USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 756 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -135:sc=-0.00295 (180deg=-0.471) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -26:sc= 0.262 USER MOD Single : A 16 HIS : no HD1:sc= -0.284 K(o=-0.28,f=-2.3) USER MOD Single : A 18 THR OG1 : rot -170:sc= -0.805 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -137:sc= -3.72 (180deg=-8.31!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 34 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.55) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -91:sc= 1.32 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -0.148 K(o=-0.15,f=-2.2) USER MOD Single : A 54 GLN : amide:sc= -0.68 X(o=-0.68,f=-0.25) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -27:sc= 0.202 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 70 GLN : amide:sc= -1.88! C(o=-1.9!,f=-2.8!) USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0683) USER MOD Single : A 73 ASN : amide:sc= -0.641 K(o=-0.64,f=-2!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 136:sc= -0.125 (180deg=-0.619) USER MOD Single : A 76 HIS : no HD1:sc= -0.0211 X(o=-0.021,f=0) USER MOD Single : A 79 ASN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -147:sc= -3.01! (180deg=-5.86!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 144:sc= -1.68 (180deg=-4.14!) USER MOD Single : A 91 LYS NZ :NH3+ 160:sc= -0.103 (180deg=-0.525) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.695 -1.746 14.053 1.00 0.00 N ATOM 2 CA MET A 1 -8.416 -0.289 13.982 1.00 0.00 C ATOM 3 C MET A 1 -8.017 0.119 12.567 1.00 0.00 C ATOM 4 O MET A 1 -7.745 -0.730 11.719 1.00 0.00 O ATOM 5 CB MET A 1 -7.304 0.082 14.965 1.00 0.00 C ATOM 6 CG MET A 1 -7.613 -0.297 16.403 1.00 0.00 C ATOM 7 SD MET A 1 -6.261 0.091 17.531 1.00 0.00 S ATOM 8 CE MET A 1 -6.908 -0.561 19.069 1.00 0.00 C ATOM 0 H1 MET A 1 -9.570 -1.906 14.592 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.806 -2.125 13.091 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.904 -2.228 14.526 1.00 0.00 H new ATOM 0 HA MET A 1 -9.326 0.247 14.252 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.381 -0.410 14.659 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.126 1.156 14.911 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.513 0.226 16.727 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.829 -1.364 16.455 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.184 -0.397 19.867 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.841 -0.054 19.315 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.093 -1.630 18.962 1.00 0.00 H new ATOM 20 N GLU A 2 -7.984 1.425 12.320 1.00 0.00 N ATOM 21 CA GLU A 2 -7.618 1.947 11.008 1.00 0.00 C ATOM 22 C GLU A 2 -6.175 1.593 10.664 1.00 0.00 C ATOM 23 O GLU A 2 -5.824 1.437 9.494 1.00 0.00 O ATOM 24 CB GLU A 2 -7.810 3.463 10.966 1.00 0.00 C ATOM 25 CG GLU A 2 -6.946 4.215 11.967 1.00 0.00 C ATOM 26 CD GLU A 2 -7.245 5.701 11.994 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.190 6.103 12.705 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.535 6.464 11.306 1.00 0.00 O ATOM 0 H GLU A 2 -8.206 2.141 13.011 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.271 1.486 10.267 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.584 3.822 9.962 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.858 3.693 11.158 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.103 3.798 12.962 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.895 4.064 11.720 1.00 0.00 H new ATOM 35 N SER A 3 -5.343 1.469 11.693 1.00 0.00 N ATOM 36 CA SER A 3 -3.936 1.135 11.507 1.00 0.00 C ATOM 37 C SER A 3 -3.778 -0.264 10.914 1.00 0.00 C ATOM 38 O SER A 3 -2.836 -0.527 10.165 1.00 0.00 O ATOM 39 CB SER A 3 -3.191 1.222 12.841 1.00 0.00 C ATOM 40 OG SER A 3 -3.242 2.537 13.369 1.00 0.00 O ATOM 0 H SER A 3 -5.620 1.595 12.667 1.00 0.00 H new ATOM 0 HA SER A 3 -3.508 1.854 10.809 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.631 0.524 13.553 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.152 0.923 12.701 1.00 0.00 H new ATOM 0 HG SER A 3 -2.760 2.566 14.222 1.00 0.00 H new ATOM 46 N GLU A 4 -4.705 -1.154 11.253 1.00 0.00 N ATOM 47 CA GLU A 4 -4.666 -2.526 10.757 1.00 0.00 C ATOM 48 C GLU A 4 -5.059 -2.592 9.285 1.00 0.00 C ATOM 49 O GLU A 4 -4.577 -3.448 8.543 1.00 0.00 O ATOM 50 CB GLU A 4 -5.602 -3.413 11.580 1.00 0.00 C ATOM 51 CG GLU A 4 -5.235 -3.491 13.054 1.00 0.00 C ATOM 52 CD GLU A 4 -3.850 -4.067 13.280 1.00 0.00 C ATOM 53 OE1 GLU A 4 -3.724 -5.308 13.332 1.00 0.00 O ATOM 54 OE2 GLU A 4 -2.892 -3.274 13.404 1.00 0.00 O ATOM 0 H GLU A 4 -5.492 -0.950 11.869 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.643 -2.888 10.857 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.620 -3.035 11.488 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.597 -4.419 11.160 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.285 -2.494 13.491 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.969 -4.105 13.576 1.00 0.00 H new ATOM 61 N TYR A 5 -5.936 -1.685 8.867 1.00 0.00 N ATOM 62 CA TYR A 5 -6.401 -1.650 7.485 1.00 0.00 C ATOM 63 C TYR A 5 -5.352 -1.046 6.556 1.00 0.00 C ATOM 64 O TYR A 5 -5.170 -1.510 5.434 1.00 0.00 O ATOM 65 CB TYR A 5 -7.709 -0.861 7.385 1.00 0.00 C ATOM 66 CG TYR A 5 -8.254 -0.756 5.976 1.00 0.00 C ATOM 67 CD1 TYR A 5 -8.520 -1.895 5.223 1.00 0.00 C ATOM 68 CD2 TYR A 5 -8.505 0.484 5.400 1.00 0.00 C ATOM 69 CE1 TYR A 5 -9.017 -1.800 3.937 1.00 0.00 C ATOM 70 CE2 TYR A 5 -9.003 0.586 4.114 1.00 0.00 C ATOM 71 CZ TYR A 5 -9.258 -0.558 3.388 1.00 0.00 C ATOM 72 OH TYR A 5 -9.753 -0.459 2.108 1.00 0.00 O ATOM 0 H TYR A 5 -6.339 -0.964 9.466 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.577 -2.678 7.168 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -8.458 -1.335 8.020 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.548 0.143 7.778 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.335 -2.869 5.650 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -8.308 1.382 5.966 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.216 -2.694 3.365 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -9.191 1.557 3.680 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.867 0.486 1.874 1.00 0.00 H new ATOM 82 N ARG A 6 -4.663 -0.012 7.028 1.00 0.00 N ATOM 83 CA ARG A 6 -3.637 0.649 6.225 1.00 0.00 C ATOM 84 C ARG A 6 -2.360 -0.184 6.160 1.00 0.00 C ATOM 85 O ARG A 6 -1.671 -0.198 5.141 1.00 0.00 O ATOM 86 CB ARG A 6 -3.325 2.035 6.797 1.00 0.00 C ATOM 87 CG ARG A 6 -2.767 1.999 8.210 1.00 0.00 C ATOM 88 CD ARG A 6 -2.455 3.395 8.723 1.00 0.00 C ATOM 89 NE ARG A 6 -1.841 3.366 10.049 1.00 0.00 N ATOM 90 CZ ARG A 6 -1.445 4.453 10.704 1.00 0.00 C ATOM 91 NH1 ARG A 6 -1.606 5.653 10.162 1.00 0.00 N ATOM 92 NH2 ARG A 6 -0.889 4.341 11.903 1.00 0.00 N ATOM 0 H ARG A 6 -4.795 0.386 7.958 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.026 0.756 5.212 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.609 2.535 6.145 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.235 2.635 6.790 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.486 1.519 8.874 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.861 1.393 8.229 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.786 3.897 8.024 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.373 3.981 8.761 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.709 2.460 10.498 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.034 5.743 9.241 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.301 6.486 10.667 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.765 3.420 12.324 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.586 5.176 12.404 1.00 0.00 H new ATOM 106 N GLU A 7 -2.050 -0.873 7.252 1.00 0.00 N ATOM 107 CA GLU A 7 -0.847 -1.698 7.320 1.00 0.00 C ATOM 108 C GLU A 7 -0.975 -2.956 6.463 1.00 0.00 C ATOM 109 O GLU A 7 -0.112 -3.242 5.635 1.00 0.00 O ATOM 110 CB GLU A 7 -0.555 -2.083 8.772 1.00 0.00 C ATOM 111 CG GLU A 7 0.722 -2.889 8.945 1.00 0.00 C ATOM 112 CD GLU A 7 0.980 -3.272 10.388 1.00 0.00 C ATOM 113 OE1 GLU A 7 1.648 -2.491 11.099 1.00 0.00 O ATOM 114 OE2 GLU A 7 0.516 -4.353 10.809 1.00 0.00 O ATOM 0 H GLU A 7 -2.613 -0.878 8.102 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.019 -1.109 6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.486 -1.176 9.372 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.394 -2.660 9.161 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.661 -3.793 8.339 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.566 -2.310 8.570 1.00 0.00 H new ATOM 121 N MET A 8 -2.053 -3.706 6.671 1.00 0.00 N ATOM 122 CA MET A 8 -2.285 -4.942 5.927 1.00 0.00 C ATOM 123 C MET A 8 -2.466 -4.680 4.433 1.00 0.00 C ATOM 124 O MET A 8 -1.913 -5.397 3.599 1.00 0.00 O ATOM 125 CB MET A 8 -3.516 -5.667 6.477 1.00 0.00 C ATOM 126 CG MET A 8 -3.819 -6.978 5.770 1.00 0.00 C ATOM 127 SD MET A 8 -2.440 -8.139 5.841 1.00 0.00 S ATOM 128 CE MET A 8 -3.112 -9.520 4.918 1.00 0.00 C ATOM 0 H MET A 8 -2.781 -3.480 7.349 1.00 0.00 H new ATOM 0 HA MET A 8 -1.403 -5.570 6.054 1.00 0.00 H new ATOM 0 HB2 MET A 8 -3.367 -5.863 7.539 1.00 0.00 H new ATOM 0 HB3 MET A 8 -4.382 -5.010 6.392 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.698 -7.436 6.223 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.066 -6.776 4.728 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.374 -10.321 4.874 1.00 0.00 H new ATOM 0 HE2 MET A 8 -4.013 -9.883 5.412 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.358 -9.197 3.906 1.00 0.00 H new ATOM 138 N LEU A 9 -3.242 -3.654 4.102 1.00 0.00 N ATOM 139 CA LEU A 9 -3.508 -3.307 2.708 1.00 0.00 C ATOM 140 C LEU A 9 -2.213 -3.023 1.948 1.00 0.00 C ATOM 141 O LEU A 9 -2.119 -3.278 0.747 1.00 0.00 O ATOM 142 CB LEU A 9 -4.450 -2.096 2.641 1.00 0.00 C ATOM 143 CG LEU A 9 -5.038 -1.762 1.261 1.00 0.00 C ATOM 144 CD1 LEU A 9 -4.053 -0.953 0.430 1.00 0.00 C ATOM 145 CD2 LEU A 9 -5.452 -3.028 0.521 1.00 0.00 C ATOM 0 H LEU A 9 -3.700 -3.046 4.781 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.990 -4.160 2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.276 -2.267 3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.908 -1.222 3.002 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.929 -1.155 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.494 -0.730 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.821 -0.021 0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.137 -1.528 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.865 -2.762 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.582 -3.670 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.206 -3.559 1.102 1.00 0.00 H new ATOM 157 N LEU A 10 -1.218 -2.490 2.647 1.00 0.00 N ATOM 158 CA LEU A 10 0.063 -2.165 2.024 1.00 0.00 C ATOM 159 C LEU A 10 0.989 -3.378 1.945 1.00 0.00 C ATOM 160 O LEU A 10 1.375 -3.801 0.856 1.00 0.00 O ATOM 161 CB LEU A 10 0.755 -1.038 2.792 1.00 0.00 C ATOM 162 CG LEU A 10 0.052 0.318 2.728 1.00 0.00 C ATOM 163 CD1 LEU A 10 0.680 1.289 3.716 1.00 0.00 C ATOM 164 CD2 LEU A 10 0.111 0.883 1.315 1.00 0.00 C ATOM 0 H LEU A 10 -1.271 -2.274 3.642 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.148 -1.840 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.845 -1.334 3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.767 -0.924 2.404 