USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 785 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 80 CYS SG : rot 180:sc= 0.0799 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0.0802 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 51:sc= 0.396 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 150:sc= -0.134 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.331 USER MOD Single : A 27 HIS : no HE2:sc= -1.36! C(o=-1.4!,f=-6.5!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc=-0.00203 X(o=-0.002,f=0) USER MOD Single : A 40 SER OG : rot 53:sc= 1.2 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 48 ASN : amide:sc= -0.0658 K(o=-0.066,f=-0.9) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 55 ASN : amide:sc= -0.0205 X(o=-0.021,f=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.0433 K(o=-0.043,f=-1.4) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc=-0.00426 X(o=-0.0043,f=-0.095) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= -0.874 (180deg=-0.874) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 170:sc= -0.116 USER MOD Single : A 100 GLN : amide:sc=-0.00441 K(o=-0.0044,f=-0.76) USER MOD Single : A 106 GLN : amide:sc= -0.3 K(o=-0.3,f=-1.9!) USER MOD Single : A 107 ASN : amide:sc=-0.00177 X(o=-0.0018,f=0) USER MOD Single : A 108 SER OG : rot -150:sc= -0.168 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0296 USER MOD Single : A 115 SER OG : rot -130:sc= -1.13 USER MOD Single : A 117 MET CE :methyl -152:sc= -8.66! (180deg=-10.8!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0.0498 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.881 3.904 10.469 1.00 0.00 N ATOM 2 CA GLY A 1 -25.822 2.456 10.582 1.00 0.00 C ATOM 3 C GLY A 1 -24.955 2.033 11.770 1.00 0.00 C ATOM 4 O GLY A 1 -25.464 1.494 12.752 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.475 4.165 9.656 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.289 4.304 11.338 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.921 4.281 10.332 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.829 2.056 10.701 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.417 2.032 9.663 1.00 0.00 H new ATOM 8 N SER A 2 -23.663 2.294 11.641 1.00 0.00 N ATOM 9 CA SER A 2 -22.722 1.947 12.692 1.00 0.00 C ATOM 10 C SER A 2 -22.848 0.462 13.038 1.00 0.00 C ATOM 11 O SER A 2 -23.667 0.081 13.872 1.00 0.00 O ATOM 12 CB SER A 2 -22.950 2.802 13.941 1.00 0.00 C ATOM 13 OG SER A 2 -21.736 3.054 14.644 1.00 0.00 O ATOM 0 H SER A 2 -23.246 2.742 10.825 1.00 0.00 H new ATOM 0 HA SER A 2 -21.714 2.146 12.327 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.406 3.749 13.654 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.654 2.297 14.603 1.00 0.00 H new ATOM 0 HG SER A 2 -21.923 3.604 15.433 1.00 0.00 H new ATOM 18 N SER A 3 -22.022 -0.338 12.377 1.00 0.00 N ATOM 19 CA SER A 3 -22.031 -1.774 12.604 1.00 0.00 C ATOM 20 C SER A 3 -20.906 -2.436 11.805 1.00 0.00 C ATOM 21 O SER A 3 -20.386 -1.850 10.856 1.00 0.00 O ATOM 22 CB SER A 3 -23.382 -2.383 12.223 1.00 0.00 C ATOM 23 OG SER A 3 -23.607 -2.347 10.817 1.00 0.00 O ATOM 0 H SER A 3 -21.343 -0.019 11.685 1.00 0.00 H new ATOM 0 HA SER A 3 -21.869 -1.954 13.667 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.425 -3.415 12.571 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.180 -1.842 12.732 1.00 0.00 H new ATOM 0 HG SER A 3 -24.479 -2.746 10.615 1.00 0.00 H new ATOM 28 N GLY A 4 -20.563 -3.647 12.219 1.00 0.00 N ATOM 29 CA GLY A 4 -19.510 -4.395 11.555 1.00 0.00 C ATOM 30 C GLY A 4 -19.401 -5.810 12.123 1.00 0.00 C ATOM 31 O GLY A 4 -20.143 -6.178 13.032 1.00 0.00 O ATOM 0 H GLY A 4 -20.996 -4.129 13.007 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.713 -4.443 10.485 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.559 -3.876 11.676 1.00 0.00 H new ATOM 35 N SER A 5 -18.467 -6.568 11.565 1.00 0.00 N ATOM 36 CA SER A 5 -18.251 -7.936 12.005 1.00 0.00 C ATOM 37 C SER A 5 -16.985 -8.500 11.357 1.00 0.00 C ATOM 38 O SER A 5 -16.434 -7.898 10.436 1.00 0.00 O ATOM 39 CB SER A 5 -19.456 -8.818 11.675 1.00 0.00 C ATOM 40 OG SER A 5 -20.278 -9.048 12.815 1.00 0.00 O ATOM 0 H SER A 5 -17.852 -6.260 10.812 1.00 0.00 H new ATOM 0 HA SER A 5 -18.126 -7.931 13.088 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.048 -8.345 10.891 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.109 -9.773 11.280 1.00 0.00 H new ATOM 0 HG SER A 5 -20.490 -8.192 13.243 1.00 0.00 H new ATOM 45 N SER A 6 -16.562 -9.650 11.861 1.00 0.00 N ATOM 46 CA SER A 6 -15.372 -10.302 11.342 1.00 0.00 C ATOM 47 C SER A 6 -15.661 -11.779 11.071 1.00 0.00 C ATOM 48 O SER A 6 -16.620 -12.336 11.604 1.00 0.00 O ATOM 49 CB SER A 6 -14.198 -10.161 12.315 1.00 0.00 C ATOM 50 OG SER A 6 -12.965 -9.943 11.634 1.00 0.00 O ATOM 0 H SER A 6 -17.022 -10.147 12.624 1.00 0.00 H new ATOM 0 HA SER A 6 -15.095 -9.815 10.407 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.388 -9.331 12.995 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.122 -11.062 12.924 1.00 0.00 H new ATOM 0 HG SER A 6 -12.241 -9.856 12.288 1.00 0.00 H new ATOM 55 N GLY A 7 -14.815 -12.372 10.243 1.00 0.00 N ATOM 56 CA GLY A 7 -14.966 -13.775 9.893 1.00 0.00 C ATOM 57 C GLY A 7 -14.837 -13.981 8.383 1.00 0.00 C ATOM 58 O GLY A 7 -15.797 -13.781 7.641 1.00 0.00 O ATOM 0 H GLY A 7 -14.021 -11.906 9.803 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.210 -14.366 10.410 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.938 -14.135 10.231 1.00 0.00 H new ATOM 62 N GLY A 8 -13.642 -14.380 7.973 1.00 0.00 N ATOM 63 CA GLY A 8 -13.374 -14.617 6.565 1.00 0.00 C ATOM 64 C GLY A 8 -12.058 -13.961 6.140 1.00 0.00 C ATOM 65 O GLY A 8 -11.143 -14.641 5.679 1.00 0.00 O ATOM 0 H GLY A 8 -12.848 -14.545 8.592 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.328 -15.689 6.375 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.193 -14.222 5.964 1.00 0.00 H new ATOM 69 N PRO A 9 -12.004 -12.614 6.314 1.00 0.00 N ATOM 70 CA PRO A 9 -10.816 -11.859 5.953 1.00 0.00 C ATOM 71 C PRO A 9 -9.700 -12.070 6.979 1.00 0.00 C ATOM 72 O PRO A 9 -9.766 -12.992 7.792 1.00 0.00 O ATOM 73 CB PRO A 9 -11.279 -10.414 5.870 1.00 0.00 C ATOM 74 CG PRO A 9 -12.591 -10.350 6.635 1.00 0.00 C ATOM 75 CD PRO A 9 -13.070 -11.775 6.857 1.00 0.00 C ATOM 0 HA PRO A 9 -10.385 -12.181 5.005 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.540 -9.742 6.306 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.417 -10.107 4.833 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.452 -9.841 7.589 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.333 -9.781 6.074 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.233 -11.978 7.916 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.016 -11.958 6.348 1.00 0.00 H new ATOM 80 N LYS A 10 -8.702 -11.202 6.908 1.00 0.00 N ATOM 81 CA LYS A 10 -7.574 -11.282 7.820 1.00 0.00 C ATOM 82 C LYS A 10 -7.289 -9.895 8.394 1.00 0.00 C ATOM 83 O LYS A 10 -7.404 -8.891 7.692 1.00 0.00 O ATOM 84 CB LYS A 10 -6.370 -11.921 7.126 1.00 0.00 C ATOM 85 CG LYS A 10 -5.111 -11.798 7.989 1.00 0.00 C ATOM 86 CD LYS A 10 -4.889 -13.064 8.819 1.00 0.00 C ATOM 87 CE LYS A 10 -3.396 -13.372 8.961 1.00 0.00 C ATOM 88 NZ LYS A 10 -3.190 -14.543 9.840 1.00 0.00 N ATOM 0 H LYS A 10 -8.651 -10.439 6.233 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.809 -11.933 8.662 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.577 -12.972 6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.203 -11.440 6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.245 -11.620 7.352 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.202 -10.937 8.651 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.334 -12.939 9.806 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.394 -13.906 8.347 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.964 -13.566 7.979 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.877 -12.506 9.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.172 -14.738 9.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.585 -14.344 10.