USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 724 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 1 MET CE :methyl -120:sc= -0.0878 (180deg=-0.571) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0729 (180deg=-0.342) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00344 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.315 USER MOD Single : A 12 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.023) USER MOD Single : A 16 THR OG1 : rot -130:sc= -2.21! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN :FLIP amide:sc= 0.767 F(o=0,f=0.77) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.061) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.227 K(o=-0.23,f=-1.4!) USER MOD Single : A 34 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-3.7!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc=-0.00837 X(o=-0.0084,f=0) USER MOD Single : A 39 TYR OH : rot 105:sc= 0.0933 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.191 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 82:sc= -3.71 USER MOD Single : A 51 HIS : no HE2:sc= -6.75 K(o=-6.7,f=-12!) USER MOD Single : A 52 LYS NZ :NH3+ -156:sc= -0.0311 (180deg=-0.368) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 157:sc=-0.00201 (180deg=-0.596) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -135:sc= -0.309 (180deg=-1.31) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.825 -17.689 -2.071 1.00 33.67 N ATOM 2 CA MET A 1 27.166 -16.603 -2.851 1.00 33.32 C ATOM 3 C MET A 1 26.409 -15.678 -1.895 1.00 31.90 C ATOM 4 O MET A 1 26.021 -16.074 -0.813 1.00 31.49 O ATOM 5 CB MET A 1 26.186 -17.217 -3.852 1.00 34.12 C ATOM 6 CG MET A 1 25.214 -18.142 -3.117 1.00 34.25 C ATOM 7 SD MET A 1 23.656 -18.233 -4.034 1.00 34.74 S ATOM 8 CE MET A 1 23.014 -16.612 -3.551 1.00 33.81 C ATOM 0 H1 MET A 1 27.800 -18.573 -2.618 1.00 33.67 H new ATOM 0 H2 MET A 1 28.813 -17.428 -1.880 1.00 33.67 H new ATOM 0 H3 MET A 1 27.322 -17.824 -1.171 1.00 33.67 H new ATOM 0 HA MET A 1 27.922 -16.030 -3.389 1.00 33.32 H new ATOM 0 HB2 MET A 1 25.636 -16.430 -4.367 1.00 34.12 H new ATOM 0 HB3 MET A 1 26.730 -17.776 -4.613 1.00 34.12 H new ATOM 0 HG2 MET A 1 25.648 -19.137 -3.017 1.00 34.25 H new ATOM 0 HG3 MET A 1 25.033 -17.770 -2.109 1.00 34.25 H new ATOM 0 HE1 MET A 1 22.067 -16.737 -3.026 1.00 33.81 H new ATOM 0 HE2 MET A 1 23.730 -16.118 -2.895 1.00 33.81 H new ATOM 0 HE3 MET A 1 22.857 -16.003 -4.441 1.00 33.81 H new ATOM 20 N SER A 2 26.200 -14.447 -2.291 1.00 31.26 N ATOM 21 CA SER A 2 25.469 -13.486 -1.413 1.00 29.96 C ATOM 22 C SER A 2 24.125 -13.133 -2.051 1.00 29.64 C ATOM 23 O SER A 2 23.907 -13.364 -3.226 1.00 30.29 O ATOM 24 CB SER A 2 26.303 -12.216 -1.242 1.00 29.55 C ATOM 25 OG SER A 2 26.963 -11.921 -2.466 1.00 30.45 O ATOM 0 H SER A 2 26.505 -14.067 -3.187 1.00 31.26 H new ATOM 0 HA SER A 2 25.299 -13.942 -0.438 1.00 29.96 H new ATOM 0 HB2 SER A 2 25.663 -11.383 -0.950 1.00 29.55 H new ATOM 0 HB3 SER A 2 27.034 -12.351 -0.445 1.00 29.55 H new ATOM 0 HG SER A 2 27.498 -11.106 -2.361 1.00 30.45 H new ATOM 31 N LYS A 3 23.223 -12.576 -1.283 1.00 28.79 N ATOM 32 CA LYS A 3 21.888 -12.202 -1.835 1.00 28.62 C ATOM 33 C LYS A 3 21.785 -10.676 -1.933 1.00 27.54 C ATOM 34 O LYS A 3 20.869 -10.068 -1.409 1.00 26.86 O ATOM 35 CB LYS A 3 20.789 -12.740 -0.913 1.00 28.46 C ATOM 36 CG LYS A 3 19.468 -12.817 -1.682 1.00 29.21 C ATOM 37 CD LYS A 3 18.411 -13.501 -0.813 1.00 29.42 C ATOM 38 CE LYS A 3 17.934 -12.529 0.269 1.00 28.80 C ATOM 39 NZ LYS A 3 17.211 -13.286 1.331 1.00 28.93 N ATOM 0 H LYS A 3 23.355 -12.364 -0.294 1.00 28.79 H new ATOM 0 HA LYS A 3 21.767 -12.633 -2.829 1.00 28.62 H new ATOM 0 HB2 LYS A 3 21.063 -13.727 -0.541 1.00 28.46 H new ATOM 0 HB3 LYS A 3 20.679 -12.091 -0.044 1.00 28.46 H new ATOM 0 HG2 LYS A 3 19.136 -11.816 -1.957 1.00 29.21 H new ATOM 0 HG3 LYS A 3 19.607 -13.373 -2.609 1.00 29.21 H new ATOM 0 HD2 LYS A 3 17.569 -13.819 -1.428 1.00 29.42 H new ATOM 0 HD3 LYS A 3 18.827 -14.398 -0.354 1.00 29.42 H new ATOM 0 HE2 LYS A 3 18.785 -12.000 0.699 1.00 28.80 H new ATOM 0 HE3 LYS A 3 17.278 -11.776 -0.167 1.00 28.80 H new ATOM 0 HZ1 LYS A 3 16.886 -12.627 2.067 1.00 28.93 H new ATOM 0 HZ2 LYS A 3 16.391 -13.771 0.914 1.00 28.93 H new ATOM 0 HZ3 LYS A 3 17.851 -13.989 1.753 1.00 28.93 H new ATOM 53 N ARG A 4 22.722 -10.054 -2.606 1.00 27.53 N ATOM 54 CA ARG A 4 22.696 -8.566 -2.750 1.00 26.70 C ATOM 55 C ARG A 4 22.822 -7.917 -1.368 1.00 25.06 C ATOM 56 O ARG A 4 22.496 -8.514 -0.360 1.00 24.57 O ATOM 57 CB ARG A 4 21.378 -8.131 -3.409 1.00 26.88 C ATOM 58 CG ARG A 4 21.655 -7.069 -4.475 1.00 27.75 C ATOM 59 CD ARG A 4 20.477 -7.005 -5.449 1.00 28.55 C ATOM 60 NE ARG A 4 20.848 -6.166 -6.631 1.00 29.44 N ATOM 61 CZ ARG A 4 20.131 -6.180 -7.738 1.00 30.58 C ATOM 62 NH1 ARG A 4 19.061 -6.934 -7.854 1.00 31.02 N ATOM 63 NH2 ARG A 4 20.491 -5.427 -8.741 1.00 31.45 N ATOM 0 H ARG A 4 23.508 -10.516 -3.064 1.00 27.53 H new ATOM 0 HA ARG A 4 23.530 -8.249 -3.376 1.00 26.70 H new ATOM 0 HB2 ARG A 4 20.885 -8.992 -3.860 1.00 26.88 H new ATOM 0 HB3 ARG A 4 20.698 -7.734 -2.655 1.00 26.88 H new ATOM 0 HG2 ARG A 4 21.805 -6.097 -4.005 1.00 27.75 H new ATOM 0 HG3 ARG A 4 22.573 -7.308 -5.012 1.00 27.75 H new ATOM 0 HD2 ARG A 4 20.206 -8.009 -5.774 1.00 28.55 H new ATOM 0 HD3 ARG A 4 19.603 -6.584 -4.952 1.00 28.55 H new ATOM 0 HE ARG A 4 21.674 -5.570 -6.580 1.00 29.44 H new ATOM 0 HH11 ARG A 4 18.768 -7.526 -7.077 1.00 31.02 H new ATOM 0 HH12 ARG A 4 18.524 -6.927 -8.721 1.00 31.02 H new ATOM 0 HH21 ARG A 4 21.319 -4.836 -8.664 1.00 31.45 H new ATOM 0 HH22 ARG A 4 19.945 -5.429 -9.602 1.00 31.45 H new ATOM 77 N LYS A 5 23.295 -6.696 -1.318 1.00 24.36 N ATOM 78 CA LYS A 5 23.447 -5.999 -0.007 1.00 22.91 C ATOM 79 C LYS A 5 22.327 -4.969 0.155 1.00 21.69 C ATOM 80 O LYS A 5 22.092 -4.154 -0.717 1.00 22.12 O ATOM 81 CB LYS A 5 24.804 -5.292 0.040 1.00 23.16 C ATOM 82 CG LYS A 5 25.922 -6.326 -0.105 1.00 24.09 C ATOM 83 CD LYS A 5 27.245 -5.720 0.370 1.00 24.40 C ATOM 84 CE LYS A 5 28.329 -6.798 0.369 1.00 25.32 C ATOM 85 NZ LYS A 5 28.827 -7.001 -1.020 1.00 26.61 N ATOM 0 H LYS A 5 23.583 -6.152 -2.132 1.00 24.36 H new ATOM 0 HA LYS A 5 23.390 -6.727 0.802 1.00 22.91 H new ATOM 0 HB2 LYS A 5 24.870 -4.555 -0.760 1.00 23.16 H new ATOM 0 HB3 LYS A 5 24.913 -4.752 0.981 1.00 23.16 H new ATOM 0 HG2 LYS A 5 25.687 -7.215 0.480 1.00 24.09 H new ATOM 0 HG3 LYS A 5 26.007 -6.641 -1.145 1.00 24.09 H new ATOM 0 HD2 LYS A 5 27.535 -4.897 -0.283 1.00 24.40 H new ATOM 0 HD3 LYS A 5 27.129 -5.307 1.372 1.00 24.40 H new ATOM 0 HE2 LYS A 5 29.151 -6.503 1.022 1.00 25.32 H new ATOM 0 HE3 LYS A 5 27.928 -7.732 0.763 1.00 25.32 H new ATOM 0 HZ1 LYS A 5 29.564 -7.734 -1.021 1.00 26.61 H new ATOM 0 HZ2 LYS A 5 28.040 -7.301 -1.631 1.00 26.61 H new ATOM 0 HZ3 LYS A 5 29.225 -6.110 -1.380 1.00 26.61 H new ATOM 99 N ALA A 6 21.637 -5.001 1.268 1.00 20.32 N ATOM 100 CA ALA A 6 20.529 -4.027 1.496 1.00 19.21 C ATOM 101 C ALA A 6 21.113 -2.614 1.666 1.00 18.34 C ATOM 102 O ALA A 6 22.268 -2.476 2.020 1.00 18.22 O ATOM 103 CB ALA A 6 19.761 -4.417 2.762 1.00 18.09 C ATOM 0 H ALA A 6 21.795 -5.662 2.029 1.00 20.32 H new ATOM 0 HA ALA A 6 19.853 -4.039 0.641 1.00 19.21 H new ATOM 0 HB1 ALA A 6 18.952 -3.707 2.930 1.00 18.09 H new ATOM 0 HB2 ALA A 6 19.346 -5.418 2.642 1.00 18.09 H new ATOM 0 HB3 ALA A 6 20.438 -4.404 3.616 1.00 18.09 H new ATOM 109 N PRO A 7 20.309 -1.594 1.412 1.00 18.03 N ATOM 110 CA PRO A 7 20.770 -0.199 1.545 1.00 17.53 C ATOM 111 C PRO A 7 21.200 0.079 2.989 1.00 16.01 C ATOM 112 O PRO A 7 21.489 -0.829 3.746 1.00 15.47 O ATOM 113 CB PRO A 7 19.555 0.661 1.165 1.00 17.65 C ATOM 114 CG PRO A 7 18.390 -0.297 0.807 1.00 18.26 C ATOM 115 CD PRO A 7 18.898 -1.736 0.979 1.00 18.51 C ATOM 0 HA PRO A 7 21.631 0.015 0.912 1.00 17.53 H new ATOM 0 HB2 PRO A 7 19.274 1.312 1.993 1.00 17.65 H new ATOM 0 HB3 PRO A 7 19.793 1.306 0.319 1.00 17.65 H new ATOM 0 HG2 PRO A 7 17.532 -0.114 1.454 1.00 18.26 H new ATOM 0 HG3 PRO A 7 18.058 -0.129 -0.217 1.00 18.26 H new ATOM 0 HD2 PRO A 7 18.310 -2.276 1.721 1.00 18.51 H new ATOM 0 HD3 PRO A 7 18.826 -2.295 0.046 1.00 18.51 H new ATOM 123 N GLN A 8 21.244 1.330 3.372 1.00 15.63 N ATOM 124 CA GLN A 8 21.654 1.680 4.764 1.00 14.50 C ATOM 125 C GLN A 8 20.555 1.248 5.739 1.00 13.01 C ATOM 126 O GLN A 8 19.669 0.489 5.392 1.00 12.91 O ATOM 127 CB GLN A 8 21.873 3.199 4.862 1.00 14.92 C ATOM 128 CG GLN A 8 23.337 3.495 5.200 1.00 15.47 C ATOM 129 CD GLN A 8 24.137 3.662 3.907 1.00 16.77 C ATOM 130 OE1 GLN A 8 24.186 4.738 3.345 1.00 17.54 O ATOM 131 NE2 GLN A 8 24.768 2.635 3.407 1.00 17.28 N ATOM 0 H GLN A 8 21.013 2.126 2.778 1.00 15.63 H new ATOM 0 HA GLN A 8 22.581 1.166 5.017 1.00 14.50 H new ATOM 0 HB2 GLN A 8 21.605 3.675 3.919 1.00 14.92 H new ATOM 0 HB3 GLN A 8 21.222 3.620 5.628 1.00 14.92 H new ATOM 0 HG2 GLN A 8 23.406 4.401 5.802 1.00 15.47 H new ATOM 0 HG3 GLN A 8 23.755 2.684 5.796 1.00 15.47 H new ATOM 0 HE21 GLN A 8 24.727 1.732 3.879 1.00 17.28 H new ATOM 0 HE22 GLN A 8 25.303 2.736 2.544 1.00 17.28 H new ATOM 140 N GLU A 9 20.611 1.725 6.957 1.00 12.16 N ATOM 141 CA GLU A 9 19.575 1.347 7.964 1.00 10.90 C ATOM 142 C GLU A 9 18.506 2.438 8.033 1.00 10.15 C ATOM 143 O GLU A 9 18.657 3.505 7.467 1.00 10.98 O ATOM 144 CB GLU A 9 20.234 1.191 9.337 1.00 10.95 C ATOM 145 CG GLU A 9 21.302 0.098 9.270 1.00 11.86 C ATOM 146 CD GLU A 9 20.688 -1.241 9.683 1.00 11.97 C ATOM 147 OE1 GLU A 9 19.737 -1.658 9.042 1.00 12.20 O ATOM 148 OE2 GLU A 9 21.179 -1.827 10.635 1.00 12.24 O ATOM 0 H GLU A 9 21.332 2.361 7.297 1.00 12.16 H new ATOM 0 HA GLU A 9 19.112 0.404 7.672 1.00 10.90 H new ATOM 0 HB2 GLU A 9 20.683 2.135 9.646 1.00 10.95 H new ATOM 0 HB3 GLU A 9 19.484 0.936 10.085 1.00 10.95 H new ATOM 0 HG2 GLU A 9 21.704 0.029 8.259 1.00 11.86 H new ATOM 0 