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.994 0.177 2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.168 2.249 3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.589 0.890 4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.734 1.424 3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.394 1.848 1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.152 1.010 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.382 0.196 0.628 1.00 0.00 H new ATOM 176 N LEU A 11 1.338 -3.935 3.103 1.00 0.00 N ATOM 177 CA LEU A 11 2.251 -5.077 3.166 1.00 0.00 C ATOM 178 C LEU A 11 1.766 -6.263 2.333 1.00 0.00 C ATOM 179 O LEU A 11 2.575 -7.080 1.892 1.00 0.00 O ATOM 180 CB LEU A 11 2.477 -5.504 4.622 1.00 0.00 C ATOM 181 CG LEU A 11 1.277 -6.144 5.331 1.00 0.00 C ATOM 182 CD1 LEU A 11 1.200 -7.635 5.032 1.00 0.00 C ATOM 183 CD2 LEU A 11 1.368 -5.911 6.831 1.00 0.00 C ATOM 0 H LEU A 11 1.003 -3.615 4.011 1.00 0.00 H new ATOM 0 HA LEU A 11 3.198 -4.750 2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.307 -6.210 4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.786 -4.628 5.193 1.00 0.00 H new ATOM 0 HG LEU A 11 0.368 -5.675 4.955 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.341 -8.065 5.546 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.093 -7.786 3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.111 -8.123 5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.511 -6.370 7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.287 -6.356 7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.372 -4.840 7.033 1.00 0.00 H new ATOM 195 N THR A 12 0.457 -6.366 2.118 1.00 0.00 N ATOM 196 CA THR A 12 -0.091 -7.471 1.335 1.00 0.00 C ATOM 197 C THR A 12 0.415 -7.428 -0.105 1.00 0.00 C ATOM 198 O THR A 12 0.148 -8.332 -0.895 1.00 0.00 O ATOM 199 CB THR A 12 -1.632 -7.465 1.328 1.00 0.00 C ATOM 200 OG1 THR A 12 -2.124 -8.640 0.671 1.00 0.00 O ATOM 201 CG2 THR A 12 -2.168 -6.230 0.625 1.00 0.00 C ATOM 0 H THR A 12 -0.237 -5.707 2.470 1.00 0.00 H new ATOM 0 HA THR A 12 0.251 -8.389 1.814 1.00 0.00 H new ATOM 0 HB THR A 12 -1.975 -7.453 2.363 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.453 -8.964 0.035 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.258 -6.250 0.634 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.817 -5.336 1.141 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.814 -6.216 -0.406 1.00 0.00 H new ATOM 209 N GLY A 13 1.147 -6.367 -0.435 1.00 0.00 N ATOM 210 CA GLY A 13 1.686 -6.222 -1.774 1.00 0.00 C ATOM 211 C GLY A 13 3.202 -6.148 -1.783 1.00 0.00 C ATOM 212 O GLY A 13 3.851 -6.746 -2.638 1.00 0.00 O ATOM 0 H GLY A 13 1.376 -5.605 0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.362 -7.064 -2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.278 -5.320 -2.231 1.00 0.00 H new ATOM 216 N LEU A 14 3.765 -5.414 -0.826 1.00 0.00 N ATOM 217 CA LEU A 14 5.215 -5.263 -0.728 1.00 0.00 C ATOM 218 C LEU A 14 5.898 -6.618 -0.562 1.00 0.00 C ATOM 219 O LEU A 14 6.878 -6.918 -1.244 1.00 0.00 O ATOM 220 CB LEU A 14 5.587 -4.352 0.450 1.00 0.00 C ATOM 221 CG LEU A 14 5.421 -2.844 0.210 1.00 0.00 C ATOM 222 CD1 LEU A 14 6.246 -2.393 -0.987 1.00 0.00 C ATOM 223 CD2 LEU A 14 3.957 -2.487 0.015 1.00 0.00 C ATOM 0 H LEU A 14 3.240 -4.915 -0.108 1.00 0.00 H new ATOM 0 HA LEU A 14 5.562 -4.807 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.977 -4.633 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.625 -4.545 0.720 1.00 0.00 H new ATOM 0 HG LEU A 14 5.786 -2.319 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.113 -1.322 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.299 -2.605 -0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.918 -2.928 -1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.863 -1.414 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.563 -3.025 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.393 -2.765 0.905 1.00 0.00 H new ATOM 235 N ASP A 15 5.376 -7.431 0.352 1.00 0.00 N ATOM 236 CA ASP A 15 5.939 -8.751 0.619 1.00 0.00 C ATOM 237 C ASP A 15 5.462 -9.781 -0.405 1.00 0.00 C ATOM 238 O ASP A 15 5.699 -10.980 -0.249 1.00 0.00 O ATOM 239 CB ASP A 15 5.564 -9.203 2.034 1.00 0.00 C ATOM 240 CG ASP A 15 6.301 -10.458 2.458 1.00 0.00 C ATOM 241 OD1 ASP A 15 7.468 -10.343 2.887 1.00 0.00 O ATOM 242 OD2 ASP A 15 5.711 -11.554 2.362 1.00 0.00 O ATOM 0 H ASP A 15 4.562 -7.198 0.921 1.00 0.00 H new ATOM 0 HA ASP A 15 7.023 -8.677 0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.784 -8.401 2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.490 -9.383 2.082 1.00 0.00 H new ATOM 247 N HIS A 16 4.798 -9.313 -1.459 1.00 0.00 N ATOM 248 CA HIS A 16 4.290 -10.209 -2.494 1.00 0.00 C ATOM 249 C HIS A 16 4.707 -9.750 -3.890 1.00 0.00 C ATOM 250 O HIS A 16 4.063 -10.095 -4.882 1.00 0.00 O ATOM 251 CB HIS A 16 2.766 -10.306 -2.407 1.00 0.00 C ATOM 252 CG HIS A 16 2.282 -11.025 -1.186 1.00 0.00 C ATOM 253 ND1 HIS A 16 1.821 -10.393 -0.053 1.00 0.00 N ATOM 254 CD2 HIS A 16 2.188 -12.356 -0.936 1.00 0.00 C ATOM 255 CE1 HIS A 16 1.472 -11.337 0.831 1.00 0.00 C ATOM 256 NE2 HIS A 16 1.675 -12.546 0.344 1.00 0.00 N ATOM 0 H HIS A 16 4.600 -8.325 -1.618 1.00 0.00 H new ATOM 0 HA HIS A 16 4.725 -11.194 -2.322 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.345 -9.301 -2.418 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.391 -10.818 -3.293 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.467 -13.143 -1.621 1.00 0.00 H new ATOM 0 HE1 HIS A 16 1.076 -11.134 1.815 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.494 -13.436 0.809 1.00 0.00 H new ATOM 264 N ILE A 17 5.791 -8.982 -3.966 1.00 0.00 N ATOM 265 CA ILE A 17 6.286 -8.488 -5.247 1.00 0.00 C ATOM 266 C ILE A 17 7.799 -8.652 -5.358 1.00 0.00 C ATOM 267 O ILE A 17 8.507 -8.675 -4.351 1.00 0.00 O ATOM 268 CB ILE A 17 5.925 -7.006 -5.463 1.00 0.00 C ATOM 269 CG1 ILE A 17 6.428 -6.159 -4.291 1.00 0.00 C ATOM 270 CG2 ILE A 17 4.422 -6.849 -5.640 1.00 0.00 C ATOM 271 CD1 ILE A 17 6.217 -4.671 -4.480 1.00 0.00 C ATOM 0 H ILE A 17 6.341 -8.689 -3.159 1.00 0.00 H new ATOM 0 HA ILE A 17 5.801 -9.087 -6.018 1.00 0.00 H new ATOM 0 HB ILE A 17 6.414 -6.654 -6.371 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.920 -6.476 -3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.491 -6.351 -4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.181 -5.797 -5.792 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.096 -7.424 -6.506 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.911 -7.213 -4.749 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.598 -4.136 -3.610 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.748 -4.339 -5.372 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.153 -4.466 -4.595 1.00 0.00 H new ATOM 283 N THR A 18 8.286 -8.763 -6.591 1.00 0.00 N ATOM 284 CA THR A 18 9.712 -8.924 -6.841 1.00 0.00 C ATOM 285 C THR A 18 10.481 -7.662 -6.465 1.00 0.00 C ATOM 286 O THR A 18 9.890 -6.603 -6.257 1.00 0.00 O ATOM 287 CB THR A 18 9.991 -9.260 -8.317 1.00 0.00 C ATOM 288 OG1 THR A 18 9.447 -8.240 -9.163 1.00 0.00 O ATOM 289 CG2 THR A 18 9.391 -10.607 -8.690 1.00 0.00 C ATOM 0 H THR A 18 7.711 -8.744 -7.433 1.00 0.00 H new ATOM 0 HA THR A 18 10.050 -9.753 -6.219 1.00 0.00 H new ATOM 0 HB THR A 18 11.071 -9.311 -8.456 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.487 -8.534 -10.097 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.602 -10.822 -9.738 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.828 -11.386 -8.065 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.312 -10.580 -8.535 1.00 0.00 H new ATOM 297 N GLU A 19 11.803 -7.783 -6.381 1.00 0.00 N ATOM 298 CA GLU A 19 12.656 -6.653 -6.028 1.00 0.00 C ATOM 299 C GLU A 19 12.669 -5.603 -7.135 1.00 0.00 C ATOM 300 O GLU A 19 12.746 -4.405 -6.861 1.00 0.00 O ATOM 301 CB GLU A 19 14.081 -7.132 -5.744 1.00 0.00 C ATOM 302 CG GLU A 19 14.224 -7.874 -4.424 1.00 0.00 C ATOM 303 CD GLU A 19 13.387 -9.137 -4.365 1.00 0.00 C ATOM 304 OE1 GLU A 19 13.888 -10.201 -4.786 1.00 0.00 O ATOM 305 OE2 GLU A 19 12.230 -9.061 -3.899 1.00 0.00 O ATOM 0 H GLU A 19 12.307 -8.653 -6.553 1.00 0.00 H new ATOM 0 HA GLU A 19 12.247 -6.193 -5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.404 -7.785 -6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.751 -6.272 -5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.272 -8.131 -4.269 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.933 -7.213 -3.608 1.00 0.00 H new ATOM 312 N GLU A 20 12.595 -6.055 -8.384 1.00 0.00 N ATOM 313 CA GLU A 20 12.600 -5.145 -9.525 1.00 0.00 C ATOM 314 C GLU A 20 11.382 -4.224 -9.497 1.00 0.00 C ATOM 315 O GLU A 20 11.503 -3.017 -9.696 1.00 0.00 O ATOM 316 CB GLU A 20 12.639 -5.931 -10.839 1.00 0.00 C ATOM 317 CG GLU A 20 11.505 -6.932 -10.988 1.00 0.00 C ATOM 318 CD GLU A 20 11.606 -7.740 -12.267 1.00 0.00 C ATOM 319 OE1 GLU A 20 11.127 -7.257 -13.315 1.00 0.00 O ATOM 320 OE2 GLU A 20 12.164 -8.856 -12.222 1.00 0.00 O ATOM 0 H GLU A 20 12.531 -7.043 -8.631 1.00 0.00 H new ATOM 0 HA GLU A 20 13.496 -4.528 -9.458 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.604 -5.229 -11.673 1.00 0.00 H new ATOM 0 HB3 GLU A 20 13.590 -6.460 -10.907 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.508 -7.609 -10.134 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.553 -6.402 -10.971 1.00 0.00 H new ATOM 327 N GLU A 21 10.211 -4.803 -9.246 1.00 0.00 N ATOM 328 CA GLU A 21 8.972 -4.034 -9.187 1.00 0.00 C ATOM 329 C GLU A 21 8.867 -3.282 -7.866 1.00 0.00 C ATOM 330 O GLU A 21 8.231 -2.230 -7.785 1.00 0.00 O ATOM 331 CB GLU A 21 7.766 -4.960 -9.357 1.00 0.00 C ATOM 332 CG GLU A 21 7.829 -5.824 -10.606 1.00 0.00 C ATOM 333 CD GLU A 21 7.912 -5.005 -11.879 1.00 0.00 C ATOM 334 OE1 GLU A 21 6.848 -4.631 -12.413 1.00 0.00 O ATOM 335 OE2 GLU A 21 9.041 -4.737 -12.339 1.00 0.00 O ATOM 0 H GLU A 21 10.094 -5.803 -9.080 1.00 0.00 H new ATOM 0 HA GLU A 21 8.981 -3.308 -10.000 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.689 -5.606 -8.483 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.858 -4.357 -9.388 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.696 -6.482 -10.545 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.947 -6.463 -10.646 1.00 0.00 H new ATOM 342 N LEU A 22 9.491 -3.836 -6.833 1.00 0.00 N ATOM 343 CA LEU A 22 9.477 -3.236 -5.503 1.00 0.00 C ATOM 344 C LEU A 22 9.935 -1.780 -5.544 1.00 0.00 C ATOM 345 O LEU A 22 9.305 -0.905 -4.951 1.00 0.00 O ATOM 346 CB LEU A 22 10.380 -4.038 -4.563 1.00 0.00 C ATOM 347 CG LEU A 22 10.380 -3.580 -3.105 1.00 0.00 C ATOM 348 CD1 LEU A 22 9.021 -3.825 -2.467 1.00 0.00 C ATOM 349 CD2 LEU A 22 11.475 -4.294 -2.326 1.00 0.00 C ATOM 0 H LEU A 22 10.018 -4.708 -6.892 1.00 0.00 H new ATOM 0 HA LEU A 22 8.452 -3.257 -5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.074 -5.084 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.401 -3.992 -4.941 1.00 0.00 H new ATOM 0 HG LEU A 22 10.580 -2.509 -3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.041 -3.492 -1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.258 -3.269 -3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.789 -4.889 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.463 -3.957 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.304 -5.370 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.444 -4.067 -2.770 1.00 0.00 H new ATOM 361 N LYS A 23 11.035 -1.527 -6.248 1.00 0.00 N ATOM 362 CA LYS A 23 11.580 -0.178 -6.360 1.00 0.00 C ATOM 363 C LYS A 23 10.730 0.691 -7.282 1.00 0.00 C ATOM 364 O LYS A 23 10.591 1.895 -7.061 1.00 0.00 O ATOM 365 CB LYS A 23 13.015 -0.230 -6.884 1.00 0.00 C ATOM 366 CG LYS A 23 13.936 -1.117 -6.060 1.00 0.00 C ATOM 367 CD LYS A 23 15.346 -1.147 -6.632 1.00 0.00 C ATOM 368 CE LYS A 23 15.383 -1.810 -8.001 1.00 0.00 C ATOM 369 NZ LYS A 23 16.760 -1.848 -8.564 1.00 0.00 N ATOM 0 H LYS A 23 11.566 -2.239 -6.749 1.00 0.00 H new ATOM 0 HA LYS A 23 11.571 0.267 -5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.004 -0.590 -7.913 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.422 0.781 -6.904 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.967 -0.754 -5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.534 -2.130 -6.029 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.729 -0.129 -6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.004 -1.684 -5.949 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.995 -2.826 -7.923 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.727 -1.270 -8.