USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 SER OG : rot -98:sc= -0.396! USER MOD Set 1.2: A 5 SER OG : rot -145:sc= 0.0776 USER MOD Single : A 1 ARG N :NH3+ -167:sc= 0 (180deg=-0.163) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 8 MET CE :methyl -145:sc= -2.31! (180deg=-4.98!) USER MOD Single : A 14 LYS NZ :NH3+ -118:sc= -0.179 (180deg=-1.53!) USER MOD Single : A 15 LYS NZ :NH3+ -99:sc= -0.144 (180deg=-1.51) USER MOD Single : A 16 TYR OH : rot 108:sc= -0.999 USER MOD Single : A 19 SER OG : rot 61:sc= -0.3 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.664) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc=-0.000431 (180deg=-0.218) USER MOD Single : A 36 LYS NZ :NH3+ -100:sc= -0.708 (180deg=-1.64!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc=-0.00339 X(o=-0.0034,f=-0.0007) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0779 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 51 HIS : no HD1:sc= -0.0305 X(o=-0.03,f=-0.17) USER MOD Single : A 52 TYR OH : rot 70:sc= -1.13 USER MOD Single : A 54 ASN : amide:sc= -0.0519 K(o=-0.052,f=-1.2) USER MOD Single : A 55 SER OG : rot 74:sc= 0.199 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS :FLIP no HD1:sc= -6.44! C(o=-9.1!,f=-6.4!) USER MOD Single : A 68 THR OG1 : rot 91:sc= -3.46! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.404 K(o=-0.4,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.452 -15.937 3.275 1.00 0.00 N ATOM 2 CA ARG A 1 2.823 -14.596 3.694 1.00 0.00 C ATOM 3 C ARG A 1 2.262 -13.561 2.715 1.00 0.00 C ATOM 4 O ARG A 1 1.748 -12.523 3.130 1.00 0.00 O ATOM 5 CB ARG A 1 4.342 -14.444 3.771 1.00 0.00 C ATOM 6 CG ARG A 1 4.730 -13.060 4.295 1.00 0.00 C ATOM 7 CD ARG A 1 6.048 -12.588 3.678 1.00 0.00 C ATOM 8 NE ARG A 1 6.986 -12.172 4.745 1.00 0.00 N ATOM 9 CZ ARG A 1 8.022 -11.344 4.553 1.00 0.00 C ATOM 10 NH1 ARG A 1 8.261 -10.840 3.335 1.00 0.00 N ATOM 11 NH2 ARG A 1 8.820 -11.022 5.580 1.00 0.00 N ATOM 0 H1 ARG A 1 2.642 -16.607 4.047 1.00 0.00 H new ATOM 0 H2 ARG A 1 1.440 -15.959 3.038 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.009 -16.206 2.439 1.00 0.00 H new ATOM 0 HA ARG A 1 2.402 -14.429 4.686 1.00 0.00 H new ATOM 0 HB2 ARG A 1 4.755 -15.213 4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 1 4.777 -14.598 2.783 1.00 0.00 H new ATOM 0 HG2 ARG A 1 3.940 -12.345 4.064 1.00 0.00 H new ATOM 0 HG3 ARG A 1 4.824 -13.092 5.381 1.00 0.00 H new ATOM 0 HD2 ARG A 1 6.490 -13.390 3.086 1.00 0.00 H new ATOM 0 HD3 ARG A 1 5.864 -11.755 2.999 1.00 0.00 H new ATOM 0 HE ARG A 1 6.834 -12.538 5.685 1.00 0.00 H new ATOM 0 HH11 ARG A 1 7.654 -11.086 2.553 1.00 0.00 H new ATOM 0 HH12 ARG A 1 9.050 -10.210 3.190 1.00 0.00 H new ATOM 0 HH21 ARG A 1 8.639 -11.407 6.507 1.00 0.00 H new ATOM 0 HH22 ARG A 1 9.609 -10.392 5.435 1.00 0.00 H new ATOM 25 N SER A 2 2.381 -13.881 1.434 1.00 0.00 N ATOM 26 CA SER A 2 1.893 -12.991 0.393 1.00 0.00 C ATOM 27 C SER A 2 2.514 -13.370 -0.952 1.00 0.00 C ATOM 28 O SER A 2 3.379 -14.242 -1.017 1.00 0.00 O ATOM 29 CB SER A 2 2.201 -11.530 0.728 1.00 0.00 C ATOM 30 OG SER A 2 3.340 -11.406 1.576 1.00 0.00 O ATOM 0 H SER A 2 2.808 -14.743 1.094 1.00 0.00 H new ATOM 0 HA SER A 2 0.810 -13.100 0.329 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.373 -10.975 -0.194 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.336 -11.079 1.214 1.00 0.00 H new ATOM 0 HG SER A 2 3.046 -11.300 2.505 1.00 0.00 H new ATOM 36 N ALA A 3 2.048 -12.696 -1.993 1.00 0.00 N ATOM 37 CA ALA A 3 2.547 -12.951 -3.334 1.00 0.00 C ATOM 38 C ALA A 3 2.897 -11.622 -4.006 1.00 0.00 C ATOM 39 O ALA A 3 3.984 -11.468 -4.557 1.00 0.00 O ATOM 40 CB ALA A 3 1.505 -13.747 -4.123 1.00 0.00 C ATOM 0 H ALA A 3 1.330 -11.974 -1.935 1.00 0.00 H new ATOM 0 HA ALA A 3 3.457 -13.550 -3.297 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.879 -13.939 -5.129 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.314 -14.695 -3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.579 -13.175 -4.183 1.00 0.00 H new ATOM 46 N LEU A 4 1.953 -10.695 -3.936 1.00 0.00 N ATOM 47 CA LEU A 4 2.148 -9.383 -4.531 1.00 0.00 C ATOM 48 C LEU A 4 1.831 -8.305 -3.491 1.00 0.00 C ATOM 49 O LEU A 4 0.930 -7.492 -3.690 1.00 0.00 O ATOM 50 CB LEU A 4 1.334 -9.252 -5.819 1.00 0.00 C ATOM 51 CG LEU A 4 -0.097 -9.794 -5.768 1.00 0.00 C ATOM 52 CD1 LEU A 4 -1.080 -8.706 -5.332 1.00 0.00 C ATOM 53 CD2 LEU A 4 -0.493 -10.424 -7.105 1.00 0.00 C ATOM 0 H LEU A 4 1.052 -10.826 -3.477 1.00 0.00 H new ATOM 0 HA LEU A 4 3.189 -9.249 -4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 4 1.292 -8.198 -6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.868 -9.768 -6.617 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.137 -10.583 -5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.089 -9.117 -5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -0.807 -8.346 -4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.045 -7.879 -6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -1.514 -10.801 -7.041 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -0.432 -9.674 -7.893 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.184 -11.247 -7.334 1.00 0.00 H new ATOM 65 N SER A 5 2.590 -8.333 -2.407 1.00 0.00 N ATOM 66 CA SER A 5 2.402 -7.368 -1.335 1.00 0.00 C ATOM 67 C SER A 5 3.269 -6.134 -1.586 1.00 0.00 C ATOM 68 O SER A 5 2.964 -5.047 -1.097 1.00 0.00 O ATOM 69 CB SER A 5 2.734 -7.984 0.025 1.00 0.00 C ATOM 70 OG SER A 5 3.930 -8.758 -0.017 1.00 0.00 O ATOM 0 H SER A 5 3.337 -9.008 -2.246 1.00 0.00 H new ATOM 0 HA SER A 5 1.353 -7.071 -1.321 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.841 -7.191 0.766 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.906 -8.614 0.350 1.00 0.00 H new ATOM 0 HG SER A 5 3.844 -9.526 0.586 1.00 0.00 H new ATOM 76 N CYS A 6 4.334 -6.341 -2.347 1.00 0.00 N ATOM 77 CA CYS A 6 5.247 -5.258 -2.668 1.00 0.00 C ATOM 78 C CYS A 6 4.456 -4.154 -3.372 1.00 0.00 C ATOM 79 O CYS A 6 4.228 -3.089 -2.803 1.00 0.00 O ATOM 80 CB CYS A 6 6.425 -5.744 -3.514 1.00 0.00 C ATOM 81 SG CYS A 6 7.538 -4.420 -4.113 1.00 0.00 S ATOM 0 H CYS A 6 4.585 -7.244 -2.751 1.00 0.00 H new ATOM 0 HA CYS A 6 5.682 -4.862 -1.750 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.009 -6.452 -2.926 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.036 -6.289 -4.374 1.00 0.00 H new ATOM 86 N GLN A 7 4.059 -4.448 -4.602 1.00 0.00 N ATOM 87 CA GLN A 7 3.298 -3.494 -5.390 1.00 0.00 C ATOM 88 C GLN A 7 2.382 -2.668 -4.485 1.00 0.00 C ATOM 89 O GLN A 7 2.373 -1.441 -4.558 1.00 0.00 O ATOM 90 CB GLN A 7 2.495 -4.203 -6.484 1.00 0.00 C ATOM 91 CG GLN A 7 2.843 -3.649 -7.866 1.00 0.00 C ATOM 92 CD GLN A 7 3.629 -4.675 -8.685 1.00 0.00 C ATOM 93 OE1 GLN A 7 4.570 -5.294 -8.215 1.00 0.00 O ATOM 94 NE2 GLN A 7 3.193 -4.820 -9.933 1.00 0.00 N ATOM 0 H GLN A 7 4.250 -5.333 -5.072 1.00 0.00 H new ATOM 0 HA GLN A 7 3.998 -2.817 -5.880 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.700 -5.273 -6.455 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.429 -4.078 -6.296 1.00 0.00 H new ATOM 0 HG2 GLN A 7 1.929 -3.380 -8.395 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.430 -2.737 -7.759 1.00 0.00 H new ATOM 0 HE21 GLN A 7 2.400 -4.270 -10.263 1.00 0.00 H new ATOM 0 HE22 GLN A 7 3.652 -5.481 -10.560 1.00 0.00 H new ATOM 103 N MET A 8 1.632 -3.376 -3.653 1.00 0.00 N ATOM 104 CA MET A 8 0.715 -2.723 -2.734 1.00 0.00 C ATOM 105 C MET A 8 1.385 -1.536 -2.041 1.00 0.00 C ATOM 106 O MET A 8 0.822 -0.443 -1.990 1.00 0.00 O ATOM 107 CB MET A 8 0.244 -3.729 -1.681 1.00 0.00 C ATOM 108 CG MET A 8 -0.275 -5.009 -2.340 1.00 0.00 C ATOM 109 SD MET A 8 -1.486 -5.791 -1.288 1.00 0.00 S ATOM 110 CE MET A 8 -1.886 -7.218 -2.283 1.00 0.00 C ATOM 0 H MET A 8 1.641 -4.394 -3.596 1.00 0.00 H new ATOM 0 HA MET A 8 -0.138 -2.353 -3.304 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.068 -3.970 -1.009 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.544 -3.283 -1.073 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.719 -4.775 -3.308 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.553 -5.693 -2.526 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.942 -7.459 -2.165 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.678 -7.001 -3.331 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.282 -8.067 -1.962 1.00 0.00 H new ATOM 120 N CYS A 9 2.578 -1.790 -1.523 1.00 0.00 N ATOM 121 CA CYS A 9 3.331 -0.755 -0.834 1.00 0.00 C ATOM 122 C CYS A 9 3.448 0.453 -1.765 1.00 0.00 C ATOM 123 O CYS A 9 3.453 1.595 -1.307 1.00 0.00 O ATOM 124 CB CYS A 9 4.702 -1.261 -0.381 1.00 0.00 C ATOM 125 SG CYS A 9 5.998 0.027 -0.275 1.00 0.00 S ATOM 0 H CYS A 9 3.042 -2.697 -1.567 1.00 0.00 H new ATOM 0 HA CYS A 9 2.806 -0.463 0.075 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.595 -1.731 0.597 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.035 -2.035 -1.072 1.00 0.00 H new ATOM 130 N GLU A 10 3.538 0.161 -3.054 1.00 0.00 N ATOM 131 CA GLU A 10 3.655 1.211 -4.052 1.00 0.00 C ATOM 132 C GLU A 10 2.285 1.832 -4.331 1.00 0.00 C ATOM 133 O GLU A 10 2.183 2.819 -5.058 1.00 0.00 O ATOM 134 CB GLU A 10 4.285 0.674 -5.339 1.00 0.00 C ATOM 135 CG GLU A 10 5.520 1.491 -5.726 1.00 0.00 C ATOM 136 CD GLU A 10 6.243 0.860 -6.918 1.00 0.00 C ATOM 137 OE1 GLU A 10 5.532 0.324 -7.795 1.00 0.00 O ATOM 138 OE2 GLU A 10 7.491 0.928 -6.925 1.00 0.00 O ATOM 0 H GLU A 10 3.532 -0.787 -3.430 1.00 0.00 H new ATOM 0 HA GLU A 10 4.312 1.988 -3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.563 -0.371 -5.204 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.554 0.707 -6.147 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.223 2.510 -5.974 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.199 1.555 -4.876 1.00 0.00 H new ATOM 146 N LEU A 11 1.265 1.230 -3.737 1.00 0.00 N ATOM 147 CA LEU A 11 -0.094 1.712 -3.913 1.00 0.00 C ATOM 148 C LEU A 11 -0.430 2.695 -2.789 1.00 0.00 C ATOM 149 O LEU A 11 -1.077 3.715 -3.026 1.00 0.00 O ATOM 150 CB LEU A 11 -1.070 0.538 -4.015 1.00 0.00 C ATOM 151 CG LEU A 11 -2.548 0.906 -4.174 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.798 1.593 -5.518 1.00 0.00 C ATOM 153 CD2 LEU A 11 -3.441 -0.320 -3.982 1.00 0.00 C ATOM 0 H LEU A 11 1.353 0.413 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.187 2.256 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.777 -0.080 -4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.963 -0.076 -3.121 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.810 1.620 -3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.855 1.844 -5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.202 2.504 -5.578 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.515 0.921 -6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.485 -0.031 -4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.187 -1.075 -4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.288 -0.729 -2.983 1.00 0.00 H new ATOM 165 N VAL A 12 0.025 2.356 -1.593 1.00 0.00 N ATOM 166 CA VAL A 12 -0.218 3.197 -0.433 1.00 0.00 C ATOM 167 C VAL A 12 0.645 4.455 -0.530 1.00 0.00 C ATOM 168 O VAL A 12 0.150 5.568 -0.357 1.00 0.00 O ATOM 169 CB VAL A 12 0.025 2.401 0.850 1.00 0.00 C ATOM 170 CG1 VAL A 12 -0.727 1.070 0.822 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.521 2.181 1.083 1.00 0.00 C ATOM 0 H VAL A 12 0.561 1.510 -1.401 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.259 3.520 -0.406 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.362 2.986 1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.536 0.525 1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.796 1.258 0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.385 0.477 -0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.666 1.613 2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.943 1.628 0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.021 3.145 1.170 1.00 0.00 H new ATOM 181 N VAL A 13 1.923 4.238 -0.807 1.00 0.00 N ATOM 182 CA VAL A 13 2.861 5.341 -0.929 1.00 0.00 C ATOM 183 C VAL A 13 2.403 6.272 -2.054 1.00 0.00 C ATOM 184 O VAL A 13 2.136 7.450 -1.819 1.00 0.00 O ATOM 185 CB VAL A 13 4.277 4.802 -1.138 1.00 0.00 C ATOM 186 CG1 VAL A 13 4.733 3.974 0.065 1.00 0.00 C ATOM 187 CG2 VAL A 13 4.370 3.988 -2.430 1.00 0.00 C ATOM 0 H VAL A 13 2.331 3.314 -0.950 1.00 0.00 H new ATOM 0 HA VAL A 13 2.883 5.928 -0.011 1.00 0.00 H new ATOM 0 HB VAL A 13 4.948 5.656 -1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.743 3.603 -0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.725 4.597 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.056 3.131 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.387 3.617 -2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.680 3.146 -2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.109 4.621 -3.278 1.00 0.00 H new ATOM 197 N LYS A 14 2.327 5.709 -3.250 1.00 0.00 N ATOM 198 CA LYS A 14 1.907 6.474 -4.412 1.00 0.00 C ATOM 199 C LYS A 14 0.674 7.305 -4.050 1.00 0.00 C ATOM 200 O LYS A 14 0.476 8.394 -4.588 1.00 0.00 O ATOM 201 CB LYS A 14 1.694 5.551 -5.613 1.00 0.00 C ATOM 202 CG LYS A 14 0.365 4.800 -5.501 1.00 0.00 C ATOM 203 CD LYS A 14 0.064 4.022 -6.782 1.00 0.00 C ATOM 204 CE LYS A 14 -0.582 4.927 -7.835 1.00 0.00 C ATOM 205 NZ LYS A 14 0.451 5.522 -8.711 1.00 0.00 N ATOM 0 H LYS A 14 2.549 4.732 -3.440 1.00 0.00 H new ATOM 0 HA LYS A 14 2.688 7.173 -4.711 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.708 6.136 -6.533 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.515 4.837 -5.677 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.402 4.114 -4.655 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.441 5.507 -5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.986 3.597 -7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.601 3.188 -6.557 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.288 4.351 -8.434 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.150 5.717 -7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.434 6.557 -8.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.388 5.164 -8.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.259 5.263 -9.700 1.00 0.00 H new ATOM 219 N LYS A 15 -0.123 6.761 -3.143 1.00 0.00 N ATOM 220 CA LYS A 15 -1.330 7.439 -2.703 1.00 0.00 C ATOM 221 C LYS A 15 -0.958 8.538 -1.705 1.00 0.00 C ATOM 222 O LYS A 15 -1.499 9.641 -1.760 1.00 0.00 O ATOM 223 CB LYS A 15 -2.343 6.430 -2.157 1.00 0.00 C ATOM 224 CG LYS A 15 -3.077 5.720 -3.296 1.00 0.00 C ATOM 225 CD LYS A 15 -3.813 6.725 -4.186 1.00 0.00 C ATOM 226 CE LYS A 15 -4.882 6.030 -5.031 1.00 0.00 C ATOM 227 NZ LYS A 15 -6.106 6.858 -5.102 1.00 0.00 N ATOM 0 H LYS A 15 0.044 5.857 -2.700 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.822 7.926 -3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.831 5.695 -1.536 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.063 6.941 -1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.364 5.153 -3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.789 5.004 -2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.277 7.493 -3.567 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.100 7.229 -4.838 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.499 5.849 -6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.119 5.057 -4.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.802 6.508 -4.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.869 7.847 -4.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.508 6.802 -6.060 1.00 0.00 H new ATOM 241 N TYR A 16 -0.038 8.197 -0.814 1.00 0.00 N ATOM 242 CA TYR A 16 0.413 9.141 0.194 1.00 0.00 C ATOM 243 C TYR A 16 1.328 10.203 -0.419 1.00 0.00 C ATOM 244 O TYR A 16 0.980 11.382 -0.454 1.00 0.00 O ATOM 245 CB TYR A 16 1.210 8.322 1.211 1.00 0.00 C ATOM 246 CG TYR A 16 1.745 9.141 2.388 1.00 0.00 C ATOM 247 CD1 TYR A 16 1.425 10.479 2.498 1.00 0.00 C ATOM 248 CD2 TYR A 16 2.546 8.542 3.339 1.00 0.00 C ATOM 249 CE1 TYR A 16 1.929 11.250 3.606 1.00 0.00 C ATOM 250 CE2 TYR A 16 3.048 9.313 4.446 1.00 0.00 C ATOM 251 CZ TYR A 16 2.715 10.629 4.525 1.00 0.00 C ATOM 252 OH TYR A 16 3.191 11.357 5.570 1.00 0.00 O ATOM 0 H TYR A 16 0.407 7.280 -0.770 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.435 9.656 0.645 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.576 7.523 1.596 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.048 7.846 0.702 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.797 10.948 1.754 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.796 7.495 3.253 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.688 12.298 3.704 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.675 8.856 5.197 1.00 0.00 H new ATOM 0 HH TYR A 16 2.728 11.092 6.392 1.00 0.00 H new ATOM 262 N GLU A 17 2.482 9.747 -0.885 1.00 0.00 N ATOM 263 CA GLU A 17 3.450 10.643 -1.494 1.00 0.00 C ATOM 264 C GLU A 17 2.747 11.614 -2.446 1.00 0.00 C ATOM 265 O GLU A 17 3.165 12.763 -2.585 1.00 0.00 O ATOM 266 CB GLU A 17 4.542 9.857 -2.221 1.00 0.00 C ATOM 267 CG GLU A 17 5.401 9.069 -1.230 1.00 0.00 C ATOM 268 CD GLU A 17 6.414 9.981 -0.535 1.00 0.00 C ATOM 269 OE1 GLU A 17 6.026 10.584 0.489 1.00 0.00 O ATOM 270 OE2 GLU A 17 7.553 10.055 -1.044 1.00 0.00 O ATOM 0 H GLU A 17 2.768 8.768 -0.853 1.00 0.00 H new ATOM 0 HA GLU A 17 3.929 11.221 -0.704 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.087 9.173 -2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.171 10.542 -2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.761 8.596 -0.485 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.925 8.270 -1.754 1.00 0.00 H new ATOM 278 N GLY A 18 1.694 11.117 -3.077 1.00 0.00 N ATOM 279 CA GLY A 18 0.931 11.926 -4.013 1.00 0.00 C ATOM 280 C GLY A 18 -0.536 12.021 -3.585 1.00 0.00 C ATOM 281 O GLY A 18 -1.432 12.021 -4.428 1.00 0.00 O ATOM 0 H GLY A 18 1.351 10.164 -2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.362 12.925 -4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.995 11.492 -5.011 1.00 0.00 H new ATOM 285 N SER A 19 -0.734 12.099 -2.278 1.00 0.00 N ATOM 286 CA SER A 19 -2.076 12.193 -1.729 1.00 0.00 C ATOM 287 C SER A 19 -2.555 13.645 -1.766 1.00 0.00 C ATOM 288 O SER A 19 -3.695 13.917 -2.143 1.00 0.00 O ATOM 289 CB SER A 19 -2.125 11.655 -0.298 1.00 0.00 C ATOM 290 OG SER A 19 -3.033 10.565 -0.169 1.00 0.00 O ATOM 0 H SER A 19 0.012 12.099 -1.583 1.00 0.00 H new ATOM 0 HA SER A 19 -2.739 11.582 -2.341 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.128 11.334 0.003 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.420 12.455 0.380 1.00 0.00 H new ATOM 0 HG SER A 19 -2.745 9.829 -0.749 1.00 0.00 H new ATOM 296 N ALA A 20 -1.663 14.540 -1.371 1.00 0.00 N ATOM 297 CA ALA A 20 -1.980 15.958 -1.355 1.00 0.00 C ATOM 298 C ALA A 20 -2.807 16.277 -0.107 1.00 0.00 C ATOM 299 O ALA A 20 -3.118 17.437 0.155 1.00 0.00 O ATOM 300 CB ALA A 20 -2.707 16.333 -2.648 1.00 0.00 C ATOM 0 H ALA A 20 -0.719 14.311 -1.059 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.069 16.555 -1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.945 17.397 -2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.066 16.114 -3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.628 15.756 -2.728 1.00 0.00 H new ATOM 306 N ASP A 21 -3.138 15.226 0.628 1.00 0.00 N ATOM 307 CA ASP A 21 -3.923 15.379 1.841 1.00 0.00 C ATOM 308 C ASP A 21 -3.106 14.883 3.037 1.00 0.00 C ATOM 309 O ASP A 21 -3.493 15.091 4.186 1.00 0.00 O ATOM 310 CB ASP A 21 -5.209 14.556 1.774 1.00 0.00 C ATOM 311 CG ASP A 21 -6.421 15.191 2.459 1.00 0.00 C ATOM 312 OD1 ASP A 21 -6.892 16.224 1.937 1.00 0.00 O ATOM 313 OD2 ASP A 21 -6.849 14.629 3.490 1.00 0.00 O ATOM 0 H ASP A 21 -2.877 14.265 0.407 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.176 16.434 1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.454 14.378 0.727 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.023 13.582 2.228 1.00 0.00 H new ATOM 319 N LYS A 22 -1.992 14.237 2.725 1.00 0.00 N ATOM 320 CA LYS A 22 -1.119 13.710 3.760 1.00 0.00 C ATOM 321 C LYS A 22 -1.968 13.147 4.901 1.00 0.00 C ATOM 322 O LYS A 22 -1.816 13.555 6.051 1.00 0.00 O ATOM 323 CB LYS A 22 -0.115 14.774 4.206 1.00 0.00 C ATOM 324 CG LYS A 22 0.344 15.626 3.022 1.00 0.00 C ATOM 325 CD LYS A 22 1.289 14.838 2.113 1.00 0.00 C ATOM 326 CE LYS A 22 2.691 15.449 2.115 1.00 0.00 C ATOM 327 NZ LYS A 22 3.605 14.646 2.957 1.00 0.00 N ATOM 0 H LYS A 22 -1.674 14.067 1.771 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.522 12.885 3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.569 15.413 4.964 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.747 14.294 4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.523 15.958 2.451 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.847 16.521 3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.340 13.802 2.447 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.895 14.826 1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.074 15.498 1.096 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.648 16.472 2.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.552 15.075 2.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.246 14.621 3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.660 13.677 2.583 1.00 0.00 H new ATOM 341 N ASP A 23 -2.845 12.221 4.542 1.00 0.00 N ATOM 342 CA ASP A 23 -3.718 11.599 5.523 1.00 0.00 C ATOM 343 C ASP A 23 -3.653 10.078 5.367 1.00 0.00 C ATOM 344 O ASP A 23 -4.179 9.525 4.401 1.00 0.00 O ATOM 345 CB ASP A 23 -5.172 12.032 5.318 1.00 0.00 C ATOM 346 CG ASP A 23 -5.828 12.688 6.535 1.00 0.00 C ATOM 347 OD1 ASP A 23 -5.354 13.780 6.915 1.00 0.00 O ATOM 348 OD2 ASP A 23 -6.788 12.083 7.057 1.00 0.00 O ATOM 0 H ASP A 23 -2.970 11.887 3.586 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.385 11.907 6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.213 12.730 4.481 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.759 11.159 5.034 1.00 0.00 H new ATOM 354 N ALA A 24 -3.002 9.444 6.331 1.00 0.00 N ATOM 355 CA ALA A 24 -2.859 7.998 6.312 1.00 0.00 C ATOM 356 C ALA A 24 -4.228 7.359 6.073 1.00 0.00 C ATOM 357 O ALA A 24 -4.314 6.192 5.693 1.00 0.00 O ATOM 358 CB ALA A 24 -2.218 7.531 7.620 1.00 0.00 C ATOM 0 H ALA A 24 -2.568 9.905 7.130 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.203 7.687 5.499 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.111 6.446 7.606 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.236 7.991 7.729 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.850 7.822 8.459 1.00 0.00 H new ATOM 364 N ASN A 25 -5.265 8.151 6.305 1.00 0.00 N ATOM 365 CA ASN A 25 -6.626 7.676 6.120 1.00 0.00 C ATOM 366 C ASN A 25 -6.971 7.701 4.630 1.00 0.00 C ATOM 367 O ASN A 25 -7.743 6.869 4.154 1.00 0.00 O ATOM 368 CB ASN A 25 -7.626 8.572 6.853 1.00 0.00 C ATOM 369 CG ASN A 25 -8.045 7.950 8.186 1.00 0.00 C ATOM 370 OD1 ASN A 25 -8.919 7.102 8.257 1.00 0.00 O ATOM 371 ND2 ASN A 25 -7.376 8.418 9.236 1.00 0.00 N ATOM 0 H ASN A 25 -5.190 9.118 6.619 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.688 6.664 6.520 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.181 9.552 7.029 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.505 8.728 6.228 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.583 8.066 10.171 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.656 9.128 9.106 1.00 0.00 H new ATOM 378 N VAL A 26 -6.383 8.663 3.935 1.00 0.00 N ATOM 379 CA VAL A 26 -6.619 8.808 2.509 1.00 0.00 C ATOM 380 C VAL A 26 -5.645 7.911 1.742 1.00 0.00 C ATOM 381 O VAL A 26 -5.719 7.812 0.518 1.00 0.00 O ATOM 382 CB VAL A 26 -6.517 10.281 2.108 1.00 0.00 C ATOM 383 CG1 VAL A 26 -7.050 10.501 0.690 1.00 0.00 C ATOM 384 CG2 VAL A 26 -7.247 11.174 3.113 1.00 0.00 C ATOM 0 H VAL A 26 -5.743 9.350 4.333 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.629 8.485 2.254 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.463 10.559 2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.966 11.556 0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.468 9.906 -0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.096 10.198 0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.159 12.216 2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.300 10.894 3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.803 11.049 4.101 1.00 0.00 H new ATOM 394 N ILE A 27 -4.754 7.280 2.493 1.00 0.00 N ATOM 395 CA ILE A 27 -3.767 6.395 1.900 1.00 0.00 C ATOM 396 C ILE A 27 -4.314 4.966 1.881 1.00 0.00 C ATOM 397 O ILE A 27 -4.440 4.359 0.818 1.00 0.00 O ATOM 398 CB ILE A 27 -2.424 6.529 2.620 1.00 0.00 C ATOM 399 CG1 ILE A 27 -2.211 7.959 3.120 1.00 0.00 C ATOM 400 CG2 ILE A 27 -1.274 6.055 1.730 1.00 0.00 C ATOM 401 CD1 ILE A 27 -2.316 8.963 1.970 1.00 0.00 C ATOM 0 H ILE A 27 -4.695 7.365 3.508 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.577 6.678 0.865 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.440 5.881 3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.953 8.196 3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.232 8.041 3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.331 6.161 2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.426 5.008 1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.245 6.657 0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.161 9.972 2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.557 8.738 1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.305 8.895 1.517 1.00 0.00 H new ATOM 413 N LYS A 28 -4.627 4.471 3.069 1.00 0.00 N ATOM 414 CA LYS A 28 -5.159 3.125 3.202 1.00 0.00 C ATOM 415 C LYS A 28 -6.442 3.004 2.378 1.00 0.00 C ATOM 416 O LYS A 28 -6.680 1.980 1.740 1.00 0.00 O ATOM 417 CB LYS A 28 -5.341 2.764 4.678 1.00 0.00 C ATOM 418 CG LYS A 28 -6.540 3.502 5.279 1.00 0.00 C ATOM 419 CD LYS A 28 -6.839 2.999 6.693 1.00 0.00 C ATOM 420 CE LYS A 28 -5.764 3.463 7.679 1.00 0.00 C ATOM 421 NZ LYS A 28 -6.262 4.591 8.497 1.00 0.00 N ATOM 0 H LYS A 28 -4.523 4.977 3.948 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.453 2.396 2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.484 1.688 4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.438 3.018 5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.337 4.573 5.305 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.415 3.359 4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.814 3.365 7.014 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.891 1.910 6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.476 2.636 8.327 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.870 3.768 7.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.481 5.250 8.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.014 5.089 7.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.641 4.228 9.395 1.00 0.00 H new ATOM 435 N LYS A 29 -7.235 4.065 2.418 1.00 0.00 N ATOM 436 CA LYS A 29 -8.488 4.090 1.681 1.00 0.00 C ATOM 437 C LYS A 29 -8.192 4.124 0.181 1.00 0.00 C ATOM 438 O LYS A 29 -8.546 3.197 -0.546 1.00 0.00 O ATOM 439 CB LYS A 29 -9.369 5.246 2.162 1.00 0.00 C ATOM 440 CG LYS A 29 -10.155 4.852 3.414 1.00 0.00 C ATOM 441 CD LYS A 29 -10.667 6.091 4.151 1.00 0.00 C ATOM 442 CE LYS A 29 -11.535 6.956 3.235 1.00 0.00 C ATOM 443 NZ LYS A 29 -12.726 6.200 2.785 1.00 0.00 N ATOM 0 H LYS A 29 -7.035 4.913 2.949 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.061 3.183 1.872 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.748 6.116 2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.060 5.535 1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.996 4.217 3.135 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.519 4.266 4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.245 5.786 5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.823 6.676 4.516 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.847 7.857 3.764 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.954 7.279 2.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.394 6.849 2.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.435 5.463 2.