USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 569 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 MET CE :methyl 173:sc= -0.0169 (180deg=-0.104) USER MOD Single : A 7 THR OG1 : rot -170:sc= -0.0367 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HE2:sc= 0.45 K(o=0.45,f=-1.5!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot -82:sc= 1.22 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0314 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.814 K(o=-0.81,f=-3.1!) USER MOD Single : A 60 GLN : amide:sc= -2.15 K(o=-2.1,f=-4.3!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.47) USER MOD Single : A 71 THR OG1 : rot 51:sc= 0.228 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 1.191 -0.703 -3.496 1.00 0.00 N ATOM 19 CA ASP A 2 0.598 -1.927 -4.021 1.00 0.00 C ATOM 20 C ASP A 2 1.024 -2.161 -5.467 1.00 0.00 C ATOM 21 O ASP A 2 0.189 -2.386 -6.342 1.00 0.00 O ATOM 22 CB ASP A 2 -0.928 -1.859 -3.931 1.00 0.00 C ATOM 23 CG ASP A 2 -1.579 -3.218 -4.098 1.00 0.00 C ATOM 24 OD1 ASP A 2 -0.841 -4.221 -4.200 1.00 0.00 O ATOM 25 OD2 ASP A 2 -2.826 -3.279 -4.124 1.00 0.00 O ATOM 0 HA ASP A 2 0.954 -2.762 -3.417 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.214 -1.439 -2.967 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.304 -1.182 -4.698 1.00 0.00 H new ATOM 30 N ARG A 3 2.330 -2.105 -5.709 1.00 0.00 N ATOM 31 CA ARG A 3 2.867 -2.308 -7.049 1.00 0.00 C ATOM 32 C ARG A 3 2.682 -3.755 -7.496 1.00 0.00 C ATOM 33 O ARG A 3 2.623 -4.667 -6.670 1.00 0.00 O ATOM 34 CB ARG A 3 4.351 -1.938 -7.088 1.00 0.00 C ATOM 35 CG ARG A 3 5.186 -2.656 -6.041 1.00 0.00 C ATOM 36 CD ARG A 3 6.641 -2.767 -6.469 1.00 0.00 C ATOM 37 NE ARG A 3 7.420 -1.599 -6.069 1.00 0.00 N ATOM 38 CZ ARG A 3 7.749 -1.330 -4.811 1.00 0.00 C ATOM 39 NH1 ARG A 3 7.368 -2.143 -3.835 1.00 0.00 N ATOM 40 NH2 ARG A 3 8.460 -0.246 -4.526 1.00 0.00 N ATOM 0 H ARG A 3 3.035 -1.921 -4.995 1.00 0.00 H new ATOM 0 HA ARG A 3 2.319 -1.661 -7.734 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.748 -2.168 -8.077 1.00 0.00 H new ATOM 0 HB3 ARG A 3 4.452 -0.862 -6.946 1.00 0.00 H new ATOM 0 HG2 ARG A 3 5.124 -2.120 -5.094 1.00 0.00 H new ATOM 0 HG3 ARG A 3 4.779 -3.653 -5.870 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.080 -3.663 -6.031 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.692 -2.884 -7.552 1.00 0.00 H new ATOM 0 HE ARG A 3 7.729 -0.954 -6.796 1.00 0.00 H new ATOM 0 HH11 ARG A 3 6.821 -2.977 -4.050 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.622 -1.935 -2.869 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.755 0.382 -5.274 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.712 -0.041 -3.559 1.00 0.00 H new ATOM 54 N ILE A 4 2.589 -3.958 -8.806 1.00 0.00 N ATOM 55 CA ILE A 4 2.410 -5.293 -9.361 1.00 0.00 C ATOM 56 C ILE A 4 3.269 -5.491 -10.606 1.00 0.00 C ATOM 57 O ILE A 4 2.988 -4.925 -11.663 1.00 0.00 O ATOM 58 CB ILE A 4 0.937 -5.562 -9.720 1.00 0.00 C ATOM 59 CG1 ILE A 4 0.054 -5.431 -8.477 1.00 0.00 C ATOM 60 CG2 ILE A 4 0.786 -6.942 -10.341 1.00 0.00 C ATOM 61 CD1 ILE A 4 -1.420 -5.304 -8.793 1.00 0.00 C ATOM 0 H ILE A 4 2.635 -3.214 -9.503 1.00 0.00 H new ATOM 0 HA ILE A 4 2.722 -5.998 -8.591 1.00 0.00 H new ATOM 0 HB ILE A 4 0.615 -4.820 -10.451 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.207 -6.302 -7.839 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.371 -4.558 -7.906 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.261 -7.117 -10.589 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.388 -7.001 -11.247 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.122 -7.699 -9.632 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.985 -5.215 -7.865 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.586 -4.417 -9.405 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.753 -6.188 -9.337 1.00 0.00 H new ATOM 73 N PHE A 5 4.316 -6.298 -10.473 1.00 0.00 N ATOM 74 CA PHE A 5 5.216 -6.571 -11.588 1.00 0.00 C ATOM 75 C PHE A 5 4.558 -7.501 -12.603 1.00 0.00 C ATOM 76 O PHE A 5 3.662 -8.273 -12.264 1.00 0.00 O ATOM 77 CB PHE A 5 6.518 -7.194 -11.078 1.00 0.00 C ATOM 78 CG PHE A 5 6.339 -8.566 -10.496 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.020 -8.729 -9.157 1.00 0.00 C ATOM 80 CD2 PHE A 5 6.487 -9.694 -11.286 1.00 0.00 C ATOM 81 CE1 PHE A 5 5.855 -9.990 -8.618 1.00 0.00 C ATOM 82 CE2 PHE A 5 6.323 -10.959 -10.753 1.00 0.00 C ATOM 83 CZ PHE A 5 6.006 -11.107 -9.417 1.00 0.00 C ATOM 0 H PHE A 5 4.562 -6.774 -9.605 1.00 0.00 H new ATOM 0 HA PHE A 5 5.441 -5.625 -12.081 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.232 -7.247 -11.900 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.952 -6.541 -10.321 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.899 -7.860 -8.528 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.734 -9.584 -12.332 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.608 -10.103 -7.573 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.443 -11.830 -11.380 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.876 -12.094 -8.998 1.00 0.00 H new ATOM 93 N MET A 6 5.010 -7.419 -13.851 1.00 0.00 N ATOM 94 CA MET A 6 4.465 -8.253 -14.916 1.00 0.00 C ATOM 95 C MET A 6 5.443 -8.352 -16.083 1.00 0.00 C ATOM 96 O MET A 6 6.209 -7.424 -16.344 1.00 0.00 O ATOM 97 CB MET A 6 3.129 -7.689 -15.402 1.00 0.00 C ATOM 98 CG MET A 6 2.068 -8.753 -15.632 1.00 0.00 C ATOM 99 SD MET A 6 1.479 -9.491 -14.096 1.00 0.00 S ATOM 100 CE MET A 6 0.187 -8.338 -13.640 1.00 0.00 C ATOM 0 H MET A 6 5.751 -6.784 -14.149 1.00 0.00 H new ATOM 0 HA MET A 6 4.304 -9.253 -14.514 1.00 0.00 H new ATOM 0 HB2 MET A 6 2.759 -6.971 -14.670 1.00 0.00 H new ATOM 0 HB3 MET A 6 3.291 -7.142 -16.331 1.00 0.00 H new ATOM 0 HG2 MET A 6 1.226 -8.311 -16.165 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.476 -9.535 -16.273 1.00 0.00 H new ATOM 0 HE1 MET A 6 -0.356 -8.723 -12.777 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.631 -7.375 -13.389 1.00 0.00 H new ATOM 0 HE3 MET A 6 -0.501 -8.213 -14.476 1.00 0.00 H new ATOM 110 N THR A 7 5.412 -9.482 -16.781 1.00 0.00 N ATOM 111 CA THR A 7 6.296 -9.702 -17.919 1.00 0.00 C ATOM 112 C THR A 7 5.619 -9.307 -19.226 1.00 0.00 C ATOM 113 O THR A 7 4.480 -8.840 -19.229 1.00 0.00 O ATOM 114 CB THR A 7 6.741 -11.174 -18.008 1.00 0.00 C ATOM 115 OG1 THR A 7 5.644 -11.993 -18.429 1.00 0.00 O ATOM 116 CG2 THR A 7 7.261 -11.665 -16.666 1.00 0.00 C ATOM 0 H THR A 7 4.784 -10.260 -16.578 1.00 0.00 H new ATOM 0 HA THR A 7 7.173 -9.074 -17.764 1.00 0.00 H new ATOM 0 HB THR A 7 7.547 -11.243 -18.739 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.885 -12.938 -18.332 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.569 -12.707 -16.754 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.114 -11.059 -16.363 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.473 -11.582 -15.918 1.00 0.00 H new ATOM 124 N ARG A 8 6.326 -9.499 -20.335 1.00 0.00 N ATOM 125 CA ARG A 8 5.792 -9.162 -21.649 1.00 0.00 C ATOM 126 C ARG A 8 4.503 -9.930 -21.926 1.00 0.00 C ATOM 127 O ARG A 8 3.539 -9.378 -22.456 1.00 0.00 O ATOM 128 CB ARG A 8 6.824 -9.468 -22.736 1.00 0.00 C ATOM 129 CG ARG A 8 7.329 -10.902 -22.711 1.00 0.00 C ATOM 130 CD ARG A 8 8.491 -11.101 -23.670 1.00 0.00 C ATOM 131 NE ARG A 8 9.771 -10.752 -23.059 1.00 0.00 N ATOM 132 CZ ARG A 8 10.920 -10.723 -23.725 1.00 0.00 C ATOM 133 NH1 ARG A 8 10.949 -11.019 -25.017 1.00 0.00 N ATOM 134 NH2 ARG A 8 12.043 -10.396 -23.099 1.00 0.00 N ATOM 0 H ARG A 8 7.270 -9.886 -20.350 1.00 0.00 H new ATOM 0 HA ARG A 8 5.568 -8.095 -21.660 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.383 -9.264 -23.712 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.671 -8.792 -22.622 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.642 -11.161 -21.700 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.517 -11.579 -22.976 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.517 -12.140 -23.997 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.336 -10.491 -24.560 1.00 0.00 H new ATOM 0 HE ARG A 8 9.783 -10.518 -22.066 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.088 -11.270 -25.502 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.833 -10.996 -25.526 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.025 -10.167 -22.105 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.925 -10.374 -23.611 1.00 0.00 H new ATOM 148 N THR A 9 4.493 -11.210 -21.563 1.00 0.00 N ATOM 149 CA THR A 9 3.325 -12.054 -21.774 1.00 0.00 C ATOM 150 C THR A 9 2.313 -11.884 -20.647 1.00 0.00 C ATOM 151 O THR A 9 1.129 -11.658 -20.893 1.00 0.00 O ATOM 152 CB THR A 9 3.717 -13.541 -21.876 1.00 0.00 C ATOM 153 OG1 THR A 9 4.800 -13.699 -22.798 1.00 0.00 O ATOM 154 CG2 THR A 9 2.533 -14.383 -22.326 1.00 0.00 C ATOM 0 H THR A 9 5.281 -11.683 -21.122 1.00 0.00 H new ATOM 0 HA THR A 9 2.874 -11.739 -22.715 1.00 0.00 H new