USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 817 hydrogens (4 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 NoAdj-H: A 10 SEP H2 : A 10 SEP N : A 9 LEU C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot 47:sc= 0.408 USER MOD Set 1.2: A 15 SER OG : rot 85:sc= 0.697 USER MOD Single : A 1 MET CE :methyl 134:sc= -1.09 (180deg=-4.46!) USER MOD Single : A 4 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 6 GLN : amide:sc= -1.9 X(o=-1.9,f=-1.6) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 MET CE :methyl -160:sc= -0.176 (180deg=-0.707) USER MOD Single : A -4 MET N :NH3+ -174:sc= 0 (180deg=-0.0894) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0753 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS :FLIP no HE2:sc= 0.0293 F(o=-0.6,f=0.029) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.431 X(o=-0.43,f=-0.11) USER MOD Single : A 27 THR OG1 : rot -160:sc= -0.647 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 100:sc= -0.21 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.358) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.494 X(o=-0.49,f=-0.79) USER MOD Single : A 46 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.0447) USER MOD Single : A 47 ASN : amide:sc= 0.0899 X(o=0.09,f=-0.012) USER MOD Single : A 50 ASN : amide:sc= -0.597 K(o=-0.6,f=-9.7!) USER MOD Single : A 56 LYS NZ :NH3+ -173:sc= 0.934 (180deg=0.852) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.066 X(o=-0.066,f=-0.13) USER MOD Single : A 62 ASN : amide:sc= -8.54! C(o=-8.5!,f=-10!) USER MOD Single : A 64 HIS : no HD1:sc= -2.45 K(o=-2.4,f=-8!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.239 K(o=-0.24,f=-1.4!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 170:sc= -0.0251 (180deg=-0.173) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 137:sc= 1.08 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0665 K(o=-0.066,f=-0.97) USER MOD Single : A 94 ASN : amide:sc= -2.53! C(o=-2.5!,f=-6.6!) USER MOD Single : A 96 ASN :FLIP amide:sc=-0.00676 F(o=-2!,f=-0.0068) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -4 -24.064 16.796 10.294 1.00 12.65 N ATOM 2 CA MET A -4 -23.727 15.618 11.129 1.00 12.53 C ATOM 3 C MET A -4 -22.505 14.896 10.577 1.00 12.44 C ATOM 4 O MET A -4 -21.591 14.556 11.329 1.00 12.69 O ATOM 5 CB MET A -4 -24.908 14.647 11.199 1.00 12.61 C ATOM 6 CG MET A -4 -26.106 15.188 11.961 1.00 12.98 C ATOM 7 SD MET A -4 -27.480 14.019 12.020 1.00 13.01 S ATOM 8 CE MET A -4 -27.834 13.822 10.276 1.00 13.01 C ATOM 0 H1 MET A -4 -24.835 17.331 10.743 1.00 12.65 H new ATOM 0 H2 MET A -4 -23.227 17.407 10.201 1.00 12.65 H new ATOM 0 H3 MET A -4 -24.367 16.478 9.351 1.00 12.65 H new ATOM 0 HA MET A -4 -23.503 15.977 12.134 1.00 12.53 H new ATOM 0 HB2 MET A -4 -25.219 14.395 10.185 1.00 12.61 H new ATOM 0 HB3 MET A -4 -24.577 13.722 11.671 1.00 12.61 H new ATOM 0 HG2 MET A -4 -25.802 15.437 12.978 1.00 12.98 H new ATOM 0 HG3 MET A -4 -26.442 16.113 11.493 1.00 12.98 H new ATOM 0 HE1 MET A -4 -28.845 13.433 10.152 1.00 13.01 H new ATOM 0 HE2 MET A -4 -27.752 14.788 9.777 1.00 13.01 H new ATOM 0 HE3 MET A -4 -27.121 13.125 9.836 1.00 13.01 H new ATOM 20 N ARG A -3 -22.498 14.679 9.259 1.00 12.29 N ATOM 21 CA ARG A -3 -21.418 13.967 8.570 1.00 12.43 C ATOM 22 C ARG A -3 -21.406 12.489 8.954 1.00 12.49 C ATOM 23 O ARG A -3 -20.928 12.111 10.027 1.00 13.19 O ATOM 24 CB ARG A -3 -20.047 14.597 8.848 1.00 12.66 C ATOM 25 CG ARG A -3 -19.924 16.038 8.382 1.00 13.08 C ATOM 26 CD ARG A -3 -18.512 16.567 8.569 1.00 13.33 C ATOM 27 NE ARG A -3 -17.545 15.853 7.736 1.00 13.68 N ATOM 28 CZ ARG A -3 -16.245 16.135 7.681 1.00 13.98 C ATOM 29 NH1 ARG A -3 -15.733 17.095 8.443 1.00 13.97 N ATOM 30 NH2 ARG A -3 -15.458 15.440 6.869 1.00 14.46 N ATOM 0 H ARG A -3 -23.243 14.993 8.638 1.00 12.29 H new ATOM 0 HA ARG A -3 -21.613 14.052 7.501 1.00 12.43 H new ATOM 0 HB2 ARG A -3 -19.849 14.554 9.919 1.00 12.66 H new ATOM 0 HB3 ARG A -3 -19.278 14.000 8.358 1.00 12.66 H new ATOM 0 HG2 ARG A -3 -20.202 16.106 7.330 1.00 13.08 H new ATOM 0 HG3 ARG A -3 -20.624 16.662 8.938 1.00 13.08 H new ATOM 0 HD2 ARG A -3 -18.487 17.629 8.324 1.00 13.33 H new ATOM 0 HD3 ARG A -3 -18.226 16.475 9.617 1.00 13.33 H new ATOM 0 HE ARG A -3 -17.890 15.087 7.158 1.00 13.68 H new ATOM 0 HH11 ARG A -3 -16.337 17.621 9.075 1.00 13.97 H new ATOM 0 HH12 ARG A -3 -14.736 17.306 8.396 1.00 13.97 H new ATOM 0 HH21 ARG A -3 -15.850 14.696 6.292 1.00 14.46 H new ATOM 0 HH22 ARG A -3 -14.461 15.650 6.822 1.00 14.46 H new ATOM 44 N SER A -2 -21.952 11.665 8.078 1.00 11.93 N ATOM 45 CA SER A -2 -22.002 10.230 8.300 1.00 12.17 C ATOM 46 C SER A -2 -20.726 9.572 7.784 1.00 11.88 C ATOM 47 O SER A -2 -20.377 9.711 6.609 1.00 11.14 O ATOM 48 CB SER A -2 -23.229 9.636 7.600 1.00 12.01 C ATOM 49 OG SER A -2 -23.308 8.231 7.783 1.00 11.89 O ATOM 0 H SER A -2 -22.371 11.968 7.199 1.00 11.93 H new ATOM 0 HA SER A -2 -22.081 10.039 9.370 1.00 12.17 H new ATOM 0 HB2 SER A -2 -24.133 10.105 7.989 1.00 12.01 H new ATOM 0 HB3 SER A -2 -23.186 9.862 6.535 1.00 12.01 H new ATOM 0 HG SER A -2 -24.103 7.886 7.325 1.00 11.89 H new ATOM 55 N PRO A -1 -20.002 8.866 8.661 1.00 12.62 N ATOM 56 CA PRO A -1 -18.789 8.144 8.282 1.00 12.63 C ATOM 57 C PRO A -1 -19.106 6.900 7.458 1.00 12.19 C ATOM 58 O PRO A -1 -20.172 6.297 7.610 1.00 12.50 O ATOM 59 CB PRO A -1 -18.171 7.755 9.625 1.00 13.78 C ATOM 60 CG PRO A -1 -19.320 7.690 10.568 1.00 14.31 C ATOM 61 CD PRO A -1 -20.309 8.720 10.095 1.00 13.65 C ATOM 0 HA PRO A -1 -18.128 8.745 7.658 1.00 12.63 H new ATOM 0 HB2 PRO A -1 -17.657 6.796 9.561 1.00 13.78 H new ATOM 0 HB3 PRO A -1 -17.434 8.490 9.949 1.00 13.78 H new ATOM 0 HG2 PRO A -1 -19.765 6.695 10.571 1.00 14.31 H new ATOM 0 HG3 PRO A -1 -18.999 7.899 11.588 1.00 14.31 H new ATOM 0 HD2 PRO A -1 -21.336 8.391 10.253 1.00 13.65 H new ATOM 0 HD3 PRO A -1 -20.191 9.663 10.628 1.00 13.65 H new ATOM 69 N GLY A 0 -18.190 6.526 6.581 1.00 11.64 N ATOM 70 CA GLY A 0 -18.404 5.367 5.740 1.00 11.36 C ATOM 71 C GLY A 0 -18.840 5.762 4.347 1.00 10.34 C ATOM 72 O GLY A 0 -19.500 4.995 3.648 1.00 10.25 O ATOM 0 H GLY A 0 -17.301 7.004 6.435 1.00 11.64 H new ATOM 0 HA2 GLY A 0 -17.485 4.784 5.682 1.00 11.36 H new ATOM 0 HA3 GLY A 0 -19.161 4.725 6.190 1.00 11.36 H new ATOM 76 N MET A 1 -18.474 6.972 3.953 1.00 9.76 N ATOM 77 CA MET A 1 -18.799 7.485 2.631 1.00 8.91 C ATOM 78 C MET A 1 -17.547 7.542 1.771 1.00 7.94 C ATOM 79 O MET A 1 -17.455 8.340 0.835 1.00 7.83 O ATOM 80 CB MET A 1 -19.433 8.875 2.725 1.00 9.07 C ATOM 81 CG MET A 1 -20.833 8.876 3.318 1.00 9.23 C ATOM 82 SD MET A 1 -21.615 10.501 3.238 1.00 9.52 S ATOM 83 CE MET A 1 -23.205 10.145 3.981 1.00 10.00 C ATOM 0 H MET A 1 -17.947 7.622 4.536 1.00 9.76 H new ATOM 0 HA MET A 1 -19.520 6.810 2.170 1.00 8.91 H new ATOM 0 HB2 MET A 1 -18.792 9.515 3.331 1.00 9.07 H new ATOM 0 HB3 MET A 1 -19.471 9.314 1.728 1.00 9.07 H new ATOM 0 HG2 MET A 1 -21.450 8.152 2.786 1.00 9.23 H new ATOM 0 HG3 MET A 1 -20.784 8.550 4.357 1.00 9.23 H new ATOM 0 HE1 MET A 1 -23.448 10.919 4.709 1.00 10.00 H new ATOM 0 HE2 MET A 1 -23.972 10.123 3.207 1.00 10.00 H new ATOM 0 HE3 MET A 1 -23.165 9.177 4.480 1.00 10.00 H new ATOM 93 N ALA A 2 -16.588 6.683 2.101 1.00 7.42 N ATOM 94 CA ALA A 2 -15.344 6.586 1.354 1.00 6.49 C ATOM 95 C ALA A 2 -15.619 6.230 -0.101 1.00 5.57 C ATOM 96 O ALA A 2 -16.287 5.231 -0.388 1.00 5.73 O ATOM 97 CB ALA A 2 -14.426 5.553 1.989 1.00 6.46 C ATOM 0 H ALA A 2 -16.653 6.039 2.889 1.00 7.42 H new ATOM 0 HA ALA A 2 -14.848 7.556 1.382 1.00 6.49 H new ATOM 0 HB1 ALA A 2 -13.499 5.491 1.419 1.00 6.46 H new ATOM 0 HB2 ALA A 2 -14.203 5.846 3.015 1.00 6.46 H new ATOM 0 HB3 ALA A 2 -14.918 4.580 1.989 1.00 6.46 H new ATOM 103 N ASP A 3 -15.123 7.062 -1.007 1.00 4.82 N ATOM 104 CA ASP A 3 -15.328 6.862 -2.436 1.00 4.07 C ATOM 105 C ASP A 3 -14.838 5.492 -2.868 1.00 3.42 C ATOM 106 O ASP A 3 -13.769 5.039 -2.458 1.00 3.36 O ATOM 107 CB ASP A 3 -14.609 7.932 -3.238 1.00 3.92 C ATOM 108 CG ASP A 3 -15.055 7.973 -4.683 1.00 3.91 C ATOM 109 OD1 ASP A 3 -16.156 8.483 -4.956 1.00 4.23 O ATOM 110 OD2 ASP A 3 -14.305 7.485 -5.552 1.00 4.05 O ATOM 0 H ASP A 3 -14.572 7.888 -0.775 1.00 4.82 H new ATOM 0 HA ASP A 3 -16.399 6.931 -2.628 1.00 4.07 H new ATOM 0 HB2 ASP A 3 -14.785 8.905 -2.779 1.00 3.92 H new ATOM 0 HB3 ASP A 3 -13.535 7.751 -3.198 1.00 3.92 H new ATOM 115 N GLN A 4 -15.614 4.854 -3.718 1.00 3.34 N ATOM 116 CA GLN A 4 -15.343 3.482 -4.123 1.00 3.48 C ATOM 117 C GLN A 4 -14.397 3.435 -5.311 1.00 2.99 C ATOM 118 O GLN A 4 -13.984 2.364 -5.757 1.00 3.54 O ATOM 119 CB GLN A 4 -16.646 2.766 -4.459 1.00 4.26 C ATOM 120 CG GLN A 4 -17.414 3.370 -5.623 1.00 4.71 C ATOM 121 CD GLN A 4 -18.746 2.684 -5.856 1.00 5.51 C ATOM 122 OE1 GLN A 4 -18.822 1.401 -5.527 1.00 5.74 O flip ATOM 123 NE2 GLN A 4 -19.702 3.301 -6.325 1.00 6.23 N flip ATOM 0 H GLN A 4 -16.444 5.263 -4.147 1.00 3.34 H new ATOM 0 HA GLN A 4 -14.861 2.973 -3.288 1.00 3.48 H new ATOM 0 HB2 GLN A 4 -16.425 1.724 -4.688 1.00 4.26 H new ATOM 0 HB3 GLN A 4 -17.286 2.770 -3.577 1.00 4.26 H new ATOM 0 HG2 GLN A 4 -17.583 4.430 -5.432 1.00 4.71 H new ATOM 0 HG3 GLN A 4 -16.810 3.301 -6.528 1.00 4.71 H new ATOM 0 HE21 GLN A 4 -19.604 4.287 -6.566 1.00 6.23 H new ATOM 0 HE22 GLN A 4 -20.592 2.826 -6.473 1.00 6.23 H new ATOM 132 N ARG A 5 -14.080 4.603 -5.833 1.00 2.50 N ATOM 133 CA ARG A 5 -13.110 4.727 -6.891 1.00 2.68 C ATOM 134 C ARG A 5 -11.800 5.312 -6.376 1.00 2.06 C ATOM 135 O ARG A 5 -10.843 5.474 -7.138 1.00 2.58 O ATOM 136 CB ARG A 5 -13.680 5.592 -7.993 1.00 3.25 C ATOM 137 CG ARG A 5 -14.605 4.819 -8.907 1.00 4.11 C ATOM 138 CD ARG A 5 -13.856 3.728 -9.655 1.00 4.98 C ATOM 139 NE ARG A 5 -14.729 2.981 -10.557 1.00 5.72 N ATOM 140 CZ ARG A 5 -14.322 1.959 -11.308 1.00 6.72 C ATOM 141 NH1 ARG A 5 -13.077 1.509 -11.213 1.00 7.07 N ATOM 142 NH2 ARG A 5 -15.167 1.376 -12.147 1.00 7.54 N ATOM 0 H ARG A 5 -14.489 5.488 -5.533 1.00 2.50 H new ATOM 0 HA ARG A 5 -12.892 3.734 -7.283 1.00 2.68 H new ATOM 0 HB2 ARG A 5 -14.223 6.428 -7.552 1.00 3.25 H new ATOM 0 HB3 ARG A 5 -12.864 6.016 -8.579 1.00 3.25 H new ATOM 0 HG2 ARG A 5 -15.410 4.375 -8.322 1.00 4.11 H new ATOM 0 HG3 ARG A 5 -15.068 5.501 -9.621 1.00 4.11 H new ATOM 0 HD2 ARG A 5 -13.042 4.174 -10.226 1.00 4.98 H new ATOM 0 HD3 ARG A 5 -13.404 3.042 -8.938 1.00 4.98 H new ATOM 0 HE ARG A 5 -15.709 3.259 -10.615 1.00 5.72 H new ATOM 0 HH11 ARG A 5 -12.425 1.946 -10.562 1.00 7.07 H new ATOM 0 HH12 ARG A 5 -12.772 0.726 -11.791 1.00 7.07 H new ATOM 0 HH21 ARG A 5 -16.128 1.710 -12.217 1.00 7.54 H new ATOM 0 HH22 ARG A 5 -14.856 0.593 -12.722 1.00 7.54 H new ATOM 156 N GLN A 6 -11.771 5.603 -5.069 1.00 1.28 N ATOM 157 CA GLN A 6 -10.596 6.155 -4.397 1.00 0.78 C ATOM 158 C GLN A 6 -10.220 7.552 -4.920 1.00 0.83 C ATOM 159 O GLN A 6 -10.416 7.874 -6.092 1.00 1.14 O ATOM 160 CB GLN A 6 -9.434 5.173 -4.505 1.00 0.87 C ATOM 161 CG GLN A 6 -9.647 3.898 -3.696 1.00 0.82 C ATOM 162 CD GLN A 6 -10.619 2.918 -4.325 1.00 1.10 C ATOM 163 OE1 GLN A 6 -11.802 2.913 -4.002 1.00 1.97 O ATOM 164 NE2 GLN A 6 -10.132 2.095 -5.235 1.00 1.15 N ATOM 0 H GLN A 6 -12.568 5.460 -4.448 1.00 1.28 H new ATOM 0 HA GLN A 6 -10.841 6.292 -3.344 1.00 0.78 H new ATOM 0 HB2 GLN A 6 -9.285 4.910 -5.552 1.00 0.87 H new ATOM 0 HB3 GLN A 6 -8.521 5.662 -4.166 1.00 0.87 H new ATOM 0 HG2 GLN A 6 -8.686 3.402 -3.560 1.00 0.82 H new ATOM 0 HG3 GLN A 6 -10.010 4.167 -2.704 1.00 0.82 H new ATOM 0 HE21 GLN A 6 -9.142 2.130 -5.476 1.00 1.15 H new ATOM 0 HE22 GLN A 6 -10.746 1.424 -5.697 1.00 1.15 H new ATOM 173 N ARG A 7 -9.689 8.391 -4.034 1.00 0.84 N ATOM 174 CA ARG A 7 -9.490 9.802 -4.346 1.00 1.03 C