USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 578 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 60 GLN : amide:sc= -1.72! K(o=-5.2!,f=-1.1) USER MOD Set 1.2: A 67 GLN : amide:sc= -3.52! K(o=-5.2!,f=-2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0.664 (180deg=0.242) USER MOD Single : A 6 MET CE :methyl -158:sc= -4.89! (180deg=-6!) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.655 USER MOD Single : A 9 THR OG1 : rot 180:sc=0.000893 USER MOD Single : A 17 LYS NZ :NH3+ -121:sc= -1.24 (180deg=-3.38!) USER MOD Single : A 19 HIS : no HD1:sc= -0.334 K(o=-0.33,f=-1.1) USER MOD Single : A 20 GLN : amide:sc= -1.22 K(o=-1.2,f=-4.3!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.388 X(o=-0.39,f=-0.63) USER MOD Single : A 30 SER OG : rot -42:sc= 0.933 USER MOD Single : A 31 HIS : no HD1:sc= -0.125 X(o=-0.12,f=-0.011) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.216 K(o=-0.22,f=-0.91) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00147 USER MOD Single : A 38 HIS : no HD1:sc= -0.0156 X(o=-0.016,f=-0.41) USER MOD Single : A 58 GLN : amide:sc= -2.46 K(o=-2.5,f=-1.5) USER MOD Single : A 62 ASN : amide:sc= -0.602 X(o=-0.6,f=-0.95) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -60:sc= 0.439 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.595 0.622 -1.400 1.00 0.00 N ATOM 2 CA MET A 1 2.727 0.362 -2.543 1.00 0.00 C ATOM 3 C MET A 1 2.808 -1.101 -2.966 1.00 0.00 C ATOM 4 O MET A 1 3.882 -1.704 -2.949 1.00 0.00 O ATOM 5 CB MET A 1 3.110 1.266 -3.716 1.00 0.00 C ATOM 6 CG MET A 1 2.661 2.708 -3.544 1.00 0.00 C ATOM 7 SD MET A 1 3.828 3.689 -2.581 1.00 0.00 S ATOM 8 CE MET A 1 3.967 5.151 -3.606 1.00 0.00 C ATOM 0 H1 MET A 1 3.929 1.606 -1.434 1.00 0.00 H new ATOM 0 H2 MET A 1 3.065 0.467 -0.519 1.00 0.00 H new ATOM 0 H3 MET A 1 4.411 -0.022 -1.430 1.00 0.00 H new ATOM 0 HA MET A 1 1.701 0.579 -2.246 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.192 1.244 -3.843 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.674 0.865 -4.631 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.532 3.164 -4.526 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.687 2.725 -3.055 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.657 5.856 -3.142 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.341 4.871 -4.591 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.987 5.617 -3.710 1.00 0.00 H new ATOM 18 N ASP A 2 1.668 -1.667 -3.344 1.00 0.00 N ATOM 19 CA ASP A 2 1.610 -3.060 -3.772 1.00 0.00 C ATOM 20 C ASP A 2 2.002 -3.194 -5.240 1.00 0.00 C ATOM 21 O ASP A 2 1.176 -3.546 -6.083 1.00 0.00 O ATOM 22 CB ASP A 2 0.206 -3.626 -3.552 1.00 0.00 C ATOM 23 CG ASP A 2 -0.387 -3.203 -2.222 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.033 -2.135 -2.173 1.00 0.00 O ATOM 25 OD2 ASP A 2 -0.205 -3.940 -1.231 1.00 0.00 O ATOM 0 H ASP A 2 0.771 -1.183 -3.363 1.00 0.00 H new ATOM 0 HA ASP A 2 2.320 -3.629 -3.172 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.447 -3.294 -4.359 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.245 -4.714 -3.600 1.00 0.00 H new ATOM 30 N ARG A 3 3.265 -2.911 -5.539 1.00 0.00 N ATOM 31 CA ARG A 3 3.766 -2.997 -6.905 1.00 0.00 C ATOM 32 C ARG A 3 3.734 -4.439 -7.405 1.00 0.00 C ATOM 33 O ARG A 3 3.869 -5.380 -6.623 1.00 0.00 O ATOM 34 CB ARG A 3 5.192 -2.449 -6.985 1.00 0.00 C ATOM 35 CG ARG A 3 6.130 -3.039 -5.944 1.00 0.00 C ATOM 36 CD ARG A 3 7.579 -2.682 -6.235 1.00 0.00 C ATOM 37 NE ARG A 3 7.850 -1.265 -6.008 1.00 0.00 N ATOM 38 CZ ARG A 3 9.019 -0.690 -6.264 1.00 0.00 C ATOM 39 NH1 ARG A 3 10.021 -1.407 -6.755 1.00 0.00 N ATOM 40 NH2 ARG A 3 9.188 0.605 -6.031 1.00 0.00 N ATOM 0 H ARG A 3 3.961 -2.620 -4.853 1.00 0.00 H new ATOM 0 HA ARG A 3 3.118 -2.395 -7.542 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.594 -2.648 -7.978 1.00 0.00 H new ATOM 0 HB3 ARG A 3 5.163 -1.366 -6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 3 5.855 -2.672 -4.955 1.00 0.00 H new ATOM 0 HG3 ARG A 3 6.018 -4.123 -5.924 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.234 -3.282 -5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.814 -2.935 -7.269 1.00 0.00 H new ATOM 0 HE ARG A 3 7.100 -0.685 -5.632 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.895 -2.403 -6.937 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.918 -0.963 -6.951 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.419 1.160 -5.655 1.00 0.00 H new ATOM 0 HH22 ARG A 3 10.087 1.046 -6.228 1.00 0.00 H new ATOM 54 N ILE A 4 3.556 -4.602 -8.712 1.00 0.00 N ATOM 55 CA ILE A 4 3.508 -5.928 -9.315 1.00 0.00 C ATOM 56 C ILE A 4 4.334 -5.979 -10.597 1.00 0.00 C ATOM 57 O ILE A 4 3.988 -5.349 -11.596 1.00 0.00 O ATOM 58 CB ILE A 4 2.061 -6.350 -9.633 1.00 0.00 C ATOM 59 CG1 ILE A 4 1.192 -6.256 -8.377 1.00 0.00 C ATOM 60 CG2 ILE A 4 2.033 -7.762 -10.199 1.00 0.00 C ATOM 61 CD1 ILE A 4 -0.287 -6.411 -8.653 1.00 0.00 C ATOM 0 H ILE A 4 3.443 -3.833 -9.373 1.00 0.00 H new ATOM 0 HA ILE A 4 3.928 -6.621 -8.587 1.00 0.00 H new ATOM 0 HB ILE A 4 1.657 -5.671 -10.384 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.504 -7.025 -7.671 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.365 -5.293 -7.897 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.004 -8.046 -10.419 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.623 -7.799 -11.115 1.00 0.00 H new ATOM 0 HG23 ILE A 4 2.452 -8.455 -9.469 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.842 -6.334 -7.718 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.614 -5.626 -9.335 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.473 -7.385 -9.105 1.00 0.00 H new ATOM 73 N PHE A 5 5.426 -6.735 -10.560 1.00 0.00 N ATOM 74 CA PHE A 5 6.301 -6.870 -11.719 1.00 0.00 C ATOM 75 C PHE A 5 5.647 -7.728 -12.798 1.00 0.00 C ATOM 76 O PHE A 5 4.800 -8.571 -12.506 1.00 0.00 O ATOM 77 CB PHE A 5 7.640 -7.484 -11.305 1.00 0.00 C ATOM 78 CG PHE A 5 7.507 -8.838 -10.668 1.00 0.00 C ATOM 79 CD1 PHE A 5 7.437 -9.981 -11.448 1.00 0.00 C ATOM 80 CD2 PHE A 5 7.450 -8.968 -9.290 1.00 0.00 C ATOM 81 CE1 PHE A 5 7.315 -11.229 -10.865 1.00 0.00 C ATOM 82 CE2 PHE A 5 7.329 -10.213 -8.701 1.00 0.00 C ATOM 83 CZ PHE A 5 7.259 -11.344 -9.490 1.00 0.00 C ATOM 0 H PHE A 5 5.726 -7.263 -9.741 1.00 0.00 H new ATOM 0 HA PHE A 5 6.476 -5.875 -12.128 1.00 0.00 H new ATOM 0 HB2 PHE A 5 8.280 -7.566 -12.183 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.139 -6.811 -10.608 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.478 -9.896 -12.524 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.501 -8.086 -8.668 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.264 -12.112 -11.484 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.289 -10.301 -7.625 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.161 -12.317 -9.032 1.00 0.00 H new ATOM 93 N MET A 6 6.047 -7.506 -14.045 1.00 0.00 N ATOM 94 CA MET A 6 5.500 -8.259 -15.168 1.00 0.00 C ATOM 95 C MET A 6 6.183 -7.862 -16.473 1.00 0.00 C ATOM 96 O MET A 6 6.544 -6.701 -16.670 1.00 0.00 O ATOM 97 CB MET A 6 3.991 -8.028 -15.278 1.00 0.00 C ATOM 98 CG MET A 6 3.606 -6.560 -15.365 1.00 0.00 C ATOM 99 SD MET A 6 3.567 -5.951 -17.062 1.00 0.00 S ATOM 100 CE MET A 6 2.367 -4.630 -16.920 1.00 0.00 C ATOM 0 H MET A 6 6.748 -6.811 -14.304 1.00 0.00 H new ATOM 0 HA MET A 6 5.686 -9.318 -14.988 1.00 0.00 H new ATOM 0 HB2 MET A 6 3.616 -8.547 -16.160 1.00 0.00 H new ATOM 0 HB3 MET A 6 3.499 -8.474 -14.413 1.00 0.00 H new ATOM 0 HG2 MET A 6 2.626 -6.418 -14.910 1.00 0.00 H new ATOM 0 HG3 MET A 6 4.315 -5.968 -14.787 1.00 0.00 H new ATOM 0 HE1 MET A 6 1.942 -4.417 -17.901 1.00 0.00 H new ATOM 0 HE2 MET A 6 1.572 -4.932 -16.238 1.00 0.00 H new ATOM 0 HE3 MET A 6 2.855 -3.735 -16.534 1.00 0.00 H new ATOM 110 N THR A 7 6.359 -8.834 -17.363 1.00 0.00 N ATOM 111 CA THR A 7 7.000 -8.586 -18.648 1.00 0.00 C ATOM 112 C THR A 7 5.968 -8.293 -19.731 1.00 0.00 C ATOM 113 O THR A 7 4.767 -8.260 -19.463 1.00 0.00 O ATOM 114 CB THR A 7 7.861 -9.786 -19.087 1.00 0.00 C ATOM 115 OG1 THR A 7 7.019 -10.863 -19.513 1.00 0.00 O ATOM 116 CG2 THR A 7 8.756 -10.254 -17.950 1.00 0.00 C ATOM 0 H THR A 7 6.066 -9.800 -17.217 1.00 0.00 H new ATOM 0 HA THR A 7 7.642 -7.715 -18.517 1.00 0.00 H new ATOM 0 HB THR A 7 8.492 -9.469 -19.917 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.574 -11.621 -19.792 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.354 -11.102 -18.283 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.416 -9.441 -17.648 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.140 -10.555 -17.103 1.00 0.00 H new ATOM 124 N ARG A 8 6.443 -8.083 -20.954 1.00 0.00 N ATOM 125 CA ARG A 8 5.560 -7.792 -22.077 1.00 0.00 C ATOM 126 C ARG A 8 4.448 -8.831 -22.177 1.00 0.00 C ATOM 127 O ARG A 8 3.277 -8.490 -22.352 1.00 0.00 O ATOM 128 CB ARG A 8 6.357 -7.754 -23.383 1.00 0.00 C ATOM 129 CG ARG A 8 7.224 -8.983 -23.603 1.00 0.00 C ATOM 130 CD ARG A 8 8.192 -8.782 -24.758 1.00 0.00 C ATOM 131 NE ARG A 8 8.641 -10.052 -25.324 1.00 0.00 N ATOM 132 CZ ARG A 8 9.739 -10.181 -26.059 1.00 0.00 C ATOM 133 NH1 ARG A 8 10.497 -9.124 -26.317 1.00 0.00 N ATOM 134 NH2 ARG A 8 10.081 -11.370 -26.539 1.00 0.00 N ATOM 0 H ARG A 8 7.434 -8.109 -21.193 1.00 0.00 H new ATOM 0 HA ARG A 8 5.107 -6.815 -21.907 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.664 -7.654 -24.219 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.991 -6.867 -23.386 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.782 -9.203 -22.693 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.589 -9.846 -23.805 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.710 -8.189 -25.535 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.056 -8.214 -24.412 1.00 0.00 H new ATOM 0 HE ARG A 8 8.080 -10.885 -25.145 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.237 -8.208 -25.950 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.340 -9.227 -26.882 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.500 -12.185 -26.343 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.925 -11.469 -27.104 1.00 0.00 H new ATOM 148 N THR A 9 4.820 -10.103 -22.065 1.00 0.00 N ATOM 149 CA THR A 9 3.855 -11.192 -22.145 1.00 0.00 C ATOM 150 C THR A 9 2.935 -11.200 -20.930 1.00 0.00 C ATOM 151 O THR A 9 1.714 -11.267 -21.067 1.00 0.00 O ATOM 152 CB THR A 9 4.558 -12.558 -22.252 1.00 0.00 C ATOM 153 OG1 THR A 9 5.697 -12.457 -23.114 1.00 0.00 O ATOM 154 CG2 THR A 9 3.605 -13.617 -22.785 1.00 0.00 C ATOM 0 H THR A 9 5.784 -10.404 -21.919 1.00 0.00 H new ATOM 0 HA THR A 9 3.263 -11.025 -23.045 1.00 0.00 H new ATOM 0 HB THR A 9 4.883 -12.853 -21.254 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.139 -13.329 -23.175 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.124 -14.573 -22.852 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.754 -13.713 -22.111 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.253 -13.325 -23.775 1.00 0.00 H new ATOM 162 N GLU A 10 3.528 -11.132 -19.743 1.00 0.00 N ATOM 163 CA GLU A 10 2.759 -11.132 -18.504 1.00 0.00 C ATOM 164 C GLU A 10 1.817 -9.933 -18.448 1.00 0.00 C ATOM 165 O GLU A 10 0.846 -9.928 -17.692 1.00 0.00 O ATOM 166 CB GLU A 10 3.698 -11.114 -17.295 1.00 0.00 C ATOM 167 CG GLU A 10 4.806 -12.150 -17.370 1.00 0.00 C ATOM 168 CD GLU A 10 5.652 -12.191 -16.112 1.00 0.00 C ATOM 169 OE1 GLU A 10 5.138 -11.808 -15.039 1.00 0.00 O ATOM 170 OE2 GLU A 10 6.827 -12.606 -16.199 1.00 0.00 O ATOM 0 H GLU A 10 4.538 -11.076 -19.613 1.00 0.00 H new ATOM 0 HA GLU A 10 2.161 -12.043 -18.477 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.144 -10.123 -17.207 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.115 -11.283 -16.390 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.368 -13.133 -17.541 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.445 -11.932 -18.226 1.00 0.00 H new ATOM 177 N ALA A 11 2.112 -8.918 -19.254 1.00 0.00 N ATOM 178 CA ALA A 11 1.292 -7.714 -19.298 1.00 0.00 C ATOM 179 C ALA A 11 -0.185 -8.062 -19.456 1.00 0.00 C ATOM 180 O ALA A 11 -1.058 -7.338 -18.976 1.00 0.00 O ATOM 181 CB ALA A 11 1.747 -6.807 -20.431 1.00 0.00 C ATOM 0 H ALA A 11 2.913 -8.906 -19.885 1.00 0.00 H new ATOM 0 HA ALA A 11 1.415 -7.185 -18.353 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.126 -5.912 -20.452 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.788 -6.523 -20.274 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.654 -7.335 -21.380 1.00 0.00 H new ATOM 187 N LEU A 12 -0.457 -9.172 -20.132 1.00 0.00 N ATOM 188 CA LEU A 12 -1.829 -9.615 -20.355 1.00 0.00 C ATOM 189 C LEU A 12 -2.608 -9.653 -19.044 1.00 0.00 C ATOM 190 O LEU A 12 -3.752 -9.203 -18.978 1.00 0.00 O ATOM 191 CB LEU A 12 -1.839 -10.999 -21.008 1.00 0.00 C ATOM 192 CG LEU A 12 -1.015 -11.143 -22.288 1.00 0.00 C ATOM 193 CD1 LEU A 12 -0.505 -12.568 -22.436 1.00 0.00 C ATOM 194 CD2 LEU A 12 -1.839 -10.740 -23.502 1.00 0.00 C ATOM 0 H LEU A 12 0.254 -9.782 -20.535 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.312 -8.901 -21.023 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.474 -11.724 -20.281 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.872 -11.265 -21.233 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.155 -10.476 -22.221 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.079 -12.652 -23.352 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.122 -12.821 -21.581 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.351 -13.254 -22.481 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.236 -10.849 -24.403 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.718 -11.380 -23.574 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.154 -9.702 -23.400 1.00 0.00 H new ATOM 206 N GLU A 13 -1.980 -10.192 -18.004 1.00 0.00 N ATOM 207 CA GLU A 13 -2.616 -10.287 -16.694 1.00 0.00 C ATOM 208 C GLU A 13 -2.910 -8.899 -16.131 1.00 0.00 C ATOM 209 O GLU A 13 -3.929 -8.687 -15.474 1.00 0.00 O ATOM 210 CB GLU A 13 -1.723 -11.064 -15.725 1.00 0.00 C ATOM 211 CG GLU A 13 -2.396 -11.382 -14.400 1.00 0.00 C ATOM 212 CD GLU A 13 -3.201 -12.666 -14.447 1.00 0.00 C ATOM 213 OE1 GLU A 13 -2.649 -13.697 -14.885 1.00 0.00 O ATOM 214 OE2 GLU A 13 -4.383 -12.639 -14.045 1.00 0.00 O ATOM 0 H GLU A 13 -1.033 -10.569 -18.042 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.560 -10.819 -16.813 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.412 -11.996 -16.198 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.819 -10.486 -15.534 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.637 -11.462 -13.622 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.052 -10.557 -14.123 1.00 0.00 H new ATOM 221 N PHE A 14 -2.009 -7.958 -16.392 1.00 0.00 N ATOM 222 CA PHE A 14 -2.170 -6.591 -15.910 1.00 0.00 C ATOM 223 C PHE A 14 -3.376 -5.922 -16.564 1.00 0.00 C ATOM 224 O PHE A 14 -4.174 -5.264 -15.895 1.00 0.00 O ATOM 225 CB PHE A 14 -0.906 -5.776 -16.191 1.00 0.00 C ATOM 226 CG PHE A 14 -1.081 -4.302 -15.965 1.00 0.00 C ATOM 227 CD1 PHE A 14 -1.745 -3.833 -14.843 1.00 0.00 C ATOM 228 CD2 PHE A 14 -0.581 -3.384 -16.875 1.00 0.00 C ATOM 229 CE1 PHE A 14 -1.908 -2.477 -14.633 1.00 0.00 C ATOM 230 CE2 PHE A 14 -0.740 -2.026 -16.670 1.00 0.00 C ATOM 231 CZ PHE A 14 -1.404 -1.572 -15.547 1.00 0.00 C ATOM 0 H PHE A 14 -1.160 -8.117 -16.934 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.337 -6.629 -14.834 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.100 -6.140 -15.554 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.597 -5.943 -17.223 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.140 -4.536 -14.124 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.061 -3.734 -17.755 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.429 -2.125 -13.755 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.346 -1.321 -17.387 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.529 -0.512 -15.384 1.00 0.00 H new ATOM 241 N LEU A 15 -3.502 -6.095 -17.875 1.00 0.00 N ATOM 242 CA LEU A 15 -4.610 -5.509 -18.621 1.00 0.00 C ATOM 243 C LEU A 15 -5.926 -6.197 -18.273 1.00 0.00 C ATOM 244 O LEU A 15 -6.984 -5.567 -18.261 1.00 0.00 O ATOM 245 CB LEU A 15 -4.349 -5.611 -20.125 1.00 0.00 C ATOM 246 CG LEU A 15 -3.003 -5.072 -20.611 1.00 0.00 C ATOM 247 CD1 LEU A 15 -2.533 -5.838 -21.837 1.00 0.00 C ATOM 248 CD2 LEU A 15 -3.104 -3.584 -20.915 1.00 0.00 C ATOM 0 H LEU A 15 -2.851 -6.636 -18.443 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.687 -4.458 -18.343 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.425 -6.659 -20.416 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.142 -5.077 -20.648 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.269 -5.212 -19.818 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.574 -5.441 -22.169 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.422 -6.893 -21.586 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.266 -5.731 -22.636 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.137 -3.217 -21.260 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.852 -3.421 -21.691 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.395 -3.047 -20.012 1.00 0.00 H new ATOM 260 N LEU A 16 -5.852 -7.493 -17.989 1.00 0.00 N ATOM 261 CA LEU A 16 -7.038 -8.267 -17.638 1.00 0.00 C ATOM 262 C LEU A 16 -7.494 -7.951 -16.218 1.00 0.00 C ATOM 263 O LEU A 16 -8.689 -7.813 -15.954 1.00 0.00 O ATOM 264 CB LEU A 16 -6.751 -9.764 -17.772 1.00 0.00 C ATOM 265 CG LEU A 16 -7.956 -10.654 -18.076 1.00 0.00 C ATOM 266 CD1 LEU A 16 -7.503 -12.054 -18.460 1.00 0.00 C ATOM 267 CD2 LEU A 16 -8.897 -10.704 -16.882 1.00 0.00 C ATOM 0 H LEU A 16 -4.984 -8.029 -17.995 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.838 -7.993 -18.326 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.014 -9.903 -18.563 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.294 -10.110 -16.845 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.496 -10.225 -18.920 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.375 -12.673 -18.673 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.870 -12.001 -19.346 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.939 -12.492 -17.637 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.749 -11.342 -17.117 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.368 -11.108 -16.019 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.249 -9.698 -16.654 1.00 0.00 H new ATOM 279 N LYS A 17 -6.535 -7.834 -15.305 1.00 0.00 N ATOM 280 CA LYS A 17 -6.837 -7.530 -13.912 1.00 0.00 C ATOM 281 C LYS A 17 -7.213 -6.061 -13.745 1.00 0.00 C ATOM 282 O LYS A 17 -7.982 -5.705 -12.852 1.00 0.00 O ATOM 283 CB LYS A 17 -5.637 -7.864 -13.024 1.00 0.00 C ATOM 284 CG LYS A 17 -4.504 -6.858 -13.129 1.00 0.00 C ATOM 285 CD LYS A 17 -3.302 -7.282 -12.301 1.00 0.00 C ATOM 286 CE LYS A 17 -3.654 -7.395 -10.826 1.00 0.00 C ATOM 287 NZ LYS A 17 -4.225 -6.128 -10.293 1.00 0.00 N ATOM 0 H LYS A 17 -5.541 -7.945 -15.506 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.687 -8.141 -13.609 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.967 -7.919 -11.987 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.261 -8.851 -13.292 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.208 -6.750 -14.172 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.852 -5.881 -12.793 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.930 -8.241 -12.662 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.497 -6.559 -12.430 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.371 -8.204 -10.685 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.761 -7.658 -10.