HG3 GLU A 9 22.134 0.347 9.928 1.00 11.86 H new ATOM 155 N THR A 10 17.425 2.176 8.725 1.00 8.93 N ATOM 156 CA THR A 10 16.336 3.190 8.839 1.00 8.50 C ATOM 157 C THR A 10 15.477 2.879 10.066 1.00 6.84 C ATOM 158 O THR A 10 15.613 1.839 10.681 1.00 6.33 O ATOM 159 CB THR A 10 15.463 3.144 7.582 1.00 9.29 C ATOM 160 OG1 THR A 10 14.347 4.008 7.751 1.00 9.29 O ATOM 161 CG2 THR A 10 14.973 1.714 7.348 1.00 9.44 C ATOM 0 H THR A 10 17.251 1.300 9.217 1.00 8.93 H new ATOM 0 HA THR A 10 16.773 4.183 8.943 1.00 8.50 H new ATOM 0 HB THR A 10 16.048 3.469 6.722 1.00 9.29 H new ATOM 0 HG1 THR A 10 13.788 3.981 6.947 1.00 9.29 H new ATOM 0 HG21 THR A 10 14.352 1.684 6.453 1.00 9.44 H new ATOM 0 HG22 THR A 10 15.830 1.053 7.218 1.00 9.44 H new ATOM 0 HG23 THR A 10 14.388 1.385 8.207 1.00 9.44 H new ATOM 169 N LEU A 11 14.591 3.776 10.424 1.00 6.69 N ATOM 170 CA LEU A 11 13.716 3.542 11.612 1.00 5.83 C ATOM 171 C LEU A 11 12.849 2.304 11.369 1.00 4.57 C ATOM 172 O LEU A 11 13.089 1.250 11.928 1.00 4.78 O ATOM 173 CB LEU A 11 12.818 4.761 11.834 1.00 6.97 C ATOM 174 CG LEU A 11 13.519 5.748 12.768 1.00 8.36 C ATOM 175 CD1 LEU A 11 14.561 6.545 11.982 1.00 9.56 C ATOM 176 CD2 LEU A 11 12.487 6.708 13.362 1.00 9.42 C ATOM 0 H LEU A 11 14.437 4.662 9.943 1.00 6.69 H new ATOM 0 HA LEU A 11 14.335 3.384 12.495 1.00 5.83 H new ATOM 0 HB2 LEU A 11 12.596 5.241 10.881 1.00 6.97 H new ATOM 0 HB3 LEU A 11 11.866 4.451 12.264 1.00 6.97 H new ATOM 0 HG LEU A 11 14.012 5.199 13.571 1.00 8.36 H new ATOM 0 HD11 LEU A 11 15.060 7.248 12.649 1.00 9.56 H new ATOM 0 HD12 LEU A 11 15.297 5.862 11.558 1.00 9.56 H new ATOM 0 HD13 LEU A 11 14.069 7.093 11.178 1.00 9.56 H new ATOM 0 HD21 LEU A 11 12.986 7.412 14.028 1.00 9.42 H new ATOM 0 HD22 LEU A 11 11.994 7.255 12.558 1.00 9.42 H new ATOM 0 HD23 LEU A 11 11.744 6.142 13.924 1.00 9.42 H new ATOM 188 N ASN A 12 11.848 2.424 10.532 1.00 3.76 N ATOM 189 CA ASN A 12 10.967 1.258 10.241 1.00 2.87 C ATOM 190 C ASN A 12 10.460 1.354 8.791 1.00 2.19 C ATOM 191 O ASN A 12 11.103 0.860 7.883 1.00 2.21 O ATOM 192 CB ASN A 12 9.793 1.243 11.229 1.00 3.19 C ATOM 193 CG ASN A 12 10.061 0.217 12.335 1.00 3.94 C ATOM 194 OD1 ASN A 12 10.036 0.546 13.504 1.00 4.59 O ATOM 195 ND2 ASN A 12 10.318 -1.021 12.011 1.00 4.79 N ATOM 0 H ASN A 12 11.605 3.283 10.038 1.00 3.76 H new ATOM 0 HA ASN A 12 11.526 0.330 10.355 1.00 2.87 H new ATOM 0 HB2 ASN A 12 9.658 2.234 11.664 1.00 3.19 H new ATOM 0 HB3 ASN A 12 8.869 0.996 10.707 1.00 3.19 H new ATOM 0 HD21 ASN A 12 10.498 -1.712 12.739 1.00 4.79 H new ATOM 0 HD22 ASN A 12 10.339 -1.297 11.029 1.00 4.79 H new ATOM 202 N GLY A 13 9.324 1.985 8.553 1.00 2.05 N ATOM 203 CA GLY A 13 8.805 2.104 7.151 1.00 1.93 C ATOM 204 C GLY A 13 8.748 0.724 6.484 1.00 1.70 C ATOM 205 O GLY A 13 8.636 -0.290 7.148 1.00 2.07 O ATOM 0 H GLY A 13 8.740 2.419 9.268 1.00 2.05 H new ATOM 0 HA2 GLY A 13 7.811 2.552 7.161 1.00 1.93 H new ATOM 0 HA3 GLY A 13 9.448 2.768 6.573 1.00 1.93 H new ATOM 209 N GLY A 14 8.827 0.683 5.178 1.00 1.86 N ATOM 210 CA GLY A 14 8.784 -0.624 4.460 1.00 1.73 C ATOM 211 C GLY A 14 7.372 -0.868 3.924 1.00 1.37 C ATOM 212 O GLY A 14 6.942 -1.998 3.785 1.00 1.48 O ATOM 0 H GLY A 14 8.920 1.502 4.577 1.00 1.86 H new ATOM 0 HA2 GLY A 14 9.501 -0.623 3.639 1.00 1.73 H new ATOM 0 HA3 GLY A 14 9.073 -1.431 5.134 1.00 1.73 H new ATOM 216 N ILE A 15 6.651 0.182 3.626 1.00 1.07 N ATOM 217 CA ILE A 15 5.264 0.020 3.103 1.00 0.80 C ATOM 218 C ILE A 15 5.278 -0.062 1.583 1.00 0.60 C ATOM 219 O ILE A 15 4.863 -1.041 0.993 1.00 0.74 O ATOM 220 CB ILE A 15 4.415 1.225 3.472 1.00 0.59 C ATOM 221 CG1 ILE A 15 4.561 1.561 4.954 1.00 0.82 C ATOM 222 CG2 ILE A 15 2.959 0.913 3.160 1.00 0.76 C ATOM 223 CD1 ILE A 15 3.559 2.662 5.315 1.00 1.06 C ATOM 0 H ILE A 15 6.966 1.147 3.723 1.00 1.07 H new ATOM 0 HA ILE A 15 4.855 -0.892 3.538 1.00 0.80 H new ATOM 0 HB ILE A 15 4.750 2.086 2.893 1.00 0.59 H new ATOM 0 HG12 ILE A 15 4.381 0.674 5.561 1.00 0.82 H new ATOM 0 HG13 ILE A 15 5.577 1.892 5.167 1.00 0.82 H new ATOM 0 HG21 ILE A 15 2.339 1.771 3.421 1.00 0.76 H new ATOM 0 HG22 ILE A 15 2.853 0.698 2.097 1.00 0.76 H new ATOM 0 HG23 ILE A 15 2.641 0.046 3.739 1.00 0.76 H new ATOM 0 HD11 ILE A 15 3.655 2.909 6.372 1.00 1.06 H new ATOM 0 HD12 ILE A 15 3.761 3.549 4.715 1.00 1.06 H new ATOM 0 HD13 ILE A 15 2.546 2.312 5.115 1.00 1.06 H new ATOM 235 N THR A 16 5.716 0.993 0.949 1.00 0.47 N ATOM 236 CA THR A 16 5.723 1.037 -0.535 1.00 0.46 C ATOM 237 C THR A 16 6.548 -0.121 -1.115 1.00 0.49 C ATOM 238 O THR A 16 6.404 -0.462 -2.272 1.00 0.50 O ATOM 239 CB THR A 16 6.301 2.374 -1.006 1.00 0.69 C ATOM 240 OG1 THR A 16 6.510 2.329 -2.410 1.00 0.85 O ATOM 241 CG2 THR A 16 7.628 2.643 -0.298 1.00 0.88 C ATOM 0 H THR A 16 6.072 1.833 1.405 1.00 0.47 H new ATOM 0 HA THR A 16 4.697 0.936 -0.889 1.00 0.46 H new ATOM 0 HB THR A 16 5.601 3.174 -0.767 1.00 0.69 H new ATOM 0 HG1 THR A 16 7.420 2.630 -2.615 1.00 0.85 H new ATOM 0 HG21 THR A 16 8.035 3.596 -0.637 1.00 0.88 H new ATOM 0 HG22 THR A 16 7.465 2.681 0.779 1.00 0.88 H new ATOM 0 HG23 THR A 16 8.333 1.844 -0.530 1.00 0.88 H new ATOM 249 N ASP A 17 7.405 -0.728 -0.329 1.00 0.61 N ATOM 250 CA ASP A 17 8.221 -1.866 -0.847 1.00 0.74 C ATOM 251 C ASP A 17 7.326 -3.100 -0.984 1.00 0.69 C ATOM 252 O ASP A 17 7.440 -3.861 -1.926 1.00 0.78 O ATOM 253 CB ASP A 17 9.360 -2.166 0.131 1.00 0.92 C ATOM 254 CG ASP A 17 10.518 -2.827 -0.619 1.00 1.51 C ATOM 255 OD1 ASP A 17 10.248 -3.632 -1.497 1.00 2.71 O ATOM 256 OD2 ASP A 17 11.656 -2.519 -0.304 1.00 2.21 O ATOM 0 H ASP A 17 7.573 -0.483 0.647 1.00 0.61 H new ATOM 0 HA ASP A 17 8.641 -1.606 -1.819 1.00 0.74 H new ATOM 0 HB2 ASP A 17 9.699 -1.245 0.605 1.00 0.92 H new ATOM 0 HB3 ASP A 17 9.007 -2.822 0.927 1.00 0.92 H new ATOM 261 N MET A 18 6.434 -3.298 -0.046 1.00 0.72 N ATOM 262 CA MET A 18 5.520 -4.477 -0.104 1.00 0.72 C ATOM 263 C MET A 18 4.322 -4.178 -1.019 1.00 0.63 C ATOM 264 O MET A 18 3.632 -5.082 -1.453 1.00 0.63 O ATOM 265 CB MET A 18 5.015 -4.799 1.306 1.00 0.80 C ATOM 266 CG MET A 18 5.888 -5.896 1.925 1.00 1.31 C ATOM 267 SD MET A 18 4.878 -6.952 2.994 1.00 1.79 S ATOM 268 CE MET A 18 5.528 -8.540 2.423 1.00 2.18 C ATOM 0 H MET A 18 6.300 -2.689 0.762 1.00 0.72 H new ATOM 0 HA MET A 18 6.068 -5.330 -0.505 1.00 0.72 H new ATOM 0 HB2 MET A 18 5.043 -3.904 1.927 1.00 0.80 H new ATOM 0 HB3 MET A 18 3.976 -5.126 1.266 1.00 0.80 H new ATOM 0 HG2 MET A 18 6.349 -6.494 1.139 1.00 1.31 H new ATOM 0 HG3 MET A 18 6.698 -5.448 2.501 1.00 1.31 H new ATOM 0 HE1 MET A 18 5.034 -9.350 2.961 1.00 2.18 H new ATOM 0 HE2 MET A 18 5.341 -8.647 1.355 1.00 2.18 H new ATOM 0 HE3 MET A 18 6.601 -8.582 2.609 1.00 2.18 H new ATOM 278 N LEU A 19 4.076 -2.925 -1.330 1.00 0.60 N ATOM 279 CA LEU A 19 2.932 -2.589 -2.226 1.00 0.57 C ATOM 280 C LEU A 19 3.399 -2.807 -3.661 1.00 0.54 C ATOM 281 O LEU A 19 2.690 -3.349 -4.492 1.00 0.55 O ATOM 282 CB LEU A 19 2.528 -1.121 -2.019 1.00 0.59 C ATOM 283 CG LEU A 19 1.076 -1.044 -1.541 1.00 0.60 C ATOM 284 CD1 LEU A 19 0.985 -1.539 -0.097 1.00 1.81 C ATOM 285 CD2 LEU A 19 0.594 0.407 -1.613 1.00 1.84 C ATOM 0 H LEU A 19 4.619 -2.126 -1.001 1.00 0.60 H new ATOM 0 HA LEU A 19 2.067 -3.215 -2.007 1.00 0.57 H new ATOM 0 HB2 LEU A 19 3.186 -0.653 -1.287 1.00 0.59 H new ATOM 0 HB3 LEU A 19 2.643 -0.568 -2.951 1.00 0.59 H new ATOM 0 HG LEU A 19 0.450 -1.669 -2.178 1.00 0.60 H new ATOM 0 HD11 LEU A 19 -0.049 -1.484 0.242 1.00 1.81 H new ATOM 0 HD12 LEU A 19 1.329 -2.572 -0.044 1.00 1.81 H new ATOM 0 HD13 LEU A 19 1.610 -0.915 0.542 1.00 1.81 H new ATOM 0 HD21 LEU A 19 -0.440 0.464 -1.273 1.00 1.84 H new ATOM 0 HD22 LEU A 19 1.221 1.031 -0.975 1.00 1.84 H new ATOM 0 HD23 LEU A 19 0.658 0.761 -2.642 1.00 1.84 H new ATOM 297 N VAL A 20 4.610 -2.408 -3.937 1.00 0.55 N ATOM 298 CA VAL A 20 5.180 -2.599 -5.292 1.00 0.57 C ATOM 299 C VAL A 20 5.318 -4.101 -5.542 1.00 0.55 C ATOM 300 O VAL A 20 5.165 -4.569 -6.652 1.00 0.60 O ATOM 301 CB VAL A 20 6.549 -1.925 -5.359 1.00 0.60 C ATOM 302 CG1 VAL A 20 7.130 -2.080 -6.760 1.00 0.69 C ATOM 303 CG2 VAL A 20 6.396 -0.437 -5.036 1.00 0.63 C ATOM 0 H VAL A 20 5.233 -1.953 -3.270 1.00 0.55 H new ATOM 0 HA VAL A 20 4.534 -2.157 -6.050 1.00 0.57 H new ATOM 0 HB VAL A 20 7.218 -2.392 -4.637 1.00 0.60 H new ATOM 0 HG11 VAL A 20 8.107 -1.598 -6.804 1.00 0.69 H new ATOM 0 HG12 VAL A 20 7.237 -3.139 -6.994 1.00 0.69 H new ATOM 0 HG13 VAL A 20 6.462 -1.614 -7.484 1.00 0.69 H new ATOM 0 HG21 VAL A 20 7.371 0.048 -5.083 1.00 0.63 H new ATOM 0 HG22 VAL A 20 5.726 0.026 -5.761 1.00 0.63 H new ATOM 0 HG23 VAL A 20 5.982 -0.323 -4.034 1.00 0.63 H new ATOM 313 N GLU A 21 5.581 -4.859 -4.502 1.00 0.62 N ATOM 314 CA GLU A 21 5.698 -6.336 -4.659 1.00 0.62 C ATOM 315 C GLU A 21 4.320 -6.880 -5.034 1.00 0.58 C ATOM 316 O GLU A 21 4.192 -7.833 -5.787 1.00 0.60 O ATOM 317 CB GLU A 21 6.158 -6.961 -3.340 1.00 0.73 C ATOM 318 CG GLU A 21 6.726 -8.356 -3.607 1.00 1.15 C ATOM 319 CD GLU A 21 5.585 -9.375 -3.632 1.00 2.47 C ATOM 320 OE1 GLU A 21 4.973 -9.573 -2.595 1.00 3.25 O ATOM 321 OE2 GLU A 21 5.343 -9.938 -4.686 1.00 3.77 O ATOM 0 H GLU A 21 5.719 -4.513 -3.552 1.00 0.62 H new ATOM 0 HA GLU A 21 6.426 -6.579 -5.433 1.00 0.62 H new ATOM 0 HB2 GLU A 21 6.915 -6.332 -2.872 1.00 0.73 H new ATOM 0 HB3 GLU A 21 5.321 -7.024 -2.644 1.00 0.73 H new ATOM 0 HG2 GLU A 21 7.259 -8.367 -4.558 1.00 1.15 H new ATOM 0 HG3 GLU A 21 7.447 -8.621 -2.834 1.00 1.15 H new ATOM 328 N LEU A 22 3.277 -6.259 -4.525 1.00 0.77 N ATOM 329 CA LEU A 22 1.891 -6.704 -4.860 1.00 0.87 C ATOM 330 C LEU A 22 1.724 -6.670 -6.380 1.00 0.61 C ATOM 331 O LEU A 22 1.159 -7.565 -6.980 1.00 0.65 O ATOM 332 CB LEU A 22 0.875 -5.748 -4.219 1.00 1.34 C ATOM 333 CG LEU A 22 -0.427 -6.488 -3.862 1.00 1.21 C ATOM 334 CD1 LEU A 22 -0.950 -7.278 -5.064 1.00 1.68 C ATOM 335 CD2 LEU A 22 -0.171 -7.449 -2.708 1.00 2.73 C ATOM 0 H LEU A 22 3.331 -5.462 -3.891 1.00 0.77 H new ATOM 0 HA LEU A 22 1.723 -7.713 -4.483 1.00 0.87 H new ATOM 0 HB2 LEU A 22 1.304 -5.304 -3.320 1.00 1.34 H new ATOM 0 HB3 LEU A 22 0.656 -4.930 -4.905 1.00 1.34 H new ATOM 0 HG LEU A 22 -1.173 -5.748 -3.574 1.00 1.21 H new ATOM 0 HD11 LEU A 22 -1.870 -7.793 -4.788 1.00 1.68 H new ATOM 0 HD12 LEU A 22 -1.149 -6.595 -5.890 1.00 1.68 H new ATOM 0 HD13 LEU A 22 -0.203 -8.010 -5.371 1.00 1.68 H new ATOM 0 HD21 LEU A 22 -1.094 -7.971 -2.458 1.00 2.73 H new ATOM 0 HD22 LEU A 22 0.588 -8.174 -3.000 1.00 2.73 H new ATOM 0 HD23 LEU A 22 0.177 -6.890 -1.839 1.00 2.73 H new ATOM 347 N ALA A 23 2.243 -5.641 -7.000 1.00 0.65 N ATOM 348 CA ALA A 23 2.161 -5.528 -8.483 1.00 0.81 C ATOM 349 C ALA A 23 3.194 -6.471 -9.115 1.00 0.85 C ATOM 350 O ALA A 23 3.038 -6.914 -10.237 1.00 1.06 O ATOM 351 CB ALA A 23 2.454 -4.086 -8.898 1.00 1.11 C ATOM 0 H ALA A 23 2.723 -4.870 -6.536 1.00 0.65 H new ATOM 0 HA ALA A 23 1.162 -5.803 -8.822 1.00 0.81 H new ATOM 0 HB1 ALA A 23 2.395 -4.000 -9.983 1.00 1.11 H new ATOM 0 HB2 ALA A 23 1.722 -3.420 -8.441 1.00 1.11 H new ATOM 0 HB3 ALA A 23 3.454 -3.808 -8.566 1.00 1.11 H new ATOM 357 N ASN A 24 4.243 -6.789 -8.391 1.00 0.76 N ATOM 358 CA ASN A 24 5.287 -7.712 -8.924 1.00 0.97 C ATOM 359 C ASN A 24 4.750 -9.153 -8.979 1.00 1.05 C ATOM 360 O ASN A 24 5.405 -10.027 -9.509 1.00 1.31 O ATOM 361 CB ASN A 24 6.517 -7.665 -8.016 1.00 1.01 C ATOM 362 CG ASN A 24 7.782 -7.851 -8.856 1.00 1.61 C ATOM 363 OD1 ASN A 24 8.664 -6.890 -8.906 1.00 2.98 O flip ATOM 364 ND2 ASN A 24 7.970 -8.881 -9.472 1.00 1.93 N flip ATOM 0 H ASN A 24 4.418 -6.444 -7.447 1.00 0.76 H new ATOM 0 HA ASN A 24 5.556 -7.396 -9.932 1.00 0.97 H new ATOM 0 HB2 ASN A 24 6.556 -6.712 -7.488 1.00 1.01 H new ATOM 0 HB3 ASN A 24 6.453 -8.447 -7.259 1.00 1.01 H new ATOM 0 HD21 ASN A 24 7.281 -9.632 -9.433 1.00 1.93 H new ATOM 0 HD22 ASN A 24 8.817 -8.995 -10.028 1.00 1.93 H new ATOM 371 N PHE A 25 3.566 -9.399 -8.428 1.00 0.90 N ATOM 372 CA PHE A 25 2.937 -10.776 -8.425 1.00 1.07 C ATOM 373 C PHE A 25 3.291 -11.574 -9.694 1.00 1.43 C ATOM 374 O PHE A 25 3.522 -12.767 -9.643 1.00 1.82 O ATOM 375 CB PHE A 25 1.413 -10.603 -8.364 1.00 0.83 C ATOM 376 CG PHE A 25 0.912 -10.667 -6.937 1.00 1.04 C ATOM 377 CD1 PHE A 25 1.622 -10.049 -5.898 1.00 2.28 C ATOM 378 CD2 PHE A 25 -0.282 -11.342 -6.659 1.00 1.93 C ATOM 379 CE1 PHE A 25 1.138 -10.110 -4.587 1.00 2.73 C ATOM 380 CE2 PHE A 25 -0.766 -11.401 -5.350 1.00 2.21 C ATOM 381 CZ PHE A 25 -0.057 -10.785 -4.312 1.00 2.12 C ATOM 0 H PHE A 25 3.000 -8.684 -7.971 1.00 0.90 H new ATOM 0 HA PHE A 25 3.317 -11.328 -7.565 1.00 1.07 H new ATOM 0 HB2 PHE A 25 1.135 -9.647 -8.807 1.00 0.83 H new ATOM 0 HB3 PHE A 25 0.932 -11.381 -8.956 1.00 0.83 H new ATOM 0 HD1 PHE A 25 2.543 -9.526 -6.110 1.00 2.28 H new ATOM 0 HD2 PHE A 25 -0.830 -11.818 -7.458 1.00 1.93 H new ATOM 0 HE1 PHE A 25 1.687 -9.636 -3.787 1.00 2.73 H new ATOM 0 HE2 PHE A 25 -1.688 -11.922 -5.139 1.00 2.21 H new ATOM 0 HZ PHE A 25 -0.432 -10.831 -3.300 1.00 2.12 H new ATOM 391 N GLU A 26 3.340 -10.913 -10.825 1.00 1.46 N ATOM 392 CA GLU A 26 3.684 -11.613 -12.102 1.00 1.91 C ATOM 393 C GLU A 26 2.698 -12.758 -12.363 1.00 1.84 C ATOM 394 O GLU A 26 3.008 -13.701 -13.066 1.00 2.37 O ATOM 395 CB GLU A 26 5.102 -12.177 -12.005 1.00 2.54 C ATOM 396 CG GLU A 26 5.756 -12.152 -13.388 1.00 3.16 C ATOM 397 CD GLU A 26 7.264 -12.369 -13.245 1.00 3.93 C ATOM 398 OE1 GLU A 26 7.823 -11.888 -12.274 1.00 4.57 O ATOM 399 OE2 GLU A 26 7.833 -13.014 -14.111 1.00 4.51 O ATOM 0 H GLU A 26 3.156 -9.914 -10.919 1.00 1.46 H new ATOM 0 HA GLU A 26 3.624 -10.900 -12.924 1.00 1.91 H new ATOM 0 HB2 GLU A 26 5.691 -11.589 -11.301 1.00 2.54 H new ATOM 0 HB3 GLU A 26 5.074 -13.197 -11.623 1.00 2.54 H new ATOM 0 HG2 GLU A 26 5.325 -12.928 -14.020 1.00 3.16 H new ATOM 0 HG3 GLU A 26 5.560 -11.198 -13.877 1.00 3.16 H new ATOM 406 N LYS A 27 1.515 -12.680 -11.807 1.00 1.42 N ATOM 407 CA LYS A 27 0.505 -13.757 -12.023 1.00 1.58 C ATOM 408 C LYS A 27 -0.894 -13.159 -11.896 1.00 1.33 C ATOM 409 O LYS A 27 -1.596 -12.982 -12.874 1.00 1.33 O ATOM 410 CB LYS A 27 0.692 -14.855 -10.969 1.00 2.22 C ATOM 411 CG LYS A 27 1.643 -15.938 -11.503 1.00 2.42 C ATOM 412 CD LYS A 27 0.886 -17.256 -11.684 1.00 3.15 C ATOM 413 CE LYS A 27 1.884 -18.414 -11.750 1.00 3.51 C ATOM 414 NZ LYS A 27 1.282 -19.627 -11.128 1.00 4.65 N ATOM 0 H LYS A 27 1.206 -11.913 -11.210 1.00 1.42 H new ATOM 0 HA LYS A 27 0.633 -14.188 -13.016 1.00 1.58 H new ATOM 0 HB2 LYS A 27 1.095 -14.426 -10.052 1.00 2.22 H new ATOM 0 HB3 LYS A 27 -0.272 -15.297 -10.717 1.00 2.22 H new ATOM 0 HG2 LYS A 27 2.071 -15.621 -12.454 1.00 2.42 H new ATOM 0 HG3 LYS A 27 2.473 -16.078 -10.811 1.00 2.42 H new ATOM 0 HD2 LYS A 27 0.193 -17.406 -10.856 1.00 3.15 H new ATOM 0 HD3 LYS A 27 0.290 -17.223 -12.596 1.00 3.15 H new ATOM 0 HE2 LYS A 27 2.151 -18.619 -12.787 1.00 3.51 H new ATOM 0 HE3 LYS A 27 2.804 -18.145 -11.231 1.00 3.51 H new ATOM 0 HZ1 LYS A 27 1.961 -20.414 -11.173 1.00 4.65 H new ATOM 0 HZ2 LYS A 27 1.048 -19.428 -10.134 1.00 4.65 H new ATOM 0 HZ3 LYS A 27 0.416 -19.887 -11.642 1.00 4.65 H new ATOM 428 N ASN A 28 -1.298 -12.834 -10.695 1.00 1.50 N ATOM 429 CA ASN A 28 -2.646 -12.233 -10.488 1.00 1.86 C ATOM 430 C ASN A 28 -2.608 -10.771 -10.934 1.00 1.74 C ATOM 431 O ASN A 28 -3.581 -10.237 -11.434 1.00 2.40 O ATOM 432 CB ASN A 28 -3.010 -12.304 -9.003 1.00 2.38 C ATOM 433 CG ASN A 28 -4.521 -12.498 -8.855 1.00 3.33 C ATOM 434 OD1 ASN A 28 -5.177 -11.741 -8.167 1.00 4.32 O ATOM 435 ND2 ASN A 28 -5.103 -13.486 -9.475 1.00 3.61 N ATOM 0 H ASN A 28 -0.748 -12.960 -9.845 1.00 1.50 H new ATOM 0 HA ASN A 28 -3.390 -12.778 -11.069 1.00 1.86 H new ATOM 0 HB2 ASN A 28 -2.479 -13.128 -8.527 1.00 2.38 H new ATOM 0 HB3 ASN A 28 -2.699 -11.390 -8.498 1.00 2.38 H new ATOM 0 HD21 ASN A 28 -6.109 -13.624 -9.383 1.00 3.61 H new ATOM 0 HD22 ASN A 28 -4.552 -14.121 -10.052 1.00 3.61 H new ATOM 442 N VAL A 29 -1.486 -10.126 -10.751 1.00 1.33 N ATOM 443 CA VAL A 29 -1.354 -8.701 -11.152 1.00 1.68 C ATOM 444 C VAL A 29 -0.527 -8.616 -12.441 1.00 2.07 C ATOM 445 O VAL A 29 0.340 -7.772 -12.579 1.00 3.11 O ATOM 446 CB VAL A 29 -0.646 -7.932 -10.031 1.00 1.55 C ATOM 447 CG1 VAL A 29 -0.677 -6.439 -10.337 1.00 2.17 C ATOM 448 CG2 VAL A 29 -1.356 -8.193 -8.698 1.00 1.55 C ATOM 0 H VAL A 29 -0.648 -10.533 -10.336 1.00 1.33 H new ATOM 0 HA VAL A 29 -2.339 -8.267 -11.326 1.00 1.68 H new ATOM 0 HB VAL A 29 0.389 -8.268 -9.963 1.00 1.55 H new ATOM 0 HG11 VAL A 29 -0.173 -5.894 -9.539 1.00 2.17 H new ATOM 0 HG12 VAL A 29 -0.168 -6.251 -11.282 1.00 2.17 H new ATOM 0 HG13 VAL A 29 -1.712 -6.104 -10.409 1.00 2.17 H new ATOM 0 HG21 VAL A 29 -0.850 -7.645 -7.903 1.00 1.55 H new ATOM 0 HG22 VAL A 29 -2.392 -7.860 -8.766 1.00 1.55 H new ATOM 0 HG23 VAL A 29 -1.332 -9.260 -8.476 1.00 1.55 H new ATOM 458 N SER A 30 -0.782 -9.496 -13.378 1.00 1.96 N ATOM 459 CA SER A 30 -0.008 -9.487 -14.657 1.00 2.60 C ATOM 460 C SER A 30 -0.699 -8.593 -15.697 1.00 2.85 C ATOM 461 O SER A 30 -0.307 -7.459 -15.902 1.00 3.73 O ATOM 462 CB SER A 30 0.101 -10.917 -15.193 1.00 3.22 C ATOM 463 OG SER A 30 0.656 -10.886 -16.502 1.00 4.02 O ATOM 0 H SER A 30 -1.495 -10.222 -13.311 1.00 1.96 H new ATOM 0 HA SER A 30 0.989 -9.089 -14.466 1.00 2.60 H new ATOM 0 HB2 SER A 30 0.727 -11.518 -14.534 1.00 3.22 H new ATOM 0 HB3 SER A 30 -0.883 -11.386 -15.213 1.00 3.22 H new ATOM 0 HG SER A 30 0.729 -11.800 -16.848 1.00 4.02 H new ATOM 469 N GLN A 31 -1.713 -9.097 -16.364 1.00 3.10 N ATOM 470 CA GLN A 31 -2.414 -8.277 -17.401 1.00 3.74 C ATOM 471 C GLN A 31 -3.928 -8.490 -17.300 1.00 3.87 C ATOM 472 O GLN A 31 -4.392 -9.526 -16.865 1.00 4.74 O ATOM 473 CB GLN A 31 -1.932 -8.703 -18.791 1.00 4.86 C ATOM 474 CG GLN A 31 -0.786 -7.792 -19.237 1.00 5.47 C ATOM 475 CD GLN A 31 -1.349 -6.625 -20.052 1.00 6.29 C ATOM 476 OE1 GLN A 31 -2.283 -6.793 -20.811 1.00 6.90 O ATOM 477 NE2 GLN A 31 -0.817 -5.441 -19.925 1.00 7.05 N ATOM 0 H GLN A 31 -2.083 -10.039 -16.234 1.00 3.10 H new ATOM 0 HA GLN A 31 -2.190 -7.223 -17.239 1.00 3.74 H new ATOM 0 HB2 GLN A 31 -1.598 -9.740 -18.769 1.00 4.86 H new ATOM 0 HB3 GLN A 31 -2.754 -8.647 -19.505 1.00 4.86 H new ATOM 0 HG2 GLN A 31 -0.247 -7.416 -18.368 1.00 5.47 H new ATOM 0 HG3 GLN A 31 -0.071 -8.356 -19.836 1.00 5.47 H new ATOM 0 HE21 GLN A 31 -0.033 -5.300 -19.288 1.00 7.05 H new ATOM 0 HE22 GLN A 31 -1.185 -4.656 -20.463 1.00 7.05 H new ATOM 486 N ALA A 32 -4.700 -7.502 -17.689 1.00 3.66 N ATOM 487 CA ALA A 32 -6.192 -7.611 -17.610 1.00 3.96 C ATOM 488 C ALA A 32 -6.583 -7.604 -16.139 1.00 2.94 C ATOM 489 O ALA A 32 -7.492 -8.290 -15.713 1.00 3.42 O ATOM 490 CB ALA A 32 -6.678 -8.909 -18.270 1.00 5.09 C ATOM 0 H ALA A 32 -4.356 -6.617 -18.061 1.00 3.66 H new ATOM 0 HA ALA A 32 -6.652 -6.775 -18.137 1.00 3.96 H new ATOM 0 HB1 ALA A 32 -7.764 -8.968 -18.201 1.00 5.09 H new ATOM 0 HB2 ALA A 32 -6.380 -8.918 -19.318 1.00 5.09 H new ATOM 0 HB3 ALA A 32 -6.235 -9.764 -17.760 1.00 5.09 H new ATOM 496 N ILE A 33 -5.869 -6.838 -15.363 1.00 1.98 N ATOM 497 CA ILE A 33 -6.138 -6.766 -13.903 1.00 1.30 C ATOM 498 C ILE A 33 -7.128 -5.640 -13.603 1.00 1.55 C ATOM 499 O ILE A 33 -7.130 -4.611 -14.252 1.00 2.46 O ATOM 500 CB ILE A 33 -4.832 -6.518 -13.147 1.00 1.85 C ATOM 501 CG1 ILE A 33 -3.653 -7.246 -13.823 1.00 2.11 C ATOM 502 CG2 ILE A 33 -4.999 -7.056 -11.733 1.00 2.96 C ATOM 503 CD1 ILE A 33 -2.860 -6.256 -14.681 1.00 2.73 C ATOM 0 H ILE A 33 -5.100 -6.251 -15.685 1.00 1.98 H new ATOM 0 HA ILE A 33 -6.570 -7.713 -13.578 1.00 1.30 H new ATOM 0 HB ILE A 33 -4.617 -5.449 -13.143 1.00 1.85 H new ATOM 0 HG12 ILE A 33 -3.004 -7.688 -13.067 1.00 2.11 H new ATOM 0 HG13 ILE A 33 -4.024 -8.063 -14.442 1.00 2.11 H new ATOM 0 HG21 ILE A 33 -4.080 -6.892 -11.170 1.00 