973 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.012 2.475 -6.145 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.456 4.139 -6.471 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.083 1.725 -7.411 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.906 2.556 -8.408 1.00 0.00 H new ATOM 0 HE ARG A 54 11.722 4.517 -7.374 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.401 5.236 -8.721 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.893 4.279 -10.122 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.548 1.753 -9.531 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.853 2.323 -10.577 1.00 0.00 H new ATOM 866 N ASN A 55 10.340 2.827 -1.586 1.00 0.00 N ATOM 867 CA ASN A 55 11.061 2.503 -0.344 1.00 0.00 C ATOM 868 C ASN A 55 11.008 0.999 -0.091 1.00 0.00 C ATOM 869 O ASN A 55 10.025 0.338 -0.429 1.00 0.00 O ATOM 870 CB ASN A 55 10.453 3.270 0.845 1.00 0.00 C ATOM 871 CG ASN A 55 10.858 4.743 0.790 1.00 0.00 C ATOM 872 OD1 ASN A 55 11.784 5.109 0.067 1.00 0.00 O ATOM 873 ND2 ASN A 55 10.215 5.613 1.519 1.00 0.00 N ATOM 0 H ASN A 55 9.345 2.605 -1.557 1.00 0.00 H new ATOM 0 HA ASN A 55 12.103 2.806 -0.451 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.367 3.184 0.825 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.790 2.828 1.782 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.480 6.598 1.490 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.448 5.309 2.118 1.00 0.00 H new ATOM 880 N THR A 56 12.060 0.464 0.522 1.00 0.00 N ATOM 881 CA THR A 56 12.112 -0.962 0.835 1.00 0.00 C ATOM 882 C THR A 56 11.279 -1.249 2.078 1.00 0.00 C ATOM 883 O THR A 56 11.256 -0.453 3.017 1.00 0.00 O ATOM 884 CB THR A 56 13.564 -1.389 1.079 1.00 0.00 C ATOM 885 OG1 THR A 56 13.978 -0.935 2.361 1.00 0.00 O ATOM 886 CG2 THR A 56 14.467 -0.776 0.005 1.00 0.00 C ATOM 0 H THR A 56 12.884 0.992 0.811 1.00 0.00 H new ATOM 0 HA THR A 56 11.708 -1.525 -0.006 1.00 0.00 H new ATOM 0 HB THR A 56 13.636 -2.476 1.034 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.906 -1.208 2.521 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.499 -1.081 0.180 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.149 -1.121 -0.979 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.397 0.311 0.048 1.00 0.00 H new ATOM 894 N VAL A 57 10.589 -2.385 2.080 1.00 0.00 N ATOM 895 CA VAL A 57 9.753 -2.751 3.216 1.00 0.00 C ATOM 896 C VAL A 57 10.573 -2.761 4.499 1.00 0.00 C ATOM 897 O VAL A 57 10.095 -2.347 5.556 1.00 0.00 O ATOM 898 CB VAL A 57 9.123 -4.129 2.990 1.00 0.00 C ATOM 899 CG1 VAL A 57 8.263 -4.090 1.723 1.00 0.00 C ATOM 900 CG2 VAL A 57 10.221 -5.188 2.831 1.00 0.00 C ATOM 0 H VAL A 57 10.592 -3.061 1.316 1.00 0.00 H new ATOM 0 HA VAL A 57 8.960 -2.010 3.312 1.00 0.00 H new ATOM 0 HB VAL A 57 8.503 -4.386 3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.813 -5.069 1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.477 -3.344 1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.887 -3.829 0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.764 -6.165 2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.848 -4.936 1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.832 -5.217 3.733 1.00 0.00 H new ATOM 910 N SER A 58 11.811 -3.231 4.401 1.00 0.00 N ATOM 911 CA SER A 58 12.684 -3.282 5.564 1.00 0.00 C ATOM 912 C SER A 58 12.877 -1.888 6.155 1.00 0.00 C ATOM 913 O SER A 58 12.812 -1.708 7.367 1.00 0.00 O ATOM 914 CB SER A 58 14.042 -3.863 5.173 1.00 0.00 C ATOM 915 OG SER A 58 14.867 -3.944 6.327 1.00 0.00 O ATOM 0 H SER A 58 12.228 -3.578 3.537 1.00 0.00 H new ATOM 0 HA SER A 58 12.217 -3.920 6.314 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.914 -4.852 4.733 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.515 -3.236 4.417 1.00 0.00 H new ATOM 0 HG SER A 58 15.739 -4.318 6.080 1.00 0.00 H new ATOM 921 N GLN A 59 13.118 -0.906 5.289 1.00 0.00 N ATOM 922 CA GLN A 59 13.328 0.468 5.742 1.00 0.00 C ATOM 923 C GLN A 59 12.060 1.032 6.378 1.00 0.00 C ATOM 924 O GLN A 59 12.111 1.648 7.442 1.00 0.00 O ATOM 925 CB GLN A 59 13.747 1.347 4.554 1.00 0.00 C ATOM 926 CG GLN A 59 14.205 2.731 5.041 1.00 0.00 C ATOM 927 CD GLN A 59 15.524 2.616 5.800 1.00 0.00 C ATOM 928 OE1 GLN A 59 15.604 2.998 6.968 1.00 0.00 O ATOM 929 NE2 GLN A 59 16.566 2.109 5.203 1.00 0.00 N ATOM 0 H GLN A 59 13.173 -1.033 4.278 1.00 0.00 H new ATOM 0 HA GLN A 59 14.118 0.466 6.493 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.554 0.864 4.004 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.911 1.457 3.863 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.324 3.402 4.190 1.00 0.00 H new ATOM 0 HG3 GLN A 59 13.443 3.167 5.687 1.00 0.00 H new ATOM 0 HE21 GLN A 59 16.496 1.794 4.236 1.00 0.00 H new