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.668 -15.372 9.432 1.00 0.00 H new ATOM 98 N THR A 11 -6.921 -9.879 9.667 1.00 0.00 N ATOM 99 CA THR A 11 -6.618 -8.629 10.344 1.00 0.00 C ATOM 100 C THR A 11 -5.248 -8.708 11.023 1.00 0.00 C ATOM 101 O THR A 11 -4.897 -9.735 11.601 1.00 0.00 O ATOM 102 CB THR A 11 -7.761 -8.329 11.317 1.00 0.00 C ATOM 103 OG1 THR A 11 -8.912 -8.234 10.480 1.00 0.00 O ATOM 104 CG2 THR A 11 -7.644 -6.940 11.948 1.00 0.00 C ATOM 0 H THR A 11 -6.826 -10.712 10.248 1.00 0.00 H new ATOM 0 HA THR A 11 -6.548 -7.803 9.636 1.00 0.00 H new ATOM 0 HB THR A 11 -7.777 -9.084 12.103 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.701 -8.043 11.029 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.479 -6.778 12.629 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.707 -6.869 12.500 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.663 -6.182 11.165 1.00 0.00 H new ATOM 112 N VAL A 12 -4.514 -7.610 10.930 1.00 0.00 N ATOM 113 CA VAL A 12 -3.191 -7.543 11.527 1.00 0.00 C ATOM 114 C VAL A 12 -2.957 -6.136 12.081 1.00 0.00 C ATOM 115 O VAL A 12 -3.045 -5.153 11.346 1.00 0.00 O ATOM 116 CB VAL A 12 -2.134 -7.965 10.506 1.00 0.00 C ATOM 117 CG1 VAL A 12 -1.815 -9.457 10.631 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.574 -7.618 9.082 1.00 0.00 C ATOM 0 H VAL A 12 -4.810 -6.760 10.451 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.114 -8.239 12.362 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.223 -7.407 10.720 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.061 -9.731 9.893 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.437 -9.666 11.632 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.720 -10.038 10.457 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.803 -7.929 8.377 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.506 -8.135 8.853 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.727 -6.542 9.000 1.00 0.00 H new ATOM 128 N THR A 13 -2.665 -6.084 13.373 1.00 0.00 N ATOM 129 CA THR A 13 -2.418 -4.814 14.034 1.00 0.00 C ATOM 130 C THR A 13 -0.917 -4.540 14.119 1.00 0.00 C ATOM 131 O THR A 13 -0.108 -5.464 14.048 1.00 0.00 O ATOM 132 CB THR A 13 -3.108 -4.849 15.399 1.00 0.00 C ATOM 133 OG1 THR A 13 -4.455 -5.205 15.098 1.00 0.00 O ATOM 134 CG2 THR A 13 -3.223 -3.463 16.034 1.00 0.00 C ATOM 0 H THR A 13 -2.594 -6.901 13.979 1.00 0.00 H new ATOM 0 HA THR A 13 -2.836 -3.984 13.464 1.00 0.00 H new ATOM 0 HB THR A 13 -2.555 -5.509 16.067 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.974 -5.252 15.928 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.720 -3.546 17.001 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.227 -3.043 16.173 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.804 -2.811 15.382 1.00 0.00 H new ATOM 142 N LEU A 14 -0.587 -3.265 14.271 1.00 0.00 N ATOM 143 CA LEU A 14 0.805 -2.859 14.367 1.00 0.00 C ATOM 144 C LEU A 14 0.922 -1.689 15.347 1.00 0.00 C ATOM 145 O LEU A 14 -0.075 -1.054 15.685 1.00 0.00 O ATOM 146 CB LEU A 14 1.372 -2.556 12.979 1.00 0.00 C ATOM 147 CG LEU A 14 1.202 -3.658 11.932 1.00 0.00 C ATOM 148 CD1 LEU A 14 -0.140 -3.527 11.209 1.00 0.00 C ATOM 149 CD2 LEU A 14 2.380 -3.672 10.955 1.00 0.00 C ATOM 0 H LEU A 14 -1.260 -2.500 14.330 1.00 0.00 H new ATOM 0 HA LEU A 14 1.413 -3.672 14.764 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.897 -1.649 12.604 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.435 -2.340 13.082 1.00 0.00 H new ATOM 0 HG LEU A 14 1.198 -4.619 12.446 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.235 -4.323 10.470 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.952 -3.605 11.932 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.191 -2.560 10.709 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.235 -4.465 10.221 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.441 -2.711 10.444 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.305 -3.850 11.503 1.00 0.00 H new ATOM 160 N LYS A 15 2.151 -1.440 15.777 1.00 0.00 N ATOM 161 CA LYS A 15 2.412 -0.359 16.712 1.00 0.00 C ATOM 162 C LYS A 15 3.455 0.587 16.112 1.00 0.00 C ATOM 163 O LYS A 15 4.508 0.144 15.655 1.00 0.00 O ATOM 164 CB LYS A 15 2.803 -0.917 18.082 1.00 0.00 C ATOM 165 CG LYS A 15 1.716 -1.847 18.624 1.00 0.00 C ATOM 166 CD LYS A 15 1.343 -1.473 20.062 1.00 0.00 C ATOM 167 CE LYS A 15 0.979 -2.719 20.874 1.00 0.00 C ATOM 168 NZ LYS A 15 0.704 -2.355 22.283 1.00 0.00 N ATOM 0 H LYS A 15 2.977 -1.969 15.495 1.00 0.00 H new ATOM 0 HA LYS A 15 1.508 0.227 16.879 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.745 -1.460 18.003 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.966 -0.096 18.780 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.832 -1.789 17.988 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.065 -2.879 18.591 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.178 -0.956 20.536 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.502 -0.780 20.055 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.104 -3.201 20.439 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.795 -3.440 20.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.459 -3.211 22.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.549 -1.915 22.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.089 -1.684 22.320 1.00 0.00 H new ATOM 178 N ARG A 16 3.127 1.869 16.134 1.00 0.00 N ATOM 179 CA ARG A 16 4.021 2.880 15.598 1.00 0.00 C ATOM 180 C ARG A 16 5.454 2.624 16.071 1.00 0.00 C ATOM 181 O ARG A 16 5.755 2.759 17.256 1.00 0.00 O ATOM 182 CB ARG A 16 3.592 4.284 16.033 1.00 0.00 C ATOM 183 CG ARG A 16 4.550 5.344 15.487 1.00 0.00 C ATOM 184 CD ARG A 16 3.779 6.501 14.847 1.00 0.00 C ATOM 185 NE ARG A 16 4.715 7.577 14.456 1.00 0.00 N ATOM 186 CZ ARG A 16 4.334 8.757 13.948 1.00 0.00 C ATOM 187 NH1 ARG A 16 3.032 9.019 13.767 1.00 0.00 N ATOM 188 NH2 ARG A 16 5.254 9.676 13.621 1.00 0.00 N ATOM 0 H ARG A 16 2.253 2.232 16.515 1.00 0.00 H new ATOM 0 HA ARG A 16 3.975 2.820 14.511 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.581 4.485 15.679 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.565 4.339 17.121 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.178 5.722 16.294 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.215 4.894 14.750 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.234 6.146 13.972 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.039 6.888 15.548 1.00 0.00 H new ATOM 0 HE ARG A 16 5.714 7.410 14.581 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.332 8.320 14.016 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.741 9.917 13.380 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.245 9.477 13.759 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.963 10.574 13.234 1.00 0.00 H new ATOM 199 N THR A 17 6.301 2.260 15.119 1.00 0.00 N ATOM 200 CA THR A 17 7.695 1.985 15.423 1.00 0.00 C ATOM 201 C THR A 17 8.612 2.794 14.504 1.00 0.00 C ATOM 202 O THR A 17 8.151 3.677 13.782 1.00 0.00 O ATOM 203 CB THR A 17 7.912 0.474 15.319 1.00 0.00 C ATOM 204 OG1 THR A 17 7.126 0.087 14.195 1.00 0.00 O ATOM 205 CG2 THR A 17 7.288 -0.289 16.490 1.00 0.00 C ATOM 0 H THR A 17 6.049 2.149 14.137 1.00 0.00 H new ATOM 0 HA THR A 17 7.947 2.296 16.437 1.00 0.00 H new ATOM 0 HB THR A 17 8.981 0.263 15.276 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.536 -0.690 13.761 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.471 -1.357 16.367 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.734 0.051 17.425 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.214 -0.105 16.513 1.00 0.00 H new ATOM 213 N SER A 18 9.894 2.464 14.560 1.00 0.00 N ATOM 214 CA SER A 18 10.880 3.150 13.743 1.00 0.00 C ATOM 215 C SER A 18 10.448 3.128 12.274 1.00 0.00 C ATOM 216 O SER A 18 9.346 2.687 11.955 1.00 0.00 O ATOM 217 CB SER A 18 12.262 2.516 13.898 1.00 0.00 C ATOM 218 OG SER A 18 13.092 3.256 14.791 1.00 0.00 O ATOM 0 H SER A 18 10.273 1.730 15.159 1.00 0.00 H new ATOM 0 HA SER A 18 10.945 4.184 14.082 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.154 1.496 14.265 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.744 2.454 12.922 1.00 0.00 H new ATOM 0 HG SER A 18 13.966 2.818 14.865 1.00 0.00 H new ATOM 223 N GLN A 19 11.340 3.608 11.421 1.00 0.00 N ATOM 224 CA GLN A 19 11.066 3.648 9.994 1.00 0.00 C ATOM 225 C GLN A 19 10.551 2.289 9.515 1.00 0.00 C ATOM 226 O GLN A 19 11.327 1.351 9.346 1.00 0.00 O ATOM 