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 16.741 -2.307 -9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.121 -0.878 -8.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.381 -2.385 -7.926 1.00 0.00 H new ATOM 383 N ARG A 24 10.165 0.075 -8.316 1.00 0.00 N ATOM 384 CA ARG A 24 9.338 0.794 -9.279 1.00 0.00 C ATOM 385 C ARG A 24 8.138 1.453 -8.605 1.00 0.00 C ATOM 386 O ARG A 24 7.749 2.565 -8.963 1.00 0.00 O ATOM 387 CB ARG A 24 8.863 -0.154 -10.380 1.00 0.00 C ATOM 388 CG ARG A 24 9.983 -0.644 -11.284 1.00 0.00 C ATOM 389 CD ARG A 24 9.456 -1.565 -12.373 1.00 0.00 C ATOM 390 NE ARG A 24 10.513 -1.996 -13.284 1.00 0.00 N ATOM 391 CZ ARG A 24 10.302 -2.757 -14.353 1.00 0.00 C ATOM 392 NH1 ARG A 24 9.075 -3.169 -14.647 1.00 0.00 N ATOM 393 NH2 ARG A 24 11.316 -3.106 -15.131 1.00 0.00 N ATOM 0 H ARG A 24 10.265 -0.922 -8.508 1.00 0.00 H new ATOM 0 HA ARG A 24 9.950 1.581 -9.720 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.374 -1.014 -9.922 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.113 0.353 -10.987 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.485 0.210 -11.739 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.728 -1.172 -10.689 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.993 -2.439 -11.916 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.678 -1.051 -12.938 1.00 0.00 H new ATOM 0 HE ARG A 24 11.468 -1.696 -13.089 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.291 -2.902 -14.052 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.916 -3.753 -15.468 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.260 -2.791 -14.910 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.152 -3.690 -15.951 1.00 0.00 H new ATOM 407 N PHE A 25 7.554 0.764 -7.629 1.00 0.00 N ATOM 408 CA PHE A 25 6.393 1.288 -6.916 1.00 0.00 C ATOM 409 C PHE A 25 6.733 2.584 -6.185 1.00 0.00 C ATOM 410 O PHE A 25 6.044 3.590 -6.341 1.00 0.00 O ATOM 411 CB PHE A 25 5.860 0.252 -5.923 1.00 0.00 C ATOM 412 CG PHE A 25 4.627 0.703 -5.191 1.00 0.00 C ATOM 413 CD1 PHE A 25 3.462 0.999 -5.882 1.00 0.00 C ATOM 414 CD2 PHE A 25 4.633 0.832 -3.811 1.00 0.00 C ATOM 415 CE1 PHE A 25 2.328 1.415 -5.211 1.00 0.00 C ATOM 416 CE2 PHE A 25 3.501 1.246 -3.134 1.00 0.00 C ATOM 417 CZ PHE A 25 2.348 1.540 -3.836 1.00 0.00 C ATOM 0 H PHE A 25 7.864 -0.155 -7.314 1.00 0.00 H new ATOM 0 HA PHE A 25 5.620 1.503 -7.654 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.638 -0.672 -6.458 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.640 0.021 -5.197 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.441 0.903 -6.958 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.533 0.606 -3.258 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.427 1.642 -5.761 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.518 1.339 -2.058 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.463 1.867 -3.310 1.00 0.00 H new ATOM 427 N LYS A 26 7.795 2.553 -5.385 1.00 0.00 N ATOM 428 CA LYS A 26 8.218 3.732 -4.635 1.00 0.00 C ATOM 429 C LYS A 26 8.602 4.870 -5.574 1.00 0.00 C ATOM 430 O LYS A 26 8.441 6.043 -5.241 1.00 0.00 O ATOM 431 CB LYS A 26 9.403 3.393 -3.729 1.00 0.00 C ATOM 432 CG LYS A 26 9.027 2.565 -2.512 1.00 0.00 C ATOM 433 CD LYS A 26 10.205 2.406 -1.566 1.00 0.00 C ATOM 434 CE LYS A 26 9.793 1.727 -0.270 1.00 0.00 C ATOM 435 NZ LYS A 26 8.696 2.460 0.415 1.00 0.00 N ATOM 0 H LYS A 26 8.377 1.728 -5.239 1.00 0.00 H new ATOM 0 HA LYS A 26 7.377 4.055 -4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.149 2.850 -4.310 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.871 4.320 -3.396 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.199 3.041 -1.988 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.679 1.583 -2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.986 1.821 -2.052 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.630 3.385 -1.345 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.472 0.707 -0.481 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.655 1.659 0.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.894 2.507 1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.629 3.424 0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.796 1.962 0.260 1.00 0.00 H new ATOM 449 N TYR A 27 9.108 4.513 -6.748 1.00 0.00 N ATOM 450 CA TYR A 27 9.528 5.502 -7.735 1.00 0.00 C ATOM 451 C TYR A 27 8.339 6.289 -8.280 1.00 0.00 C ATOM 452 O TYR A 27 8.399 7.512 -8.404 1.00 0.00 O ATOM 453 CB TYR A 27 10.263 4.810 -8.886 1.00 0.00 C ATOM 454 CG TYR A 27 10.821 5.763 -9.920 1.00 0.00 C ATOM 455 CD1 TYR A 27 12.064 6.358 -9.745 1.00 0.00 C ATOM 456 CD2 TYR A 27 10.105 6.066 -11.071 1.00 0.00 C ATOM 457 CE1 TYR A 27 12.579 7.226 -10.689 1.00 0.00 C ATOM 458 CE2 TYR A 27 10.612 6.933 -12.020 1.00 0.00 C ATOM 459 CZ TYR A 27 11.849 7.511 -11.824 1.00 0.00 C ATOM 460 OH TYR A 27 12.358 8.375 -12.766 1.00 0.00 O ATOM 0 H TYR A 27 9.238 3.545 -7.041 1.00 0.00 H new ATOM 0 HA TYR A 27 10.199 6.204 -7.241 1.00 0.00 H new ATOM 0 HB2 TYR A 27 11.080 4.215 -8.477 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.579 4.118 -9.376 1.00 0.00 H new ATOM 0 HD1 TYR A 27 12.637 6.139 -8.856 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.136 5.616 -11.227 1.00 0.00 H new ATOM 0 HE1 TYR A 27 13.548 7.679 -10.539 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.043 7.157 -12.910 1.00 0.00 H new ATOM 0 HH TYR A 27 11.720 8.467 -13.504 1.00 0.00 H new ATOM 470 N PHE A 28 7.262 5.582 -8.602 1.00 0.00 N ATOM 471 CA PHE A 28 6.069 6.214 -9.153 1.00 0.00 C ATOM 472 C PHE A 28 5.220 6.862 -8.062 1.00 0.00 C ATOM 473 O PHE A 28 4.908 8.052 -8.132 1.00 0.00 O ATOM 474 CB PHE A 28 5.240 5.182 -9.917 1.00 0.00 C ATOM 475 CG PHE A 28 4.333 5.784 -10.951 1.00 0.00 C ATOM 476 CD1 PHE A 28 4.832 6.170 -12.183 1.00 0.00 C ATOM 477 CD2 PHE A 28 2.984 5.962 -10.693 1.00 0.00 C ATOM 478 CE1 PHE A 28 4.004 6.722 -13.141 1.00 0.00 C ATOM 479 CE2 PHE A 28 2.149 6.513 -11.646 1.00 0.00 C ATOM 480 CZ PHE A 28 2.660 6.895 -12.872 1.00 0.00 C ATOM 0 H PHE A 28 7.190 4.571 -8.491 1.00 0.00 H new ATOM 0 HA PHE A 28 6.391 7.001 -9.835 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.913 4.476 -10.403 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.640 4.613 -9.207 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.882 6.038 -12.398 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.580 5.667 -9.736 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.407 7.018 -14.099 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.098 6.645 -11.433 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.010 7.328 -13.618 1.00 0.00 H new ATOM 490 N ALA A 29 4.851 6.076 -7.058 1.00 0.00 N ATOM 491 CA ALA A 29 4.027 6.571 -5.959 1.00 0.00 C ATOM 492 C ALA A 29 4.729 7.678 -5.180 1.00 0.00 C ATOM 493 O ALA A 29 4.166 8.753 -4.972 1.00 0.00 O ATOM 494 CB ALA A 29 3.659 5.431 -5.023 1.00 0.00 C ATOM 0 H ALA A 29 5.109 5.092 -6.981 1.00 0.00 H new ATOM 0 HA ALA A 29 3.120 6.992 -6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.045 5.813 -4.208 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.101 4.674 -5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.567 4.987 -4.615 1.00 0.00 H new ATOM 500 N LEU A 30 5.959 7.413 -4.751 1.00 0.00 N ATOM 501 CA LEU A 30 6.723 8.391 -3.984 1.00 0.00 C ATOM 502 C LEU A 30 7.680 9.170 -4.881 1.00 0.00 C ATOM 503 O LEU A 30 8.822 8.761 -5.092 1.00 0.00 O ATOM 504 CB LEU A 30 7.500 7.683 -2.874 1.00 0.00 C ATOM 505 CG LEU A 30 6.685 6.663 -2.076 1.00 0.00 C ATOM 506 CD1 LEU A 30 7.601 5.647 -1.415 1.00 0.00 C ATOM 507 CD2 LEU A 30 5.822 7.366 -1.040 1.00 0.00 C ATOM 0 H LEU A 30 6.446 6.533 -4.920 1.00 0.00 H new ATOM 0 HA LEU A 30 6.025 9.102 -3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.358 7.177 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.891 8.433 -2.187 1.00 0.00 H new ATOM 0 HG LEU A 30 6.028 6.131 -2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.003 4.930 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.173 5.121 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.285 6.160 -0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.249 6.626 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.459 7.925 -0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.139 8.052 -1.541 1.00 0.00 H new ATOM 519 N THR A 31 7.203 10.290 -5.414 1.00 0.00 N ATOM 520 CA THR A 31 8.017 11.128 -6.286 1.00 0.00 C ATOM 521 C THR A 31 8.744 12.213 -5.500 1.00 0.00 C ATOM 522 O THR A 31 9.953 12.394 -5.642 1.00 0.00 O ATOM 523 CB THR A 31 7.162 11.792 -7.379 1.00 0.00 C ATOM 524 OG1 THR A 31 6.190 12.660 -6.784 1.00 0.00 O ATOM 525 CG2 THR A 31 6.460 10.742 -8.224 1.00 0.00 C ATOM 0 H THR A 31 6.257 10.638 -5.257 1.00 0.00 H new ATOM 0 HA THR A 31 8.752 10.472 -6.751 1.00 0.00 H new ATOM 0 HB THR A 31 7.822 12.375 -8.022 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.652 13.079 -7.487 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.861 11.233 -8.991 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.203 10.101 -8.699 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.812 10.138 -7.589 1.00 0.00 H new ATOM 533 N GLU A 32 7.994 12.933 -4.670 1.00 0.00 N ATOM 534 CA GLU A 32 8.557 14.011 -3.865 1.00 0.00 C ATOM 535 C GLU A 32 8.908 13.541 -2.457 1.00 0.00 C ATOM 536 O GLU A 32 9.621 14.230 -1.728 1.00 0.00 O ATOM 537 CB GLU A 32 7.574 15.180 -3.788 1.00 0.00 C ATOM 538 CG GLU A 32 7.259 15.801 -5.139 1.00 0.00 C ATOM 539 CD GLU A 32 6.326 16.991 -5.029 1.00 0.00 C ATOM 540 OE1 GLU A 32 6.824 18.123 -4.850 1.00 0.00 O ATOM 541 OE2 GLU A 32 5.096 16.791 -5.120 1.00 0.00 O ATOM 0 H GLU A 32 6.993 12.788 -4.538 1.00 0.00 H new ATOM 0 HA GLU A 32 9.477 14.337 -4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.647 14.834 -3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.986 15.947 -3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.187 16.115 -5.616 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.807 15.048 -5.785 1.00 0.00 H new ATOM 548 N PHE A 33 8.408 12.369 -2.074 1.00 0.00 N ATOM 549 CA PHE A 33 8.675 11.837 -0.742 1.00 0.00 C ATOM 550 C PHE A 33 10.077 11.237 -0.663 1.00 0.00 C ATOM 551 O PHE A 33 10.673 11.174 0.412 1.00 0.00 O ATOM 552 CB PHE A 33 7.629 10.783 -0.376 1.00 0.00 C ATOM 553 CG PHE A 33 6.216 11.288 -0.458 1.00 0.00 C ATOM 554 CD1 PHE A 33 5.673 12.039 