ATOM 175 C ARG A 7 -8.111 10.343 -3.953 1.00 0.98 C ATOM 176 O ARG A 7 -7.810 11.508 -4.210 1.00 1.17 O ATOM 177 CB ARG A 7 -10.584 10.606 -3.643 1.00 1.18 C ATOM 178 CG ARG A 7 -10.878 10.141 -2.219 1.00 1.16 C ATOM 179 CD ARG A 7 -9.761 10.464 -1.236 1.00 1.14 C ATOM 180 NE ARG A 7 -9.631 11.895 -0.977 1.00 1.61 N ATOM 181 CZ ARG A 7 -9.035 12.399 0.103 1.00 1.80 C ATOM 182 NH1 ARG A 7 -8.607 11.589 1.070 1.00 1.51 N ATOM 183 NH2 ARG A 7 -8.902 13.715 0.234 1.00 2.67 N ATOM 0 H ARG A 7 -9.390 8.119 -3.098 1.00 0.84 H new ATOM 0 HA ARG A 7 -9.546 9.905 -5.430 1.00 1.03 H new ATOM 0 HB2 ARG A 7 -10.290 11.655 -3.618 1.00 1.18 H new ATOM 0 HB3 ARG A 7 -11.500 10.545 -4.231 1.00 1.18 H new ATOM 0 HG2 ARG A 7 -11.801 10.608 -1.875 1.00 1.16 H new ATOM 0 HG3 ARG A 7 -11.048 9.064 -2.224 1.00 1.16 H new ATOM 0 HD2 ARG A 7 -9.949 9.945 -0.296 1.00 1.14 H new ATOM 0 HD3 ARG A 7 -8.818 10.083 -1.627 1.00 1.14 H new ATOM 0 HE ARG A 7 -10.018 12.545 -1.661 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -8.735 10.581 0.985 1.00 1.51 H new ATOM 0 HH12 ARG A 7 -8.151 11.977 1.896 1.00 1.51 H new ATOM 0 HH21 ARG A 7 -9.256 14.338 -0.492 1.00 2.67 H new ATOM 0 HH22 ARG A 7 -8.446 14.102 1.060 1.00 2.67 H new ATOM 197 N SER A 8 -7.278 9.527 -3.334 1.00 0.77 N ATOM 198 CA SER A 8 -6.015 10.032 -2.804 1.00 0.75 C ATOM 199 C SER A 8 -4.833 9.690 -3.717 1.00 0.75 C ATOM 200 O SER A 8 -4.450 10.483 -4.577 1.00 1.06 O ATOM 201 CB SER A 8 -5.780 9.494 -1.389 1.00 0.65 C ATOM 202 OG SER A 8 -4.680 10.134 -0.764 1.00 1.38 O ATOM 0 H SER A 8 -7.443 8.531 -3.185 1.00 0.77 H new ATOM 0 HA SER A 8 -6.085 11.119 -2.762 1.00 0.75 H new ATOM 0 HB2 SER A 8 -6.678 9.643 -0.789 1.00 0.65 H new ATOM 0 HB3 SER A 8 -5.600 8.420 -1.433 1.00 0.65 H new ATOM 0 HG SER A 8 -4.558 9.769 0.137 1.00 1.38 H new ATOM 208 N LEU A 9 -4.272 8.508 -3.531 1.00 0.54 N ATOM 209 CA LEU A 9 -3.084 8.082 -4.265 1.00 0.53 C ATOM 210 C LEU A 9 -3.466 7.331 -5.547 1.00 0.55 C ATOM 211 O LEU A 9 -4.616 7.384 -5.985 1.00 0.59 O ATOM 212 CB LEU A 9 -2.145 7.236 -3.365 1.00 0.44 C ATOM 213 CG LEU A 9 -2.773 6.100 -2.543 1.00 0.35 C ATOM 214 CD1 LEU A 9 -3.303 6.614 -1.213 1.00 0.66 C ATOM 215 CD2 LEU A 9 -3.877 5.417 -3.320 1.00 0.65 C ATOM 0 H LEU A 9 -4.623 7.815 -2.870 1.00 0.54 H new ATOM 0 HA LEU A 9 -2.534 8.975 -4.562 1.00 0.53 H new ATOM 0 HB2 LEU A 9 -1.373 6.802 -4.001 1.00 0.44 H new ATOM 0 HB3 LEU A 9 -1.645 7.913 -2.673 1.00 0.44 H new ATOM 0 HG LEU A 9 -1.991 5.369 -2.339 1.00 0.35 H new ATOM 0 HD11 LEU A 9 -3.742 5.788 -0.653 1.00 0.66 H new ATOM 0 HD12 LEU A 9 -2.485 7.048 -0.639 1.00 0.66 H new ATOM 0 HD13 LEU A 9 -4.063 7.374 -1.394 1.00 0.66 H new ATOM 0 HD21 LEU A 9 -4.305 4.617 -2.716 1.00 0.65 H new ATOM 0 HD22 LEU A 9 -4.653 6.143 -3.564 1.00 0.65 H new ATOM 0 HD23 LEU A 9 -3.469 4.999 -4.240 1.00 0.65 H new HETATM 227 N SEP A 10 -2.507 6.638 -6.137 1.00 0.56 N HETATM 228 CA SEP A 10 -2.721 5.919 -7.379 1.00 0.60 C HETATM 229 CB SEP A 10 -1.430 5.922 -8.197 1.00 0.74 C HETATM 230 OG SEP A 10 -0.355 6.499 -7.448 1.00 1.08 O HETATM 231 C SEP A 10 -3.151 4.490 -7.077 1.00 0.47 C HETATM 232 O SEP A 10 -2.358 3.682 -6.598 1.00 0.46 O HETATM 233 P SEP A 10 0.527 5.293 -6.828 1.00 1.55 P HETATM 234 O1P SEP A 10 -0.112 4.892 -5.442 1.00 2.41 O HETATM 235 O2P SEP A 10 1.957 5.879 -6.462 1.00 2.39 O HETATM 236 O3P SEP A 10 0.578 4.188 -7.832 1.00 2.04 O HETATM 0 HB3 SEP A 10 -1.173 4.902 -8.483 1.00 0.74 H new HETATM 0 HB2 SEP A 10 -1.580 6.484 -9.119 1.00 0.74 H new HETATM 0 HA SEP A 10 -3.507 6.408 -7.954 1.00 0.60 H new HETATM 0 H SEP A 10 -1.595 7.047 -5.935 1.00 0.56 H new ATOM 241 N THR A 11 -4.404 4.182 -7.344 1.00 0.43 N ATOM 242 CA THR A 11 -4.945 2.885 -7.003 1.00 0.36 C ATOM 243 C THR A 11 -4.623 1.827 -8.046 1.00 0.37 C ATOM 244 O THR A 11 -5.387 1.594 -8.984 1.00 0.44 O ATOM 245 CB THR A 11 -6.458 2.958 -6.773 1.00 0.44 C ATOM 246 OG1 THR A 11 -7.037 3.970 -7.609 1.00 0.60 O ATOM 247 CG2 THR A 11 -6.748 3.256 -5.317 1.00 0.54 C ATOM 0 H THR A 11 -5.066 4.813 -7.796 1.00 0.43 H new ATOM 0 HA THR A 11 -4.461 2.586 -6.073 1.00 0.36 H new ATOM 0 HB THR A 11 -6.900 1.996 -7.031 1.00 0.44 H new ATOM 0 HG1 THR A 11 -8.004 4.007 -7.456 1.00 0.60 H new ATOM 0 HG21 THR A 11 -7.826 3.306 -5.164 1.00 0.54 H new ATOM 0 HG22 THR A 11 -6.329 2.466 -4.693 1.00 0.54 H new ATOM 0 HG23 THR A 11 -6.298 4.211 -5.044 1.00 0.54 H new ATOM 255 N SER A 12 -3.467 1.214 -7.882 1.00 0.36 N ATOM 256 CA SER A 12 -3.089 0.073 -8.684 1.00 0.40 C ATOM 257 C SER A 12 -2.447 -0.979 -7.791 1.00 0.34 C ATOM 258 O SER A 12 -1.225 -1.076 -7.693 1.00 0.41 O ATOM 259 CB SER A 12 -2.145 0.490 -9.817 1.00 0.53 C ATOM 260 OG SER A 12 -1.000 1.168 -9.319 1.00 1.26 O ATOM 0 H SER A 12 -2.769 1.493 -7.193 1.00 0.36 H new ATOM 0 HA SER A 12 -3.980 -0.352 -9.146 1.00 0.40 H new ATOM 0 HB2 SER A 12 -1.832 -0.393 -10.375 1.00 0.53 H new ATOM 0 HB3 SER A 12 -2.677 1.136 -10.515 1.00 0.53 H new ATOM 0 HG SER A 12 -0.626 0.667 -8.564 1.00 1.26 H new ATOM 266 N GLY A 13 -3.285 -1.747 -7.108 1.00 0.28 N ATOM 267 CA GLY A 13 -2.786 -2.794 -6.236 1.00 0.29 C ATOM 268 C GLY A 13 -2.261 -3.983 -7.017 1.00 0.27 C ATOM 269 O GLY A 13 -1.791 -4.960 -6.441 1.00 0.27 O ATOM 0 H GLY A 13 -4.301 -1.665 -7.142 1.00 0.28 H new ATOM 0 HA2 GLY A 13 -1.991 -2.394 -5.607 1.00 0.29 H new ATOM 0 HA3 GLY A 13 -3.584 -3.122 -5.570 1.00 0.29 H new ATOM 273 N GLU A 14 -2.302 -3.873 -8.332 1.00 0.28 N ATOM 274 CA GLU A 14 -1.945 -4.970 -9.213 1.00 0.26 C ATOM 275 C GLU A 14 -0.457 -4.922 -9.488 1.00 0.20 C ATOM 276 O GLU A 14 0.137 -5.857 -10.017 1.00 0.23 O ATOM 277 CB GLU A 14 -2.741 -4.867 -10.513 1.00 0.32 C ATOM 278 CG GLU A 14 -2.697 -3.485 -11.150 1.00 0.35 C ATOM 279 CD GLU A 14 -3.547 -3.389 -12.396 1.00 0.95 C ATOM 280 OE1 GLU A 14 -3.094 -3.845 -13.468 1.00 0.99 O ATOM 281 OE2 GLU A 14 -4.671 -2.861 -12.310 1.00 1.60 O ATOM 0 H GLU A 14 -2.583 -3.022 -8.819 1.00 0.28 H new ATOM 0 HA GLU A 14 -2.185 -5.922 -8.739 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -2.355 -5.597 -11.224 1.00 0.32 H new ATOM 0 HB3 GLU A 14 -3.779 -5.133 -10.315 1.00 0.32 H new ATOM 0 HG2 GLU A 14 -3.037 -2.745 -10.426 1.00 0.35 H new ATOM 0 HG3 GLU A 14 -1.665 -3.237 -11.399 1.00 0.35 H new ATOM 288 N SER A 15 0.128 -3.805 -9.114 1.00 0.21 N ATOM 289 CA SER A 15 1.540 -3.585 -9.272 1.00 0.22 C ATOM 290 C SER A 15 2.288 -4.047 -8.024 1.00 0.19 C ATOM 291 O SER A 15 3.510 -4.123 -8.021 1.00 0.22 O ATOM 292 CB SER A 15 1.771 -2.102 -9.527 1.00 0.31 C ATOM 293 OG SER A 15 0.561 -1.470 -9.925 1.00 0.74 O ATOM 0 H SER A 15 -0.370 -3.022 -8.690 1.00 0.21 H new ATOM 0 HA SER A 15 1.918 -4.161 -10.116 1.00 0.22 H new ATOM 0 HB2 SER A 15 2.156 -1.628 -8.624 1.00 0.31 H new ATOM 0 HB3 SER A 15 2.527 -1.974 -10.302 1.00 0.31 H new ATOM 0 HG SER A 15 0.051 -1.210 -9.130 1.00 0.74 H new ATOM 299 N LEU A 16 1.520 -4.367 -6.976 1.00 0.16 N ATOM 300 CA LEU A 16 2.046 -4.719 -5.647 1.00 0.14 C ATOM 301 C LEU A 16 3.281 -5.613 -5.695 1.00 0.14 C ATOM 302 O LEU A 16 4.329 -5.257 -5.157 1.00 0.16 O ATOM 303 CB LEU A 16 0.951 -5.408 -4.839 1.00 0.16 C ATOM 304 CG LEU A 16 0.359 -4.583 -3.699 1.00 0.16 C ATOM 305 CD1 LEU A 16 0.255 -3.116 -4.085 1.00 0.16 C ATOM 306 CD2 LEU A 16 -1.008 -5.130 -3.326 1.00 0.18 C ATOM 0 H LEU A 16 0.501 -4.390 -7.025 1.00 0.16 H new ATOM 0 HA LEU A 16 2.356 -3.787 -5.175 1.00 0.14 H new ATOM 0 HB2 LEU A 16 0.145 -5.689 -5.517 1.00 0.16 H new ATOM 0 HB3 LEU A 16 1.356 -6.331 -4.424 1.00 0.16 H new ATOM 0 HG LEU A 16 1.022 -4.656 -2.837 1.00 0.16 H new ATOM 0 HD11 LEU A 16 -0.170 -2.551 -3.255 1.00 0.16 H new ATOM 0 HD12 LEU A 16 1.247 -2.730 -4.317 1.00 0.16 H new ATOM 0 HD13 LEU A 16 -0.387 -3.015 -4.960 1.00 0.16 H new ATOM 0 HD21 LEU A 16 -1.427 -4.538 -2.512 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -1.669 -5.077 -4.191 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -0.910 -6.168 -3.007 1.00 0.18 H new ATOM 318 N TYR A 17 3.162 -6.766 -6.337 1.00 0.17 N ATOM 319 CA TYR A 17 4.262 -7.728 -6.379 1.00 0.20 C ATOM 320 C TYR A 17 5.478 -7.175 -7.127 1.00 0.24 C ATOM 321 O TYR A 17 6.601 -7.638 -6.927 1.00 0.34 O ATOM 322 CB TYR A 17 3.807 -9.059 -6.992 1.00 0.25 C ATOM 323 CG TYR A 17 3.046 -8.946 -8.297 1.00 0.63 C ATOM 324 CD1 TYR A 17 3.720 -8.920 -9.512 1.00 1.22 C ATOM 325 CD2 TYR A 17 1.661 -8.844 -8.314 1.00 0.69 C ATOM 326 CE1 TYR A 17 3.036 -8.799 -10.705 1.00 1.66 C ATOM 327 CE2 TYR A 17 0.971 -8.726 -9.504 1.00 1.08 C ATOM 328 CZ TYR A 17 1.635 -8.772 -10.687 1.00 1.53 C ATOM 329 OH TYR A 17 0.976 -8.587 -11.885 1.00 1.99 O ATOM 0 H TYR A 17 2.321 -7.060 -6.834 1.00 0.17 H new ATOM 0 HA TYR A 17 4.567 -7.910 -5.349 1.00 0.20 H new ATOM 0 HB2 TYR A 17 4.685 -9.683 -7.156 1.00 0.25 H new ATOM 0 HB3 TYR A 17 3.178 -9.577 -6.268 1.00 0.25 H new ATOM 0 HD1 TYR A 17 4.797 -8.996 -9.523 1.00 1.22 H new ATOM 0 HD2 TYR A 17 1.115 -8.857 -7.382 1.00 0.69 H new ATOM 0 HE1 TYR A 17 3.573 -8.726 -11.639 1.00 1.66 H new ATOM 0 HE2 TYR A 17 -0.101 -8.597 -9.494 1.00 1.08 H new ATOM 0 HH TYR A 17 0.008 -8.590 -11.730 1.00 1.99 H new ATOM 339 N HIS A 18 5.251 -6.174 -7.966 1.00 0.22 N ATOM 340 CA HIS A 18 6.325 -5.541 -8.723 1.00 0.26 C ATOM 341 C HIS A 18 6.901 -4.373 -7.937 1.00 0.23 C ATOM 342 O HIS A 18 8.080 -4.048 -8.064 1.00 0.29 O ATOM 343 CB HIS A 18 5.791 -5.060 -10.081 1.00 0.31 C ATOM 344 CG HIS A 18 6.849 -4.627 -11.061 1.00 0.82 C ATOM 345 ND1 HIS A 18 7.817 -3.686 -10.972 1.00 1.62 N flip ATOM 346 CD2 HIS A 18 6.966 -5.166 -12.322 1.00 1.37 C flip ATOM 347 CE1 HIS A 18 8.491 -3.672 -12.164 1.00 1.96 C flip ATOM 348 NE2 HIS A 18 7.958 -4.578 -12.963 1.00 1.74 N flip ATOM 0 H HIS A 18 4.327 -5.780 -8.141 1.00 0.22 H new ATOM 0 HA HIS A 18 7.118 -6.269 -8.894 1.00 0.26 H new ATOM 0 HB2 HIS A 18 5.207 -5.863 -10.530 1.00 0.31 H new ATOM 0 HB3 HIS A 18 5.110 -4.226 -9.912 1.00 0.31 H new ATOM 0 HD1 HIS A 18 8.010 -3.094 -10.164 1.00 1.62 H new ATOM 0 HD2 HIS A 18 6.342 -5.950 -12.725 1.00 1.37 H new ATOM 0 HE1 HIS A 18 9.321 -3.027 -12.410 1.00 1.96 H new ATOM 357 N VAL A 19 6.059 -3.779 -7.110 1.00 0.17 N ATOM 358 CA VAL A 19 6.411 -2.601 -6.334 1.00 0.16 C ATOM 359 C VAL A 19 7.697 -2.825 -5.538 1.00 0.17 C ATOM 360 O VAL A 19 8.591 -1.978 -5.525 1.00 0.20 O ATOM 361 CB VAL A 19 5.246 -2.224 -5.380 1.00 0.15 C ATOM 362 CG1 VAL A 19 5.680 -1.209 -4.353 1.00 0.18 C ATOM 363 CG2 VAL A 19 4.066 -1.679 -6.163 1.00 0.19 C ATOM 0 H VAL A 19 5.104 -4.102 -6.956 1.00 0.17 H new ATOM 0 HA VAL A 19 6.586 -1.778 -7.027 1.00 0.16 H new ATOM 0 HB VAL A 19 4.945 -3.134 -4.862 1.00 0.15 H new ATOM 0 HG11 VAL A 19 4.840 -0.968 -3.702 1.00 0.18 H new ATOM 0 HG12 VAL A 19 6.495 -1.620 -3.757 1.00 0.18 H new ATOM 0 HG13 VAL A 19 6.020 -0.304 -4.857 1.00 0.18 H new ATOM 0 HG21 VAL A 19 3.261 -1.421 -5.475 1.00 0.19 H new ATOM 0 HG22 VAL A 19 4.373 -0.789 -6.712 1.00 0.19 H new ATOM 0 HG23 VAL A 19 3.715 -2.435 -6.865 1.00 0.19 H new ATOM 373 N LEU A 20 7.796 -3.983 -4.909 1.00 0.18 N ATOM 374 CA LEU A 20 8.940 -4.287 -4.055 1.00 0.24 C ATOM 375 C LEU A 20 9.680 -5.543 -4.513 1.00 0.27 C ATOM 376 O LEU A 20 10.862 -5.715 -4.217 1.00 0.33 O ATOM 377 CB LEU A 20 8.505 -4.417 -2.592 1.00 0.28 C ATOM 378 CG LEU A 20 7.012 -4.666 -2.362 1.00 0.23 C ATOM 379 CD1 LEU A 20 6.593 -6.021 -2.897 1.00 0.25 C ATOM 380 CD2 LEU A 20 6.685 -4.549 -0.882 1.00 0.28 C ATOM 0 H LEU A 20 7.103 -4.729 -4.970 1.00 0.18 H new ATOM 0 HA LEU A 20 9.637 -3.453 -4.139 1.00 0.24 H new ATOM 0 HB2 LEU A 20 9.065 -5.234 -2.137 1.00 0.28 H new ATOM 0 HB3 LEU A 20 8.788 -3.505 -2.066 1.00 0.28 H new ATOM 0 HG LEU A 20 6.451 -3.907 -2.908 1.00 0.23 H new ATOM 0 HD11 LEU A 20 5.528 -6.169 -2.719 1.00 0.25 H new ATOM 