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.634 -5.784 -9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.249 -5.413 -11.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.191 -6.300 -9.949 1.00 0.00 H new ATOM 301 N ALA A 18 -6.667 -5.213 -14.610 1.00 0.00 N ATOM 302 CA ALA A 18 -6.949 -3.784 -14.560 1.00 0.00 C ATOM 303 C ALA A 18 -8.365 -3.486 -15.040 1.00 0.00 C ATOM 304 O ALA A 18 -9.026 -2.580 -14.531 1.00 0.00 O ATOM 305 CB ALA A 18 -5.934 -3.016 -15.395 1.00 0.00 C ATOM 0 H ALA A 18 -6.027 -5.491 -15.354 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.870 -3.460 -13.522 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.157 -1.950 -15.349 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.932 -3.195 -15.005 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.985 -3.353 -16.430 1.00 0.00 H new ATOM 311 N HIS A 19 -8.826 -4.253 -16.023 1.00 0.00 N ATOM 312 CA HIS A 19 -10.165 -4.071 -16.571 1.00 0.00 C ATOM 313 C HIS A 19 -11.221 -4.191 -15.477 1.00 0.00 C ATOM 314 O HIS A 19 -12.190 -3.433 -15.451 1.00 0.00 O ATOM 315 CB HIS A 19 -10.433 -5.099 -17.671 1.00 0.00 C ATOM 316 CG HIS A 19 -11.423 -4.636 -18.695 1.00 0.00 C ATOM 317 ND1 HIS A 19 -12.732 -5.069 -18.727 1.00 0.00 N ATOM 318 CD2 HIS A 19 -11.289 -3.771 -19.728 1.00 0.00 C ATOM 319 CE1 HIS A 19 -13.360 -4.492 -19.736 1.00 0.00 C ATOM 320 NE2 HIS A 19 -12.507 -3.699 -20.359 1.00 0.00 N ATOM 0 H HIS A 19 -8.292 -5.006 -16.456 1.00 0.00 H new ATOM 0 HA HIS A 19 -10.223 -3.070 -16.998 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -9.494 -5.340 -18.169 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -10.797 -6.020 -17.215 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -10.392 -3.237 -20.004 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -14.395 -4.643 -20.006 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -12.718 -3.126 -21.176 1.00 0.00 H new ATOM 328 N GLN A 20 -11.027 -5.150 -14.577 1.00 0.00 N ATOM 329 CA GLN A 20 -11.965 -5.370 -13.482 1.00 0.00 C ATOM 330 C GLN A 20 -12.172 -4.091 -12.677 1.00 0.00 C ATOM 331 O GLN A 20 -13.281 -3.799 -12.229 1.00 0.00 O ATOM 332 CB GLN A 20 -11.459 -6.486 -12.566 1.00 0.00 C ATOM 333 CG GLN A 20 -12.517 -7.015 -11.611 1.00 0.00 C ATOM 334 CD GLN A 20 -12.638 -6.178 -10.353 1.00 0.00 C ATOM 335 OE1 GLN A 20 -11.845 -5.265 -10.122 1.00 0.00 O ATOM 336 NE2 GLN A 20 -13.635 -6.486 -9.531 1.00 0.00 N ATOM 0 H GLN A 20 -10.230 -5.786 -14.584 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.922 -5.667 -13.911 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.090 -7.309 -13.179 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.613 -6.115 -11.988 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.480 -7.040 -12.120 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -12.274 -8.042 -11.338 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.269 -7.251 -9.762 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.767 -5.958 -8.669 1.00 0.00 H new ATOM 345 N THR A 21 -11.097 -3.330 -12.497 1.00 0.00 N ATOM 346 CA THR A 21 -11.160 -2.083 -11.746 1.00 0.00 C ATOM 347 C THR A 21 -11.920 -1.012 -12.520 1.00 0.00 C ATOM 348 O THR A 21 -12.763 -0.310 -11.962 1.00 0.00 O ATOM 349 CB THR A 21 -9.752 -1.556 -11.411 1.00 0.00 C ATOM 350 OG1 THR A 21 -8.895 -2.645 -11.050 1.00 0.00 O ATOM 351 CG2 THR A 21 -9.807 -0.548 -10.273 1.00 0.00 C ATOM 0 H THR A 21 -10.172 -3.556 -12.862 1.00 0.00 H new ATOM 0 HA THR A 21 -11.689 -2.301 -10.818 1.00 0.00 H new ATOM 0 HB THR A 21 -9.354 -1.059 -12.296 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.001 -2.302 -10.840 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.801 -0.190 -10.055 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.436 0.294 -10.562 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.223 -1.024 -9.385 1.00 0.00 H new ATOM 359 N ALA A 22 -11.618 -0.893 -13.808 1.00 0.00 N ATOM 360 CA ALA A 22 -12.275 0.091 -14.660 1.00 0.00 C ATOM 361 C ALA A 22 -13.769 -0.192 -14.773 1.00 0.00 C ATOM 362 O ALA A 22 -14.597 0.682 -14.516 1.00 0.00 O ATOM 363 CB ALA A 22 -11.633 0.108 -16.039 1.00 0.00 C ATOM 0 H ALA A 22 -10.922 -1.466 -14.285 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.151 1.072 -14.202 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.134 0.847 -16.664 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.578 0.366 -15.946 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.727 -0.877 -16.496 1.00 0.00 H new ATOM 369 N VAL A 23 -14.107 -1.418 -15.159 1.00 0.00 N ATOM 370 CA VAL A 23 -15.502 -1.816 -15.306 1.00 0.00 C ATOM 371 C VAL A 23 -16.289 -1.540 -14.030 1.00 0.00 C ATOM 372 O VAL A 23 -17.476 -1.214 -14.078 1.00 0.00 O ATOM 373 CB VAL A 23 -15.626 -3.309 -15.660 1.00 0.00 C ATOM 374 CG1 VAL A 23 -17.085 -3.695 -15.847 1.00 0.00 C ATOM 375 CG2 VAL A 23 -14.817 -3.629 -16.908 1.00 0.00 C ATOM 0 H VAL A 23 -13.434 -2.153 -15.376 1.00 0.00 H new ATOM 0 HA VAL A 23 -15.916 -1.222 -16.121 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.224 -3.895 -14.833 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -17.152 -4.754 -16.097 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -17.633 -3.504 -14.924 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -17.517 -3.104 -16.654 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -14.916 -4.689 -17.144 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.187 -3.035 -17.744 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.768 -3.393 -16.732 1.00 0.00 H new ATOM 385 N ASP A 24 -15.621 -1.673 -12.889 1.00 0.00 N ATOM 386 CA ASP A 24 -16.258 -1.437 -11.598 1.00 0.00 C ATOM 387 C ASP A 24 -16.269 0.051 -11.262 1.00 0.00 C ATOM 388 O ASP A 24 -17.125 0.523 -10.513 1.00 0.00 O ATOM 389 CB ASP A 24 -15.534 -2.216 -10.499 1.00 0.00 C ATOM 390 CG ASP A 24 -16.448 -2.570 -9.342 1.00 0.00 C ATOM 391 OD1 ASP A 24 -17.204 -1.684 -8.892 1.00 0.00 O ATOM 392 OD2 ASP A 24 -16.407 -3.732 -8.887 1.00 0.00 O ATOM 0 H ASP A 24 -14.639 -1.943 -12.832 1.00 0.00 H new ATOM 0 HA ASP A 24 -17.289 -1.785 -11.660 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.116 -3.130 -10.921 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.697 -1.624 -10.129 1.00 0.00 H new ATOM 397 N LYS A 25 -15.313 0.785 -11.820 1.00 0.00 N ATOM 398 CA LYS A 25 -15.211 2.220 -11.580 1.00 0.00 C ATOM 399 C LYS A 25 -16.344 2.969 -12.274 1.00 0.00 C ATOM 400 O LYS A 25 -16.948 3.874 -11.697 1.00 0.00 O ATOM 401 CB LYS A 25 -13.861 2.746 -12.072 1.00 0.00 C ATOM 402 CG LYS A 25 -13.403 4.007 -11.360 1.00 0.00 C ATOM 403 CD LYS A 25 -12.208 4.637 -12.055 1.00 0.00 C ATOM 404 CE LYS A 25 -12.136 6.134 -11.791 1.00 0.00 C ATOM 405 NZ LYS A 25 -12.955 6.909 -12.763 1.00 0.00 N ATOM 0 H LYS A 25 -14.597 0.410 -12.442 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.290 2.390 -10.506 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.108 1.970 -11.939 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.927 2.946 -13.141 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.223 4.724 -11.324 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.142 3.769 -10.329 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.291 4.161 -11.708 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.274 4.458 -13.128 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.482 6.341 -10.778 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.098 6.463 -11.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.879 7.924 -12.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.609 6.732 -13.