2.96 H new ATOM 0 HG22 ILE A 33 -5.823 -6.538 -11.242 1.00 2.96 H new ATOM 0 HG23 ILE A 33 -5.214 -8.124 -11.773 1.00 2.96 H new ATOM 0 HD11 ILE A 33 -2.027 -6.773 -15.158 1.00 2.73 H new ATOM 0 HD12 ILE A 33 -3.512 -5.835 -15.447 1.00 2.73 H new ATOM 0 HD13 ILE A 33 -2.476 -5.454 -14.050 1.00 2.73 H new ATOM 515 N HIS A 34 -7.964 -5.833 -12.615 1.00 1.37 N ATOM 516 CA HIS A 34 -8.962 -4.784 -12.249 1.00 1.69 C ATOM 517 C HIS A 34 -8.678 -4.291 -10.828 1.00 1.44 C ATOM 518 O HIS A 34 -8.805 -3.116 -10.534 1.00 1.82 O ATOM 519 CB HIS A 34 -10.374 -5.376 -12.315 1.00 2.24 C ATOM 520 CG HIS A 34 -10.439 -6.623 -11.476 1.00 2.14 C ATOM 521 ND1 HIS A 34 -10.708 -6.586 -10.118 1.00 2.83 N ATOM 522 CD2 HIS A 34 -10.262 -7.948 -11.788 1.00 2.75 C ATOM 523 CE1 HIS A 34 -10.685 -7.853 -9.666 1.00 3.14 C ATOM 524 NE2 HIS A 34 -10.418 -8.723 -10.643 1.00 2.96 N ATOM 0 H HIS A 34 -7.998 -6.677 -12.043 1.00 1.37 H new ATOM 0 HA HIS A 34 -8.888 -3.949 -12.946 1.00 1.69 H new ATOM 0 HB2 HIS A 34 -11.102 -4.647 -11.958 1.00 2.24 H new ATOM 0 HB3 HIS A 34 -10.634 -5.607 -13.348 1.00 2.24 H new ATOM 0 HD2 HIS A 34 -10.036 -8.331 -12.772 1.00 2.75 H new ATOM 0 HE1 HIS A 34 -10.861 -8.132 -8.638 1.00 3.14 H new ATOM 0 HE2 HIS A 34 -10.344 -9.737 -10.566 1.00 2.96 H new ATOM 532 N LYS A 35 -8.290 -5.180 -9.946 1.00 1.17 N ATOM 533 CA LYS A 35 -7.988 -4.768 -8.541 1.00 1.12 C ATOM 534 C LYS A 35 -6.476 -4.563 -8.380 1.00 0.95 C ATOM 535 O LYS A 35 -5.942 -4.658 -7.292 1.00 1.19 O ATOM 536 CB LYS A 35 -8.461 -5.861 -7.576 1.00 1.37 C ATOM 537 CG LYS A 35 -9.835 -5.490 -7.013 1.00 2.47 C ATOM 538 CD LYS A 35 -9.950 -5.987 -5.571 1.00 2.66 C ATOM 539 CE LYS A 35 -11.411 -5.927 -5.123 1.00 3.94 C ATOM 540 NZ LYS A 35 -11.661 -4.640 -4.413 1.00 5.19 N ATOM 0 H LYS A 35 -8.170 -6.174 -10.140 1.00 1.17 H new ATOM 0 HA LYS A 35 -8.506 -3.835 -8.317 1.00 1.12 H new ATOM 0 HB2 LYS A 35 -8.516 -6.819 -8.094 1.00 1.37 H new ATOM 0 HB3 LYS A 35 -7.744 -5.978 -6.764 1.00 1.37 H new ATOM 0 HG2 LYS A 35 -9.974 -4.409 -7.048 1.00 2.47 H new ATOM 0 HG3 LYS A 35 -10.621 -5.932 -7.625 1.00 2.47 H new ATOM 0 HD2 LYS A 35 -9.578 -7.009 -5.497 1.00 2.66 H new ATOM 0 HD3 LYS A 35 -9.332 -5.375 -4.914 1.00 2.66 H new ATOM 0 HE2 LYS A 35 -12.071 -6.012 -5.986 1.00 3.94 H new ATOM 0 HE3 LYS A 35 -11.636 -6.767 -4.466 1.00 3.94 H new ATOM 0 HZ1 LYS A 35 -12.654 -4.599 -4.108 1.00 5.19 H new ATOM 0 HZ2 LYS A 35 -11.041 -4.576 -3.581 1.00 5.19 H new ATOM 0 HZ3 LYS A 35 -11.463 -3.846 -5.054 1.00 5.19 H new ATOM 554 N TYR A 36 -5.786 -4.282 -9.458 1.00 0.89 N ATOM 555 CA TYR A 36 -4.313 -4.067 -9.386 1.00 0.88 C ATOM 556 C TYR A 36 -4.038 -2.569 -9.141 1.00 0.86 C ATOM 557 O TYR A 36 -3.012 -2.203 -8.599 1.00 0.86 O ATOM 558 CB TYR A 36 -3.692 -4.610 -10.700 1.00 0.89 C ATOM 559 CG TYR A 36 -2.507 -3.796 -11.192 1.00 1.07 C ATOM 560 CD1 TYR A 36 -1.420 -3.553 -10.345 1.00 2.23 C ATOM 561 CD2 TYR A 36 -2.502 -3.297 -12.498 1.00 2.13 C ATOM 562 CE1 TYR A 36 -0.328 -2.808 -10.805 1.00 2.35 C ATOM 563 CE2 TYR A 36 -1.410 -2.552 -12.959 1.00 2.47 C ATOM 564 CZ TYR A 36 -0.323 -2.308 -12.112 1.00 1.81 C ATOM 565 OH TYR A 36 0.755 -1.575 -12.566 1.00 2.24 O ATOM 0 H TYR A 36 -6.187 -4.192 -10.392 1.00 0.89 H new ATOM 0 HA TYR A 36 -3.852 -4.604 -8.557 1.00 0.88 H new ATOM 0 HB2 TYR A 36 -3.375 -5.641 -10.544 1.00 0.89 H new ATOM 0 HB3 TYR A 36 -4.458 -4.626 -11.475 1.00 0.89 H new ATOM 0 HD1 TYR A 36 -1.424 -3.940 -9.337 1.00 2.23 H new ATOM 0 HD2 TYR A 36 -3.341 -3.486 -13.151 1.00 2.13 H new ATOM 0 HE1 TYR A 36 0.511 -2.619 -10.151 1.00 2.35 H new ATOM 0 HE2 TYR A 36 -1.406 -2.166 -13.968 1.00 2.47 H new ATOM 0 HH TYR A 36 0.599 -1.304 -13.495 1.00 2.24 H new ATOM 575 N ASN A 37 -4.957 -1.707 -9.507 1.00 0.94 N ATOM 576 CA ASN A 37 -4.756 -0.245 -9.268 1.00 0.98 C ATOM 577 C ASN A 37 -4.673 0.032 -7.757 1.00 0.87 C ATOM 578 O ASN A 37 -4.243 1.088 -7.340 1.00 0.89 O ATOM 579 CB ASN A 37 -5.928 0.536 -9.866 1.00 1.27 C ATOM 580 CG ASN A 37 -5.585 0.956 -11.298 1.00 1.57 C ATOM 581 OD1 ASN A 37 -6.142 0.436 -12.244 1.00 2.57 O ATOM 582 ND2 ASN A 37 -4.684 1.879 -11.496 1.00 2.69 N ATOM 0 H ASN A 37 -5.837 -1.954 -9.961 1.00 0.94 H new ATOM 0 HA ASN A 37 -3.826 0.071 -9.742 1.00 0.98 H new ATOM 0 HB2 ASN A 37 -6.828 -0.079 -9.862 1.00 1.27 H new ATOM 0 HB3 ASN A 37 -6.140 1.416 -9.259 1.00 1.27 H new ATOM 0 HD21 ASN A 37 -4.447 2.165 -12.446 1.00 2.69 H new ATOM 0 HD22 ASN A 37 -4.217 2.315 -10.701 1.00 2.69 H new ATOM 589 N ALA A 38 -5.085 -0.905 -6.934 1.00 0.86 N ATOM 590 CA ALA A 38 -5.033 -0.701 -5.455 1.00 0.91 C ATOM 591 C ALA A 38 -3.581 -0.565 -4.994 1.00 0.72 C ATOM 592 O ALA A 38 -3.280 0.128 -4.041 1.00 0.88 O ATOM 593 CB ALA A 38 -5.633 -1.937 -4.769 1.00 1.03 C ATOM 0 H ALA A 38 -5.457 -1.808 -7.229 1.00 0.86 H new ATOM 0 HA ALA A 38 -5.588 0.202 -5.199 1.00 0.91 H new ATOM 0 HB1 ALA A 38 -5.602 -1.804 -3.688 1.00 1.03 H new ATOM 0 HB2 ALA A 38 -6.667 -2.065 -5.090 1.00 1.03 H new ATOM 0 HB3 ALA A 38 -5.056 -2.821 -5.042 1.00 1.03 H new ATOM 599 N TYR A 39 -2.697 -1.270 -5.636 1.00 0.56 N ATOM 600 CA TYR A 39 -1.257 -1.260 -5.221 1.00 0.58 C ATOM 601 C TYR A 39 -0.485 -0.163 -5.956 1.00 0.51 C ATOM 602 O TYR A 39 0.369 0.486 -5.385 1.00 0.55 O ATOM 603 CB TYR A 39 -0.619 -2.636 -5.522 1.00 0.72 C ATOM 604 CG TYR A 39 -1.679 -3.722 -5.470 1.00 0.71 C ATOM 605 CD1 TYR A 39 -2.496 -3.841 -4.339 1.00 1.52 C ATOM 606 CD2 TYR A 39 -1.869 -4.572 -6.563 1.00 1.75 C ATOM 607 CE1 TYR A 39 -3.502 -4.814 -4.301 1.00 1.57 C ATOM 608 CE2 TYR A 39 -2.873 -5.549 -6.523 1.00 1.72 C ATOM 609 CZ TYR A 39 -3.690 -5.668 -5.393 1.00 0.75 C ATOM 610 OH TYR A 39 -4.681 -6.628 -5.357 1.00 0.80 O ATOM 0 H TYR A 39 -2.906 -1.861 -6.440 1.00 0.56 H new ATOM 0 HA TYR A 39 -1.208 -1.058 -4.151 1.00 0.58 H new ATOM 0 HB2 TYR A 39 -0.150 -2.621 -6.506 1.00 0.72 H new ATOM 0 HB3 TYR A 39 0.167 -2.848 -4.797 1.00 0.72 H new ATOM 0 HD1 TYR A 39 -2.350 -3.182 -3.496 1.00 1.52 H new ATOM 0 HD2 TYR A 39 -1.243 -4.476 -7.438 1.00 1.75 H new ATOM 0 HE1 TYR A 39 -4.133 -4.905 -3.429 1.00 1.57 H new ATOM 0 HE2 TYR A 39 -3.016 -6.210 -7.365 1.00 1.72 H new ATOM 0 HH TYR A 39 -5.427 -6.350 -5.929 1.00 0.80 H new ATOM 620 N ARG A 40 -0.769 0.043 -7.215 1.00 0.54 N ATOM 621 CA ARG A 40 -0.042 1.094 -7.986 1.00 0.56 C ATOM 622 C ARG A 40 -0.349 2.474 -7.397 1.00 0.50 C ATOM 623 O ARG A 40 0.544 3.260 -7.140 1.00 0.55 O ATOM 624 CB ARG A 40 -0.487 1.043 -9.449 1.00 0.65 C ATOM 625 CG ARG A 40 0.543 1.762 -10.327 1.00 0.89 C ATOM 626 CD ARG A 40 1.888 1.023 -10.276 1.00 0.86 C ATOM 627 NE ARG A 40 2.962 1.958 -9.792 1.00 2.03 N ATOM 628 CZ ARG A 40 3.184 3.129 -10.356 1.00 2.56 C ATOM 629 NH1 ARG A 40 2.615 3.463 -11.489 1.00 2.94 N ATOM 630 NH2 ARG A 40 4.034 3.951 -9.803 1.00 3.98 N ATOM 0 H ARG A 40 -1.474 -0.472 -7.743 1.00 0.54 H new ATOM 0 HA ARG A 40 1.031 0.915 -7.926 1.00 0.56 H new ATOM 0 HB2 ARG A 40 -0.594 0.007 -9.771 1.00 0.65 H new ATOM 0 HB3 ARG A 40 -1.464 1.513 -9.559 1.00 0.65 H new ATOM 0 HG2 ARG A 40 0.185 1.811 -11.355 1.00 0.89 H new ATOM 0 HG3 ARG A 40 0.670 2.789 -9.985 1.00 0.89 H new ATOM 0 HD2 ARG A 40 1.816 0.162 -9.612 1.00 0.86 H new ATOM 0 HD3 ARG A 40 2.142 0.642 -11.265 1.00 0.86 H new ATOM 0 HE ARG A 40 3.539 1.676 -8.999 1.00 2.03 H new ATOM 0 HH11 ARG A 40 1.984 2.811 -11.955 1.00 2.94 H new ATOM 0 HH12 ARG A 40 2.803 4.375 -11.905 1.00 2.94 H new ATOM 0 HH21 ARG A 40 4.517 3.684 -8.945 1.00 3.98 H new ATOM 0 HH22 ARG A 40 4.215 4.860 -10.229 1.00 3.98 H new ATOM 644 N LYS A 41 -1.604 2.771 -7.183 1.00 0.50 N ATOM 645 CA LYS A 41 -1.984 4.098 -6.612 1.00 0.52 C ATOM 646 C LYS A 41 -1.594 4.154 -5.131 1.00 0.45 C ATOM 647 O LYS A 41 -0.981 5.105 -4.680 1.00 0.46 O ATOM 648 CB LYS A 41 -3.495 4.297 -6.749 1.00 0.61 C ATOM 649 CG LYS A 41 -3.799 5.017 -8.064 1.00 1.17 C ATOM 650 CD LYS A 41 -5.309 5.235 -8.191 1.00 1.68 C ATOM 651 CE LYS A 41 -5.583 6.333 -9.219 1.00 2.28 C ATOM 652 NZ LYS A 41 -6.882 6.065 -9.899 1.00 3.09 N ATOM 0 H LYS A 41 -2.387 2.148 -7.380 1.00 0.50 H new ATOM 0 HA LYS A 41 -1.461 4.887 -7.153 1.00 0.52 H new ATOM 0 HB2 LYS A 41 -4.003 3.333 -6.724 1.00 0.61 H new ATOM 0 HB3 LYS A 41 -3.873 4.878 -5.908 1.00 0.61 H new ATOM 0 HG2 LYS A 41 -3.279 5.974 -8.095 1.00 1.17 H new ATOM 0 HG3 LYS A 41 -3.434 4.429 -8.906 1.00 1.17 H new ATOM 0 HD2 LYS A 41 -5.796 4.308 -8.495 1.00 1.68 H new ATOM 0 HD3 LYS A 41 -5.729 5.514 -7.225 1.00 1.68 H new ATOM 0 HE2 LYS A 41 -5.611 7.306 -8.729 1.00 2.28 H new ATOM 0 HE3 LYS A 41 -4.777 6.369 -9.952 1.00 2.28 H new ATOM 0 HZ1 LYS A 41 -7.068 6.812 -10.598 1.00 3.09 H new ATOM 0 HZ2 LYS A 41 -6.839 5.144 -10.380 1.00 3.09 H new ATOM 0 HZ3 LYS A 41 -7.647 6.052 -9.194 1.00 3.09 H new ATOM 666 N ALA A 42 -1.943 3.144 -4.372 1.00 0.45 N ATOM 667 CA ALA A 42 -1.592 3.134 -2.918 1.00 0.45 C ATOM 668 C ALA A 42 -0.072 3.113 -2.739 1.00 0.44 C ATOM 669 O ALA A 42 0.426 3.376 -1.666 1.00 0.84 O ATOM 670 CB ALA A 42 -2.193 1.896 -2.247 1.00 0.50 C ATOM 0 H ALA A 42 -2.457 2.325 -4.697 1.00 0.45 H new ATOM 0 HA ALA A 42 -1.996 4.035 -2.457 1.00 0.45 H new ATOM 0 HB1 ALA A 42 -1.934 1.894 -1.188 1.00 0.50 H new ATOM 0 HB2 ALA A 42 -3.277 1.914 -2.355 1.00 0.50 H new ATOM 0 HB3 ALA A 42 -1.796 0.997 -2.719 1.00 0.50 H new ATOM 676 N ALA A 43 0.667 2.794 -3.771 1.00 0.53 N ATOM 677 CA ALA A 43 2.150 2.749 -3.647 1.00 0.54 C ATOM 678 C ALA A 43 2.741 4.132 -3.929 1.00 0.48 C ATOM 679 O ALA A 43 3.791 4.479 -3.423 1.00 0.48 O ATOM 680 CB ALA A 43 2.697 1.748 -4.658 1.00 0.73 C ATOM 0 H ALA A 43 0.303 2.563 -4.695 1.00 0.53 H new ATOM 0 HA ALA A 43 2.423 2.448 -2.636 1.00 0.54 H new ATOM 0 HB1 ALA A 43 3.783 1.706 -4.577 1.00 0.73 H new ATOM 0 HB2 ALA A 43 2.279 0.762 -4.456 1.00 0.73 H new ATOM 0 HB3 ALA A 43 2.420 2.060 -5.665 1.00 0.73 H new ATOM 686 N SER A 44 2.083 4.918 -4.743 