ATOM 0 HB THR A 9 4.029 -13.881 -20.888 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.045 -14.646 -22.856 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.834 -15.429 -22.391 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.721 -14.283 -21.606 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.195 -14.042 -23.304 1.00 0.00 H new ATOM 162 N GLU A 10 2.787 -11.993 -19.410 1.00 0.00 N ATOM 163 CA GLU A 10 1.922 -11.851 -18.245 1.00 0.00 C ATOM 164 C GLU A 10 1.270 -10.471 -18.216 1.00 0.00 C ATOM 165 O GLU A 10 0.255 -10.266 -17.551 1.00 0.00 O ATOM 166 CB GLU A 10 2.720 -12.077 -16.958 1.00 0.00 C ATOM 167 CG GLU A 10 2.792 -13.534 -16.535 1.00 0.00 C ATOM 168 CD GLU A 10 3.737 -14.346 -17.400 1.00 0.00 C ATOM 169 OE1 GLU A 10 3.333 -14.736 -18.515 1.00 0.00 O ATOM 170 OE2 GLU A 10 4.880 -14.592 -16.961 1.00 0.00 O ATOM 0 H GLU A 10 3.765 -12.179 -19.189 1.00 0.00 H new ATOM 0 HA GLU A 10 1.137 -12.604 -18.314 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.732 -11.697 -17.097 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.269 -11.496 -16.154 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.116 -13.591 -15.496 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.795 -13.972 -16.582 1.00 0.00 H new ATOM 177 N ALA A 11 1.862 -9.529 -18.943 1.00 0.00 N ATOM 178 CA ALA A 11 1.339 -8.170 -19.003 1.00 0.00 C ATOM 179 C ALA A 11 -0.150 -8.168 -19.331 1.00 0.00 C ATOM 180 O ALA A 11 -0.884 -7.265 -18.928 1.00 0.00 O ATOM 181 CB ALA A 11 2.109 -7.353 -20.030 1.00 0.00 C ATOM 0 H ALA A 11 2.704 -9.682 -19.498 1.00 0.00 H new ATOM 0 HA ALA A 11 1.468 -7.714 -18.021 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.708 -6.340 -20.064 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.162 -7.317 -19.751 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.010 -7.816 -21.012 1.00 0.00 H new ATOM 187 N LEU A 12 -0.590 -9.184 -20.066 1.00 0.00 N ATOM 188 CA LEU A 12 -1.993 -9.300 -20.449 1.00 0.00 C ATOM 189 C LEU A 12 -2.903 -9.148 -19.235 1.00 0.00 C ATOM 190 O LEU A 12 -3.906 -8.437 -19.285 1.00 0.00 O ATOM 191 CB LEU A 12 -2.247 -10.647 -21.127 1.00 0.00 C ATOM 192 CG LEU A 12 -1.409 -10.941 -22.372 1.00 0.00 C ATOM 193 CD1 LEU A 12 -1.185 -12.437 -22.523 1.00 0.00 C ATOM 194 CD2 LEU A 12 -2.081 -10.373 -23.613 1.00 0.00 C ATOM 0 H LEU A 12 0.004 -9.939 -20.408 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.220 -8.498 -21.152 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.068 -11.437 -20.398 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.300 -10.700 -21.402 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.438 -10.459 -22.256 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.587 -12.627 -23.414 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.661 -12.817 -21.646 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.147 -12.941 -22.617 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.471 -10.591 -24.489 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.065 -10.826 -23.734 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.189 -9.294 -23.506 1.00 0.00 H new ATOM 206 N GLU A 13 -2.546 -9.821 -18.146 1.00 0.00 N ATOM 207 CA GLU A 13 -3.331 -9.760 -16.918 1.00 0.00 C ATOM 208 C GLU A 13 -3.584 -8.313 -16.506 1.00 0.00 C ATOM 209 O GLU A 13 -4.699 -7.947 -16.134 1.00 0.00 O ATOM 210 CB GLU A 13 -2.614 -10.505 -15.790 1.00 0.00 C ATOM 211 CG GLU A 13 -3.529 -10.895 -14.641 1.00 0.00 C ATOM 212 CD GLU A 13 -2.927 -11.968 -13.755 1.00 0.00 C ATOM 213 OE1 GLU A 13 -3.130 -13.164 -14.053 1.00 0.00 O ATOM 214 OE2 GLU A 13 -2.255 -11.614 -12.765 1.00 0.00 O ATOM 0 H GLU A 13 -1.719 -10.415 -18.089 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.291 -10.239 -17.107 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.151 -11.404 -16.196 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.809 -9.878 -15.406 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.747 -10.013 -14.040 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.478 -11.250 -15.042 1.00 0.00 H new ATOM 221 N PHE A 14 -2.540 -7.493 -16.575 1.00 0.00 N ATOM 222 CA PHE A 14 -2.647 -6.086 -16.208 1.00 0.00 C ATOM 223 C PHE A 14 -3.521 -5.329 -17.204 1.00 0.00 C ATOM 224 O PHE A 14 -4.400 -4.558 -16.816 1.00 0.00 O ATOM 225 CB PHE A 14 -1.259 -5.446 -16.142 1.00 0.00 C ATOM 226 CG PHE A 14 -1.293 -3.952 -15.993 1.00 0.00 C ATOM 227 CD1 PHE A 14 -2.164 -3.352 -15.098 1.00 0.00 C ATOM 228 CD2 PHE A 14 -0.455 -3.148 -16.748 1.00 0.00 C ATOM 229 CE1 PHE A 14 -2.198 -1.977 -14.959 1.00 0.00 C ATOM 230 CE2 PHE A 14 -0.484 -1.773 -16.614 1.00 0.00 C ATOM 231 CZ PHE A 14 -1.356 -1.187 -15.717 1.00 0.00 C ATOM 0 H PHE A 14 -1.610 -7.779 -16.882 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.113 -6.028 -15.224 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.710 -5.874 -15.303 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.707 -5.700 -17.047 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.824 -3.965 -14.502 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.229 -3.601 -17.450 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.882 -1.521 -14.259 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.174 -1.157 -17.210 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.379 -0.113 -15.609 1.00 0.00 H new ATOM 241 N LEU A 15 -3.273 -5.554 -18.490 1.00 0.00 N ATOM 242 CA LEU A 15 -4.037 -4.894 -19.543 1.00 0.00 C ATOM 243 C LEU A 15 -5.535 -5.070 -19.322 1.00 0.00 C ATOM 244 O LEU A 15 -6.308 -4.118 -19.442 1.00 0.00 O ATOM 245 CB LEU A 15 -3.643 -5.452 -20.912 1.00 0.00 C ATOM 246 CG LEU A 15 -2.429 -4.802 -21.578 1.00 0.00 C ATOM 247 CD1 LEU A 15 -1.726 -5.794 -22.491 1.00 0.00 C ATOM 248 CD2 LEU A 15 -2.848 -3.563 -22.356 1.00 0.00 C ATOM 0 H LEU A 15 -2.549 -6.188 -18.828 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.807 -3.829 -19.511 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.445 -6.519 -20.804 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.497 -5.352 -21.582 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.730 -4.499 -20.799 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.865 -5.314 -22.956 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.392 -6.652 -21.907 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.417 -6.129 -23.265 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.972 -3.113 -22.823 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.567 -3.843 -23.126 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.306 -2.844 -21.676 1.00 0.00 H new ATOM 260 N LEU A 16 -5.940 -6.292 -18.996 1.00 0.00 N ATOM 261 CA LEU A 16 -7.347 -6.593 -18.755 1.00 0.00 C ATOM 262 C LEU A 16 -7.753 -6.201 -17.337 1.00 0.00 C ATOM 263 O LEU A 16 -8.921 -5.919 -17.070 1.00 0.00 O ATOM 264 CB LEU A 16 -7.617 -8.082 -18.981 1.00 0.00 C ATOM 265 CG LEU A 16 -9.054 -8.457 -19.343 1.00 0.00 C ATOM 266 CD1 LEU A 16 -9.410 -7.936 -20.727 1.00 0.00 C ATOM 267 CD2 LEU A 16 -9.247 -9.964 -19.272 1.00 0.00 C ATOM 0 H LEU A 16 -5.314 -7.091 -18.892 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.943 -6.011 -19.458 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.960 -8.433 -19.777 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.339 -8.622 -18.076 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.723 -7.991 -18.619 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.437 -8.213 -20.967 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.314 -6.850 -20.743 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.735 -8.371 -21.464 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.276 -10.212 -19.533 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.568 -10.451 -19.972 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.036 -10.311 -18.260 1.00 0.00 H new ATOM 279 N LYS A 17 -6.780 -6.184 -16.433 1.00 0.00 N ATOM 280 CA LYS A 17 -7.033 -5.824 -15.043 1.00 0.00 C ATOM 281 C LYS A 17 -7.568 -4.399 -14.939 1.00 0.00 C ATOM 282 O LYS A 17 -8.629 -4.165 -14.362 1.00 0.00 O ATOM 283 CB LYS A 17 -5.752 -5.960 -14.217 1.00 0.00 C ATOM 284 CG LYS A 17 -5.868 -5.388 -12.815 1.00 0.00 C ATOM 285 CD LYS A 17 -4.553 -5.491 -12.060 1.00 0.00 C ATOM 286 CE LYS A 17 -4.780 -5.744 -10.578 1.00 0.00 C ATOM 287 NZ LYS A 17 -5.016 -7.186 -10.290 1.00 0.00 N ATOM 0 H LYS A 17 -5.808 -6.416 -16.638 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.786 -6.507 -14.649 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.484 -7.014 -14.149 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.938 -5.457 -14.739 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.175 -4.344 -12.871 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.646 -5.920 -12.267 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.953 -6.298 -12.480 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.984 -4.570 -12.190 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.914 -5.398 -10.014 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.636 -5.161 -10.