0.573 1.00 0.00 C ATOM 555 CD2 PHE A 33 5.431 11.011 -1.565 1.00 0.00 C ATOM 556 CE1 PHE A 33 4.375 12.505 0.499 1.00 0.00 C ATOM 557 CE2 PHE A 33 4.131 11.474 -1.644 1.00 0.00 C ATOM 558 CZ PHE A 33 3.603 12.223 -0.611 1.00 0.00 C ATOM 0 H PHE A 33 7.822 11.775 -2.661 1.00 0.00 H new ATOM 0 HA PHE A 33 8.616 12.659 -0.029 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.740 9.926 -1.041 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.821 10.428 0.636 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.272 12.262 1.444 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.839 10.426 -2.376 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.964 13.090 1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.529 11.250 -2.512 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.588 12.588 -0.671 1.00 0.00 H new ATOM 568 N GLN A 34 10.596 10.811 -1.813 1.00 0.00 N ATOM 569 CA GLN A 34 11.937 10.236 -1.903 1.00 0.00 C ATOM 570 C GLN A 34 12.249 9.300 -0.734 1.00 0.00 C ATOM 571 O GLN A 34 13.098 9.605 0.104 1.00 0.00 O ATOM 572 CB GLN A 34 12.986 11.348 -1.972 1.00 0.00 C ATOM 573 CG GLN A 34 12.880 12.204 -3.224 1.00 0.00 C ATOM 574 CD GLN A 34 13.061 11.400 -4.496 1.00 0.00 C ATOM 575 OE1 GLN A 34 12.099 10.873 -5.053 1.00 0.00 O ATOM 576 NE2 GLN A 34 14.300 11.300 -4.962 1.00 0.00 N ATOM 0 H GLN A 34 10.102 10.854 -2.704 1.00 0.00 H new ATOM 0 HA GLN A 34 11.970 9.642 -2.816 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.885 11.987 -1.095 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.980 10.902 -1.929 1.00 0.00 H new ATOM 0 HG2 GLN A 34 11.906 12.694 -3.244 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.633 12.992 -3.186 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.069 11.753 -4.468 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.483 10.770 -5.814 1.00 0.00 H new ATOM 585 N ILE A 35 11.561 8.164 -0.674 1.00 0.00 N ATOM 586 CA ILE A 35 11.792 7.193 0.393 1.00 0.00 C ATOM 587 C ILE A 35 13.096 6.434 0.153 1.00 0.00 C ATOM 588 O ILE A 35 13.396 6.039 -0.975 1.00 0.00 O ATOM 589 CB ILE A 35 10.613 6.195 0.518 1.00 0.00 C ATOM 590 CG1 ILE A 35 9.547 6.738 1.475 1.00 0.00 C ATOM 591 CG2 ILE A 35 11.098 4.830 0.993 1.00 0.00 C ATOM 592 CD1 ILE A 35 8.890 8.017 1.004 1.00 0.00 C ATOM 0 H ILE A 35 10.843 7.893 -1.346 1.00 0.00 H new ATOM 0 HA ILE A 35 11.868 7.746 1.329 1.00 0.00 H new ATOM 0 HB ILE A 35 10.170 6.076 -0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.779 5.978 1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.004 6.914 2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.250 4.150 1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.818 4.431 0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.573 4.932 1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.148 8.336 1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.646 8.794 0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.402 7.844 0.045 1.00 0.00 H new ATOM 604 N ALA A 36 13.867 6.235 1.218 1.00 0.00 N ATOM 605 CA ALA A 36 15.141 5.527 1.122 1.00 0.00 C ATOM 606 C ALA A 36 14.935 4.052 0.791 1.00 0.00 C ATOM 607 O ALA A 36 13.997 3.422 1.274 1.00 0.00 O ATOM 608 CB ALA A 36 15.924 5.677 2.418 1.00 0.00 C ATOM 0 H ALA A 36 13.632 6.554 2.158 1.00 0.00 H new ATOM 0 HA ALA A 36 15.713 5.972 0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.872 5.145 2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.116 6.733 2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.346 5.260 3.243 1.00 0.00 H new ATOM 614 N ARG A 37 15.820 3.510 -0.040 1.00 0.00 N ATOM 615 CA ARG A 37 15.744 2.108 -0.442 1.00 0.00 C ATOM 616 C ARG A 37 16.012 1.180 0.741 1.00 0.00 C ATOM 617 O ARG A 37 15.454 0.087 0.824 1.00 0.00 O ATOM 618 CB ARG A 37 16.752 1.822 -1.555 1.00 0.00 C ATOM 619 CG ARG A 37 18.195 2.059 -1.137 1.00 0.00 C ATOM 620 CD ARG A 37 19.172 1.602 -2.207 1.00 0.00 C ATOM 621 NE ARG A 37 19.031 0.179 -2.508 1.00 0.00 N ATOM 622 CZ ARG A 37 19.865 -0.493 -3.293 1.00 0.00 C ATOM 623 NH1 ARG A 37 20.896 0.124 -3.857 1.00 0.00 N ATOM 624 NH2 ARG A 37 19.671 -1.787 -3.516 1.00 0.00 N ATOM 0 H ARG A 37 16.601 4.022 -0.450 1.00 0.00 H new ATOM 0 HA ARG A 37 14.735 1.920 -0.808 1.00 0.00 H new ATOM 0 HB2 ARG A 37 16.640 0.787 -1.879 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.522 2.452 -2.414 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.346 3.119 -0.935 1.00 0.00 H new ATOM 0 HG3 ARG A 37 18.397 1.526 -0.208 1.00 0.00 H new ATOM 0 HD2 ARG A 37 19.011 2.182 -3.116 1.00 0.00 H new ATOM 0 HD3 ARG A 37 20.191 1.803 -1.877 1.00 0.00 H new ATOM 0 HE ARG A 37 18.249 -0.326 -2.092 1.00 0.00 H new ATOM 0 HH11 ARG A 37 21.050 1.118 -3.688 1.00 0.00 H new ATOM 0 HH12 ARG A 37 21.534 -0.396 -4.459 1.00 0.00 H new ATOM 0 HH21 ARG A 37 18.881 -2.266 -3.084 1.00 0.00 H new ATOM 0 HH22 ARG A 37 20.312 -2.302 -4.119 1.00 0.00 H new ATOM 638 N SER A 38 16.874 1.625 1.649 1.00 0.00 N ATOM 639 CA SER A 38 17.235 0.836 2.822 1.00 0.00 C ATOM 640 C SER A 38 16.014 0.510 3.682 1.00 0.00 C ATOM 641 O SER A 38 15.985 -0.513 4.367 1.00 0.00 O ATOM 642 CB SER A 38 18.274 1.585 3.657 1.00 0.00 C ATOM 643 OG SER A 38 17.772 2.837 4.093 1.00 0.00 O ATOM 0 H SER A 38 17.338 2.532 1.595 1.00 0.00 H new ATOM 0 HA SER A 38 17.657 -0.106 2.471 1.00 0.00 H new ATOM 0 HB2 SER A 38 18.555 0.982 4.520 1.00 0.00 H new ATOM 0 HB3 SER A 38 19.178 1.738 3.067 1.00 0.00 H new ATOM 0 HG SER A 38 18.455 3.295 4.626 1.00 0.00 H new ATOM 649 N THR A 39 15.013 1.382 3.641 1.00 0.00 N ATOM 650 CA THR A 39 13.794 1.194 4.427 1.00 0.00 C ATOM 651 C THR A 39 12.986 -0.015 3.959 1.00 0.00 C ATOM 652 O THR A 39 12.120 -0.502 4.683 1.00 0.00 O ATOM 653 CB THR A 39 12.894 2.441 4.378 1.00 0.00 C ATOM 654 OG1 THR A 39 12.369 2.617 3.058 1.00 0.00 O ATOM 655 CG2 THR A 39 13.670 3.683 4.793 1.00 0.00 C ATOM 0 H THR A 39 15.019 2.228 3.072 1.00 0.00 H new ATOM 0 HA THR A 39 14.122 1.021 5.452 1.00 0.00 H new ATOM 0 HB THR A 39 12.070 2.296 5.077 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.975 3.186 2.538 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.014 4.553 4.751 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.041 3.557 5.810 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.511 3.830 4.115 1.00 0.00 H new ATOM 663 N LEU A 40 13.265 -0.488 2.746 1.00 0.00 N ATOM 664 CA LEU A 40 12.552 -1.636 2.182 1.00 0.00 C ATOM 665 C LEU A 40 12.524 -2.826 3.143 1.00 0.00 C ATOM 666 O LEU A 40 11.728 -3.750 2.973 1.00 0.00 O ATOM 667 CB LEU A 40 13.193 -2.060 0.857 1.00 0.00 C ATOM 668 CG LEU A 40 12.915 -1.131 -0.327 1.00 0.00 C ATOM 669 CD1 LEU A 40 13.758 -1.527 -1.528 1.00 0.00 C ATOM 670 CD2 LEU A 40 11.438 -1.156 -0.686 1.00 0.00 C ATOM 0 H LEU A 40 13.980 -0.095 2.133 1.00 0.00 H new ATOM 0 HA LEU A 40 11.523 -1.322 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.272 -2.129 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 40 12.840 -3.060 0.605 1.00 0.00 H new ATOM 0 HG LEU A 40 13.185 -0.116 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 40 13.546 -0.855 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 40 14.815 -1.461 -1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.519 -2.550 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.257 -0.490 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.146 -2.171 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.850 -0.825 0.170 1.00 0.00 H new ATOM 682 N ASP A 41 13.393 -2.803 4.150 1.00 0.00 N ATOM 683 CA ASP A 41 13.459 -3.884 5.128 1.00 0.00 C ATOM 684 C ASP A 41 12.131 -4.052 5.864 1.00 0.00 C ATOM 685 O ASP A 41 11.702 -5.173 6.139 1.00 0.00 O ATOM 686 CB ASP A 41 14.580 -3.617 6.134 1.00 0.00 C ATOM 687 CG ASP A 41 14.734 -4.742 7.140 1.00 0.00 C ATOM 688 OD1 ASP A 41 15.441 -5.723 6.829 1.00 0.00 O ATOM 689 OD2 ASP A 41 14.146 -4.642 8.237 1.00 0.00 O ATOM 0 H ASP A 41 14.060 -2.048 4.310 1.00 0.00 H new ATOM 0 HA ASP A 41 13.668 -4.808 4.589 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.520 -3.480 5.599 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.376 -2.686 6.663 1.00 0.00 H new ATOM 694 N VAL A 42 11.483 -2.934 6.180 1.00 0.00 N ATOM 695 CA VAL A 42 10.206 -2.960 6.890 1.00 0.00 C ATOM 696 C VAL A 42 9.270 -1.863 6.404 1.00 0.00 C ATOM 697 O VAL A 42 8.267 -1.562 7.052 1.00 0.00 O ATOM 698 CB VAL A 42 10.405 -2.788 8.405 1.00 0.00 C ATOM 699 CG1 VAL A 42 10.814 -4.105 9.045 1.00 0.00 C ATOM 700 CG2 VAL A 42 11.435 -1.707 8.686 1.00 0.00 C ATOM 0 H VAL A 42 11.821 -1.998 5.956 1.00 0.00 H new ATOM 0 HA VAL A 42 9.762 -3.934 6.684 1.00 0.00 H new ATOM 0 HB VAL A 42 9.457 -2.479 8.845 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.950 -3.962 10.117 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.037 -4.850 8.874 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.749 -4.449 8.604 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.564 -1.598 9.763 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.387 -1.985 8.233 1.00 0.00 H new ATOM 0 HG23 VAL A 42 11.095 -0.761 8.264 1.00 0.00 H new ATOM 710 N ALA A 43 9.598 -1.272 5.263 1.00 0.00 N ATOM 711 CA ALA A 43 8.791 -0.196 4.707 1.00 0.00 C ATOM 712 C ALA A 43 7.330 -0.576 4.579 1.00 0.00 C ATOM 713 O ALA A 43 6.453 0.271 4.685 1.00 0.00 O ATOM 714 CB ALA A 43 9.321 0.244 3.356 1.00 0.00 C ATOM 0 H ALA A 43 10.416 -1.519 4.706 1.00 0.00 H new ATOM 0 HA ALA A 43 8.863 0.634 5.410 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.698 1.049 2.965 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.346 0.599 3.465 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.300 -0.599 2.665 1.00 0.00 H new ATOM 720 N ASP A 44 7.060 -1.844 4.372 1.00 0.00 N ATOM 721 CA ASP A 44 5.685 -2.276 4.196 1.00 0.00 C ATOM 722 C ASP A 44 4.820 -1.913 5.400 1.00 0.00 C ATOM 723 O ASP A 44 3.783 -1.267 5.247 1.00 0.00 O ATOM 724 CB ASP A 44 5.635 -3.784 3.951 1.00 0.00 C ATOM 725 CG ASP A 44 6.326 -4.575 5.045 1.00 0.00 C ATOM 726 OD1 ASP A 44 7.556 -4.770 4.949 1.00 0.00 O ATOM 727 OD2 ASP A 44 5.637 -5.001 5.996 1.00 0.00 O ATOM 0 H ASP A 44 7.758 -2.586 4.321 1.00 0.00 H new ATOM 0 HA ASP A 44 5.283 -1.754 3.328 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.595 -4.102 3.879 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.104 -4.009 2.993 1.00 0.00 H new ATOM 732 N ARG A 45 5.234 -2.322 6.597 1.00 0.00 N ATOM 733 CA ARG A 45 4.451 -2.027 7.794 1.00 0.00 C ATOM 734 C ARG A 45 4.656 -0.614 8.367 1.00 0.00 C ATOM 735 O ARG A 45 3.712 0.171 8.451 1.00 0.00 O ATOM 736 CB ARG A 45 4.719 -3.080 8.877 1.00 0.00 C ATOM 737 CG ARG A 45 6.189 -3.275 9.215 1.00 0.00 C ATOM 738 CD ARG A 45 6.387 -4.452 10.160 1.00 0.00 C ATOM 739 NE ARG A 45 5.598 -4.311 11.381 1.00 0.00 N ATOM 740 CZ ARG A 45 5.657 -5.160 12.404 1.00 0.00 C ATOM 741 NH1 ARG A 45 6.474 -6.206 12.359 1.00 0.00 N ATOM 742 NH2 ARG A 45 4.901 -4.963 13.475 1.00 0.00 N ATOM 0 H ARG A 45 6.091 -2.849 6.763 1.00 0.00 H new ATOM 0 HA ARG A 45 3.409 -2.064 7.475 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.185 -2.795 9.784 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.305 -4.034 8.550 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.756 -3.442 8.299 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.583 -2.368 9.673 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.108 -5.375 9.653 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.443 -4.536 10.418 1.00 0.00 H new ATOM 0 HE ARG A 