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.186 5.756 3.605 1.00 0.00 H new ATOM 457 N ASP A 30 -7.546 5.202 -0.238 1.00 0.00 N ATOM 458 CA ASP A 30 -7.199 5.369 -1.639 1.00 0.00 C ATOM 459 C ASP A 30 -6.698 4.036 -2.199 1.00 0.00 C ATOM 460 O ASP A 30 -7.235 3.531 -3.183 1.00 0.00 O ATOM 461 CB ASP A 30 -6.085 6.403 -1.810 1.00 0.00 C ATOM 462 CG ASP A 30 -6.558 7.855 -1.899 1.00 0.00 C ATOM 463 OD1 ASP A 30 -7.792 8.050 -1.917 1.00 0.00 O ATOM 464 OD2 ASP A 30 -5.674 8.738 -1.948 1.00 0.00 O ATOM 0 H ASP A 30 -7.254 5.969 0.368 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.089 5.707 -2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.394 6.313 -0.972 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.523 6.164 -2.713 1.00 0.00 H new ATOM 470 N PHE A 31 -5.674 3.506 -1.546 1.00 0.00 N ATOM 471 CA PHE A 31 -5.093 2.241 -1.966 1.00 0.00 C ATOM 472 C PHE A 31 -6.180 1.262 -2.416 1.00 0.00 C ATOM 473 O PHE A 31 -6.191 0.826 -3.566 1.00 0.00 O ATOM 474 CB PHE A 31 -4.369 1.656 -0.752 1.00 0.00 C ATOM 475 CG PHE A 31 -3.838 0.238 -0.969 1.00 0.00 C ATOM 476 CD1 PHE A 31 -4.688 -0.823 -0.911 1.00 0.00 C ATOM 477 CD2 PHE A 31 -2.516 0.036 -1.217 1.00 0.00 C ATOM 478 CE1 PHE A 31 -4.196 -2.139 -1.111 1.00 0.00 C ATOM 479 CE2 PHE A 31 -2.024 -1.281 -1.417 1.00 0.00 C ATOM 480 CZ PHE A 31 -2.874 -2.340 -1.360 1.00 0.00 C ATOM 0 H PHE A 31 -5.232 3.929 -0.730 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.416 2.403 -2.805 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.536 2.309 -0.489 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.051 1.651 0.098 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.738 -0.664 -0.713 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.840 0.877 -1.262 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.871 -2.981 -1.066 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.974 -1.441 -1.614 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.500 -3.341 -1.512 1.00 0.00 H new ATOM 490 N ASP A 32 -7.069 0.946 -1.486 1.00 0.00 N ATOM 491 CA ASP A 32 -8.157 0.026 -1.774 1.00 0.00 C ATOM 492 C ASP A 32 -8.899 0.497 -3.026 1.00 0.00 C ATOM 493 O ASP A 32 -9.390 -0.320 -3.804 1.00 0.00 O ATOM 494 CB ASP A 32 -9.160 -0.017 -0.618 1.00 0.00 C ATOM 495 CG ASP A 32 -10.109 -1.217 -0.631 1.00 0.00 C ATOM 496 OD1 ASP A 32 -9.605 -2.343 -0.426 1.00 0.00 O ATOM 497 OD2 ASP A 32 -11.317 -0.982 -0.847 1.00 0.00 O ATOM 0 H ASP A 32 -7.059 1.310 -0.533 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.731 -0.967 -1.920 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.608 -0.019 0.322 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.754 0.897 -0.637 1.00 0.00 H new ATOM 503 N ALA A 33 -8.958 1.811 -3.182 1.00 0.00 N ATOM 504 CA ALA A 33 -9.632 2.399 -4.326 1.00 0.00 C ATOM 505 C ALA A 33 -9.012 1.853 -5.614 1.00 0.00 C ATOM 506 O ALA A 33 -9.688 1.191 -6.401 1.00 0.00 O ATOM 507 CB ALA A 33 -9.547 3.924 -4.241 1.00 0.00 C ATOM 0 H ALA A 33 -8.550 2.485 -2.535 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.688 2.130 -4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.053 4.365 -5.100 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.026 4.265 -3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.501 4.231 -4.239 1.00 0.00 H new ATOM 513 N GLU A 34 -7.732 2.148 -5.790 1.00 0.00 N ATOM 514 CA GLU A 34 -7.015 1.695 -6.968 1.00 0.00 C ATOM 515 C GLU A 34 -6.922 0.167 -6.979 1.00 0.00 C ATOM 516 O GLU A 34 -7.393 -0.480 -7.912 1.00 0.00 O ATOM 517 CB GLU A 34 -5.624 2.329 -7.040 1.00 0.00 C ATOM 518 CG GLU A 34 -4.844 1.805 -8.248 1.00 0.00 C ATOM 519 CD GLU A 34 -5.721 1.784 -9.501 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.255 2.863 -9.839 1.00 0.00 O ATOM 521 OE2 GLU A 34 -5.841 0.689 -10.092 1.00 0.00 O ATOM 0 H GLU A 34 -7.174 2.696 -5.135 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.570 2.012 -7.851 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.718 3.413 -7.105 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.073 2.111 -6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.971 2.434 -8.422 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.477 0.800 -8.040 1.00 0.00 H new ATOM 529 N CYS A 35 -6.311 -0.364 -5.930 1.00 0.00 N ATOM 530 CA CYS A 35 -6.151 -1.802 -5.806 1.00 0.00 C ATOM 531 C CYS A 35 -7.431 -2.473 -6.309 1.00 0.00 C ATOM 532 O CYS A 35 -7.386 -3.304 -7.214 1.00 0.00 O ATOM 533 CB CYS A 35 -5.817 -2.214 -4.371 1.00 0.00 C ATOM 534 SG CYS A 35 -4.290 -3.206 -4.191 1.00 0.00 S ATOM 0 H CYS A 35 -5.921 0.177 -5.158 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.307 -2.129 -6.413 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.723 -1.314 -3.763 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.654 -2.785 -3.968 1.00 0.00 H new ATOM 539 N LYS A 36 -8.542 -2.087 -5.698 1.00 0.00 N ATOM 540 CA LYS A 36 -9.832 -2.641 -6.073 1.00 0.00 C ATOM 541 C LYS A 36 -9.894 -2.794 -7.594 1.00 0.00 C ATOM 542 O LYS A 36 -10.026 -3.906 -8.104 1.00 0.00 O ATOM 543 CB LYS A 36 -10.967 -1.793 -5.493 1.00 0.00 C ATOM 544 CG LYS A 36 -11.278 -2.206 -4.053 1.00 0.00 C ATOM 545 CD LYS A 36 -12.599 -2.975 -3.975 1.00 0.00 C ATOM 546 CE LYS A 36 -12.778 -3.881 -5.195 1.00 0.00 C ATOM 547 NZ LYS A 36 -13.784 -3.313 -6.120 1.00 0.00 N ATOM 0 H LYS A 36 -8.575 -1.398 -4.947 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.958 -3.636 -5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.690 -0.739 -5.521 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.860 -1.904 -6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.469 -2.826 -3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.331 -1.320 -3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.622 -3.575 -3.065 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.430 -2.272 -3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.825 -3.997 -5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.090 -4.875 -4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.695 -3.795 -5.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.897 -2.297 -5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.468 -3.447 -7.102 1.00 0.00 H new ATOM 561 N LYS A 37 -9.797 -1.662 -8.275 1.00 0.00 N ATOM 562 CA LYS A 37 -9.841 -1.657 -9.728 1.00 0.00 C ATOM 563 C LYS A 37 -8.413 -1.654 -10.276 1.00 0.00 C ATOM 564 O LYS A 37 -7.816 -0.595 -10.458 1.00 0.00 O ATOM 565 CB LYS A 37 -10.697 -0.494 -10.234 1.00 0.00 C ATOM 566 CG LYS A 37 -10.214 -0.014 -11.605 1.00 0.00 C ATOM 567 CD LYS A 37 -9.336 1.232 -11.471 1.00 0.00 C ATOM 568 CE LYS A 37 -8.136 1.160 -12.416 1.00 0.00 C ATOM 569 NZ LYS A 37 -8.460 1.790 -13.716 1.00 0.00 N ATOM 0 H LYS A 37 -9.688 -0.742 -7.848 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.323 -2.562 -10.098 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.739 -0.807 -10.300 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.656 0.330 -9.521 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.652 -0.809 -12.095 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.072 0.208 -12.240 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.925 2.122 -11.692 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.988 1.328 -10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.280 1.662 -11.965 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.850 0.120 -12.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.634 1.732 -14.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.263 1.293 -14.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.711 2.788 -13.565 1.00 0.00 H new ATOM 583 N LEU A 38 -7.906 -2.854 -10.525 1.00 0.00 N ATOM 584 CA LEU A 38 -6.560 -3.003 -11.049 1.00 0.00 C ATOM 585 C LEU A 38 -6.129 -4.466 -10.929 1.00 0.00 C ATOM 586 O LEU A 38 -5.404 -4.976 -11.783 1.00 0.00 O ATOM 587 CB LEU A 38 -5.606 -2.022 -10.363 1.00 0.00 C ATOM 588 CG LEU A 38 -4.294 -2.616 -9.844 1.00 0.00 C ATOM 589 CD1 LEU A 38 -4.534 -3.469 -8.597 1.00 0.00 C ATOM 590 CD2 LEU A 38 -3.572 -3.397 -10.944 1.00 0.00 C ATOM 0 H LEU A 38 -8.404 -3.731 -10.373 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.534 -2.749 -12.109 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.368 -1.225 -11.067 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.130 -1.561 -9.525 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.640 -1.795 -9.551 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.586 -3.879 -8.249 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.972 -2.852 -7.813 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.215 -4.285 -8.840 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.643 -3.808 -10.549 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.210 -4.210 -11.292 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.348 -2.730 -11.777 1.00 0.00 H new ATOM 602 N PHE A 39 -6.593 -5.100 -9.863 1.00 0.00 N ATOM 603 CA PHE A 39 -6.266 -6.494 -9.620 1.00 0.00 C ATOM 604 C PHE A 39 -7.522 -7.304 -9.293 1.00 0.00 C ATOM 605 O PHE A 39 -7.430 -8.447 -8.846 1.00 0.00 O ATOM 606 CB PHE A 39 -5.323 -6.529 -8.415 1.00 0.00 C ATOM 607 CG PHE A 39 -3.855 -6.752 -8.780 1.00 0.00 C ATOM 608 CD1 PHE A 39 -3.457 -6.677 -10.079 1.00 0.00 C ATOM 609 CD2 PHE A 39 -2.945 -7.026 -7.807 1.00 0.00 C ATOM 610 CE1 PHE A 39 -2.094 -6.883 -10.417 1.00 0.00 C ATOM 611 CE2 PHE A 39 -1.582 -7.233 -8.145 1.00 0.00 C ATOM 612 CZ PHE A 39 -1.185 -7.157 -9.444 1.00 0.00 C ATOM 0 H PHE A 39 -7.193 -4.674 -9.157 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.808 -6.928 -10.509 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.412 -5.590 -7.869 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.643 -7.322 -7.739 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.178 -6.461 -10.853 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.260 -7.086 -6.776 