ATOM 0 HE22 GLN A 59 17.451 2.028 5.703 1.00 0.00 H new ATOM 938 N ILE A 60 10.926 0.818 5.721 1.00 0.00 N ATOM 939 CA ILE A 60 9.654 1.313 6.235 1.00 0.00 C ATOM 940 C ILE A 60 9.368 0.693 7.594 1.00 0.00 C ATOM 941 O ILE A 60 8.907 1.366 8.514 1.00 0.00 O ATOM 942 CB ILE A 60 8.518 0.977 5.259 1.00 0.00 C ATOM 943 CG1 ILE A 60 8.806 1.634 3.898 1.00 0.00 C ATOM 944 CG2 ILE A 60 7.183 1.506 5.816 1.00 0.00 C ATOM 945 CD1 ILE A 60 7.815 1.117 2.850 1.00 0.00 C ATOM 0 H ILE A 60 10.860 0.310 4.839 1.00 0.00 H new ATOM 0 HA ILE A 60 9.717 2.396 6.341 1.00 0.00 H new ATOM 0 HB ILE A 60 8.452 -0.104 5.136 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.726 2.718 3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.827 1.413 3.586 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.378 1.266 5.121 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.981 1.040 6.780 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.244 2.587 5.941 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.024 1.586 1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.916 0.036 2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.799 1.361 3.159 1.00 0.00 H new ATOM 957 N ALA A 61 9.630 -0.602 7.703 1.00 0.00 N ATOM 958 CA ALA A 61 9.385 -1.321 8.944 1.00 0.00 C ATOM 959 C ALA A 61 10.038 -0.616 10.130 1.00 0.00 C ATOM 960 O ALA A 61 9.453 -0.536 11.210 1.00 0.00 O ATOM 961 CB ALA A 61 9.924 -2.747 8.825 1.00 0.00 C ATOM 0 H ALA A 61 10.011 -1.174 6.949 1.00 0.00 H new ATOM 0 HA ALA A 61 8.309 -1.348 9.118 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.740 -3.284 9.755 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.421 -3.259 8.005 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.996 -2.716 8.630 1.00 0.00 H new ATOM 967 N GLN A 62 11.243 -0.104 9.925 1.00 0.00 N ATOM 968 CA GLN A 62 11.944 0.592 10.995 1.00 0.00 C ATOM 969 C GLN A 62 11.178 1.844 11.413 1.00 0.00 C ATOM 970 O GLN A 62 10.919 2.056 12.595 1.00 0.00 O ATOM 971 CB GLN A 62 13.346 0.999 10.530 1.00 0.00 C ATOM 972 CG GLN A 62 14.158 -0.243 10.150 1.00 0.00 C ATOM 973 CD GLN A 62 14.433 -1.098 11.382 1.00 0.00 C ATOM 974 OE1 GLN A 62 14.775 -0.573 12.441 1.00 0.00 O ATOM 975 NE2 GLN A 62 14.309 -2.394 11.302 1.00 0.00 N ATOM 0 H GLN A 62 11.750 -0.156 9.041 1.00 0.00 H new ATOM 0 HA GLN A 62 12.020 -0.085 11.846 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.273 1.670 9.674 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.855 1.547 11.323 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.614 -0.828 9.408 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.100 0.057 9.691 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.025 -2.826 10.423 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.496 -2.976 12.119 1.00 0.00 H new ATOM 984 N ILE A 63 10.828 2.676 10.437 1.00 0.00 N ATOM 985 CA ILE A 63 10.105 3.912 10.725 1.00 0.00 C ATOM 986 C ILE A 63 8.717 3.620 11.287 1.00 0.00 C ATOM 987 O ILE A 63 8.325 4.171 12.314 1.00 0.00 O ATOM 988 CB ILE A 63 9.964 4.745 9.441 1.00 0.00 C ATOM 989 CG1 ILE A 63 11.360 5.035 8.859 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.249 6.072 9.757 1.00 0.00 C ATOM 991 CD1 ILE A 63 11.223 5.640 7.457 1.00 0.00 C ATOM 0 H ILE A 63 11.030 2.520 9.449 1.00 0.00 H new ATOM 0 HA ILE A 63 10.673 4.468 11.470 1.00 0.00 H new ATOM 0 HB ILE A 63 9.377 4.186 8.712 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.900 5.722 9.510 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.943 4.115 8.813 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.151 6.659 8.844 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.259 5.864 10.162 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.830 6.633 10.489 1.00 0.00 H new ATOM 0 HD11 ILE A 63 12.214 5.843 7.050 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.701 4.938 6.807 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.657 6.570 7.516 1.00 0.00 H new ATOM 1003 N LEU A 64 7.969 2.763 10.598 1.00 0.00 N ATOM 1004 CA LEU A 64 6.617 2.422 11.027 1.00 0.00 C ATOM 1005 C LEU A 64 6.653 1.589 12.306 1.00 0.00 C ATOM 1006 O LEU A 64 5.774 1.696 13.158 1.00 0.00 O ATOM 1007 CB LEU A 64 5.891 1.659 9.914 1.00 0.00 C ATOM 1008 CG LEU A 64 4.381 1.533 10.227 1.00 0.00 C ATOM 1009 CD1 LEU A 64 3.684 2.922 10.162 1.00 0.00 C ATOM 1010 CD2 LEU A 64 3.727 0.566 9.215 1.00 0.00 C ATOM 0 H LEU A 64 8.274 2.294 9.745 1.00 0.00 H new ATOM 0 HA LEU A 64 6.074 3.344 11.235 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.028 2.176 8.964 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.328 0.667 9.803 1.00 0.00 H new ATOM 0 HG LEU A 64 4.264 1.141 11.237 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.623 2.808 10.386 