45 4.964 -3.515 11.454 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.059 -6.361 11.538 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.516 -6.854 13.145 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.273 -4.160 13.515 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.947 -5.614 14.259 1.00 0.00 H new ATOM 756 N THR A 46 5.894 -0.301 8.760 1.00 0.00 N ATOM 757 CA THR A 46 6.210 0.980 9.410 1.00 0.00 C ATOM 758 C THR A 46 6.435 2.199 8.501 1.00 0.00 C ATOM 759 O THR A 46 5.756 3.215 8.646 1.00 0.00 O ATOM 760 CB THR A 46 7.441 0.833 10.325 1.00 0.00 C ATOM 761 OG1 THR A 46 7.856 2.120 10.799 1.00 0.00 O ATOM 762 CG2 THR A 46 8.592 0.162 9.592 1.00 0.00 C ATOM 0 H THR A 46 6.698 -0.917 8.640 1.00 0.00 H new ATOM 0 HA THR A 46 5.295 1.197 9.961 1.00 0.00 H new ATOM 0 HB THR A 46 7.160 0.206 11.171 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.638 2.018 11.381 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.447 0.072 10.262 1.00 0.00 H new ATOM 0 HG22 THR A 46 8.284 -0.830 9.261 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.872 0.763 8.726 1.00 0.00 H new ATOM 770 N GLU A 47 7.378 2.100 7.569 1.00 0.00 N ATOM 771 CA GLU A 47 7.753 3.249 6.734 1.00 0.00 C ATOM 772 C GLU A 47 6.672 3.728 5.764 1.00 0.00 C ATOM 773 O GLU A 47 6.239 4.876 5.842 1.00 0.00 O ATOM 774 CB GLU A 47 9.027 2.918 5.962 1.00 0.00 C ATOM 775 CG GLU A 47 10.114 3.967 6.114 1.00 0.00 C ATOM 776 CD GLU A 47 10.559 4.142 7.552 1.00 0.00 C ATOM 777 OE1 GLU A 47 11.405 3.346 8.012 1.00 0.00 O ATOM 778 OE2 GLU A 47 10.061 5.072 8.218 1.00 0.00 O ATOM 0 H GLU A 47 7.897 1.245 7.369 1.00 0.00 H new ATOM 0 HA GLU A 47 7.907 4.078 7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.410 1.956 6.303 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.784 2.808 4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.972 3.686 5.504 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.749 4.921 5.732 1.00 0.00 H new ATOM 785 N LEU A 48 6.239 2.865 4.858 1.00 0.00 N ATOM 786 CA LEU A 48 5.229 3.245 3.873 1.00 0.00 C ATOM 787 C LEU A 48 3.944 3.715 4.536 1.00 0.00 C ATOM 788 O LEU A 48 3.433 4.786 4.222 1.00 0.00 O ATOM 789 CB LEU A 48 4.919 2.079 2.929 1.00 0.00 C ATOM 790 CG LEU A 48 5.859 1.944 1.732 1.00 0.00 C ATOM 791 CD1 LEU A 48 5.595 0.643 0.990 1.00 0.00 C ATOM 792 CD2 LEU A 48 5.697 3.133 0.796 1.00 0.00 C ATOM 0 H LEU A 48 6.566 1.902 4.781 1.00 0.00 H new ATOM 0 HA LEU A 48 5.643 4.073 3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.949 1.152 3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.900 2.193 2.559 1.00 0.00 H new ATOM 0 HG LEU A 48 6.885 1.928 2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.274 0.564 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.757 -0.199 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.565 0.630 0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.373 3.023 -0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.669 3.176 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.933 4.052 1.332 1.00 0.00 H new ATOM 804 N ALA A 49 3.439 2.916 5.461 1.00 0.00 N ATOM 805 CA ALA A 49 2.192 3.241 6.150 1.00 0.00 C ATOM 806 C ALA A 49 2.210 4.644 6.757 1.00 0.00 C ATOM 807 O ALA A 49 1.336 5.460 6.473 1.00 0.00 O ATOM 808 CB ALA A 49 1.902 2.208 7.226 1.00 0.00 C ATOM 0 H ALA A 49 3.869 2.039 5.755 1.00 0.00 H new ATOM 0 HA ALA A 49 1.398 3.223 5.404 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.970 2.461 7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.810 1.223 6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.717 2.198 7.950 1.00 0.00 H new ATOM 814 N ASP A 50 3.207 4.925 7.584 1.00 0.00 N ATOM 815 CA ASP A 50 3.311 6.228 8.241 1.00 0.00 C ATOM 816 C ASP A 50 3.619 7.364 7.265 1.00 0.00 C ATOM 817 O ASP A 50 3.144 8.486 7.444 1.00 0.00 O ATOM 818 CB ASP A 50 4.385 6.183 9.329 1.00 0.00 C ATOM 819 CG ASP A 50 3.959 5.360 10.530 1.00 0.00 C ATOM 820 OD1 ASP A 50 4.216 4.138 10.535 1.00 0.00 O ATOM 821 OD2 ASP A 50 3.367 5.939 11.465 1.00 0.00 O ATOM 0 H ASP A 50 3.955 4.273 7.818 1.00 0.00 H new ATOM 0 HA ASP A 50 2.336 6.435 8.681 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.302 5.766 8.913 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.614 7.199 9.651 1.00 0.00 H new ATOM 826 N HIS A 51 4.409 7.078 6.235 1.00 0.00 N ATOM 827 CA HIS A 51 4.807 8.103 5.267 1.00 0.00 C ATOM 828 C HIS A 51 3.696 8.504 4.293 1.00 0.00 C ATOM 829 O HIS A 51 3.318 9.674 4.227 1.00 0.00 O ATOM 830 CB HIS A 51 6.028 7.632 4.476 1.00 0.00 C ATOM 831 CG HIS A 51 7.328 7.926 5.154 1.00 0.00 C ATOM 832 ND1 HIS A 51 8.165 6.960 5.671 1.00 0.00 N ATOM 833 CD2 HIS A 51 7.939 9.115 5.390 1.00 0.00 C ATOM 834 CE1 HIS A 51 9.232 7.579 6.194 1.00 0.00 C ATOM 835 NE2 HIS A 51 9.144 8.887 6.049 1.00 0.00 N ATOM 0 H HIS A 51 4.787 6.150 6.046 1.00 0.00 H new ATOM 0 HA HIS A 51 5.044 8.991 5.853 1.00 0.00 H new ATOM 0 HB2 HIS A 51 5.950 6.558 4.308 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.022 8.109 3.496 1.00 0.00 H new ATOM 0 HD1 HIS A 51 8.001 5.953 5.658 1.00 0.00 H new ATOM 0 HD2 HIS A 51 7.552 10.084 5.111 1.00 0.00 H new ATOM 0 HE1 HIS A 51 10.057 7.073 6.672 1.00 0.00 H new ATOM 843 N LEU A 52 3.177 7.540 3.539 1.00 0.00 N ATOM 844 CA LEU A 52 2.150 7.829 2.536 1.00 0.00 C ATOM 845 C LEU A 52 0.828 8.305 3.144 1.00 0.00 C ATOM 846 O LEU A 52 0.151 9.151 2.561 1.00 0.00 O ATOM 847 CB LEU A 52 1.915 6.608 1.639 1.00 0.00 C ATOM 848 CG LEU A 52 1.273 5.398 2.317 1.00 0.00 C ATOM 849 CD1 LEU A 52 -0.238 5.431 2.156 1.00 0.00 C ATOM 850 CD2 LEU A 52 1.842 4.107 1.748 1.00 0.00 C ATOM 0 H LEU A 52 3.446 6.558 3.600 1.00 0.00 H new ATOM 0 HA LEU A 52 2.531 8.655 1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.283 6.911 0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.872 6.300 1.219 1.00 0.00 H new ATOM 0 HG LEU A 52 1.504 5.439 3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.675 4.561 2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.633 6.340 2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.491 5.416 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.375 3.255 2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.641 4.062 0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.918 4.078 1.917 1.00 0.00 H new ATOM 862 N ILE A 53 0.452 7.771 4.304 1.00 0.00 N ATOM 863 CA ILE A 53 -0.806 8.166 4.942 1.00 0.00 C ATOM 864 C ILE A 53 -0.827 9.658 5.267 1.00 0.00 C ATOM 865 O ILE A 53 -1.835 10.331 5.054 1.00 0.00 O ATOM 866 CB ILE A 53 -1.087 7.354 6.232 1.00 0.00 C ATOM 867 CG1 ILE A 53 -1.497 5.910 5.903 1.00 0.00 C ATOM 868 CG2 ILE A 53 -2.164 8.025 7.075 1.00 0.00 C ATOM 869 CD1 ILE A 53 -2.518 5.785 4.789 1.00 0.00 C ATOM 0 H ILE A 53 0.990 7.073 4.817 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.593 7.949 4.220 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.162 7.325 6.808 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.606 5.347 5.627 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.901 5.446 6.803 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.342 7.435 7.974 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.835 9.025 7.356 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.086 8.095 6.498 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.749 4.733 4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.428 6.317 5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.112 6.215 3.874 1.00 0.00 H new ATOM 881 N GLN A 54 0.282 10.171 5.785 1.00 0.00 N ATOM 882 CA GLN A 54 0.375 11.585 6.140 1.00 0.00 C ATOM 883 C GLN A 54 0.079 12.482 4.940 1.00 0.00 C ATOM 884 O GLN A 54 -0.362 13.620 5.102 1.00 0.00 O ATOM 885 CB GLN A 54 1.760 11.907 6.706 1.00 0.00 C ATOM 886 CG GLN A 54 1.991 11.344 8.100 1.00 0.00 C ATOM 887 CD GLN A 54 1.028 11.911 9.125 1.00 0.00 C ATOM 888 OE1 GLN A 54 1.307 12.930 9.759 1.00 0.00 O ATOM 889 NE2 GLN A 54 -0.114 11.254 9.294 1.00 0.00 N ATOM 0 H GLN A 54 1.128 9.632 5.969 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.376 11.782 6.905 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.520 11.511 6.032 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.890 12.989 6.733 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.888 10.259 8.071 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.014 11.559 8.410 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.305 10.414 8.748 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.800 11.590 9.970 1.00 0.00 H new ATOM 898 N SER A 55 0.327 11.966 3.740 1.00 0.00 N ATOM 899 CA SER A 55 0.102 12.727 2.513 1.00 0.00 C ATOM 900 C SER A 55 -1.339 13.226 2.403 1.00 0.00 C ATOM 901 O SER A 55 -1.575 14.429 2.294 1.00 0.00 O ATOM 902 CB SER A 55 0.442 11.871 1.292 1.00 0.00 C ATOM 903 OG SER A 55 0.239 12.593 0.090 1.00 0.00 O ATOM 0 H SER A 55 0.684 11.023 3.590 1.00 0.00 H new ATOM 0 HA SER A 55 0.756 13.598 2.548 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.480 11.543 1.352 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.177 10.974 1.290 1.00 0.00 H new ATOM 0 HG SER A 55 0.465 12.024 -0.675 1.00 0.00 H new ATOM 909 N ALA A 56 -2.300 12.304 2.432 1.00 0.00 N ATOM 910 CA ALA A 56 -3.709 12.678 2.315 1.00 0.00 C ATOM 911 C ALA A 56 -4.537 12.182 3.497 1.00 0.00 C ATOM 912 O ALA A 56 -5.469 12.857 3.936 1.00 0.00 O ATOM 913 CB ALA A 56 -4.284 12.141 1.013 1.00 0.00 C ATOM 0 H ALA A 56 -2.132 11.303 2.534 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.759 13.767 2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.334 12.424 0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.731 12.559 0.171 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.200 11.054 0.999 1.00 0.00 H new ATOM 919 N GLY A 57 -4.197 11.005 4.009 1.00 0.00 N ATOM 920 CA GLY A 57 -4.932 10.447 5.131 1.00 0.00 C ATOM 921 C GLY A 57 -4.871 8.933 5.167 1.00 0.00 C ATOM 922 O GLY A 57 -4.303 8.308 4.272 1.00 0.00 O ATOM 0 H GLY A 57 -3.428 10.428 3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.528 10.846 6.061 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.973 10.765 5.074 1.00 0.00 H new ATOM 926 N ALA A 58 -5.460 8.341 6.203 1.00 0.00 N ATOM 927 CA ALA A 58 -5.459 6.892 6.353 1.00 0.00 C ATOM 928 C ALA A 58 -6.299 6.212 5.275 1.00 0.00 C ATOM 929 O ALA A 58 -5.763 5.557 4.385 1.00 0.00 O ATOM 930 CB ALA A 58 -5.962 6.506 7.736 1.00 0.00 C ATOM 0 H ALA A 58 -5.943 8.843 6.948 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.431 6.548 6.237 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.956 5.421 7.835 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.313 6.943 8.494 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.978 6.877 7.870 1.00 0.00 H new ATOM 936 N ALA A 59 -7.614 6.383 5.352 1.00 0.00 N ATOM 937 CA ALA A 59 -8.525 5.769 4.390 1.00 0.00 C ATOM 938 C ALA A 59 -8.370 6.364 2.992 1.00 0.00 C ATOM 939 O ALA A 59 -8.543 5.666 1.992 1.00 0.00 O ATOM 940 CB ALA A 59 -9.962 5.912 4.868 1.00 0.00 C ATOM 0 H ALA A 59 -8.074 6.942 6.071 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.269 4.712 4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.634 5.451 4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.075 5.419 5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.208 6.969 4.970 1.00 0.00 H new ATOM 946 N SER A 60 -8.045 7.650 2.927 1.00 0.00 N ATOM 947 CA SER A 60 -7.889 8.338 1.647 1.00 0.00 C ATOM 948 C SER A 60 -6.725 7.778 0.831 1.00 0.00 C ATOM 949 