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.950 6.614 -12.692 1.00 0.00 H new ATOM 419 N ILE A 26 -16.629 2.585 -13.514 1.00 0.00 N ATOM 420 CA ILE A 26 -17.691 3.219 -14.285 1.00 0.00 C ATOM 421 C ILE A 26 -19.063 2.724 -13.841 1.00 0.00 C ATOM 422 O ILE A 26 -20.071 3.403 -14.029 1.00 0.00 O ATOM 423 CB ILE A 26 -17.526 2.957 -15.793 1.00 0.00 C ATOM 424 CG1 ILE A 26 -16.104 3.303 -16.241 1.00 0.00 C ATOM 425 CG2 ILE A 26 -18.546 3.760 -16.586 1.00 0.00 C ATOM 426 CD1 ILE A 26 -15.845 3.020 -17.704 1.00 0.00 C ATOM 0 H ILE A 26 -16.139 1.838 -14.006 1.00 0.00 H new ATOM 0 HA ILE A 26 -17.617 4.291 -14.101 1.00 0.00 H new ATOM 0 HB ILE A 26 -17.700 1.898 -15.983 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -15.917 4.359 -16.045 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -15.394 2.736 -15.639 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -18.416 3.564 -17.650 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -19.552 3.470 -16.284 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -18.402 4.823 -16.393 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -14.818 3.289 -17.950 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -16.000 1.959 -17.902 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -16.531 3.607 -18.315 1.00 0.00 H new ATOM 438 N GLY A 27 -19.093 1.533 -13.249 1.00 0.00 N ATOM 439 CA GLY A 27 -20.346 0.967 -12.786 1.00 0.00 C ATOM 440 C GLY A 27 -21.209 0.460 -13.924 1.00 0.00 C ATOM 441 O GLY A 27 -22.437 0.534 -13.863 1.00 0.00 O ATOM 0 H GLY A 27 -18.272 0.951 -13.082 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.139 0.147 -12.098 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.897 1.722 -12.225 1.00 0.00 H new ATOM 445 N HIS A 28 -20.567 -0.056 -14.968 1.00 0.00 N ATOM 446 CA HIS A 28 -21.284 -0.576 -16.126 1.00 0.00 C ATOM 447 C HIS A 28 -22.332 -1.601 -15.702 1.00 0.00 C ATOM 448 O HIS A 28 -22.243 -2.210 -14.636 1.00 0.00 O ATOM 449 CB HIS A 28 -20.306 -1.210 -17.116 1.00 0.00 C ATOM 450 CG HIS A 28 -19.915 -0.300 -18.239 1.00 0.00 C ATOM 451 ND1 HIS A 28 -19.557 1.018 -18.050 1.00 0.00 N ATOM 452 CD2 HIS A 28 -19.826 -0.525 -19.571 1.00 0.00 C ATOM 453 CE1 HIS A 28 -19.267 1.565 -19.217 1.00 0.00 C ATOM 454 NE2 HIS A 28 -19.422 0.650 -20.156 1.00 0.00 N ATOM 0 H HIS A 28 -19.552 -0.125 -15.035 1.00 0.00 H new ATOM 0 HA HIS A 28 -21.792 0.257 -16.611 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -19.408 -1.518 -16.580 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -20.756 -2.112 -17.530 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -20.034 -1.455 -20.079 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -18.956 2.587 -19.376 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -19.267 0.793 -21.154 1.00 0.00 H new ATOM 462 N PRO A 29 -23.350 -1.795 -16.553 1.00 0.00 N ATOM 463 CA PRO A 29 -24.434 -2.745 -16.287 1.00 0.00 C ATOM 464 C PRO A 29 -23.966 -4.194 -16.362 1.00 0.00 C ATOM 465 O PRO A 29 -22.840 -4.472 -16.773 1.00 0.00 O ATOM 466 CB PRO A 29 -25.444 -2.450 -17.399 1.00 0.00 C ATOM 467 CG PRO A 29 -24.632 -1.868 -18.504 1.00 0.00 C ATOM 468 CD PRO A 29 -23.520 -1.102 -17.842 1.00 0.00 C ATOM 0 HA PRO A 29 -24.840 -2.630 -15.282 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -25.956 -3.357 -17.720 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -26.211 -1.753 -17.062 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -24.235 -2.651 -19.151 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -25.238 -1.213 -19.130 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -22.606 -1.127 -18.435 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -23.782 -0.053 -17.703 1.00 0.00 H new ATOM 476 N SER A 30 -24.839 -5.114 -15.963 1.00 0.00 N ATOM 477 CA SER A 30 -24.513 -6.535 -15.981 1.00 0.00 C ATOM 478 C SER A 30 -25.506 -7.309 -16.844 1.00 0.00 C ATOM 479 O SER A 30 -25.671 -8.519 -16.688 1.00 0.00 O ATOM 480 CB SER A 30 -24.509 -7.098 -14.559 1.00 0.00 C ATOM 481 OG SER A 30 -24.107 -8.456 -14.549 1.00 0.00 O ATOM 0 H SER A 30 -25.777 -4.901 -15.624 1.00 0.00 H new ATOM 0 HA SER A 30 -23.518 -6.649 -16.411 1.00 0.00 H new ATOM 0 HB2 SER A 30 -23.835 -6.512 -13.934 1.00 0.00 H new ATOM 0 HB3 SER A 30 -25.505 -7.007 -14.126 1.00 0.00 H new ATOM 0 HG SER A 30 -24.527 -8.927 -15.299 1.00 0.00 H new ATOM 487 N HIS A 31 -26.167 -6.600 -17.754 1.00 0.00 N ATOM 488 CA HIS A 31 -27.145 -7.219 -18.642 1.00 0.00 C ATOM 489 C HIS A 31 -26.470 -8.208 -19.588 1.00 0.00 C ATOM 490 O HIS A 31 -25.244 -8.234 -19.706 1.00 0.00 O ATOM 491 CB HIS A 31 -27.883 -6.149 -19.447 1.00 0.00 C ATOM 492 CG HIS A 31 -29.297 -6.518 -19.777 1.00 0.00 C ATOM 493 ND1 HIS A 31 -29.849 -6.339 -21.028 1.00 0.00 N ATOM 494 CD2 HIS A 31 -30.273 -7.059 -19.011 1.00 0.00 C ATOM 495 CE1 HIS A 31 -31.103 -6.753 -21.017 1.00 0.00 C ATOM 496 NE2 HIS A 31 -31.385 -7.195 -19.805 1.00 0.00 N ATOM 0 H HIS A 31 -26.043 -5.597 -17.896 1.00 0.00 H new ATOM 0 HA HIS A 31 -27.864 -7.762 -18.028 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -27.882 -5.216 -18.883 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -27.339 -5.963 -20.373 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -30.192 -7.333 -17.969 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -31.782 -6.733 -21.856 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -32.283 -7.576 -19.507 1.00 0.00 H new ATOM 504 N LYS A 32 -27.277 -9.023 -20.259 1.00 0.00 N ATOM 505 CA LYS A 32 -26.759 -10.014 -21.195 1.00 0.00 C ATOM 506 C LYS A 32 -25.865 -9.358 -22.242 1.00 0.00 C ATOM 507 O LYS A 32 -26.001 -8.170 -22.530 1.00 0.00 O ATOM 508 CB LYS A 32 -27.913 -10.749 -21.881 1.00 0.00 C ATOM 509 CG LYS A 32 -28.583 -11.787 -20.998 1.00 0.00 C ATOM 510 CD LYS A 32 -29.892 -12.270 -21.600 1.00 0.00 C ATOM 511 CE LYS A 32 -30.249 -13.666 -21.112 1.00 0.00 C ATOM 512 NZ LYS A 32 -30.810 -13.644 -19.733 1.00 0.00 N ATOM 0 H LYS A 32 -28.293 -9.017 -20.172 1.00 0.00 H new ATOM 0 HA LYS A 32 -26.162 -10.732 -20.633 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -28.658 -10.020 -22.200 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -27.538 -11.237 -22.781 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -27.912 -12.634 -20.857 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -28.770 -11.361 -20.012 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -30.691 -11.577 -21.339 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -29.815 -12.272 -22.687 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -30.974 -14.114 -21.792 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -29.360 -14.296 -21.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -31.041 -14.614 -19.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -30.109 -13.240 -19.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -31.673 -13.063 -19.718 1.00 0.00 H new ATOM 526 N GLN A 33 -24.953 -10.142 -22.810 1.00 0.00 N ATOM 527 CA GLN A 33 -24.038 -9.636 -23.826 1.00 0.00 C ATOM 528 C GLN A 33 -24.803 -8.954 -24.956 1.00 0.00 C ATOM 529 O GLN A 33 -25.868 -9.416 -25.367 1.00 0.00 O ATOM 530 CB GLN A 33 -23.185 -10.775 -24.386 1.00 0.00 C ATOM 531 CG GLN A 33 -24.001 -11.909 -24.986 1.00 0.00 C ATOM 532 CD GLN A 33 -24.155 -11.786 -26.489 1.00 0.00 C ATOM 533 OE1 GLN A 33 -23.214 -11.419 -27.193 1.00 0.00 O ATOM 534 NE2 GLN A 33 -25.346 -12.092 -26.989 1.00 0.00 N ATOM 0 H GLN A 33 -24.829 -11.129 -22.584 1.00 0.00 H new ATOM 0 HA GLN A 33 -23.385 -8.899 -23.358 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -22.517 -10.376 -25.149 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -22.557 -11.173 -23.589 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -23.523 -12.860 -24.750 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -24.988 -11.925 -24.524 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -26.098 -12.392 -26.368 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -25.509 -12.027 -27.994 1.00 0.00 H new ATOM 543 N THR A 34 -24.253 -7.851 -25.455 1.00 0.00 N ATOM 544 CA THR A 34 -24.884 -7.105 -26.536 1.00 0.00 C ATOM 545 C THR A 34 -24.064 -7.196 -27.818 1.00 0.00 C ATOM 546 O THR A 34 -22.871 -7.499 -27.801 1.00 0.00 O ATOM 547 CB THR A 34 -25.067 -5.622 -26.162 1.00 0.00 C ATOM 548 OG1 THR A 34 -24.049 -5.220 -25.239 1.00 0.00 O ATOM 549 CG2 THR A 34 -26.439 -5.384 -25.548 1.00 0.00 C ATOM 0 H THR A 34 -23.372 -7.455 -25.127 1.00 0.00 H new ATOM 0 HA THR A 34 -25.863 -7.554 -26.701 1.00 0.00 H new ATOM 0 HB THR A 34 -24.986 -5.028 -27.072 1.00 0.00 H new ATOM 0 HG1 THR A 34 -24.172 -4.276 -25.008 1.00 0.00 H new ATOM 0 HG21 THR A 34 -26.545 -4.330 -25.292 1.00 0.00 H new ATOM 0 HG22 THR A 34 -27.212 -5.663 -26.264 1.00 0.00 H new ATOM 0 HG23 THR A 34 -26.544 -5.989 -24.647 1.00 0.00 H new ATOM 557 N PRO A 35 -24.717 -6.929 -28.959 1.00 0.00 N ATOM 558 CA PRO A 35 -24.067 -6.973 -30.272 1.00 0.00 C ATOM 559 C PRO A 35 -23.067 -5.837 -30.463 1.00 0.00 C ATOM 560 O PRO A 35 -22.062 -5.993 -31.156 1.00 0.00 O ATOM 561 CB PRO A 35 -25.234 -6.828 -31.251 1.00 0.00 C ATOM 562 CG PRO A 35 -26.287 -6.108 -30.481 1.00 0.00 C ATOM 563 CD PRO A 35 -26.140 -6.561 -29.055 1.00 0.00 C ATOM 0 HA PRO A 35 -23.489 -7.887 -30.409 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -24.939 -6.267 -32.138 