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.139 3.592 10.892 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.801 3.341 9.163 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.663 0.476 9.434 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.858 0.953 8.205 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.198 -0.414 9.292 1.00 0.00 H new ATOM 1022 N GLY A 65 7.669 0.744 12.430 1.00 0.00 N ATOM 1023 CA GLY A 65 7.794 -0.104 13.606 1.00 0.00 C ATOM 1024 C GLY A 65 7.867 0.738 14.878 1.00 0.00 C ATOM 1025 O GLY A 65 7.228 0.421 15.880 1.00 0.00 O ATOM 0 H GLY A 65 8.410 0.629 11.739 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.943 -0.783 13.662 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.689 -0.721 13.521 1.00 0.00 H new ATOM 1029 N GLN A 66 8.644 1.814 14.825 1.00 0.00 N ATOM 1030 CA GLN A 66 8.790 2.702 15.977 1.00 0.00 C ATOM 1031 C GLN A 66 7.479 3.433 16.275 1.00 0.00 C ATOM 1032 O GLN A 66 7.123 3.635 17.435 1.00 0.00 O ATOM 1033 CB GLN A 66 9.904 3.727 15.714 1.00 0.00 C ATOM 1034 CG GLN A 66 11.266 3.027 15.702 1.00 0.00 C ATOM 1035 CD GLN A 66 12.362 4.033 15.368 1.00 0.00 C ATOM 1036 OE1 GLN A 66 12.088 5.225 15.229 1.00 0.00 O ATOM 1037 NE2 GLN A 66 13.594 3.624 15.232 1.00 0.00 N ATOM 0 H GLN A 66 9.180 2.093 14.003 1.00 0.00 H new ATOM 0 HA GLN A 66 9.052 2.094 16.843 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.733 4.225 14.760 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.889 4.499 16.484 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.460 2.573 16.674 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.264 2.221 14.968 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.819 2.636 15.348 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.332 4.293 15.010 1.00 0.00 H new ATOM 1046 N THR A 67 6.768 3.837 15.224 1.00 0.00 N ATOM 1047 CA THR A 67 5.508 4.555 15.402 1.00 0.00 C ATOM 1048 C THR A 67 4.481 3.670 16.103 1.00 0.00 C ATOM 1049 O THR A 67 3.716 4.142 16.944 1.00 0.00 O ATOM 1050 CB THR A 67 4.962 5.009 14.039 1.00 0.00 C ATOM 1051 OG1 THR A 67 4.890 3.898 13.173 1.00 0.00 O ATOM 1052 CG2 THR A 67 5.883 6.074 13.435 1.00 0.00 C ATOM 0 H THR A 67 7.038 3.682 14.253 1.00 0.00 H new ATOM 0 HA THR A 67 5.695 5.431 16.023 1.00 0.00 H new ATOM 0 HB THR A 67 3.968 5.435 14.172 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.334 3.130 13.589 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.489 6.390 12.469 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.935 6.932 14.105 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.881 5.658 13.301 1.00 0.00 H new ATOM 1060 N TYR A 68 4.471 2.380 15.761 1.00 0.00 N ATOM 1061 CA TYR A 68 3.537 1.424 16.372 1.00 0.00 C ATOM 1062 C TYR A 68 4.200 0.732 17.565 1.00 0.00 C ATOM 1063 O TYR A 68 3.590 -0.115 18.216 1.00 0.00 O ATOM 1064 CB TYR A 68 3.096 0.380 15.319 1.00 0.00 C ATOM 1065 CG TYR A 68 1.966 0.941 14.468 1.00 0.00 C ATOM 1066 CD1 TYR A 68 2.250 1.830 13.427 1.00 0.00 C ATOM 1067 CD2 TYR A 68 0.635 0.583 14.737 1.00 0.00 C ATOM 1068 CE1 TYR A 68 1.208 2.356 12.651 1.00 0.00 C ATOM 1069 CE2 TYR A 68 -0.403 1.108 13.960 1.00 0.00 C ATOM 1070 CZ TYR A 68 -0.117 1.995 12.919 1.00 0.00 C ATOM 1071 OH TYR A 68 -1.140 2.513 12.153 1.00 0.00 O ATOM 0 H TYR A 68 5.096 1.971 15.066 1.00 0.00 H new ATOM 0 HA TYR A 68 2.657 1.959 16.728 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.941 0.112 14.685 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.769 -0.533 15.816 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.272 2.111 13.221 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.413 -0.098 15.545 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.428 3.041 11.845 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.426 0.828 14.165 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.949 2.595 12.700 1.00 0.00 H new ATOM 1081 N ASP A 69 5.444 1.104 17.852 1.00 0.00 N ATOM 1082 CA ASP A 69 6.164 0.513 18.976 1.00 0.00 C ATOM 1083 C ASP A 69 6.141 -1.010 18.896 1.00 0.00 C ATOM 1084 O ASP A 69 5.828 -1.688 19.876 1.00 0.00 O ATOM 1085 CB ASP A 69 5.531 0.967 20.294 1.00 0.00 C ATOM 1086 CG ASP A 69 6.361 0.475 21.478 1.00 0.00 C ATOM 1087 OD1 ASP A 69 7.286 -0.291 21.257 1.00 0.00 O ATOM 1088 OD2 ASP A 69 6.059 0.872 22.591 1.00 0.00 O ATOM 0 H ASP A 69 5.970 1.804 17.329 1.00 0.00 H new ATOM 0 HA ASP A 69 7.201 0.847 18.933 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.462 2.055 20.316 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.514 0.581 20.369 1.00 0.00 H new ATOM 1093 N ALA A 70 6.464 -1.543 17.717 1.00 0.00 N ATOM 1094 CA ALA A 70 6.472 -2.995 17.494 1.00 0.00 C ATOM 1095 C ALA A 70 7.653 -3.392 16.615 1.00 0.00 C ATOM 1096 O ALA A 70 8.207 -2.565 15.891 1.00 0.00 