227 CB GLN A 19 12.309 4.073 9.210 1.00 0.00 C ATOM 228 CG GLN A 19 12.370 5.594 9.059 1.00 0.00 C ATOM 229 CD GLN A 19 12.497 5.997 7.589 1.00 0.00 C ATOM 230 OE1 GLN A 19 11.538 6.379 6.939 1.00 0.00 O ATOM 231 NE2 GLN A 19 13.730 5.888 7.103 1.00 0.00 N ATOM 0 H GLN A 19 12.254 3.973 11.690 1.00 0.00 H new ATOM 0 HA GLN A 19 10.291 4.392 9.812 1.00 0.00 H new ATOM 0 HB2 GLN A 19 13.204 3.719 9.721 1.00 0.00 H new ATOM 0 HB3 GLN A 19 12.299 3.607 8.225 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.472 6.041 9.486 1.00 0.00 H new ATOM 0 HG3 GLN A 19 13.218 5.985 9.621 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.488 5.561 7.703 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.918 6.131 6.130 1.00 0.00 H new ATOM 238 N GLY A 20 9.244 2.227 9.308 1.00 0.00 N ATOM 239 CA GLY A 20 8.615 1.000 8.851 1.00 0.00 C ATOM 240 C GLY A 20 7.969 0.248 10.016 1.00 0.00 C ATOM 241 O GLY A 20 8.566 0.116 11.083 1.00 0.00 O ATOM 0 H GLY A 20 8.603 3.008 9.449 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.860 1.232 8.100 1.00 0.00 H new ATOM 0 HA3 GLY A 20 9.358 0.364 8.370 1.00 0.00 H new ATOM 245 N PHE A 21 6.756 -0.226 9.771 1.00 0.00 N ATOM 246 CA PHE A 21 6.023 -0.962 10.787 1.00 0.00 C ATOM 247 C PHE A 21 6.307 -2.463 10.691 1.00 0.00 C ATOM 248 O PHE A 21 5.399 -3.280 10.828 1.00 0.00 O ATOM 249 CB PHE A 21 4.533 -0.719 10.527 1.00 0.00 C ATOM 250 CG PHE A 21 3.993 0.565 11.157 1.00 0.00 C ATOM 251 CD1 PHE A 21 4.469 1.773 10.754 1.00 0.00 C ATOM 252 CD2 PHE A 21 3.034 0.499 12.120 1.00 0.00 C ATOM 253 CE1 PHE A 21 3.968 2.965 11.339 1.00 0.00 C ATOM 254 CE2 PHE A 21 2.533 1.691 12.705 1.00 0.00 C ATOM 255 CZ PHE A 21 3.009 2.899 12.303 1.00 0.00 C ATOM 0 H PHE A 21 6.263 -0.115 8.885 1.00 0.00 H new ATOM 0 HA PHE A 21 6.324 -0.626 11.779 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.364 -0.683 9.451 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.965 -1.566 10.910 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.229 1.826 9.988 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.654 -0.460 12.439 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.347 3.924 11.019 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.773 1.638 13.470 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.627 3.806 12.748 1.00 0.00 H new ATOM 264 N GLY A 22 7.572 -2.779 10.458 1.00 0.00 N ATOM 265 CA GLY A 22 7.988 -4.165 10.342 1.00 0.00 C ATOM 266 C GLY A 22 7.714 -4.705 8.936 1.00 0.00 C ATOM 267 O GLY A 22 7.796 -5.909 8.702 1.00 0.00 O ATOM 0 H GLY A 22 8.323 -2.098 10.346 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.051 -4.249 10.567 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.458 -4.770 11.077 1.00 0.00 H new ATOM 271 N PHE A 23 7.393 -3.786 8.037 1.00 0.00 N ATOM 272 CA PHE A 23 7.107 -4.155 6.661 1.00 0.00 C ATOM 273 C PHE A 23 7.051 -2.917 5.762 1.00 0.00 C ATOM 274 O PHE A 23 7.059 -1.789 6.253 1.00 0.00 O ATOM 275 CB PHE A 23 5.737 -4.836 6.656 1.00 0.00 C ATOM 276 CG PHE A 23 4.562 -3.870 6.498 1.00 0.00 C ATOM 277 CD1 PHE A 23 4.341 -2.909 7.434 1.00 0.00 C ATOM 278 CD2 PHE A 23 3.738 -3.971 5.420 1.00 0.00 C ATOM 279 CE1 PHE A 23 3.249 -2.013 7.288 1.00 0.00 C ATOM 280 CE2 PHE A 23 2.647 -3.074 5.274 1.00 0.00 C ATOM 281 CZ PHE A 23 2.425 -2.113 6.210 1.00 0.00 C ATOM 0 H PHE A 23 7.325 -2.788 8.234 1.00 0.00 H new ATOM 0 HA PHE A 23 7.889 -4.812 6.282 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.707 -5.563 5.845 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.615 -5.391 7.586 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.996 -2.827 8.289 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.914 -4.733 4.675 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.072 -1.252 8.033 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.993 -3.155 4.419 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.596 -1.430 6.098 1.00 0.00 H new ATOM 290 N THR A 24 6.994 -3.171 4.463 1.00 0.00 N ATOM 291 CA THR A 24 6.938 -2.091 3.492 1.00 0.00 C ATOM 292 C THR A 24 6.061 -2.490 2.303 1.00 0.00 C ATOM 293 O THR A 24 5.790 -3.671 2.095 1.00 0.00 O ATOM 294 CB THR A 24 8.370 -1.733 3.097 1.00 0.00 C ATOM 295 OG1 THR A 24 8.216 -0.831 2.005 1.00 0.00 O ATOM 296 CG2 THR A 24 9.127 -2.920 2.496 1.00 0.00 C ATOM 0 H THR A 24 6.985 -4.108 4.060 1.00 0.00 H new ATOM 0 HA THR A 24 6.473 -1.202 3.917 1.00 0.00 H new ATOM 0 HB THR A 24 8.906 -1.367 3.973 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.099 -0.547 1.688 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.139 -2.611 2.233 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.173 -3.729 3.225 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.609 -3.266 1.602 1.00 0.00 H new ATOM 304 N LEU A 25 5.642 -1.481 1.553 1.00 0.00 N ATOM 305 CA LEU A 25 4.802 -1.712 0.390 1.00 0.00 C ATOM 306 C LEU A 25 5.607 -1.431 -0.880 1.00 0.00 C ATOM 307 O LEU A 25 6.777 -1.057 -0.807 1.00 0.00 O ATOM 308 CB LEU A 25 3.510 -0.898 0.492 1.00 0.00 C ATOM 309 CG LEU A 25 2.647 -1.162 1.727 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.519 -2.663 1.996 1.00 0.00 C ATOM 311 CD2 LEU A 25 3.183 -0.405 2.944 1.00 0.00 C ATOM 0 H LEU A 25 5.869 -0.502 1.728 1.00 0.00 H new ATOM 0 HA LEU A 25 4.491 -2.756 0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.769 0.161 0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.909 -1.095 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 25 1.644 -0.784 1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.901 -2.823 2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.057 -3.149 1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.508 -3.088 2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.551 -0.611 3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.202 -0.730 3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.179 0.665 2.738 1.00 0.00 H new ATOM 322 N ARG A 26 4.950 -1.620 -2.014 1.00 0.00 N ATOM 323 CA ARG A 26 5.590 -1.391 -3.298 1.00 0.00 C ATOM 324 C ARG A 26 4.555 -0.959 -4.338 1.00 0.00 C ATOM 325 O ARG A 26 3.361 -0.909 -4.047 1.00 0.00 O ATOM 326 CB ARG A 26 6.303 -2.652 -3.791 1.00 0.00 C ATOM 327 CG ARG A 26 7.707 -2.324 -4.302 1.00 0.00 C ATOM 328 CD ARG A 26 8.658 -2.030 -3.142 1.00 0.00 C ATOM 329 NE ARG A 26 9.967 -1.576 -3.662 1.00 0.00 N ATOM 330 CZ ARG A 26 10.931 -1.034 -2.905 1.00 0.00 C ATOM 331 NH1 ARG A 26 10.738 -0.875 -1.588 1.00 0.00 N ATOM 332 NH2 ARG A 26 12.087 -0.652 -3.464 1.00 0.00 N ATOM 0 H ARG A 26 3.980 -1.930 -2.071 1.00 0.00 H new ATOM 0 HA ARG A 26 6.327 -0.599 -3.164 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.368 -3.378 -2.980 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.721 -3.115 -4.588 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.089 -3.160 -4.887 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.663 -1.462 -4.968 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.229 -1.265 -2.495 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.790 -2.925 -2.534 1.00 0.00 H new ATOM 0 HE ARG A 26 10.147 -1.682 -4.660 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.858 -1.166 -1.163 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.471 -0.463 -1.011 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.234 -0.774 -4.466 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.820 -0.240 -2.888 1.00 0.00 H new ATOM 343 N HIS A 27 5.050 -0.655 -5.530 1.00 0.00 N ATOM 344 CA HIS A 27 4.183 -0.229 -6.614 1.00 0.00 C ATOM 345 C HIS A 27 3.602 1.150 -6.294 1.00 0.00 C ATOM 346 O HIS A 27 2.902 1.316 -5.297 1.00 0.00 O ATOM 347 CB HIS A 27 3.105 -1.277 -6.891 1.00 0.00 C ATOM 348 CG HIS A 27 1.799 -0.700 -7.385 1.00 0.00 C ATOM 349 ND1 HIS A 27 1.023 0.157 -6.625 1.00 0.00 N ATOM 350 CD2 HIS A 27 1.143 -0.865 -8.570 1.00 0.00 C ATOM 351 CE1 HIS A 27 -0.050 0.486 -7.330 1.00 0.00 C ATOM 352 NE2 HIS A 27 0.027 -0.149 -8.535 1.00 0.00 N ATOM 0 H HIS A 27 6.041 -0.696 -5.768 1.00 0.00 H new ATOM 0 HA HIS A 27 4.762 -0.137 -7.533 1.00 0.00 H new ATOM 0 HB2 HIS A 27 3.481 -1.983 -7.631 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.918 -1.842 -5.977 1.00 0.00 H new ATOM 0 HD1 HIS A 27 1.240 0.481 -5.682 1.00 0.00 H new ATOM 0 HD2 HIS A 27 1.476 -1.475 -9.396 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.845 