0 HD12 LEU A 20 6.792 -6.067 -3.968 1.00 0.25 H new ATOM 0 HD13 LEU A 20 7.158 -6.803 -2.389 1.00 0.25 H new ATOM 0 HD21 LEU A 20 5.621 -4.728 -0.729 1.00 0.28 H new ATOM 0 HD22 LEU A 20 7.261 -5.286 -0.323 1.00 0.28 H new ATOM 0 HD23 LEU A 20 6.939 -3.549 -0.531 1.00 0.28 H new ATOM 392 N GLY A 21 8.986 -6.421 -5.228 1.00 0.27 N ATOM 393 CA GLY A 21 9.610 -7.641 -5.706 1.00 0.32 C ATOM 394 C GLY A 21 9.348 -8.831 -4.799 1.00 0.34 C ATOM 395 O GLY A 21 10.272 -9.562 -4.444 1.00 0.65 O ATOM 0 H GLY A 21 8.005 -6.311 -5.485 1.00 0.27 H new ATOM 0 HA2 GLY A 21 9.241 -7.865 -6.707 1.00 0.32 H new ATOM 0 HA3 GLY A 21 10.685 -7.484 -5.791 1.00 0.32 H new ATOM 399 N LEU A 22 8.090 -9.019 -4.424 1.00 0.19 N ATOM 400 CA LEU A 22 7.683 -10.143 -3.584 1.00 0.16 C ATOM 401 C LEU A 22 6.177 -10.327 -3.730 1.00 0.17 C ATOM 402 O LEU A 22 5.484 -9.389 -4.122 1.00 0.19 O ATOM 403 CB LEU A 22 8.052 -9.880 -2.110 1.00 0.14 C ATOM 404 CG LEU A 22 8.411 -11.115 -1.253 1.00 0.15 C ATOM 405 CD1 LEU A 22 8.682 -12.334 -2.121 1.00 0.19 C ATOM 406 CD2 LEU A 22 9.635 -10.828 -0.398 1.00 0.18 C ATOM 0 H LEU A 22 7.324 -8.401 -4.691 1.00 0.19 H new ATOM 0 HA LEU A 22 8.202 -11.048 -3.899 1.00 0.16 H new ATOM 0 HB2 LEU A 22 8.898 -9.193 -2.088 1.00 0.14 H new ATOM 0 HB3 LEU A 22 7.214 -9.369 -1.636 1.00 0.14 H new ATOM 0 HG LEU A 22 7.556 -11.327 -0.612 1.00 0.15 H new ATOM 0 HD11 LEU A 22 8.931 -13.184 -1.486 1.00 0.19 H new ATOM 0 HD12 LEU A 22 7.794 -12.567 -2.708 1.00 0.19 H new ATOM 0 HD13 LEU A 22 9.515 -12.125 -2.792 1.00 0.19 H new ATOM 0 HD21 LEU A 22 9.875 -11.707 0.200 1.00 0.18 H new ATOM 0 HD22 LEU A 22 10.480 -10.585 -1.042 1.00 0.18 H new ATOM 0 HD23 LEU A 22 9.428 -9.986 0.262 1.00 0.18 H new ATOM 418 N ASP A 23 5.683 -11.527 -3.452 1.00 0.18 N ATOM 419 CA ASP A 23 4.245 -11.804 -3.475 1.00 0.21 C ATOM 420 C ASP A 23 3.955 -13.214 -3.009 1.00 0.23 C ATOM 421 O ASP A 23 4.259 -14.169 -3.708 1.00 0.26 O ATOM 422 CB ASP A 23 3.631 -11.611 -4.871 1.00 0.29 C ATOM 423 CG ASP A 23 4.254 -12.478 -5.953 1.00 1.05 C ATOM 424 OD1 ASP A 23 5.462 -12.307 -6.233 1.00 1.77 O ATOM 425 OD2 ASP A 23 3.554 -13.349 -6.515 1.00 1.13 O ATOM 0 H ASP A 23 6.259 -12.332 -3.206 1.00 0.18 H new ATOM 0 HA ASP A 23 3.790 -11.085 -2.794 1.00 0.21 H new ATOM 0 HB2 ASP A 23 2.564 -11.826 -4.819 1.00 0.29 H new ATOM 0 HB3 ASP A 23 3.731 -10.564 -5.158 1.00 0.29 H new ATOM 430 N LYS A 24 3.377 -13.311 -1.809 1.00 0.23 N ATOM 431 CA LYS A 24 2.846 -14.560 -1.214 1.00 0.28 C ATOM 432 C LYS A 24 3.770 -15.781 -1.309 1.00 0.28 C ATOM 433 O LYS A 24 3.380 -16.878 -0.912 1.00 0.34 O ATOM 434 CB LYS A 24 1.489 -14.907 -1.840 1.00 0.35 C ATOM 435 CG LYS A 24 1.526 -15.090 -3.353 1.00 0.37 C ATOM 436 CD LYS A 24 1.343 -16.542 -3.768 1.00 0.43 C ATOM 437 CE LYS A 24 2.669 -17.239 -4.032 1.00 0.50 C ATOM 438 NZ LYS A 24 2.475 -18.608 -4.578 1.00 1.42 N ATOM 0 H LYS A 24 3.257 -12.503 -1.198 1.00 0.23 H new ATOM 0 HA LYS A 24 2.753 -14.341 -0.150 1.00 0.28 H new ATOM 0 HB2 LYS A 24 1.115 -15.824 -1.384 1.00 0.35 H new ATOM 0 HB3 LYS A 24 0.778 -14.117 -1.598 1.00 0.35 H new ATOM 0 HG2 LYS A 24 0.743 -14.484 -3.808 1.00 0.37 H new ATOM 0 HG3 LYS A 24 2.478 -14.723 -3.737 1.00 0.37 H new ATOM 0 HD2 LYS A 24 0.804 -17.076 -2.985 1.00 0.43 H new ATOM 0 HD3 LYS A 24 0.727 -16.586 -4.666 1.00 0.43 H new ATOM 0 HE2 LYS A 24 3.257 -16.648 -4.734 1.00 0.50 H new ATOM 0 HE3 LYS A 24 3.241 -17.295 -3.106 1.00 0.50 H new ATOM 0 HZ1 LYS A 24 3.402 -19.050 -4.745 1.00 1.42 H new ATOM 0 HZ2 LYS A 24 1.936 -19.180 -3.897 1.00 1.42 H new ATOM 0 HZ3 LYS A 24 1.952 -18.553 -5.475 1.00 1.42 H new ATOM 452 N ASN A 25 4.978 -15.603 -1.792 1.00 0.25 N ATOM 453 CA ASN A 25 5.935 -16.690 -1.834 1.00 0.28 C ATOM 454 C ASN A 25 6.783 -16.629 -0.589 1.00 0.25 C ATOM 455 O ASN A 25 7.288 -17.633 -0.095 1.00 0.31 O ATOM 456 CB ASN A 25 6.842 -16.614 -3.066 1.00 0.31 C ATOM 457 CG ASN A 25 6.148 -17.022 -4.349 1.00 0.35 C ATOM 458 OD1 ASN A 25 6.071 -18.204 -4.675 1.00 0.40 O ATOM 459 ND2 ASN A 25 5.658 -16.047 -5.094 1.00 0.37 N ATOM 0 H ASN A 25 5.323 -14.717 -2.162 1.00 0.25 H new ATOM 0 HA ASN A 25 5.383 -17.628 -1.890 1.00 0.28 H new ATOM 0 HB2 ASN A 25 7.215 -15.595 -3.171 1.00 0.31 H new ATOM 0 HB3 ASN A 25 7.709 -17.256 -2.910 1.00 0.31 H new ATOM 0 HD21 ASN A 25 5.195 -16.263 -5.977 1.00 0.37 H new ATOM 0 HD22 ASN A 25 5.743 -15.078 -4.787 1.00 0.37 H new ATOM 466 N ALA A 26 6.918 -15.414 -0.096 1.00 0.20 N ATOM 467 CA ALA A 26 7.685 -15.135 1.090 1.00 0.19 C ATOM 468 C ALA A 26 6.819 -15.262 2.312 1.00 0.19 C ATOM 469 O ALA A 26 5.588 -15.238 2.230 1.00 0.24 O ATOM 470 CB ALA A 26 8.262 -13.743 1.009 1.00 0.18 C ATOM 0 H ALA A 26 6.492 -14.588 -0.516 1.00 0.20 H new ATOM 0 HA ALA A 26 8.499 -15.857 1.162 1.00 0.19 H new ATOM 0 HB1 ALA A 26 8.842 -13.536 1.909 1.00 0.18 H new ATOM 0 HB2 ALA A 26 8.909 -13.668 0.135 1.00 0.18 H new ATOM 0 HB3 ALA A 26 7.453 -13.018 0.924 1.00 0.18 H new ATOM 476 N THR A 27 7.474 -15.387 3.434 1.00 0.21 N ATOM 477 CA THR A 27 6.807 -15.497 4.700 1.00 0.24 C ATOM 478 C THR A 27 6.495 -14.107 5.222 1.00 0.21 C ATOM 479 O THR A 27 6.814 -13.110 4.567 1.00 0.21 O ATOM 480 CB THR A 27 7.711 -16.237 5.699 1.00 0.30 C ATOM 481 OG1 THR A 27 8.839 -15.419 6.032 1.00 0.33 O ATOM 482 CG2 THR A 27 8.211 -17.531 5.088 1.00 0.35 C ATOM 0 H THR A 27 8.492 -15.415 3.495 1.00 0.21 H new ATOM 0 HA THR A 27 5.880 -16.057 4.578 1.00 0.24 H new ATOM 0 HB THR A 27 7.132 -16.454 6.597 1.00 0.30 H new ATOM 0 HG1 THR A 27 9.554 -15.981 6.397 1.00 0.33 H new ATOM 0 HG21 THR A 27 8.851 -18.048 5.803 1.00 0.35 H new ATOM 0 HG22 THR A 27 7.362 -18.166 4.835 1.00 0.35 H new ATOM 0 HG23 THR A 27 8.781 -17.311 4.185 1.00 0.35 H new ATOM 490 N SER A 28 5.894 -14.034 6.396 1.00 0.26 N ATOM 491 CA SER A 28 5.662 -12.758 7.046 1.00 0.32 C ATOM 492 C SER A 28 6.983 -12.061 7.336 1.00 0.31 C ATOM 493 O SER A 28 7.021 -10.881 7.668 1.00 0.41 O ATOM 494 CB SER A 28 4.847 -12.951 8.327 1.00 0.40 C ATOM 495 OG SER A 28 5.387 -13.993 9.123 1.00 1.54 O ATOM 0 H SER A 28 5.558 -14.843 6.918 1.00 0.26 H new ATOM 0 HA SER A 28 5.087 -12.122 6.373 1.00 0.32 H new ATOM 0 HB2 SER A 28 4.835 -12.022 8.897 1.00 0.40 H new ATOM 0 HB3 SER A 28 3.813 -13.182 8.072 1.00 0.40 H new ATOM 0 HG SER A 28 4.850 -14.095 9.936 1.00 1.54 H new ATOM 501 N ASP A 29 8.061 -12.812 7.212 1.00 0.27 N ATOM 502 CA ASP A 29 9.395 -12.273 7.380 1.00 0.34 C ATOM 503 C ASP A 29 9.870 -11.587 6.099 1.00 0.32 C ATOM 504 O ASP A 29 10.155 -10.390 6.111 1.00 0.44 O ATOM 505 CB ASP A 29 10.375 -13.378 7.783 1.00 0.38 C ATOM 506 CG ASP A 29 11.789 -12.866 7.973 1.00 0.97 C ATOM 507 OD1 ASP A 29 12.091 -12.324 9.057 1.00 0.96 O ATOM 508 OD2 ASP A 29 12.604 -12.993 7.033 1.00 1.68 O ATOM 0 H ASP A 29 8.036 -13.808 6.993 1.00 0.27 H new ATOM 0 HA ASP A 29 9.361 -11.529 8.176 1.00 0.34 H new ATOM 0 HB2 ASP A 29 10.033 -13.841 8.709 1.00 0.38 H new ATOM 0 HB3 ASP A 29 10.374 -14.155 7.019 1.00 0.38 H new ATOM 513 N ASP A 30 9.904 -12.316 4.976 1.00 0.22 N ATOM 514 CA ASP A 30 10.548 -11.793 3.768 1.00 0.21 C ATOM 515 C ASP A 30 9.716 -10.711 3.103 1.00 0.16 C ATOM 516 O ASP A 30 10.258 -9.690 2.685 1.00 0.17 O ATOM 517 CB ASP A 30 10.863 -12.906 2.771 1.00 0.23 C ATOM 518 CG ASP A 30 12.174 -13.597 3.065 1.00 0.89 C ATOM 519 OD1 ASP A 30 13.233 -12.939 2.977 1.00 1.22 O ATOM 520 OD2 ASP A 30 12.152 -14.804 3.383 1.00 1.81 O ATOM 0 H ASP A 30 9.502 -13.249 4.880 1.00 0.22 H new ATOM 0 HA ASP A 30 11.488 -11.344 4.089 1.00 0.21 H new ATOM 0 HB2 ASP A 30 10.058 -13.641 2.786 1.00 0.23 H new ATOM 0 HB3 ASP A 30 10.894 -12.489 1.765 1.00 0.23 H new ATOM 525 N ILE A 31 8.410 -10.942 2.990 1.00 0.14 N ATOM 526 CA ILE A 31 7.490 -9.934 2.474 1.00 0.14 C ATOM 527 C ILE A 31 7.754 -8.568 3.115 1.00 0.14 C ATOM 528 O ILE A 31 7.841 -7.549 2.428 1.00 0.16 O ATOM 529 CB ILE A 31 6.021 -10.319 2.753 1.00 0.21 C ATOM 530 CG1 ILE A 31 5.674 -11.693 2.170 1.00 0.38 C ATOM 531 CG2 ILE A 31 5.083 -9.255 2.197 1.00 0.16 C ATOM 532 CD1 ILE A 31 5.514 -11.715 0.670 1.00 0.42 C ATOM 0 H ILE A 31 7.965 -11.822 3.250 1.00 0.14 H new ATOM 0 HA ILE A 31 7.658 -9.879 1.398 1.00 0.14 H new ATOM 0 HB ILE A 31 5.893 -10.379 3.834 1.00 0.21 H new ATOM 0 HG12 ILE A 31 6.455 -12.400 2.450 1.00 0.38 H new ATOM 0 HG13 ILE A 31 4.748 -12.044 2.626 1.00 0.38 H new ATOM 0 HG21 ILE A 31 4.050 -9.538 2.400 1.00 0.16 H new ATOM 0 HG22 ILE A 31 5.297 -8.297 2.672 1.00 0.16 H new ATOM 0 HG23 ILE A 31 5.230 -9.167 1.121 1.00 0.16 H new ATOM 0 HD11 ILE A 31 5.269 -12.726 0.345 1.00 0.42 H new ATOM 0 HD12 ILE A 31 4.712 -11.037 0.380 1.00 0.42 H new ATOM 0 HD13 ILE A 31 6.445 -11.398 0.200 1.00 0.42 H new ATOM 544 N LYS A 32 7.904 -8.559 4.436 1.00 0.17 N ATOM 545 CA LYS A 32 8.070 -7.314 5.173 1.00 0.21 C ATOM 546 C LYS A 32 9.457 -6.713 4.946 1.00 0.20 C ATOM 547 O LYS A 32 9.598 -5.495 4.839 1.00 0.21 O ATOM 548 CB LYS A 32 7.817 -7.530 6.667 1.00 0.29 C ATOM 549 CG LYS A 32 6.452 -8.133 6.957 1.00 0.33 C ATOM 550 CD LYS A 32 5.337 -7.331 6.312 1.00 0.35 C ATOM 551 CE LYS A 32 4.045 -8.123 6.249 1.00 0.43 C ATOM 552 NZ LYS A 32 3.491 -8.421 7.597 1.00 0.88 N ATOM 0 H LYS A 32 7.914 -9.398 5.016 1.00 0.17 H new ATOM 0 HA LYS A 32 7.332 -6.606 4.795 1.00 0.21 H new ATOM 0 HB2 LYS A 32 8.590 -8.184 7.070 1.00 0.29 H new ATOM 0 HB3 LYS A 32 7.904 -6.576 7.186 1.00 0.29 H new ATOM 0 HG2 LYS A 32 6.422 -9.159 6.590 1.00 0.33 H new ATOM 0 HG3 LYS A 32 6.294 -8.175 8.035 1.00 0.33 H new ATOM 0 HD2 LYS A 32 5.175 -6.413 6.877 1.00 0.35 H new ATOM 0 HD3 LYS A 32 5.634 -7.038 5.305 1.00 0.35 H new ATOM 0 HE2 LYS A 32 3.308 -7.564 5.673 1.00 0.43 H new ATOM 0 HE3 LYS A 32 4.222 -9.058 5.718 1.00 0.43 H new ATOM 0 HZ1 LYS A 32 2.609 -8.963 7.498 1.00 0.88 H new ATOM 0 HZ2 LYS A 32 4.181 -8.978 8.140 1.00 0.88 H new ATOM 0 HZ3 LYS A 32 3.295 -7.530 8.097 1.00 0.88 H new ATOM 566 N LYS A 33 10.477 -7.562 4.863 1.00 0.21 N ATOM 567 CA LYS A 33 11.837 -7.094 4.596 1.00 0.22 C ATOM 568 C LYS A 33 11.918 -6.514 3.191 1.00 0.19 C ATOM 569 O LYS A 33 12.618 -5.529 2.952 1.00 0.19 O ATOM 570 CB LYS A 33 12.850 -8.233 4.712 1.00 0.28 C ATOM 571 CG LYS A 33 12.776 -9.027 6.006 1.00 0.35 C ATOM 572 CD LYS A 33 12.904 -8.146 7.236 1.00 0.49 C ATOM 573 CE LYS A 33 12.949 -8.985 8.502 1.00 0.62 C ATOM 574 NZ LYS A 33 12.895 -8.147 9.729 1.00 1.41 N ATOM 0 H LYS A 33 10.391 -8.572 4.976 1.00 0.21 H new ATOM 0 HA LYS A 33 12.075 -6.331 5.337 1.00 0.22 H new ATOM 0 HB2 LYS A 33 12.704 -8.916 3.875 1.00 0.28 H new ATOM 0 HB3 LYS A 33 13.853 -7.819 4.614 1.00 0.28 H new ATOM 0 HG2 LYS A 33 11.829 -9.565 6.045 1.00 0.35 H new ATOM 0 HG3 LYS A 33 13.568 -9.776 6.015 1.00 0.35 H new ATOM 0 HD2 LYS A 33 13.808 -7.542 7.163 1.00 0.49 H new ATOM 0 HD3 LYS A 33 12.062 -7.455 7.283 1.00 0.49 H new ATOM 0 HE2 LYS A 33 12.113 -9.684 8.503 1.00 0.62 H new ATOM 0 HE3 LYS A 33 13.862 -9.580 8.510 1.00 0.62 H new ATOM 0 HZ1 LYS A 33 12.928 -8.759 10.569 1.00 1.41 H new ATOM 0 HZ2 LYS A 33 13.707 -7.497 9.742 1.00 1.41 H new ATOM 0 HZ3 LYS A 33 12.012 -7.598 9.736 1.00 1.41 H new ATOM 588 N SER A 34 11.191 -7.144 2.272 1.00 0.18 N ATOM 589 CA SER A 34 11.116 -6.692 0.889 1.00 0.18 C ATOM 590 C SER A 34 10.613 -5.262 0.831 1.00 0.19 C ATOM 591 O SER A 34 10.964 -4.503 -0.066 1.00 0.30 O ATOM 592 CB SER A 34 10.185 -7.597 0.084 1.00 0.21 C ATOM 593 OG SER A 34 10.197 -7.262 -1.295 1.00 0.26 O ATOM 0 H SER A 34 10.639 -7.980 2.466 1.00 0.18 H new ATOM 0 HA SER A 34 12.116 -6.737 0.457 1.00 0.18 H new ATOM 0 HB2 SER A 34 10.488 -8.636 0.209 1.00 0.21 H new ATOM 0 HB3 SER A 34 9.170 -7.512 0.471 1.00 0.21 H new ATOM 0 HG SER A 34 10.780 -7.885 -1.778 1.00 0.26 H new ATOM 599 N TYR A 35 9.774 -4.916 1.790 1.00 0.17 N ATOM 600 CA TYR A 35 9.297 -3.556 1.931 1.00 0.18 C ATOM 601 C TYR A 35 10.374 -2.684 2.545 1.00 0.18 C ATOM 602 O TYR A 35 10.716 -1.658 2.003 1.00 0.26 O ATOM 603 CB TYR A 35 8.036 -3.516 2.806 1.00 0.22 C ATOM 604 CG TYR A 35 7.844 -2.210 3.562 1.00 0.24 C ATOM 605 CD1 TYR A 35 7.323 -1.090 2.921 1.00 0.33 C ATOM 606 CD2 TYR A 35 8.180 -2.094 4.903 1.00 0.29 C ATOM 607 CE1 TYR A 35 7.144 0.101 3.595 1.00 0.40 C ATOM 608 CE2 TYR A 35 8.005 -0.904 5.584 1.00 0.38 C ATOM 609 CZ TYR A 35 7.498 0.169 4.964 1.00 0.42 C ATOM 610 OH TYR A 35 7.311 1.379 5.595 1.00 0.51 O ATOM 0 H TYR A 35 9.408 -5.565 2.487 1.00 0.17 H new ATOM 0 HA TYR A 35 9.050 -3.175 0.940 1.00 0.18 H new ATOM 0 HB2 TYR A 35 7.164 -3.690 2.175 1.00 0.22 H new ATOM 0 HB3 TYR A 35 8.079 -4.335 3.523 1.00 0.22 H new ATOM 0 HD1 TYR A 35 7.054 -1.154 1.877 1.00 0.33 H new ATOM 0 HD2 TYR A 35 8.585 -2.949 5.424 1.00 0.29 H new ATOM 0 HE1 TYR A 35 6.741 0.965 3.087 1.00 0.40 H new ATOM 0 HE2 TYR A 35 8.280 -0.839 6.626 1.00 0.38 H new ATOM 0 HH TYR A 35 7.588 1.305 6.532 1.00 0.51 H new ATOM 620 N ARG A 36 10.922 -3.138 3.658 1.00 0.16 N ATOM 621 CA ARG A 36 11.768 -2.304 4.512 1.00 0.19 C ATOM 622 C ARG A 36 12.988 -1.758 3.791 1.00 0.21 C ATOM 623 O ARG A 36 13.077 -0.562 3.544 1.00 0.23 O ATOM 624 CB ARG A 36 12.230 -3.071 5.738 1.00 0.25 C ATOM 625 CG ARG A 36 11.117 -3.403 6.709 1.00 0.29 C ATOM 626 CD ARG A 36 11.682 -3.868 8.036 1.00 0.42 C ATOM 627 NE ARG A 36 10.643 -4.304 8.970 1.00 0.83 N ATOM 628 CZ ARG A 36 10.901 -4.797 10.184 1.00 1.30 C ATOM 629 NH1 ARG A 36 12.151 -4.847 10.628 1.00 1.53 N ATOM 630 NH2 ARG A 36 9.910 -5.214 10.962 1.00 1.74 N ATOM 0 H ARG A 36 10.798 -4.091 4.000 1.00 0.16 H new ATOM 0 HA ARG A 36 11.144 -1.461 4.808 1.00 0.19 H new ATOM 0 HB2 ARG A 36 12.707 -3.997 5.417 1.00 0.25 H new ATOM 0 HB3 ARG A 36 12.989 -2.485 6.257 1.00 0.25 H new ATOM 0 HG2 ARG A 36 10.489 -2.526 6.863 1.00 0.29 H new ATOM 0 HG3 ARG A 36 10.480 -4.181 6.287 1.00 0.29 H new ATOM 0 HD2 ARG A 36 12.377 -4.690 7.863 1.00 0.42 H new ATOM 0 HD3 ARG A 36 12.253 -3.057 8.487 1.00 0.42 H new ATOM 0 HE ARG A 36 9.669 -4.227 8.678 1.00 0.83 H new ATOM 0 HH11 ARG A 36 12.914 -4.509 10.042 1.00 1.53 H new ATOM 0 HH12 ARG A 36 12.348 -5.224 11.555 1.00 1.53 H new ATOM 0 HH21 ARG A 36 8.946 -5.159 10.634 1.00 1.74 H new ATOM 0 HH22 ARG A 36 10.112 -5.590 11.888 1.00 1.74 H new ATOM 644 N LYS A 37 13.923 -2.637 3.451 1.00 0.35 N ATOM 645 CA LYS A 37 15.196 -2.217 2.858 1.00 0.45 C ATOM 646 C LYS A 37 14.978 -1.504 1.525 1.00 0.40 C ATOM 647 O LYS A 37 15.842 -0.777 1.040 1.00 0.43 O ATOM 648 CB LYS A 37 16.120 -3.426 2.672 1.00 0.67 C ATOM 649 CG LYS A 37 15.512 -4.551 1.845 1.00 0.78 C ATOM 650 CD LYS A 37 16.415 -5.774 1.827 1.00 1.04 C ATOM 651 CE LYS A 37 15.760 -6.955 1.127 1.00 0.85 C ATOM 652 NZ LYS A 37 15.607 -6.735 -0.334 1.00 1.37 N ATOM 0 H LYS A 37 13.828 -3.645 3.574 1.00 0.35 H new ATOM 0 HA LYS A 37 15.669 -1.512 3.541 1.00 0.45 H new ATOM 0 HB2 LYS A 37 17.042 -3.095 2.194 1.00 0.67 H new ATOM 0 HB3 LYS A 37 16.392 -3.816 3.653 1.00 0.67 H new ATOM 0 HG2 LYS A 37 14.539 -4.821 2.255 1.00 0.78 H new ATOM 0 HG3 LYS A 37 15.344 -4.205 0.825 1.00 0.78 H new ATOM 0 HD2 LYS A 37 17.350 -5.527 1.324 1.00 1.04 H new ATOM 0 HD3 LYS A 37 16.668 -6.053 2.850 1.00 1.04 H new ATOM 0 HE2 LYS A 37 16.358 -7.851 1.296 1.00 0.85 H new ATOM 0 HE3 LYS A 37 14.780 -7.138 1.569 1.00 0.85 H new ATOM 0 HZ1 LYS A 37 15.156 -7.567 -0.765 1.00 1.37 H new ATOM 0 HZ2 LYS A 37 15.015 -5.896 -0.499 1.00 1.37 H new ATOM 0 HZ3 LYS A 37 16.543 -6.587 -0.763 1.00 1.37 H new ATOM 666 N LEU A 38 13.813 -1.729 0.952 1.00 0.45 N ATOM 667 CA LEU A 38 13.420 -1.134 -0.307 1.00 0.61 C ATOM 668 C LEU A 38 12.644 0.178 -0.037 1.00 0.60 C ATOM 669 O LEU A 38 12.552 1.054 -0.894 1.00 0.76 O ATOM 670 CB LEU A 38 12.652 -2.242 -1.077 1.00 1.00 C ATOM 671 CG LEU A 38 11.502 -1.881 -2.021 1.00 0.27 C ATOM 672 CD1 LEU A 38 10.309 -1.394 -1.230 1.00 0.57 C ATOM 673 CD2 LEU A 38 11.928 -0.872 -3.074 1.00 0.44 C ATOM 0 H LEU A 38 13.103 -2.340 1.355 1.00 0.45 H new ATOM 0 HA LEU A 38 14.251 -0.816 -0.936 1.00 0.61 H new ATOM 0 HB2 LEU A 38 13.387 -2.794 -1.663 1.00 1.00 H new ATOM 0 HB3 LEU A 38 12.253 -2.932 -0.334 1.00 1.00 H new ATOM 0 HG LEU A 38 11.210 -2.783 -2.558 1.00 0.27 H new ATOM 0 HD11 LEU A 38 9.498 -1.141 -1.913 1.00 0.57 H new ATOM 0 HD12 LEU A 38 9.978 -2.179 -0.550 1.00 0.57 H new ATOM 0 HD13 LEU A 38 10.589 -0.511 -0.656 1.00 0.57 H new ATOM 0 HD21 LEU A 38 11.082 -0.644 -3.723 1.00 0.44 H new ATOM 0 HD22 LEU A 38 12.268 0.041 -2.586 1.00 0.44 H new ATOM 0 HD23 LEU A 38 12.740 -1.289 -3.670 1.00 0.44 H new ATOM 685 N ALA A 39 12.141 0.319 1.188 1.00 0.49 N ATOM 686 CA ALA A 39 11.350 1.480 1.594 1.00 0.59 C ATOM 687 C ALA A 39 12.231 2.672 1.918 1.00 0.57 C ATOM 688 O ALA A 39 12.132 3.707 1.259 1.00 0.72 O ATOM 689 CB ALA A 39 10.468 1.147 2.784 1.00 0.59 C ATOM 0 H ALA A 39 12.271 -0.370 1.929 1.00 0.49 H new ATOM 0 HA ALA A 39 10.715 1.747 0.749 1.00 0.59 H new ATOM 0 HB1 ALA A 39 9.890 2.027 3.066 1.00 0.59 H new ATOM 0 HB2 ALA A 39 9.789 0.337 2.518 1.00 0.59 H new ATOM 0 HB3 ALA A 39 11.091 0.838 3.623 1.00 0.59 H new ATOM 695 N LEU A 40 13.110 2.541 2.923 1.00 0.44 N ATOM 696 CA LEU A 40 14.025 3.647 3.237 1.00 0.51 C ATOM 697 C LEU A 40 14.960 3.905 2.060 1.00 0.46 C ATOM 698 O LEU A 40 15.619 4.933 1.987 1.00 0.58 O ATOM 699 CB LEU A 40 14.821 3.464 4.558 1.00 0.56 C ATOM 700 CG LEU A 40 15.426 2.084 4.893 1.00 0.51 C ATOM 701 CD1 LEU A 40 14.373 1.162 5.479 1.00 0.48 C ATOM 702 CD2 LEU A 40 16.093 1.437 3.686 1.00 0.44 C ATOM 0 H LEU A 40 13.206 1.714 3.512 1.00 0.44 H new ATOM 0 HA LEU A 40 13.397 4.522 3.405 1.00 0.51 H new ATOM 0 HB2 LEU A 40 15.638 4.186 4.551 1.00 0.56 H new ATOM 0 HB3 LEU A 40 14.159 3.739 5.379 1.00 0.56 H new ATOM 0 HG LEU A 40 16.203 2.250 5.640 1.00 0.51 H new ATOM 0 HD11 LEU A 40 14.822 0.195 5.707 1.00 0.48 H new ATOM 0 HD12 LEU A 40 13.973 1.601 6.393 1.00 0.48 H new ATOM 0 HD13 LEU A 40 13.567 1.026 4.758 1.00 0.48 H new ATOM 0 HD21 LEU A 40 16.503 0.469 3.973 1.00 0.44 H new ATOM 0 HD22 LEU A 40 15.357 1.299 2.894 1.00 0.44 H new ATOM 0 HD23 LEU A 40 16.897 2.079 3.327 1.00 0.44 H new ATOM 714 N LYS A 41 14.964 2.964 1.131 1.00 0.37 N ATOM 715 CA LYS A 41 15.695 3.066 -0.115 1.00 0.40 C ATOM 716 C LYS A 41 15.168 4.229 -0.954 1.00 0.39 C ATOM 717 O LYS A 41 15.933 5.029 -1.493 1.00 0.48 O ATOM 718 CB LYS A 41 15.505 1.752 -0.834 1.00 0.51 C ATOM 719 CG LYS A 41 15.837 1.747 -2.299 1.00 0.62 C ATOM 720 CD LYS A 41 15.352 0.447 -2.880 1.00 0.65 C ATOM 721 CE LYS A 41 15.790 0.259 -4.306 1.00 0.72 C ATOM 722 NZ LYS A 41 15.299 -1.015 -4.887 1.00 1.41 N ATOM 0 H LYS A 41 14.447 2.090 1.227 1.00 0.37 H new ATOM 0 HA LYS A 41 16.752 3.261 0.064 1.00 0.40 H new ATOM 0 HB2 LYS A 41 16.119 0.999 -0.340 1.00 0.51 H new ATOM 0 HB3 LYS A 41 14.466 1.443 -0.716 1.00 0.51 H new ATOM 0 HG2 LYS A 41 15.361 2.590 -2.801 1.00 0.62 H new ATOM 0 HG3 LYS A 41 16.912 1.853 -2.447 1.00 0.62 H new ATOM 0 HD2 LYS A 41 15.725 -0.380 -2.276 1.00 0.65 H new ATOM 0 HD3 LYS A 41 14.264 0.413 -2.829 1.00 0.65 H new ATOM 0 HE2 LYS A 41 15.427 1.093 -4.907 1.00 0.72 H new ATOM 0 HE3 LYS A 41 16.879 0.281 -4.354 1.00 0.72 H new ATOM 0 HZ1 LYS A 41 15.857 -1.248 -5.733 1.00 1.41 H new ATOM 0 HZ2 LYS A 41 15.398 -1.777 -4.186 1.00 1.41 H new ATOM 0 HZ3 LYS A 41 14.298 -0.914 -5.149 1.00 1.41 H new ATOM 736 N TYR A 42 13.848 4.329 -1.013 1.00 0.36 N ATOM 737 CA TYR A 42 13.167 5.347 -1.806 1.00 0.36 C ATOM 738 C TYR A 42 12.792 6.544 -0.956 1.00 0.40 C ATOM 739 O TYR A 42 11.981 7.376 -1.355 1.00 0.40 O ATOM 740 CB TYR A 42 11.918 4.755 -2.438 1.00 0.33 C ATOM 741 CG TYR A 42 12.227 3.968 -3.674 1.00 0.36 C ATOM 742 CD1 TYR A 42 12.549 2.630 -3.584 1.00 0.38 C ATOM 743 CD2 TYR A 42 12.183 4.555 -4.924 1.00 0.38 C ATOM 744 CE1 TYR A 42 12.829 1.887 -4.712 1.00 0.43 C ATOM 745 CE2 TYR A 42 12.457 3.827 -6.061 1.00 0.44 C ATOM 746 CZ TYR A 42 12.814 2.533 -5.970 1.00 0.45 C ATOM 747 OH TYR A 42 13.062 1.757 -7.080 1.00 0.52 O ATOM 0 H TYR A 42 13.216 3.705 -0.511 1.00 0.36 H new ATOM 0 HA TYR A 42 13.850 5.684 -2.586 1.00 0.36 H new ATOM 0 HB2 TYR A 42 11.418 4.111 -1.715 1.00 0.33 H new ATOM 0 HB3 TYR A 42 11.223 5.557 -2.685 1.00 0.33 H new ATOM 0 HD1 TYR A 42 12.582 2.156 -2.614 1.00 0.38 H new ATOM 0 HD2 TYR A 42 11.930 5.601 -5.011 1.00 0.38 H new ATOM 0 HE1 TYR A 42 13.055 0.834 -4.636 1.00 0.43 H new ATOM 0 HE2 TYR A 42 12.385 4.297 -7.030 1.00 0.44 H new ATOM 0 HH TYR A 42 13.023 2.315 -7.885 1.00 0.52 H new ATOM 757 N HIS A 43 13.398 6.631 0.209 1.00 0.46 N ATOM 758 CA HIS A 43 13.106 7.703 1.137 1.00 0.53 C ATOM 759 C HIS A 43 13.684 9.012 0.606 1.00 0.56 C ATOM 760 O HIS A 43 14.899 9.133 0.442 1.00 0.62 O ATOM 761 CB HIS A 43 13.699 7.365 2.505 1.00 0.62 C ATOM 762 CG HIS A 43 13.003 8.023 3.657 1.00 0.71 C ATOM 763 ND1 HIS A 43 13.639 8.340 4.834 1.00 1.17 N ATOM 764 CD2 HIS A 43 11.712 8.395 3.819 1.00 0.87 C ATOM 765 CE1 HIS A 43 12.772 8.878 5.671 1.00 1.12 C ATOM 766 NE2 HIS A 43 11.595 8.924 5.079 1.00 0.87 N ATOM 0 H HIS A 43 14.100 5.968 0.537 1.00 0.46 H new ATOM 0 HA HIS A 43 12.027 7.819 1.242 1.00 0.53 H new ATOM 0 HB2 HIS A 43 13.667 6.285 2.645 1.00 0.62 H new ATOM 0 HB3 HIS A 43 14.749 7.657 2.515 1.00 0.62 H new ATOM 0 HD2 HIS A 43 10.921 8.294 3.091 1.00 0.87 H new ATOM 0 HE1 HIS A 43 12.990 9.222 6.671 1.00 1.12 H new ATOM 0 HE2 HIS A 43 10.738 9.293 5.491 1.00 0.87 H new ATOM 775 N PRO A 44 12.823 10.005 0.310 1.00 0.54 N ATOM 776 CA PRO A 44 13.245 11.321 -0.201 1.00 0.58 C ATOM 777 C PRO A 44 14.240 12.007 0.727 1.00 0.68 C ATOM 778 O PRO A 44 14.979 12.896 0.317 1.00 0.72 O ATOM 779 CB PRO A 44 11.943 12.127 -0.269 1.00 0.58 C ATOM 780 CG PRO A 44 10.970 11.364 0.561 1.00 0.57 C ATOM 781 CD PRO A 44 11.361 9.924 0.436 1.00 0.51 C ATOM 0 HA PRO A 44 13.754 11.234 -1.161 1.00 0.58 H new ATOM 0 HB2 PRO A 44 12.084 13.137 0.117 1.00 0.58 H new ATOM 0 HB3 PRO A 44 11.593 12.225 -1.297 1.00 0.58 H new ATOM 0 HG2 PRO A 44 11.005 11.689 1.601 1.00 0.57 H new ATOM 0 HG3 PRO A 44 9.950 11.523 0.211 1.00 0.57 H new ATOM 0 HD2 PRO A 44 11.060 9.344 1.308 1.00 0.51 H new ATOM 0 HD3 PRO A 44 10.904 9.453 -0.434 1.00 0.51 H new ATOM 789 N ASP A 45 14.246 11.580 1.981 1.00 0.74 N ATOM 790 CA ASP A 45 15.205 12.060 2.965 1.00 0.85 C ATOM 791 C ASP A 45 16.633 11.782 2.505 1.00 0.89 C ATOM 792 O ASP A 45 17.553 12.538 2.808 1.00 0.96 O ATOM 793 CB ASP A 45 14.940 11.381 4.305 1.00 0.92 C ATOM 794 CG ASP A 45 15.730 11.992 5.444 1.00 1.06 C ATOM 795 OD1 ASP A 45 15.302 13.034 5.983 1.00 1.11 O ATOM 796 OD2 ASP A 45 16.799 11.443 5.787 1.00 1.16 O ATOM 0 H ASP A 45 13.587 10.892 2.345 1.00 0.74 H new ATOM 0 HA ASP A 45 15.089 13.138 3.077 1.00 0.85 H new ATOM 0 HB2 ASP A 45 13.876 11.443 4.534 1.00 0.92 H new ATOM 0 HB3 ASP A 45 15.188 10.322 4.225 1.00 0.92 H new ATOM 801 N LYS A 46 16.808 10.693 1.759 1.00 0.87 N ATOM 802 CA LYS A 46 18.112 10.360 1.193 1.00 0.94 C ATOM 803 C LYS A 46 18.185 10.830 -0.244 1.00 0.90 C ATOM 804 O LYS A 46 19.267 11.007 -0.802 1.00 0.99 O ATOM 805 CB LYS A 46 18.373 8.852 1.193 1.00 1.00 C ATOM 806 CG LYS A 46 17.586 8.058 2.212 1.00 1.04 C ATOM 807 CD LYS A 46 18.076 6.620 2.284 1.00 1.13 C ATOM 808 CE LYS A 46 18.154 5.961 0.911 1.00 1.57 C ATOM 809 NZ LYS A 46 19.541 5.929 0.374 1.00 2.08 N ATOM 0 H LYS A 46 16.067 10.030 1.534 1.00 0.87 H new ATOM 0 HA LYS A 46 18.858 10.854 1.815 1.00 0.94 H new ATOM 0 HB2 LYS A 46 18.148 8.461 0.201 1.00 1.00 H new ATOM 0 HB3 LYS A 46 19.436 8.684 1.368 1.00 1.00 H new ATOM 0 HG2 LYS A 46 17.678 8.526 3.192 1.00 1.04 