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -25.588 -7.801 -31.592 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -26.161 -5.028 -30.562 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -27.280 -6.342 -30.865 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -26.398 -5.768 -28.353 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -26.790 -7.408 -28.833 1.00 0.00 H new ATOM 571 N ALA A 36 -23.350 -4.696 -29.844 1.00 0.00 N ATOM 572 CA ALA A 36 -22.474 -3.535 -29.944 1.00 0.00 C ATOM 573 C ALA A 36 -21.052 -3.882 -29.517 1.00 0.00 C ATOM 574 O ALA A 36 -20.089 -3.266 -29.973 1.00 0.00 O ATOM 575 CB ALA A 36 -23.016 -2.391 -29.100 1.00 0.00 C ATOM 0 H ALA A 36 -24.179 -4.551 -29.268 1.00 0.00 H new ATOM 0 HA ALA A 36 -22.446 -3.221 -30.987 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.352 -1.531 -29.184 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -24.010 -2.118 -29.453 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.074 -2.704 -28.057 1.00 0.00 H new ATOM 581 N ASP A 37 -20.928 -4.872 -28.639 1.00 0.00 N ATOM 582 CA ASP A 37 -19.623 -5.301 -28.150 1.00 0.00 C ATOM 583 C ASP A 37 -18.687 -5.624 -29.311 1.00 0.00 C ATOM 584 O ASP A 37 -17.479 -5.399 -29.229 1.00 0.00 O ATOM 585 CB ASP A 37 -19.771 -6.524 -27.244 1.00 0.00 C ATOM 586 CG ASP A 37 -18.465 -6.913 -26.579 1.00 0.00 C ATOM 587 OD1 ASP A 37 -17.529 -6.087 -26.580 1.00 0.00 O ATOM 588 OD2 ASP A 37 -18.380 -8.044 -26.057 1.00 0.00 O ATOM 0 H ASP A 37 -21.715 -5.392 -28.252 1.00 0.00 H new ATOM 0 HA ASP A 37 -19.191 -4.482 -27.575 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -20.518 -6.317 -26.478 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -20.141 -7.365 -27.831 1.00 0.00 H new ATOM 593 N HIS A 38 -19.253 -6.152 -30.392 1.00 0.00 N ATOM 594 CA HIS A 38 -18.469 -6.506 -31.570 1.00 0.00 C ATOM 595 C HIS A 38 -17.641 -5.318 -32.049 1.00 0.00 C ATOM 596 O HIS A 38 -16.432 -5.430 -32.244 1.00 0.00 O ATOM 597 CB HIS A 38 -19.387 -6.989 -32.693 1.00 0.00 C ATOM 598 CG HIS A 38 -18.727 -7.946 -33.637 1.00 0.00 C ATOM 599 ND1 HIS A 38 -17.461 -7.746 -34.148 1.00 0.00 N ATOM 600 CD2 HIS A 38 -19.162 -9.116 -34.161 1.00 0.00 C ATOM 601 CE1 HIS A 38 -17.148 -8.751 -34.947 1.00 0.00 C ATOM 602 NE2 HIS A 38 -18.163 -9.596 -34.972 1.00 0.00 N ATOM 0 H HIS A 38 -20.251 -6.344 -30.476 1.00 0.00 H new ATOM 0 HA HIS A 38 -17.789 -7.312 -31.295 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -20.262 -7.469 -32.255 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -19.745 -6.126 -33.255 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -20.117 -9.585 -33.976 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -16.220 -8.863 -35.488 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -18.199 -10.464 -35.507 1.00 0.00 H new ATOM 610 N ALA A 39 -18.302 -4.180 -32.237 1.00 0.00 N ATOM 611 CA ALA A 39 -17.627 -2.971 -32.692 1.00 0.00 C ATOM 612 C ALA A 39 -16.681 -2.435 -31.623 1.00 0.00 C ATOM 613 O ALA A 39 -15.636 -1.866 -31.935 1.00 0.00 O ATOM 614 CB ALA A 39 -18.648 -1.910 -33.076 1.00 0.00 C ATOM 0 H ALA A 39 -19.304 -4.070 -32.081 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.034 -3.224 -33.571 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.130 -1.012 -33.414 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -19.281 -2.288 -33.879 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -19.265 -1.669 -32.211 1.00 0.00 H new ATOM 620 N ALA A 40 -17.056 -2.620 -30.361 1.00 0.00 N ATOM 621 CA ALA A 40 -16.240 -2.156 -29.246 1.00 0.00 C ATOM 622 C ALA A 40 -14.831 -2.736 -29.318 1.00 0.00 C ATOM 623 O ALA A 40 -13.876 -2.134 -28.825 1.00 0.00 O ATOM 624 CB ALA A 40 -16.896 -2.522 -27.923 1.00 0.00 C ATOM 0 H ALA A 40 -17.920 -3.088 -30.086 1.00 0.00 H new ATOM 0 HA ALA A 40 -16.162 -1.071 -29.312 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.275 -2.169 -27.099 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.879 -2.055 -27.863 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.004 -3.605 -27.858 1.00 0.00 H new ATOM 630 N ILE A 41 -14.709 -3.907 -29.933 1.00 0.00 N ATOM 631 CA ILE A 41 -13.417 -4.567 -30.069 1.00 0.00 C ATOM 632 C ILE A 41 -12.401 -3.652 -30.744 1.00 0.00 C ATOM 633 O ILE A 41 -11.198 -3.766 -30.509 1.00 0.00 O ATOM 634 CB ILE A 41 -13.534 -5.872 -30.880 1.00 0.00 C ATOM 635 CG1 ILE A 41 -14.528 -6.825 -30.213 1.00 0.00 C ATOM 636 CG2 ILE A 41 -12.171 -6.533 -31.019 1.00 0.00 C ATOM 637 CD1 ILE A 41 -14.949 -7.976 -31.100 1.00 0.00 C ATOM 0 H ILE A 41 -15.489 -4.418 -30.345 1.00 0.00 H new ATOM 0 HA ILE A 41 -13.076 -4.804 -29.061 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.903 -5.631 -31.877 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -14.082 -7.223 -29.302 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -15.414 -6.264 -29.915 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.270 -7.454 -31.594 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.489 -5.856 -31.533 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -11.776 -6.764 -30.030 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -15.654 -8.611 -30.563 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.425 -7.587 -32.000 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -14.072 -8.561 -31.377 1.00 0.00 H new ATOM 649 N GLU A 42 -12.893 -2.745 -31.581 1.00 0.00 N ATOM 650 CA GLU A 42 -12.027 -1.810 -32.289 1.00 0.00 C ATOM 651 C GLU A 42 -11.185 -0.999 -31.308 1.00 0.00 C ATOM 652 O GLU A 42 -10.083 -0.559 -31.635 1.00 0.00 O ATOM 653 CB GLU A 42 -12.860 -0.869 -33.162 1.00 0.00 C ATOM 654 CG GLU A 42 -13.617 0.184 -32.371 1.00 0.00 C ATOM 655 CD GLU A 42 -14.811 0.735 -33.126 1.00 0.00 C ATOM 656 OE1 GLU A 42 -15.005 0.344 -34.297 1.00 0.00 O ATOM 657 OE2 GLU A 42 -15.552 1.556 -32.546 1.00 0.00 O ATOM 0 H GLU A 42 -13.886 -2.638 -31.786 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.357 -2.387 -32.926 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.203 -0.372 -33.876 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.572 -1.458 -33.740 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.955 -0.248 -31.429 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.941 1.002 -32.122 1.00 0.00 H new ATOM 664 N ALA A 43 -11.713 -0.805 -30.104 1.00 0.00 N ATOM 665 CA ALA A 43 -11.011 -0.048 -29.075 1.00 0.00 C ATOM 666 C ALA A 43 -9.991 -0.921 -28.352 1.00 0.00 C ATOM 667 O ALA A 43 -8.920 -0.452 -27.965 1.00 0.00 O ATOM 668 CB ALA A 43 -12.003 0.539 -28.082 1.00 0.00 C ATOM 0 H ALA A 43 -12.625 -1.162 -29.817 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.475 0.767 -29.561 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.465 1.102 -27.319 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.691 1.203 -28.605 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.565 -0.267 -27.610 1.00 0.00 H new ATOM 674 N LEU A 44 -10.330 -2.193 -28.172 1.00 0.00 N ATOM 675 CA LEU A 44 -9.443 -3.133 -27.494 1.00 0.00 C ATOM 676 C LEU A 44 -8.283 -3.536 -28.399 1.00 0.00 C ATOM 677 O LEU A 44 -7.215 -3.920 -27.922 1.00 0.00 O ATOM 678 CB LEU A 44 -10.221 -4.376 -27.059 1.00 0.00 C ATOM 679 CG LEU A 44 -11.421 -4.130 -26.144 1.00 0.00 C ATOM 680 CD1 LEU A 44 -12.465 -5.221 -26.329 1.00 0.00 C ATOM 681 CD2 LEU A 44 -10.977 -4.054 -24.691 1.00 0.00 C ATOM 0 H LEU A 44 -11.212 -2.597 -28.486 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.037 -2.639 -26.611 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.571 -4.892 -27.953 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.533 -5.051 -26.549 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.871 -3.175 -26.415 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.312 -5.030 -25.670 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.805 -5.227 -27.365 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -12.027 -6.189 -26.085 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.844 -3.878 -24.054 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.502 -4.993 -24.406 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.267 -3.236 -24.570 1.00 0.00 H new ATOM 693 N ASP A 45 -8.499 -3.443 -29.706 1.00 0.00 N ATOM 694 CA ASP A 45 -7.470 -3.794 -30.679 1.00 0.00 C ATOM 695 C ASP A 45 -6.258 -2.878 -30.543 1.00 0.00 C ATOM 696 O ASP A 45 -5.145 -3.246 -30.917 1.00 0.00 O ATOM 697 CB ASP A 45 -8.031 -3.712 -32.099 1.00 0.00 C ATOM 698 CG ASP A 45 -7.027 -4.155 -33.145 1.00 0.00 C ATOM 699 OD1 ASP A 45 -6.329 -5.163 -32.907 1.00 0.00 O ATOM 700 OD2 ASP A 45 -6.941 -3.495 -34.201 1.00 0.00 O ATOM 0 H ASP A 45 -9.378 -3.127 -30.117 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.152 -4.818 -30.481 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.924 -4.334 -32.170 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.339 -2.687 -32.306 1.00 0.00 H new ATOM 705 N ARG A 46 -6.484 -1.683 -30.007 1.00 0.00 N ATOM 706 CA ARG A 46 -5.411 -0.713 -29.824 1.00 0.00 C ATOM 707 C ARG A 46 -4.420 -1.191 -28.767 1.00 0.00 C ATOM 708 O ARG A 46 -3.240 -1.401 -29.056 1.00 0.00 O ATOM 709 CB ARG A 46 -5.986 0.646 -29.421 1.00 0.00 C ATOM 710 