1.141 -7.007 1.00 0.00 H new ATOM 359 N PHE A 28 3.912 2.103 -7.160 1.00 0.00 N ATOM 360 CA PHE A 28 3.429 3.462 -6.983 1.00 0.00 C ATOM 361 C PHE A 28 2.691 3.949 -8.232 1.00 0.00 C ATOM 362 O PHE A 28 2.668 5.145 -8.517 1.00 0.00 O ATOM 363 CB PHE A 28 4.657 4.347 -6.753 1.00 0.00 C ATOM 364 CG PHE A 28 4.516 5.312 -5.574 1.00 0.00 C ATOM 365 CD1 PHE A 28 3.316 5.897 -5.314 1.00 0.00 C ATOM 366 CD2 PHE A 28 5.590 5.584 -4.787 1.00 0.00 C ATOM 367 CE1 PHE A 28 3.185 6.792 -4.219 1.00 0.00 C ATOM 368 CE2 PHE A 28 5.460 6.480 -3.692 1.00 0.00 C ATOM 369 CZ PHE A 28 4.260 7.065 -3.432 1.00 0.00 C ATOM 0 H PHE A 28 4.492 1.961 -7.987 1.00 0.00 H new ATOM 0 HA PHE A 28 2.734 3.504 -6.144 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.525 3.710 -6.586 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.853 4.922 -7.658 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.463 5.681 -5.940 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.543 5.119 -4.994 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.232 7.256 -4.011 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.313 6.696 -3.067 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.161 7.747 -2.600 1.00 0.00 H new ATOM 378 N ILE A 29 2.107 2.996 -8.944 1.00 0.00 N ATOM 379 CA ILE A 29 1.370 3.313 -10.155 1.00 0.00 C ATOM 380 C ILE A 29 0.053 3.998 -9.782 1.00 0.00 C ATOM 381 O ILE A 29 -0.973 3.336 -9.633 1.00 0.00 O ATOM 382 CB ILE A 29 1.190 2.062 -11.016 1.00 0.00 C ATOM 383 CG1 ILE A 29 2.494 1.265 -11.104 1.00 0.00 C ATOM 384 CG2 ILE A 29 0.644 2.421 -12.399 1.00 0.00 C ATOM 385 CD1 ILE A 29 2.381 0.139 -12.134 1.00 0.00 C ATOM 0 H ILE A 29 2.129 2.005 -8.705 1.00 0.00 H new ATOM 0 HA ILE A 29 1.932 4.016 -10.769 1.00 0.00 H new ATOM 0 HB ILE A 29 0.451 1.420 -10.535 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.313 1.930 -11.376 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.735 0.846 -10.127 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.526 1.513 -12.990 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.323 2.913 -12.292 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.340 3.093 -12.902 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.321 -0.411 -12.176 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.577 -0.538 -11.846 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.164 0.563 -13.114 1.00 0.00 H new ATOM 396 N VAL A 30 0.125 5.312 -9.642 1.00 0.00 N ATOM 397 CA VAL A 30 -1.049 6.093 -9.289 1.00 0.00 C ATOM 398 C VAL A 30 -1.678 6.663 -10.562 1.00 0.00 C ATOM 399 O VAL A 30 -1.083 6.597 -11.636 1.00 0.00 O ATOM 400 CB VAL A 30 -0.672 7.174 -8.272 1.00 0.00 C ATOM 401 CG1 VAL A 30 0.145 6.581 -7.123 1.00 0.00 C ATOM 402 CG2 VAL A 30 0.079 8.323 -8.946 1.00 0.00 C ATOM 0 H VAL A 30 0.978 5.857 -9.766 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.798 5.462 -8.810 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.594 7.579 -7.854 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.401 7.368 -6.414 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.442 5.814 -6.617 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.059 6.137 -7.518 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.335 9.077 -8.201 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.991 7.942 -9.405 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.553 8.771 -9.713 1.00 0.00 H new ATOM 412 N TYR A 31 -2.875 7.211 -10.397 1.00 0.00 N ATOM 413 CA TYR A 31 -3.591 7.791 -11.521 1.00 0.00 C ATOM 414 C TYR A 31 -4.562 8.876 -11.048 1.00 0.00 C ATOM 415 O TYR A 31 -5.769 8.769 -11.262 1.00 0.00 O ATOM 416 CB TYR A 31 -4.387 6.647 -12.150 1.00 0.00 C ATOM 417 CG TYR A 31 -3.619 5.867 -13.218 1.00 0.00 C ATOM 418 CD1 TYR A 31 -2.632 4.976 -12.845 1.00 0.00 C ATOM 419 CD2 TYR A 31 -3.910 6.055 -14.553 1.00 0.00 C ATOM 420 CE1 TYR A 31 -1.909 4.243 -13.851 1.00 0.00 C ATOM 421 CE2 TYR A 31 -3.188 5.321 -15.559 1.00 0.00 C ATOM 422 CZ TYR A 31 -2.221 4.451 -15.157 1.00 0.00 C ATOM 423 OH TYR A 31 -1.537 3.757 -16.107 1.00 0.00 O ATOM 0 H TYR A 31 -3.365 7.265 -9.504 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.897 8.251 -12.224 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.696 5.958 -11.364 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -5.296 7.052 -12.594 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.403 4.829 -11.800 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.680 6.754 -14.844 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.135 3.543 -13.574 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.408 5.457 -16.608 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.867 4.006 -16.995 1.00 0.00 H new ATOM 432 N PRO A 32 -3.985 9.921 -10.399 1.00 0.00 N ATOM 433 CA PRO A 32 -4.787 11.023 -9.895 1.00 0.00 C ATOM 434 C PRO A 32 -5.241 11.937 -11.035 1.00 0.00 C ATOM 435 O PRO A 32 -4.719 11.858 -12.145 1.00 0.00 O ATOM 436 CB PRO A 32 -3.895 11.730 -8.886 1.00 0.00 C ATOM 437 CG PRO A 32 -2.477 11.285 -9.201 1.00 0.00 C ATOM 438 CD PRO A 32 -2.559 10.083 -10.128 1.00 0.00 C ATOM 0 HA PRO A 32 -5.712 10.689 -9.424 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.992 12.812 -8.969 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.171 11.463 -7.866 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.920 12.094 -9.673 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.947 11.025 -8.285 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -1.998 10.253 -11.047 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.141 9.192 -9.659 1.00 0.00 H new ATOM 443 N PRO A 33 -6.237 12.807 -10.713 1.00 0.00 N ATOM 444 CA PRO A 33 -6.769 13.734 -11.697 1.00 0.00 C ATOM 445 C PRO A 33 -5.793 14.888 -11.944 1.00 0.00 C ATOM 446 O PRO A 33 -4.634 14.824 -11.538 1.00 0.00 O ATOM 447 CB PRO A 33 -8.099 14.194 -11.126 1.00 0.00 C ATOM 448 CG PRO A 33 -8.051 13.871 -9.641 1.00 0.00 C ATOM 449 CD PRO A 33 -6.880 12.928 -9.408 1.00 0.00 C ATOM 0 HA PRO A 33 -6.909 13.275 -12.676 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.245 15.262 -11.289 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -8.930 13.681 -11.610 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.930 14.782 -9.056 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.984 13.408 -9.320 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.192 13.327 -8.663 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.219 11.959 -9.042 1.00 0.00 H new ATOM 454 N GLU A 34 -6.300 15.915 -12.611 1.00 0.00 N ATOM 455 CA GLU A 34 -5.488 17.081 -12.917 1.00 0.00 C ATOM 456 C GLU A 34 -5.333 17.961 -11.677 1.00 0.00 C ATOM 457 O GLU A 34 -4.219 18.183 -11.204 1.00 0.00 O ATOM 458 CB GLU A 34 -6.087 17.874 -14.081 1.00 0.00 C ATOM 459 CG GLU A 34 -6.498 16.944 -15.225 1.00 0.00 C ATOM 460 CD GLU A 34 -8.020 16.898 -15.374 1.00 0.00 C ATOM 461 OE1 GLU A 34 -8.577 17.923 -15.820 1.00 0.00 O ATOM 462 OE2 GLU A 34 -8.591 15.838 -15.038 1.00 0.00 O ATOM 0 H GLU A 34 -7.262 15.964 -12.948 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.498 16.741 -13.222 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.955 18.436 -13.735 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.360 18.601 -14.442 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.048 17.287 -16.157 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.117 15.940 -15.037 1.00 0.00 H new ATOM 467 N SER A 35 -6.467 18.439 -11.183 1.00 0.00 N ATOM 468 CA SER A 35 -6.471 19.290 -10.006 1.00 0.00 C ATOM 469 C SER A 35 -7.439 18.732 -8.960 1.00 0.00 C ATOM 470 O SER A 35 -7.042 18.447 -7.831 1.00 0.00 O ATOM 471 CB SER A 35 -6.851 20.727 -10.367 1.00 0.00 C ATOM 472 OG SER A 35 -6.923 21.565 -9.217 1.00 0.00 O ATOM 0 H SER A 35 -7.389 18.252 -11.577 1.00 0.00 H new ATOM 0 HA SER A 35 -5.464 19.303 -9.590 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.118 21.131 -11.065 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.814 20.730 -10.879 1.00 0.00 H new ATOM 0 HG SER A 35 -7.166 22.474 -9.490 1.00 0.00 H new ATOM 477 N ALA A 36 -8.690 18.593 -9.373 1.00 0.00 N ATOM 478 CA ALA A 36 -9.719 18.075 -8.487 1.00 0.00 C ATOM 479 C ALA A 36 -9.758 18.919 -7.212 1.00 0.00 C ATOM 480 O ALA A 36 -8.919 19.796 -7.017 1.00 0.00 O ATOM 481 CB ALA A 36 -9.446 16.597 -8.198 