H new ATOM 0 HG3 LYS A 46 16.528 8.072 1.950 1.00 1.04 H new ATOM 0 HD2 LYS A 46 19.061 6.598 2.751 1.00 1.13 H new ATOM 0 HD3 LYS A 46 17.407 6.043 2.923 1.00 1.13 H new ATOM 0 HE2 LYS A 46 17.770 4.943 0.977 1.00 1.57 H new ATOM 0 HE3 LYS A 46 17.511 6.500 0.215 1.00 1.57 H new ATOM 0 HZ1 LYS A 46 19.517 6.053 -0.658 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 20.097 6.697 0.802 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 19.981 5.015 0.603 1.00 2.08 H new ATOM 823 N ASN A 47 17.022 11.023 -0.840 1.00 0.79 N ATOM 824 CA ASN A 47 16.934 11.311 -2.258 1.00 0.77 C ATOM 825 C ASN A 47 16.142 12.594 -2.493 1.00 0.74 C ATOM 826 O ASN A 47 14.967 12.553 -2.863 1.00 0.66 O ATOM 827 CB ASN A 47 16.273 10.149 -3.001 1.00 0.69 C ATOM 828 CG ASN A 47 16.935 8.803 -2.734 1.00 0.74 C ATOM 829 OD1 ASN A 47 17.833 8.384 -3.464 1.00 0.83 O ATOM 830 ND2 ASN A 47 16.494 8.113 -1.684 1.00 0.71 N ATOM 0 H ASN A 47 16.123 10.985 -0.361 1.00 0.79 H new ATOM 0 HA ASN A 47 17.945 11.445 -2.642 1.00 0.77 H new ATOM 0 HB2 ASN A 47 15.224 10.093 -2.712 1.00 0.69 H new ATOM 0 HB3 ASN A 47 16.298 10.351 -4.072 1.00 0.69 H new ATOM 0 HD21 ASN A 47 16.903 7.205 -1.462 1.00 0.71 H new ATOM 0 HD22 ASN A 47 15.748 8.492 -1.101 1.00 0.71 H new ATOM 837 N PRO A 48 16.766 13.746 -2.217 1.00 0.82 N ATOM 838 CA PRO A 48 16.167 15.068 -2.444 1.00 0.84 C ATOM 839 C PRO A 48 15.928 15.356 -3.919 1.00 0.84 C ATOM 840 O PRO A 48 16.562 14.750 -4.786 1.00 0.86 O ATOM 841 CB PRO A 48 17.217 16.032 -1.892 1.00 0.93 C ATOM 842 CG PRO A 48 18.493 15.266 -1.939 1.00 0.99 C ATOM 843 CD PRO A 48 18.108 13.850 -1.636 1.00 0.92 C ATOM 0 HA PRO A 48 15.189 15.151 -1.971 1.00 0.84 H new ATOM 0 HB2 PRO A 48 17.277 16.939 -2.493 1.00 0.93 H new ATOM 0 HB3 PRO A 48 16.977 16.339 -0.874 1.00 0.93 H new ATOM 0 HG2 PRO A 48 18.965 15.346 -2.918 1.00 0.99 H new ATOM 0 HG3 PRO A 48 19.208 15.645 -1.209 1.00 0.99 H new ATOM 0 HD2 PRO A 48 18.800 13.138 -2.086 1.00 0.92 H new ATOM 0 HD3 PRO A 48 18.101 13.654 -0.564 1.00 0.92 H new ATOM 851 N ASP A 49 15.007 16.281 -4.186 1.00 0.85 N ATOM 852 CA ASP A 49 14.644 16.669 -5.551 1.00 0.89 C ATOM 853 C ASP A 49 14.028 15.488 -6.288 1.00 0.82 C ATOM 854 O ASP A 49 13.932 15.470 -7.515 1.00 0.88 O ATOM 855 CB ASP A 49 15.865 17.204 -6.308 1.00 0.98 C ATOM 856 CG ASP A 49 15.505 17.849 -7.633 1.00 1.08 C ATOM 857 OD1 ASP A 49 14.699 18.803 -7.636 1.00 1.20 O ATOM 858 OD2 ASP A 49 16.021 17.397 -8.681 1.00 1.09 O ATOM 0 H ASP A 49 14.491 16.783 -3.464 1.00 0.85 H new ATOM 0 HA ASP A 49 13.905 17.468 -5.498 1.00 0.89 H new ATOM 0 HB2 ASP A 49 16.382 17.933 -5.684 1.00 0.98 H new ATOM 0 HB3 ASP A 49 16.562 16.386 -6.486 1.00 0.98 H new ATOM 863 N ASN A 50 13.583 14.504 -5.527 1.00 0.74 N ATOM 864 CA ASN A 50 12.980 13.324 -6.109 1.00 0.68 C ATOM 865 C ASN A 50 11.616 13.075 -5.480 1.00 0.64 C ATOM 866 O ASN A 50 11.495 12.378 -4.470 1.00 0.61 O ATOM 867 CB ASN A 50 13.884 12.101 -5.939 1.00 0.65 C ATOM 868 CG ASN A 50 13.481 10.954 -6.838 1.00 0.64 C ATOM 869 OD1 ASN A 50 12.328 10.844 -7.250 1.00 0.83 O ATOM 870 ND2 ASN A 50 14.423 10.081 -7.130 1.00 0.74 N ATOM 0 H ASN A 50 13.629 14.501 -4.508 1.00 0.74 H new ATOM 0 HA ASN A 50 12.851 13.494 -7.178 1.00 0.68 H new ATOM 0 HB2 ASN A 50 14.915 12.382 -6.154 1.00 0.65 H new ATOM 0 HB3 ASN A 50 13.854 11.772 -4.900 1.00 0.65 H new ATOM 0 HD21 ASN A 50 14.208 9.276 -7.719 1.00 0.74 H new ATOM 0 HD22 ASN A 50 15.368 10.210 -6.767 1.00 0.74 H new ATOM 877 N PRO A 51 10.577 13.691 -6.054 1.00 0.67 N ATOM 878 CA PRO A 51 9.196 13.498 -5.621 1.00 0.68 C ATOM 879 C PRO A 51 8.695 12.128 -6.039 1.00 0.66 C ATOM 880 O PRO A 51 7.801 11.551 -5.419 1.00 0.67 O ATOM 881 CB PRO A 51 8.414 14.595 -6.352 1.00 0.78 C ATOM 882 CG PRO A 51 9.436 15.458 -7.016 1.00 0.79 C ATOM 883 CD PRO A 51 10.672 14.629 -7.172 1.00 0.73 C ATOM 0 HA PRO A 51 9.087 13.555 -4.538 1.00 0.68 H new ATOM 0 HB2 PRO A 51 7.731 14.165 -7.085 1.00 0.78 H new ATOM 0 HB3 PRO A 51 7.809 15.174 -5.654 1.00 0.78 H new ATOM 0 HG2 PRO A 51 9.078 15.803 -7.986 1.00 0.79 H new ATOM 0 HG3 PRO A 51 9.640 16.346 -6.417 1.00 0.79 H new ATOM 0 HD2 PRO A 51 10.694 14.113 -8.132 1.00 0.73 H new ATOM 0 HD3 PRO A 51 11.576 15.236 -7.115 1.00 0.73 H new ATOM 891 N GLU A 52 9.292 11.618 -7.107 1.00 0.66 N ATOM 892 CA GLU A 52 8.992 10.281 -7.594 1.00 0.67 C ATOM 893 C GLU A 52 9.340 9.247 -6.536 1.00 0.57 C ATOM 894 O GLU A 52 8.642 8.253 -6.380 1.00 0.56 O ATOM 895 CB GLU A 52 9.774 9.980 -8.870 1.00 0.72 C ATOM 896 CG GLU A 52 9.671 11.064 -9.924 1.00 0.95 C ATOM 897 CD GLU A 52 10.365 10.674 -11.210 1.00 1.28 C ATOM 898 OE1 GLU A 52 11.609 10.780 -11.272 1.00 1.66 O ATOM 899 OE2 GLU A 52 9.674 10.274 -12.169 1.00 1.53 O ATOM 0 H GLU A 52 9.993 12.116 -7.656 1.00 0.66 H new ATOM 0 HA GLU A 52 7.925 10.234 -7.814 1.00 0.67 H new ATOM 0 HB2 GLU A 52 10.824 9.833 -8.615 1.00 0.72 H new ATOM 0 HB3 GLU A 52 9.414 9.041 -9.292 1.00 0.72 H new ATOM 0 HG2 GLU A 52 8.621 11.272 -10.128 1.00 0.95 H new ATOM 0 HG3 GLU A 52 10.110 11.985 -9.540 1.00 0.95 H new ATOM 906 N ALA A 53 10.426 9.490 -5.814 1.00 0.53 N ATOM 907 CA ALA A 53 10.847 8.598 -4.744 1.00 0.46 C ATOM 908 C ALA A 53 9.788 8.537 -3.654 1.00 0.42 C ATOM 909 O ALA A 53 9.489 7.466 -3.140 1.00 0.37 O ATOM 910 CB ALA A 53 12.188 9.031 -4.174 1.00 0.47 C ATOM 0 H ALA A 53 11.032 10.299 -5.951 1.00 0.53 H new ATOM 0 HA ALA A 53 10.968 7.598 -5.160 1.00 0.46 H new ATOM 0 HB1 ALA A 53 12.481 8.349 -3.376 1.00 0.47 H new ATOM 0 HB2 ALA A 53 12.941 9.013 -4.962 1.00 0.47 H new ATOM 0 HB3 ALA A 53 12.104 10.042 -3.775 1.00 0.47 H new ATOM 916 N ALA A 54 9.214 9.691 -3.317 1.00 0.45 N ATOM 917 CA ALA A 54 8.077 9.750 -2.401 1.00 0.44 C ATOM 918 C ALA A 54 6.939 8.879 -2.910 1.00 0.43 C ATOM 919 O ALA A 54 6.285 8.166 -2.151 1.00 0.41 O ATOM 920 CB ALA A 54 7.586 11.179 -2.264 1.00 0.51 C ATOM 0 H ALA A 54 9.519 10.600 -3.666 1.00 0.45 H new ATOM 0 HA ALA A 54 8.405 9.383 -1.428 1.00 0.44 H new ATOM 0 HB1 ALA A 54 6.739 11.209 -1.579 1.00 0.51 H new ATOM 0 HB2 ALA A 54 8.390 11.804 -1.875 1.00 0.51 H new ATOM 0 HB3 ALA A 54 7.276 11.552 -3.240 1.00 0.51 H new ATOM 926 N ASP A 55 6.717 8.957 -4.210 1.00 0.46 N ATOM 927 CA ASP A 55 5.679 8.191 -4.878 1.00 0.47 C ATOM 928 C ASP A 55 5.971 6.697 -4.806 1.00 0.39 C ATOM 929 O ASP A 55 5.100 5.902 -4.450 1.00 0.36 O ATOM 930 CB ASP A 55 5.577 8.655 -6.325 1.00 0.57 C ATOM 931 CG ASP A 55 4.567 7.865 -7.127 1.00 0.63 C ATOM 932 OD1 ASP A 55 3.370 8.226 -7.093 1.00 0.72 O ATOM 933 OD2 ASP A 55 4.960 6.877 -7.781 1.00 0.66 O ATOM 0 H ASP A 55 7.255 9.557 -4.836 1.00 0.46 H new ATOM 0 HA ASP A 55 4.727 8.359 -4.375 1.00 0.47 H new ATOM 0 HB2 ASP A 55 5.304 9.710 -6.344 1.00 0.57 H new ATOM 0 HB3 ASP A 55 6.555 8.570 -6.798 1.00 0.57 H new ATOM 938 N LYS A 56 7.199 6.322 -5.139 1.00 0.39 N ATOM 939 CA LYS A 56 7.641 4.942 -5.001 1.00 0.34 C ATOM 940 C LYS A 56 7.522 4.496 -3.550 1.00 0.28 C ATOM 941 O LYS A 56 7.017 3.417 -3.262 1.00 0.26 O ATOM 942 CB LYS A 56 9.090 4.808 -5.456 1.00 0.38 C ATOM 943 CG LYS A 56 9.382 5.424 -6.818 1.00 0.48 C ATOM 944 CD LYS A 56 9.241 4.429 -7.959 1.00 0.64 C ATOM 945 CE LYS A 56 7.854 3.811 -8.034 1.00 0.83 C ATOM 946 NZ LYS A 56 6.802 4.803 -8.385 1.00 0.98 N ATOM 0 H LYS A 56 7.908 6.956 -5.507 1.00 0.39 H new ATOM 0 HA LYS A 56 7.008 4.310 -5.624 1.00 0.34 H new ATOM 0 HB2 LYS A 56 9.736 5.276 -4.713 1.00 0.38 H new ATOM 0 HB3 LYS A 56 9.352 3.750 -5.485 1.00 0.38 H new ATOM 0 HG2 LYS A 56 8.704 6.260 -6.986 1.00 0.48 H new ATOM 0 HG3 LYS A 56 10.394 5.829 -6.819 1.00 0.48 H new ATOM 0 HD2 LYS A 56 9.462 4.930 -8.901 1.00 0.64 H new ATOM 0 HD3 LYS A 56 9.980 3.637 -7.838 1.00 0.64 H new ATOM 0 HE2 LYS A 56 7.856 3.012 -8.775 1.00 0.83 H new ATOM 0 HE3 LYS A 56 7.612 3.355 -7.074 1.00 0.83 H new ATOM 0 HZ1 LYS A 56 5.865 4.358 -8.307 1.00 0.98 H new ATOM 0 HZ2 LYS A 56 6.856 5.612 -7.734 1.00 0.98 H new ATOM 0 HZ3 LYS A 56 6.948 5.133 -9.360 1.00 0.98 H new ATOM 960 N PHE A 57 7.963 5.358 -2.641 1.00 0.27 N ATOM 961 CA PHE A 57 7.915 5.081 -1.209 1.00 0.24 C ATOM 962 C PHE A 57 6.478 4.869 -0.759 1.00 0.24 C ATOM 963 O PHE A 57 6.210 4.161 0.202 1.00 0.26 O ATOM 964 CB PHE A 57 8.554 6.236 -0.426 1.00 0.27 C ATOM 965 CG PHE A 57 8.502 6.069 1.065 1.00 0.27 C ATOM 966 CD1 PHE A 57 9.355 5.188 1.707 1.00 0.31 C ATOM 967 CD2 PHE A 57 7.599 6.795 1.826 1.00 0.30 C ATOM 968 CE1 PHE A 57 9.310 5.033 3.078 1.00 0.36 C ATOM 969 CE2 PHE A 57 7.551 6.645 3.198 1.00 0.34 C ATOM 970 CZ PHE A 57 8.407 5.762 3.824 1.00 0.37 C ATOM 0 H PHE A 57 8.363 6.267 -2.874 1.00 0.27 H new ATOM 0 HA PHE A 57 8.478 4.169 -1.010 1.00 0.24 H new ATOM 0 HB2 PHE A 57 9.595 6.337 -0.733 1.00 0.27 H new ATOM 0 HB3 PHE A 57 8.051 7.165 -0.694 1.00 0.27 H new ATOM 0 HD1 PHE A 57 10.064 4.615 1.128 1.00 0.31 H new ATOM 0 HD2 PHE A 57 6.925 7.486 1.340 1.00 0.30 H new ATOM 0 HE1 PHE A 57 9.981 4.342 3.566 1.00 0.36 H new ATOM 0 HE2 PHE A 57 6.845 7.218 3.780 1.00 0.34 H new ATOM 0 HZ PHE A 57 8.370 5.642 4.897 1.00 0.37 H new ATOM 980 N LYS A 58 5.564 5.468 -1.491 1.00 0.26 N ATOM 981 CA LYS A 58 4.152 5.409 -1.175 1.00 0.28 C ATOM 982 C LYS A 58 3.523 4.090 -1.639 1.00 0.26 C ATOM 983 O LYS A 58 2.683 3.523 -0.941 1.00 0.29 O ATOM 984 CB LYS A 58 3.473 6.633 -1.798 1.00 0.32 C ATOM 985 CG LYS A 58 2.101 6.384 -2.403 1.00 0.36 C ATOM 986 CD LYS A 58 1.474 7.673 -2.918 1.00 0.52 C ATOM 987 CE LYS A 58 2.359 8.359 -3.951 1.00 0.79 C ATOM 988 NZ LYS A 58 1.705 9.559 -4.538 1.00 1.41 N ATOM 0 H LYS A 58 5.780 6.012 -2.326 1.00 0.26 H new ATOM 0 HA LYS A 58 4.010 5.433 -0.095 1.00 0.28 H new ATOM 0 HB2 LYS A 58 3.379 7.403 -1.032 1.00 0.32 H new ATOM 0 HB3 LYS A 58 4.126 7.033 -2.574 1.00 0.32 H new ATOM 0 HG2 LYS A 58 2.188 5.669 -3.221 1.00 0.36 H new ATOM 0 HG3 LYS A 58 1.448 5.935 -1.654 1.00 0.36 H new ATOM 0 HD2 LYS A 58 0.502 7.453 -3.360 1.00 0.52 H new ATOM 0 HD3 LYS A 58 1.298 8.351 -2.083 1.00 0.52 H new ATOM 0 HE2 LYS A 58 3.300 8.651 -3.485 1.00 0.79 H new ATOM 0 HE3 LYS A 58 2.602 7.654 -4.746 1.00 0.79 H new ATOM 0 HZ1 LYS A 58 2.341 9.995 -5.235 1.00 1.41 H new ATOM 0 HZ2 LYS A 58 0.819 9.278 -5.005 1.00 1.41 H new ATOM 0 HZ3 LYS A 58 1.496 10.244 -3.784 1.00 1.41 H new ATOM 1002 N GLU A 59 3.942 3.589 -2.796 1.00 0.25 N ATOM 1003 CA GLU A 59 3.438 2.308 -3.286 1.00 0.24 C ATOM 1004 C GLU A 59 4.109 1.149 -2.561 1.00 0.23 C ATOM 1005 O GLU A 59 3.475 0.130 -2.279 1.00 0.25 O ATOM 1006 CB GLU A 59 3.628 2.171 -4.799 1.00 0.28 C ATOM 1007 CG GLU A 59 5.029 2.489 -5.284 1.00 0.32 C ATOM 1008 CD GLU A 59 5.184 2.295 -6.774 1.00 0.40 C ATOM 1009 OE1 GLU A 59 4.706 3.154 -7.542 1.00 0.54 O ATOM 1010 OE2 GLU A 59 5.793 1.291 -7.190 1.00 0.51 O ATOM 0 H GLU A 59 4.621 4.043 -3.407 1.00 0.25 H new ATOM 0 HA GLU A 59 2.368 2.277 -3.078 1.00 0.24 H new ATOM 0 HB2 GLU A 59 3.377 1.152 -5.094 1.00 0.28 H new ATOM 0 HB3 GLU A 59 2.923 2.832 -5.303 1.00 0.28 H new ATOM 0 HG2 GLU A 59 5.273 3.520 -5.028 1.00 0.32 H new ATOM 0 HG3 GLU A 59 5.744 1.853 -4.762 1.00 0.32 H new ATOM 1017 N ILE A 60 5.389 1.304 -2.252 1.00 0.23 N ATOM 1018 CA ILE A 60 6.112 0.279 -1.512 1.00 0.24 C ATOM 1019 C ILE A 60 5.633 0.254 -0.071 1.00 0.24 C ATOM 1020 O ILE A 60 5.619 -0.793 0.574 1.00 0.27 O ATOM 1021 CB ILE A 60 7.641 0.490 -1.577 1.00 0.26 C ATOM 1022 CG1 ILE A 60 8.050 1.777 -0.869 1.00 0.24 C ATOM 1023 CG2 ILE A 60 8.098 0.514 -3.025 1.00 0.29 C ATOM 1024 CD1 ILE A 60 9.504 2.147 -1.065 1.00 0.28 C ATOM 0 H ILE A 60 5.945 2.123 -2.500 1.00 0.23 H new ATOM 0 HA ILE A 60 5.904 -0.684 -1.978 1.00 0.24 H new ATOM 0 HB ILE A 60 8.124 -0.341 -1.063 1.00 0.26 H new ATOM 0 HG12 ILE A 60 7.425 2.594 -1.230 1.00 0.24 H new ATOM 