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.166 -7.316 -9.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.858 -7.510 -10.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.189 -7.740 -10.592 1.00 0.00 H new ATOM 301 N ALA A 18 -6.827 -3.451 -15.504 1.00 0.00 N ATOM 302 CA ALA A 18 -7.229 -2.050 -15.478 1.00 0.00 C ATOM 303 C ALA A 18 -8.634 -1.872 -16.044 1.00 0.00 C ATOM 304 O ALA A 18 -9.365 -0.966 -15.643 1.00 0.00 O ATOM 305 CB ALA A 18 -6.233 -1.201 -16.254 1.00 0.00 C ATOM 0 H ALA A 18 -5.945 -3.628 -15.985 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.240 -1.719 -14.439 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.545 -0.157 -16.226 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.245 -1.296 -15.803 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.194 -1.541 -17.289 1.00 0.00 H new ATOM 311 N HIS A 19 -9.005 -2.740 -16.980 1.00 0.00 N ATOM 312 CA HIS A 19 -10.323 -2.678 -17.601 1.00 0.00 C ATOM 313 C HIS A 19 -11.393 -3.228 -16.663 1.00 0.00 C ATOM 314 O HIS A 19 -12.402 -2.572 -16.405 1.00 0.00 O ATOM 315 CB HIS A 19 -10.328 -3.461 -18.915 1.00 0.00 C ATOM 316 CG HIS A 19 -9.932 -2.640 -20.103 1.00 0.00 C ATOM 317 ND1 HIS A 19 -8.685 -2.711 -20.685 1.00 0.00 N ATOM 318 CD2 HIS A 19 -10.629 -1.727 -20.820 1.00 0.00 C ATOM 319 CE1 HIS A 19 -8.630 -1.877 -21.708 1.00 0.00 C ATOM 320 NE2 HIS A 19 -9.797 -1.267 -21.811 1.00 0.00 N ATOM 0 H HIS A 19 -8.411 -3.494 -17.325 1.00 0.00 H new ATOM 0 HA HIS A 19 -10.551 -1.632 -17.809 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -9.648 -4.308 -18.826 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -11.325 -3.869 -19.082 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -7.923 -3.314 -20.374 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -11.649 -1.418 -20.645 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.776 -1.721 -22.351 1.00 0.00 H new ATOM 328 N GLN A 20 -11.165 -4.436 -16.157 1.00 0.00 N ATOM 329 CA GLN A 20 -12.110 -5.074 -15.249 1.00 0.00 C ATOM 330 C GLN A 20 -12.426 -4.165 -14.065 1.00 0.00 C ATOM 331 O GLN A 20 -13.544 -4.166 -13.548 1.00 0.00 O ATOM 332 CB GLN A 20 -11.550 -6.406 -14.749 1.00 0.00 C ATOM 333 CG GLN A 20 -12.569 -7.253 -14.003 1.00 0.00 C ATOM 334 CD GLN A 20 -11.927 -8.373 -13.208 1.00 0.00 C ATOM 335 OE1 GLN A 20 -11.444 -8.162 -12.095 1.00 0.00 O ATOM 336 NE2 GLN A 20 -11.918 -9.573 -13.776 1.00 0.00 N ATOM 0 H GLN A 20 -10.334 -4.992 -16.361 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.033 -5.260 -15.798 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.171 -6.973 -15.599 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.702 -6.211 -14.093 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.141 -6.616 -13.329 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.275 -7.678 -14.717 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.330 -9.703 -14.700 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.499 -10.365 -13.288 1.00 0.00 H new ATOM 345 N THR A 21 -11.433 -3.390 -13.639 1.00 0.00 N ATOM 346 CA THR A 21 -11.604 -2.478 -12.515 1.00 0.00 C ATOM 347 C THR A 21 -12.320 -1.203 -12.945 1.00 0.00 C ATOM 348 O THR A 21 -13.128 -0.652 -12.199 1.00 0.00 O ATOM 349 CB THR A 21 -10.249 -2.104 -11.884 1.00 0.00 C ATOM 350 OG1 THR A 21 -9.238 -2.042 -12.896 1.00 0.00 O ATOM 351 CG2 THR A 21 -9.849 -3.117 -10.822 1.00 0.00 C ATOM 0 H THR A 21 -10.502 -3.376 -14.056 1.00 0.00 H new ATOM 0 HA THR A 21 -12.210 -3.000 -11.774 1.00 0.00 H new ATOM 0 HB THR A 21 -10.350 -1.127 -11.412 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.904 -2.945 -13.080 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.889 -2.832 -10.391 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.606 -3.141 -10.038 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.764 -4.105 -11.275 1.00 0.00 H new ATOM 359 N ALA A 22 -12.019 -0.740 -14.154 1.00 0.00 N ATOM 360 CA ALA A 22 -12.637 0.469 -14.685 1.00 0.00 C ATOM 361 C ALA A 22 -14.123 0.254 -14.951 1.00 0.00 C ATOM 362 O ALA A 22 -14.929 1.174 -14.807 1.00 0.00 O ATOM 363 CB ALA A 22 -11.929 0.908 -15.958 1.00 0.00 C ATOM 0 H ALA A 22 -11.351 -1.184 -14.784 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.539 1.256 -13.938 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.401 1.812 -16.344 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.881 1.111 -15.740 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.998 0.116 -16.704 1.00 0.00 H new ATOM 369 N VAL A 23 -14.480 -0.965 -15.342 1.00 0.00 N ATOM 370 CA VAL A 23 -15.869 -1.300 -15.628 1.00 0.00 C ATOM 371 C VAL A 23 -16.660 -1.514 -14.342 1.00 0.00 C ATOM 372 O VAL A 23 -17.865 -1.267 -14.293 1.00 0.00 O ATOM 373 CB VAL A 23 -15.974 -2.567 -16.498 1.00 0.00 C ATOM 374 CG1 VAL A 23 -17.424 -2.848 -16.862 1.00 0.00 C ATOM 375 CG2 VAL A 23 -15.119 -2.427 -17.748 1.00 0.00 C ATOM 0 H VAL A 23 -13.826 -1.737 -15.468 1.00 0.00 H new ATOM 0 HA VAL A 23 -16.291 -0.456 -16.175 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.600 -3.413 -15.922 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -17.477 -3.747 -17.477 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -18.006 -2.996 -15.952 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -17.830 -2.003 -17.419 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -15.205 -3.331 -18.351 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.461 -1.570 -18.328 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.078 -2.280 -17.462 1.00 0.00 H new ATOM 385 N ASP A 24 -15.973 -1.974 -13.302 1.00 0.00 N ATOM 386 CA ASP A 24 -16.610 -2.219 -12.013 1.00 0.00 C ATOM 387 C ASP A 24 -16.694 -0.934 -11.195 1.00 0.00 C ATOM 388 O ASP A 24 -17.581 -0.777 -10.355 1.00 0.00 O ATOM 389 CB ASP A 24 -15.838 -3.285 -11.233 1.00 0.00 C ATOM 390 CG ASP A 24 -16.433 -3.544 -9.863 1.00 0.00 C ATOM 391 OD1 ASP A 24 -17.611 -3.952 -9.795 1.00 0.00 O ATOM 392 OD2 ASP A 24 -15.720 -3.340 -8.859 1.00 0.00 O ATOM 0 H ASP A 24 -14.975 -2.185 -13.326 1.00 0.00 H new ATOM 0 HA ASP A 24 -17.623 -2.577 -12.198 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.829 -4.214 -11.804 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.801 -2.970 -11.122 1.00 0.00 H new ATOM 397 N LYS A 25 -15.765 -0.018 -11.445 1.00 0.00 N ATOM 398 CA LYS A 25 -15.734 1.254 -10.733 1.00 0.00 C ATOM 399 C LYS A 25 -17.073 1.975 -10.846 1.00 0.00 C ATOM 400 O LYS A 25 -17.602 2.481 -9.855 1.00 0.00 O ATOM 401 CB LYS A 25 -14.617 2.143 -11.284 1.00 0.00 C ATOM 402 CG LYS A 25 -14.431 3.437 -10.511 1.00 0.00 C ATOM 403 CD LYS A 25 -13.431 3.272 -9.380 1.00 0.00 C ATOM 404 CE LYS A 25 -14.127 2.998 -8.055 1.00 0.00 C ATOM 405 NZ LYS A 25 -14.510 4.257 -7.359 1.00 0.00 N ATOM 0 H LYS A 25 -15.023 -0.133 -12.136 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.541 1.047 -9.680 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.681 1.585 -11.272 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.833 2.380 -12.326 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.090 4.220 -11.188 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.390 3.761 -10.106 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.751 2.452 -9.611 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.825 4.174 -9.294 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.018 2.395 -8.231 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.468 2.414 -7.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.981 4.028 -6.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.658 4.821 -7.