1.00 0.00 C ATOM 0 H ALA A 36 -9.015 18.830 -10.310 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.700 18.140 -8.957 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.217 16.208 -7.533 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.455 16.036 -9.132 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.471 16.493 -7.722 1.00 0.00 H new ATOM 487 N ILE A 37 -10.745 18.626 -6.376 1.00 0.00 N ATOM 488 CA ILE A 37 -10.906 19.346 -5.126 1.00 0.00 C ATOM 489 C ILE A 37 -10.066 18.670 -4.040 1.00 0.00 C ATOM 490 O ILE A 37 -10.070 17.445 -3.920 1.00 0.00 O ATOM 491 CB ILE A 37 -12.388 19.473 -4.767 1.00 0.00 C ATOM 492 CG1 ILE A 37 -13.155 20.221 -5.860 1.00 0.00 C ATOM 493 CG2 ILE A 37 -12.567 20.125 -3.395 1.00 0.00 C ATOM 494 CD1 ILE A 37 -14.561 19.645 -6.036 1.00 0.00 C ATOM 0 H ILE A 37 -11.441 17.899 -6.542 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.537 20.367 -5.225 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.810 18.470 -4.705 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.221 21.278 -5.604 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -12.610 20.154 -6.802 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.630 20.203 -3.165 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -12.075 19.517 -2.636 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.124 21.121 -3.405 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -15.084 20.195 -6.819 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.491 18.594 -6.316 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -15.111 19.735 -5.099 1.00 0.00 H new ATOM 505 N GLN A 38 -9.368 19.496 -3.276 1.00 0.00 N ATOM 506 CA GLN A 38 -8.524 18.993 -2.204 1.00 0.00 C ATOM 507 C GLN A 38 -9.327 18.064 -1.291 1.00 0.00 C ATOM 508 O GLN A 38 -8.880 16.962 -0.975 1.00 0.00 O ATOM 509 CB GLN A 38 -7.905 20.144 -1.408 1.00 0.00 C ATOM 510 CG GLN A 38 -6.378 20.051 -1.408 1.00 0.00 C ATOM 511 CD GLN A 38 -5.759 21.191 -2.219 1.00 0.00 C ATOM 512 OE1 GLN A 38 -5.802 22.351 -1.841 1.00 0.00 O ATOM 513 NE2 GLN A 38 -5.183 20.799 -3.353 1.00 0.00 N ATOM 0 H GLN A 38 -9.369 20.511 -3.377 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.708 18.421 -2.646 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.215 21.096 -1.838 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.274 20.122 -0.383 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.008 20.086 -0.383 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.068 19.093 -1.826 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.182 19.812 -3.610 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.742 21.486 -3.965 1.00 0.00 H new ATOM 520 N PHE A 39 -10.496 18.542 -0.893 1.00 0.00 N ATOM 521 CA PHE A 39 -11.364 17.768 -0.022 1.00 0.00 C ATOM 522 C PHE A 39 -12.674 18.510 0.249 1.00 0.00 C ATOM 523 O PHE A 39 -12.736 19.732 0.119 1.00 0.00 O ATOM 524 CB PHE A 39 -10.617 17.577 1.299 1.00 0.00 C ATOM 525 CG PHE A 39 -11.250 16.537 2.227 1.00 0.00 C ATOM 526 CD1 PHE A 39 -11.532 15.291 1.762 1.00 0.00 C ATOM 527 CD2 PHE A 39 -11.530 16.860 3.517 1.00 0.00 C ATOM 528 CE1 PHE A 39 -12.119 14.327 2.623 1.00 0.00 C ATOM 529 CE2 PHE A 39 -12.118 15.897 4.380 1.00 0.00 C ATOM 530 CZ PHE A 39 -12.400 14.651 3.913 1.00 0.00 C ATOM 0 H PHE A 39 -10.863 19.456 -1.158 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.609 16.816 -0.493 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -9.590 17.281 1.084 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.570 18.533 1.820 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.309 15.034 0.737 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -11.305 17.850 3.886 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -12.342 13.337 2.254 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -12.341 16.154 5.405 1.00 0.00 H new ATOM 0 HZ PHE A 39 -12.848 13.918 4.568 1.00 0.00 H new ATOM 539 N SER A 40 -13.686 17.743 0.621 1.00 0.00 N ATOM 540 CA SER A 40 -14.991 18.313 0.913 1.00 0.00 C ATOM 541 C SER A 40 -15.894 17.256 1.550 1.00 0.00 C ATOM 542 O SER A 40 -16.518 16.463 0.849 1.00 0.00 O ATOM 543 CB SER A 40 -15.642 18.874 -0.354 1.00 0.00 C ATOM 544 OG SER A 40 -16.046 17.841 -1.248 1.00 0.00 O ATOM 0 H SER A 40 -13.630 16.730 0.727 1.00 0.00 H new ATOM 0 HA SER A 40 -14.856 19.136 1.615 1.00 0.00 H new ATOM 0 HB2 SER A 40 -16.508 19.476 -0.080 1.00 0.00 H new ATOM 0 HB3 SER A 40 -14.940 19.537 -0.859 1.00 0.00 H new ATOM 0 HG SER A 40 -16.612 17.198 -0.771 1.00 0.00 H new ATOM 549 N TYR A 41 -15.935 17.279 2.874 1.00 0.00 N ATOM 550 CA TYR A 41 -16.751 16.333 3.615 1.00 0.00 C ATOM 551 C TYR A 41 -16.834 16.720 5.093 1.00 0.00 C ATOM 552 O TYR A 41 -15.916 17.336 5.630 1.00 0.00 O ATOM 553 CB TYR A 41 -16.046 14.981 3.493 1.00 0.00 C ATOM 554 CG TYR A 41 -16.642 13.885 4.377 1.00 0.00 C ATOM 555 CD1 TYR A 41 -17.948 13.480 4.186 1.00 0.00 C ATOM 556 CD2 TYR A 41 -15.877 13.301 5.366 1.00 0.00 C ATOM 557 CE1 TYR A 41 -18.510 12.449 5.019 1.00 0.00 C ATOM 558 CE2 TYR A 41 -16.439 12.269 6.198 1.00 0.00 C ATOM 559 CZ TYR A 41 -17.728 11.894 5.983 1.00 0.00 C ATOM 560 OH TYR A 41 -18.259 10.919 6.770 1.00 0.00 O ATOM 0 H TYR A 41 -15.416 17.939 3.453 1.00 0.00 H new ATOM 0 HA TYR A 41 -17.767 16.312 3.221 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -16.085 14.656 2.453 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -14.994 15.107 3.749 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -18.548 13.936 3.412 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -14.856 13.618 5.516 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -19.531 12.123 4.881 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -15.850 11.804 6.975 1.00 0.00 H new ATOM 0 HH TYR A 41 -17.585 10.615 7.413 1.00 0.00 H new ATOM 569 N LYS A 42 -17.946 16.341 5.709 1.00 0.00 N ATOM 570 CA LYS A 42 -18.160 16.641 7.115 1.00 0.00 C ATOM 571 C LYS A 42 -17.453 15.588 7.970 1.00 0.00 C ATOM 572 O LYS A 42 -16.757 14.721 7.443 1.00 0.00 O ATOM 573 CB LYS A 42 -19.656 16.771 7.412 1.00 0.00 C ATOM 574 CG LYS A 42 -20.125 18.216 7.234 1.00 0.00 C ATOM 575 CD LYS A 42 -20.390 18.529 5.760 1.00 0.00 C ATOM 576 CE LYS A 42 -21.563 19.500 5.608 1.00 0.00 C ATOM 577 NZ LYS A 42 -22.117 19.433 4.237 1.00 0.00 N ATOM 0 H LYS A 42 -18.706 15.830 5.261 1.00 0.00 H new ATOM 0 HA LYS A 42 -17.722 17.606 7.370 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -20.221 16.117 6.748 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -19.858 16.442 8.431 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -21.033 18.381 7.814 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -19.369 18.898 7.624 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -19.496 18.960 5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -20.605 17.606 5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -22.340 19.257 6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -21.232 20.516 5.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -22.912 20.098 4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -21.378 19.687 3.