0 HG13 ILE A 60 7.852 1.672 0.198 1.00 0.24 H new ATOM 0 HG21 ILE A 60 9.177 0.663 -3.064 1.00 0.29 H new ATOM 0 HG22 ILE A 60 7.845 -0.433 -3.502 1.00 0.29 H new ATOM 0 HG23 ILE A 60 7.600 1.329 -3.550 1.00 0.29 H new ATOM 0 HD11 ILE A 60 9.719 3.073 -0.532 1.00 0.28 H new ATOM 0 HD12 ILE A 60 10.138 1.350 -0.677 1.00 0.28 H new ATOM 0 HD13 ILE A 60 9.704 2.285 -2.127 1.00 0.28 H new ATOM 1036 N ASN A 61 5.201 1.419 0.403 1.00 0.24 N ATOM 1037 CA ASN A 61 4.561 1.548 1.705 1.00 0.28 C ATOM 1038 C ASN A 61 3.307 0.677 1.760 1.00 0.29 C ATOM 1039 O ASN A 61 2.905 0.197 2.820 1.00 0.36 O ATOM 1040 CB ASN A 61 4.188 3.020 1.945 1.00 0.36 C ATOM 1041 CG ASN A 61 3.288 3.240 3.148 1.00 0.51 C ATOM 1042 OD1 ASN A 61 3.761 3.423 4.268 1.00 0.62 O ATOM 1043 ND2 ASN A 61 1.982 3.252 2.919 1.00 0.60 N ATOM 0 H ASN A 61 5.285 2.299 -0.106 1.00 0.24 H new ATOM 0 HA ASN A 61 5.251 1.218 2.481 1.00 0.28 H new ATOM 0 HB2 ASN A 61 5.102 3.599 2.077 1.00 0.36 H new ATOM 0 HB3 ASN A 61 3.691 3.408 1.056 1.00 0.36 H new ATOM 0 HD21 ASN A 61 1.331 3.417 3.687 1.00 0.60 H new ATOM 0 HD22 ASN A 61 1.628 3.096 1.975 1.00 0.60 H new ATOM 1050 N ASN A 62 2.717 0.471 0.587 1.00 0.25 N ATOM 1051 CA ASN A 62 1.452 -0.237 0.455 1.00 0.27 C ATOM 1052 C ASN A 62 1.653 -1.746 0.393 1.00 0.22 C ATOM 1053 O ASN A 62 1.141 -2.476 1.230 1.00 0.20 O ATOM 1054 CB ASN A 62 0.747 0.207 -0.819 1.00 0.32 C ATOM 1055 CG ASN A 62 -0.683 -0.253 -0.879 1.00 0.36 C ATOM 1056 OD1 ASN A 62 -1.582 0.462 -0.466 1.00 0.77 O ATOM 1057 ND2 ASN A 62 -0.902 -1.451 -1.397 1.00 0.21 N ATOM 0 H ASN A 62 3.105 0.792 -0.300 1.00 0.25 H new ATOM 0 HA ASN A 62 0.852 0.000 1.333 1.00 0.27 H new ATOM 0 HB2 ASN A 62 0.778 1.294 -0.887 1.00 0.32 H new ATOM 0 HB3 ASN A 62 1.286 -0.182 -1.683 1.00 0.32 H new ATOM 0 HD21 ASN A 62 -1.854 -1.812 -1.464 1.00 0.21 H new ATOM 0 HD22 ASN A 62 -0.119 -2.014 -1.730 1.00 0.21 H new ATOM 1064 N ALA A 63 2.409 -2.204 -0.611 1.00 0.20 N ATOM 1065 CA ALA A 63 2.552 -3.636 -0.902 1.00 0.18 C ATOM 1066 C ALA A 63 3.120 -4.418 0.287 1.00 0.14 C ATOM 1067 O ALA A 63 3.047 -5.647 0.325 1.00 0.14 O ATOM 1068 CB ALA A 63 3.440 -3.826 -2.118 1.00 0.19 C ATOM 0 H ALA A 63 2.935 -1.598 -1.241 1.00 0.20 H new ATOM 0 HA ALA A 63 1.556 -4.030 -1.103 1.00 0.18 H new ATOM 0 HB1 ALA A 63 3.543 -4.890 -2.330 1.00 0.19 H new ATOM 0 HB2 ALA A 63 2.992 -3.326 -2.977 1.00 0.19 H new ATOM 0 HB3 ALA A 63 4.423 -3.398 -1.921 1.00 0.19 H new ATOM 1074 N HIS A 64 3.674 -3.677 1.235 1.00 0.13 N ATOM 1075 CA HIS A 64 4.316 -4.213 2.435 1.00 0.11 C ATOM 1076 C HIS A 64 3.554 -5.383 3.073 1.00 0.13 C ATOM 1077 O HIS A 64 4.101 -6.474 3.213 1.00 0.20 O ATOM 1078 CB HIS A 64 4.487 -3.049 3.425 1.00 0.15 C ATOM 1079 CG HIS A 64 4.671 -3.429 4.863 1.00 0.37 C ATOM 1080 ND1 HIS A 64 3.763 -3.095 5.840 1.00 1.02 N ATOM 1081 CD2 HIS A 64 5.679 -4.066 5.494 1.00 1.02 C ATOM 1082 CE1 HIS A 64 4.206 -3.504 7.009 1.00 1.00 C ATOM 1083 NE2 HIS A 64 5.372 -4.098 6.832 1.00 0.96 N ATOM 0 H HIS A 64 3.692 -2.658 1.193 1.00 0.13 H new ATOM 0 HA HIS A 64 5.281 -4.636 2.155 1.00 0.11 H new ATOM 0 HB2 HIS A 64 5.348 -2.457 3.114 1.00 0.15 H new ATOM 0 HB3 HIS A 64 3.612 -2.403 3.350 1.00 0.15 H new ATOM 0 HD2 HIS A 64 6.565 -4.476 5.032 1.00 1.02 H new ATOM 0 HE1 HIS A 64 3.701 -3.376 7.955 1.00 1.00 H new ATOM 0 HE2 HIS A 64 5.948 -4.511 7.566 1.00 0.96 H new ATOM 1092 N ALA A 65 2.317 -5.157 3.484 1.00 0.14 N ATOM 1093 CA ALA A 65 1.565 -6.182 4.198 1.00 0.17 C ATOM 1094 C ALA A 65 0.751 -7.067 3.262 1.00 0.13 C ATOM 1095 O ALA A 65 0.592 -8.260 3.516 1.00 0.14 O ATOM 1096 CB ALA A 65 0.647 -5.542 5.225 1.00 0.25 C ATOM 0 H ALA A 65 1.814 -4.282 3.338 1.00 0.14 H new ATOM 0 HA ALA A 65 2.294 -6.819 4.699 1.00 0.17 H new ATOM 0 HB1 ALA A 65 0.092 -6.319 5.751 1.00 0.25 H new ATOM 0 HB2 ALA A 65 1.241 -4.974 5.940 1.00 0.25 H new ATOM 0 HB3 ALA A 65 -0.052 -4.874 4.722 1.00 0.25 H new ATOM 1102 N ILE A 66 0.271 -6.482 2.172 1.00 0.13 N ATOM 1103 CA ILE A 66 -0.745 -7.112 1.322 1.00 0.12 C ATOM 1104 C ILE A 66 -0.373 -8.534 0.923 1.00 0.13 C ATOM 1105 O ILE A 66 -1.158 -9.458 1.086 1.00 0.21 O ATOM 1106 CB ILE A 66 -0.992 -6.326 0.019 1.00 0.13 C ATOM 1107 CG1 ILE A 66 -0.582 -4.857 0.154 1.00 0.14 C ATOM 1108 CG2 ILE A 66 -2.458 -6.436 -0.371 1.00 0.13 C ATOM 1109 CD1 ILE A 66 -1.384 -4.071 1.159 1.00 0.14 C ATOM 0 H ILE A 66 0.570 -5.562 1.849 1.00 0.13 H new ATOM 0 HA ILE A 66 -1.647 -7.119 1.935 1.00 0.12 H new ATOM 0 HB ILE A 66 -0.372 -6.762 -0.764 1.00 0.13 H new ATOM 0 HG12 ILE A 66 0.471 -4.812 0.433 1.00 0.14 H new ATOM 0 HG13 ILE A 66 -0.674 -4.377 -0.820 1.00 0.14 H new ATOM 0 HG21 ILE A 66 -2.632 -5.880 -1.292 1.00 0.13 H new ATOM 0 HG22 ILE A 66 -2.716 -7.484 -0.525 1.00 0.13 H new ATOM 0 HG23 ILE A 66 -3.078 -6.023 0.425 1.00 0.13 H new ATOM 0 HD11 ILE A 66 -1.024 -3.042 1.187 1.00 0.14 H new ATOM 0 HD12 ILE A 66 -2.436 -4.080 0.872 1.00 0.14 H new ATOM 0 HD13 ILE A 66 -1.273 -4.521 2.145 1.00 0.14 H new ATOM 1121 N LEU A 67 0.839 -8.684 0.425 1.00 0.12 N ATOM 1122 CA LEU A 67 1.298 -9.919 -0.210 1.00 0.14 C ATOM 1123 C LEU A 67 1.063 -11.145 0.660 1.00 0.16 C ATOM 1124 O LEU A 67 0.632 -12.193 0.180 1.00 0.21 O ATOM 1125 CB LEU A 67 2.785 -9.797 -0.514 1.00 0.15 C ATOM 1126 CG LEU A 67 3.205 -8.443 -1.070 1.00 0.14 C ATOM 1127 CD1 LEU A 67 4.681 -8.440 -1.402 1.00 0.16 C ATOM 1128 CD2 LEU A 67 2.356 -8.094 -2.285 1.00 0.16 C ATOM 0 H LEU A 67 1.545 -7.948 0.447 1.00 0.12 H new ATOM 0 HA LEU A 67 0.721 -10.054 -1.125 1.00 0.14 H new ATOM 0 HB2 LEU A 67 3.347 -9.991 0.399 1.00 0.15 H new ATOM 0 HB3 LEU A 67 3.062 -10.571 -1.229 1.00 0.15 H new ATOM 0 HG LEU A 67 3.040 -7.678 -0.312 1.00 0.14 H new ATOM 0 HD11 LEU A 67 4.963 -7.464 -1.798 1.00 0.16 H new ATOM 0 HD12 LEU A 67 5.257 -8.646 -0.500 1.00 0.16 H new ATOM 0 HD13 LEU A 67 4.888 -9.208 -2.148 1.00 0.16 H new ATOM 0 HD21 LEU A 67 2.663 -7.124 -2.677 1.00 0.16 H new ATOM 0 HD22 LEU A 67 2.491 -8.855 -3.054 1.00 0.16 H new ATOM 0 HD23 LEU A 67 1.306 -8.053 -1.995 1.00 0.16 H new ATOM 1140 N THR A 68 1.351 -11.002 1.933 1.00 0.15 N ATOM 1141 CA THR A 68 1.280 -12.110 2.863 1.00 0.18 C ATOM 1142 C THR A 68 0.000 -12.054 3.698 1.00 0.18 C ATOM 1143 O THR A 68 -0.484 -13.079 4.181 1.00 0.23 O ATOM 1144 CB THR A 68 2.523 -12.097 3.777 1.00 0.21 C ATOM 1145 OG1 THR A 68 2.383 -13.025 4.859 1.00 0.27 O ATOM 1146 CG2 THR A 68 2.763 -10.698 4.319 1.00 0.20 C ATOM 0 H THR A 68 1.640 -10.119 2.354 1.00 0.15 H new ATOM 0 HA THR A 68 1.260 -13.039 2.294 1.00 0.18 H new ATOM 0 HB THR A 68 3.381 -12.402 3.178 1.00 0.21 H new ATOM 0 HG1 THR A 68 3.186 -12.996 5.420 1.00 0.27 H new ATOM 0 HG21 THR A 68 3.643 -10.703 4.962 1.00 0.20 H new ATOM 0 HG22 THR A 68 2.924 -10.009 3.490 1.00 0.20 H new ATOM 0 HG23 THR A 68 1.895 -10.377 4.894 1.00 0.20 H new ATOM 1154 N ASP A 69 -0.564 -10.864 3.840 1.00 0.17 N ATOM 1155 CA ASP A 69 -1.717 -10.674 4.707 1.00 0.19 C ATOM 1156 C ASP A 69 -3.019 -10.862 3.942 1.00 0.17 C ATOM 1157 O ASP A 69 -3.298 -10.141 2.984 1.00 0.19 O ATOM 1158 CB ASP A 69 -1.689 -9.286 5.334 1.00 0.21 C ATOM 1159 CG ASP A 69 -2.557 -9.214 6.566 1.00 0.27 C ATOM 1160 OD1 ASP A 69 -3.765 -8.939 6.424 1.00 0.28 O ATOM 1161 OD2 ASP A 69 -2.038 -9.420 7.678 1.00 0.58 O ATOM 0 H ASP A 69 -0.244 -10.018 3.368 1.00 0.17 H new ATOM 0 HA ASP A 69 -1.666 -11.427 5.494 1.00 0.19 H new ATOM 0 HB2 ASP A 69 -0.663 -9.025 5.595 1.00 0.21 H new ATOM 0 HB3 ASP A 69 -2.029 -8.550 4.605 1.00 0.21 H new ATOM 1166 N ALA A 70 -3.816 -11.823 4.386 1.00 0.19 N ATOM 1167 CA ALA A 70 -5.089 -12.133 3.747 1.00 0.21 C ATOM 1168 C ALA A 70 -6.054 -10.966 3.842 1.00 0.18 C ATOM 1169 O ALA A 70 -6.837 -10.733 2.927 1.00 0.19 O ATOM 1170 CB ALA A 70 -5.702 -13.375 4.367 1.00 0.27 C ATOM 0 H ALA A 70 -3.602 -12.407 5.194 1.00 0.19 H new ATOM 0 HA ALA A 70 -4.896 -12.323 2.691 1.00 0.21 H new ATOM 0 HB1 ALA A 70 -6.652 -13.594 3.880 1.00 0.27 H new ATOM 0 HB2 ALA A 70 -5.024 -14.219 4.237 1.00 0.27 H new ATOM 0 HB3 ALA A 70 -5.870 -13.206 5.430 1.00 0.27 H new ATOM 1176 N THR A 71 -5.984 -10.223 4.935 1.00 0.17 N ATOM 1177 CA THR A 71 -6.849 -9.072 5.109 1.00 0.17 C ATOM 1178 C THR A 71 -6.545 -8.017 4.056 1.00 0.14 C ATOM 1179 O THR A 71 -7.435 -7.550 3.358 1.00 0.15 O ATOM 1180 CB THR A 71 -6.701 -8.449 6.505 1.00 0.20 C ATOM 1181 OG1 THR A 71 -7.044 -9.409 7.518 1.00 0.25 O ATOM 1182 CG2 THR A 71 -7.586 -7.221 6.635 1.00 0.21 C ATOM 0 H THR A 71 -5.342 -10.396 5.708 1.00 0.17 H new ATOM 0 HA THR A 71 -7.875 -9.423 4.998 1.00 0.17 H new ATOM 0 HB THR A 71 -5.662 -8.149 6.639 1.00 0.20 H new ATOM 0 HG1 THR A 71 -6.944 -9.000 8.403 1.00 0.25 H new ATOM 0 HG21 THR A 71 -7.469 -6.792 7.630 1.00 0.21 H new ATOM 0 HG22 THR A 71 -7.298 -6.484 5.886 1.00 0.21 H new ATOM 0 HG23 THR A 71 -8.627 -7.505 6.483 1.00 0.21 H new ATOM 1190 N LYS A 72 -5.278 -7.659 3.926 1.00 0.13 N ATOM 1191 CA LYS A 72 -4.873 -6.672 2.956 1.00 0.13 C ATOM 1192 C LYS A 72 -5.121 -7.183 1.540 1.00 0.12 C ATOM 1193 O LYS A 72 -5.496 -6.416 0.668 1.00 0.13 O ATOM 1194 CB LYS A 72 -3.407 -6.293 3.157 1.00 0.15 C ATOM 1195 CG LYS A 72 -3.160 -5.352 4.333 1.00 0.17 C ATOM 1196 CD LYS A 72 -3.470 -6.006 5.671 1.00 0.17 C ATOM 1197 CE LYS A 72 -3.159 -5.078 6.832 1.00 0.24 C ATOM 1198 NZ LYS A 72 -3.424 -5.713 8.149 1.00 0.71 N ATOM 0 H LYS A 72 -4.515 -8.042 4.485 1.00 0.13 H new ATOM 0 HA LYS A 72 -5.474 -5.774 3.100 1.00 0.13 H new ATOM 0 HB2 LYS A 72 -2.825 -7.203 3.306 1.00 0.15 H new ATOM 0 HB3 LYS A 72 -3.037 -5.823 2.246 1.00 0.15 H new ATOM 0 HG2 LYS A 72 -2.120 -5.026 4.323 1.00 0.17 H new ATOM 0 HG3 LYS A 72 -3.775 -4.459 4.216 1.00 0.17 H new ATOM 0 HD2 LYS A 72 -4.522 -6.290 5.703 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -2.889 -6.923 5.772 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -2.113 -4.775 6.781 1.00 0.24 H new ATOM 0 HE3 LYS A 72 -3.759 -4.172 6.741 1.00 0.24 H new ATOM 0 HZ1 LYS A 72 -3.197 -5.042 8.910 1.00 0.71 H new ATOM 0 HZ2 LYS A 72 -4.427 -5.980 8.210 1.00 0.71 H new ATOM 0 HZ3 LYS A 72 -2.833 -6.563 8.250 1.00 0.71 H new ATOM 1212 N ARG A 73 -4.930 -8.482 1.315 1.00 0.13 N ATOM 1213 CA ARG A 73 -5.288 -9.077 0.028 1.00 0.15 C ATOM 1214 C ARG A 73 -6.780 -8.919 -0.217 1.00 0.16 C ATOM 1215 O ARG A 73 -7.224 -8.698 -1.343 1.00 0.19 O ATOM 1216 CB ARG A 73 -4.931 -10.563 -0.022 1.00 0.18 C ATOM 1217 CG ARG A 73 -3.449 -10.864 -0.151 1.00 0.38 C ATOM 1218 CD ARG A 73 -2.844 -10.239 -1.396 1.00 0.47 C ATOM 1219 NE ARG A 73 -3.565 -10.618 -2.610 1.00 0.49 N ATOM 1220 CZ ARG A 73 -3.020 -10.659 -3.824 1.00 0.88 C ATOM 1221 NH1 ARG A 73 -1.744 -10.341 -3.999 1.00 1.45 N ATOM 1222 NH2 ARG A 73 -3.757 -11.024 -4.863 1.00 0.97 N ATOM 0 H ARG A 73 -4.536 -9.133 1.994 1.00 0.13 H new ATOM 0 HA ARG A 73 -4.721 -8.558 -0.745 1.00 0.15 H new ATOM 0 HB2 ARG A 73 -5.306 -11.042 0.883 1.00 0.18 H new ATOM 0 HB3 ARG A 73 -5.453 -11.018 -0.863 1.00 0.18 H new ATOM 0 HG2 ARG A 73 -2.926 -10.493 0.731 1.00 0.38 H new ATOM 0 HG3 ARG A 73 -3.300 -11.943 -0.179 1.00 0.38 H new ATOM 0 HD2 ARG A 73 -2.850 -9.154 -1.295 1.00 0.47 H new ATOM 0 HD3 ARG A 73 -1.801 -10.545 -1.484 1.00 0.47 H new ATOM 0 HE ARG A 73 -4.550 -10.867 -2.521 1.00 0.49 H new ATOM 0 HH11 ARG A 73 -1.174 -10.063 -3.200 1.00 1.45 H new ATOM 0 HH12 ARG A 73 -1.333 -10.375 -4.932 1.00 1.45 H new ATOM 0 HH21 ARG A 73 -4.738 -11.272 -4.731 1.00 0.97 H new ATOM 0 HH22 ARG A 73 -3.344 -11.057 -5.795 1.00 0.97 H new ATOM 1236 N ASN A 74 -7.541 -9.025 0.860 1.00 0.16 N ATOM 1237 CA ASN A 74 -8.984 -8.902 0.800 1.00 0.18 C ATOM 1238 C ASN A 74 -9.399 -7.476 0.481 1.00 0.17 C ATOM 1239 O ASN A 74 -10.368 -7.251 -0.244 1.00 0.23 O ATOM 1240 CB ASN A 74 -9.599 -9.371 2.120 1.00 