CG ARG A 46 -6.456 1.482 -30.600 1.00 0.00 C ATOM 711 CD ARG A 46 -5.283 2.002 -31.416 1.00 0.00 C ATOM 712 NE ARG A 46 -5.641 3.183 -32.198 1.00 0.00 N ATOM 713 CZ ARG A 46 -4.753 3.944 -32.828 1.00 0.00 C ATOM 714 NH1 ARG A 46 -3.462 3.650 -32.768 1.00 0.00 N ATOM 715 NH2 ARG A 46 -5.157 5.003 -33.519 1.00 0.00 N ATOM 0 H ARG A 46 -7.400 -1.363 -29.692 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.883 -0.610 -30.772 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.823 0.490 -28.741 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.228 1.203 -28.871 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.106 0.882 -31.237 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.050 2.321 -30.239 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.457 2.246 -30.748 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.931 1.217 -32.085 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.627 3.437 -32.264 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.148 2.838 -32.237 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.782 4.236 -33.253 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.150 5.233 -33.566 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.475 5.587 -34.003 1.00 0.00 H new ATOM 729 N LEU A 47 -4.905 -1.362 -27.543 1.00 0.00 N ATOM 730 CA LEU A 47 -4.062 -1.816 -26.442 1.00 0.00 C ATOM 731 C LEU A 47 -3.391 -3.143 -26.781 1.00 0.00 C ATOM 732 O LEU A 47 -2.252 -3.394 -26.385 1.00 0.00 O ATOM 733 CB LEU A 47 -4.892 -1.962 -25.165 1.00 0.00 C ATOM 734 CG LEU A 47 -5.710 -3.248 -25.040 1.00 0.00 C ATOM 735 CD1 LEU A 47 -4.891 -4.338 -24.364 1.00 0.00 C ATOM 736 CD2 LEU A 47 -6.996 -2.989 -24.269 1.00 0.00 C ATOM 0 H LEU A 47 -5.878 -1.193 -27.287 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.285 -1.069 -26.280 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.220 -1.898 -24.309 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.573 -1.114 -25.099 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.973 -3.588 -26.042 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.489 -5.246 -24.284 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.999 -4.543 -24.956 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.598 -4.008 -23.368 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.565 -3.915 -24.190 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.754 -2.625 -23.270 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.591 -2.241 -24.794 1.00 0.00 H new ATOM 748 N LEU A 48 -4.103 -3.989 -27.517 1.00 0.00 N ATOM 749 CA LEU A 48 -3.576 -5.290 -27.912 1.00 0.00 C ATOM 750 C LEU A 48 -2.382 -5.133 -28.849 1.00 0.00 C ATOM 751 O LEU A 48 -1.296 -5.650 -28.581 1.00 0.00 O ATOM 752 CB LEU A 48 -4.666 -6.119 -28.593 1.00 0.00 C ATOM 753 CG LEU A 48 -5.853 -6.517 -27.715 1.00 0.00 C ATOM 754 CD1 LEU A 48 -7.087 -6.768 -28.567 1.00 0.00 C ATOM 755 CD2 LEU A 48 -5.515 -7.748 -26.887 1.00 0.00 C ATOM 0 H LEU A 48 -5.047 -3.797 -27.852 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.243 -5.807 -27.012 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.044 -5.555 -29.446 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.211 -7.027 -28.987 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.068 -5.694 -27.034 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.921 -7.050 -27.925 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.341 -5.861 -29.115 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.884 -7.573 -29.273 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.371 -8.017 -26.268 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.272 -8.578 -27.551 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.659 -7.533 -26.248 1.00 0.00 H new ATOM 767 N LEU A 49 -2.589 -4.414 -29.947 1.00 0.00 N ATOM 768 CA LEU A 49 -1.529 -4.186 -30.923 1.00 0.00 C ATOM 769 C LEU A 49 -0.305 -3.560 -30.261 1.00 0.00 C ATOM 770 O LEU A 49 0.831 -3.926 -30.563 1.00 0.00 O ATOM 771 CB LEU A 49 -2.032 -3.281 -32.049 1.00 0.00 C ATOM 772 CG LEU A 49 -0.968 -2.755 -33.013 1.00 0.00 C ATOM 773 CD1 LEU A 49 -0.383 -3.892 -33.836 1.00 0.00 C ATOM 774 CD2 LEU A 49 -1.554 -1.684 -33.921 1.00 0.00 C ATOM 0 H LEU A 49 -3.481 -3.979 -30.184 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.240 -5.150 -31.341 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.776 -3.831 -32.625 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.542 -2.428 -31.602 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.165 -2.308 -32.427 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.372 -3.498 -34.516 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.074 -4.625 -33.171 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.176 -4.370 -34.412 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.783 -1.321 -34.600 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.376 -2.106 -34.498 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.923 -0.856 -33.316 1.00 0.00 H new ATOM 786 N ASP A 50 -0.545 -2.618 -29.357 1.00 0.00 N ATOM 787 CA ASP A 50 0.538 -1.943 -28.649 1.00 0.00 C ATOM 788 C ASP A 50 1.352 -2.938 -27.828 1.00 0.00 C ATOM 789 O ASP A 50 2.575 -3.007 -27.952 1.00 0.00 O ATOM 790 CB ASP A 50 -0.022 -0.849 -27.740 1.00 0.00 C ATOM 791 CG ASP A 50 -0.224 0.464 -28.471 1.00 0.00 C ATOM 792 OD1 ASP A 50 -0.958 0.474 -29.481 1.00 0.00 O ATOM 793 OD2 ASP A 50 0.352 1.482 -28.033 1.00 0.00 O ATOM 0 H ASP A 50 -1.480 -2.304 -29.096 1.00 0.00 H new ATOM 0 HA ASP A 50 1.195 -1.487 -29.389 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.973 -1.179 -27.323 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.657 -0.694 -26.902 1.00 0.00 H new ATOM 798 N VAL A 51 0.666 -3.705 -26.987 1.00 0.00 N ATOM 799 CA VAL A 51 1.325 -4.696 -26.144 1.00 0.00 C ATOM 800 C VAL A 51 2.188 -5.638 -26.976 1.00 0.00 C ATOM 801 O VAL A 51 3.372 -5.824 -26.693 1.00 0.00 O ATOM 802 CB VAL A 51 0.301 -5.525 -25.347 1.00 0.00 C ATOM 803 CG1 VAL A 51 1.001 -6.615 -24.550 1.00 0.00 C ATOM 804 CG2 VAL A 51 -0.515 -4.625 -24.431 1.00 0.00 C ATOM 0 H VAL A 51 -0.346 -3.659 -26.871 1.00 0.00 H new ATOM 0 HA VAL A 51 1.959 -4.148 -25.447 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.380 -6.003 -26.051 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.261 -7.190 -23.993 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.538 -7.276 -25.231 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.706 -6.161 -23.854 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.234 -5.227 -23.875 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.150 -4.118 -23.732 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.047 -3.884 -25.028 1.00 0.00 H new ATOM 814 N ARG A 52 1.588 -6.229 -28.004 1.00 0.00 N ATOM 815 CA ARG A 52 2.301 -7.153 -28.877 1.00 0.00 C ATOM 816 C ARG A 52 3.398 -6.430 -29.653 1.00 0.00 C ATOM 817 O ARG A 52 4.398 -7.033 -30.041 1.00 0.00 O ATOM 818 CB ARG A 52 1.329 -7.822 -29.850 1.00 0.00 C ATOM 819 CG ARG A 52 0.702 -6.858 -30.844 1.00 0.00 C ATOM 820 CD ARG A 52 -0.254 -7.573 -31.786 1.00 0.00 C ATOM 821 NE ARG A 52 0.064 -7.314 -33.188 1.00 0.00 N ATOM 822 CZ ARG A 52 -0.728 -7.659 -34.197 1.00 0.00 C ATOM 823 NH1 ARG A 52 -1.879 -8.273 -33.960 1.00 0.00 N ATOM 824 NH2 ARG A 52 -0.370 -7.389 -35.445 1.00 0.00 N ATOM 0 H ARG A 52 0.609 -6.084 -28.253 1.00 0.00 H new ATOM 0 HA ARG A 52 2.764 -7.918 -28.254 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.856 -8.603 -30.398 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.537 -8.310 -29.281 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.167 -6.076 -30.306 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.486 -6.369 -31.422 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.214 -8.646 -31.597 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.275 -7.251 -31.580 1.00 0.00 H new ATOM 0 HE ARG A 52 0.942 -6.842 -33.404 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.158 -8.481 -33.001 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.486 -8.537 -34.736 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.514 -6.916 -35.631 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.979 -7.654 -36.219 1.00 0.00 H new ATOM 838 N ALA A 53 3.202 -5.135 -29.876 1.00 0.00 N ATOM 839 CA ALA A 53 4.175 -4.330 -30.604 1.00 0.00 C ATOM 840 C ALA A 53 5.388 -4.015 -29.735 1.00 0.00 C ATOM 841 O ALA A 53 6.404 -3.524 -30.227 1.00 0.00 O ATOM 842 CB ALA A 53 3.530 -3.043 -31.099 1.00 0.00 C ATOM 0 H ALA A 53 2.378 -4.621 -29.563 1.00 0.00 H new ATOM 0 HA ALA A 53 4.517 -4.907 -31.463 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.268 -2.451 -31.641 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.700 -3.284 -31.763 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.160 -2.471 -30.248 1.00 0.00 H new ATOM 848 N ARG A 54 5.274 -4.301 -28.442 1.00 0.00 N ATOM 849 CA ARG A 54 6.361 -4.046 -27.505 1.00 0.00 C ATOM 850 C ARG A 54 6.660 -2.553 -27.412 1.00 0.00 C ATOM 851 O ARG A 54 7.810 -2.131 -27.537 1.00 0.00 O ATOM 852 CB ARG A 54 7.620 -4.803 -27.933 1.00 0.00 C ATOM 853 CG ARG A 54 7.355 -6.243 -28.342 1.00 0.00 C ATOM 