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.159 4.803 -7.961 1.00 0.00 H new ATOM 419 N ILE A 26 -17.618 2.016 -12.057 1.00 0.00 N ATOM 420 CA ILE A 26 -18.897 2.672 -12.297 1.00 0.00 C ATOM 421 C ILE A 26 -20.045 1.880 -11.681 1.00 0.00 C ATOM 422 O ILE A 26 -21.104 2.431 -11.384 1.00 0.00 O ATOM 423 CB ILE A 26 -19.163 2.853 -13.803 1.00 0.00 C ATOM 424 CG1 ILE A 26 -19.168 1.495 -14.509 1.00 0.00 C ATOM 425 CG2 ILE A 26 -18.118 3.772 -14.419 1.00 0.00 C ATOM 426 CD1 ILE A 26 -19.503 1.581 -15.982 1.00 0.00 C ATOM 0 H ILE A 26 -17.194 1.603 -12.887 1.00 0.00 H new ATOM 0 HA ILE A 26 -18.842 3.653 -11.826 1.00 0.00 H new ATOM 0 HB ILE A 26 -20.143 3.312 -13.931 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -18.188 1.031 -14.394 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -19.890 0.842 -14.018 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -18.320 3.890 -15.484 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -18.158 4.746 -13.932 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -17.127 3.339 -14.283 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -19.488 0.582 -16.417 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -20.495 2.016 -16.105 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -18.767 2.208 -16.486 1.00 0.00 H new ATOM 438 N GLY A 27 -19.827 0.582 -11.490 1.00 0.00 N ATOM 439 CA GLY A 27 -20.852 -0.265 -10.909 1.00 0.00 C ATOM 440 C GLY A 27 -21.560 -1.113 -11.946 1.00 0.00 C ATOM 441 O GLY A 27 -22.712 -1.504 -11.758 1.00 0.00 O ATOM 0 H GLY A 27 -18.959 0.102 -11.727 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.400 -0.915 -10.160 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.583 0.357 -10.392 1.00 0.00 H new ATOM 445 N HIS A 28 -20.870 -1.398 -13.047 1.00 0.00 N ATOM 446 CA HIS A 28 -21.442 -2.205 -14.119 1.00 0.00 C ATOM 447 C HIS A 28 -20.794 -3.586 -14.164 1.00 0.00 C ATOM 448 O HIS A 28 -19.675 -3.789 -13.692 1.00 0.00 O ATOM 449 CB HIS A 28 -21.264 -1.501 -15.465 1.00 0.00 C ATOM 450 CG HIS A 28 -22.311 -0.468 -15.744 1.00 0.00 C ATOM 451 ND1 HIS A 28 -22.610 0.556 -14.869 1.00 0.00 N ATOM 452 CD2 HIS A 28 -23.131 -0.302 -16.808 1.00 0.00 C ATOM 453 CE1 HIS A 28 -23.569 1.305 -15.383 1.00 0.00 C ATOM 454 NE2 HIS A 28 -23.903 0.806 -16.559 1.00 0.00 N ATOM 0 H HIS A 28 -19.916 -1.082 -13.219 1.00 0.00 H new ATOM 0 HA HIS A 28 -22.506 -2.329 -13.920 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -20.282 -1.028 -15.491 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -21.280 -2.246 -16.260 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -23.171 -0.925 -17.689 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -24.006 2.177 -14.920 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -24.618 1.182 -17.181 1.00 0.00 H new ATOM 462 N PRO A 29 -21.513 -4.558 -14.745 1.00 0.00 N ATOM 463 CA PRO A 29 -21.028 -5.936 -14.865 1.00 0.00 C ATOM 464 C PRO A 29 -19.876 -6.061 -15.856 1.00 0.00 C ATOM 465 O PRO A 29 -19.622 -5.151 -16.645 1.00 0.00 O ATOM 466 CB PRO A 29 -22.254 -6.701 -15.370 1.00 0.00 C ATOM 467 CG PRO A 29 -23.077 -5.676 -16.071 1.00 0.00 C ATOM 468 CD PRO A 29 -22.854 -4.387 -15.329 1.00 0.00 C ATOM 0 HA PRO A 29 -20.633 -6.313 -13.922 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -21.967 -7.508 -16.045 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -22.804 -7.155 -14.546 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -22.777 -5.582 -17.115 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -24.131 -5.952 -16.066 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -22.895 -3.527 -15.997 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -23.610 -4.230 -14.560 1.00 0.00 H new ATOM 476 N SER A 30 -19.182 -7.194 -15.810 1.00 0.00 N ATOM 477 CA SER A 30 -18.055 -7.437 -16.703 1.00 0.00 C ATOM 478 C SER A 30 -18.503 -8.190 -17.952 1.00 0.00 C ATOM 479 O SER A 30 -17.802 -8.207 -18.965 1.00 0.00 O ATOM 480 CB SER A 30 -16.965 -8.230 -15.978 1.00 0.00 C ATOM 481 OG SER A 30 -17.530 -9.206 -15.121 1.00 0.00 O ATOM 0 H SER A 30 -19.380 -7.958 -15.164 1.00 0.00 H new ATOM 0 HA SER A 30 -17.650 -6.472 -17.008 1.00 0.00 H new ATOM 0 HB2 SER A 30 -16.316 -8.714 -16.708 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.341 -7.550 -15.398 1.00 0.00 H new ATOM 0 HG SER A 30 -16.813 -9.700 -14.671 1.00 0.00 H new ATOM 487 N HIS A 31 -19.675 -8.812 -17.872 1.00 0.00 N ATOM 488 CA HIS A 31 -20.218 -9.567 -18.995 1.00 0.00 C ATOM 489 C HIS A 31 -21.522 -8.947 -19.487 1.00 0.00 C ATOM 490 O HIS A 31 -22.442 -8.707 -18.704 1.00 0.00 O ATOM 491 CB HIS A 31 -20.452 -11.023 -18.593 1.00 0.00 C ATOM 492 CG HIS A 31 -20.661 -11.940 -19.759 1.00 0.00 C ATOM 493 ND1 HIS A 31 -19.679 -12.215 -20.686 1.00 0.00 N ATOM 494 CD2 HIS A 31 -21.749 -12.649 -20.143 1.00 0.00 C ATOM 495 CE1 HIS A 31 -20.153 -13.051 -21.592 1.00 0.00 C ATOM 496 NE2 HIS A 31 -21.407 -13.330 -21.285 1.00 0.00 N ATOM 0 H HIS A 31 -20.267 -8.808 -17.041 1.00 0.00 H new ATOM 0 HA HIS A 31 -19.492 -9.535 -19.807 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -19.597 -11.373 -18.014 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -21.323 -11.075 -17.939 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -22.707 -12.674 -19.644 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -19.608 -13.440 -22.439 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -22.022 -13.951 -21.811 1.00 0.00 H new ATOM 504 N LYS A 32 -21.596 -8.688 -20.788 1.00 0.00 N ATOM 505 CA LYS A 32 -22.787 -8.096 -21.385 1.00 0.00 C ATOM 506 C LYS A 32 -23.000 -8.615 -22.804 1.00 0.00 C ATOM 507 O LYS A 32 -22.104 -8.534 -23.644 1.00 0.00 O ATOM 508 CB LYS A 32 -22.670 -6.571 -21.401 1.00 0.00 C ATOM 509 CG LYS A 32 -23.951 -5.867 -21.814 1.00 0.00 C ATOM 510 CD LYS A 32 -23.821 -4.357 -21.696 1.00 0.00 C ATOM 511 CE LYS A 32 -25.106 -3.654 -22.103 1.00 0.00 C ATOM 512 NZ LYS A 32 -26.095 -3.616 -20.990 1.00 0.00 N ATOM 0 H LYS A 32 -20.844 -8.879 -21.450 1.00 0.00 H new ATOM 0 HA LYS A 32 -23.647 -8.382 -20.779 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -22.380 -6.227 -20.408 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -21.871 -6.283 -22.084 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -24.198 -6.133 -22.842 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -24.775 -6.212 -21.189 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -23.569 -4.092 -20.669 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -23.001 -4.011 -22.325 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -24.878 -2.637 -22.421 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -25.544 -4.165 -22.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -26.957 -3.129 -21.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -26.332 -4.587 -20.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -25.687 -3.106 -20.181 1.00 0.00 H new ATOM 526 N GLN A 33 -24.190 -9.146 -23.062 1.00 0.00 N ATOM 527 CA GLN A 33 -24.519 -9.677 -24.380 1.00 0.00 C ATOM 528 C GLN A 33 -25.229 -8.627 -25.228 1.00 0.00 C ATOM 529 O GLN A 33 -26.402 -8.323 -25.007 1.00 0.00 O ATOM 530 CB GLN A 33 -25.399 -10.922 -24.246 1.00 0.00 C ATOM 531 CG GLN A 33 -24.676 -12.116 -23.643 1.00 0.00 C ATOM 532 CD GLN A 33 -25.626 -13.220 -23.220 1.00 0.00 C ATOM 533 OE1 GLN A 33 -25.810 -14.204 -23.937 1.00 0.00 O ATOM 534 NE2 GLN A 33 -26.234 -13.062 -22.051 1.00 0.00 N ATOM 0 H GLN A 33 -24.942 -9.220 -22.377 1.00 0.00 H new ATOM 0 HA GLN A 33 -23.588 -9.950 -24.877 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -26.263 -10.681 -23.627 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -25.778 -11.197 -25.230 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -23.966 -12.511 -24.370 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -24.098 -11.788 -22.779 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -26.051 -12.230 -21.490 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -26.884 -13.772 -21.714 1.00 0.00 H new ATOM 543 N THR A 34 -24.511 -8.075 -26.201 1.00 0.00 N ATOM 544 CA THR A 34 -25.071 -7.058 -27.082 1.00 0.00 C ATOM 545 C THR A 34 -24.276 -6.955 -28.378 1.00 0.00 C ATOM 546 O THR A 34 -23.119 -7.370 -28.461 1.00 0.00 O ATOM 547 CB THR A 34 -25.098 -5.677 -26.399 1.00 0.00 C ATOM 548 OG1 THR A 34 -24.004 -5.561 -25.484 1.00 0.00 O ATOM 549 CG2 THR A 34 -26.410 -5.466 -25.659 1.00 0.00 C ATOM 0 H THR A 34 -23.540 -8.316 -26.399 1.00 0.00 H new ATOM 0 HA THR A 34 -26.092 -7.364 -27.309 1.00 0.00 H new ATOM 0 HB THR A 34 -25.007 -4.913 -27.171 1.00 0.00 H new ATOM 0 HG1 THR A 34 -24.028 -4.680 -25.056 1.00 0.00 H new ATOM 0 HG21 THR A 34 -26.406 -4.485 -25.185 1.00 0.00 H new ATOM 0 HG22 THR A 34 -27.239 -5.525 -26.364 1.00 0.00 H new ATOM 0 HG23 THR A 34 -26.526 -6.237 -24.897 1.00 0.00 H new ATOM 557 N PRO A 35 -24.907 -6.389 -29.417 1.00 0.00 N ATOM 558 CA PRO A 35 -24.276 -6.217 -30.729 1.00 0.00 C ATOM 559 C PRO A 35 -23.167 -5.171 -30.707 1.00 0.00 C ATOM 560 O PRO A 35 -22.160 -5.305 -31.401 1.00 0.00 O ATOM 561 CB PRO A 35 -25.431 -5.753 -31.620 1.00 0.00 C ATOM 562 CG PRO A 35 -26.398 -5.113 -30.685 1.00 0.00 C ATOM 563 CD PRO A 35 -26.285 -5.871 -29.391 1.00 0.00 C ATOM 0 HA PRO A 35 -23.795 -7.133 -31.073 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -25.088 -5.049 -32.378 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -25.886 -6.592 -32.147 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -26.163 -4.058 -30.542 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -27.413 -5.162 -31.079 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -26.455 -5.224 -28.530 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -27.016 -6.677 -29.333 1.00 0.00 H new ATOM 571 N ALA A 36 -23.358 -4.129 -29.904 1.00 0.00 N ATOM 572 CA ALA A 36 -22.373 -3.062 -29.789 1.00 0.00 C ATOM 573 C ALA A 36 -21.016 -3.611 -29.360 1.00 0.00 C ATOM 574 O ALA A 36 -19.976 -3.024 -29.658 1.00 0.00 O ATOM 575 CB ALA A 36 -22.852 -2.004 -28.806 1.00 0.00 C ATOM 0 H ALA A 36 -24.187 -4.002 -29.323 1.00 0.00 H new ATOM 0 HA ALA A 36 -22.256 -2.603 -30.770 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.106 -1.213 -28.730 