0.21 C ATOM 1241 CG ASN A 74 -10.244 -10.740 2.011 1.00 0.31 C ATOM 1242 OD1 ASN A 74 -10.739 -11.131 0.952 1.00 0.57 O ATOM 1243 ND2 ASN A 74 -10.248 -11.474 3.109 1.00 0.43 N ATOM 0 H ASN A 74 -7.175 -9.198 1.796 1.00 0.16 H new ATOM 0 HA ASN A 74 -9.355 -9.536 -0.005 1.00 0.18 H new ATOM 0 HB2 ASN A 74 -8.825 -9.398 2.887 1.00 0.21 H new ATOM 0 HB3 ASN A 74 -10.346 -8.647 2.446 1.00 0.21 H new ATOM 0 HD21 ASN A 74 -10.672 -12.402 3.101 1.00 0.43 H new ATOM 0 HD22 ASN A 74 -9.827 -11.113 3.965 1.00 0.43 H new ATOM 1250 N ILE A 75 -8.667 -6.510 1.011 1.00 0.13 N ATOM 1251 CA ILE A 75 -8.918 -5.119 0.669 1.00 0.13 C ATOM 1252 C ILE A 75 -8.401 -4.833 -0.727 1.00 0.14 C ATOM 1253 O ILE A 75 -9.053 -4.140 -1.487 1.00 0.15 O ATOM 1254 CB ILE A 75 -8.297 -4.116 1.681 1.00 0.14 C ATOM 1255 CG1 ILE A 75 -9.173 -4.000 2.933 1.00 0.18 C ATOM 1256 CG2 ILE A 75 -8.109 -2.733 1.044 1.00 0.17 C ATOM 1257 CD1 ILE A 75 -9.302 -5.284 3.721 1.00 0.20 C ATOM 0 H ILE A 75 -7.904 -6.659 1.671 1.00 0.13 H new ATOM 0 HA ILE A 75 -9.998 -4.974 0.710 1.00 0.13 H new ATOM 0 HB ILE A 75 -7.318 -4.499 1.969 1.00 0.14 H new ATOM 0 HG12 ILE A 75 -8.759 -3.229 3.582 1.00 0.18 H new ATOM 0 HG13 ILE A 75 -10.168 -3.667 2.637 1.00 0.18 H new ATOM 0 HG21 ILE A 75 -7.673 -2.052 1.775 1.00 0.17 H new ATOM 0 HG22 ILE A 75 -7.445 -2.816 0.184 1.00 0.17 H new ATOM 0 HG23 ILE A 75 -9.076 -2.347 0.720 1.00 0.17 H new ATOM 0 HD11 ILE A 75 -9.938 -5.115 4.590 1.00 0.20 H new ATOM 0 HD12 ILE A 75 -9.746 -6.055 3.091 1.00 0.20 H new ATOM 0 HD13 ILE A 75 -8.315 -5.609 4.051 1.00 0.20 H new ATOM 1269 N TYR A 76 -7.249 -5.407 -1.060 1.00 0.15 N ATOM 1270 CA TYR A 76 -6.621 -5.217 -2.366 1.00 0.18 C ATOM 1271 C TYR A 76 -7.619 -5.387 -3.509 1.00 0.19 C ATOM 1272 O TYR A 76 -7.697 -4.546 -4.402 1.00 0.26 O ATOM 1273 CB TYR A 76 -5.448 -6.197 -2.533 1.00 0.21 C ATOM 1274 CG TYR A 76 -5.197 -6.617 -3.967 1.00 0.22 C ATOM 1275 CD1 TYR A 76 -4.727 -5.703 -4.901 1.00 0.36 C ATOM 1276 CD2 TYR A 76 -5.408 -7.924 -4.381 1.00 0.28 C ATOM 1277 CE1 TYR A 76 -4.479 -6.080 -6.206 1.00 0.44 C ATOM 1278 CE2 TYR A 76 -5.156 -8.307 -5.683 1.00 0.36 C ATOM 1279 CZ TYR A 76 -4.779 -7.394 -6.602 1.00 0.41 C ATOM 1280 OH TYR A 76 -4.437 -7.765 -7.888 1.00 0.52 O ATOM 0 H TYR A 76 -6.724 -6.017 -0.433 1.00 0.15 H new ATOM 0 HA TYR A 76 -6.248 -4.194 -2.408 1.00 0.18 H new ATOM 0 HB2 TYR A 76 -4.543 -5.736 -2.136 1.00 0.21 H new ATOM 0 HB3 TYR A 76 -5.642 -7.086 -1.933 1.00 0.21 H new ATOM 0 HD1 TYR A 76 -4.553 -4.680 -4.602 1.00 0.36 H new ATOM 0 HD2 TYR A 76 -5.775 -8.653 -3.674 1.00 0.28 H new ATOM 0 HE1 TYR A 76 -4.061 -5.376 -6.911 1.00 0.44 H new ATOM 0 HE2 TYR A 76 -5.261 -9.343 -5.968 1.00 0.36 H new ATOM 0 HH TYR A 76 -4.696 -8.698 -8.039 1.00 0.52 H new ATOM 1290 N ASP A 77 -8.389 -6.465 -3.473 1.00 0.18 N ATOM 1291 CA ASP A 77 -9.329 -6.759 -4.552 1.00 0.22 C ATOM 1292 C ASP A 77 -10.515 -5.797 -4.556 1.00 0.22 C ATOM 1293 O ASP A 77 -11.358 -5.848 -5.450 1.00 0.30 O ATOM 1294 CB ASP A 77 -9.831 -8.201 -4.473 1.00 0.31 C ATOM 1295 CG ASP A 77 -8.791 -9.211 -4.914 1.00 1.00 C ATOM 1296 OD1 ASP A 77 -8.509 -9.293 -6.131 1.00 1.21 O ATOM 1297 OD2 ASP A 77 -8.258 -9.939 -4.054 1.00 1.74 O ATOM 0 H ASP A 77 -8.384 -7.148 -2.715 1.00 0.18 H new ATOM 0 HA ASP A 77 -8.782 -6.626 -5.485 1.00 0.22 H new ATOM 0 HB2 ASP A 77 -10.132 -8.420 -3.449 1.00 0.31 H new ATOM 0 HB3 ASP A 77 -10.719 -8.306 -5.096 1.00 0.31 H new ATOM 1302 N LYS A 78 -10.594 -4.940 -3.549 1.00 0.20 N ATOM 1303 CA LYS A 78 -11.632 -3.921 -3.490 1.00 0.21 C ATOM 1304 C LYS A 78 -11.017 -2.537 -3.665 1.00 0.20 C ATOM 1305 O LYS A 78 -11.319 -1.814 -4.615 1.00 0.24 O ATOM 1306 CB LYS A 78 -12.362 -4.000 -2.150 1.00 0.22 C ATOM 1307 CG LYS A 78 -13.061 -5.327 -1.914 1.00 0.29 C ATOM 1308 CD LYS A 78 -13.717 -5.378 -0.545 1.00 0.33 C ATOM 1309 CE LYS A 78 -14.761 -4.282 -0.376 1.00 1.31 C ATOM 1310 NZ LYS A 78 -15.825 -4.356 -1.413 1.00 1.92 N ATOM 0 H LYS A 78 -9.949 -4.930 -2.759 1.00 0.20 H new ATOM 0 HA LYS A 78 -12.345 -4.095 -4.296 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -11.647 -3.828 -1.346 1.00 0.22 H new ATOM 0 HB3 LYS A 78 -13.098 -3.198 -2.099 1.00 0.22 H new ATOM 0 HG2 LYS A 78 -13.815 -5.484 -2.685 1.00 0.29 H new ATOM 0 HG3 LYS A 78 -12.340 -6.140 -2.003 1.00 0.29 H new ATOM 0 HD2 LYS A 78 -14.186 -6.352 -0.403 1.00 0.33 H new ATOM 0 HD3 LYS A 78 -12.955 -5.276 0.227 1.00 0.33 H new ATOM 0 HE2 LYS A 78 -15.213 -4.362 0.613 1.00 1.31 H new ATOM 0 HE3 LYS A 78 -14.274 -3.308 -0.426 1.00 1.31 H new ATOM 0 HZ1 LYS A 78 -16.598 -3.706 -1.164 1.00 1.92 H new ATOM 0 HZ2 LYS A 78 -15.429 -4.086 -2.336 1.00 1.92 H new ATOM 0 HZ3 LYS A 78 -16.193 -5.327 -1.464 1.00 1.92 H new ATOM 1324 N TYR A 79 -10.135 -2.198 -2.743 1.00 0.18 N ATOM 1325 CA TYR A 79 -9.428 -0.935 -2.748 1.00 0.19 C ATOM 1326 C TYR A 79 -7.961 -1.184 -3.060 1.00 0.21 C ATOM 1327 O TYR A 79 -7.316 -1.987 -2.389 1.00 0.30 O ATOM 1328 CB TYR A 79 -9.534 -0.250 -1.383 1.00 0.23 C ATOM 1329 CG TYR A 79 -10.946 0.038 -0.915 1.00 0.34 C ATOM 1330 CD1 TYR A 79 -11.696 -0.933 -0.262 1.00 0.50 C ATOM 1331 CD2 TYR A 79 -11.535 1.274 -1.148 1.00 0.60 C ATOM 1332 CE1 TYR A 79 -12.993 -0.678 0.147 1.00 0.65 C ATOM 1333 CE2 TYR A 79 -12.828 1.537 -0.738 1.00 0.75 C ATOM 1334 CZ TYR A 79 -13.524 0.574 -0.017 1.00 0.72 C ATOM 1335 OH TYR A 79 -14.844 0.819 0.309 1.00 0.88 O ATOM 0 H TYR A 79 -9.888 -2.802 -1.959 1.00 0.18 H new ATOM 0 HA TYR A 79 -9.874 -0.289 -3.504 1.00 0.19 H new ATOM 0 HB2 TYR A 79 -9.043 -0.878 -0.640 1.00 0.23 H new ATOM 0 HB3 TYR A 79 -8.982 0.689 -1.422 1.00 0.23 H new ATOM 0 HD1 TYR A 79 -11.259 -1.902 -0.071 1.00 0.50 H new ATOM 0 HD2 TYR A 79 -10.973 2.042 -1.658 1.00 0.60 H new ATOM 0 HE1 TYR A 79 -13.585 -1.463 0.594 1.00 0.65 H new ATOM 0 HE2 TYR A 79 -13.293 2.482 -0.976 1.00 0.75 H new ATOM 0 HH TYR A 79 -15.056 1.759 0.132 1.00 0.88 H new ATOM 1345 N GLY A 80 -7.439 -0.523 -4.083 1.00 0.20 N ATOM 1346 CA GLY A 80 -6.022 -0.615 -4.370 1.00 0.25 C ATOM 1347 C GLY A 80 -5.179 0.102 -3.333 1.00 0.20 C ATOM 1348 O GLY A 80 -5.424 -0.007 -2.131 1.00 0.22 O ATOM 0 H GLY A 80 -7.969 0.074 -4.718 1.00 0.20 H new ATOM 0 HA2 GLY A 80 -5.729 -1.664 -4.412 1.00 0.25 H new ATOM 0 HA3 GLY A 80 -5.824 -0.190 -5.354 1.00 0.25 H new ATOM 1352 N SER A 81 -4.205 0.861 -3.806 1.00 0.23 N ATOM 1353 CA SER A 81 -3.259 1.552 -2.938 1.00 0.25 C ATOM 1354 C SER A 81 -3.949 2.359 -1.834 1.00 0.23 C ATOM 1355 O SER A 81 -3.474 2.387 -0.720 1.00 0.25 O ATOM 1356 CB SER A 81 -2.375 2.470 -3.784 1.00 0.34 C ATOM 1357 OG SER A 81 -1.723 1.741 -4.811 1.00 0.41 O ATOM 0 H SER A 81 -4.046 1.017 -4.801 1.00 0.23 H new ATOM 0 HA SER A 81 -2.654 0.794 -2.441 1.00 0.25 H new ATOM 0 HB2 SER A 81 -2.982 3.261 -4.224 1.00 0.34 H new ATOM 0 HB3 SER A 81 -1.633 2.953 -3.149 1.00 0.34 H new ATOM 0 HG SER A 81 -1.763 2.248 -5.648 1.00 0.41 H new ATOM 1363 N LEU A 82 -5.055 3.031 -2.138 1.00 0.23 N ATOM 1364 CA LEU A 82 -5.726 3.852 -1.128 1.00 0.25 C ATOM 1365 C LEU A 82 -6.212 3.031 0.053 1.00 0.22 C ATOM 1366 O LEU A 82 -5.750 3.237 1.172 1.00 0.23 O ATOM 1367 CB LEU A 82 -6.887 4.643 -1.720 1.00 0.29 C ATOM 1368 CG LEU A 82 -7.662 5.474 -0.694 1.00 0.42 C ATOM 1369 CD1 LEU A 82 -6.720 6.378 0.084 1.00 0.62 C ATOM 1370 CD2 LEU A 82 -8.738 6.297 -1.372 1.00 0.69 C ATOM 0 H LEU A 82 -5.501 3.027 -3.055 1.00 0.23 H new ATOM 0 HA LEU A 82 -4.975 4.554 -0.766 1.00 0.25 H new ATOM 0 HB2 LEU A 82 -6.503 5.307 -2.495 1.00 0.29 H new ATOM 0 HB3 LEU A 82 -7.575 3.951 -2.206 1.00 0.29 H new ATOM 0 HG LEU A 82 -8.141 4.788 0.004 1.00 0.42 H new ATOM 0 HD11 LEU A 82 -7.290 6.960 0.808 1.00 0.62 H new ATOM 0 HD12 LEU A 82 -5.982 5.770 0.607 1.00 0.62 H new ATOM 0 HD13 LEU A 82 -6.212 7.053 -0.605 1.00 0.62 H new ATOM 0 HD21 LEU A 82 -9.276 6.879 -0.624 1.00 0.69 H new ATOM 0 HD22 LEU A 82 -8.279 6.971 -2.095 1.00 0.69 H new ATOM 0 HD23 LEU A 82 -9.434 5.634 -1.885 1.00 0.69 H new ATOM 1382 N GLY A 83 -7.144 2.115 -0.188 1.00 0.23 N ATOM 1383 CA GLY A 83 -7.676 1.317 0.888 1.00 0.23 C ATOM 1384 C GLY A 83 -6.587 0.607 1.650 1.00 0.21 C ATOM 1385 O GLY A 83 -6.651 0.499 2.863 1.00 0.23 O ATOM 0 H GLY A 83 -7.536 1.915 -1.108 1.00 0.23 H new ATOM 0 HA2 GLY A 83 -8.240 1.955 1.569 1.00 0.23 H new ATOM 0 HA3 GLY A 83 -8.375 0.584 0.486 1.00 0.23 H new ATOM 1389 N LEU A 84 -5.567 0.162 0.936 1.00 0.20 N ATOM 1390 CA LEU A 84 -4.454 -0.538 1.549 1.00 0.20 C ATOM 1391 C LEU A 84 -3.530 0.417 2.303 1.00 0.21 C ATOM 1392 O LEU A 84 -3.066 0.094 3.383 1.00 0.23 O ATOM 1393 CB LEU A 84 -3.686 -1.303 0.483 1.00 0.20 C ATOM 1394 CG LEU A 84 -4.467 -2.435 -0.175 1.00 0.25 C ATOM 1395 CD1 LEU A 84 -3.674 -3.038 -1.323 1.00 0.24 C ATOM 1396 CD2 LEU A 84 -4.802 -3.490 0.861 1.00 0.30 C ATOM 0 H LEU A 84 -5.488 0.275 -0.075 1.00 0.20 H new ATOM 0 HA LEU A 84 -4.852 -1.240 2.281 1.00 0.20 H new ATOM 0 HB2 LEU A 84 -3.368 -0.603 -0.289 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -2.782 -1.716 0.931 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.394 -2.036 -0.585 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -4.249 -3.844 -1.779 1.00 0.24 H new ATOM 0 HD12 LEU A 84 -3.472 -2.269 -2.069 1.00 0.24 H new ATOM 0 HD13 LEU A 84 -2.731 -3.434 -0.946 1.00 0.24 H new ATOM 0 HD21 LEU A 84 -5.360 -4.299 0.389 1.00 0.30 H new ATOM 0 HD22 LEU A 84 -3.881 -3.886 1.288 1.00 0.30 H new ATOM 0 HD23 LEU A 84 -5.406 -3.045 1.651 1.00 0.30 H new ATOM 1408 N TYR A 85 -3.283 1.595 1.745 1.00 0.21 N ATOM 1409 CA TYR A 85 -2.449 2.607 2.397 1.00 0.23 C ATOM 1410 C TYR A 85 -2.925 2.857 3.820 1.00 0.24 C ATOM 1411 O TYR A 85 -2.125 2.998 4.744 1.00 0.26 O ATOM 1412 CB TYR A 85 -2.466 3.907 1.567 1.00 0.25 C ATOM 1413 CG TYR A 85 -2.741 5.179 2.347 1.00 0.29 C ATOM 1414 CD1 TYR A 85 -1.699 5.896 2.926 1.00 0.38 C ATOM 1415 CD2 TYR A 85 -4.036 5.649 2.518 1.00 0.28 C ATOM 1416 CE1 TYR A 85 -1.942 7.048 3.649 1.00 0.45 C ATOM 1417 CE2 TYR A 85 -4.286 6.798 3.242 1.00 0.37 C ATOM 1418 CZ TYR A 85 -3.255 7.526 3.746 1.00 0.44 C ATOM 1419 OH TYR A 85 -3.484 8.638 4.530 1.00 0.52 O ATOM 0 H TYR A 85 -3.649 1.878 0.836 1.00 0.21 H new ATOM 0 HA TYR A 85 -1.423 2.244 2.452 1.00 0.23 H new ATOM 0 HB2 TYR A 85 -1.503 4.010 1.066 1.00 0.25 H new ATOM 0 HB3 TYR A 85 -3.222 3.809 0.788 1.00 0.25 H new ATOM 0 HD1 TYR A 85 -0.684 5.547 2.808 1.00 0.38 H new ATOM 0 HD2 TYR A 85 -4.861 5.108 2.078 1.00 0.28 H new ATOM 0 HE1 TYR A 85 -1.131 7.572 4.132 1.00 0.45 H new ATOM 0 HE2 TYR A 85 -5.304 7.119 3.408 1.00 0.37 H new ATOM 0 HH TYR A 85 -4.438 8.863 4.508 1.00 0.52 H new ATOM 1429 N VAL A 86 -4.229 2.901 3.989 1.00 0.23 N ATOM 1430 CA VAL A 86 -4.811 3.120 5.296 1.00 0.25 C ATOM 1431 C VAL A 86 -5.072 1.796 6.041 1.00 0.24 C ATOM 1432 O VAL A 86 -4.916 1.721 7.262 1.00 0.27 O ATOM 1433 CB VAL A 86 -6.106 3.964 5.170 1.00 0.28 C ATOM 1434 CG1 VAL A 86 -6.939 3.508 3.984 1.00 0.26 C ATOM 1435 CG2 VAL A 86 -6.934 3.913 6.439 1.00 0.32 C ATOM 0 H VAL A 86 -4.908 2.788 3.236 1.00 0.23 H new ATOM 0 HA VAL A 86 -4.091 3.677 5.895 1.00 0.25 H new ATOM 0 HB VAL A 86 -5.801 4.998 5.008 1.00 0.28 H new ATOM 0 HG11 VAL A 86 -7.841 4.116 3.918 1.00 0.26 H new ATOM 0 HG12 VAL A 86 -6.359 3.619 3.068 1.00 0.26 H new ATOM 0 HG13 VAL A 86 -7.215 2.462 4.114 1.00 0.26 H new ATOM 0 HG21 VAL A 86 -7.833 4.516 6.311 1.00 0.32 H new ATOM 0 HG22 VAL A 86 -7.216 2.881 6.648 1.00 0.32 H new ATOM 0 HG23 VAL A 86 -6.349 4.305 7.271 1.00 0.32 H new ATOM 1445 N ALA A 87 -5.429 0.742 5.314 1.00 0.23 N ATOM 1446 CA ALA A 87 -5.782 -0.533 5.943 1.00 0.24 C ATOM 1447 C ALA A 87 -4.560 -1.358 6.318 1.00 0.22 C ATOM 1448 O ALA A 87 -4.573 -2.080 7.312 1.00 0.24 O ATOM 1449 CB ALA A 87 -6.685 -1.351 