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.779 -6.822 -11.448 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.861 -7.451 -7.371 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.148 -7.314 -9.702 1.00 0.00 H new ATOM 622 N HIS A 40 -8.667 -6.680 -9.527 1.00 0.00 N ATOM 623 CA HIS A 40 -9.940 -7.328 -9.263 1.00 0.00 C ATOM 624 C HIS A 40 -9.899 -8.769 -9.776 1.00 0.00 C ATOM 625 O HIS A 40 -10.598 -9.637 -9.256 1.00 0.00 O ATOM 626 CB HIS A 40 -11.095 -6.520 -9.858 1.00 0.00 C ATOM 627 CG HIS A 40 -12.371 -7.309 -10.031 1.00 0.00 C ATOM 628 ND1 HIS A 40 -13.320 -7.430 -9.031 1.00 0.00 N ATOM 629 CD2 HIS A 40 -12.844 -8.014 -11.099 1.00 0.00 C ATOM 630 CE1 HIS A 40 -14.315 -8.177 -9.486 1.00 0.00 C ATOM 631 NE2 HIS A 40 -14.019 -8.538 -10.768 1.00 0.00 N ATOM 0 H HIS A 40 -8.740 -5.732 -9.897 1.00 0.00 H new ATOM 0 HA HIS A 40 -10.116 -7.367 -8.188 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -11.294 -5.663 -9.215 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -10.789 -6.127 -10.827 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -12.348 -8.127 -12.052 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -15.204 -8.452 -8.938 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -14.604 -9.115 -11.373 1.00 0.00 H new ATOM 640 N THR A 41 -9.072 -8.979 -10.790 1.00 0.00 N ATOM 641 CA THR A 41 -8.931 -10.299 -11.379 1.00 0.00 C ATOM 642 C THR A 41 -8.001 -11.167 -10.527 1.00 0.00 C ATOM 643 O THR A 41 -8.252 -12.357 -10.344 1.00 0.00 O ATOM 644 CB THR A 41 -8.446 -10.124 -12.820 1.00 0.00 C ATOM 645 OG1 THR A 41 -7.375 -9.191 -12.716 1.00 0.00 O ATOM 646 CG2 THR A 41 -9.476 -9.414 -13.702 1.00 0.00 C ATOM 0 H THR A 41 -8.493 -8.257 -11.218 1.00 0.00 H new ATOM 0 HA THR A 41 -9.885 -10.825 -11.403 1.00 0.00 H new ATOM 0 HB THR A 41 -8.215 -11.100 -13.246 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.001 -9.022 -13.606 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.082 -9.315 -14.714 1.00 0.00 H new ATOM 0 HG22 THR A 41 -10.397 -9.996 -13.726 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.683 -8.424 -13.295 1.00 0.00 H new ATOM 654 N ILE A 42 -6.949 -10.536 -10.029 1.00 0.00 N ATOM 655 CA ILE A 42 -5.981 -11.235 -9.201 1.00 0.00 C ATOM 656 C ILE A 42 -6.721 -12.085 -8.165 1.00 0.00 C ATOM 657 O ILE A 42 -7.767 -11.682 -7.659 1.00 0.00 O ATOM 658 CB ILE A 42 -4.987 -10.247 -8.587 1.00 0.00 C ATOM 659 CG1 ILE A 42 -4.095 -9.627 -9.664 1.00 0.00 C ATOM 660 CG2 ILE A 42 -4.169 -10.910 -7.477 1.00 0.00 C ATOM 661 CD1 ILE A 42 -3.396 -10.710 -10.489 1.00 0.00 C ATOM 0 H ILE A 42 -6.745 -9.548 -10.183 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.385 -11.917 -9.807 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.551 -9.435 -8.129 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.696 -8.997 -10.320 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.350 -8.983 -9.197 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.470 -10.186 -7.058 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.839 -11.264 -6.693 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.614 -11.753 -7.888 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.768 -10.242 -11.247 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.777 -11.324 -9.834 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.144 -11.337 -10.974 1.00 0.00 H new ATOM 673 N PRO A 43 -6.134 -13.277 -7.875 1.00 0.00 N ATOM 674 CA PRO A 43 -6.728 -14.187 -6.909 1.00 0.00 C ATOM 675 C PRO A 43 -6.507 -13.689 -5.479 1.00 0.00 C ATOM 676 O PRO A 43 -5.413 -13.827 -4.933 1.00 0.00 O ATOM 677 CB PRO A 43 -6.069 -15.530 -7.179 1.00 0.00 C ATOM 678 CG PRO A 43 -4.805 -15.225 -7.966 1.00 0.00 C ATOM 679 CD PRO A 43 -4.896 -13.788 -8.455 1.00 0.00 C ATOM 0 HA PRO A 43 -7.811 -14.261 -7.011 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.834 -16.044 -6.247 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -6.733 -16.184 -7.745 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.923 -15.360 -7.340 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.705 -15.909 -8.808 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.035 -13.204 -8.129 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.920 -13.741 -9.544 1.00 0.00 H new ATOM 687 N PHE A 44 -7.562 -13.123 -4.914 1.00 0.00 N ATOM 688 CA PHE A 44 -7.497 -12.604 -3.558 1.00 0.00 C ATOM 689 C PHE A 44 -6.743 -11.274 -3.515 1.00 0.00 C ATOM 690 O PHE A 44 -6.579 -10.683 -2.449 1.00 0.00 O ATOM 691 CB PHE A 44 -6.736 -13.635 -2.721 1.00 0.00 C ATOM 692 CG PHE A 44 -7.008 -15.086 -3.124 1.00 0.00 C ATOM 693 CD1 PHE A 44 -8.283 -15.502 -3.350 1.00 0.00 C ATOM 694 CD2 PHE A 44 -5.974 -15.960 -3.255 1.00 0.00 C ATOM 695 CE1 PHE A 44 -8.535 -16.848 -3.723 1.00 0.00 C ATOM 696 CE2 PHE A 44 -6.227 -17.307 -3.629 1.00 0.00 C ATOM 697 CZ PHE A 44 -7.502 -17.723 -3.855 1.00 0.00 C ATOM 0 H PHE A 44 -8.468 -13.012 -5.370 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.504 -12.432 -3.177 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.667 -13.439 -2.806 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.002 -13.504 -1.672 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.104 -14.808 -3.246 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.961 -15.630 -3.075 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.548 -17.178 -3.902 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.406 -18.001 -3.734 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.694 -18.747 -4.139 1.00 0.00 H new ATOM 707 N GLY A 45 -6.304 -10.841 -4.688 1.00 0.00 N ATOM 708 CA GLY A 45 -5.571 -9.592 -4.799 1.00 0.00 C ATOM 709 C GLY A 45 -6.301 -8.461 -4.069 1.00 0.00 C ATOM 710 O GLY A 45 -5.675 -7.653 -3.386 1.00 0.00 O ATOM 0 H GLY A 45 -6.442 -11.334 -5.570 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.572 -9.714 -4.381 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.447 -9.331 -5.850 1.00 0.00 H new ATOM 714 N THR A 46 -7.614 -8.442 -4.240 1.00 0.00 N ATOM 715 CA THR A 46 -8.437 -7.425 -3.606 1.00 0.00 C ATOM 716 C THR A 46 -8.534 -7.679 -2.101 1.00 0.00 C ATOM 717 O THR A 46 -8.437 -6.748 -1.303 1.00 0.00 O ATOM 718 CB THR A 46 -9.795 -7.411 -4.309 1.00 0.00 C ATOM 719 OG1 THR A 46 -10.347 -8.694 -4.024 1.00 0.00 O ATOM 720 CG2 THR A 46 -9.667 -7.390 -5.833 1.00 0.00 C ATOM 0 H THR A 46 -8.129 -9.114 -4.808 1.00 0.00 H new ATOM 0 HA THR A 46 -7.992 -6.435 -3.708 1.00 0.00 H new ATOM 0 HB THR A 46 -10.363 -6.540 -3.982 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.230 -8.770 -4.441 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.660 -7.381 -6.281 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.122 -6.497 -6.140 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.127 -8.277 -6.165 1.00 0.00 H new ATOM 728 N ARG A 47 -8.723 -8.945 -1.757 1.00 0.00 N ATOM 729 CA ARG A 47 -8.833 -9.333 -0.361 1.00 0.00 C ATOM 730 C ARG A 47 -7.617 -8.840 0.425 1.00 0.00 C ATOM 731 O ARG A 47 -7.763 -8.150 1.433 1.00 0.00 O ATOM 732 CB ARG A 47 -8.943 -10.852 -0.219 1.00 0.00 C ATOM 733 CG ARG A 47 -8.773 -11.280 1.240 1.00 0.00 C ATOM 734 CD ARG A 47 -9.916 -10.745 2.105 1.00 0.00 C ATOM 735 NE ARG A 47 -10.160 -11.660 3.243 1.00 0.00 N ATOM 736 CZ ARG A 47 -10.819 -12.823 3.142 1.00 0.00 C ATOM 737 NH1 ARG A 47 -11.301 -13.221 1.958 1.00 0.00 N ATOM 738 NH2 ARG A 47 -10.994 -13.589 4.228 1.00 0.00 N ATOM 0 H ARG A 47 -8.803 -9.715 -2.421 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.738 -8.876 0.040 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.912 -11.186 -0.589 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.183 -11.334 -0.834 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.743 -12.368 1.303 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.820 -10.913 1.622 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.669 -9.750 2.474 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.821 -10.647 1.506 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.805 -11.389 4.160 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.167 -12.639 1.131 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.802 -14.106 1.883 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.626 -13.287 5.130 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.495 -14.474 4.152 1.00 0.00 H new ATOM 752 N GLU A 48 -6.445 -9.214 -0.065 1.00 0.00 N ATOM 753 CA GLU A 48 -5.203 -8.818 0.579 1.00 0.00 C ATOM 754 C GLU A 48 -5.030 -7.299 0.509 1.00 0.00 C ATOM 755 O GLU A 48 -4.503 -6.689 1.438 1.00 0.00 O ATOM 756 CB GLU A 48 -4.006 -9.536 -0.049 1.00 0.00 C ATOM 757 CG GLU A 48 -3.053 -10.056 1.029 1.00 0.00 C ATOM 758 CD GLU A 48 -2.506 -8.908 1.878 1.00 0.00 C ATOM 759 OE1 GLU A 48 -3.192 -8.551 2.861 1.00 0.00 O ATOM 760 OE2 GLU A 48 -1.415 -8.410 1.525 1.00 0.00 O ATOM 0 H GLU A 48 -6.328 -9.787 -0.901 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.251 -9.111 1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.356 -10.367 -0.662 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.474 -8.853 -0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.575 -10.769 1.668 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.227 -10.592 0.561 1.00 0.00 H new ATOM 768 N CYS A 49 -5.482 -6.734 -0.600 1.00 0.00 N ATOM 769 CA CYS A 49 -5.383 -5.300 -0.803 1.00 0.00 C ATOM 770 C CYS A 49 -6.031 -4.599 0.393 1.00 0.00 C ATOM 771 O CYS A 49 -5.487 -3.630 0.919 1.00 0.00 O ATOM 772 CB CYS A 49 -6.018 -4.870 -2.127 1.00 0.00 C ATOM 773 SG CYS A 49 -4.915 -4.990 -3.582 1.00 0.00 S ATOM 0 H CYS A 49 -5.918 -7.244 -1.368 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.334 -5.012 -0.868 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -6.901 -5.484 -2.306 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.360 -3.839 -2.032 1.00 0.00 H new ATOM 778 N ASP A 50 -7.184 -5.119 0.789 1.00 0.00 N ATOM 779 CA ASP A 50 -7.912 -4.556 1.913 1.00 0.00 C ATOM 780 C ASP A 50 -7.224 -4.966 3.217 1.00 0.00 C ATOM 781 O ASP A 50 -7.373 -4.297 4.239 1.00 0.00 O ATOM 782 CB ASP A 50 -9.351 -5.075 1.954 1.00 0.00 C ATOM 783 CG ASP A 50 -10.398 -4.047 2.387 1.00 0.00 C ATOM 784 OD1 ASP A 50 -10.069 -3.247 3.290 1.00 0.00 O ATOM 785 OD2 ASP A 50 -11.503 -4.083 1.805 1.00 0.00 O ATOM 0 H ASP A 50 -7.632 -5.924 0.351 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.923 -3.472 1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.616 -5.446 0.964 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.395 -5.925 2.635 1.00 0.00 H new ATOM 791 N HIS A 51 -6.485 -6.063 3.139 1.00 0.00 N ATOM 792 CA HIS A 51 -5.775 -6.570 4.301 1.00 0.00 C ATOM 793 C HIS A 51 -4.365 -5.976 4.339 1.00 0.00 C ATOM 794 O HIS A 51 -3.524 -6.413 5.122 1.00 0.00 O ATOM 795 CB HIS A 51 -5.773 -8.100 4.311 1.00 0.00 C ATOM 796 CG HIS A 51 -6.604 -8.707 5.417 1.00 0.00 C ATOM 797 ND1 HIS A 51 -7.882 -8.269 5.721 1.00 0.00 N ATOM 798 CD2 HIS A 51 -6.328 -9.721 6.286 1.00 0.00 C ATOM 799 CE1 HIS A 51 -8.343 -8.994 6.729 1.00 0.00 C ATOM 800 NE2 HIS A 51 -7.378 -9.893 7.078 1.00 0.00 N ATOM 0 H HIS A 51 -6.363 -6.615 2.290 1.00 0.00 H new ATOM 0 HA HIS A 51 -6.289 -6.259 5.211 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -6.144 -8.460 3.352 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.746 -8.451 4.407 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.410 -10.288 6.323 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.313 -8.891 7.193 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.452 -10.584 7.825 1.00 0.00 H new ATOM 809 N TYR A 52 -4.151 -4.988 3.481 1.00 0.00 N ATOM 810 CA TYR A 52 -2.857 -4.329 3.408 1.00 0.00 C ATOM 811 C TYR A 52 -2.956 -2.876 3.874 1.00 0.00 C ATOM 812 O TYR A 52 -2.080 -2.389 4.588 1.00 0.00 O ATOM 813 CB TYR A 52 -2.456 -4.353 1.932 1.00 0.00 C ATOM 814 CG TYR A 52 -0.975 -4.063 1.685 1.00 0.00 C ATOM 815 CD1 TYR A 52 -0.024 -5.022 1.975 1.00 0.00 C ATOM 816 CD2 TYR A 52 -0.586 -2.841 1.172 1.00 0.00 C ATOM 817 CE1 TYR A 52 1.369 -4.748 1.743 1.00 0.00 C ATOM 818 CE2 TYR A 52 0.808 -2.568 0.939 1.00 0.00 C ATOM 819 CZ TYR A 52 1.717 -3.534 1.237 1.00 0.00 C ATOM 820 OH TYR A 52 3.035 -3.276 1.018 1.00 0.00 O ATOM 0 H TYR A 52 -4.851 -4.629 2.832 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.132 -4.833 4.047 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.698 -5.331 1.516 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.054 -3.620 1.392 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.326 -5.978 2.376 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.328 -2.090 0.946 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.122 -5.490 1.966 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.125 -1.617 0.536 1.00 0.00 H new ATOM 0 HH TYR A 52 3.353 -3.816 0.264 1.00 0.00 H new ATOM 830 N VAL A 53 -4.027 -2.223 3.450 1.00 0.00 N ATOM 831 CA VAL A 53 -4.251 -0.834 3.815 1.00 0.00 C ATOM 832 C VAL A 53 -4.261 -0.707 5.340 1.00 0.00 C ATOM 833 O VAL A 53 -4.113 0.389 5.876 1.00 0.00 O ATOM 834 CB VAL A 53 -5.537 -0.323 3.163 1.00 0.00 C ATOM 835 CG1 VAL A 53 -5.666 -0.836 1.728 1.00 0.00 C ATOM 836 CG2 VAL A 53 -6.763 -0.705 3.995 1.00 0.00 C ATOM 0 H VAL A 53 -4.750 -2.630 2.857 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.442 -0.205 3.442 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.484 0.765 3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.589 -0.458 1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.816 -0.490 1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.686 -1.926 1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.664 -0.330 3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.822 -1.790 4.080 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.678 -0.268 4.990 1.00 0.00 H new ATOM 846 N ASN A 54 -4.439 -1.845 5.995 1.00 0.00 N ATOM 847 CA ASN A 54 -4.472 -1.876 7.448 1.00 0.00 C ATOM 848 C ASN A 54 -3.617 -3.041 7.947 1.00 0.00 C ATOM 849 O ASN A 54 -4.147 -4.050 8.413 1.00 0.00 O ATOM 850 CB ASN A 54 -5.898 -2.079 7.962 1.00 0.00 C ATOM 851 CG ASN A 54 -6.126 -1.308 9.265 1.00 0.00 C ATOM 852 OD1 ASN A 54 -5.200 -0.871 9.927 1.00 0.00 O ATOM 853 ND2 ASN A 54 -7.407 -1.166 9.592 1.00 0.00 N ATOM 0 H ASN A 54 -4.562 -2.753 5.546 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.090 -0.924 7.815 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.611 -1.745 7.208 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.081 -3.141 8.127 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.664 -0.666 10.443 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -8.133 -1.557 8.992 1.00 0.00 H new ATOM 860 N SER A 55 -2.309 -2.866 7.836 1.00 0.00 N ATOM 861 CA SER A 55 -1.376 -3.891 8.271 1.00 0.00 C ATOM 862 C SER A 55 0.001 -3.642 7.652 1.00 0.00 C ATOM 863 O SER A 55 1.021 -4.029 8.222 1.00 0.00 O ATOM 864 CB SER A 55 -1.880 -5.287 7.901 1.00 0.00 C ATOM 865 OG SER A 55 -2.288 -6.028 9.047 1.00 0.00 O ATOM 0 H SER A 55 -1.873 -2.029 7.451 1.00 0.00 H new ATOM 0 HA SER A 55 -1.294 -3.840 9.357 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.718 -5.198 7.209 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.092 -5.830 7.379 1.00 0.00 H new ATOM 0 HG SER A 55 -3.144 -5.680 9.374 1.00 0.00 H new ATOM 871 N LYS A 56 -0.013 -2.998 6.495 1.00 0.00 N ATOM 872 CA LYS A 56 1.221 -2.693 5.793 1.00 0.00 C ATOM 873 C LYS A 56 1.246 -1.205 5.434 1.00 0.00 C ATOM 874 O LYS A 56 2.146 -0.748 4.732 1.00 0.00 O ATOM 875 CB LYS A 56 1.395 -3.619 4.587 1.00 0.00 C ATOM 876 CG LYS A 56 1.370 -5.088 5.015 1.00 0.00 C ATOM 877 CD LYS A 56 2.709 -5.502 5.629 1.00 0.00 C ATOM 878 CE LYS A 56 2.503 -6.512 6.761 1.00 0.00 C ATOM 879 NZ LYS A 56 3.312 -7.729 6.522 1.00 0.00 N ATOM 0 H LYS A 56 -0.860 -2.679 6.026 1.00 0.00 H new ATOM 0 HA LYS A 56 2.080 -2.880 6.437 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.601 -3.434 3.864 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.338 -3.398 4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.570 -5.247 5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.151 -5.718 4.153 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.347 -5.937 4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.226 -4.622 6.011 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.784 -6.062 7.713 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.448 -6.777 6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.161 -8.404 7.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.025 -8.166 5.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.319 -7.473 6.476 1.00 0.00 H new ATOM 893 N VAL A 57 0.246 -0.494 5.933 1.00 0.00 N ATOM 894 CA VAL A 57 0.142 0.933 5.675 1.00 0.00 C ATOM 895 C VAL A 57 0.703 1.706 6.869 1.00 0.00 C ATOM 896 O VAL A 57 1.525 2.604 6.701 1.00 0.00 O ATOM 897 CB VAL A 57 -1.308 1.301 5.351 1.00 0.00 C ATOM 898 CG1 VAL A 57 -1.673 2.663 5.944 1.00 0.00 C ATOM 899 CG2 VAL A 57 -1.556 1.276 3.841 1.00 0.00 C ATOM 0 H VAL A 57 -0.499 -0.878 6.514 1.00 0.00 H new ATOM 0 HA VAL A 57 0.736 1.208 4.803 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.954 0.552 5.809 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.708 2.901 5.699 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.554 2.632 7.027 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.017 3.428 5.529 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.594 1.541 3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.896 1.993 3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.355 0.276 3.456 1.00 0.00 H new ATOM 909 N ASP A 58 0.234 1.329 8.050 1.00 0.00 N ATOM 910 CA ASP A 58 0.679 1.976 9.273 1.00 0.00 C ATOM 911 C ASP A 58 2.208 1.999 9.305 1.00 0.00 C ATOM 912 O ASP A 58 2.809 3.014 9.656 1.00 0.00 O ATOM 913 CB ASP A 58 0.192 1.214 10.507 1.00 0.00 C ATOM 914 CG ASP A 58 -0.466 2.080 11.583 1.00 0.00 C ATOM 915 OD1 ASP A 58 0.294 2.763 12.305 1.00 0.00 O ATOM 916 OD2 ASP A 58 -1.713 2.040 11.661 1.00 0.00 O ATOM 0 H ASP A 58 -0.449 0.584 8.186 1.00 0.00 H new ATOM 0 HA ASP A 58 0.271 2.986 9.288 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.521 0.453 10.188 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.039 0.691 10.951 1.00 0.00 H new ATOM 922 N PRO A 59 2.809 0.840 8.925 1.00 0.00 N ATOM 923 CA PRO A 59 4.257 0.720 8.907 1.00 0.00 C ATOM 924 C PRO A 59 4.855 1.462 7.710 1.00 0.00 C ATOM 925 O PRO A 59 5.726 2.315 7.876 1.00 0.00 O ATOM 926 CB PRO A 59 4.526 -0.776 8.872 1.00 0.00 C ATOM 927 CG PRO A 59 3.232 -1.422 8.404 1.00 0.00 C ATOM 928 CD PRO A 59 2.129 -0.380 8.503 1.00 0.00 C ATOM 0 HA PRO A 59 4.728 1.177 9.777 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.347 -1.009 8.194 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.812 -1.144 9.857 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.331 -1.776 7.378 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.994 -2.290 9.019 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.627 -0.243 7.545 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.366 -0.678 9.223 1.00 0.00 H