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.794 -1.582 -29.156 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.000 -2.458 -27.826 1.00 0.00 H new ATOM 581 N ASP A 37 -21.035 -4.738 -28.657 1.00 0.00 N ATOM 582 CA ASP A 37 -19.806 -5.366 -28.186 1.00 0.00 C ATOM 583 C ASP A 37 -18.914 -5.762 -29.359 1.00 0.00 C ATOM 584 O ASP A 37 -17.692 -5.625 -29.297 1.00 0.00 O ATOM 585 CB ASP A 37 -20.130 -6.597 -27.338 1.00 0.00 C ATOM 586 CG ASP A 37 -18.966 -7.020 -26.464 1.00 0.00 C ATOM 587 OD1 ASP A 37 -18.042 -6.202 -26.269 1.00 0.00 O ATOM 588 OD2 ASP A 37 -18.979 -8.168 -25.974 1.00 0.00 O ATOM 0 H ASP A 37 -21.888 -5.235 -28.401 1.00 0.00 H new ATOM 0 HA ASP A 37 -19.269 -4.642 -27.572 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -20.994 -6.384 -26.709 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -20.408 -7.423 -27.993 1.00 0.00 H new ATOM 593 N HIS A 38 -19.534 -6.254 -30.427 1.00 0.00 N ATOM 594 CA HIS A 38 -18.796 -6.670 -31.615 1.00 0.00 C ATOM 595 C HIS A 38 -17.931 -5.530 -32.144 1.00 0.00 C ATOM 596 O HIS A 38 -16.767 -5.729 -32.488 1.00 0.00 O ATOM 597 CB HIS A 38 -19.762 -7.140 -32.703 1.00 0.00 C ATOM 598 CG HIS A 38 -20.150 -8.581 -32.576 1.00 0.00 C ATOM 599 ND1 HIS A 38 -20.809 -9.089 -31.476 1.00 0.00 N ATOM 600 CD2 HIS A 38 -19.971 -9.624 -33.419 1.00 0.00 C ATOM 601 CE1 HIS A 38 -21.017 -10.382 -31.648 1.00 0.00 C ATOM 602 NE2 HIS A 38 -20.518 -10.732 -32.820 1.00 0.00 N ATOM 0 H HIS A 38 -20.545 -6.374 -30.494 1.00 0.00 H new ATOM 0 HA HIS A 38 -18.144 -7.498 -31.336 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -20.662 -6.525 -32.669 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -19.303 -6.980 -33.679 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -19.488 -9.591 -34.384 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -21.511 -11.041 -30.949 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -20.536 -11.672 -33.216 1.00 0.00 H new ATOM 610 N ALA A 39 -18.510 -4.335 -32.208 1.00 0.00 N ATOM 611 CA ALA A 39 -17.792 -3.163 -32.694 1.00 0.00 C ATOM 612 C ALA A 39 -16.768 -2.683 -31.671 1.00 0.00 C ATOM 613 O ALA A 39 -15.775 -2.048 -32.024 1.00 0.00 O ATOM 614 CB ALA A 39 -18.769 -2.046 -33.028 1.00 0.00 C ATOM 0 H ALA A 39 -19.474 -4.153 -31.929 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.257 -3.446 -33.600 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.219 -1.177 -33.390 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -19.459 -2.385 -33.800 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -19.330 -1.774 -32.134 1.00 0.00 H new ATOM 620 N ALA A 40 -17.016 -2.991 -30.402 1.00 0.00 N ATOM 621 CA ALA A 40 -16.115 -2.592 -29.328 1.00 0.00 C ATOM 622 C ALA A 40 -14.687 -3.043 -29.615 1.00 0.00 C ATOM 623 O ALA A 40 -13.726 -2.401 -29.188 1.00 0.00 O ATOM 624 CB ALA A 40 -16.593 -3.159 -28.000 1.00 0.00 C ATOM 0 H ALA A 40 -17.834 -3.516 -30.093 1.00 0.00 H new ATOM 0 HA ALA A 40 -16.120 -1.504 -29.268 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.911 -2.853 -27.207 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.593 -2.784 -27.783 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -16.618 -4.247 -28.057 1.00 0.00 H new ATOM 630 N ILE A 41 -14.554 -4.150 -30.338 1.00 0.00 N ATOM 631 CA ILE A 41 -13.243 -4.685 -30.681 1.00 0.00 C ATOM 632 C ILE A 41 -12.369 -3.622 -31.337 1.00 0.00 C ATOM 633 O ILE A 41 -11.144 -3.659 -31.230 1.00 0.00 O ATOM 634 CB ILE A 41 -13.359 -5.894 -31.628 1.00 0.00 C ATOM 635 CG1 ILE A 41 -14.207 -6.994 -30.985 1.00 0.00 C ATOM 636 CG2 ILE A 41 -11.977 -6.424 -31.982 1.00 0.00 C ATOM 637 CD1 ILE A 41 -14.637 -8.071 -31.957 1.00 0.00 C ATOM 0 H ILE A 41 -15.339 -4.694 -30.697 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.780 -5.007 -29.748 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.850 -5.571 -32.546 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -13.640 -7.452 -30.175 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -15.094 -6.544 -30.538 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.076 -7.278 -32.652 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.402 -5.640 -32.475 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -11.462 -6.734 -31.073 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -15.234 -8.817 -31.433 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.232 -7.625 -32.754 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.755 -8.548 -32.385 1.00 0.00 H new ATOM 649 N GLU A 42 -13.009 -2.674 -32.015 1.00 0.00 N ATOM 650 CA GLU A 42 -12.289 -1.599 -32.688 1.00 0.00 C ATOM 651 C GLU A 42 -11.392 -0.848 -31.708 1.00 0.00 C ATOM 652 O GLU A 42 -10.370 -0.282 -32.093 1.00 0.00 O ATOM 653 CB GLU A 42 -13.273 -0.628 -33.343 1.00 0.00 C ATOM 654 CG GLU A 42 -13.989 0.274 -32.352 1.00 0.00 C ATOM 655 CD GLU A 42 -15.184 0.980 -32.963 1.00 0.00 C ATOM 656 OE1 GLU A 42 -15.969 0.314 -33.670 1.00 0.00 O ATOM 657 OE2 GLU A 42 -15.334 2.198 -32.733 1.00 0.00 O ATOM 0 H GLU A 42 -14.023 -2.629 -32.113 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.661 -2.044 -33.460 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.736 -0.009 -34.062 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.014 -1.198 -33.904 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.319 -0.319 -31.499 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.288 1.017 -31.971 1.00 0.00 H new ATOM 664 N ALA A 43 -11.785 -0.846 -30.438 1.00 0.00 N ATOM 665 CA ALA A 43 -11.018 -0.166 -29.402 1.00 0.00 C ATOM 666 C ALA A 43 -9.877 -1.044 -28.898 1.00 0.00 C ATOM 667 O ALA A 43 -8.794 -0.551 -28.581 1.00 0.00 O ATOM 668 CB ALA A 43 -11.926 0.234 -28.249 1.00 0.00 C ATOM 0 H ALA A 43 -12.630 -1.308 -30.102 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.585 0.734 -29.838 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.339 0.741 -27.483 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.703 0.905 -28.614 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.387 -0.657 -27.823 1.00 0.00 H new ATOM 674 N LEU A 44 -10.127 -2.347 -28.826 1.00 0.00 N ATOM 675 CA LEU A 44 -9.120 -3.294 -28.360 1.00 0.00 C ATOM 676 C LEU A 44 -7.963 -3.391 -29.349 1.00 0.00 C ATOM 677 O LEU A 44 -6.831 -3.689 -28.969 1.00 0.00 O ATOM 678 CB LEU A 44 -9.747 -4.675 -28.155 1.00 0.00 C ATOM 679 CG LEU A 44 -10.964 -4.729 -27.231 1.00 0.00 C ATOM 680 CD1 LEU A 44 -11.768 -5.995 -27.480 1.00 0.00 C ATOM 681 CD2 LEU A 44 -10.532 -4.647 -25.774 1.00 0.00 C ATOM 0 H LEU A 44 -11.018 -2.772 -29.084 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.730 -2.933 -27.408 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.038 -5.068 -29.129 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.983 -5.343 -27.757 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.600 -3.871 -27.449 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.630 -6.016 -26.813 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.109 -6.012 -28.515 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.142 -6.867 -27.291 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.411 -4.687 -25.131 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.874 -5.485 -25.542 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.001 -3.711 -25.604 1.00 0.00 H new ATOM 693 N ASP A 45 -8.255 -3.134 -30.620 1.00 0.00 N ATOM 694 CA ASP A 45 -7.239 -3.188 -31.664 1.00 0.00 C ATOM 695 C ASP A 45 -6.056 -2.290 -31.317 1.00 0.00 C ATOM 696 O ASP A 45 -4.927 -2.544 -31.738 1.00 0.00 O ATOM 697 CB ASP A 45 -7.836 -2.771 -33.009 1.00 0.00 C ATOM 698 CG ASP A 45 -6.849 -2.915 -34.150 1.00 0.00 C ATOM 699 OD1 ASP A 45 -6.106 -3.919 -34.169 1.00 0.00 O ATOM 700 OD2 ASP A 45 -6.820 -2.025 -35.025 1.00 0.00 O ATOM 0 H ASP A 45 -9.187 -2.886 -30.951 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.883 -4.215 -31.738 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.717 -3.378 -33.216 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.170 -1.735 -32.950 1.00 0.00 H new ATOM 705 N ARG A 46 -6.322 -1.239 -30.550 1.00 0.00 N ATOM 706 CA ARG A 46 -5.280 -0.301 -30.149 1.00 0.00 C ATOM 707 C ARG A 46 -4.309 -0.954 -29.169 1.00 0.00 C ATOM 708 O ARG A 46 -3.117 -1.081 -29.452 1.00 0.00 O ATOM 709 CB ARG A 46 -5.901 0.944 -29.514 1.00 0.00 C ATOM 710 CG ARG A 46 -4.995 2.164 -29.553 1.00 0.00 C ATOM 711 CD ARG A 46 -5.495 3.259 -28.623 1.00 0.00 C ATOM 712 NE ARG A 46 -4.897 4.555 -28.933 1.00 0.00 N ATOM 713 CZ ARG A 46 -5.016 5.624 -28.154 1.00 0.00 C ATOM 714 NH1 ARG A 46 -5.708 5.552 -27.025 1.00 0.00 N ATOM 715 NH2 ARG A 46 -4.443 6.769 -28.504 1.00 0.00 N ATOM 0 H ARG A 46 -7.251 -1.015 -30.193 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.727 -0.008 -31.042 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.833 1.178 -30.029 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.156 0.724 -28.477 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.983 1.876 -29.267 