5.041 1.00 0.25 C ATOM 0 H ALA A 87 -5.482 0.741 4.295 1.00 0.23 H new ATOM 0 HA ALA A 87 -6.312 -0.283 6.862 1.00 0.24 H new ATOM 0 HB1 ALA A 87 -6.932 -2.293 5.531 1.00 0.25 H new ATOM 0 HB2 ALA A 87 -7.601 -0.794 4.841 1.00 0.25 H new ATOM 0 HB3 ALA A 87 -6.172 -1.555 4.101 1.00 0.25 H new ATOM 1455 N GLU A 88 -3.510 -1.265 5.525 1.00 0.20 N ATOM 1456 CA GLU A 88 -2.314 -2.042 5.774 1.00 0.21 C ATOM 1457 C GLU A 88 -1.507 -1.381 6.883 1.00 0.20 C ATOM 1458 O GLU A 88 -0.890 -2.054 7.706 1.00 0.25 O ATOM 1459 CB GLU A 88 -1.505 -2.206 4.468 1.00 0.21 C ATOM 1460 CG GLU A 88 -0.311 -1.272 4.312 1.00 0.25 C ATOM 1461 CD GLU A 88 0.968 -1.875 4.861 1.00 0.86 C ATOM 1462 OE1 GLU A 88 1.607 -2.694 4.167 1.00 1.28 O ATOM 1463 OE2 GLU A 88 1.351 -1.521 5.986 1.00 1.24 O ATOM 0 H GLU A 88 -3.462 -0.660 4.705 1.00 0.20 H new ATOM 0 HA GLU A 88 -2.578 -3.045 6.109 1.00 0.21 H new ATOM 0 HB2 GLU A 88 -1.149 -3.235 4.409 1.00 0.21 H new ATOM 0 HB3 GLU A 88 -2.177 -2.052 3.624 1.00 0.21 H new ATOM 0 HG2 GLU A 88 -0.174 -1.034 3.257 1.00 0.25 H new ATOM 0 HG3 GLU A 88 -0.517 -0.333 4.826 1.00 0.25 H new ATOM 1470 N GLN A 89 -1.565 -0.059 6.924 1.00 0.22 N ATOM 1471 CA GLN A 89 -0.831 0.709 7.913 1.00 0.24 C ATOM 1472 C GLN A 89 -1.583 0.786 9.240 1.00 0.29 C ATOM 1473 O GLN A 89 -0.985 0.629 10.304 1.00 0.36 O ATOM 1474 CB GLN A 89 -0.553 2.111 7.380 1.00 0.25 C ATOM 1475 CG GLN A 89 0.488 2.139 6.273 1.00 0.27 C ATOM 1476 CD GLN A 89 1.881 1.810 6.782 1.00 0.32 C ATOM 1477 OE1 GLN A 89 2.220 2.102 7.929 1.00 0.35 O ATOM 1478 NE2 GLN A 89 2.696 1.186 5.943 1.00 0.38 N ATOM 0 H GLN A 89 -2.117 0.506 6.279 1.00 0.22 H new ATOM 0 HA GLN A 89 0.114 0.199 8.100 1.00 0.24 H new ATOM 0 HB2 GLN A 89 -1.482 2.541 7.006 1.00 0.25 H new ATOM 0 HB3 GLN A 89 -0.217 2.744 8.201 1.00 0.25 H new ATOM 0 HG2 GLN A 89 0.209 1.426 5.497 1.00 0.27 H new ATOM 0 HG3 GLN A 89 0.496 3.126 5.810 1.00 0.27 H new ATOM 0 HE21 GLN A 89 2.381 0.960 5.000 1.00 0.38 H new ATOM 0 HE22 GLN A 89 3.638 0.932 6.241 1.00 0.38 H new ATOM 1487 N PHE A 90 -2.892 1.010 9.183 1.00 0.29 N ATOM 1488 CA PHE A 90 -3.672 1.190 10.407 1.00 0.34 C ATOM 1489 C PHE A 90 -4.805 0.173 10.522 1.00 0.37 C ATOM 1490 O PHE A 90 -5.055 -0.364 11.600 1.00 0.43 O ATOM 1491 CB PHE A 90 -4.256 2.603 10.469 1.00 0.37 C ATOM 1492 CG PHE A 90 -3.222 3.693 10.462 1.00 0.42 C ATOM 1493 CD1 PHE A 90 -2.605 4.088 11.637 1.00 0.55 C ATOM 1494 CD2 PHE A 90 -2.872 4.324 9.279 1.00 0.43 C ATOM 1495 CE1 PHE A 90 -1.656 5.093 11.632 1.00 0.64 C ATOM 1496 CE2 PHE A 90 -1.923 5.328 9.268 1.00 0.53 C ATOM 1497 CZ PHE A 90 -1.316 5.714 10.447 1.00 0.62 C ATOM 0 H PHE A 90 -3.430 1.071 8.319 1.00 0.29 H new ATOM 0 HA PHE A 90 -2.989 1.035 11.242 1.00 0.34 H new ATOM 0 HB2 PHE A 90 -4.925 2.746 9.621 1.00 0.37 H new ATOM 0 HB3 PHE A 90 -4.861 2.696 11.371 1.00 0.37 H new ATOM 0 HD1 PHE A 90 -2.868 3.606 12.567 1.00 0.55 H new ATOM 0 HD2 PHE A 90 -3.346 4.028 8.355 1.00 0.43 H new ATOM 0 HE1 PHE A 90 -1.181 5.392 12.555 1.00 0.64 H new ATOM 0 HE2 PHE A 90 -1.656 5.810 8.339 1.00 0.53 H new ATOM 0 HZ PHE A 90 -0.576 6.501 10.442 1.00 0.62 H new ATOM 1507 N GLY A 91 -5.492 -0.089 9.422 1.00 0.36 N ATOM 1508 CA GLY A 91 -6.584 -1.036 9.456 1.00 0.41 C ATOM 1509 C GLY A 91 -7.867 -0.423 8.978 1.00 0.43 C ATOM 1510 O GLY A 91 -8.244 0.676 9.385 1.00 0.51 O ATOM 0 H GLY A 91 -5.314 0.335 8.511 1.00 0.36 H new ATOM 0 HA2 GLY A 91 -6.338 -1.897 8.834 1.00 0.41 H new ATOM 0 HA3 GLY A 91 -6.714 -1.405 10.473 1.00 0.41 H new ATOM 1514 N GLU A 92 -8.552 -1.149 8.129 1.00 0.43 N ATOM 1515 CA GLU A 92 -9.706 -0.619 7.444 1.00 0.47 C ATOM 1516 C GLU A 92 -10.944 -0.648 8.324 1.00 0.54 C ATOM 1517 O GLU A 92 -11.931 0.037 8.058 1.00 0.63 O ATOM 1518 CB GLU A 92 -9.918 -1.348 6.130 1.00 0.50 C ATOM 1519 CG GLU A 92 -9.587 -2.818 6.187 1.00 0.92 C ATOM 1520 CD GLU A 92 -10.503 -3.615 7.090 1.00 1.83 C ATOM 1521 OE1 GLU A 92 -11.620 -3.954 6.657 1.00 2.23 O ATOM 1522 OE2 GLU A 92 -10.108 -3.899 8.240 1.00 2.69 O ATOM 0 H GLU A 92 -8.328 -2.116 7.894 1.00 0.43 H new ATOM 0 HA GLU A 92 -9.519 0.430 7.216 1.00 0.47 H new ATOM 0 HB2 GLU A 92 -10.958 -1.231 5.825 1.00 0.50 H new ATOM 0 HB3 GLU A 92 -9.305 -0.877 5.361 1.00 0.50 H new ATOM 0 HG2 GLU A 92 -9.636 -3.231 5.180 1.00 0.92 H new ATOM 0 HG3 GLU A 92 -8.560 -2.937 6.531 1.00 0.92 H new ATOM 1529 N GLU A 93 -10.868 -1.429 9.382 1.00 0.57 N ATOM 1530 CA GLU A 93 -11.951 -1.533 10.339 1.00 0.66 C ATOM 1531 C GLU A 93 -12.072 -0.270 11.184 1.00 0.68 C ATOM 1532 O GLU A 93 -13.170 0.120 11.572 1.00 0.79 O ATOM 1533 CB GLU A 93 -11.726 -2.747 11.241 1.00 0.70 C ATOM 1534 CG GLU A 93 -10.383 -2.730 11.961 1.00 0.68 C ATOM 1535 CD GLU A 93 -10.164 -3.963 12.808 1.00 1.00 C ATOM 1536 OE1 GLU A 93 -9.686 -4.984 12.269 1.00 1.19 O ATOM 1537 OE2 GLU A 93 -10.466 -3.918 14.016 1.00 1.33 O ATOM 0 H GLU A 93 -10.057 -2.007 9.602 1.00 0.57 H new ATOM 0 HA GLU A 93 -12.883 -1.655 9.786 1.00 0.66 H new ATOM 0 HB2 GLU A 93 -12.525 -2.793 11.981 1.00 0.70 H new ATOM 0 HB3 GLU A 93 -11.796 -3.654 10.640 1.00 0.70 H new ATOM 0 HG2 GLU A 93 -9.582 -2.651 11.226 1.00 0.68 H new ATOM 0 HG3 GLU A 93 -10.325 -1.844 12.593 1.00 0.68 H new ATOM 1544 N ASN A 94 -10.946 0.378 11.461 1.00 0.61 N ATOM 1545 CA ASN A 94 -10.951 1.496 12.393 1.00 0.64 C ATOM 1546 C ASN A 94 -10.921 2.853 11.693 1.00 0.65 C ATOM 1547 O ASN A 94 -11.835 3.654 11.861 1.00 0.81 O ATOM 1548 CB ASN A 94 -9.815 1.364 13.429 1.00 0.63 C ATOM 1549 CG ASN A 94 -8.418 1.425 12.832 1.00 0.78 C ATOM 1550 OD1 ASN A 94 -7.818 2.492 12.740 1.00 1.65 O ATOM 1551 ND2 ASN A 94 -7.882 0.282 12.445 1.00 0.70 N ATOM 0 H ASN A 94 -10.035 0.153 11.061 1.00 0.61 H new ATOM 0 HA ASN A 94 -11.900 1.452 12.927 1.00 0.64 H new ATOM 0 HB2 ASN A 94 -9.918 2.159 14.168 1.00 0.63 H new ATOM 0 HB3 ASN A 94 -9.930 0.419 13.960 1.00 0.63 H new ATOM 0 HD21 ASN A 94 -6.940 0.267 12.055 1.00 0.70 H new ATOM 0 HD22 ASN A 94 -8.410 -0.586 12.536 1.00 0.70 H new ATOM 1558 N VAL A 95 -9.898 3.113 10.904 1.00 0.54 N ATOM 1559 CA VAL A 95 -9.731 4.431 10.299 1.00 0.58 C ATOM 1560 C VAL A 95 -10.412 4.528 8.942 1.00 0.62 C ATOM 1561 O VAL A 95 -11.050 5.531 8.633 1.00 0.76 O ATOM 1562 CB VAL A 95 -8.244 4.796 10.153 1.00 0.57 C ATOM 1563 CG1 VAL A 95 -7.694 5.341 11.460 1.00 0.69 C ATOM 1564 CG2 VAL A 95 -7.457 3.579 9.712 1.00 0.49 C ATOM 0 H VAL A 95 -9.171 2.439 10.664 1.00 0.54 H new ATOM 0 HA VAL A 95 -10.209 5.141 10.974 1.00 0.58 H new ATOM 0 HB VAL A 95 -8.147 5.574 9.396 1.00 0.57 H new ATOM 0 HG11 VAL A 95 -6.641 5.593 11.335 1.00 0.69 H new ATOM 0 HG12 VAL A 95 -8.250 6.235 11.744 1.00 0.69 H new ATOM 0 HG13 VAL A 95 -7.796 4.587 12.240 1.00 0.69 H new ATOM 0 HG21 VAL A 95 -6.405 3.844 9.610 1.00 0.49 H new ATOM 0 HG22 VAL A 95 -7.562 2.789 10.455 1.00 0.49 H new ATOM 0 HG23 VAL A 95 -7.837 3.228 8.753 1.00 0.49 H new ATOM 1574 N ASN A 96 -10.296 3.476 8.143 1.00 0.57 N ATOM 1575 CA ASN A 96 -10.870 3.469 6.798 1.00 0.68 C ATOM 1576 C ASN A 96 -12.383 3.512 6.872 1.00 0.85 C ATOM 1577 O ASN A 96 -13.049 3.959 5.944 1.00 1.03 O ATOM 1578 CB ASN A 96 -10.447 2.209 6.046 1.00 0.69 C ATOM 1579 CG ASN A 96 -10.930 2.166 4.601 1.00 0.97 C ATOM 1580 OD1 ASN A 96 -10.154 2.741 3.692 1.00 1.85 O flip ATOM 1581 ND2 ASN A 96 -11.992 1.616 4.308 1.00 0.66 N flip ATOM 0 H ASN A 96 -9.811 2.616 8.399 1.00 0.57 H new ATOM 0 HA ASN A 96 -10.504 4.349 6.269 1.00 0.68 H new ATOM 0 HB2 ASN A 96 -9.359 2.137 6.058 1.00 0.69 H new ATOM 0 HB3 ASN A 96 -10.830 1.336 6.574 1.00 0.69 H new ATOM 0 HD21 ASN A 96 -12.561 1.185 5.037 1.00 0.66 H new ATOM 0 HD22 ASN A 96 -12.303 1.592 3.337 1.00 0.66 H new ATOM 1588 N THR A 97 -12.924 3.050 7.990 1.00 0.85 N ATOM 1589 CA THR A 97 -14.358 3.018 8.159 1.00 1.05 C ATOM 1590 C THR A 97 -14.888 4.445 8.343 1.00 1.15 C ATOM 1591 O THR A 97 -16.087 4.703 8.223 1.00 1.33 O ATOM 1592 CB THR A 97 -14.759 2.130 9.363 1.00 1.09 C ATOM 1593 OG1 THR A 97 -16.114 1.679 9.228 1.00 1.33 O ATOM 1594 CG2 THR A 97 -14.611 2.878 10.681 1.00 1.08 C ATOM 0 H THR A 97 -12.391 2.696 8.784 1.00 0.85 H new ATOM 0 HA THR A 97 -14.803 2.583 7.264 1.00 1.05 H new ATOM 0 HB THR A 97 -14.086 1.272 9.370 1.00 1.09 H new ATOM 0 HG1 THR A 97 -16.350 1.118 9.996 1.00 1.33 H new ATOM 0 HG21 THR A 97 -14.901 2.225 11.504 1.00 1.08 H new ATOM 0 HG22 THR A 97 -13.573 3.186 10.810 1.00 1.08 H new ATOM 0 HG23 THR A 97 -15.253 3.759 10.673 1.00 1.08 H new ATOM 1602 N TYR A 98 -13.972 5.365 8.627 1.00 1.07 N ATOM 1603 CA TYR A 98 -14.316 6.762 8.837 1.00 1.22 C ATOM 1604 C TYR A 98 -13.798 7.623 7.685 1.00 1.24 C ATOM 1605 O TYR A 98 -14.530 8.444 7.133 1.00 1.41 O ATOM 1606 CB TYR A 98 -13.732 7.250 10.169 1.00 1.27 C ATOM 1607 CG TYR A 98 -14.079 8.684 10.512 1.00 1.63 C ATOM 1608 CD1 TYR A 98 -15.261 8.997 11.172 1.00 1.80 C ATOM 1609 CD2 TYR A 98 -13.225 9.725 10.171 1.00 1.99 C ATOM 1610 CE1 TYR A 98 -15.581 10.304 11.484 1.00 2.16 C ATOM 1611 CE2 TYR A 98 -13.538 11.034 10.480 1.00 2.45 C ATOM 1612 CZ TYR A 98 -14.715 11.314 11.152 1.00 2.47 C ATOM 1613 OH TYR A 98 -15.032 12.622 11.447 1.00 2.92 O ATOM 0 H TYR A 98 -12.976 5.162 8.717 1.00 1.07 H new ATOM 0 HA TYR A 98 -15.402 6.852 8.871 1.00 1.22 H new ATOM 0 HB2 TYR A 98 -14.089 6.601 10.969 1.00 1.27 H new ATOM 0 HB3 TYR A 98 -12.647 7.149 10.136 1.00 1.27 H new ATOM 0 HD1 TYR A 98 -15.942 8.204 11.446 1.00 1.80 H new ATOM 0 HD2 TYR A 98 -12.301 9.507 9.656 1.00 1.99 H new ATOM 0 HE1 TYR A 98 -16.510 10.530 11.987 1.00 2.16 H new ATOM 0 HE2 TYR A 98 -12.869 11.834 10.199 1.00 2.45 H new ATOM 0 HH TYR A 98 -14.309 13.210 11.145 1.00 2.92 H new ATOM 1623 N PHE A 99 -12.536 7.423 7.324 1.00 1.23 N ATOM 1624 CA PHE A 99 -11.894 8.230 6.297 1.00 1.37 C ATOM 1625 C PHE A 99 -12.007 7.588 4.925 1.00 1.73 C ATOM 1626 O PHE A 99 -12.526 6.483 4.773 1.00 2.11 O ATOM 1627 CB PHE A 99 -10.415 8.424 6.609 1.00 1.72 C ATOM 1628 CG PHE A 99 -10.146 9.134 7.905 1.00 2.74 C ATOM 1629 CD1 PHE A 99 -10.246 10.512 7.987 1.00 3.47 C ATOM 1630 CD2 PHE A 99 -9.783 8.422 9.038 1.00 3.29 C ATOM 1631 CE1 PHE A 99 -9.991 11.169 9.174 1.00 4.65 C ATOM 1632 CE2 PHE A 99 -9.528 9.073 10.228 1.00 4.51 C ATOM 1633 CZ PHE A 99 -9.632 10.448 10.297 1.00 5.17 C ATOM 0 H PHE A 99 -11.936 6.705 7.730 1.00 1.23 H new ATOM 0 HA PHE A 99 -12.408 9.191 6.289 1.00 1.37 H new ATOM 0 HB2 PHE A 99 -9.930 7.448 6.635 1.00 1.72 H new ATOM 0 HB3 PHE A 99 -9.955 8.987 5.797 1.00 1.72 H new ATOM 0 HD1 PHE A 99 -10.527 11.080 7.112 1.00 3.47 H new ATOM 0 HD2 PHE A 99 -9.699 7.346 8.989 1.00 3.29 H new ATOM 0 HE1 PHE A 99 -10.072 12.245 9.225 1.00 4.65 H new ATOM 0 HE2 PHE A 99 -9.247 8.507 11.104 1.00 4.51 H new ATOM 0 HZ PHE A 99 -9.433 10.959 11.227 1.00 5.17 H new ATOM 1643 N VAL A 100 -11.498 8.297 3.937 1.00 1.96 N ATOM 1644 CA VAL A 100 -11.458 7.828 2.578 1.00 2.64 C ATOM 1645 C VAL A 100 -10.021 7.869 2.039 1.00 3.27 C ATOM 1646 O VAL A 100 -9.542 8.957 1.640 1.00 3.70 O ATOM 1647 CB VAL A 100 -12.411 8.675 1.718 1.00 2.78 C ATOM 1648 CG1 VAL A 100 -12.136 10.158 1.906 1.00 2.91 C ATOM 1649 CG2 VAL A 100 -12.333 8.274 0.252 1.00 3.58 C ATOM 1650 OXT VAL A 100 -9.363 6.811 2.051 1.00 3.84 O ATOM 0 H VAL A 100 -11.097 9.226 4.064 1.00 1.96 H new ATOM 0 HA VAL A 100 -11.789 6.790 2.538 1.00 2.64 H new ATOM 0 HB VAL A 100 -13.430 8.482 2.053 1.00 2.78 H new ATOM 0 HG11 VAL A 100 -12.822 10.737 1.288 1.00 2.91 H new ATOM 0 HG12 VAL A 100 -12.278 10.425 2.953 1.00 2.91 H new ATOM 0 HG13 VAL A 100 -11.110 10.378 1.612 1.00 2.91 H new ATOM 0 HG21 VAL A 100 -13.018 8.890 -0.331 1.00 3.58 H new ATOM 0 HG22 VAL A 100 -11.316 8.419 -0.111 1.00 3.58 H new ATOM 0 HG23 VAL A 100 -12.610 7.225 0.147 1.00 3.58 H new TER 1660 VAL A 100