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -22.451 18.467 4.044 1.00 0.00 H new ATOM 587 N ASP A 43 -17.655 15.697 9.276 1.00 0.00 N ATOM 588 CA ASP A 43 -17.045 14.765 10.208 1.00 0.00 C ATOM 589 C ASP A 43 -18.139 13.929 10.874 1.00 0.00 C ATOM 590 O ASP A 43 -18.161 12.706 10.738 1.00 0.00 O ATOM 591 CB ASP A 43 -16.283 15.507 11.307 1.00 0.00 C ATOM 592 CG ASP A 43 -15.401 14.623 12.190 1.00 0.00 C ATOM 593 OD1 ASP A 43 -15.898 13.553 12.600 1.00 0.00 O ATOM 594 OD2 ASP A 43 -14.247 15.038 12.438 1.00 0.00 O ATOM 0 H ASP A 43 -18.233 16.417 9.710 1.00 0.00 H new ATOM 0 HA ASP A 43 -16.352 14.134 9.651 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -15.658 16.270 10.843 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -17.002 16.026 11.941 1.00 0.00 H new ATOM 598 N GLU A 44 -19.022 14.620 11.580 1.00 0.00 N ATOM 599 CA GLU A 44 -20.115 13.955 12.268 1.00 0.00 C ATOM 600 C GLU A 44 -21.448 14.295 11.596 1.00 0.00 C ATOM 601 O GLU A 44 -22.023 13.465 10.893 1.00 0.00 O ATOM 602 CB GLU A 44 -20.138 14.329 13.751 1.00 0.00 C ATOM 603 CG GLU A 44 -21.472 13.942 14.394 1.00 0.00 C ATOM 604 CD GLU A 44 -21.625 12.422 14.468 1.00 0.00 C ATOM 605 OE1 GLU A 44 -21.473 11.784 13.403 1.00 0.00 O ATOM 606 OE2 GLU A 44 -21.891 11.933 15.585 1.00 0.00 O ATOM 0 H GLU A 44 -19.003 15.634 11.690 1.00 0.00 H new ATOM 0 HA GLU A 44 -19.960 12.878 12.202 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -19.321 13.826 14.269 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.974 15.401 13.862 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -21.533 14.366 15.396 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -22.294 14.366 13.817 1.00 0.00 H new ATOM 611 N GLU A 45 -21.902 15.516 11.838 1.00 0.00 N ATOM 612 CA GLU A 45 -23.156 15.976 11.267 1.00 0.00 C ATOM 613 C GLU A 45 -23.160 15.758 9.752 1.00 0.00 C ATOM 614 O GLU A 45 -22.208 16.129 9.066 1.00 0.00 O ATOM 615 CB GLU A 45 -23.410 17.444 11.610 1.00 0.00 C ATOM 616 CG GLU A 45 -22.117 18.257 11.536 1.00 0.00 C ATOM 617 CD GLU A 45 -22.368 19.632 10.914 1.00 0.00 C ATOM 618 OE1 GLU A 45 -23.220 20.359 11.468 1.00 0.00 O ATOM 619 OE2 GLU A 45 -21.701 19.924 9.896 1.00 0.00 O ATOM 0 H GLU A 45 -21.423 16.201 12.422 1.00 0.00 H new ATOM 0 HA GLU A 45 -23.967 15.391 11.702 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -24.145 17.860 10.921 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -23.834 17.519 12.611 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -21.701 18.377 12.536 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -21.377 17.717 10.946 1.00 0.00 H new ATOM 624 N ASN A 46 -24.241 15.159 9.274 1.00 0.00 N ATOM 625 CA ASN A 46 -24.381 14.889 7.853 1.00 0.00 C ATOM 626 C ASN A 46 -23.225 13.997 7.392 1.00 0.00 C ATOM 627 O ASN A 46 -22.272 13.778 8.137 1.00 0.00 O ATOM 628 CB ASN A 46 -24.334 16.182 7.039 1.00 0.00 C ATOM 629 CG ASN A 46 -25.672 16.922 7.110 1.00 0.00 C ATOM 630 OD1 ASN A 46 -26.534 16.626 7.920 1.00 0.00 O ATOM 631 ND2 ASN A 46 -25.797 17.901 6.216 1.00 0.00 N ATOM 0 H ASN A 46 -25.028 14.853 9.846 1.00 0.00 H new ATOM 0 HA ASN A 46 -25.342 14.400 7.696 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -23.538 16.825 7.416 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -24.095 15.954 6.000 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -26.653 18.454 6.182 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -25.037 18.098 5.565 1.00 0.00 H new ATOM 637 N GLY A 47 -23.349 13.509 6.167 1.00 0.00 N ATOM 638 CA GLY A 47 -22.327 12.648 5.598 1.00 0.00 C ATOM 639 C GLY A 47 -22.935 11.662 4.598 1.00 0.00 C ATOM 640 O GLY A 47 -23.493 10.639 4.991 1.00 0.00 O ATOM 0 H GLY A 47 -24.142 13.694 5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -21.570 13.255 5.101 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -21.824 12.100 6.394 1.00 0.00 H new ATOM 644 N ASN A 48 -22.806 12.006 3.325 1.00 0.00 N ATOM 645 CA ASN A 48 -23.337 11.165 2.266 1.00 0.00 C ATOM 646 C ASN A 48 -23.052 11.817 0.911 1.00 0.00 C ATOM 647 O ASN A 48 -23.838 12.633 0.433 1.00 0.00 O ATOM 648 CB ASN A 48 -24.851 10.998 2.399 1.00 0.00 C ATOM 649 CG ASN A 48 -25.321 9.697 1.745 1.00 0.00 C ATOM 650 OD1 ASN A 48 -24.676 8.664 1.824 1.00 0.00 O ATOM 651 ND2 ASN A 48 -26.475 9.805 1.094 1.00 0.00 N ATOM 0 H ASN A 48 -22.342 12.855 3.003 1.00 0.00 H new ATOM 0 HA ASN A 48 -22.859 10.188 2.342 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -25.129 11.000 3.453 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -25.356 11.845 1.935 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -26.872 8.993 0.621 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -26.964 10.700 1.067 1.00 0.00 H new ATOM 657 N ARG A 49 -21.924 11.433 0.331 1.00 0.00 N ATOM 658 CA ARG A 49 -21.526 11.970 -0.959 1.00 0.00 C ATOM 659 C ARG A 49 -21.062 10.843 -1.884 1.00 0.00 C ATOM 660 O ARG A 49 -20.899 9.705 -1.447 1.00 0.00 O ATOM 661 CB ARG A 49 -20.397 12.991 -0.805 1.00 0.00 C ATOM 662 CG ARG A 49 -20.951 14.416 -0.736 1.00 0.00 C ATOM 663 CD ARG A 49 -20.769 15.006 0.664 1.00 0.00 C ATOM 664 NE ARG A 49 -21.303 16.386 0.705 1.00 0.00 N ATOM 665 CZ ARG A 49 -20.641 17.461 0.254 1.00 0.00 C ATOM 666 NH1 ARG A 49 -19.418 17.322 -0.275 1.00 0.00 N ATOM 667 NH2 ARG A 49 -21.205 18.675 0.330 1.00 0.00 N ATOM 0 H ARG A 49 -21.274 10.757 0.731 1.00 0.00 H new ATOM 0 HA ARG A 49 -22.394 12.466 -1.393 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -19.827 12.775 0.099 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -19.708 12.905 -1.645 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -20.443 15.044 -1.468 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -22.009 14.412 -0.999 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -21.283 14.386 1.398 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -19.713 15.008 0.932 1.00 0.00 H new ATOM 0 HE ARG A 49 -22.232 16.528 1.101 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -18.990 16.398 -0.335 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -18.915 18.140 -0.618 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -22.137 18.780 0.731 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -20.702 19.493 -0.013 1.00 0.00 H new ATOM 678 N GLY A 50 -20.863 11.198 -3.145 1.00 0.00 N ATOM 679 CA GLY A 50 -20.422 10.231 -4.135 1.00 0.00 C ATOM 680 C GLY A 50 -20.250 10.888 -5.506 1.00 0.00 C ATOM 681 O GLY A 50 -20.677 12.023 -5.711 1.00 0.00 O ATOM 0 H GLY A 50 -20.999 12.143 -3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -19.478 9.787 -3.820 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -21.147 9.420 -4.205 1.00 0.00 H new ATOM 685 N GLY A 51 -19.626 10.145 -6.407 1.00 0.00 N ATOM 686 CA GLY A 51 -19.394 10.643 -7.754 1.00 0.00 C ATOM 687 C GLY A 51 -18.745 9.568 -8.629 1.00 0.00 C ATOM 688 O GLY A 51 -19.384 9.025 -9.528 1.00 0.00 O ATOM 0 H GLY A 51 -19.274 9.204 -6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.339 10.957 -8.198 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.752 11.523 -7.715 1.00 0.00 H new ATOM 692 N LYS A 52 -17.480 9.295 -8.337 1.00 0.00 N ATOM 693 CA LYS A 52 -16.739 8.297 -9.086 1.00 0.00 C ATOM 694 C LYS A 52 -16.586 8.762 -10.535 1.00 0.00 C ATOM 695 O LYS A 52 -15.537 9.280 -10.918 1.00 0.00 O ATOM 696 CB LYS A 52 -17.397 6.922 -8.947 1.00 0.00 C ATOM 697 CG LYS A 52 -17.044 6.279 -7.605 1.00 0.00 C ATOM 698 CD LYS A 52 -18.068 6.653 -6.531 1.00 0.00 C ATOM 699 CE LYS A 52 -18.068 5.629 -5.394 1.00 0.00 C ATOM 700 NZ LYS A 52 -18.301 6.298 -4.094 1.00 0.00 N ATOM 0 H LYS A 52 -16.951 9.749 -7.592 1.00 0.00 H new ATOM 0 HA LYS A 52 -15.734 8.185 -8.679 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -18.479 7.022 -9.033 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.071 6.275 -9.761 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -17.007 5.195 -7.716 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -16.051 6.602 -7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -17.840 7.642 -6.134 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -19.062 6.709 -6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.842 4.882 -5.569 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.115 5.101 -5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.298 5.589 -3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.548 6.994 -3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.221 6.782 -4.113 1.00 0.00 H new ATOM 710 N GLN A 53 -17.648 8.561 -11.302 1.00 0.00 N ATOM 711 CA GLN A 53 -17.644 8.953 -12.701 1.00 0.00 C ATOM 712 C GLN A 53 -16.547 8.205 -13.461 1.00 0.00 C ATOM 713 O GLN A 53 -15.764 7.469 -12.862 1.00 0.00 O ATOM 714 CB GLN A 53 -17.479 10.467 -12.846 1.00 0.00 C ATOM 715 CG GLN A 53 -18.817 11.187 -12.663 1.00 0.00 C ATOM 716 CD GLN A 53 -18.754 12.612 -13.216 1.00 0.00 C ATOM 717 OE1 GLN A 53 -17.705 13.119 -13.578 1.00 0.00 O ATOM 718 NE2 GLN A 53 -19.933 13.226 -13.262 1.00 0.00 N ATOM 0 H GLN A 53 -18.516 8.132 -10.981 1.00 0.00 H new ATOM 0 HA GLN A 53 -18.606 8.683 -13.136 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -16.763 10.830 -12.109 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -17.069 10.699 -13.829 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -19.605 10.631 -13.170 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -19.077 11.215 -11.605 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -20.773 12.743 -12.943 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -19.998 