O SER A 60 -6.884 7.449 -0.344 1.00 0.00 O ATOM 950 CB SER A 60 -7.683 9.836 1.876 1.00 0.00 C ATOM 951 OG SER A 60 -8.790 10.407 2.551 1.00 0.00 O ATOM 0 H SER A 60 -7.884 8.239 3.744 1.00 0.00 H new ATOM 0 HA SER A 60 -8.804 8.173 1.078 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.776 9.996 2.459 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.539 10.337 0.919 1.00 0.00 H new ATOM 0 HG SER A 60 -8.632 11.365 2.686 1.00 0.00 H new ATOM 957 N ALA A 61 -5.557 7.673 1.455 1.00 0.00 N ATOM 958 CA ALA A 61 -4.367 7.175 0.770 1.00 0.00 C ATOM 959 C ALA A 61 -4.442 5.678 0.485 1.00 0.00 C ATOM 960 O ALA A 61 -4.015 5.222 -0.576 1.00 0.00 O ATOM 961 CB ALA A 61 -3.123 7.491 1.583 1.00 0.00 C ATOM 0 H ALA A 61 -5.408 7.925 2.432 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.314 7.684 -0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.243 7.115 1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.036 8.570 1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.197 7.015 2.561 1.00 0.00 H new ATOM 967 N VAL A 62 -4.981 4.916 1.429 1.00 0.00 N ATOM 968 CA VAL A 62 -5.089 3.467 1.272 1.00 0.00 C ATOM 969 C VAL A 62 -5.888 3.084 0.025 1.00 0.00 C ATOM 970 O VAL A 62 -5.581 2.090 -0.633 1.00 0.00 O ATOM 971 CB VAL A 62 -5.726 2.818 2.521 1.00 0.00 C ATOM 972 CG1 VAL A 62 -6.117 1.372 2.250 1.00 0.00 C ATOM 973 CG2 VAL A 62 -4.769 2.898 3.699 1.00 0.00 C ATOM 0 H VAL A 62 -5.350 5.274 2.310 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.074 3.088 1.153 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.634 3.370 2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.563 0.941 3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.838 1.337 1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.230 0.801 1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.229 2.437 4.573 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.846 2.372 3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.544 3.943 3.915 1.00 0.00 H new ATOM 983 N THR A 63 -6.904 3.876 -0.301 1.00 0.00 N ATOM 984 CA THR A 63 -7.736 3.600 -1.470 1.00 0.00 C ATOM 985 C THR A 63 -6.989 3.872 -2.773 1.00 0.00 C ATOM 986 O THR A 63 -6.895 3.000 -3.638 1.00 0.00 O ATOM 987 CB THR A 63 -9.032 4.433 -1.455 1.00 0.00 C ATOM 988 OG1 THR A 63 -8.723 5.822 -1.296 1.00 0.00 O ATOM 989 CG2 THR A 63 -9.953 3.979 -0.333 1.00 0.00 C ATOM 0 H THR A 63 -7.171 4.709 0.223 1.00 0.00 H new ATOM 0 HA THR A 63 -7.990 2.541 -1.419 1.00 0.00 H new ATOM 0 HB THR A 63 -9.544 4.285 -2.406 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.873 5.915 -0.818 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.861 4.581 -0.342 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.212 2.930 -0.477 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.447 4.100 0.625 1.00 0.00 H new ATOM 997 N LYS A 64 -6.460 5.084 -2.908 1.00 0.00 N ATOM 998 CA LYS A 64 -5.731 5.471 -4.113 1.00 0.00 C ATOM 999 C LYS A 64 -4.444 4.663 -4.272 1.00 0.00 C ATOM 1000 O LYS A 64 -3.922 4.524 -5.378 1.00 0.00 O ATOM 1001 CB LYS A 64 -5.414 6.970 -4.081 1.00 0.00 C ATOM 1002 CG LYS A 64 -4.595 7.404 -2.874 1.00 0.00 C ATOM 1003 CD LYS A 64 -3.100 7.304 -3.142 1.00 0.00 C ATOM 1004 CE LYS A 64 -2.287 7.828 -1.971 1.00 0.00 C ATOM 1005 NZ LYS A 64 -0.823 7.747 -2.228 1.00 0.00 N ATOM 0 H LYS A 64 -6.522 5.815 -2.199 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.368 5.258 -4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.873 7.236 -4.989 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.350 7.529 -4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.850 8.431 -2.612 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.853 6.783 -2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.833 6.265 -3.335 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.852 7.869 -4.040 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.563 8.863 -1.772 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.530 7.256 -1.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.305 8.114 -1.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.554 6.756 -2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.586 8.314 -3.067 1.00 0.00 H new ATOM 1019 N ALA A 65 -3.938 4.133 -3.162 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.710 3.344 -3.182 1.00 0.00 C ATOM 1021 C ALA A 65 -2.874 2.089 -4.033 1.00 0.00 C ATOM 1022 O ALA A 65 -1.928 1.640 -4.681 1.00 0.00 O ATOM 1023 CB ALA A 65 -2.299 2.972 -1.765 1.00 0.00 C ATOM 0 H ALA A 65 -4.359 4.235 -2.238 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.925 3.953 -3.630 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.382 2.384 -1.795 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.130 3.879 -1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.091 2.386 -1.298 1.00 0.00 H new ATOM 1029 N ILE A 66 -4.079 1.527 -4.026 1.00 0.00 N ATOM 1030 CA ILE A 66 -4.366 0.323 -4.797 1.00 0.00 C ATOM 1031 C ILE A 66 -4.352 0.608 -6.296 1.00 0.00 C ATOM 1032 O ILE A 66 -3.877 -0.209 -7.082 1.00 0.00 O ATOM 1033 CB ILE A 66 -5.735 -0.281 -4.404 1.00 0.00 C ATOM 1034 CG1 ILE A 66 -5.670 -0.872 -2.992 1.00 0.00 C ATOM 1035 CG2 ILE A 66 -6.172 -1.340 -5.410 1.00 0.00 C ATOM 1036 CD1 ILE A 66 -4.705 -2.032 -2.857 1.00 0.00 C ATOM 0 H ILE A 66 -4.872 1.886 -3.495 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.581 -0.397 -4.566 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.477 0.518 -4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.380 -0.087 -2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.666 -1.205 -2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.137 -1.749 -5.111 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.259 -0.889 -6.398 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.432 -2.140 -5.440 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.715 -2.396 -1.830 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.005 -2.835 -3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.699 -1.700 -3.115 1.00 0.00 H new ATOM 1048 N ASN A 67 -4.868 1.769 -6.683 1.00 0.00 N ATOM 1049 CA ASN A 67 -4.923 2.153 -8.091 1.00 0.00 C ATOM 1050 C ASN A 67 -3.527 2.232 -8.705 1.00 0.00 C ATOM 1051 O ASN A 67 -3.309 1.782 -9.830 1.00 0.00 O ATOM 1052 CB ASN A 67 -5.636 3.497 -8.248 1.00 0.00 C ATOM 1053 CG ASN A 67 -5.803 3.896 -9.701 1.00 0.00 C ATOM 1054 OD1 ASN A 67 -6.803 3.563 -10.337 1.00 0.00 O ATOM 1055 ND2 ASN A 67 -4.822 4.615 -10.235 1.00 0.00 N ATOM 0 H ASN A 67 -5.255 2.462 -6.042 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.483 1.383 -8.621 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.616 3.443 -7.774 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.071 4.268 -7.725 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.880 4.913 -11.209 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.011 4.869 -9.671 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.587 2.807 -7.963 1.00 0.00 N ATOM 1063 CA ILE A 68 -1.216 2.951 -8.442 1.00 0.00 C ATOM 1064 C ILE A 68 -0.462 1.624 -8.391 1.00 0.00 C ATOM 1065 O ILE A 68 0.236 1.263 -9.335 1.00 0.00 O ATOM 1066 CB ILE A 68 -0.441 3.996 -7.613 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.203 5.323 -7.587 1.00 0.00 C ATOM 1068 CG2 ILE A 68 0.960 4.192 -8.183 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.617 6.342 -6.631 1.00 0.00 C ATOM 0 H ILE A 68 -2.749 3.181 -7.028 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.281 3.285 -9.477 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.348 3.632 -6.590 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.215 5.745 -8.592 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.240 5.131 -7.310 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.495 4.932 -7.588 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.500 3.245 -8.155 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.888 4.539 -9.214 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.209 7.257 -6.666 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.630 5.940 -5.618 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.410 6.563 -6.920 1.00 0.00 H new ATOM 1081 N PHE A 69 -0.615 0.905 -7.285 1.00 0.00 N ATOM 1082 CA PHE A 69 0.065 -0.373 -7.097 1.00 0.00 C ATOM 1083 C PHE A 69 -0.321 -1.394 -8.163 1.00 0.00 C ATOM 1084 O PHE A 69 0.539 -2.064 -8.734 1.00 0.00 O ATOM 1085 CB PHE A 69 -0.258 -0.935 -5.710 1.00 0.00 C ATOM 1086 CG PHE A 69 0.426 -2.239 -5.413 1.00 0.00 C ATOM 1087 CD1 PHE A 69 1.755 -2.266 -5.025 1.00 0.00 C ATOM 1088 CD2 PHE A 69 -0.263 -3.437 -5.517 1.00 0.00 C ATOM 1089 CE1 PHE A 69 2.386 -3.465 -4.747 1.00 0.00 C ATOM 1090 CE2 PHE A 69 0.361 -4.638 -5.242 1.00 0.00 C ATOM 1091 CZ PHE A 69 1.688 -4.652 -4.857 1.00 0.00 C ATOM 0 H PHE A 69 -1.206 1.186 -6.502 1.00 0.00 H new ATOM 0 HA PHE A 69 1.135 -0.188 -7.187 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.030 -0.203 -4.955 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.336 -1.073 -5.625 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.305 -1.341 -4.938 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.301 -3.431 -5.817 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.423 -3.473 -4.444 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.187 -5.565 -5.328 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.179 -5.590 -4.642 1.00 0.00 H new ATOM 1101 N GLN A 70 -1.616 -1.510 -8.427 1.00 0.00 N ATOM 1102 CA GLN A 70 -2.113 -2.473 -9.402 1.00 0.00 C ATOM 1103 C GLN A 70 -1.587 -2.198 -10.813 1.00 0.00 C ATOM 1104 O GLN A 70 -0.931 -3.045 -11.417 1.00 0.00 O ATOM 1105 CB GLN A 70 -3.652 -2.495 -9.392 1.00 0.00 C ATOM 1106 CG GLN A 70 -4.314 -1.206 -9.855 1.00 0.00 C ATOM 1107 CD GLN A 70 -5.827 -1.273 -9.787 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -6.430 -0.942 -8.765 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -6.451 -1.703 -10.878 1.00 0.00 N ATOM 0 H GLN A 70 -2.341 -0.949 -7.980 1.00 0.00 H new ATOM 0 HA GLN A 70 -1.739 -3.454 -9.109 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -3.993 -3.311 -10.029 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.991 -2.717 -8.380 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.962 -0.379 -9.238 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.009 -0.992 -10.879 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.912 -1.967 -11.703 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.469 -1.769 -10.891 1.00 0.00 H new ATOM 1118 N LYS A 71 -1.848 -1.004 -11.315 1.00 0.00 N ATOM 1119 CA LYS A 71 -1.444 -0.624 -12.663 1.00 0.00 C ATOM 1120 C LYS A 71 0.075 -0.568 -12.832 1.00 0.00 C ATOM 1121 O LYS A 71 0.565 -0.414 -13.950 1.00 0.00 O ATOM 1122 CB LYS A 71 -2.055 0.734 -13.014 1.00 0.00 C ATOM 1123 CG LYS A 71 -1.893 1.128 -14.469 1.00 0.00 C ATOM 1124 CD LYS A 71 -2.549 2.468 -14.748 1.00 0.00 C ATOM 1125 CE LYS A 71 -2.558 2.783 -16.232 1.00 0.00 C ATOM 1126 NZ LYS A 71 -1.181 2.886 -16.786 1.00 0.00 N ATOM 0 H LYS A 71 -2.343 -0.272 -10.806 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.811 -1.394 -13.342 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.117 0.717 -12.769 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.596 1.499 -12.388 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.833 1.179 -14.719 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.335 0.363 -15.108 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.571 2.460 -14.370 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.017 3.254 -14.211 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.106 2.006 -16.765 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.088 3.720 -16.