1.00 0.56 N ATOM 687 CA SER A 44 2.611 6.275 -5.074 1.00 0.63 C ATOM 688 C SER A 44 2.372 7.237 -3.906 1.00 0.52 C ATOM 689 O SER A 44 3.095 8.201 -3.734 1.00 0.58 O ATOM 690 CB SER A 44 1.899 6.804 -6.319 1.00 0.80 C ATOM 691 OG SER A 44 1.571 5.714 -7.171 1.00 1.66 O ATOM 0 H SER A 44 1.200 4.677 -5.194 1.00 0.56 H new ATOM 0 HA SER A 44 3.683 6.203 -5.260 1.00 0.63 H new ATOM 0 HB2 SER A 44 0.995 7.343 -6.034 1.00 0.80 H new ATOM 0 HB3 SER A 44 2.539 7.512 -6.845 1.00 0.80 H new ATOM 0 HG SER A 44 1.113 6.049 -7.970 1.00 1.66 H new ATOM 697 N VAL A 45 1.360 6.993 -3.111 1.00 0.45 N ATOM 698 CA VAL A 45 1.071 7.907 -1.962 1.00 0.44 C ATOM 699 C VAL A 45 1.819 7.436 -0.707 1.00 0.41 C ATOM 700 O VAL A 45 2.331 8.238 0.051 1.00 0.63 O ATOM 701 CB VAL A 45 -0.446 7.935 -1.695 1.00 0.49 C ATOM 702 CG1 VAL A 45 -0.942 6.543 -1.282 1.00 0.55 C ATOM 703 CG2 VAL A 45 -0.752 8.933 -0.572 1.00 0.51 C ATOM 0 H VAL A 45 0.723 6.203 -3.207 1.00 0.45 H new ATOM 0 HA VAL A 45 1.411 8.912 -2.211 1.00 0.44 H new ATOM 0 HB VAL A 45 -0.956 8.238 -2.609 1.00 0.49 H new ATOM 0 HG11 VAL A 45 -2.016 6.579 -1.097 1.00 0.55 H new ATOM 0 HG12 VAL A 45 -0.736 5.831 -2.081 1.00 0.55 H new ATOM 0 HG13 VAL A 45 -0.428 6.228 -0.374 1.00 0.55 H new ATOM 0 HG21 VAL A 45 -1.826 8.952 -0.384 1.00 0.51 H new ATOM 0 HG22 VAL A 45 -0.230 8.630 0.336 1.00 0.51 H new ATOM 0 HG23 VAL A 45 -0.418 9.927 -0.868 1.00 0.51 H new ATOM 713 N ILE A 46 1.868 6.149 -0.476 1.00 0.50 N ATOM 714 CA ILE A 46 2.562 5.628 0.740 1.00 0.57 C ATOM 715 C ILE A 46 4.083 5.799 0.591 1.00 0.52 C ATOM 716 O ILE A 46 4.763 6.193 1.521 1.00 0.62 O ATOM 717 CB ILE A 46 2.141 4.145 0.961 1.00 0.79 C ATOM 718 CG1 ILE A 46 1.483 4.015 2.340 1.00 1.40 C ATOM 719 CG2 ILE A 46 3.318 3.160 0.861 1.00 1.72 C ATOM 720 CD1 ILE A 46 0.357 2.980 2.278 1.00 1.48 C ATOM 0 H ILE A 46 1.457 5.436 -1.078 1.00 0.50 H new ATOM 0 HA ILE A 46 2.270 6.194 1.624 1.00 0.57 H new ATOM 0 HB ILE A 46 1.444 3.884 0.165 1.00 0.79 H new ATOM 0 HG12 ILE A 46 2.225 3.716 3.081 1.00 1.40 H new ATOM 0 HG13 ILE A 46 1.087 4.980 2.657 1.00 1.40 H new ATOM 0 HG21 ILE A 46 2.957 2.144 1.025 1.00 1.72 H new ATOM 0 HG22 ILE A 46 3.768 3.230 -0.129 1.00 1.72 H new ATOM 0 HG23 ILE A 46 4.064 3.406 1.617 1.00 1.72 H new ATOM 0 HD11 ILE A 46 -0.109 2.890 3.259 1.00 1.48 H new ATOM 0 HD12 ILE A 46 -0.389 3.298 1.550 1.00 1.48 H new ATOM 0 HD13 ILE A 46 0.766 2.015 1.980 1.00 1.48 H new ATOM 732 N ALA A 47 4.621 5.490 -0.562 1.00 0.50 N ATOM 733 CA ALA A 47 6.098 5.615 -0.768 1.00 0.50 C ATOM 734 C ALA A 47 6.561 7.034 -0.404 1.00 0.58 C ATOM 735 O ALA A 47 7.533 7.210 0.307 1.00 0.72 O ATOM 736 CB ALA A 47 6.430 5.306 -2.222 1.00 0.62 C ATOM 0 H ALA A 47 4.100 5.155 -1.373 1.00 0.50 H new ATOM 0 HA ALA A 47 6.618 4.907 -0.123 1.00 0.50 H new ATOM 0 HB1 ALA A 47 7.505 5.396 -2.377 1.00 0.62 H new ATOM 0 HB2 ALA A 47 6.113 4.291 -2.460 1.00 0.62 H new ATOM 0 HB3 ALA A 47 5.910 6.010 -2.872 1.00 0.62 H new ATOM 742 N LYS A 48 5.851 8.041 -0.847 1.00 0.60 N ATOM 743 CA LYS A 48 6.229 9.439 -0.478 1.00 0.78 C ATOM 744 C LYS A 48 5.942 9.611 1.021 1.00 0.85 C ATOM 745 O LYS A 48 6.634 10.314 1.731 1.00 1.02 O ATOM 746 CB LYS A 48 5.391 10.433 -1.295 1.00 0.88 C ATOM 747 CG LYS A 48 6.303 11.498 -1.910 1.00 1.77 C ATOM 748 CD LYS A 48 6.641 12.551 -0.854 1.00 3.54 C ATOM 749 CE LYS A 48 7.188 13.806 -1.539 1.00 4.07 C ATOM 750 NZ LYS A 48 8.221 14.435 -0.668 1.00 5.88 N ATOM 0 H LYS A 48 5.029 7.956 -1.446 1.00 0.60 H new ATOM 0 HA LYS A 48 7.282 9.627 -0.688 1.00 0.78 H new ATOM 0 HB2 LYS A 48 4.850 9.906 -2.081 1.00 0.88 H new ATOM 0 HB3 LYS A 48 4.645 10.905 -0.656 1.00 0.88 H new ATOM 0 HG2 LYS A 48 7.217 11.037 -2.285 1.00 1.77 H new ATOM 0 HG3 LYS A 48 5.810 11.967 -2.762 1.00 1.77 H new ATOM 0 HD2 LYS A 48 5.751 12.799 -0.275 1.00 3.54 H new ATOM 0 HD3 LYS A 48 7.377 12.156 -0.154 1.00 3.54 H new ATOM 0 HE2 LYS A 48 7.620 13.547 -2.506 1.00 4.07 H new ATOM 0 HE3 LYS A 48 6.379 14.511 -1.730 1.00 4.07 H new ATOM 0 HZ1 LYS A 48 8.594 15.288 -1.132 1.00 5.88 H new ATOM 0 HZ2 LYS A 48 7.794 14.695 0.244 1.00 5.88 H new ATOM 0 HZ3 LYS A 48 8.997 13.761 -0.507 1.00 5.88 H new ATOM 764 N TYR A 49 4.927 8.934 1.497 1.00 0.80 N ATOM 765 CA TYR A 49 4.552 8.980 2.941 1.00 0.96 C ATOM 766 C TYR A 49 5.761 8.542 3.793 1.00 0.91 C ATOM 767 O TYR A 49 6.594 7.804 3.308 1.00 0.92 O ATOM 768 CB TYR A 49 3.399 7.982 3.126 1.00 1.21 C ATOM 769 CG TYR A 49 2.446 8.405 4.214 1.00 1.02 C ATOM 770 CD1 TYR A 49 2.026 9.734 4.313 1.00 1.71 C ATOM 771 CD2 TYR A 49 1.972 7.451 5.122 1.00 1.91 C ATOM 772 CE1 TYR A 49 1.139 10.110 5.322 1.00 1.98 C ATOM 773 CE2 TYR A 49 1.078 7.830 6.129 1.00 1.90 C ATOM 774 CZ TYR A 49 0.664 9.161 6.229 1.00 1.41 C ATOM 775 OH TYR A 49 -0.217 9.538 7.222 1.00 1.80 O ATOM 0 H TYR A 49 4.328 8.336 0.928 1.00 0.80 H new ATOM 0 HA TYR A 49 4.256 9.983 3.248 1.00 0.96 H new ATOM 0 HB2 TYR A 49 2.854 7.882 2.187 1.00 1.21 H new ATOM 0 HB3 TYR A 49 3.806 7.000 3.365 1.00 1.21 H new ATOM 0 HD1 TYR A 49 2.388 10.469 3.609 1.00 1.71 H new ATOM 0 HD2 TYR A 49 2.296 6.424 5.045 1.00 1.91 H new ATOM 0 HE1 TYR A 49 0.819 11.138 5.402 1.00 1.98 H new ATOM 0 HE2 TYR A 49 0.708 7.095 6.828 1.00 1.90 H new ATOM 0 HH TYR A 49 -1.126 9.570 6.858 1.00 1.80 H new ATOM 785 N PRO A 50 5.840 8.986 5.041 1.00 0.99 N ATOM 786 CA PRO A 50 6.962 8.600 5.914 1.00 1.03 C ATOM 787 C PRO A 50 6.989 7.077 6.138 1.00 1.07 C ATOM 788 O PRO A 50 7.958 6.556 6.653 1.00 1.21 O ATOM 789 CB PRO A 50 6.722 9.346 7.234 1.00 1.17 C ATOM 790 CG PRO A 50 5.481 10.250 7.040 1.00 1.22 C ATOM 791 CD PRO A 50 4.860 9.896 5.680 1.00 1.15 C ATOM 0 HA PRO A 50 7.925 8.858 5.473 1.00 1.03 H new ATOM 0 HB2 PRO A 50 6.558 8.640 8.049 1.00 1.17 H new ATOM 0 HB3 PRO A 50 7.594 9.944 7.500 1.00 1.17 H new ATOM 0 HG2 PRO A 50 4.761 10.091 7.843 1.00 1.22 H new ATOM 0 HG3 PRO A 50 5.765 11.302 7.070 1.00 1.22 H new ATOM 0 HD2 PRO A 50 3.891 9.411 5.802 1.00 1.15 H new ATOM 0 HD3 PRO A 50 4.696 10.788 5.076 1.00 1.15 H new ATOM 799 N HIS A 51 5.948 6.355 5.753 1.00 1.05 N ATOM 800 CA HIS A 51 5.930 4.874 5.932 1.00 1.19 C ATOM 801 C HIS A 51 5.735 4.502 7.403 1.00 1.17 C ATOM 802 O HIS A 51 5.681 5.346 8.272 1.00 1.73 O ATOM 803 CB HIS A 51 7.226 4.228 5.425 1.00 1.62 C ATOM 804 CG HIS A 51 7.580 4.761 4.064 1.00 1.35 C ATOM 805 ND1 HIS A 51 8.431 5.841 3.891 1.00 2.03 N ATOM 806 CD2 HIS A 51 7.222 4.358 2.804 1.00 2.53 C ATOM 807 CE1 HIS A 51 8.557 6.046 2.567 1.00 2.76 C ATOM 808 NE2 HIS A 51 7.841 5.170 1.859 1.00 3.18 N ATOM 0 H HIS A 51 5.109 6.742 5.320 1.00 1.05 H new ATOM 0 HA HIS A 51 5.093 4.497 5.345 1.00 1.19 H new ATOM 0 HB2 HIS A 51 8.038 4.429 6.124 1.00 1.62 H new ATOM 0 HB3 HIS A 51 7.106 3.146 5.379 1.00 1.62 H new ATOM 0 HD1 HIS A 51 8.879 6.381 4.631 1.00 2.03 H new ATOM 0 HD2 HIS A 51 6.560 3.535 2.579 1.00 2.53 H new ATOM 0 HE1 HIS A 51 9.164 6.825 2.130 1.00 2.76 H new ATOM 816 N LYS A 52 5.635 3.222 7.664 1.00 1.12 N ATOM 817 CA LYS A 52 5.442 2.697 9.049 1.00 1.23 C ATOM 818 C LYS A 52 4.003 2.938 9.516 1.00 1.53 C ATOM 819 O LYS A 52 3.190 2.033 9.505 1.00 3.32 O ATOM 820 CB LYS A 52 6.440 3.339 10.025 1.00 1.55 C ATOM 821 CG LYS A 52 6.813 2.321 11.106 1.00 2.27 C ATOM 822 CD LYS A 52 5.703 2.268 12.165 1.00 3.54 C ATOM 823 CE LYS A 52 6.320 2.136 13.562 1.00 4.31 C ATOM 824 NZ LYS A 52 5.692 3.131 14.475 1.00 5.35 N ATOM 0 H LYS A 52 5.681 2.497 6.948 1.00 1.12 H new ATOM 0 HA LYS A 52 5.628 1.623 9.034 1.00 1.23 H new ATOM 0 HB2 LYS A 52 7.333 3.663 9.490 1.00 1.55 H new ATOM 0 HB3 LYS A 52 6.002 4.227 10.481 1.00 1.55 H new ATOM 0 HG2 LYS A 52 6.952 1.336 10.660 1.00 2.27 H new ATOM 0 HG3 LYS A 52 7.760 2.598 11.570 1.00 2.27 H new ATOM 0 HD2 LYS A 52 5.094 3.170 12.111 1.00 3.54 H new ATOM 0 HD3 LYS A 52 5.041 1.424 11.969 1.00 3.54 H new ATOM 0 HE2 LYS A 52 6.168 1.127 13.945 1.00 4.31 H new ATOM 0 HE3 LYS A 52 7.397 2.299 13.513 1.00 4.31 H new ATOM 0 HZ1 LYS A 52 6.340 3.338 15.262 1.00 5.35 H new ATOM 0 HZ2 LYS A 52 5.494 4.007 13.950 1.00 5.35 H new ATOM 0 HZ3 LYS A 52 4.803 2.744 14.851 1.00 5.35 H new ATOM 838 N ILE A 53 3.678 4.137 9.932 1.00 1.20 N ATOM 839 CA ILE A 53 2.284 4.422 10.403 1.00 1.32 C ATOM 840 C ILE A 53 1.947 3.517 11.593 1.00 1.40 C ATOM 841 O ILE A 53 1.629 2.354 11.426 1.00 1.64 O ATOM 842 CB ILE A 53 1.294 4.157 9.265 1.00 1.44 C ATOM 843 CG1 ILE A 53 1.722 4.946 8.026 1.00 2.18 C ATOM 844 CG2 ILE A 53 -0.106 4.597 9.692 1.00 2.66 C ATOM 845 CD1 ILE A 53 0.840 4.552 6.840 1.00 2.65 C ATOM 0 H ILE A 53 4.316 4.932 9.966 1.00 1.20 H new ATOM 0 HA ILE A 53 2.214 5.465 10.710 1.00 1.32 H new ATOM 0 HB ILE A 53 1.283 3.092 9.033 1.00 1.44 H new ATOM 0 HG12 ILE A 53 1.637 6.016 8.216 1.00 2.18 H new ATOM 0 HG13 ILE A 53 2.769 4.745 7.797 1.00 2.18 H new ATOM 0 HG21 ILE A 53 -0.810 4.408 8.881 1.00 2.66 H new ATOM 0 HG22 ILE A 53 -0.410 4.035 10.575 1.00 2.66 H new ATOM 0 HG23 ILE A 53 -0.098 5.662 9.924 1.00 2.66 H new ATOM 0 HD11 ILE A 53 1.145 5.114 5.957 1.00 2.65 H new ATOM 0 HD12 ILE A 53 0.947 3.485 6.646 1.00 2.65 H new ATOM 0 HD13 ILE A 53 -0.201 4.776 7.071 1.00 2.65 H new ATOM 857 N LYS A 54 2.020 4.040 12.792 1.00 1.52 N ATOM 858 CA LYS A 54 1.709 3.212 13.995 1.00 1.71 C ATOM 859 C LYS A 54 0.193 3.078 14.151 1.00 1.71 C ATOM 860 O LYS A 54 -0.308 2.039 14.536 1.00 2.12 O ATOM 861 CB LYS A 54 2.292 3.882 15.242 1.00 2.14 C ATOM 862 CG LYS A 54 2.333 2.872 16.391 1.00 3.15 C ATOM 863 CD LYS A 54 2.854 3.556 17.657 1.00 3.55 C ATOM 864 CE LYS A 54 2.661 2.625 18.855 1.00 4.82 C ATOM 865 NZ LYS A 54 1.349 2.911 19.502 1.00 5.41 N ATOM 0 H LYS A 54 2.282 5.006 12.988 1.00 1.52 H new ATOM 0 HA LYS A 54 2.149 2.222 13.874 1.00 1.71 H new ATOM 0 HB2 LYS A 54 3.296 4.253 15.033 1.00 2.14 H new ATOM 0 HB3 LYS A 54 1.686 4.744 15.522 1.00 2.14 H new ATOM 0 HG2 LYS A 54 