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.942 2.547 -30.572 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.580 3.333 -28.700 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.266 2.991 -27.592 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.359 4.644 -29.795 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.150 4.674 -26.753 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.798 6.375 -26.429 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.911 6.828 -29.372 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.535 7.589 -27.905 1.00 0.00 H new ATOM 729 N LEU A 47 -4.827 -1.367 -28.017 1.00 0.00 N ATOM 730 CA LEU A 47 -4.006 -2.006 -26.995 1.00 0.00 C ATOM 731 C LEU A 47 -3.413 -3.313 -27.512 1.00 0.00 C ATOM 732 O LEU A 47 -2.292 -3.681 -27.159 1.00 0.00 O ATOM 733 CB LEU A 47 -4.837 -2.272 -25.739 1.00 0.00 C ATOM 734 CG LEU A 47 -5.752 -3.496 -25.786 1.00 0.00 C ATOM 735 CD1 LEU A 47 -5.022 -4.729 -25.275 1.00 0.00 C ATOM 736 CD2 LEU A 47 -7.016 -3.248 -24.975 1.00 0.00 C ATOM 0 H LEU A 47 -5.811 -1.271 -27.768 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.188 -1.330 -26.746 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.157 -2.384 -24.895 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.450 -1.393 -25.540 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.038 -3.672 -26.823 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.689 -5.590 -25.316 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.147 -4.918 -25.897 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.706 -4.564 -24.245 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.656 -4.129 -25.020 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.749 -3.045 -23.938 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.550 -2.391 -25.386 1.00 0.00 H new ATOM 748 N LEU A 48 -4.171 -4.009 -28.352 1.00 0.00 N ATOM 749 CA LEU A 48 -3.719 -5.275 -28.921 1.00 0.00 C ATOM 750 C LEU A 48 -2.516 -5.063 -29.834 1.00 0.00 C ATOM 751 O LEU A 48 -1.462 -5.672 -29.642 1.00 0.00 O ATOM 752 CB LEU A 48 -4.855 -5.940 -29.700 1.00 0.00 C ATOM 753 CG LEU A 48 -6.021 -6.471 -28.866 1.00 0.00 C ATOM 754 CD1 LEU A 48 -7.251 -6.675 -29.737 1.00 0.00 C ATOM 755 CD2 LEU A 48 -5.633 -7.770 -28.174 1.00 0.00 C ATOM 0 H LEU A 48 -5.101 -3.719 -28.654 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.418 -5.927 -28.101 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.247 -5.219 -30.418 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.439 -6.768 -30.274 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.262 -5.733 -28.101 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.071 -7.053 -29.126 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.541 -5.725 -30.185 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.024 -7.393 -30.525 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.475 -8.134 -27.585 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.365 -8.515 -28.923 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.781 -7.592 -27.518 1.00 0.00 H new ATOM 767 N LEU A 49 -2.678 -4.195 -30.826 1.00 0.00 N ATOM 768 CA LEU A 49 -1.604 -3.901 -31.769 1.00 0.00 C ATOM 769 C LEU A 49 -0.371 -3.373 -31.042 1.00 0.00 C ATOM 770 O LEU A 49 0.754 -3.778 -31.334 1.00 0.00 O ATOM 771 CB LEU A 49 -2.075 -2.879 -32.806 1.00 0.00 C ATOM 772 CG LEU A 49 -1.006 -2.358 -33.767 1.00 0.00 C ATOM 773 CD1 LEU A 49 -0.689 -3.401 -34.828 1.00 0.00 C ATOM 774 CD2 LEU A 49 -1.460 -1.057 -34.414 1.00 0.00 C ATOM 0 H LEU A 49 -3.543 -3.682 -30.999 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.335 -4.827 -32.277 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.875 -3.329 -33.394 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.507 -2.028 -32.279 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.097 -2.160 -33.198 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.074 -3.013 -35.503 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.321 -4.308 -34.348 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.592 -3.630 -35.394 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.687 -0.700 -35.095 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.382 -1.229 -34.970 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.636 -0.309 -33.641 1.00 0.00 H new ATOM 786 N ASP A 50 -0.592 -2.470 -30.093 1.00 0.00 N ATOM 787 CA ASP A 50 0.501 -1.890 -29.321 1.00 0.00 C ATOM 788 C ASP A 50 1.296 -2.976 -28.602 1.00 0.00 C ATOM 789 O ASP A 50 2.507 -3.098 -28.786 1.00 0.00 O ATOM 790 CB ASP A 50 -0.041 -0.882 -28.307 1.00 0.00 C ATOM 791 CG ASP A 50 -0.182 0.510 -28.893 1.00 0.00 C ATOM 792 OD1 ASP A 50 -0.610 0.621 -30.060 1.00 0.00 O ATOM 793 OD2 ASP A 50 0.136 1.487 -28.183 1.00 0.00 O ATOM 0 H ASP A 50 -1.517 -2.124 -29.840 1.00 0.00 H new ATOM 0 HA ASP A 50 1.168 -1.375 -30.013 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.012 -1.221 -27.945 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.625 -0.844 -27.445 1.00 0.00 H new ATOM 798 N VAL A 51 0.606 -3.762 -27.782 1.00 0.00 N ATOM 799 CA VAL A 51 1.246 -4.837 -27.035 1.00 0.00 C ATOM 800 C VAL A 51 1.896 -5.848 -27.974 1.00 0.00 C ATOM 801 O VAL A 51 2.903 -6.468 -27.634 1.00 0.00 O ATOM 802 CB VAL A 51 0.238 -5.569 -26.129 1.00 0.00 C ATOM 803 CG1 VAL A 51 0.918 -6.710 -25.386 1.00 0.00 C ATOM 804 CG2 VAL A 51 -0.405 -4.596 -25.153 1.00 0.00 C ATOM 0 H VAL A 51 -0.397 -3.674 -27.618 1.00 0.00 H new ATOM 0 HA VAL A 51 2.014 -4.376 -26.414 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.547 -5.992 -26.756 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.190 -7.215 -24.751 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.327 -7.420 -26.105 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.724 -6.313 -24.769 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.114 -5.130 -24.521 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.366 -4.142 -24.530 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.928 -3.817 -25.707 1.00 0.00 H new ATOM 814 N ARG A 52 1.312 -6.008 -29.157 1.00 0.00 N ATOM 815 CA ARG A 52 1.833 -6.944 -30.146 1.00 0.00 C ATOM 816 C ARG A 52 3.097 -6.395 -30.801 1.00 0.00 C ATOM 817 O ARG A 52 3.978 -7.153 -31.204 1.00 0.00 O ATOM 818 CB ARG A 52 0.776 -7.231 -31.214 1.00 0.00 C ATOM 819 CG ARG A 52 1.191 -8.303 -32.208 1.00 0.00 C ATOM 820 CD ARG A 52 -0.018 -9.002 -32.810 1.00 0.00 C ATOM 821 NE ARG A 52 -0.873 -8.078 -33.550 1.00 0.00 N ATOM 822 CZ ARG A 52 -2.046 -8.419 -34.071 1.00 0.00 C ATOM 823 NH1 ARG A 52 -2.502 -9.656 -33.933 1.00 0.00 N ATOM 824 NH2 ARG A 52 -2.766 -7.521 -34.731 1.00 0.00 N ATOM 0 H ARG A 52 0.478 -5.502 -29.454 1.00 0.00 H new ATOM 0 HA ARG A 52 2.084 -7.873 -29.634 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.148 -7.539 -30.725 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.559 -6.310 -31.755 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.786 -7.853 -33.003 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.826 -9.036 -31.710 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.317 -9.797 -33.476 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.596 -9.474 -32.016 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.552 -7.118 -33.674 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.952 -10.349 -33.426 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.403 -9.915 -34.334 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.419 -6.568 -34.839 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.667 -7.784 -35.131 1.00 0.00 H new ATOM 838 N ALA A 53 3.178 -5.072 -30.902 1.00 0.00 N ATOM 839 CA ALA A 53 4.334 -4.422 -31.506 1.00 0.00 C ATOM 840 C ALA A 53 5.346 -4.003 -30.444 1.00 0.00 C ATOM 841 O ALA A 53 6.132 -3.079 -30.653 1.00 0.00 O ATOM 842 CB ALA A 53 3.895 -3.217 -32.324 1.00 0.00 C ATOM 0 H ALA A 53 2.457 -4.430 -30.573 1.00 0.00 H new ATOM 0 HA ALA A 53 4.818 -5.140 -32.168 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.769 -2.741 -32.769 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.217 -3.541 -33.113 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.384 -2.504 -31.676 1.00 0.00 H new ATOM 848 N ARG A 54 5.318 -4.687 -29.305 1.00 0.00 N ATOM 849 CA ARG A 54 6.232 -4.384 -28.210 1.00 0.00 C ATOM 850 C ARG A 54 6.087 -2.931 -27.768 1.00 0.00 C ATOM 851 O ARG A 54 7.070 -2.193 -27.696 1.00 0.00 O ATOM 852 CB ARG A 54 7.676 -4.659 -28.632 1.00 0.00 C ATOM 853 CG ARG A 54 8.041 -6.134 -28.631 1.00 0.00 C ATOM 854 CD ARG A 54 9.548 -6.336 -28.605 1.00 0.00 C ATOM 855 NE ARG A 54 9.923 -7.707 -28.938 1.00 0.00 N ATOM 856 CZ ARG A 54 9.828 -8.723 -28.087 1.00 0.00 C ATOM 857 NH1 ARG A 54 9.372 -8.521 -26.859 1.00 0.00 N ATOM 858 NH2 ARG A 54 10.189 -9.943 -28.464 1.00 0.00 N ATOM 0 H ARG A 54 4.673 -5.454 -29.116 1.00 0.00 H new ATOM 0 HA ARG A 54 5.978 -5.029 -27.369 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.837 -4.254 -29.631 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.349 -4.126 -27.960 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.593 -6.620 -27.764 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.624 -6.614 -29.517 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.018 -5.650 -29.310 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.930 -6.086 -27.615 1.00 0.00 H new ATOM 0 HE ARG A 54 10.278 -7.895 -29.876 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.093 -7.585 -26.566 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.300 -9.302 -26.207 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.540 -10.102 -29.408 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.115 -10.722 -27.809 1.00 0.00 H new ATOM 872 N ARG A 55 4.856 -2.528 -27.473 1.00 0.00 N ATOM 873 CA ARG A 55 4.582 -1.163 -27.039 1.00 0.00 C ATOM 874 C ARG A 55 4.037 -1.144 -25.614 1.00 0.00 C ATOM 875 O ARG A 55 3.316 -0.225 -25.226 1.00 0.00 O ATOM 876 CB ARG A 55 3.585 -0.494 -27.987 1.00 0.00 C ATOM 877 CG ARG A 55 4.000 -0.553 -29.448 1.00 0.00 C ATOM 878 CD ARG A 55 3.150 0.370 -30.307 1.00 0.00 C ATOM 879 NE ARG A 55 3.133 -0.045 -31.707 1.00 0.00 N ATOM 880 CZ ARG A 55 2.245 0.392 -32.593 1.00 0.00 C ATOM 881 NH1 ARG A 55 1.307 1.254 -32.225 1.00 0.00 N ATOM 882 NH2 ARG A 55 2.295 -0.032 -33.849 1.00 0.00 N ATOM 0 H ARG A 55 4.032 -3.127 -27.526 1.00 0.00 H new ATOM 0 HA ARG A 55 5.520 -0.608 -27.058 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.612 -0.973 -27.875 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.462 0.549 -27.695 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.050 -0.274 -29.541 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.909 -1.576 -29.812 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.131 0.387 -29.922 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.534 1.387 -30.235 1.00 0.00 H new ATOM 0 HE ARG A 55 3.842 -0.707 -32.022 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.267 1.583 -31.260 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.626 1.588 -32.907 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.016 -0.694 -34.135 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.613 0.304 -34.528 1.00 0.00 H new ATOM 896 N VAL A 56 4.385 -2.166 -24.839 1.00 0.00 N ATOM 897 CA VAL A 56 3.931 -2.267 -23.457 1.00 0.00 C ATOM 898 C VAL A 56 4.898 -1.567 -22.509 1.00 0.00 C ATOM 899 O VAL A 56 6.111 -1.588 -22.716 1.00 0.00 O ATOM 900 CB VAL A 56 3.777 -3.737 -23.023 1.00 0.00 C ATOM 901 CG1 VAL A 56 3.335 -3.821 -21.570 1.00 0.00 C ATOM 902 CG2 VAL A 56 2.795 -4.460 -23.931 1.00 0.00 C ATOM 0 H VAL A 56 4.980 -2.936 -25.145 1.00 0.00 H new ATOM 0 HA VAL A 56 2.958 -1.777 -23.406 1.00 0.00 H new ATOM 0 HB VAL A 56 4.746 -4.228 -23.111 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.231 -4.867 -21.281 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.080 -3.341 -20.935 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.377 -3.315 -21.451 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.698 -5.497 -23.610 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.822 -3.971 -23.877 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.159 -4.431 -24.958 1.00 0.00 H new ATOM 912 N ASP A 57 4.352 -0.947 -21.468 1.00 0.00 N ATOM 913 CA ASP A 57 5.166 -0.241 -20.485 1.00 0.00 C ATOM 914 C ASP A 57 4.456 -0.177 -19.137 1.00 0.00 C ATOM 915 O ASP A 57 3.327 -0.647 -18.997 1.00 0.00 O ATOM 916 CB ASP A 57 5.485 1.172 -20.976 1.00 0.00 C ATOM 917 CG ASP A 57 6.818 1.677 -20.461 1.00 0.00 C ATOM 918 OD1 ASP A 57 7.486 0.932 -19.714 1.00 0.00 O ATOM 919 OD2 ASP A 57 7.193 2.817 -20.805 1.00 0.00 O ATOM 0 H ASP A 57 3.349 -0.919 -21.283 1.00 0.00 H new ATOM 0 HA ASP A 57 6.098 -0.792 -20.358 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.493 1.182 -22.066 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.695 1.851 -20.657 1.00 0.00 H new ATOM 924 N GLN A 58 5.126 0.407 -18.148 1.00 0.00 N ATOM 925 CA GLN A 58 4.559 0.530 -16.811 1.00 0.00 C ATOM 926 C GLN A 58 3.876 1.883 -16.632 1.00 0.00 C ATOM 927 O GLN A 58 4.277 2.877 -17.237 1.00 0.00 O ATOM 928 CB GLN A 58 5.649 0.352 -15.753 1.00 0.00 C ATOM 929 CG GLN A 58 6.736 1.414 -15.815 1.00 0.00 C ATOM 930 CD GLN A 58 6.418 2.625 -14.960 1.00 0.00 C ATOM 931 OE1 GLN A 58 5.672 2.532 -13.984 1.00 0.00 O ATOM 932 NE2 GLN A 58 6.983 3.770 -15.323 1.00 0.00 N ATOM 0 H GLN A 58 6.061 0.802 -18.248 1.00 0.00 H new ATOM 0 HA GLN A 58 3.811 -0.254 -16.687 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.191 0.370 -14.764 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.105 -0.631 -15.875 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.681 0.981 -15.487 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.872 1.730 -16.849 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.594 3.801 -16.139 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.806 4.619 -14.786 1.00 0.00 H new ATOM 941 N PHE A 59 2.843 1.912 -15.796 1.00 0.00 N ATOM 942 CA PHE A 59 2.104 3.143 -15.539 1.00 0.00 C ATOM 943 C PHE A 59 1.389 3.076 -14.192 1.00 0.00 C ATOM 944 O PHE A 59 1.127 1.992 -13.671 1.00 0.00 O ATOM 945 CB PHE A 59 1.089 3.396 -16.655 1.00 0.00 C ATOM 946 CG PHE A 59 0.605 4.817 -16.715 1.00 0.00 C ATOM 947 CD1 PHE A 59 1.460 5.838 -17.099 1.00 0.00 C ATOM 948 CD2 PHE A 59 -0.704 5.132 -16.387 1.00 0.00 C ATOM 949 CE1 PHE A 59 1.018 7.146 -17.153 1.00 0.00 C ATOM 950 CE2 PHE A 59 -1.152 6.438 -16.440 1.00 0.00 C ATOM 951 CZ PHE A 59 -0.290 7.447 -16.825 1.00 0.00 C ATOM 0 H PHE A 59 2.499 1.099 -15.286 1.00 0.00 H new ATOM 0 HA PHE A 59 2.817 3.967 -15.512 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.540 3.134 -17.612 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.234 2.735 -16.514 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.483 5.609 -17.359 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.382 4.347 -16.086 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.695 7.933 -17.452 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.174 6.670 -16.181 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.638 8.468 -16.869 1.00 0.00 H new ATOM 961 N GLN A 60 1.077 4.242 -13.636 1.00 0.00 N ATOM 962 CA GLN A 60 0.394 4.315 -12.349 1.00 0.00 C ATOM 963 C GLN A 60 -0.679 5.399 -12.364 1.00 0.00 C ATOM 964 O GLN A 60 -0.374 6.586 -12.487 1.00 0.00 O ATOM 965 CB GLN A 60 1.399 4.592 -11.230 1.00 0.00 C ATOM 966 CG GLN A 60 0.749 4.899 -9.890 1.00 0.00 C ATOM 967 CD GLN A 60 0.513 6.381 -9.682 1.00 0.00 C ATOM 968 OE1 GLN A 60 1.071 7.217 -10.394 1.00 0.00 O ATOM 969 NE2 GLN A 60 -0.318 6.717 -8.703 1.00 0.00 N ATOM 0 H GLN A 60 1.286 5.148 -14.055 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.087 3.354 -12.166 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.052 3.727 -11.118 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.030 5.432 -11.519 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.202 4.371 -9.822 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.382 4.520 -9.088 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.759 5.992 -8.137 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.516 7.700 -8.517 1.00 0.00 H new ATOM 978 N ILE A 61 -1.934 4.983 -12.239 1.00 0.00 N ATOM 979 CA ILE A 61 -3.052 5.918 -12.237 1.00 0.00 C ATOM 980 C ILE A 61 -3.317 6.456 -10.835 1.00 0.00 C ATOM 981 O ILE A 61 -3.330 7.666 -10.616 1.00 0.00 O ATOM 982 CB ILE A 61 -4.337 5.261 -12.774 1.00 0.00 C ATOM 983 CG1 ILE A 61 -4.114 4.739 -14.195 1.00 0.00 C ATOM 984 CG2 ILE A 61 -5.492 6.251 -12.743 1.00 0.00 C ATOM 985 CD1 ILE A 61 -5.145 3.723 -14.634 1.00 0.00 C ATOM 0 H ILE A 61 -2.203 4.004 -12.138 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.774 6.743 -12.893 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.590 4.417 -12.133 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.126 5.580 -14.888 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.123 4.289 -14.257 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.393 5.771 -13.126 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.663 6.579 -11.718 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.249 7.113 -13.364 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.925 3.397 -15.650 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.118 2.864 -13.963 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.136 4.175 -14.605 1.00 0.00 H new ATOM 997 N ASN A 62 -3.526 5.546 -9.888 1.00 0.00 N ATOM 998 CA ASN A 62 -3.789 5.929 -8.506 1.00 0.00 C ATOM 999 C ASN A 62 -2.925 5.120 -7.544 1.00 0.00 C ATOM 1000 O ASN A 62 -2.603 3.962 -7.806 1.00 0.00 O ATOM 1001 CB ASN A 62 -5.269 5.728 -8.172 1.00 0.00 C ATOM 1002 CG ASN A 62 -6.161 6.740 -8.866 1.00 0.00 C ATOM 1003 OD1 ASN A 62 -5.885 7.940 -8.850 1.00 0.00 O ATOM 1004 ND2 ASN A 62 -7.236 6.259 -9.478 1.00 0.00 N ATOM 0 H ASN A 62 -3.518 4.539 -10.053 