new ATOM 936 N ILE A 60 4.362 1.113 6.531 1.00 0.00 N ATOM 937 CA ILE A 60 4.837 1.736 5.308 1.00 0.00 C ATOM 938 C ILE A 60 4.890 3.253 5.500 1.00 0.00 C ATOM 939 O ILE A 60 5.957 3.857 5.402 1.00 0.00 O ATOM 940 CB ILE A 60 3.982 1.297 4.116 1.00 0.00 C ATOM 941 CG1 ILE A 60 4.398 -0.092 3.625 1.00 0.00 C ATOM 942 CG2 ILE A 60 4.027 2.338 2.996 1.00 0.00 C ATOM 943 CD1 ILE A 60 3.573 -0.513 2.408 1.00 0.00 C ATOM 0 H ILE A 60 3.638 0.407 6.397 1.00 0.00 H new ATOM 0 HA ILE A 60 5.851 1.407 5.083 1.00 0.00 H new ATOM 0 HB ILE A 60 2.946 1.225 4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.457 -0.088 3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.267 -0.819 4.426 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.412 2.002 2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.646 3.289 3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.056 2.466 2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.889 -1.503 2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.517 -0.539 2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.725 0.203 1.600 1.00 0.00 H new ATOM 955 N ILE A 61 3.725 3.825 5.769 1.00 0.00 N ATOM 956 CA ILE A 61 3.625 5.259 5.978 1.00 0.00 C ATOM 957 C ILE A 61 4.567 5.673 7.110 1.00 0.00 C ATOM 958 O ILE A 61 4.953 6.836 7.206 1.00 0.00 O ATOM 959 CB ILE A 61 2.169 5.667 6.208 1.00 0.00 C ATOM 960 CG1 ILE A 61 1.256 5.073 5.133 1.00 0.00 C ATOM 961 CG2 ILE A 61 2.033 7.188 6.298 1.00 0.00 C ATOM 962 CD1 ILE A 61 0.066 5.993 4.855 1.00 0.00 C ATOM 0 H ILE A 61 2.842 3.320 5.847 1.00 0.00 H new ATOM 0 HA ILE A 61 3.945 5.797 5.085 1.00 0.00 H new ATOM 0 HB ILE A 61 1.848 5.258 7.166 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.823 4.918 4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.897 4.096 5.455 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.988 7.451 6.462 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.635 7.559 7.128 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.379 7.640 5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.567 5.547 4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.512 6.127 5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.428 6.962 4.510 1.00 0.00 H new ATOM 974 N HIS A 62 4.908 4.697 7.939 1.00 0.00 N ATOM 975 CA HIS A 62 5.797 4.946 9.062 1.00 0.00 C ATOM 976 C HIS A 62 7.177 5.352 8.543 1.00 0.00 C ATOM 977 O HIS A 62 7.890 6.116 9.193 1.00 0.00 O ATOM 978 CB HIS A 62 5.848 3.734 9.993 1.00 0.00 C ATOM 979 CG HIS A 62 7.161 2.990 9.964 1.00 0.00 C ATOM 980 ND1 HIS A 62 7.944 2.605 8.916 1.00 0.00 N flip ATOM 981 CD2 HIS A 62 7.806 2.560 11.112 1.00 0.00 C flip ATOM 982 CE1 HIS A 62 9.009 1.976 9.397 1.00 0.00 C flip ATOM 983 NE2 HIS A 62 8.925 1.946 10.758 1.00 0.00 N flip ATOM 0 H HIS A 62 4.585 3.733 7.856 1.00 0.00 H new ATOM 0 HA HIS A 62 5.413 5.774 9.658 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.652 4.064 11.013 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.047 3.047 9.721 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.456 2.701 12.124 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.811 1.557 8.807 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.604 1.525 11.392 1.00 0.00 H new ATOM 992 N GLU A 63 7.515 4.825 7.375 1.00 0.00 N ATOM 993 CA GLU A 63 8.798 5.123 6.761 1.00 0.00 C ATOM 994 C GLU A 63 8.722 6.441 5.988 1.00 0.00 C ATOM 995 O GLU A 63 9.521 7.347 6.219 1.00 0.00 O ATOM 996 CB GLU A 63 9.249 3.979 5.852 1.00 0.00 C ATOM 997 CG GLU A 63 10.503 3.298 6.407 1.00 0.00 C ATOM 998 CD GLU A 63 11.644 4.304 6.574 1.00 0.00 C ATOM 999 OE1 GLU A 63 11.332 5.513 6.632 1.00 0.00 O ATOM 1000 OE2 GLU A 63 12.803 3.841 6.641 1.00 0.00 O ATOM 0 H GLU A 63 6.922 4.193 6.837 1.00 0.00 H new ATOM 0 HA GLU A 63 9.542 5.230 7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.446 3.248 5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.452 4.363 4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.276 2.837 7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.814 2.498 5.736 1.00 0.00 H new ATOM 1008 N LEU A 64 7.755 6.506 5.086 1.00 0.00 N ATOM 1009 CA LEU A 64 7.564 7.699 4.277 1.00 0.00 C ATOM 1010 C LEU A 64 7.593 8.933 5.182 1.00 0.00 C ATOM 1011 O LEU A 64 8.193 9.948 4.834 1.00 0.00 O ATOM 1012 CB LEU A 64 6.290 7.580 3.438 1.00 0.00 C ATOM 1013 CG LEU A 64 6.306 6.512 2.342 1.00 0.00 C ATOM 1014 CD1 LEU A 64 4.914 6.330 1.736 1.00 0.00 C ATOM 1015 CD2 LEU A 64 7.358 6.832 1.279 1.00 0.00 C ATOM 0 H LEU A 64 7.095 5.752 4.897 1.00 0.00 H new ATOM 0 HA LEU A 64 8.379 7.809 3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.456 7.372 4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.093 8.546 2.973 1.00 0.00 H new ATOM 0 HG LEU A 64 6.587 5.561 2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.952 5.566 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.216 6.022 2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.580 7.272 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.348 6.057 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.133 7.796 0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.344 6.871 1.743 1.00 0.00 H new ATOM 1027 N GLU A 65 6.935 8.804 6.325 1.00 0.00 N ATOM 1028 CA GLU A 65 6.877 9.896 7.281 1.00 0.00 C ATOM 1029 C GLU A 65 8.273 10.193 7.833 1.00 0.00 C ATOM 1030 O GLU A 65 8.664 11.353 7.950 1.00 0.00 O ATOM 1031 CB GLU A 65 5.895 9.583 8.412 1.00 0.00 C ATOM 1032 CG GLU A 65 4.450 9.805 7.961 1.00 0.00 C ATOM 1033 CD GLU A 65 3.718 10.754 8.911 1.00 0.00 C ATOM 1034 OE1 GLU A 65 3.865 10.555 10.137 1.00 0.00 O ATOM 1035 OE2 GLU A 65 3.028 11.658 8.392 1.00 0.00 O ATOM 0 H GLU A 65 6.438 7.960 6.610 1.00 0.00 H new ATOM 0 HA GLU A 65 6.515 10.786 6.766 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.024 8.550 8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.112 10.216 9.273 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.440 10.216 6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.927 8.850 7.922 1.00 0.00 H new ATOM 1043 N GLY A 66 8.985 9.124 8.158 1.00 0.00 N ATOM 1044 CA GLY A 66 10.329 9.255 8.695 1.00 0.00 C ATOM 1045 C GLY A 66 11.223 10.055 7.746 1.00 0.00 C ATOM 1046 O GLY A 66 11.300 11.279 7.843 1.00 0.00 O ATOM 0 H GLY A 66 8.657 8.163 8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.290 9.749 9.666 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.758 8.266 8.857 1.00 0.00 H new ATOM 1050 N GLY A 67 11.877 9.330 6.850 1.00 0.00 N ATOM 1051 CA GLY A 67 12.763 9.956 5.883 1.00 0.00 C ATOM 1052 C GLY A 67 13.074 9.005 4.727 1.00 0.00 C ATOM 1053 O GLY A 67 14.102 9.139 4.066 1.00 0.00 O ATOM 0 H GLY A 67 11.811 8.315 6.773 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.301 10.865 5.497 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.690 10.253 6.373 1.00 0.00 H new ATOM 1057 N THR A 68 12.165 8.062 4.517 1.00 0.00 N ATOM 1058 CA THR A 68 12.329 7.088 3.452 1.00 0.00 C ATOM 1059 C THR A 68 11.437 7.445 2.262 1.00 0.00 C ATOM 1060 O THR A 68 10.496 8.225 2.398 1.00 0.00 O ATOM 1061 CB THR A 68 12.043 5.701 4.031 1.00 0.00 C ATOM 1062 OG1 THR A 68 13.146 5.453 4.900 1.00 0.00 O ATOM 1063 CG2 THR A 68 12.142 4.595 2.979 1.00 0.00 C ATOM 0 H THR A 68 11.313 7.953 5.067 1.00 0.00 H new ATOM 0 HA THR A 68 13.349 7.091 3.067 1.00 0.00 H new ATOM 0 HB THR A 68 11.047 5.692 4.475 1.00 0.00 H new ATOM 0 HG1 THR A 68 12.928 5.767 5.803 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.930 3.632 3.443 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.419 4.782 2.185 1.00 0.00 H new ATOM 0 HG23 THR A 68 13.148 4.582 2.558 1.00 0.00 H new ATOM 1071 N ALA A 69 11.765 6.858 1.121 1.00 0.00 N ATOM 1072 CA ALA A 69 11.004 7.103 -0.094 1.00 0.00 C ATOM 1073 C ALA A 69 9.985 5.979 -0.289 1.00 0.00 C ATOM 1074 O ALA A 69 9.861 5.096 0.558 1.00 0.00 O ATOM 1075 CB ALA A 69 11.964 7.233 -1.278 1.00 0.00 C ATOM 0 H ALA A 69 12.548 6.213 1.011 1.00 0.00 H new ATOM 0 HA ALA A 69 10.450 8.039 -0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.395 7.417 -2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.647 8.064 -1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.535 6.311 -1.386 1.00 0.00 H new ATOM 1081 N PRO A 70 9.263 6.051 -1.439 1.00 0.00 N ATOM 1082 CA PRO A 70 8.259 5.050 -1.757 1.00 0.00 C ATOM 1083 C PRO A 70 8.912 3.741 -2.207 1.00 0.00 C ATOM 1084 O PRO A 70 8.462 2.659 -1.836 1.00 0.00 O ATOM 1085 CB PRO A 70 7.397 5.686 -2.834 1.00 0.00 C ATOM 1086 CG PRO A 70 8.222 6.826 -3.409 1.00 0.00 C ATOM 1087 CD PRO A 70 9.384 7.083 -2.465 1.00 0.00 C ATOM 0 HA PRO A 70 7.654 4.772 -0.894 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.140 4.962 -3.607 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.459 6.054 -2.417 1.00 0.00 H new ATOM 0 HG2 PRO A 70 8.588 6.569 -4.403 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.612 7.723 -3.516 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.339 7.014 -2.985 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.328 8.081 -2.031 1.00 0.00 H new ATOM 1095 N LYS A 71 9.964 3.885 -3.000 1.00 0.00 N ATOM 1096 CA LYS A 71 10.683 2.728 -3.506 1.00 0.00 C ATOM 1097 C LYS A 71 11.820 2.380 -2.544 1.00 0.00 C ATOM 1098 O LYS A 71 12.942 2.113 -2.973 1.00 0.00 O ATOM 1099 CB LYS A 71 11.146 2.971 -4.944 1.00 0.00 C ATOM 1100 CG LYS A 71 12.428 3.806 -4.973 1.00 0.00 C ATOM 1101 CD LYS A 71 12.450 4.735 -6.188 1.00 0.00 C ATOM 1102 CE LYS A 71 12.611 6.194 -5.759 1.00 0.00 C ATOM 1103 NZ LYS A 71 13.724 6.832 -6.498 1.00 0.00 N ATOM 0 H LYS A 71 10.335 4.785 -3.304 1.00 0.00 H new ATOM 0 HA LYS A 71 10.025 1.860 -3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.318 2.016 -5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.361 3.483 -5.501 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.503 4.395 -4.059 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.295 3.146 -4.999 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.269 4.454 -6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.527 4.619 -6.756 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.685 6.738 -5.944 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.802 6.245 -4.