1.337 2.467 16.568 1.00 3.15 H new ATOM 0 HG3 LYS A 54 2.976 2.032 16.128 1.00 3.15 H new ATOM 0 HD2 LYS A 54 3.909 3.804 17.542 1.00 3.55 H new ATOM 0 HD3 LYS A 54 2.323 4.493 17.822 1.00 3.55 H new ATOM 0 HE2 LYS A 54 2.699 1.585 18.531 1.00 4.82 H new ATOM 0 HE3 LYS A 54 3.470 2.765 19.572 1.00 4.82 H new ATOM 0 HZ1 LYS A 54 1.218 2.278 20.317 1.00 5.41 H new ATOM 0 HZ2 LYS A 54 1.329 3.899 19.825 1.00 5.41 H new ATOM 0 HZ3 LYS A 54 0.583 2.756 18.816 1.00 5.41 H new ATOM 879 N SER A 55 -0.538 4.123 13.856 1.00 1.72 N ATOM 880 CA SER A 55 -2.024 4.064 13.988 1.00 1.94 C ATOM 881 C SER A 55 -2.596 3.137 12.910 1.00 1.73 C ATOM 882 O SER A 55 -2.970 2.012 13.184 1.00 2.86 O ATOM 883 CB SER A 55 -2.606 5.471 13.826 1.00 2.25 C ATOM 884 OG SER A 55 -2.932 5.994 15.107 1.00 3.13 O ATOM 0 H SER A 55 -0.168 5.016 13.529 1.00 1.72 H new ATOM 0 HA SER A 55 -2.289 3.677 14.972 1.00 1.94 H new ATOM 0 HB2 SER A 55 -1.886 6.120 13.328 1.00 2.25 H new ATOM 0 HB3 SER A 55 -3.495 5.439 13.196 1.00 2.25 H new ATOM 0 HG SER A 55 -3.303 6.895 15.007 1.00 3.13 H new ATOM 890 N GLY A 56 -2.668 3.603 11.689 1.00 1.55 N ATOM 891 CA GLY A 56 -3.217 2.759 10.589 1.00 1.46 C ATOM 892 C GLY A 56 -4.247 3.564 9.797 1.00 1.17 C ATOM 893 O GLY A 56 -4.391 3.396 8.601 1.00 1.39 O ATOM 0 H GLY A 56 -2.368 4.536 11.407 1.00 1.55 H new ATOM 0 HA2 GLY A 56 -2.412 2.431 9.931 1.00 1.46 H new ATOM 0 HA3 GLY A 56 -3.679 1.861 11.000 1.00 1.46 H new ATOM 897 N ALA A 57 -4.961 4.440 10.458 1.00 1.02 N ATOM 898 CA ALA A 57 -5.985 5.267 9.753 1.00 1.12 C ATOM 899 C ALA A 57 -5.306 6.185 8.726 1.00 0.99 C ATOM 900 O ALA A 57 -5.955 6.724 7.848 1.00 1.13 O ATOM 901 CB ALA A 57 -6.737 6.123 10.774 1.00 1.33 C ATOM 0 H ALA A 57 -4.878 4.618 11.459 1.00 1.02 H new ATOM 0 HA ALA A 57 -6.682 4.606 9.237 1.00 1.12 H new ATOM 0 HB1 ALA A 57 -7.485 6.728 10.261 1.00 1.33 H new ATOM 0 HB2 ALA A 57 -7.229 5.475 11.500 1.00 1.33 H new ATOM 0 HB3 ALA A 57 -6.033 6.777 11.289 1.00 1.33 H new ATOM 907 N GLU A 58 -4.009 6.373 8.826 1.00 0.84 N ATOM 908 CA GLU A 58 -3.297 7.260 7.857 1.00 0.81 C ATOM 909 C GLU A 58 -3.515 6.758 6.424 1.00 0.73 C ATOM 910 O GLU A 58 -3.457 7.523 5.481 1.00 0.70 O ATOM 911 CB GLU A 58 -1.801 7.264 8.175 1.00 0.91 C ATOM 912 CG GLU A 58 -1.520 8.285 9.280 1.00 1.55 C ATOM 913 CD GLU A 58 -0.070 8.149 9.746 1.00 1.97 C ATOM 914 OE1 GLU A 58 0.792 7.994 8.897 1.00 2.97 O ATOM 915 OE2 GLU A 58 0.155 8.203 10.944 1.00 2.72 O ATOM 0 H GLU A 58 -3.415 5.949 9.539 1.00 0.84 H new ATOM 0 HA GLU A 58 -3.693 8.272 7.943 1.00 0.81 H new ATOM 0 HB2 GLU A 58 -1.483 6.271 8.492 1.00 0.91 H new ATOM 0 HB3 GLU A 58 -1.228 7.512 7.281 1.00 0.91 H new ATOM 0 HG2 GLU A 58 -1.701 9.295 8.911 1.00 1.55 H new ATOM 0 HG3 GLU A 58 -2.199 8.125 10.118 1.00 1.55 H new ATOM 922 N ALA A 59 -3.773 5.481 6.256 1.00 0.82 N ATOM 923 CA ALA A 59 -4.003 4.932 4.883 1.00 0.84 C ATOM 924 C ALA A 59 -5.207 5.638 4.253 1.00 0.79 C ATOM 925 O ALA A 59 -5.182 6.009 3.094 1.00 0.80 O ATOM 926 CB ALA A 59 -4.283 3.431 4.966 1.00 1.12 C ATOM 0 H ALA A 59 -3.834 4.797 7.011 1.00 0.82 H new ATOM 0 HA ALA A 59 -3.115 5.099 4.273 1.00 0.84 H new ATOM 0 HB1 ALA A 59 -4.450 3.036 3.964 1.00 1.12 H new ATOM 0 HB2 ALA A 59 -3.429 2.926 5.418 1.00 1.12 H new ATOM 0 HB3 ALA A 59 -5.170 3.260 5.576 1.00 1.12 H new ATOM 932 N LYS A 60 -6.254 5.835 5.016 1.00 0.94 N ATOM 933 CA LYS A 60 -7.459 6.531 4.476 1.00 1.05 C ATOM 934 C LYS A 60 -7.081 7.977 4.151 1.00 0.89 C ATOM 935 O LYS A 60 -7.547 8.549 3.184 1.00 1.05 O ATOM 936 CB LYS A 60 -8.577 6.513 5.520 1.00 1.31 C ATOM 937 CG LYS A 60 -9.511 5.331 5.248 1.00 1.75 C ATOM 938 CD LYS A 60 -10.087 4.819 6.570 1.00 1.83 C ATOM 939 CE LYS A 60 -11.440 5.482 6.828 1.00 2.37 C ATOM 940 NZ LYS A 60 -12.323 4.537 7.567 1.00 2.85 N ATOM 0 H LYS A 60 -6.324 5.543 5.991 1.00 0.94 H new ATOM 0 HA LYS A 60 -7.809 6.025 3.576 1.00 1.05 H new ATOM 0 HB2 LYS A 60 -8.153 6.432 6.521 1.00 1.31 H new ATOM 0 HB3 LYS A 60 -9.137 7.448 5.485 1.00 1.31 H new ATOM 0 HG2 LYS A 60 -10.318 5.637 4.582 1.00 1.75 H new ATOM 0 HG3 LYS A 60 -8.967 4.533 4.743 1.00 1.75 H new ATOM 0 HD2 LYS A 60 -10.202 3.736 6.533 1.00 1.83 H new ATOM 0 HD3 LYS A 60 -9.400 5.039 7.388 1.00 1.83 H new ATOM 0 HE2 LYS A 60 -11.305 6.397 7.405 1.00 2.37 H new ATOM 0 HE3 LYS A 60 -11.904 5.767 5.883 1.00 2.37 H new ATOM 0 HZ1 LYS A 60 -13.244 4.988 7.743 1.00 2.85 H new ATOM 0 HZ2 LYS A 60 -12.461 3.676 7.000 1.00 2.85 H new ATOM 0 HZ3 LYS A 60 -11.881 4.287 8.475 1.00 2.85 H new ATOM 954 N LYS A 61 -6.227 8.562 4.952 1.00 0.77 N ATOM 955 CA LYS A 61 -5.792 9.967 4.702 1.00 0.89 C ATOM 956 C LYS A 61 -5.051 10.036 3.360 1.00 0.86 C ATOM 957 O LYS A 61 -4.999 11.073 2.727 1.00 1.12 O ATOM 958 CB LYS A 61 -4.858 10.414 5.835 1.00 1.07 C ATOM 959 CG LYS A 61 -4.372 11.848 5.587 1.00 1.40 C ATOM 960 CD LYS A 61 -3.674 12.381 6.844 1.00 1.55 C ATOM 961 CE LYS A 61 -2.413 13.152 6.447 1.00 2.10 C ATOM 962 NZ LYS A 61 -1.755 13.691 7.670 1.00 2.76 N ATOM 0 H LYS A 61 -5.811 8.123 5.773 1.00 0.77 H new ATOM 0 HA LYS A 61 -6.661 10.625 4.668 1.00 0.89 H new ATOM 0 HB2 LYS A 61 -5.381 10.360 6.790 1.00 1.07 H new ATOM 0 HB3 LYS A 61 -4.004 9.739 5.900 1.00 1.07 H new ATOM 0 HG2 LYS A 61 -3.685 11.868 4.741 1.00 1.40 H new ATOM 0 HG3 LYS A 61 -5.215 12.488 5.328 1.00 1.40 H new ATOM 0 HD2 LYS A 61 -4.350 13.032 7.399 1.00 1.55 H new ATOM 0 HD3 LYS A 61 -3.413 11.554 7.505 1.00 1.55 H new ATOM 0 HE2 LYS A 61 -1.727 12.497 5.911 1.00 2.10 H new ATOM 0 HE3 LYS A 61 -2.670 13.967 5.770 1.00 2.10 H new ATOM 0 HZ1 LYS A 61 -0.898 14.215 7.401 1.00 2.76 H new ATOM 0 HZ2 LYS A 61 -2.410 14.330 8.164 1.00 2.76 H new ATOM 0 HZ3 LYS A 61 -1.497 12.905 8.300 1.00 2.76 H new ATOM 976 N LEU A 62 -4.476 8.940 2.925 1.00 0.77 N ATOM 977 CA LEU A 62 -3.735 8.935 1.627 1.00 0.86 C ATOM 978 C LEU A 62 -4.701 9.341 0.488 1.00 0.97 C ATOM 979 O LEU A 62 -5.614 8.598 0.187 1.00 1.28 O ATOM 980 CB LEU A 62 -3.188 7.525 1.345 1.00 1.11 C ATOM 981 CG LEU A 62 -2.432 6.970 2.567 1.00 1.53 C ATOM 982 CD1 LEU A 62 -1.828 5.612 2.207 1.00 1.87 C ATOM 983 CD2 LEU A 62 -1.302 7.921 2.988 1.00 1.62 C ATOM 0 H LEU A 62 -4.489 8.046 3.416 1.00 0.77 H new ATOM 0 HA LEU A 62 -2.906 9.641 1.682 1.00 0.86 H new ATOM 0 HB2 LEU A 62 -4.010 6.857 1.088 1.00 1.11 H new ATOM 0 HB3 LEU A 62 -2.521 7.556 0.484 1.00 1.11 H new ATOM 0 HG LEU A 62 -3.134 6.870 3.395 1.00 1.53 H new ATOM 0 HD11 LEU A 62 -1.291 5.213 3.068 1.00 1.87 H new ATOM 0 HD12 LEU A 62 -2.624 4.923 1.925 1.00 1.87 H new ATOM 0 HD13 LEU A 62 -1.138 5.731 1.372 1.00 1.87 H new ATOM 0 HD21 LEU A 62 -0.782 7.508 3.853 1.00 1.62 H new ATOM 0 HD22 LEU A 62 -0.599 8.038 2.164 1.00 1.62 H new ATOM 0 HD23 LEU A 62 -1.722 8.893 3.247 1.00 1.62 H new ATOM 995 N PRO A 63 -4.502 10.508 -0.114 1.00 1.17 N ATOM 996 CA PRO A 63 -5.392 10.971 -1.197 1.00 1.59 C ATOM 997 C PRO A 63 -5.355 10.001 -2.384 1.00 1.76 C ATOM 998 O PRO A 63 -4.315 9.482 -2.743 1.00 2.46 O ATOM 999 CB PRO A 63 -4.843 12.348 -1.607 1.00 2.00 C ATOM 1000 CG PRO A 63 -3.602 12.643 -0.728 1.00 1.95 C ATOM 1001 CD PRO A 63 -3.403 11.449 0.216 1.00 1.41 C ATOM 0 HA PRO A 63 -6.431 11.025 -0.873 1.00 1.59 H new ATOM 0 HB2 PRO A 63 -4.573 12.353 -2.663 1.00 2.00 H new ATOM 0 HB3 PRO A 63 -5.601 13.119 -1.468 1.00 2.00 H new ATOM 0 HG2 PRO A 63 -2.719 12.790 -1.350 1.00 1.95 H new ATOM 0 HG3 PRO A 63 -3.747 13.561 -0.158 1.00 1.95 H new ATOM 0 HD2 PRO A 63 -2.428 10.985 0.065 1.00 1.41 H new ATOM 0 HD3 PRO A 63 -3.450 11.760 1.260 1.00 1.41 H new ATOM 1009 N GLY A 64 -6.488 9.764 -2.994 1.00 2.33 N ATOM 1010 CA GLY A 64 -6.543 8.840 -4.166 1.00 2.79 C ATOM 1011 C GLY A 64 -6.301 7.388 -3.727 1.00 2.51 C ATOM 1012 O GLY A 64 -6.127 6.514 -4.556 1.00 2.59 O ATOM 0 H GLY A 64 -7.383 10.174 -2.728 1.00 2.33 H new ATOM 0 HA2 GLY A 64 -7.515 8.920 -4.653 1.00 2.79 H new ATOM 0 HA3 GLY A 64 -5.793 9.132 -4.901 1.00 2.79 H new ATOM 1016 N VAL A 65 -6.288 7.117 -2.442 1.00 2.40 N ATOM 1017 CA VAL A 65 -6.056 5.715 -1.973 1.00 2.30 C ATOM 1018 C VAL A 65 -6.788 5.500 -0.647 1.00 2.03 C ATOM 1019 O VAL A 65 -6.874 6.394 0.173 1.00 2.60 O ATOM 1020 CB VAL A 65 -4.554 5.466 -1.772 1.00 2.59 C ATOM 1021 CG1 VAL A 65 -4.305 3.964 -1.623 1.00 2.55 C ATOM 1022 CG2 VAL A 65 -3.769 5.984 -2.985 1.00 3.11 C ATOM 0 H VAL A 65 -6.428 7.804 -1.701 1.00 2.40 H new ATOM 0 HA VAL A 65 -6.434 5.020 -2.723 1.00 2.30 H new ATOM 0 HB VAL A 65 -4.223 5.991 -0.876 1.00 2.59 H new ATOM 0 HG11 VAL A 65 -3.239 3.784 -1.480 1.00 2.55 H new ATOM 0 HG12 VAL A 65 -4.855 3.588 -0.761 1.00 2.55 H new ATOM 0 HG13 VAL A 65 -4.643 3.448 -2.522 1.00 2.55 H new ATOM 0 HG21 VAL A 65 -2.705 5.803 -2.834 1.00 3.11 H new ATOM 0 HG22 VAL A 65 -4.102 5.463 -3.883 1.00 3.11 H new ATOM 0 HG23 VAL A 65 -3.942 7.054 -3.101 1.00 3.11 H new ATOM 1032 N GLY A 66 -7.312 4.319 -0.432 1.00 1.63 N ATOM 1033 CA GLY A 66 -8.041 4.039 0.841 1.00 1.87 C ATOM 1034 C GLY A 66 -9.309 3.236 0.542 1.00 1.69 C ATOM 1035 O GLY A 66 -10.372 3.527 1.058 1.00 2.73 O ATOM 0 H GLY A 66 -7.266 3.536 -1.085 1.00 1.63 H new ATOM 0 HA2 GLY A 66 -7.399 3.483 1.524 1.00 1.87 H new ATOM 0 HA3 GLY A 66 -8.300 4.975 1.337 1.00 1.87 H new ATOM 1039 N THR A 67 -9.201 2.226 -0.283 1.00 1.87 N ATOM 1040 CA THR A 67 -10.394 1.396 -0.618 1.00 2.40 C ATOM 1041 C THR A 67 -10.036 -0.084 -0.466 1.00 2.01 C ATOM 1042 O THR A 67 -9.698 -0.751 -1.424 1.00 3.29 O ATOM 1043 CB THR A 67 -10.823 1.674 -2.062 1.00 3.52 C ATOM 1044 OG1 THR A 67 -9.678 2.003 -2.837 1.00 4.32 O ATOM 1045 CG2 THR A 67 -11.811 2.840 -2.086 1.00 4.35 C ATOM 0 H THR A 67 -8.335 1.941 -0.740 1.00 1.87 H new ATOM 0 HA THR A 67 -11.214 1.645 0.055 1.00 2.40 H new ATOM 0 HB THR A 67 -11.302 0.788 -2.478 1.00 3.52 H new ATOM 0 HG1 THR A 67 -9.949 2.180 -3.762 1.00 4.32 H new ATOM 0 HG21 THR A 67 -12.116 3.037 -3.114 