854 CD ARG A 54 8.624 -7.079 -28.292 1.00 0.00 C ATOM 855 NE ARG A 54 8.458 -8.366 -28.961 1.00 0.00 N ATOM 856 CZ ARG A 54 8.406 -8.507 -30.281 1.00 0.00 C ATOM 857 NH1 ARG A 54 8.505 -7.446 -31.068 1.00 0.00 N ATOM 858 NH2 ARG A 54 8.253 -9.712 -30.815 1.00 0.00 N ATOM 0 H ARG A 54 4.440 -4.709 -28.020 1.00 0.00 H new ATOM 0 HA ARG A 54 6.049 -4.399 -26.522 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.084 -4.277 -28.767 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.336 -4.793 -27.112 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.605 -6.678 -27.681 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.943 -6.266 -29.351 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.439 -6.529 -28.762 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.908 -7.245 -27.253 1.00 0.00 H new ATOM 0 HE ARG A 54 8.378 -9.203 -28.383 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.621 -6.518 -30.661 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.465 -7.557 -32.081 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.175 -10.531 -30.212 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.213 -9.819 -31.829 1.00 0.00 H new ATOM 872 N ARG A 55 5.617 -1.758 -27.191 1.00 0.00 N ATOM 873 CA ARG A 55 5.768 -0.312 -27.083 1.00 0.00 C ATOM 874 C ARG A 55 4.975 0.229 -25.897 1.00 0.00 C ATOM 875 O ARG A 55 4.574 1.393 -25.884 1.00 0.00 O ATOM 876 CB ARG A 55 5.305 0.368 -28.373 1.00 0.00 C ATOM 877 CG ARG A 55 6.344 0.342 -29.481 1.00 0.00 C ATOM 878 CD ARG A 55 7.362 1.460 -29.317 1.00 0.00 C ATOM 879 NE ARG A 55 6.811 2.761 -29.689 1.00 0.00 N ATOM 880 CZ ARG A 55 6.573 3.127 -30.944 1.00 0.00 C ATOM 881 NH1 ARG A 55 6.835 2.294 -31.942 1.00 0.00 N ATOM 882 NH2 ARG A 55 6.070 4.327 -31.202 1.00 0.00 N ATOM 0 H ARG A 55 4.659 -2.091 -27.083 1.00 0.00 H new ATOM 0 HA ARG A 55 6.824 -0.092 -26.923 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.397 -0.121 -28.726 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.045 1.404 -28.155 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.856 -0.620 -29.479 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.849 0.438 -30.447 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.701 1.493 -28.282 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.236 1.247 -29.932 1.00 0.00 H new ATOM 0 HE ARG A 55 6.597 3.425 -28.945 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.220 1.370 -31.747 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.651 2.577 -32.904 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.866 4.970 -30.437 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.888 4.607 -32.166 1.00 0.00 H new ATOM 896 N VAL A 56 4.754 -0.623 -24.901 1.00 0.00 N ATOM 897 CA VAL A 56 4.010 -0.230 -23.710 1.00 0.00 C ATOM 898 C VAL A 56 4.952 0.176 -22.583 1.00 0.00 C ATOM 899 O VAL A 56 6.044 -0.377 -22.442 1.00 0.00 O ATOM 900 CB VAL A 56 3.098 -1.369 -23.217 1.00 0.00 C ATOM 901 CG1 VAL A 56 3.925 -2.586 -22.829 1.00 0.00 C ATOM 902 CG2 VAL A 56 2.245 -0.900 -22.048 1.00 0.00 C ATOM 0 H VAL A 56 5.079 -1.590 -24.895 1.00 0.00 H new ATOM 0 HA VAL A 56 3.393 0.624 -23.989 1.00 0.00 H new ATOM 0 HB VAL A 56 2.433 -1.656 -24.031 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.263 -3.380 -22.483 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.488 -2.934 -23.695 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.616 -2.317 -22.031 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.607 -1.717 -21.712 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.892 -0.585 -21.229 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.625 -0.061 -22.364 1.00 0.00 H new ATOM 912 N ASP A 57 4.524 1.145 -21.781 1.00 0.00 N ATOM 913 CA ASP A 57 5.329 1.625 -20.664 1.00 0.00 C ATOM 914 C ASP A 57 4.622 1.370 -19.336 1.00 0.00 C ATOM 915 O ASP A 57 3.517 0.830 -19.305 1.00 0.00 O ATOM 916 CB ASP A 57 5.621 3.118 -20.822 1.00 0.00 C ATOM 917 CG ASP A 57 4.367 3.965 -20.731 1.00 0.00 C ATOM 918 OD1 ASP A 57 3.847 4.137 -19.608 1.00 0.00 O ATOM 919 OD2 ASP A 57 3.907 4.458 -21.781 1.00 0.00 O ATOM 0 H ASP A 57 3.624 1.614 -21.884 1.00 0.00 H new ATOM 0 HA ASP A 57 6.271 1.077 -20.665 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.325 3.431 -20.051 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.104 3.291 -21.784 1.00 0.00 H new ATOM 924 N GLN A 58 5.269 1.761 -18.243 1.00 0.00 N ATOM 925 CA GLN A 58 4.702 1.573 -16.912 1.00 0.00 C ATOM 926 C GLN A 58 3.959 2.824 -16.455 1.00 0.00 C ATOM 927 O GLN A 58 4.334 3.944 -16.803 1.00 0.00 O ATOM 928 CB GLN A 58 5.805 1.227 -15.910 1.00 0.00 C ATOM 929 CG GLN A 58 6.832 2.332 -15.729 1.00 0.00 C ATOM 930 CD GLN A 58 6.415 3.351 -14.687 1.00 0.00 C ATOM 931 OE1 GLN A 58 6.289 4.541 -14.980 1.00 0.00 O ATOM 932 NE2 GLN A 58 6.198 2.890 -13.461 1.00 0.00 N ATOM 0 H GLN A 58 6.185 2.209 -18.252 1.00 0.00 H new ATOM 0 HA GLN A 58 3.992 0.748 -16.960 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.350 1.004 -14.945 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.313 0.321 -16.240 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.786 1.892 -15.440 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.989 2.836 -16.682 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.314 1.896 -13.262 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.915 3.529 -12.718 1.00 0.00 H new ATOM 941 N PHE A 59 2.901 2.626 -15.675 1.00 0.00 N ATOM 942 CA PHE A 59 2.104 3.738 -15.172 1.00 0.00 C ATOM 943 C PHE A 59 1.088 3.255 -14.140 1.00 0.00 C ATOM 944 O PHE A 59 0.749 2.073 -14.094 1.00 0.00 O ATOM 945 CB PHE A 59 1.382 4.439 -16.325 1.00 0.00 C ATOM 946 CG PHE A 59 0.933 5.833 -15.992 1.00 0.00 C ATOM 947 CD1 PHE A 59 1.844 6.876 -15.948 1.00 0.00 C ATOM 948 CD2 PHE A 59 -0.400 6.100 -15.723 1.00 0.00 C ATOM 949 CE1 PHE A 59 1.433 8.160 -15.641 1.00 0.00 C ATOM 950 CE2 PHE A 59 -0.816 7.382 -15.416 1.00 0.00 C ATOM 951 CZ PHE A 59 0.102 8.413 -15.376 1.00 0.00 C ATOM 0 H PHE A 59 2.576 1.706 -15.378 1.00 0.00 H new ATOM 0 HA PHE A 59 2.778 4.447 -14.690 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.045 4.476 -17.189 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.514 3.846 -16.614 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.886 6.684 -16.156 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.122 5.297 -15.754 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.153 8.965 -15.609 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.858 7.577 -15.208 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.221 9.416 -15.138 1.00 0.00 H new ATOM 961 N GLN A 60 0.609 4.179 -13.313 1.00 0.00 N ATOM 962 CA GLN A 60 -0.366 3.848 -12.281 1.00 0.00 C ATOM 963 C GLN A 60 -1.536 4.825 -12.304 1.00 0.00 C ATOM 964 O GLN A 60 -1.354 6.021 -12.534 1.00 0.00 O ATOM 965 CB GLN A 60 0.296 3.859 -10.902 1.00 0.00 C ATOM 966 CG GLN A 60 1.139 5.098 -10.641 1.00 0.00 C ATOM 967 CD GLN A 60 1.281 5.407 -9.164 1.00 0.00 C ATOM 968 OE1 GLN A 60 2.376 5.331 -8.605 1.00 0.00 O ATOM 969 NE2 GLN A 60 0.172 5.757 -8.523 1.00 0.00 N ATOM 0 H GLN A 60 0.880 5.162 -13.338 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.748 2.848 -12.485 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.477 3.788 -10.137 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.925 2.974 -10.803 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.129 4.957 -11.076 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.688 5.953 -11.145 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.714 5.807 -9.026 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.206 5.976 -7.527 1.00 0.00 H new ATOM 978 N ILE A 61 -2.737 4.309 -12.065 1.00 0.00 N ATOM 979 CA ILE A 61 -3.937 5.136 -12.058 1.00 0.00 C ATOM 980 C ILE A 61 -4.120 5.827 -10.711 1.00 0.00 C ATOM 981 O ILE A 61 -4.274 7.046 -10.643 1.00 0.00 O ATOM 982 CB ILE A 61 -5.195 4.306 -12.371 1.00 0.00 C ATOM 983 CG1 ILE A 61 -5.048 3.607 -13.724 1.00 0.00 C ATOM 984 CG2 ILE A 61 -6.431 5.193 -12.359 1.00 0.00 C ATOM 985 CD1 ILE A 61 -6.103 2.554 -13.978 1.00 0.00 C ATOM 0 H ILE A 61 -2.905 3.321 -11.874 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.806 5.889 -12.836 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.311 3.544 -11.600 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.094 4.354 -14.517 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.063 3.144 -13.779 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.312 4.592 -12.582 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.542 5.649 -11.375 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.325 5.975 -13.111 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.937 2.101 -14.955 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.044 1.786 -13.207 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.090 3.015 -13.956 1.00 0.00 H new ATOM 997 N ASN A 62 -4.101 5.040 -9.640 1.00 0.00 N ATOM 998 CA ASN A 62 -4.263 5.576 -8.294 1.00 0.00 C ATOM 999 C ASN A 62 -3.565 4.689 -7.267 1.00 0.00 C ATOM 1000 O ASN A 62 -2.958 3.678 -7.616 1.00 0.00 O ATOM 1001 CB ASN A 62 -5.749 5.703 -7.949 1.00 0.00 C ATOM 1002 