O ATOM 1097 CB ALA A 70 5.166 -3.418 16.822 1.00 0.00 C ATOM 0 H ALA A 70 6.724 -0.993 16.899 1.00 0.00 H new ATOM 0 HA ALA A 70 6.567 -3.498 18.457 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.174 -4.495 16.657 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.325 -3.155 17.464 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.067 -2.906 15.865 1.00 0.00 H new ATOM 1103 N ASP A 71 8.041 -4.661 16.692 1.00 0.00 N ATOM 1104 CA ASP A 71 9.168 -5.153 15.908 1.00 0.00 C ATOM 1105 C ASP A 71 8.941 -4.883 14.409 1.00 0.00 C ATOM 1106 O ASP A 71 7.809 -4.962 13.939 1.00 0.00 O ATOM 1107 CB ASP A 71 9.345 -6.662 16.144 1.00 0.00 C ATOM 1108 CG ASP A 71 9.897 -6.922 17.546 1.00 0.00 C ATOM 1109 OD1 ASP A 71 9.876 -6.004 18.351 1.00 0.00 O ATOM 1110 OD2 ASP A 71 10.333 -8.034 17.792 1.00 0.00 O ATOM 0 H ASP A 71 7.596 -5.362 17.284 1.00 0.00 H new ATOM 0 HA ASP A 71 10.069 -4.628 16.224 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.388 -7.170 16.023 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.022 -7.076 15.397 1.00 0.00 H new ATOM 1115 N PRO A 72 9.979 -4.568 13.650 1.00 0.00 N ATOM 1116 CA PRO A 72 9.846 -4.285 12.182 1.00 0.00 C ATOM 1117 C PRO A 72 9.461 -5.537 11.386 1.00 0.00 C ATOM 1118 O PRO A 72 8.775 -5.454 10.368 1.00 0.00 O ATOM 1119 CB PRO A 72 11.250 -3.768 11.788 1.00 0.00 C ATOM 1120 CG PRO A 72 12.172 -4.403 12.780 1.00 0.00 C ATOM 1121 CD PRO A 72 11.383 -4.455 14.092 1.00 0.00 C ATOM 0 HA PRO A 72 9.053 -3.570 11.965 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.507 -4.053 10.768 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.301 -2.680 11.837 1.00 0.00 H new ATOM 0 HG2 PRO A 72 12.467 -5.402 12.459 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.087 -3.822 12.894 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.680 -5.306 14.705 1.00 0.00 H new ATOM 0 HD3 PRO A 72 11.543 -3.559 14.692 1.00 0.00 H new ATOM 1129 N ALA A 73 9.906 -6.696 11.857 1.00 0.00 N ATOM 1130 CA ALA A 73 9.603 -7.949 11.173 1.00 0.00 C ATOM 1131 C ALA A 73 8.098 -8.104 10.980 1.00 0.00 C ATOM 1132 O ALA A 73 7.640 -8.677 9.992 1.00 0.00 O ATOM 1133 CB ALA A 73 10.140 -9.128 11.986 1.00 0.00 C ATOM 0 H ALA A 73 10.472 -6.795 12.700 1.00 0.00 H new ATOM 0 HA ALA A 73 10.082 -7.933 10.194 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.911 -10.060 11.470 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.220 -9.031 12.097 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.673 -9.134 12.971 1.00 0.00 H new ATOM 1139 N ILE A 74 7.337 -7.598 11.941 1.00 0.00 N ATOM 1140 CA ILE A 74 5.883 -7.684 11.889 1.00 0.00 C ATOM 1141 C ILE A 74 5.310 -6.797 10.782 1.00 0.00 C ATOM 1142 O ILE A 74 4.392 -7.203 10.072 1.00 0.00 O ATOM 1143 CB ILE A 74 5.280 -7.268 13.238 1.00 0.00 C ATOM 1144 CG1 ILE A 74 5.889 -8.127 14.361 1.00 0.00 C ATOM 1145 CG2 ILE A 74 3.756 -7.469 13.203 1.00 0.00 C ATOM 1146 CD1 ILE A 74 5.475 -7.569 15.726 1.00 0.00 C ATOM 0 H ILE A 74 7.702 -7.123 12.767 1.00 0.00 H new ATOM 0 HA ILE A 74 5.621 -8.719 11.672 1.00 0.00 H new ATOM 0 HB ILE A 74 5.502 -6.218 13.426 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.554 -9.160 14.264 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.976 -8.135 14.276 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.328 -7.174 14.161 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.326 -6.857 12.410 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.532 -8.519 13.014 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.909 -8.181 16.516 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.832 -6.544 15.824 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.388 -7.584 15.811 1.00 0.00 H new ATOM 1158 N ILE A 75 5.826 -5.573 10.660 1.00 0.00 N ATOM 1159 CA ILE A 75 5.307 -4.645 9.653 1.00 0.00 C ATOM 1160 C ILE A 75 5.522 -5.185 8.243 1.00 0.00 C ATOM 1161 O ILE A 75 4.602 -5.166 7.426 1.00 0.00 O ATOM 1162 CB ILE A 75 5.997 -3.260 9.793 1.00 0.00 C ATOM 1163 CG1 ILE A 75 5.409 -2.501 11.000 1.00 0.00 C ATOM 1164 CG2 ILE A 75 5.787 -2.411 8.511 1.00 0.00 C ATOM 1165 CD1 ILE A 75 5.633 -3.294 12.293 1.00 0.00 C ATOM 0 H ILE A 75 6.587 -5.206 11.232 1.00 0.00 H new ATOM 0 HA ILE A 75 4.236 -4.535 9.820 1.00 0.00 H new ATOM 0 HB ILE A 75 7.064 -3.424 9.941 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.876 -1.520 11.083 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.342 -2.335 10.848 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.278 -1.445 8.630 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.215 -2.933 7.655 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.720 -2.258 8.347 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.212 -2.744 13.135 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.145 -4.265 12.213 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.702 -3.437 12.451 1.00 0.00 H new ATOM 1177 N GLU A 76 6.732 -5.638 7.948 1.00 0.00 N ATOM 1178 CA GLU A 76 7.014 -6.135 6.614 1.00 0.00 C ATOM 1179 C GLU A 76 6.113 -7.320 6.296 1.00 0.00 C ATOM 1180 O GLU A 76 5.521 -7.388 5.219 1.00 0.00 O ATOM 1181 CB GLU A 76 8.496 -6.522 6.478 1.00 0.00 C ATOM 1182 CG GLU A 76 8.905 -7.476 7.600 1.00 0.00 C ATOM 1183 CD GLU A 76 10.407 -7.725 7.549 1.00 0.00 C ATOM 1184 OE1 GLU A 76 11.139 -6.771 7.348 1.00 0.00 O ATOM 1185 OE2 GLU A 76 10.804 -8.867 7.710 1.00 0.00 O ATOM 0 H GLU A 76 7.516 -5.671 8.599 1.00 0.00 H new ATOM 0 HA GLU A 76 6.809 -5.341 5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.667 -6.994 5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.116 -5.626 6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.631 -7.053 8.566 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.368 -8.419 7.501 1.00 0.00 H new ATOM 1192 N ALA A 77 6.002 -8.239 7.244 1.00 0.00 N ATOM 1193 CA ALA A 77 5.162 -9.416 7.071 1.00 0.00 C ATOM 1194 C ALA A 77 3.688 -9.034 6.974 1.00 0.00 C ATOM 1195 O ALA A 77 2.882 -9.791 6.440 1.00 0.00 O ATOM 1196 CB ALA A 77 5.371 -10.382 8.237 1.00 0.00 C ATOM 0 H ALA A 77 6.483 -8.193 8.142 1.00 0.00 H new ATOM 0 HA ALA A 77 5.450 -9.902 6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.739 -11.260 8.100 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.416 -10.689 8.272 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.107 -9.887 9.171 1.00 0.00 H new ATOM 1202 N ASP A 78 3.337 -7.868 7.520 1.00 0.00 N ATOM 1203 CA ASP A 78 1.947 -7.404 7.501 1.00 0.00 C ATOM 1204 C ASP A 78 1.572 -6.823 6.136 1.00 0.00 C ATOM 1205 O ASP A 78 0.536 -7.165 5.572 1.00 0.00 O ATOM 1206 CB ASP A 78 1.743 -6.338 8.581 1.00 0.00 C ATOM 1207 CG ASP A 78 0.260 -5.985 8.707 1.00 0.00 C ATOM 1208 OD1 ASP A 78 -0.514 -6.438 7.879 1.00 0.00 O ATOM 1209 OD2 ASP A 78 -0.080 -5.269 9.636 1.00 0.00 O ATOM 0 H ASP A 78 3.990 -7.232 7.978 1.00 0.00 H new ATOM 0 HA ASP A 78 1.303 -8.261 7.697 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.119 -6.703 9.537 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.316 -5.445 8.333 1.00 0.00 H new ATOM 1214 N ILE A 79 2.412 -5.926 5.623 1.00 0.00 N ATOM 1215 CA ILE A 79 2.155 -5.284 4.329 1.00 0.00 C ATOM 1216 C ILE A 79 2.448 -6.232 3.163 1.00 0.00 C ATOM 1217 O ILE A 79 1.739 -6.223 2.158 1.00 0.00 O ATOM 1218 CB ILE A 79 2.988 -4.001 4.219 1.00 0.00 C ATOM 1219 CG1 ILE A 79 4.484 -4.357 4.194 1.00 0.00 C ATOM 1220 CG2 ILE A 79 2.670 -3.123 5.441 1.00 0.00 C ATOM 1221 CD1 ILE A 79 5.342 -3.085 4.222 1.00 0.00 C ATOM 0 H ILE A 79 3.274 -5.626 6.079 1.00 0.00 H new ATOM 0 HA ILE A 79 1.097 -5.028 4.272 1.00 0.00 H new ATOM 0 HB ILE A 79 2.747 -3.464 3.301 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.728 -4.986 5.050 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.711 -4.936 3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.250 -2.202 5.388 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.607 -2.882 5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.927 -3.662 6.353 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.397 -3.357 4.204 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.111 -2.471 3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.128 -2.522 5.131 1.00 0.00 H new ATOM 1233 N LEU A 80 3.496 -7.050 3.297 1.00 0.00 N ATOM 1234 CA LEU A 80 3.868 -7.998 2.237 1.00 0.00 C ATOM 1235 C LEU A 80 2.620 -8.704 1.657 1.00 0.00 C ATOM 1236 O LEU A 80 2.352 -8.586 0.462 1.00 0.00 O ATOM 1237 CB LEU A 80 4.895 -9.038 2.781 1.00 0.00 C ATOM 1238 CG LEU A 80 6.361 -8.550 2.588 1.00 0.00 C ATOM 1239 CD1 LEU A 80 7.297 -9.333 3.528 1.00 0.00 C ATOM 1240 CD2 LEU A 80 6.827 -8.771 1.131 1.00 0.00 C ATOM 0 H LEU A 80 4.098 -7.077 4.120 1.00 0.00 H new ATOM 0 HA LEU A 80 4.336 -7.440 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.707 -9.217 3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.757 -9.990 2.268 1.00 0.00 H new ATOM 0 HG LEU A 80 6.397 -7.485 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.322 -8.989 3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.995 -9.168 4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.237 -10.397 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.854 -8.422 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.776 -9.833 0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.180 -8.214 0.454 1.00 0.00 H new ATOM 1252 N PRO A 81 1.855 -9.420 2.455 1.00 0.00 N ATOM 1253 CA PRO A 81 0.629 -10.122 1.958 1.00 0.00 C ATOM 1254 C PRO A 81 -0.413 -9.134 1.420 1.00 0.00 C ATOM 1255 O PRO A 81 -1.165 -9.455 0.501 1.00 0.00 O ATOM 1256 CB PRO A 