14.180 -13.617 1.00 0.00 H new ATOM 725 N ARG A 54 -16.522 8.421 -14.768 1.00 0.00 N ATOM 726 CA ARG A 54 -15.533 7.778 -15.615 1.00 0.00 C ATOM 727 C ARG A 54 -15.721 6.259 -15.589 1.00 0.00 C ATOM 728 O ARG A 54 -16.492 5.739 -14.785 1.00 0.00 O ATOM 729 CB ARG A 54 -14.113 8.117 -15.158 1.00 0.00 C ATOM 730 CG ARG A 54 -13.625 9.415 -15.803 1.00 0.00 C ATOM 731 CD ARG A 54 -12.121 9.359 -16.078 1.00 0.00 C ATOM 732 NE ARG A 54 -11.733 10.457 -16.991 1.00 0.00 N ATOM 733 CZ ARG A 54 -10.467 10.848 -17.200 1.00 0.00 C ATOM 734 NH1 ARG A 54 -9.462 10.234 -16.563 1.00 0.00 N ATOM 735 NH2 ARG A 54 -10.209 11.853 -18.047 1.00 0.00 N ATOM 0 H ARG A 54 -17.172 9.033 -15.261 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.674 8.148 -16.630 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.090 8.215 -14.073 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.439 7.301 -15.419 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.163 9.586 -16.736 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.847 10.257 -15.147 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.568 9.441 -15.142 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.859 8.398 -16.520 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.474 10.947 -17.492 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.659 9.468 -15.918 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.500 10.532 -16.722 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.975 12.320 -18.532 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.247 12.151 -18.207 1.00 0.00 H new ATOM 746 N ASN A 55 -15.003 5.591 -16.481 1.00 0.00 N ATOM 747 CA ASN A 55 -15.080 4.144 -16.571 1.00 0.00 C ATOM 748 C ASN A 55 -13.669 3.557 -16.511 1.00 0.00 C ATOM 749 O ASN A 55 -12.940 3.578 -17.502 1.00 0.00 O ATOM 750 CB ASN A 55 -15.717 3.708 -17.892 1.00 0.00 C ATOM 751 CG ASN A 55 -17.225 3.505 -17.734 1.00 0.00 C ATOM 752 OD1 ASN A 55 -17.976 4.426 -17.456 1.00 0.00 O ATOM 753 ND2 ASN A 55 -17.625 2.252 -17.923 1.00 0.00 N ATOM 0 H ASN A 55 -14.365 6.026 -17.147 1.00 0.00 H new ATOM 0 HA ASN A 55 -15.689 3.787 -15.741 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.526 4.460 -18.657 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -15.256 2.781 -18.234 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -18.613 2.014 -17.838 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -16.944 1.529 -18.154 1.00 0.00 H new ATOM 759 N ARG A 56 -13.324 3.048 -15.336 1.00 0.00 N ATOM 760 CA ARG A 56 -12.012 2.456 -15.133 1.00 0.00 C ATOM 761 C ARG A 56 -11.883 1.931 -13.703 1.00 0.00 C ATOM 762 O ARG A 56 -12.368 2.557 -12.762 1.00 0.00 O ATOM 763 CB ARG A 56 -10.902 3.474 -15.398 1.00 0.00 C ATOM 764 CG ARG A 56 -10.800 4.485 -14.255 1.00 0.00 C ATOM 765 CD ARG A 56 -12.134 5.202 -14.036 1.00 0.00 C ATOM 766 NE ARG A 56 -11.950 6.341 -13.107 1.00 0.00 N ATOM 767 CZ ARG A 56 -11.961 6.231 -11.773 1.00 0.00 C ATOM 768 NH1 ARG A 56 -12.147 5.033 -11.201 1.00 0.00 N ATOM 769 NH2 ARG A 56 -11.787 7.318 -11.010 1.00 0.00 N ATOM 0 H ARG A 56 -13.930 3.034 -14.516 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.908 1.631 -15.837 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.950 2.957 -15.516 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.099 3.997 -16.334 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.503 3.975 -13.339 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.023 5.216 -14.479 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.525 5.559 -14.989 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.868 4.506 -13.630 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.806 7.267 -13.509 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.280 4.205 -11.782 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.155 4.949 -10.185 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.646 8.230 -11.445 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.795 7.234 -9.993 1.00 0.00 H new ATOM 780 N LEU A 57 -11.226 0.786 -13.584 1.00 0.00 N ATOM 781 CA LEU A 57 -11.027 0.170 -12.284 1.00 0.00 C ATOM 782 C LEU A 57 -9.540 0.219 -11.923 1.00 0.00 C ATOM 783 O LEU A 57 -9.066 -0.578 -11.114 1.00 0.00 O ATOM 784 CB LEU A 57 -11.617 -1.241 -12.263 1.00 0.00 C ATOM 785 CG LEU A 57 -13.118 -1.336 -11.983 1.00 0.00 C ATOM 786 CD1 LEU A 57 -13.928 -0.697 -13.111 1.00 0.00 C ATOM 787 CD2 LEU A 57 -13.538 -2.784 -11.725 1.00 0.00 C ATOM 0 H LEU A 57 -10.825 0.269 -14.367 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.562 0.726 -11.514 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.417 -1.712 -13.226 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.089 -1.823 -11.508 1.00 0.00 H new ATOM 0 HG LEU A 57 -13.331 -0.773 -11.075 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -14.992 -0.778 -12.887 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -13.656 0.354 -13.204 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -13.715 -1.211 -14.048 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.609 -2.823 -11.529 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -13.307 -3.391 -12.600 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.997 -3.171 -10.862 1.00 0.00 H new ATOM 798 N GLU A 58 -8.846 1.163 -12.541 1.00 0.00 N ATOM 799 CA GLU A 58 -7.423 1.328 -12.295 1.00 0.00 C ATOM 800 C GLU A 58 -6.648 0.126 -12.840 1.00 0.00 C ATOM 801 O GLU A 58 -7.235 -0.915 -13.133 1.00 0.00 O ATOM 802 CB GLU A 58 -7.143 1.531 -10.804 1.00 0.00 C ATOM 803 CG GLU A 58 -7.180 3.014 -10.436 1.00 0.00 C ATOM 804 CD GLU A 58 -6.309 3.836 -11.388 1.00 0.00 C ATOM 805 OE1 GLU A 58 -5.075 3.818 -11.187 1.00 0.00 O ATOM 806 OE2 GLU A 58 -6.896 4.466 -12.294 1.00 0.00 O ATOM 0 H GLU A 58 -9.242 1.822 -13.212 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.085 2.222 -12.819 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.882 0.988 -10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.167 1.115 -10.554 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.207 3.376 -10.473 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.832 3.147 -9.412 1.00 0.00 H new ATOM 811 N PRO A 59 -5.307 0.314 -12.963 1.00 0.00 N ATOM 812 CA PRO A 59 -4.445 -0.742 -13.466 1.00 0.00 C ATOM 813 C PRO A 59 -4.232 -1.827 -12.409 1.00 0.00 C ATOM 814 O PRO A 59 -4.356 -3.016 -12.699 1.00 0.00 O ATOM 815 CB PRO A 59 -3.158 -0.042 -13.867 1.00 0.00 C ATOM 816 CG PRO A 59 -3.169 1.297 -13.148 1.00 0.00 C ATOM 817 CD PRO A 59 -4.577 1.533 -12.626 1.00 0.00 C ATOM 0 HA PRO A 59 -4.878 -1.268 -14.317 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.287 -0.632 -13.580 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.109 0.095 -14.947 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.452 1.295 -12.327 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.874 2.097 -13.827 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.576 1.709 -11.550 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.031 2.408 -13.092 1.00 0.00 H new ATOM 822 N MET A 60 -3.913 -1.378 -11.203 1.00 0.00 N ATOM 823 CA MET A 60 -3.680 -2.296 -10.100 1.00 0.00 C ATOM 824 C MET A 60 -4.169 -1.701 -8.779 1.00 0.00 C ATOM 825 O MET A 60 -5.095 -2.226 -8.161 1.00 0.00 O ATOM 826 CB MET A 60 -2.185 -2.605 -10.000 1.00 0.00 C ATOM 827 CG MET A 60 -1.795 -3.738 -10.950 1.00 0.00 C ATOM 828 SD MET A 60 -0.575 -4.788 -10.179 1.00 0.00 S ATOM 829 CE MET A 60 0.757 -4.634 -11.357 1.00 0.00 C ATOM 0 H MET A 60 -3.811 -0.391 -10.966 1.00 0.00 H new ATOM 0 HA MET A 60 -4.237 -3.213 -10.291 1.00 0.00 H new ATOM 0 HB2 MET A 60 -1.609 -1.711 -10.238 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.935 -2.882 -8.976 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.676 -4.323 -11.213 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.398 -3.326 -11.878 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.606 -5.232 -11.026 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.423 -4.987 -12.333 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.057 -3.589 -11.432 1.00 0.00 H new ATOM 837 N ASP A 61 -3.525 -0.612 -8.384 1.00 0.00 N ATOM 838 CA ASP A 61 -3.884 0.061 -7.147 1.00 0.00 C ATOM 839 C ASP A 61 -3.840 -0.944 -5.993 1.00 0.00 C ATOM 840 O ASP A 61 -4.569 -0.801 -5.014 1.00 0.00 O ATOM 841 CB