CG ASN A 62 -6.395 6.906 -8.609 1.00 0.00 C ATOM 1003 OD1 ASN A 62 -7.378 6.774 -9.338 1.00 0.00 O ATOM 1004 ND2 ASN A 62 -5.843 8.087 -8.357 1.00 0.00 N ATOM 0 H ASN A 62 -3.975 4.029 -9.679 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.804 6.564 -8.266 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.270 4.798 -8.260 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.863 5.780 -6.868 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.234 8.932 -8.774 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.028 8.149 -7.746 1.00 0.00 H new ATOM 1011 N ALA A 63 -3.657 5.077 -5.999 1.00 0.00 N ATOM 1012 CA ALA A 63 -3.037 4.316 -4.921 1.00 0.00 C ATOM 1013 C ALA A 63 -4.089 3.742 -3.979 1.00 0.00 C ATOM 1014 O ALA A 63 -3.892 3.701 -2.764 1.00 0.00 O ATOM 1015 CB ALA A 63 -2.058 5.192 -4.153 1.00 0.00 C ATOM 0 H ALA A 63 -4.155 5.913 -5.693 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.491 3.483 -5.364 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.602 4.611 -3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.281 5.549 -4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.588 6.044 -3.728 1.00 0.00 H new ATOM 1021 N SER A 64 -5.207 3.300 -4.546 1.00 0.00 N ATOM 1022 CA SER A 64 -6.293 2.733 -3.755 1.00 0.00 C ATOM 1023 C SER A 64 -6.418 1.232 -4.001 1.00 0.00 C ATOM 1024 O SER A 64 -6.889 0.488 -3.142 1.00 0.00 O ATOM 1025 CB SER A 64 -7.614 3.428 -4.090 1.00 0.00 C ATOM 1026 OG SER A 64 -7.555 4.810 -3.785 1.00 0.00 O ATOM 0 H SER A 64 -5.384 3.324 -5.550 1.00 0.00 H new ATOM 0 HA SER A 64 -6.064 2.893 -2.701 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.840 3.295 -5.148 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.425 2.963 -3.530 1.00 0.00 H new ATOM 0 HG SER A 64 -8.411 5.231 -4.010 1.00 0.00 H new ATOM 1032 N ALA A 65 -5.992 0.796 -5.182 1.00 0.00 N ATOM 1033 CA ALA A 65 -6.053 -0.615 -5.542 1.00 0.00 C ATOM 1034 C ALA A 65 -4.670 -1.153 -5.894 1.00 0.00 C ATOM 1035 O ALA A 65 -3.673 -0.439 -5.796 1.00 0.00 O ATOM 1036 CB ALA A 65 -7.013 -0.822 -6.705 1.00 0.00 C ATOM 0 H ALA A 65 -5.601 1.400 -5.905 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.420 -1.169 -4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.049 -1.880 -6.963 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.009 -0.484 -6.419 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.669 -0.250 -7.567 1.00 0.00 H new ATOM 1042 N ALA A 66 -4.618 -2.417 -6.303 1.00 0.00 N ATOM 1043 CA ALA A 66 -3.358 -3.049 -6.670 1.00 0.00 C ATOM 1044 C ALA A 66 -2.594 -2.204 -7.684 1.00 0.00 C ATOM 1045 O ALA A 66 -3.191 -1.589 -8.567 1.00 0.00 O ATOM 1046 CB ALA A 66 -3.609 -4.444 -7.224 1.00 0.00 C ATOM 0 H ALA A 66 -5.434 -3.023 -6.388 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.746 -3.131 -5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.659 -4.905 -7.494 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.105 -5.052 -6.467 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.243 -4.376 -8.108 1.00 0.00 H new ATOM 1052 N GLN A 67 -1.272 -2.179 -7.551 1.00 0.00 N ATOM 1053 CA GLN A 67 -0.428 -1.407 -8.456 1.00 0.00 C ATOM 1054 C GLN A 67 0.517 -2.320 -9.230 1.00 0.00 C ATOM 1055 O GLN A 67 1.243 -3.121 -8.641 1.00 0.00 O ATOM 1056 CB GLN A 67 0.376 -0.366 -7.674 1.00 0.00 C ATOM 1057 CG GLN A 67 -0.489 0.663 -6.965 1.00 0.00 C ATOM 1058 CD GLN A 67 -0.854 1.833 -7.858 1.00 0.00 C ATOM 1059 OE1 GLN A 67 -1.664 1.700 -8.775 1.00 0.00 O ATOM 1060 NE2 GLN A 67 -0.255 2.989 -7.594 1.00 0.00 N ATOM 0 H GLN A 67 -0.762 -2.684 -6.826 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.075 -0.896 -9.169 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.996 -0.877 -6.937 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.051 0.148 -8.358 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.401 0.183 -6.610 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.039 1.033 -6.086 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.410 3.054 -6.824 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.460 3.811 -8.162 1.00 0.00 H new ATOM 1069 N ILE A 68 0.501 -2.195 -10.553 1.00 0.00 N ATOM 1070 CA ILE A 68 1.357 -3.008 -11.407 1.00 0.00 C ATOM 1071 C ILE A 68 2.345 -2.142 -12.180 1.00 0.00 C ATOM 1072 O ILE A 68 2.025 -1.021 -12.576 1.00 0.00 O ATOM 1073 CB ILE A 68 0.529 -3.839 -12.406 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -0.606 -4.565 -11.681 1.00 0.00 C ATOM 1075 CG2 ILE A 68 1.421 -4.833 -13.135 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -1.888 -3.764 -11.612 1.00 0.00 C ATOM 0 H ILE A 68 -0.096 -1.538 -11.056 1.00 0.00 H new ATOM 0 HA ILE A 68 1.906 -3.684 -10.751 1.00 0.00 H new ATOM 0 HB ILE A 68 0.092 -3.165 -13.143 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.804 -5.510 -12.187 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.283 -4.807 -10.668 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.822 -5.413 -13.837 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.197 -4.295 -13.679 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.884 -5.505 -12.412 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.649 -4.340 -11.085 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.706 -2.831 -11.080 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.234 -3.544 -12.622 1.00 0.00 H new ATOM 1088 N ILE A 69 3.546 -2.670 -12.392 1.00 0.00 N ATOM 1089 CA ILE A 69 4.580 -1.945 -13.120 1.00 0.00 C ATOM 1090 C ILE A 69 5.212 -2.822 -14.195 1.00 0.00 C ATOM 1091 O ILE A 69 5.387 -4.026 -14.007 1.00 0.00 O ATOM 1092 CB ILE A 69 5.684 -1.437 -12.174 1.00 0.00 C ATOM 1093 CG1 ILE A 69 5.087 -0.521 -11.103 1.00 0.00 C ATOM 1094 CG2 ILE A 69 6.763 -0.709 -12.961 1.00 0.00 C ATOM 1095 CD1 ILE A 69 4.576 -1.264 -9.889 1.00 0.00 C ATOM 0 H ILE A 69 3.827 -3.596 -12.070 1.00 0.00 H new ATOM 0 HA ILE A 69 4.094 -1.090 -13.590 1.00 0.00 H new ATOM 0 HB ILE A 69 6.140 -2.294 -11.679 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.844 0.197 -10.787 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.268 0.050 -11.540 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.536 -0.356 -12.278 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.205 -1.390 -13.688 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.323 0.142 -13.481 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.167 -0.552 -9.172 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.796 -1.963 -10.192 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.396 -1.814 -9.427 1.00 0.00 H new ATOM 1107 N VAL A 70 5.556 -2.210 -15.324 1.00 0.00 N ATOM 1108 CA VAL A 70 6.171 -2.934 -16.430 1.00 0.00 C ATOM 1109 C VAL A 70 7.685 -3.010 -16.262 1.00 0.00 C ATOM 1110 O VAL A 70 8.425 -2.210 -16.835 1.00 0.00 O ATOM 1111 CB VAL A 70 5.848 -2.273 -17.783 1.00 0.00 C ATOM 1112 CG1 VAL A 70 6.526 -3.023 -18.919 1.00 0.00 C ATOM 1113 CG2 VAL A 70 4.344 -2.209 -17.998 1.00 0.00 C ATOM 0 H VAL A 70 5.419 -1.214 -15.497 1.00 0.00 H new ATOM 0 HA VAL A 70 5.756 -3.942 -16.419 1.00 0.00 H new ATOM 0 HB VAL A 70 6.234 -1.254 -17.772 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.286 -2.541 -19.867 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.606 -3.012 -18.769 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.173 -4.054 -18.936 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.133 -1.739 -18.959 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.932 -3.218 -17.990 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.887 -1.624 -17.200 1.00 0.00 H new ATOM 1123 N THR A 71 8.140 -3.978 -15.473 1.00 0.00 N ATOM 1124 CA THR A 71 9.565 -4.159 -15.228 1.00 0.00 C ATOM 1125 C THR A 71 10.070 -5.456 -15.851 1.00 0.00 C ATOM 1126 O THR A 71 10.306 -6.440 -15.150 1.00 0.00 O ATOM 1127 CB THR A 71 9.880 -4.169 -13.721 1.00 0.00 C ATOM 1128 OG1 THR A 71 11.233 -4.586 -13.505 1.00 0.00 O ATOM 1129 CG2 THR A 71 8.933 -5.100 -12.977 1.00 0.00 C ATOM 0 H THR A 71 7.541 -4.649 -14.992 1.00 0.00 H new ATOM 0 HA THR A 71 10.075 -3.314 -15.692 1.00 0.00 H new ATOM 0 HB THR A 71 9.747 -3.157 -13.338 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.358 -5.489 -13.864 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.174 -5.091 -11.914 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.906 -4.764 -13.119 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.040 -6.113 -13.365 1.00 0.00 H new ATOM 1137 N ASP A 72 10.233 -5.450 -17.169 1.00 0.00 N ATOM 1138 CA ASP A 72 10.711 -6.626 -17.886 1.00 0.00 C ATOM 1139 C ASP A 72 11.999 -7.155 -17.263 1.00 0.00 C ATOM 1140 O ASP A 72 12.618 -6.489 -16.432 1.00 0.00 O ATOM 1141 CB ASP A 72 10.942 -6.292 -19.360 1.00 0.00 C ATOM 1142 CG ASP A 72 11.250 -7.523 -20.191 1.00 0.00 C ATOM 1143 OD1 ASP A 72 10.618 -8.573 -19.952 1.00 0.00 O ATOM 1144 OD2 ASP A 72 12.123 -7.436 -21.080 1.00 0.00 O ATOM 0 H ASP A 72 10.041 -4.643 -17.763 1.00 0.00 H new ATOM 0 HA ASP A 72 9.948 -7.401 -17.813 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.057 -5.799 -19.761 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.767 -5.584 -19.444 1.00 0.00 H new TER 1149 ASP A 72