81 0.113 -10.882 3.204 1.00 0.00 C ATOM 1257 CG PRO A 81 0.666 -10.110 4.359 1.00 0.00 C ATOM 1258 CD PRO A 81 2.050 -9.650 3.898 1.00 0.00 C ATOM 0 HA PRO A 81 0.836 -10.786 1.119 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.976 -10.912 3.230 1.00 0.00 H new ATOM 0 HB3 PRO A 81 0.460 -11.915 3.213 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.030 -9.261 4.607 1.00 0.00 H new ATOM 0 HG3 PRO A 81 0.733 -10.730 5.253 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.367 -8.743 4.413 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.811 -10.407 4.088 1.00 0.00 H new ATOM 1266 N MET A 82 -0.452 -7.933 1.998 1.00 0.00 N ATOM 1267 CA MET A 82 -1.408 -6.922 1.556 1.00 0.00 C ATOM 1268 C MET A 82 -1.071 -6.469 0.140 1.00 0.00 C ATOM 1269 O MET A 82 -1.957 -6.310 -0.697 1.00 0.00 O ATOM 1270 CB MET A 82 -1.382 -5.717 2.512 1.00 0.00 C ATOM 1271 CG MET A 82 -2.486 -4.710 2.147 1.00 0.00 C ATOM 1272 SD MET A 82 -4.108 -5.424 2.535 1.00 0.00 S ATOM 1273 CE MET A 82 -4.239 -4.824 4.240 1.00 0.00 C ATOM 0 H MET A 82 0.158 -7.641 2.762 1.00 0.00 H new ATOM 0 HA MET A 82 -2.408 -7.356 1.561 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.518 -6.058 3.538 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.408 -5.230 2.465 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.344 -3.782 2.700 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.430 -4.461 1.087 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.182 -5.158 4.672 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.411 -5.218 4.829 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.203 -3.735 4.246 1.00 0.00 H new ATOM 1283 N LEU A 83 0.214 -6.257 -0.117 1.00 0.00 N ATOM 1284 CA LEU A 83 0.656 -5.812 -1.433 1.00 0.00 C ATOM 1285 C LEU A 83 0.319 -6.864 -2.485 1.00 0.00 C ATOM 1286 O LEU A 83 -0.137 -6.536 -3.580 1.00 0.00 O ATOM 1287 CB LEU A 83 2.171 -5.560 -1.413 1.00 0.00 C ATOM 1288 CG LEU A 83 2.509 -4.348 -0.512 1.00 0.00 C ATOM 1289 CD1 LEU A 83 4.028 -4.303 -0.282 1.00 0.00 C ATOM 1290 CD2 LEU A 83 2.050 -3.017 -1.162 1.00 0.00 C ATOM 0 H LEU A 83 0.964 -6.385 0.563 1.00 0.00 H new ATOM 0 HA LEU A 83 0.140 -4.885 -1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.688 -6.447 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.528 -5.378 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 83 1.982 -4.464 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.275 -3.452 0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.350 -5.224 0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.538 -4.202 -1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.302 -2.185 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.553 -2.887 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.972 -3.042 -1.319 1.00 0.00 H new ATOM 1302 N ALA A 84 0.539 -8.128 -2.145 1.00 0.00 N ATOM 1303 CA ALA A 84 0.246 -9.216 -3.069 1.00 0.00 C ATOM 1304 C ALA A 84 -1.248 -9.274 -3.363 1.00 0.00 C ATOM 1305 O ALA A 84 -1.661 -9.556 -4.489 1.00 0.00 O ATOM 1306 CB ALA A 84 0.703 -10.547 -2.471 1.00 0.00 C ATOM 0 H ALA A 84 0.916 -8.423 -1.244 1.00 0.00 H new ATOM 0 HA ALA A 84 0.783 -9.035 -4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.480 -11.355 -3.168 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.777 -10.513 -2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.178 -10.723 -1.532 1.00 0.00 H new ATOM 1312 N GLY A 85 -2.055 -9.005 -2.342 1.00 0.00 N ATOM 1313 CA GLY A 85 -3.505 -9.031 -2.497 1.00 0.00 C ATOM 1314 C GLY A 85 -3.972 -7.954 -3.469 1.00 0.00 C ATOM 1315 O GLY A 85 -4.890 -8.173 -4.257 1.00 0.00 O ATOM 0 H GLY A 85 -1.732 -8.768 -1.404 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.818 -10.011 -2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.980 -8.881 -1.528 1.00 0.00 H new ATOM 1319 N LEU A 86 -3.337 -6.789 -3.408 1.00 0.00 N ATOM 1320 CA LEU A 86 -3.696 -5.681 -4.288 1.00 0.00 C ATOM 1321 C LEU A 86 -3.329 -6.012 -5.733 1.00 0.00 C ATOM 1322 O LEU A 86 -4.043 -5.642 -6.665 1.00 0.00 O ATOM 1323 CB LEU A 86 -2.974 -4.401 -3.845 1.00 0.00 C ATOM 1324 CG LEU A 86 -3.489 -3.945 -2.461 1.00 0.00 C ATOM 1325 CD1 LEU A 86 -2.574 -2.834 -1.926 1.00 0.00 C ATOM 1326 CD2 LEU A 86 -4.948 -3.422 -2.547 1.00 0.00 C ATOM 0 H LEU A 86 -2.574 -6.587 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.772 -5.521 -4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.900 -4.579 -3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.136 -3.612 -4.579 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.477 -4.801 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.931 -2.507 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.557 -3.214 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.583 -1.991 -2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.281 -3.109 -1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.991 -2.573 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.598 -4.216 -2.914 1.00 0.00 H new ATOM 1338 N ALA A 87 -2.209 -6.703 -5.910 1.00 0.00 N ATOM 1339 CA ALA A 87 -1.750 -7.073 -7.245 1.00 0.00 C ATOM 1340 C ALA A 87 -2.851 -7.800 -8.016 1.00 0.00 C ATOM 1341 O ALA A 87 -2.891 -7.758 -9.246 1.00 0.00 O ATOM 1342 CB ALA A 87 -0.522 -7.979 -7.138 1.00 0.00 C ATOM 0 H ALA A 87 -1.604 -7.017 -5.151 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.490 -6.161 -7.783 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.183 -8.252 -8.137 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.276 -7.450 -6.616 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.782 -8.881 -6.584 1.00 0.00 H new ATOM 1348 N GLN A 88 -3.740 -8.464 -7.286 1.00 0.00 N ATOM 1349 CA GLN A 88 -4.837 -9.197 -7.912 1.00 0.00 C ATOM 1350 C GLN A 88 -5.740 -8.245 -8.690 1.00 0.00 C ATOM 1351 O GLN A 88 -6.408 -8.648 -9.642 1.00 0.00 O ATOM 1352 CB GLN A 88 -5.657 -9.922 -6.843 1.00 0.00 C ATOM 1353 CG GLN A 88 -4.790 -10.985 -6.167 1.00 0.00 C ATOM 1354 CD GLN A 88 -5.571 -11.655 -5.043 1.00 0.00 C ATOM 1355 OE1 GLN A 88 -6.757 -11.379 -4.861 1.00 0.00 O ATOM 1356 NE2 GLN A 88 -4.974 -12.520 -4.271 1.00 0.00 N ATOM 0 H GLN A 88 -3.724 -8.511 -6.267 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.415 -9.927 -8.603 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -6.020 -9.209 -6.103 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -6.534 -10.386 -7.295 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.477 -11.730 -6.898 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.884 -10.528 -5.770 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.991 -12.747 -4.424 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -5.490 -12.970 -3.514 1.00 0.00 H new ATOM 1365 N LYS A 89 -5.762 -6.978 -8.272 1.00 0.00 N ATOM 1366 CA LYS A 89 -6.592 -5.962 -8.926 1.00 0.00 C ATOM 1367 C LYS A 89 -5.777 -5.218 -9.979 1.00 0.00 C ATOM 1368 O LYS A 89 -6.292 -4.346 -10.677 1.00 0.00 O ATOM 1369 CB LYS A 89 -7.105 -4.964 -7.884 1.00 0.00 C ATOM 1370 CG LYS A 89 -7.879 -5.711 -6.786 1.00 0.00 C ATOM 1371 CD LYS A 89 -8.619 -4.710 -5.884 1.00 0.00 C ATOM 1372 CE LYS A 89 -7.622 -3.816 -5.130 1.00 0.00 C ATOM 1373 NZ LYS A 89 -8.317 -3.152 -3.990 1.00 0.00 N ATOM 0 H LYS A 89 -5.215 -6.630 -7.484 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.437 -6.455 -9.407 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.269 -4.419 -7.446 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.751 -4.227 -8.360 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.592 -6.400 -7.238 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.191 -6.310 -6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.284 -4.092 -6.487 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.243 -5.248 -5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.787 -4.413 -4.763 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.207 -3.066 -5.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.966 -2.178 -3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.341 -3.134 -4.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.130 -3.680 -3.114 1.00 0.00 H new ATOM 1387 N ARG A 90 -4.503 -5.579 -10.085 1.00 0.00 N ATOM 1388 CA ARG A 90 -3.613 -4.954 -11.057 1.00 0.00 C ATOM 1389 C ARG A 90 -3.516 -3.451 -10.784 1.00 0.00 C ATOM 1390 O ARG A 90 -3.481 -2.640 -11.708 1.00 0.00 O ATOM 1391 CB ARG A 90 -4.141 -5.211 -12.483 1.00 0.00 C ATOM 1392 CG ARG A 90 -3.036 -4.971 -13.526 1.00 0.00 C ATOM 1393 CD ARG A 90 -3.612 -5.138 -14.933 1.00 0.00 C ATOM 1394 NE ARG A 90 -2.540 -5.068 -15.923 1.00 0.00 N ATOM 1395 CZ ARG A 90 -2.800 -4.903 -17.218 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -1.820 -4.847 -18.078 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -4.035 -4.797 -17.629 1.00 0.00 N ATOM 0 H ARG A 90 -4.064 -6.299 -9.512 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.617 -5.387 -10.967 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.505 -6.235 -12.562 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.988 -4.555 -12.686 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.622 -3.969 -13.408 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.218 -5.674 -13.372 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.129 -6.094 -15.012 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.350 -4.359 -15.128 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.571 -5.147 -15.615 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.855 -4.930 -17.758 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.019 -4.721 -19.070 