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.538 6.984 -8.393 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.571 4.722 -8.463 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.409 5.804 -7.094 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -7.874 6.892 -9.961 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -7.425 5.257 -9.465 1.00 0.00 H new ATOM 1011 N ALA A 63 -2.554 5.739 -6.428 1.00 0.00 N ATOM 1012 CA ALA A 63 -1.729 5.076 -5.425 1.00 0.00 C ATOM 1013 C ALA A 63 -2.592 4.369 -4.385 1.00 0.00 C ATOM 1014 O ALA A 63 -2.155 3.408 -3.751 1.00 0.00 O ATOM 1015 CB ALA A 63 -0.806 6.081 -4.752 1.00 0.00 C ATOM 0 H ALA A 63 -2.811 6.698 -6.196 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.123 4.323 -5.929 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.196 5.572 -4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.158 6.538 -5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.402 6.855 -4.267 1.00 0.00 H new ATOM 1021 N SER A 64 -3.819 4.851 -4.214 1.00 0.00 N ATOM 1022 CA SER A 64 -4.742 4.268 -3.247 1.00 0.00 C ATOM 1023 C SER A 64 -5.286 2.935 -3.752 1.00 0.00 C ATOM 1024 O SER A 64 -5.619 2.050 -2.964 1.00 0.00 O ATOM 1025 CB SER A 64 -5.897 5.231 -2.968 1.00 0.00 C ATOM 1026 OG SER A 64 -6.963 5.026 -3.879 1.00 0.00 O ATOM 0 H SER A 64 -4.197 5.644 -4.733 1.00 0.00 H new ATOM 0 HA SER A 64 -4.196 4.090 -2.321 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.254 5.090 -1.948 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.543 6.259 -3.043 1.00 0.00 H new ATOM 0 HG SER A 64 -7.690 5.652 -3.679 1.00 0.00 H new ATOM 1032 N ALA A 65 -5.374 2.800 -5.071 1.00 0.00 N ATOM 1033 CA ALA A 65 -5.876 1.576 -5.682 1.00 0.00 C ATOM 1034 C ALA A 65 -4.730 0.656 -6.089 1.00 0.00 C ATOM 1035 O ALA A 65 -3.561 1.026 -5.993 1.00 0.00 O ATOM 1036 CB ALA A 65 -6.745 1.905 -6.887 1.00 0.00 C ATOM 0 H ALA A 65 -5.104 3.524 -5.737 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.483 1.053 -4.943 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.113 0.981 -7.333 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.590 2.517 -6.570 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.156 2.453 -7.622 1.00 0.00 H new ATOM 1042 N ALA A 66 -5.074 -0.544 -6.545 1.00 0.00 N ATOM 1043 CA ALA A 66 -4.074 -1.516 -6.968 1.00 0.00 C ATOM 1044 C ALA A 66 -3.109 -0.906 -7.978 1.00 0.00 C ATOM 1045 O ALA A 66 -3.512 -0.497 -9.067 1.00 0.00 O ATOM 1046 CB ALA A 66 -4.749 -2.746 -7.557 1.00 0.00 C ATOM 0 H ALA A 66 -6.038 -0.866 -6.631 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.500 -1.815 -6.091 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.990 -3.463 -7.869 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.393 -3.203 -6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.348 -2.454 -8.419 1.00 0.00 H new ATOM 1052 N GLN A 67 -1.833 -0.848 -7.610 1.00 0.00 N ATOM 1053 CA GLN A 67 -0.811 -0.286 -8.485 1.00 0.00 C ATOM 1054 C GLN A 67 -0.169 -1.373 -9.341 1.00 0.00 C ATOM 1055 O GLN A 67 -0.062 -2.525 -8.920 1.00 0.00 O ATOM 1056 CB GLN A 67 0.260 0.429 -7.660 1.00 0.00 C ATOM 1057 CG GLN A 67 -0.046 1.896 -7.406 1.00 0.00 C ATOM 1058 CD GLN A 67 1.079 2.611 -6.684 1.00 0.00 C ATOM 1059 OE1 GLN A 67 0.946 2.983 -5.517 1.00 0.00 O ATOM 1060 NE2 GLN A 67 2.197 2.807 -7.374 1.00 0.00 N ATOM 0 H GLN A 67 -1.483 -1.183 -6.713 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.292 0.435 -9.146 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.371 -0.081 -6.703 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.217 0.350 -8.176 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.236 2.393 -8.357 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.959 1.976 -6.816 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.264 2.482 -8.339 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.988 3.282 -6.939 1.00 0.00 H new ATOM 1069 N ILE A 68 0.257 -0.999 -10.543 1.00 0.00 N ATOM 1070 CA ILE A 68 0.889 -1.942 -11.457 1.00 0.00 C ATOM 1071 C ILE A 68 2.103 -1.319 -12.137 1.00 0.00 C ATOM 1072 O ILE A 68 2.064 -0.163 -12.561 1.00 0.00 O ATOM 1073 CB ILE A 68 -0.097 -2.428 -12.535 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -1.363 -2.989 -11.884 1.00 0.00 C ATOM 1075 CG2 ILE A 68 0.560 -3.477 -13.420 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -2.429 -1.945 -11.635 1.00 0.00 C ATOM 0 H ILE A 68 0.176 -0.049 -10.906 1.00 0.00 H new ATOM 0 HA ILE A 68 1.209 -2.795 -10.859 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.378 -1.579 -13.159 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.774 -3.771 -12.523 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.097 -3.458 -10.937 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.150 -3.811 -14.177 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.434 -3.046 -13.907 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.867 -4.327 -12.810 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.297 -2.414 -11.172 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.036 -1.175 -10.971 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.723 -1.492 -12.582 1.00 0.00 H new ATOM 1088 N ILE A 69 3.179 -2.092 -12.240 1.00 0.00 N ATOM 1089 CA ILE A 69 4.403 -1.616 -12.873 1.00 0.00 C ATOM 1090 C ILE A 69 5.079 -2.728 -13.667 1.00 0.00 C ATOM 1091 O ILE A 69 5.741 -3.597 -13.099 1.00 0.00 O ATOM 1092 CB ILE A 69 5.397 -1.066 -11.832 1.00 0.00 C ATOM 1093 CG1 ILE A 69 4.763 0.084 -11.048 1.00 0.00 C ATOM 1094 CG2 ILE A 69 6.677 -0.607 -12.514 1.00 0.00 C ATOM 1095 CD1 ILE A 69 3.964 -0.371 -9.847 1.00 0.00 C ATOM 0 H ILE A 69 3.228 -3.050 -11.893 1.00 0.00 H new ATOM 0 HA ILE A 69 4.117 -0.812 -13.551 1.00 0.00 H new ATOM 0 HB ILE A 69 5.647 -1.864 -11.132 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.548 0.763 -10.716 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.112 0.651 -11.713 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.370 -0.221 -11.766 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.135 -1.449 -13.032 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.445 0.179 -13.233 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.544 0.497 -9.339 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.156 -1.026 -10.174 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.615 -0.913 -9.161 1.00 0.00 H new ATOM 1107 N VAL A 70 4.910 -2.694 -14.985 1.00 0.00 N ATOM 1108 CA VAL A 70 5.506 -3.697 -15.859 1.00 0.00 C ATOM 1109 C VAL A 70 7.020 -3.743 -15.689 1.00 0.00 C ATOM 1110 O VAL A 70 7.709 -2.739 -15.876 1.00 0.00 O ATOM 1111 CB VAL A 70 5.174 -3.421 -17.338 1.00 0.00 C ATOM 1112 CG1 VAL A 70 5.829 -4.461 -18.234 1.00 0.00 C ATOM 1113 CG2 VAL A 70 3.668 -3.395 -17.549 1.00 0.00 C ATOM 0 H VAL A 70 4.365 -1.982 -15.471 1.00 0.00 H new ATOM 0 HA VAL A 70 5.082 -4.659 -15.573 1.00 0.00 H new ATOM 0 HB VAL A 70 5.572 -2.442 -17.607 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.584 -4.251 -19.275 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.910 -4.426 -18.102 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.463 -5.453 -17.968 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.451 -3.199 -18.599 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.244 -4.358 -17.265 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.228 -2.609 -16.935 1.00 0.00 H new ATOM 1123 N THR A 71 7.535 -4.916 -15.334 1.00 0.00 N ATOM 1124 CA THR A 71 8.968 -5.094 -15.138 1.00 0.00 C ATOM 1125 C THR A 71 9.685 -5.291 -16.469 1.00 0.00 C ATOM 1126 O THR A 71 10.003 -6.416 -16.853 1.00 0.00 O ATOM 1127 CB THR A 71 9.265 -6.299 -14.225 1.00 0.00 C ATOM 1128 OG1 THR A 71 8.264 -7.307 -14.404 1.00 0.00 O ATOM 1129 CG2 THR A 71 9.309 -5.874 -12.765 1.00 0.00 C ATOM 0 H THR A 71 6.980 -5.757 -15.176 1.00 0.00 H new ATOM 0 HA THR A 71 9.337 -4.186 -14.661 1.00 0.00 H new ATOM 0 HB THR A 71 10.240 -6.703 -14.499 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.159 -7.498 -15.360 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.520 -6.742 -12.140 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.092 -5.128 -12.627 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.347 -5.448 -12.481 1.00 0.00 H new ATOM 1137 N ASP A 72 9.937 -4.189 -17.168 1.00 0.00 N ATOM 1138 CA ASP A 72 10.618 -4.241 -18.456 1.00 0.00 C ATOM 1139 C ASP A 72 12.056 -4.725 -18.291 1.00 0.00 C ATOM 1140 O ASP A 72 12.934 -4.370 -19.079 1.00 0.00 O ATOM 1141 CB ASP A 72 10.604 -2.863 -19.120 1.00 0.00 C ATOM 1142 CG ASP A 72 11.256 -1.799 -18.259 1.00 0.00 C ATOM 1143 OD1 ASP A 72 12.502 -1.776 -18.187 1.00 0.00 O ATOM 1144 OD2 ASP A 72 10.520 -0.989 -17.657 1.00 0.00 O ATOM 0 H ASP A 72 9.680 -3.250 -16.864 1.00 0.00 H new ATOM 0 HA ASP A 72 10.086 -4.948 -19.092 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.122 -2.919 -20.078 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.574 -2.575 -19.331 1.00 0.00 H new