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.228 3.201 -17.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.633 3.573 -16.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.718 1.956 -16.741 1.00 0.00 H new ATOM 1140 N LEU A 72 0.826 -0.698 -11.741 1.00 0.00 N ATOM 1141 CA LEU A 72 2.281 -0.594 -11.838 1.00 0.00 C ATOM 1142 C LEU A 72 3.016 -1.931 -11.879 1.00 0.00 C ATOM 1143 O LEU A 72 3.957 -2.088 -12.658 1.00 0.00 O ATOM 1144 CB LEU A 72 2.796 0.173 -10.627 1.00 0.00 C ATOM 1145 CG LEU A 72 3.268 1.600 -10.894 1.00 0.00 C ATOM 1146 CD1 LEU A 72 4.489 1.600 -11.802 1.00 0.00 C ATOM 1147 CD2 LEU A 72 2.148 2.436 -11.500 1.00 0.00 C ATOM 0 H LEU A 72 0.465 -0.871 -10.803 1.00 0.00 H new ATOM 0 HA LEU A 72 2.480 -0.091 -12.784 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.004 0.207 -9.879 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.623 -0.387 -10.191 1.00 0.00 H new ATOM 0 HG LEU A 72 3.549 2.049 -9.941 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.810 2.626 -11.980 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.297 1.045 -11.325 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.236 1.129 -12.752 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.507 3.449 -11.682 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.830 1.990 -12.442 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.304 2.469 -10.811 1.00 0.00 H new ATOM 1159 N ASN A 73 2.609 -2.892 -11.060 1.00 0.00 N ATOM 1160 CA ASN A 73 3.311 -4.175 -11.041 1.00 0.00 C ATOM 1161 C ASN A 73 2.419 -5.396 -11.259 1.00 0.00 C ATOM 1162 O ASN A 73 2.699 -6.228 -12.121 1.00 0.00 O ATOM 1163 CB ASN A 73 4.070 -4.328 -9.722 1.00 0.00 C ATOM 1164 CG ASN A 73 3.170 -4.171 -8.513 1.00 0.00 C ATOM 1165 OD1 ASN A 73 2.607 -5.144 -8.013 1.00 0.00 O ATOM 1166 ND2 ASN A 73 3.028 -2.940 -8.036 1.00 0.00 N ATOM 0 H ASN A 73 1.821 -2.816 -10.417 1.00 0.00 H new ATOM 0 HA ASN A 73 3.993 -4.148 -11.891 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.546 -5.308 -9.692 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.867 -3.585 -9.677 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.434 -2.773 -7.224 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.513 -2.161 -8.481 1.00 0.00 H new ATOM 1173 N TYR A 74 1.348 -5.500 -10.480 1.00 0.00 N ATOM 1174 CA TYR A 74 0.474 -6.674 -10.555 1.00 0.00 C ATOM 1175 C TYR A 74 -1.011 -6.332 -10.484 1.00 0.00 C ATOM 1176 O TYR A 74 -1.697 -6.726 -9.540 1.00 0.00 O ATOM 1177 CB TYR A 74 0.836 -7.668 -9.452 1.00 0.00 C ATOM 1178 CG TYR A 74 2.099 -8.452 -9.731 1.00 0.00 C ATOM 1179 CD1 TYR A 74 2.106 -9.478 -10.668 1.00 0.00 C ATOM 1180 CD2 TYR A 74 3.281 -8.169 -9.059 1.00 0.00 C ATOM 1181 CE1 TYR A 74 3.256 -10.199 -10.928 1.00 0.00 C ATOM 1182 CE2 TYR A 74 4.436 -8.885 -9.313 1.00 0.00 C ATOM 1183 CZ TYR A 74 4.417 -9.898 -10.249 1.00 0.00 C ATOM 1184 OH TYR A 74 5.564 -10.613 -10.507 1.00 0.00 O ATOM 0 H TYR A 74 1.063 -4.798 -9.797 1.00 0.00 H new ATOM 0 HA TYR A 74 0.642 -7.122 -11.534 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.954 -7.128 -8.513 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.009 -8.365 -9.317 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.198 -9.716 -11.202 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.298 -7.376 -8.326 1.00 0.00 H new ATOM 0 HE1 TYR A 74 3.245 -10.994 -11.659 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.347 -8.653 -8.782 1.00 0.00 H new ATOM 0 HH TYR A 74 6.293 -10.275 -9.946 1.00 0.00 H new ATOM 1194 N MET A 75 -1.501 -5.587 -11.466 1.00 0.00 N ATOM 1195 CA MET A 75 -2.912 -5.206 -11.508 1.00 0.00 C ATOM 1196 C MET A 75 -3.829 -6.427 -11.370 1.00 0.00 C ATOM 1197 O MET A 75 -5.032 -6.286 -11.147 1.00 0.00 O ATOM 1198 CB MET A 75 -3.215 -4.472 -12.818 1.00 0.00 C ATOM 1199 CG MET A 75 -4.640 -3.950 -12.918 1.00 0.00 C ATOM 1200 SD MET A 75 -4.967 -3.111 -14.481 1.00 0.00 S ATOM 1201 CE MET A 75 -4.731 -4.453 -15.643 1.00 0.00 C ATOM 0 H MET A 75 -0.945 -5.233 -12.245 1.00 0.00 H new ATOM 0 HA MET A 75 -3.106 -4.544 -10.664 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.524 -3.635 -12.922 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.027 -5.147 -13.653 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.336 -4.781 -12.804 1.00 0.00 H new ATOM 0 HG3 MET A 75 -4.829 -3.261 -12.094 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.530 -4.437 -16.384 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.769 -4.337 -16.143 1.00 0.00 H new ATOM 0 HE3 MET A 75 -4.750 -5.404 -15.110 1.00 0.00 H new ATOM 1211 N HIS A 76 -3.256 -7.622 -11.492 1.00 0.00 N ATOM 1212 CA HIS A 76 -4.030 -8.856 -11.386 1.00 0.00 C ATOM 1213 C HIS A 76 -4.293 -9.245 -9.928 1.00 0.00 C ATOM 1214 O HIS A 76 -5.436 -9.492 -9.544 1.00 0.00 O ATOM 1215 CB HIS A 76 -3.300 -9.995 -12.100 1.00 0.00 C ATOM 1216 CG HIS A 76 -4.089 -11.264 -12.167 1.00 0.00 C ATOM 1217 ND1 HIS A 76 -4.897 -11.609 -13.227 1.00 0.00 N ATOM 1218 CD2 HIS A 76 -4.184 -12.285 -11.278 1.00 0.00 C ATOM 1219 CE1 HIS A 76 -5.446 -12.800 -12.957 1.00 0.00 C ATOM 1220 NE2 HIS A 76 -5.046 -13.255 -11.784 1.00 0.00 N ATOM 0 H HIS A 76 -2.260 -7.762 -11.664 1.00 0.00 H new ATOM 0 HA HIS A 76 -4.994 -8.679 -11.862 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -3.052 -9.678 -13.113 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -2.358 -10.189 -11.587 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.672 -12.337 -10.328 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -6.127 -13.321 -13.613 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.313 -14.134 -11.341 1.00 0.00 H new ATOM 1228 N ILE A 77 -3.233 -9.299 -9.121 1.00 0.00 N ATOM 1229 CA ILE A 77 -3.364 -9.678 -7.713 1.00 0.00 C ATOM 1230 C ILE A 77 -4.042 -8.585 -6.889 1.00 0.00 C ATOM 1231 O ILE A 77 -4.836 -8.876 -5.995 1.00 0.00 O ATOM 1232 CB ILE A 77 -1.993 -10.011 -7.079 1.00 0.00 C ATOM 1233 CG1 ILE A 77 -2.184 -10.659 -5.704 1.00 0.00 C ATOM 1234 CG2 ILE A 77 -1.138 -8.757 -6.961 1.00 0.00 C ATOM 1235 CD1 ILE A 77 -0.894 -11.133 -5.068 1.00 0.00 C ATOM 0 H ILE A 77 -2.280 -9.087 -9.415 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.989 -10.571 -7.698 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.477 -10.718 -7.728 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.665 -9.942 -5.038 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.862 -11.506 -5.803 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.178 -9.012 -6.513 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.975 -8.333 -7.952 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.648 -8.026 -6.334 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.110 -11.580 -4.098 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.422 -11.875 -5.712 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.221 -10.286 -4.936 1.00 0.00 H new ATOM 1247 N ALA A 78 -3.725 -7.331 -7.194 1.00 0.00 N ATOM 1248 CA ALA A 78 -4.301 -6.201 -6.474 1.00 0.00 C ATOM 1249 C ALA A 78 -5.825 -6.223 -6.542 1.00 0.00 C ATOM 1250 O ALA A 78 -6.502 -5.766 -5.621 1.00 0.00 O ATOM 1251 CB ALA A 78 -3.759 -4.891 -7.022 1.00 0.00 C ATOM 0 H ALA A 78 -3.073 -7.072 -7.934 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.013 -6.286 -5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.199 -4.058 -6.474 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.675 -4.869 -6.907 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.014 -4.805 -8.078 1.00 0.00 H new ATOM 1257 N ASN A 79 -6.357 -6.751 -7.641 1.00 0.00 N ATOM 1258 CA ASN A 79 -7.803 -6.836 -7.827 1.00 0.00 C ATOM 1259 C ASN A 79 -8.456 -7.598 -6.676 1.00 0.00 C ATOM 1260 O ASN A 79 -9.531 -7.231 -6.206 1.00 0.00 O ATOM 1261 CB ASN A 79 -8.125 -7.522 -9.156 1.00 0.00 C ATOM 1262 CG ASN A 79 -9.617 -7.641 -9.405 1.00 0.00 C ATOM 1263 OD1 ASN A 79 -10.377 -6.646 -8.959 1.00 0.00 O flip ATOM 1264 ND2 ASN A 79 -10.082 -8.614 -10.000 1.00 0.00 N flip ATOM 0 H ASN A 79 -5.809 -7.126 -8.416 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.204 -5.823 -7.841 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.668 -6.960 -9.971 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.678 -8.516 -9.165 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -9.463 -9.356 -10.326 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -11.086 -8.678 -10.167 1.00 0.00 H new ATOM 1271 N ALA A 80 -7.808 -8.672 -6.240 1.00 0.00 N ATOM 1272 CA ALA A 80 -8.321 -9.482 -5.141 1.00 0.00 C ATOM 1273 C ALA A 80 -8.166 -8.768 -3.799 1.00 0.00 C ATOM 1274 O ALA A 80 -8.988 -8.936 -2.898 1.00 0.00 O ATOM 1275 CB ALA A 80 -7.617 -10.831 -5.107 1.00 0.00 C ATOM 0 H ALA A 80 -6.926 -9.002 -6.631 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.386 -9.641 -5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.009 -11.426 -4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.790 -11.356 -6.047 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.547 -10.679 -4.968 1.00 0.00 H new ATOM 1281 N LEU A 81 -7.109 -7.970 -3.677 1.00 0.00 N ATOM 1282 CA LEU A 81 -6.830 -7.242 -2.439 1.00 0.00 C ATOM 1283 C LEU A 81 -7.840 -6.122 -2.192 1.00 0.00 C ATOM 1284 O LEU A 81 -8.345 -5.971 -1.080 1.00 0.00 O ATOM 1285 CB LEU A 81 -5.414 -6.660 -2.477 1.00 0.00 C ATOM 1286 CG LEU A 81 -4.302 -7.668 -2.779 1.00 0.00 C ATOM 1287 CD1 LEU A 81 -2.966 -6.955 -2.926 1.00 0.00 C ATOM 1288 CD2 LEU A 81 -4.228 -8.722 -1.684 1.00 0.00 C ATOM 0 H LEU A 81 -6.429 -7.810 -4.421 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.915 -7.954 -1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.382 -5.872 -3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.206 -6.191 -1.516 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.532 -8.167 -3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.186 -7.685 -3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.025 -6.236 -3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.729 -6.432 -2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.432 -9.431 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.020 -8.240 -0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.179 -9.251 -1.624 1.00 0.00 H new ATOM 1300 N GLU A 82 -8.125 -5.335 -3.227 1.00 0.00 N ATOM 1301 CA GLU A 82 -9.064 -4.220 -3.108 1.00 0.00 C ATOM 1302 C GLU A 82 -10.427 -4.686 -2.599 1.00 0.00 C ATOM 1303 O GLU A 82 -11.174 -3.907 -2.007 1.00 0.00 O ATOM 1304 CB GLU A 82 -9.225 -3.504 -4.452 1.00 0.00 C ATOM 1305 CG GLU A 82 -9.873 -4.358 -5.529 1.00 0.00 C ATOM 1306 CD GLU A 82 -10.161 -3.576 -6.796 1.00 0.00 C ATOM 1307 OE1 GLU A 82 -11.253 -2.975 -6.887 1.00 0.00 O ATOM 1308 OE2 GLU A 82 -9.296 -3.565 -7.697 1.00 0.00 O ATOM 0 H GLU A 82 -7.720 -5.448 -4.156 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.651 -3.522 -2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.824 -2.605 -4.305 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.244 -3.180 -4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.219 -5.197 -5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.803 -4.777 -5.145 1.00 0.00 H new ATOM 1315 N GLU A 83 -10.748 -5.954 -2.836 1.00 0.00 N ATOM 1316 CA GLU A 83 -12.025 -6.517 -2.405 1.00 0.00 C ATOM 1317 C GLU A 83 -12.222 -6.362 -0.899 1.00 0.00 C ATOM 1318 O GLU A 83 -13.346 -6.190 -0.427 1.00 