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.820 7.822 -6.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.609 6.322 -6.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.526 6.800 -7.519 1.00 0.00 H new ATOM 1117 N ASP A 72 11.493 2.395 -1.260 1.00 0.00 N ATOM 1118 CA ASP A 72 12.473 2.084 -0.234 1.00 0.00 C ATOM 1119 C ASP A 72 11.750 1.602 1.027 1.00 0.00 C ATOM 1120 O ASP A 72 12.192 0.655 1.675 1.00 0.00 O ATOM 1121 CB ASP A 72 13.294 3.320 0.136 1.00 0.00 C ATOM 1122 CG ASP A 72 14.553 3.536 -0.706 1.00 0.00 C ATOM 1123 OD1 ASP A 72 15.495 2.733 -0.535 1.00 0.00 O ATOM 1124 OD2 ASP A 72 14.543 4.499 -1.503 1.00 0.00 O ATOM 0 H ASP A 72 10.562 2.618 -0.907 1.00 0.00 H new ATOM 0 HA ASP A 72 13.137 1.313 -0.625 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.658 4.201 0.044 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.584 3.244 1.184 1.00 0.00 H new ATOM 1130 N VAL A 73 10.652 2.276 1.334 1.00 0.00 N ATOM 1131 CA VAL A 73 9.864 1.929 2.505 1.00 0.00 C ATOM 1132 C VAL A 73 9.801 0.405 2.638 1.00 0.00 C ATOM 1133 O VAL A 73 10.650 -0.199 3.292 1.00 0.00 O ATOM 1134 CB VAL A 73 8.482 2.578 2.417 1.00 0.00 C ATOM 1135 CG1 VAL A 73 7.527 1.976 3.450 1.00 0.00 C ATOM 1136 CG2 VAL A 73 8.578 4.097 2.579 1.00 0.00 C ATOM 0 H VAL A 73 10.289 3.061 0.793 1.00 0.00 H new ATOM 0 HA VAL A 73 10.333 2.316 3.410 1.00 0.00 H new ATOM 0 HB VAL A 73 8.077 2.372 1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.551 2.455 3.366 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.423 0.906 3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.926 2.137 4.452 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.582 4.534 2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.013 4.333 3.550 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.208 4.508 1.790 1.00 0.00 H new ATOM 1146 N CYS A 74 8.789 -0.171 2.009 1.00 0.00 N ATOM 1147 CA CYS A 74 8.604 -1.611 2.049 1.00 0.00 C ATOM 1148 C CYS A 74 9.979 -2.274 1.942 1.00 0.00 C ATOM 1149 O CYS A 74 10.364 -3.056 2.810 1.00 0.00 O ATOM 1150 CB CYS A 74 7.653 -2.091 0.951 1.00 0.00 C ATOM 1151 SG CYS A 74 7.697 -1.103 -0.589 1.00 0.00 S ATOM 0 H CYS A 74 8.087 0.334 1.468 1.00 0.00 H new ATOM 0 HA CYS A 74 8.136 -1.894 2.992 1.00 0.00 H new ATOM 0 HB2 CYS A 74 7.893 -3.126 0.709 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.636 -2.083 1.342 1.00 0.00 H new ATOM 1156 N THR A 75 10.681 -1.938 0.870 1.00 0.00 N ATOM 1157 CA THR A 75 12.004 -2.491 0.638 1.00 0.00 C ATOM 1158 C THR A 75 12.732 -2.708 1.967 1.00 0.00 C ATOM 1159 O THR A 75 12.780 -3.825 2.479 1.00 0.00 O ATOM 1160 CB THR A 75 12.748 -1.555 -0.316 1.00 0.00 C ATOM 1161 OG1 THR A 75 12.036 -1.677 -1.545 1.00 0.00 O ATOM 1162 CG2 THR A 75 14.155 -2.055 -0.649 1.00 0.00 C ATOM 0 H THR A 75 10.358 -1.289 0.152 1.00 0.00 H new ATOM 0 HA THR A 75 11.945 -3.474 0.171 1.00 0.00 H new ATOM 0 HB THR A 75 12.812 -0.561 0.127 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.450 -1.101 -2.221 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.639 -1.354 -1.329 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.740 -2.133 0.268 1.00 0.00 H new ATOM 0 HG23 THR A 75 14.090 -3.034 -1.123 1.00 0.00 H new ATOM 1170 N LYS A 76 13.281 -1.620 2.488 1.00 0.00 N ATOM 1171 CA LYS A 76 14.003 -1.677 3.748 1.00 0.00 C ATOM 1172 C LYS A 76 13.111 -2.311 4.815 1.00 0.00 C ATOM 1173 O LYS A 76 13.606 -2.875 5.789 1.00 0.00 O ATOM 1174 CB LYS A 76 14.525 -0.289 4.129 1.00 0.00 C ATOM 1175 CG LYS A 76 15.336 -0.346 5.425 1.00 0.00 C ATOM 1176 CD LYS A 76 14.793 0.645 6.455 1.00 0.00 C ATOM 1177 CE LYS A 76 15.344 0.344 7.850 1.00 0.00 C ATOM 1178 NZ LYS A 76 14.247 -0.024 8.773 1.00 0.00 N ATOM 0 H LYS A 76 13.240 -0.695 2.061 1.00 0.00 H new ATOM 0 HA LYS A 76 14.885 -2.310 3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.146 0.104 3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.688 0.398 4.250 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.304 -1.356 5.834 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.381 -0.121 5.214 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.063 1.661 6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.704 0.597 6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.068 -0.469 7.794 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.873 1.216 8.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.639 -0.225 9.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.571 0.763 8.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.759 -0.869 8.413 1.00 0.00 H new ATOM 1192 N LEU A 77 11.809 -2.198 4.596 1.00 0.00 N ATOM 1193 CA LEU A 77 10.841 -2.755 5.527 1.00 0.00 C ATOM 1194 C LEU A 77 10.727 -4.263 5.297 1.00 0.00 C ATOM 1195 O LEU A 77 9.914 -4.932 5.933 1.00 0.00 O ATOM 1196 CB LEU A 77 9.508 -2.014 5.422 1.00 0.00 C ATOM 1197 CG LEU A 77 9.250 -0.942 6.484 1.00 0.00 C ATOM 1198 CD1 LEU A 77 9.515 -1.487 7.888 1.00 0.00 C ATOM 1199 CD2 LEU A 77 10.062 0.321 6.196 1.00 0.00 C ATOM 0 H LEU A 77 11.401 -1.729 3.787 1.00 0.00 H new ATOM 0 HA LEU A 77 11.177 -2.614 6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.452 -1.545 4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.703 -2.747 5.471 1.00 0.00 H new ATOM 0 HG LEU A 77 8.197 -0.664 6.441 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.324 -0.706 8.624 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.857 -2.334 8.080 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.553 -1.810 7.963 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.860 1.066 6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.125 0.078 6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.781 0.720 5.221 1.00 0.00 H new ATOM 1211 N ASN A 78 11.553 -4.754 4.385 1.00 0.00 N ATOM 1212 CA ASN A 78 11.555 -6.171 4.062 1.00 0.00 C ATOM 1213 C ASN A 78 10.193 -6.559 3.480 1.00 0.00 C ATOM 1214 O ASN A 78 9.894 -7.742 3.328 1.00 0.00 O ATOM 1215 CB ASN A 78 11.794 -7.020 5.312 1.00 0.00 C ATOM 1216 CG ASN A 78 13.072 -7.850 5.175 1.00 0.00 C ATOM 1217 OD1 ASN A 78 13.840 -7.704 4.239 1.00 0.00 O ATOM 1218 ND2 ASN A 78 13.257 -8.726 6.158 1.00 0.00 N ATOM 0 H ASN A 78 12.226 -4.196 3.859 1.00 0.00 H new ATOM 0 HA ASN A 78 12.355 -6.352 3.344 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.868 -6.373 6.186 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.943 -7.681 5.475 1.00 0.00 H new ATOM 0 HD21 ASN A 78 14.081 -9.327 6.158 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.574 -8.797 6.913 1.00 0.00 H new ATOM 1225 N GLU A 79 9.406 -5.539 3.172 1.00 0.00 N ATOM 1226 CA GLU A 79 8.083 -5.758 2.611 1.00 0.00 C ATOM 1227 C GLU A 79 8.163 -5.846 1.085 1.00 0.00 C ATOM 1228 O GLU A 79 7.315 -6.472 0.451 1.00 0.00 O ATOM 1229 CB GLU A 79 7.113 -4.659 3.047 1.00 0.00 C ATOM 1230 CG GLU A 79 5.782 -5.254 3.508 1.00 0.00 C ATOM 1231 CD GLU A 79 5.082 -5.987 2.362 1.00 0.00 C ATOM 1232 OE1 GLU A 79 5.228 -5.516 1.213 1.00 0.00 O ATOM 1233 OE2 GLU A 79 4.418 -7.003 2.660 1.00 0.00 O ATOM 0 H GLU A 79 9.658 -4.559 3.300 1.00 0.00 H new ATOM 0 HA GLU A 79 7.700 -6.705 2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.556 -4.078 3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.941 -3.972 2.219 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.955 -5.944 4.334 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.136 -4.461 3.885 1.00 0.00 H new ATOM 1241 N CYS A 80 9.188 -5.210 0.539 1.00 0.00 N ATOM 1242 CA CYS A 80 9.389 -5.208 -0.899 1.00 0.00 C ATOM 1243 C CYS A 80 10.743 -5.857 -1.197 1.00 0.00 C ATOM 1244 O CYS A 80 11.744 -5.532 -0.561 1.00 0.00 O ATOM 1245 CB CYS A 80 9.293 -3.796 -1.483 1.00 0.00 C ATOM 1246 SG CYS A 80 7.716 -3.423 -2.332 1.00 0.00 S ATOM 0 H CYS A 80 9.889 -4.692 1.068 1.00 0.00 H new ATOM 0 HA CYS A 80 8.597 -5.784 -1.379 1.00 0.00 H new ATOM 0 HB2 CYS A 80 9.436 -3.075 -0.678 1.00 0.00 H new ATOM 0 HB3 CYS A 80 10.112 -3.653 -2.188 1.00 0.00 H new ATOM 1251 N PRO A 81 10.729 -6.786 -2.188 1.00 0.00 N ATOM 1252 CA PRO A 81 9.499 -7.113 -2.891 1.00 0.00 C ATOM 1253 C PRO A 81 8.583 -7.977 -2.021 1.00 0.00 C ATOM 1254 O PRO A 81 7.782 -8.753 -2.539 1.00 0.00 O ATOM 1255 CB PRO A 81 9.947 -7.816 -4.163 1.00 0.00 C ATOM 1256 CG PRO A 81 11.376 -8.270 -3.906 1.00 0.00 C ATOM 1257 CD PRO A 81 11.878 -7.550 -2.666 1.00 0.00 C ATOM 0 HA PRO A 81 8.903 -6.232 -3.128 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.302 -8.665 -4.388 1.00 0.00 H new ATOM 0 HB3 PRO A 81 9.899 -7.143 -5.019 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.413 -9.350 -3.762 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.009 -8.041 -4.763 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.225 -8.256 -1.912 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.718 -6.896 -2.901 1.00 0.00 H new TER 1265 PRO A 81