1.00 4.35 H new ATOM 0 HG22 THR A 67 -12.688 2.587 -1.490 1.00 4.35 H new ATOM 0 HG23 THR A 67 -11.335 3.729 -1.672 1.00 4.35 H new ATOM 1053 N LYS A 68 -10.101 -0.594 0.744 1.00 1.33 N ATOM 1054 CA LYS A 68 -9.761 -2.036 1.012 1.00 1.27 C ATOM 1055 C LYS A 68 -8.236 -2.257 0.988 1.00 1.06 C ATOM 1056 O LYS A 68 -7.770 -3.349 1.256 1.00 1.07 O ATOM 1057 CB LYS A 68 -10.428 -2.955 -0.022 1.00 1.62 C ATOM 1058 CG LYS A 68 -10.717 -4.316 0.614 1.00 2.18 C ATOM 1059 CD LYS A 68 -12.005 -4.893 0.025 1.00 2.56 C ATOM 1060 CE LYS A 68 -13.202 -4.415 0.850 1.00 3.86 C ATOM 1061 NZ LYS A 68 -14.409 -4.344 -0.023 1.00 4.74 N ATOM 0 H LYS A 68 -10.379 -0.066 1.571 1.00 1.33 H new ATOM 0 HA LYS A 68 -10.138 -2.283 2.004 1.00 1.27 H new ATOM 0 HB2 LYS A 68 -11.354 -2.505 -0.380 1.00 1.62 H new ATOM 0 HB3 LYS A 68 -9.778 -3.077 -0.888 1.00 1.62 H new ATOM 0 HG2 LYS A 68 -9.885 -4.997 0.434 1.00 2.18 H new ATOM 0 HG3 LYS A 68 -10.814 -4.211 1.695 1.00 2.18 H new ATOM 0 HD2 LYS A 68 -12.116 -4.578 -1.013 1.00 2.56 H new ATOM 0 HD3 LYS A 68 -11.961 -5.982 0.025 1.00 2.56 H new ATOM 0 HE2 LYS A 68 -13.380 -5.097 1.681 1.00 3.86 H new ATOM 0 HE3 LYS A 68 -12.993 -3.436 1.281 1.00 3.86 H new ATOM 0 HZ1 LYS A 68 -15.223 -4.019 0.536 1.00 4.74 H new ATOM 0 HZ2 LYS A 68 -14.236 -3.677 -0.802 1.00 4.74 H new ATOM 0 HZ3 LYS A 68 -14.611 -5.287 -0.413 1.00 4.74 H new ATOM 1075 N ILE A 69 -7.455 -1.244 0.682 1.00 1.18 N ATOM 1076 CA ILE A 69 -5.973 -1.416 0.663 1.00 1.00 C ATOM 1077 C ILE A 69 -5.412 -1.063 2.053 1.00 0.85 C ATOM 1078 O ILE A 69 -4.369 -1.546 2.450 1.00 0.77 O ATOM 1079 CB ILE A 69 -5.381 -0.535 -0.482 1.00 0.98 C ATOM 1080 CG1 ILE A 69 -4.630 -1.436 -1.474 1.00 1.13 C ATOM 1081 CG2 ILE A 69 -4.425 0.565 0.025 1.00 2.30 C ATOM 1082 CD1 ILE A 69 -3.455 -2.130 -0.774 1.00 3.21 C ATOM 0 H ILE A 69 -7.785 -0.308 0.445 1.00 1.18 H new ATOM 0 HA ILE A 69 -5.689 -2.448 0.456 1.00 1.00 H new ATOM 0 HB ILE A 69 -6.220 -0.031 -0.961 1.00 0.98 H new ATOM 0 HG12 ILE A 69 -5.310 -2.182 -1.885 1.00 1.13 H new ATOM 0 HG13 ILE A 69 -4.264 -0.842 -2.311 1.00 1.13 H new ATOM 0 HG21 ILE A 69 -4.050 1.140 -0.822 1.00 2.30 H new ATOM 0 HG22 ILE A 69 -4.961 1.228 0.705 1.00 2.30 H new ATOM 0 HG23 ILE A 69 -3.588 0.106 0.551 1.00 2.30 H new ATOM 0 HD11 ILE A 69 -2.931 -2.766 -1.487 1.00 3.21 H new ATOM 0 HD12 ILE A 69 -2.768 -1.378 -0.384 1.00 3.21 H new ATOM 0 HD13 ILE A 69 -3.830 -2.740 0.048 1.00 3.21 H new ATOM 1094 N ALA A 70 -6.101 -0.221 2.789 1.00 0.89 N ATOM 1095 CA ALA A 70 -5.623 0.171 4.151 1.00 0.84 C ATOM 1096 C ALA A 70 -5.397 -1.083 5.002 1.00 0.74 C ATOM 1097 O ALA A 70 -4.545 -1.108 5.873 1.00 0.71 O ATOM 1098 CB ALA A 70 -6.678 1.059 4.813 1.00 0.99 C ATOM 0 H ALA A 70 -6.978 0.213 2.501 1.00 0.89 H new ATOM 0 HA ALA A 70 -4.683 0.716 4.066 1.00 0.84 H new ATOM 0 HB1 ALA A 70 -6.337 1.349 5.807 1.00 0.99 H new ATOM 0 HB2 ALA A 70 -6.834 1.952 4.208 1.00 0.99 H new ATOM 0 HB3 ALA A 70 -7.615 0.509 4.897 1.00 0.99 H new ATOM 1104 N GLU A 71 -6.145 -2.125 4.745 1.00 0.76 N ATOM 1105 CA GLU A 71 -5.974 -3.387 5.523 1.00 0.75 C ATOM 1106 C GLU A 71 -4.604 -3.984 5.202 1.00 0.65 C ATOM 1107 O GLU A 71 -3.899 -4.449 6.078 1.00 0.66 O ATOM 1108 CB GLU A 71 -7.071 -4.381 5.134 1.00 0.88 C ATOM 1109 CG GLU A 71 -7.212 -5.441 6.229 1.00 1.62 C ATOM 1110 CD GLU A 71 -8.158 -4.929 7.318 1.00 2.28 C ATOM 1111 OE1 GLU A 71 -7.991 -3.794 7.734 1.00 3.47 O ATOM 1112 OE2 GLU A 71 -9.032 -5.680 7.717 1.00 2.90 O ATOM 0 H GLU A 71 -6.869 -2.155 4.027 1.00 0.76 H new ATOM 0 HA GLU A 71 -6.044 -3.177 6.590 1.00 0.75 H new ATOM 0 HB2 GLU A 71 -8.017 -3.858 4.995 1.00 0.88 H new ATOM 0 HB3 GLU A 71 -6.826 -4.855 4.184 1.00 0.88 H new ATOM 0 HG2 GLU A 71 -7.597 -6.368 5.805 1.00 1.62 H new ATOM 0 HG3 GLU A 71 -6.236 -5.668 6.658 1.00 1.62 H new ATOM 1119 N LYS A 72 -4.221 -3.968 3.950 1.00 0.69 N ATOM 1120 CA LYS A 72 -2.893 -4.526 3.558 1.00 0.75 C ATOM 1121 C LYS A 72 -1.786 -3.698 4.210 1.00 0.66 C ATOM 1122 O LYS A 72 -0.755 -4.217 4.593 1.00 0.76 O ATOM 1123 CB LYS A 72 -2.745 -4.473 2.034 1.00 0.92 C ATOM 1124 CG LYS A 72 -3.719 -5.465 1.381 1.00 1.76 C ATOM 1125 CD LYS A 72 -2.974 -6.334 0.363 1.00 1.57 C ATOM 1126 CE LYS A 72 -2.593 -7.668 1.009 1.00 1.79 C ATOM 1127 NZ LYS A 72 -1.404 -8.236 0.312 1.00 2.63 N ATOM 0 H LYS A 72 -4.774 -3.591 3.180 1.00 0.69 H new ATOM 0 HA LYS A 72 -2.818 -5.561 3.891 1.00 0.75 H new ATOM 0 HB2 LYS A 72 -2.945 -3.463 1.675 1.00 0.92 H new ATOM 0 HB3 LYS A 72 -1.721 -4.715 1.750 1.00 0.92 H new ATOM 0 HG2 LYS A 72 -4.176 -6.095 2.144 1.00 1.76 H new ATOM 0 HG3 LYS A 72 -4.527 -4.924 0.888 1.00 1.76 H new ATOM 0 HD2 LYS A 72 -3.602 -6.508 -0.511 1.00 1.57 H new ATOM 0 HD3 LYS A 72 -2.079 -5.818 0.015 1.00 1.57 H new ATOM 0 HE2 LYS A 72 -2.373 -7.522 2.067 1.00 1.79 H new ATOM 0 HE3 LYS A 72 -3.429 -8.365 0.951 1.00 1.79 H new ATOM 0 HZ1 LYS A 72 -0.912 -8.897 0.947 1.00 2.63 H new ATOM 0 HZ2 LYS A 72 -1.712 -8.741 -0.543 1.00 2.63 H new ATOM 0 HZ3 LYS A 72 -0.757 -7.466 0.045 1.00 2.63 H new ATOM 1141 N ILE A 73 -1.998 -2.412 4.350 1.00 0.58 N ATOM 1142 CA ILE A 73 -0.964 -1.543 4.990 1.00 0.54 C ATOM 1143 C ILE A 73 -0.764 -1.995 6.437 1.00 0.52 C ATOM 1144 O ILE A 73 0.315 -1.889 6.986 1.00 0.60 O ATOM 1145 CB ILE A 73 -1.424 -0.079 4.956 1.00 0.61 C ATOM 1146 CG1 ILE A 73 -1.783 0.331 3.516 1.00 0.87 C ATOM 1147 CG2 ILE A 73 -0.303 0.824 5.475 1.00 0.63 C ATOM 1148 CD1 ILE A 73 -0.572 0.147 2.590 1.00 0.80 C ATOM 0 H ILE A 73 -2.843 -1.927 4.048 1.00 0.58 H new ATOM 0 HA ILE A 73 -0.022 -1.627 4.447 1.00 0.54 H new ATOM 0 HB ILE A 73 -2.305 0.028 5.589 1.00 0.61 H new ATOM 0 HG12 ILE A 73 -2.618 -0.271 3.157 1.00 0.87 H new ATOM 0 HG13 ILE A 73 -2.108 1.371 3.498 1.00 0.87 H new ATOM 0 HG21 ILE A 73 -0.632 1.863 5.450 1.00 0.63 H new ATOM 0 HG22 ILE A 73 -0.057 0.546 6.500 1.00 0.63 H new ATOM 0 HG23 ILE A 73 0.579 0.707 4.845 1.00 0.63 H new ATOM 0 HD11 ILE A 73 -0.842 0.441 1.576 1.00 0.80 H new ATOM 0 HD12 ILE A 73 0.252 0.768 2.941 1.00 0.80 H new ATOM 0 HD13 ILE A 73 -0.266 -0.899 2.595 1.00 0.80 H new ATOM 1160 N ASP A 74 -1.796 -2.519 7.047 1.00 0.64 N ATOM 1161 CA ASP A 74 -1.673 -3.009 8.451 1.00 0.83 C ATOM 1162 C ASP A 74 -1.138 -4.450 8.440 1.00 0.94 C ATOM 1163 O ASP A 74 -0.628 -4.935 9.431 1.00 1.14 O ATOM 1164 CB ASP A 74 -3.047 -2.978 9.123 1.00 0.88 C ATOM 1165 CG ASP A 74 -3.380 -1.544 9.538 1.00 1.42 C ATOM 1166 OD1 ASP A 74 -2.470 -0.839 9.943 1.00 2.43 O ATOM 1167 OD2 ASP A 74 -4.538 -1.174 9.444 1.00 2.43 O ATOM 0 H ASP A 74 -2.721 -2.629 6.631 1.00 0.64 H new ATOM 0 HA ASP A 74 -0.986 -2.369 9.004 1.00 0.83 H new ATOM 0 HB2 ASP A 74 -3.807 -3.356 8.439 1.00 0.88 H new ATOM 0 HB3 ASP A 74 -3.051 -3.631 9.996 1.00 0.88 H new ATOM 1172 N GLU A 75 -1.258 -5.140 7.328 1.00 0.91 N ATOM 1173 CA GLU A 75 -0.766 -6.545 7.249 1.00 1.13 C ATOM 1174 C GLU A 75 0.760 -6.580 7.381 1.00 1.27 C ATOM 1175 O GLU A 75 1.307 -7.447 8.037 1.00 1.48 O ATOM 1176 CB GLU A 75 -1.171 -7.151 5.904 1.00 1.18 C ATOM 1177 CG GLU A 75 -1.219 -8.675 6.025 1.00 1.57 C ATOM 1178 CD GLU A 75 -1.075 -9.304 4.638 1.00 2.75 C ATOM 1179 OE1 GLU A 75 -2.064 -9.351 3.925 1.00 3.34 O ATOM 1180 OE2 GLU A 75 0.022 -9.725 4.311 1.00 3.95 O ATOM 0 H GLU A 75 -1.679 -4.784 6.470 1.00 0.91 H new ATOM 0 HA GLU A 75 -1.207 -7.121 8.063 1.00 1.13 H new ATOM 0 HB2 GLU A 75 -2.145 -6.769 5.600 1.00 1.18 H new ATOM 0 HB3 GLU A 75 -0.459 -6.859 5.132 1.00 1.18 H new ATOM 0 HG2 GLU A 75 -0.419 -9.024 6.678 1.00 1.57 H new ATOM 0 HG3 GLU A 75 -2.160 -8.984 6.480 1.00 1.57 H new ATOM 1187 N PHE A 76 1.454 -5.647 6.767 1.00 1.21 N ATOM 1188 CA PHE A 76 2.954 -5.648 6.874 1.00 1.41 C ATOM 1189 C PHE A 76 3.351 -4.885 8.138 1.00 1.41 C ATOM 1190 O PHE A 76 4.346 -5.181 8.773 1.00 1.51 O ATOM 1191 CB PHE A 76 3.656 -4.953 5.667 1.00 1.72 C ATOM 1192 CG PHE A 76 2.702 -4.582 4.552 1.00 1.34 C ATOM 1193 CD1 PHE A 76 1.972 -5.565 3.884 1.00 2.54 C ATOM 1194 CD2 PHE A 76 2.564 -3.235 4.188 1.00 1.83 C ATOM 1195 CE1 PHE A 76 1.101 -5.205 2.850 1.00 2.59 C ATOM 1196 CE2 PHE A 76 1.695 -2.873 3.157 1.00 2.31 C ATOM 1197 CZ PHE A 76 0.961 -3.859 2.486 1.00 2.01 C ATOM 0 H PHE A 76 1.056 -4.895 6.204 1.00 1.21 H new ATOM 0 HA PHE A 76 3.271 -6.691 6.894 1.00 1.41 H new ATOM 0 HB2 PHE A 76 4.161 -4.053 6.018 1.00 1.72 H new ATOM 0 HB3 PHE A 76 4.425 -5.616 5.272 1.00 1.72 H new ATOM 0 HD1 PHE A 76 2.079 -6.602 4.165 1.00 2.54 H new ATOM 0 HD2 PHE A 76 3.131 -2.476 4.706 1.00 1.83 H new ATOM 0 HE1 PHE A 76 0.536 -5.965 2.332 1.00 2.59 H new ATOM 0 HE2 PHE A 76 1.589 -1.835 2.878 1.00 2.31 H new ATOM 0 HZ PHE A 76 0.287 -3.582 1.688 1.00 2.01 H new ATOM 1207 N LEU A 77 2.596 -3.877 8.473 1.00 1.39 N ATOM 1208 CA LEU A 77 2.924 -3.038 9.657 1.00 1.54 C ATOM 1209 C LEU A 77 2.228 -3.588 10.905 1.00 1.51 C ATOM 1210 O LEU A 77 2.869 -4.067 11.822 1.00 2.47 O ATOM 1211 CB LEU A 77 2.461 -1.599 9.382 1.00 1.67 C ATOM 1212 CG LEU A 77 3.406 -0.902 8.381 1.00 1.58 C ATOM 1213 CD1 LEU A 77 4.816 -0.811 8.967 1.00 2.57 C ATOM 1214 CD2 LEU A 77 3.470 -1.676 7.061 1.00 3.20 C ATOM 0 H LEU A 77 1.755 -3.596 7.970 1.00 1.39 H new ATOM 0 HA LEU A 77 4.000 -3.053 9.833 1.00 1.54 H new ATOM 0 HB2 LEU A 77 1.446 -1.608 8.985 1.00 1.67 H new ATOM 0 HB3 LEU A 77 2.433 -1.036 10.315 1.00 1.67 H new ATOM 0 HG LEU A 77 3.015 0.098 8.192 1.00 1.58 H new ATOM 0 HD11 LEU A 77 5.476 -0.318 8.253 1.00 2.57 H new ATOM 0 HD12 LEU A 77 4.789 -0.237 9.893 1.00 2.57 H new ATOM 0 HD13 LEU A 77 5.190 -1.814 9.173 1.00 2.57 H new ATOM 0 HD21 LEU A 77 4.142 -1.165 6.372 1.00 3.20 H new ATOM 0 HD22 LEU A 77 3.840 -2.684 7.248 1.00 3.20 H new ATOM 0 HD23 LEU A 77 2.474 -1.730 6.622 1.00 3.20 H new ATOM 1226 N ALA A 78 0.922 -3.517 10.950 1.00 1.52 N ATOM 1227 CA ALA A 78 0.169 -4.026 12.139 1.00 1.62 C ATOM 1228 C ALA A 78 0.520 -5.497 12.409 