0.00 O ATOM 1319 CB GLU A 83 -12.107 -7.996 -2.788 1.00 0.00 C ATOM 1320 CG GLU A 83 -11.895 -8.253 -4.271 1.00 0.00 C ATOM 1321 CD GLU A 83 -12.126 -9.703 -4.651 1.00 0.00 C ATOM 1322 OE1 GLU A 83 -11.240 -10.538 -4.372 1.00 0.00 O ATOM 1323 OE2 GLU A 83 -13.194 -10.004 -5.226 1.00 0.00 O ATOM 0 H GLU A 83 -10.141 -6.613 -3.325 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.818 -5.967 -2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.360 -8.551 -2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.083 -8.385 -2.496 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.570 -7.619 -4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.879 -7.967 -4.544 1.00 0.00 H new ATOM 1330 N LYS A 84 -11.124 -6.427 -0.152 1.00 0.00 N ATOM 1331 CA LYS A 84 -11.173 -6.298 1.302 1.00 0.00 C ATOM 1332 C LYS A 84 -11.829 -4.985 1.721 1.00 0.00 C ATOM 1333 O LYS A 84 -12.440 -4.902 2.787 1.00 0.00 O ATOM 1334 CB LYS A 84 -9.766 -6.390 1.894 1.00 0.00 C ATOM 1335 CG LYS A 84 -9.744 -6.379 3.415 1.00 0.00 C ATOM 1336 CD LYS A 84 -8.365 -6.717 3.962 1.00 0.00 C ATOM 1337 CE LYS A 84 -7.431 -5.517 3.928 1.00 0.00 C ATOM 1338 NZ LYS A 84 -7.063 -5.133 2.536 1.00 0.00 N ATOM 0 H LYS A 84 -10.187 -6.569 -0.530 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.777 -7.119 1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.290 -7.304 1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.170 -5.556 1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.047 -5.396 3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.472 -7.097 3.794 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.459 -7.075 4.987 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.933 -7.530 3.379 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.909 -4.672 4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.527 -5.746 4.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.093 -4.757 2.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.118 -5.969 1.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.721 -4.405 2.191 1.00 0.00 H new ATOM 1352 N LYS A 85 -11.696 -3.963 0.881 1.00 0.00 N ATOM 1353 CA LYS A 85 -12.273 -2.652 1.167 1.00 0.00 C ATOM 1354 C LYS A 85 -13.755 -2.771 1.515 1.00 0.00 C ATOM 1355 O LYS A 85 -14.265 -2.029 2.356 1.00 0.00 O ATOM 1356 CB LYS A 85 -12.090 -1.720 -0.033 1.00 0.00 C ATOM 1357 CG LYS A 85 -12.602 -0.307 0.202 1.00 0.00 C ATOM 1358 CD LYS A 85 -12.471 0.545 -1.050 1.00 0.00 C ATOM 1359 CE LYS A 85 -12.932 1.973 -0.805 1.00 0.00 C ATOM 1360 NZ LYS A 85 -12.846 2.802 -2.038 1.00 0.00 N ATOM 0 H LYS A 85 -11.193 -4.017 -0.005 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.751 -2.233 2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.031 -1.675 -0.288 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.607 -2.145 -0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -13.646 -0.344 0.512 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.044 0.153 1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -11.433 0.549 -1.381 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.060 0.104 -1.854 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.960 1.966 -0.443 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.322 2.422 -0.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.169 3.768 -1.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.861 2.830 -2.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -13.448 2.388 -2.778 1.00 0.00 H new ATOM 1374 N LYS A 86 -14.441 -3.709 0.866 1.00 0.00 N ATOM 1375 CA LYS A 86 -15.864 -3.926 1.111 1.00 0.00 C ATOM 1376 C LYS A 86 -16.129 -4.181 2.591 1.00 0.00 C ATOM 1377 O LYS A 86 -17.017 -3.569 3.186 1.00 0.00 O ATOM 1378 CB LYS A 86 -16.377 -5.107 0.282 1.00 0.00 C ATOM 1379 CG LYS A 86 -16.204 -4.925 -1.217 1.00 0.00 C ATOM 1380 CD LYS A 86 -16.861 -6.052 -2.003 1.00 0.00 C ATOM 1381 CE LYS A 86 -16.030 -7.328 -1.973 1.00 0.00 C ATOM 1382 NZ LYS A 86 -16.029 -7.970 -0.628 1.00 0.00 N ATOM 0 H LYS A 86 -14.034 -4.330 0.167 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.397 -3.023 0.812 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.853 -6.011 0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.434 -5.260 0.500 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -16.636 -3.971 -1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.142 -4.885 -1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -17.850 -6.253 -1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.005 -5.737 -3.037 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -16.421 -8.031 -2.709 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.005 -7.099 -2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.027 -9.004 -0.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.181 -7.675 -0.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.879 -7.679 -0.104 1.00 0.00 H new ATOM 1396 N GLU A 87 -15.356 -5.088 3.180 1.00 0.00 N ATOM 1397 CA GLU A 87 -15.510 -5.423 4.592 1.00 0.00 C ATOM 1398 C GLU A 87 -15.018 -4.282 5.475 1.00 0.00 C ATOM 1399 O GLU A 87 -15.511 -4.086 6.584 1.00 0.00 O ATOM 1400 CB GLU A 87 -14.745 -6.707 4.922 1.00 0.00 C ATOM 1401 CG GLU A 87 -14.880 -7.141 6.373 1.00 0.00 C ATOM 1402 CD GLU A 87 -14.097 -8.403 6.679 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -12.889 -8.294 6.976 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -14.692 -9.499 6.623 1.00 0.00 O ATOM 0 H GLU A 87 -14.617 -5.604 2.702 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.570 -5.582 4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.103 -7.509 4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.690 -6.560 4.692 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.534 -6.337 7.023 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.933 -7.306 6.603 1.00 0.00 H new ATOM 1411 N ALA A 88 -14.044 -3.530 4.973 1.00 0.00 N ATOM 1412 CA ALA A 88 -13.481 -2.406 5.712 1.00 0.00 C ATOM 1413 C ALA A 88 -14.542 -1.356 6.019 1.00 0.00 C ATOM 1414 O ALA A 88 -14.444 -0.631 7.009 1.00 0.00 O ATOM 1415 CB ALA A 88 -12.340 -1.782 4.927 1.00 0.00 C ATOM 0 H ALA A 88 -13.627 -3.680 4.054 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.099 -2.785 6.660 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -11.928 -0.944 5.489 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.561 -2.527 4.763 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.711 -1.427 3.966 1.00 0.00 H new ATOM 1421 N GLU A 89 -15.551 -1.276 5.158 1.00 0.00 N ATOM 1422 CA GLU A 89 -16.630 -0.307 5.321 1.00 0.00 C ATOM 1423 C GLU A 89 -17.234 -0.373 6.723 1.00 0.00 C ATOM 1424 O GLU A 89 -17.337 0.643 7.410 1.00 0.00 O ATOM 1425 CB GLU A 89 -17.717 -0.553 4.274 1.00 0.00 C ATOM 1426 CG GLU A 89 -18.484 0.699 3.884 1.00 0.00 C ATOM 1427 CD GLU A 89 -19.275 1.286 5.038 1.00 0.00 C ATOM 1428 OE1 GLU A 89 -20.396 0.799 5.299 1.00 0.00 O ATOM 1429 OE2 GLU A 89 -18.774 2.232 5.680 1.00 0.00 O ATOM 0 H GLU A 89 -15.644 -1.873 4.336 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.209 0.689 5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -17.260 -0.981 3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -18.419 -1.293 4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.784 1.447 3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -19.164 0.463 3.066 1.00 0.00 H new ATOM 1436 N ARG A 90 -17.630 -1.571 7.143 1.00 0.00 N ATOM 1437 CA ARG A 90 -18.228 -1.756 8.462 1.00 0.00 C ATOM 1438 C ARG A 90 -17.185 -1.623 9.568 1.00 0.00 C ATOM 1439 O ARG A 90 -17.523 -1.353 10.721 1.00 0.00 O ATOM 1440 CB ARG A 90 -18.917 -3.121 8.553 1.00 0.00 C ATOM 1441 CG ARG A 90 -17.981 -4.295 8.321 1.00 0.00 C ATOM 1442 CD ARG A 90 -18.717 -5.621 8.416 1.00 0.00 C ATOM 1443 NE ARG A 90 -19.779 -5.731 7.420 1.00 0.00 N ATOM 1444 CZ ARG A 90 -20.581 -6.785 7.310 1.00 0.00 C ATOM 1445 NH1 ARG A 90 -20.445 -7.813 8.137 1.00 0.00 N ATOM 1446 NH2 ARG A 90 -21.521 -6.812 6.374 1.00 0.00 N ATOM 0 H ARG A 90 -17.548 -2.425 6.592 1.00 0.00 H new ATOM 0 HA ARG A 90 -18.973 -0.972 8.600 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -19.375 -3.222 9.537 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -19.723 -3.161 7.821 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -17.518 -4.204 7.338 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -17.176 -4.271 9.056 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -18.009 -6.439 8.282 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -19.143 -5.728 9.413 1.00 0.00 H new ATOM 0 HE ARG A 90 -19.913 -4.955 6.772 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -19.724 -7.795 8.859 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -21.061 -8.621 8.051 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -21.629 -6.023 5.737 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -22.135 -7.622 6.291 1.00 0.00 H new ATOM 1460 N LYS A 91 -15.916 -1.813 9.214 1.00 0.00 N ATOM 1461 CA LYS A 91 -14.832 -1.710 10.186 1.00 0.00 C ATOM 1462 C LYS A 91 -14.623 -0.261 10.614 1.00 0.00 C ATOM 1463 O LYS A 91 -14.282 0.014 11.765 1.00 0.00 O ATOM 1464 CB LYS A 91 -13.535 -2.277 9.606 1.00 0.00 C ATOM 1465 CG LYS A 91 -13.637 -3.737 9.197 1.00 0.00 C ATOM 1466 CD LYS A 91 -12.277 -4.323 8.852 1.00 0.00 C ATOM 1467 CE LYS A 91 -11.419 -4.513 10.094 1.00 0.00 C ATOM 1468 NZ LYS A 91 -12.057 -5.435 11.074 1.00 0.00 N ATOM 0 H LYS A 91 -15.615 -2.038 8.266 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.110 -2.294 11.063 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.246 -1.685 8.738 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.740 -2.170 10.344 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -14.085 -4.311 10.008 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.301 -3.828 8.337 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.410 -5.282 8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.763 -3.665 8.151 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.445 -4.908 9.805 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.244 -3.546 10.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.334 -5.805 11.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.779 -4.919 11.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.504 -6.225 10.567 1.00 0.00 H new ATOM 1482 N LEU A 92 -14.829 0.662 9.679 1.00 0.00 N ATOM 1483 CA LEU A 92 -14.669 2.086 9.958 1.00 0.00 C ATOM 1484 C LEU A 92 -15.988 2.698 10.418 1.00 0.00 C ATOM 1485 O LEU A 92 -16.071 3.900 10.669 1.00 0.00 O ATOM 1486 CB LEU A 92 -14.162 2.819 8.714 1.00 0.00 C ATOM 1487 CG LEU A 92 -12.752 2.436 8.259 1.00 0.00 C ATOM 1488 CD1 LEU A 92 -12.434 3.082 6.919 1.00 0.00 C ATOM 1489 CD2 LEU A 92 -11.722 2.846 9.303 1.00 0.00 C ATOM 0 H LEU A 92 -15.107 0.449 8.721 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.937 2.194 10.758 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.855 2.630 7.894 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.184 3.891 8.910 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.711 1.353 8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.428 2.800 6.609 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.152 2.743 6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.494 4.166 7.014 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.726 2.565 8.961 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.764 3.925 9.451 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -11.938 2.342 10.245 1.00 0.00 H new