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.802 -4.841 -16.957 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.233 -4.671 -18.622 1.00 0.00 H new ATOM 1411 N VAL A 91 -3.477 -3.085 -9.499 1.00 0.00 N ATOM 1412 CA VAL A 91 -3.381 -1.675 -9.092 1.00 0.00 C ATOM 1413 C VAL A 91 -2.009 -1.388 -8.495 1.00 0.00 C ATOM 1414 O VAL A 91 -1.707 -0.252 -8.141 1.00 0.00 O ATOM 1415 CB VAL A 91 -4.464 -1.355 -8.058 1.00 0.00 C ATOM 1416 CG1 VAL A 91 -5.842 -1.628 -8.667 1.00 0.00 C ATOM 1417 CG2 VAL A 91 -4.272 -2.226 -6.810 1.00 0.00 C ATOM 0 H VAL A 91 -3.510 -3.744 -8.721 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.524 -1.049 -9.973 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.390 -0.306 -7.773 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.615 -1.401 -7.933 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.982 -1.000 -9.547 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.911 -2.677 -8.955 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.047 -1.992 -6.080 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.340 -3.278 -7.087 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.292 -2.028 -6.375 1.00 0.00 H new ATOM 1427 N LEU A 92 -1.184 -2.435 -8.370 1.00 0.00 N ATOM 1428 CA LEU A 92 0.169 -2.307 -7.796 1.00 0.00 C ATOM 1429 C LEU A 92 1.231 -2.589 -8.849 1.00 0.00 C ATOM 1430 O LEU A 92 1.062 -3.449 -9.712 1.00 0.00 O ATOM 1431 CB LEU A 92 0.332 -3.290 -6.624 1.00 0.00 C ATOM 1432 CG LEU A 92 1.680 -3.074 -5.898 1.00 0.00 C ATOM 1433 CD1 LEU A 92 1.727 -1.689 -5.206 1.00 0.00 C ATOM 1434 CD2 LEU A 92 1.867 -4.188 -4.856 1.00 0.00 C ATOM 0 H LEU A 92 -1.427 -3.383 -8.658 1.00 0.00 H new ATOM 0 HA LEU A 92 0.296 -1.285 -7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.489 -3.159 -5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.275 -4.314 -6.994 1.00 0.00 H new ATOM 0 HG LEU A 92 2.486 -3.107 -6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.687 -1.566 -4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.605 -0.905 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.923 -1.621 -4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.815 -4.046 -4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.050 -4.153 -4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.868 -5.157 -5.355 1.00 0.00 H new ATOM 1446 N GLU A 93 2.332 -1.844 -8.759 1.00 0.00 N ATOM 1447 CA GLU A 93 3.449 -1.990 -9.692 1.00 0.00 C ATOM 1448 C GLU A 93 4.745 -1.595 -9.006 1.00 0.00 C ATOM 1449 O GLU A 93 4.761 -0.737 -8.123 1.00 0.00 O ATOM 1450 CB GLU A 93 3.220 -1.083 -10.898 1.00 0.00 C ATOM 1451 CG GLU A 93 4.210 -1.376 -12.022 1.00 0.00 C ATOM 1452 CD GLU A 93 3.889 -2.718 -12.681 1.00 0.00 C ATOM 1453 OE1 GLU A 93 2.869 -3.297 -12.339 1.00 0.00 O ATOM 1454 OE2 GLU A 93 4.661 -3.140 -13.524 1.00 0.00 O ATOM 0 H GLU A 93 2.475 -1.129 -8.045 1.00 0.00 H new ATOM 0 HA GLU A 93 3.515 -3.028 -10.018 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.203 -1.216 -11.266 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.314 -0.041 -10.593 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.171 -0.580 -12.766 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.225 -1.392 -11.626 1.00 0.00 H new ATOM 1461 N ARG A 94 5.825 -2.209 -9.433 1.00 0.00 N ATOM 1462 CA ARG A 94 7.126 -1.910 -8.879 1.00 0.00 C ATOM 1463 C ARG A 94 7.509 -0.464 -9.179 1.00 0.00 C ATOM 1464 O ARG A 94 8.446 0.020 -8.567 1.00 0.00 O ATOM 1465 CB ARG A 94 8.142 -2.864 -9.492 1.00 0.00 C ATOM 1466 CG ARG A 94 7.820 -4.288 -9.034 1.00 0.00 C ATOM 1467 CD ARG A 94 8.766 -5.274 -9.714 1.00 0.00 C ATOM 1468 NE ARG A 94 8.467 -5.347 -11.139 1.00 0.00 N ATOM 1469 CZ ARG A 94 9.194 -6.102 -11.954 1.00 0.00 C ATOM 1470 NH1 ARG A 94 8.900 -6.161 -13.224 1.00 0.00 N ATOM 1471 NH2 ARG A 94 10.202 -6.783 -11.483 1.00 0.00 N ATOM 1472 OXT ARG A 94 6.855 0.139 -10.015 1.00 0.00 O ATOM 0 H ARG A 94 5.828 -2.920 -10.164 1.00 0.00 H new ATOM 0 HA ARG A 94 7.106 -2.036 -7.796 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.110 -2.801 -10.580 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.151 -2.588 -9.186 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.918 -4.363 -7.951 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.786 -4.534 -9.278 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.799 -4.961 -9.566 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.664 -6.260 -9.261 1.00 0.00 H new ATOM 0 HE ARG A 94 7.687 -4.809 -11.516 1.00 0.00 H new ATOM 0 HH11 ARG A 94 8.112 -5.627 -13.590 1.00 0.00 H new ATOM 0 HH12 ARG A 94 9.458 -6.741 -13.850 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.431 -6.735 -10.490 1.00 0.00 H new ATOM 0 HH22 ARG A 94 10.762 -7.364 -12.108 1.00 0.00 H new TER 1486 ARG A 94