1.00 1.87 C ATOM 1229 O ALA A 78 0.361 -5.984 13.512 1.00 2.07 O ATOM 1230 CB ALA A 78 -1.332 -3.905 11.875 1.00 2.45 C ATOM 0 H ALA A 78 0.340 -3.126 10.209 1.00 1.52 H new ATOM 0 HA ALA A 78 0.445 -3.433 13.011 1.00 1.62 H new ATOM 0 HB1 ALA A 78 -1.884 -4.275 12.739 1.00 2.45 H new ATOM 0 HB2 ALA A 78 -1.588 -2.860 11.701 1.00 2.45 H new ATOM 0 HB3 ALA A 78 -1.596 -4.494 10.997 1.00 2.45 H new ATOM 1236 N THR A 79 0.997 -6.205 11.413 1.00 2.45 N ATOM 1237 CA THR A 79 1.356 -7.641 11.614 1.00 3.30 C ATOM 1238 C THR A 79 2.741 -7.907 11.014 1.00 3.86 C ATOM 1239 O THR A 79 2.933 -8.835 10.249 1.00 5.12 O ATOM 1240 CB THR A 79 0.312 -8.527 10.925 1.00 4.43 C ATOM 1241 OG1 THR A 79 -0.950 -7.876 10.954 1.00 5.15 O ATOM 1242 CG2 THR A 79 0.214 -9.866 11.657 1.00 4.88 C ATOM 0 H THR A 79 1.153 -5.849 10.470 1.00 2.45 H new ATOM 0 HA THR A 79 1.375 -7.870 12.679 1.00 3.30 H new ATOM 0 HB THR A 79 0.608 -8.702 9.891 1.00 4.43 H new ATOM 0 HG1 THR A 79 -1.619 -8.440 10.512 1.00 5.15 H new ATOM 0 HG21 THR A 79 -0.529 -10.495 11.166 1.00 4.88 H new ATOM 0 HG22 THR A 79 1.183 -10.364 11.635 1.00 4.88 H new ATOM 0 HG23 THR A 79 -0.083 -9.694 12.692 1.00 4.88 H new ATOM 1250 N GLY A 80 3.709 -7.094 11.357 1.00 3.55 N ATOM 1251 CA GLY A 80 5.086 -7.287 10.814 1.00 4.54 C ATOM 1252 C GLY A 80 6.031 -7.698 11.944 1.00 4.96 C ATOM 1253 O GLY A 80 6.947 -8.474 11.744 1.00 5.93 O ATOM 0 H GLY A 80 3.603 -6.303 11.992 1.00 3.55 H new ATOM 0 HA2 GLY A 80 5.078 -8.052 10.037 1.00 4.54 H new ATOM 0 HA3 GLY A 80 5.437 -6.365 10.350 1.00 4.54 H new ATOM 1257 N LYS A 81 5.816 -7.182 13.128 1.00 4.85 N ATOM 1258 CA LYS A 81 6.701 -7.538 14.277 1.00 5.94 C ATOM 1259 C LYS A 81 5.871 -8.195 15.383 1.00 6.28 C ATOM 1260 O LYS A 81 6.315 -9.124 16.031 1.00 6.78 O ATOM 1261 CB LYS A 81 7.372 -6.274 14.821 1.00 6.79 C ATOM 1262 CG LYS A 81 6.307 -5.225 15.153 1.00 6.95 C ATOM 1263 CD LYS A 81 6.985 -3.965 15.695 1.00 8.16 C ATOM 1264 CE LYS A 81 7.650 -4.275 17.039 1.00 8.83 C ATOM 1265 NZ LYS A 81 9.102 -4.540 16.828 1.00 9.80 N ATOM 0 H LYS A 81 5.064 -6.529 13.348 1.00 4.85 H new ATOM 0 HA LYS A 81 7.467 -8.236 13.938 1.00 5.94 H new ATOM 0 HB2 LYS A 81 7.951 -6.513 15.713 1.00 6.79 H new ATOM 0 HB3 LYS A 81 8.071 -5.876 14.085 1.00 6.79 H new ATOM 0 HG2 LYS A 81 5.728 -4.985 14.262 1.00 6.95 H new ATOM 0 HG3 LYS A 81 5.608 -5.621 15.890 1.00 6.95 H new ATOM 0 HD2 LYS A 81 7.729 -3.606 14.984 1.00 8.16 H new ATOM 0 HD3 LYS A 81 6.251 -3.169 15.817 1.00 8.16 H new ATOM 0 HE2 LYS A 81 7.518 -3.437 17.723 1.00 8.83 H new ATOM 0 HE3 LYS A 81 7.175 -5.141 17.500 1.00 8.83 H new ATOM 0 HZ1 LYS A 81 9.384 -5.381 17.371 1.00 9.80 H new ATOM 0 HZ2 LYS A 81 9.282 -4.705 15.817 1.00 9.80 H new ATOM 0 HZ3 LYS A 81 9.655 -3.720 17.149 1.00 9.80 H new ATOM 1279 N LEU A 82 4.671 -7.719 15.603 1.00 6.76 N ATOM 1280 CA LEU A 82 3.809 -8.313 16.665 1.00 7.74 C ATOM 1281 C LEU A 82 3.155 -9.590 16.133 1.00 8.45 C ATOM 1282 O LEU A 82 3.145 -9.841 14.943 1.00 8.76 O ATOM 1283 CB LEU A 82 2.722 -7.312 17.064 1.00 8.67 C ATOM 1284 CG LEU A 82 3.197 -6.495 18.268 1.00 9.20 C ATOM 1285 CD1 LEU A 82 2.210 -5.357 18.536 1.00 10.41 C ATOM 1286 CD2 LEU A 82 3.275 -7.402 19.499 1.00 9.70 C ATOM 0 H LEU A 82 4.252 -6.943 15.091 1.00 6.76 H new ATOM 0 HA LEU A 82 4.419 -8.550 17.536 1.00 7.74 H new ATOM 0 HB2 LEU A 82 2.498 -6.650 16.228 1.00 8.67 H new ATOM 0 HB3 LEU A 82 1.800 -7.839 17.310 1.00 8.67 H new ATOM 0 HG LEU A 82 4.182 -6.078 18.058 1.00 9.20 H new ATOM 0 HD11 LEU A 82 2.549 -4.776 19.394 1.00 10.41 H new ATOM 0 HD12 LEU A 82 2.153 -4.711 17.660 1.00 10.41 H new ATOM 0 HD13 LEU A 82 1.224 -5.772 18.746 1.00 10.41 H new ATOM 0 HD21 LEU A 82 3.613 -6.822 20.358 1.00 9.70 H new ATOM 0 HD22 LEU A 82 2.289 -7.818 19.708 1.00 9.70 H new ATOM 0 HD23 LEU A 82 3.978 -8.213 19.309 1.00 9.70 H new ATOM 1298 N ARG A 83 2.612 -10.395 17.009 1.00 9.20 N ATOM 1299 CA ARG A 83 1.958 -11.660 16.564 1.00 10.31 C ATOM 1300 C ARG A 83 0.487 -11.647 16.986 1.00 11.52 C ATOM 1301 O ARG A 83 0.139 -12.084 18.066 1.00 12.05 O ATOM 1302 CB ARG A 83 2.665 -12.854 17.209 1.00 10.70 C ATOM 1303 CG ARG A 83 3.732 -13.393 16.254 1.00 10.71 C ATOM 1304 CD ARG A 83 3.965 -14.878 16.535 1.00 11.51 C ATOM 1305 NE ARG A 83 4.479 -15.045 17.931 1.00 12.12 N ATOM 1306 CZ ARG A 83 4.494 -16.224 18.521 1.00 13.02 C ATOM 1307 NH1 ARG A 83 4.064 -17.304 17.910 1.00 13.45 N ATOM 1308 NH2 ARG A 83 4.948 -16.319 19.740 1.00 13.85 N ATOM 0 H ARG A 83 2.594 -10.230 18.015 1.00 9.20 H new ATOM 0 HA ARG A 83 2.024 -11.743 15.479 1.00 10.31 H new ATOM 0 HB2 ARG A 83 3.124 -12.553 18.151 1.00 10.70 H new ATOM 0 HB3 ARG A 83 1.942 -13.636 17.442 1.00 10.70 H new ATOM 0 HG2 ARG A 83 3.414 -13.253 15.221 1.00 10.71 H new ATOM 0 HG3 ARG A 83 4.662 -12.838 16.380 1.00 10.71 H new ATOM 0 HD2 ARG A 83 3.036 -15.433 16.409 1.00 11.51 H new ATOM 0 HD3 ARG A 83 4.680 -15.287 15.821 1.00 11.51 H new ATOM 0 HE ARG A 83 4.825 -14.229 18.436 1.00 12.12 H new ATOM 0 HH11 ARG A 83 3.708 -17.243 16.956 1.00 13.45 H new ATOM 0 HH12 ARG A 83 4.087 -18.204 18.389 1.00 13.45 H new ATOM 0 HH21 ARG A 83 5.286 -15.487 20.225 1.00 13.85 H new ATOM 0 HH22 ARG A 83 4.965 -17.225 20.209 1.00 13.85 H new ATOM 1322 N LYS A 84 -0.379 -11.150 16.136 1.00 12.35 N ATOM 1323 CA LYS A 84 -1.838 -11.098 16.469 1.00 13.90 C ATOM 1324 C LYS A 84 -2.065 -10.159 17.656 1.00 14.71 C ATOM 1325 O LYS A 84 -1.480 -10.324 18.711 1.00 14.83 O ATOM 1326 CB LYS A 84 -2.343 -12.502 16.823 1.00 14.61 C ATOM 1327 CG LYS A 84 -3.868 -12.542 16.697 1.00 15.94 C ATOM 1328 CD LYS A 84 -4.347 -13.994 16.761 1.00 16.81 C ATOM 1329 CE LYS A 84 -4.661 -14.365 18.211 1.00 17.56 C ATOM 1330 NZ LYS A 84 -4.593 -15.846 18.370 1.00 18.16 N ATOM 0 H LYS A 84 -0.136 -10.775 15.219 1.00 12.35 H new ATOM 0 HA LYS A 84 -2.386 -10.726 15.603 1.00 13.90 H new ATOM 0 HB2 LYS A 84 -1.893 -13.240 16.159 1.00 14.61 H new ATOM 0 HB3 LYS A 84 -2.044 -12.762 17.838 1.00 14.61 H new ATOM 0 HG2 LYS A 84 -4.325 -11.961 17.498 1.00 15.94 H new ATOM 0 HG3 LYS A 84 -4.178 -12.087 15.756 1.00 15.94 H new ATOM 0 HD2 LYS A 84 -5.234 -14.123 16.141 1.00 16.81 H new ATOM 0 HD3 LYS A 84 -3.581 -14.659 16.362 1.00 16.81 H new ATOM 0 HE2 LYS A 84 -3.951 -13.883 18.883 1.00 17.56 H new ATOM 0 HE3 LYS A 84 -5.653 -14.004 18.484 1.00 17.56 H new ATOM 0 HZ1 LYS A 84 -4.806 -16.099 19.356 1.00 18.16 H new ATOM 0 HZ2 LYS A 84 -5.287 -16.295 17.739 1.00 18.16 H new ATOM 0 HZ3 LYS A 84 -3.638 -16.178 18.126 1.00 18.16 H new ATOM 1344 N LEU A 85 -2.913 -9.176 17.490 1.00 15.58 N ATOM 1345 CA LEU A 85 -3.187 -8.220 18.603 1.00 16.73 C ATOM 1346 C LEU A 85 -4.642 -7.748 18.536 1.00 18.12 C ATOM 1347 O LEU A 85 -4.939 -6.591 18.767 1.00 18.78 O ATOM 1348 CB LEU A 85 -2.233 -7.003 18.542 1.00 16.75 C ATOM 1349 CG LEU A 85 -1.987 -6.490 17.101 1.00 16.63 C ATOM 1350 CD1 LEU A 85 -1.094 -7.464 16.326 1.00 16.13 C ATOM 1351 CD2 LEU A 85 -3.308 -6.286 16.348 1.00 17.68 C ATOM 0 H LEU A 85 -3.428 -8.995 16.629 1.00 15.58 H new ATOM 0 HA LEU A 85 -3.016 -8.737 19.547 1.00 16.73 H new ATOM 0 HB2 LEU A 85 -2.648 -6.194 19.143 1.00 16.75 H new ATOM 0 HB3 LEU A 85 -1.278 -7.276 18.991 1.00 16.75 H new ATOM 0 HG LEU A 85 -1.482 -5.527 17.178 1.00 16.63 H new ATOM 0 HD11 LEU A 85 -0.933 -7.086 15.316 1.00 16.13 H new ATOM 0 HD12 LEU A 85 -0.135 -7.561 16.834 1.00 16.13 H new ATOM 0 HD13 LEU A 85 -1.578 -8.439 16.275 1.00 16.13 H new ATOM 0 HD21 LEU A 85 -3.101 -5.926 15.340 1.00 17.68 H new ATOM 0 HD22 LEU A 85 -3.845 -7.233 16.291 1.00 17.68 H new ATOM 0 HD23 LEU A 85 -3.919 -5.554 16.876 1.00 17.68 H new ATOM 1363 N GLU A 86 -5.549 -8.639 18.223 1.00 18.80 N ATOM 1364 CA GLU A 86 -6.988 -8.253 18.138 1.00 20.34 C ATOM 1365 C GLU A 86 -7.854 -9.392 18.680 1.00 21.15 C ATOM 1366 O GLU A 86 -7.591 -10.553 18.433 1.00 20.92 O ATOM 1367 CB GLU A 86 -7.357 -7.981 16.679 1.00 20.81 C ATOM 1368 CG GLU A 86 -8.701 -7.252 16.618 1.00 21.99 C ATOM 1369 CD GLU A 86 -8.822 -6.512 15.285 1.00 22.68 C ATOM 1370 OE1 GLU A 86 -8.456 -7.089 14.274 1.00 22.61 O ATOM 1371 OE2 GLU A 86 -9.277 -5.380 15.296 1.00 23.47 O ATOM 0 H GLU A 86 -5.353 -9.620 18.022 1.00 18.80 H new ATOM 0 HA GLU A 86 -7.159 -7.354 18.730 1.00 20.34 H new ATOM 0 HB2 GLU A 86 -6.583 -7.379 16.204 1.00 20.81 H new ATOM 0 HB3 GLU A 86 -7.415 -8.919 16.127 1.00 20.81 H new ATOM 0 HG2 GLU A 86 -9.518 -7.965 16.725 1.00 21.99 H new ATOM 0 HG3 GLU A 86 -8.782 -6.547 17.446 1.00 21.99 H new ATOM 1378 N LYS A 87 -8.887 -9.064 19.419 1.00 22.32 N ATOM 1379 CA LYS A 87 -9.782 -10.120 19.985 1.00 23.38 C ATOM 1380 C LYS A 87 -8.972 -11.054 20.888 1.00 23.39 C ATOM 1381 O LYS A 87 -9.483 -12.111 21.222 1.00 24.00 O ATOM 1382 CB LYS A 87 -10.410 -10.928 18.845 1.00 23.79 C ATOM 1383 CG LYS A 87 -11.773 -10.334 18.487 1.00 25.05 C ATOM 1384 CD LYS A 87 -12.821 -10.822 19.489 1.00 26.08 C ATOM 1385 CE LYS A 87 -14.214 -10.713 18.864 1.00 27.34 C ATOM 1386 NZ LYS A 87 -15.247 -11.004 19.897 1.00 28.56 N ATOM 1387 OXT LYS A 87 -7.858 -10.697 21.229 1.00 22.97 O ATOM 0 H LYS A 87 -9.149 -8.107 19.655 1.00 22.32 H new ATOM 0 HA LYS A 87 -10.570 -9.646 20.570 1.00 23.38 H new ATOM 0 HB2 LYS A 87 -9.756 -10.915 17.973 1.00 23.79 H new ATOM 0 HB3 LYS A 87 -10.523 -11.970 19.143 1.00 23.79 H new ATOM 0 HG2 LYS A 87 -11.722 -9.245 18.499 1.00 25.05 H new ATOM 0 HG3 LYS A 87 -12.056 -10.628 17.476 1.00 25.05 H new ATOM 0 HD2 LYS A 87 -12.617 -11.855 19.771 1.00 26.08 H new ATOM 0 HD3 LYS A 87 -12.772 -10.227 20.401 1.00 26.08 H new ATOM 0 HE2 LYS A 87 -14.364 -9.713 18.456 1.00 27.34 H new ATOM 0 HE3 LYS A 87 -14.307 -11.413 18.034 1.00 27.34 H new ATOM 0 HZ1 LYS A 87 -16.193 -10.930 19.472 1.00 28.56 H new ATOM 0 HZ2 LYS A 87 -15.108 -11.966 20.266 1.00 28.56 H new ATOM 0 HZ3 LYS A 87 -15.162 -10.319 20.675 1.00 28.56 H new TER 1401 LYS A 87