ASP A 61 -5.300 0.634 -7.221 1.00 0.00 C ATOM 842 CG ASP A 61 -5.698 1.528 -6.045 1.00 0.00 C ATOM 843 OD1 ASP A 61 -4.791 2.201 -5.512 1.00 0.00 O ATOM 844 OD2 ASP A 61 -6.901 1.516 -5.706 1.00 0.00 O ATOM 0 H ASP A 61 -2.758 -0.180 -8.898 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.175 0.873 -6.988 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.396 1.208 -8.143 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.007 -0.193 -7.285 1.00 0.00 H new ATOM 848 N THR A 62 -2.976 -1.937 -6.149 1.00 0.00 N ATOM 849 CA THR A 62 -2.829 -2.964 -5.133 1.00 0.00 C ATOM 850 C THR A 62 -1.735 -2.575 -4.136 1.00 0.00 C ATOM 851 O THR A 62 -0.905 -1.715 -4.424 1.00 0.00 O ATOM 852 CB THR A 62 -2.560 -4.294 -5.841 1.00 0.00 C ATOM 853 OG1 THR A 62 -3.621 -4.406 -6.785 1.00 0.00 O ATOM 854 CG2 THR A 62 -2.751 -5.499 -4.919 1.00 0.00 C ATOM 0 H THR A 62 -2.372 -2.051 -6.963 1.00 0.00 H new ATOM 0 HA THR A 62 -3.740 -3.071 -4.544 1.00 0.00 H new ATOM 0 HB THR A 62 -1.543 -4.296 -6.233 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.523 -5.240 -7.290 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.548 -6.416 -5.472 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.065 -5.424 -4.075 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.777 -5.517 -4.552 1.00 0.00 H new ATOM 862 N ILE A 63 -1.770 -3.228 -2.984 1.00 0.00 N ATOM 863 CA ILE A 63 -0.793 -2.962 -1.943 1.00 0.00 C ATOM 864 C ILE A 63 -0.152 -4.279 -1.500 1.00 0.00 C ATOM 865 O ILE A 63 -0.490 -4.815 -0.446 1.00 0.00 O ATOM 866 CB ILE A 63 -1.433 -2.174 -0.797 1.00 0.00 C ATOM 867 CG1 ILE A 63 -1.951 -0.820 -1.285 1.00 0.00 C ATOM 868 CG2 ILE A 63 -0.460 -2.026 0.375 1.00 0.00 C ATOM 869 CD1 ILE A 63 -3.479 -0.766 -1.228 1.00 0.00 C ATOM 0 H ILE A 63 -2.460 -3.941 -2.749 1.00 0.00 H new ATOM 0 HA ILE A 63 0.009 -2.331 -2.326 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.293 -2.736 -0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.532 -0.023 -0.671 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.615 -0.645 -2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.938 -1.463 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.180 -3.013 0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.433 -1.497 0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.822 0.207 -1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.895 -1.549 -1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.810 -0.918 -0.201 1.00 0.00 H new ATOM 880 N PHE A 64 0.763 -4.763 -2.330 1.00 0.00 N ATOM 881 CA PHE A 64 1.454 -6.007 -2.038 1.00 0.00 C ATOM 882 C PHE A 64 2.652 -5.766 -1.116 1.00 0.00 C ATOM 883 O PHE A 64 3.522 -4.953 -1.425 1.00 0.00 O ATOM 884 CB PHE A 64 1.954 -6.564 -3.371 1.00 0.00 C ATOM 885 CG PHE A 64 0.840 -7.047 -4.302 1.00 0.00 C ATOM 886 CD1 PHE A 64 0.153 -8.184 -4.007 1.00 0.00 C ATOM 887 CD2 PHE A 64 0.538 -6.340 -5.423 1.00 0.00 C ATOM 888 CE1 PHE A 64 -0.881 -8.631 -4.871 1.00 0.00 C ATOM 889 CE2 PHE A 64 -0.498 -6.787 -6.287 1.00 0.00 C ATOM 890 CZ PHE A 64 -1.185 -7.923 -5.993 1.00 0.00 C ATOM 0 H PHE A 64 1.041 -4.316 -3.204 1.00 0.00 H new ATOM 0 HA PHE A 64 0.778 -6.699 -1.536 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.531 -5.793 -3.881 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.634 -7.393 -3.174 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.394 -8.746 -3.117 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.085 -5.439 -5.657 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.427 -9.533 -4.638 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.740 -6.225 -7.177 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.972 -8.263 -6.650 1.00 0.00 H new ATOM 899 N VAL A 65 2.657 -6.487 -0.004 1.00 0.00 N ATOM 900 CA VAL A 65 3.734 -6.361 0.962 1.00 0.00 C ATOM 901 C VAL A 65 5.074 -6.588 0.261 1.00 0.00 C ATOM 902 O VAL A 65 5.283 -7.628 -0.362 1.00 0.00 O ATOM 903 CB VAL A 65 3.501 -7.320 2.131 1.00 0.00 C ATOM 904 CG1 VAL A 65 4.759 -7.449 2.993 1.00 0.00 C ATOM 905 CG2 VAL A 65 2.302 -6.878 2.973 1.00 0.00 C ATOM 0 H VAL A 65 1.933 -7.160 0.249 1.00 0.00 H new ATOM 0 HA VAL A 65 3.755 -5.355 1.381 1.00 0.00 H new ATOM 0 HB VAL A 65 3.275 -8.303 1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.567 -8.136 3.817 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.579 -7.832 2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.029 -6.471 3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.159 -7.577 3.797 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.485 -5.880 3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.407 -6.862 2.351 1.00 0.00 H new ATOM 915 N LYS A 66 5.946 -5.598 0.384 1.00 0.00 N ATOM 916 CA LYS A 66 7.261 -5.677 -0.231 1.00 0.00 C ATOM 917 C LYS A 66 8.158 -6.587 0.609 1.00 0.00 C ATOM 918 O LYS A 66 8.721 -7.553 0.098 1.00 0.00 O ATOM 919 CB LYS A 66 7.835 -4.276 -0.448 1.00 0.00 C ATOM 920 CG LYS A 66 9.365 -4.310 -0.478 1.00 0.00 C ATOM 921 CD LYS A 66 9.872 -5.108 -1.681 1.00 0.00 C ATOM 922 CE LYS A 66 11.226 -4.580 -2.157 1.00 0.00 C ATOM 923 NZ LYS A 66 11.380 -4.790 -3.614 1.00 0.00 N ATOM 0 H LYS A 66 5.768 -4.737 0.900 1.00 0.00 H new ATOM 0 HA LYS A 66 7.192 -6.125 -1.222 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.458 -3.866 -1.385 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.498 -3.613 0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.754 -3.293 -0.522 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.741 -4.756 0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.962 -6.160 -1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.148 -5.047 -2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.311 -3.518 -1.925 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.029 -5.088 -1.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.304 -4.426 -3.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.320 -5.806 -3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.624 -4.285 -4.119 1.00 0.00 H new ATOM 933 N GLN A 67 8.264 -6.246 1.885 1.00 0.00 N ATOM 934 CA GLN A 67 9.084 -7.021 2.802 1.00 0.00 C ATOM 935 C GLN A 67 8.506 -6.955 4.215 1.00 0.00 C ATOM 936 O GLN A 67 7.480 -6.316 4.442 1.00 0.00 O ATOM 937 CB GLN A 67 10.535 -6.538 2.780 1.00 0.00 C ATOM 938 CG GLN A 67 10.807 -5.565 3.929 1.00 0.00 C ATOM 939 CD GLN A 67 12.086 -4.764 3.679 1.00 0.00 C ATOM 940 OE1 GLN A 67 12.757 -4.915 2.671 1.00 0.00 O ATOM 941 NE2 GLN A 67 12.385 -3.906 4.649 1.00 0.00 N ATOM 0 H GLN A 67 7.796 -5.443 2.306 1.00 0.00 H new ATOM 0 HA GLN A 67 9.076 -8.061 2.476 1.00 0.00 H new ATOM 0 HB2 GLN A 67 11.208 -7.392 2.856 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.745 -6.050 1.828 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.963 -4.884 4.041 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.897 -6.117 4.864 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.780 -3.829 5.467 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.220 -3.324 4.576 1.00 0.00 H new ATOM 948 N VAL A 68 9.188 -7.626 5.131 1.00 0.00 N ATOM 949 CA VAL A 68 8.754 -7.654 6.518 1.00 0.00 C ATOM 950 C VAL A 68 9.982 -7.695 7.431 1.00 0.00 C ATOM 951 O VAL A 68 10.690 -8.699 7.481 1.00 0.00 O ATOM 952 CB VAL A 68 7.801 -8.828 6.746 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.670 -9.147 8.236 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.431 -8.551 6.123 1.00 0.00 C ATOM 0 H VAL A 68 10.039 -8.155 4.940 1.00 0.00 H new ATOM 0 HA VAL A 68 8.197 -6.749 6.761 1.00 0.00 H new ATOM 0 HB VAL A 68 8.224 -9.703 6.252 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.987 -9.986 8.370 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.648 -9.408 8.640 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.282 -8.275 8.762 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.772 -9.401 6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.000 -7.658 6.575 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.544 -8.396 5.050 1.00 0.00 H new ATOM 964 N LYS A 69 10.196 -6.591 8.131 1.00 0.00 N ATOM 965 CA LYS A 69 11.325 -6.487 9.039 1.00 0.00 C ATOM 966 C LYS A 69 11.409 -7.757 9.889 1.00 0.00 C ATOM 967 O LYS A 69 10.499 -8.585 9.864 1.00 0.00 O ATOM 968 CB LYS A 69 11.235 -5.201 9.863 1.00 0.00 C ATOM 969 CG LYS A 69 12.629 -4.649 10.171 1.00 0.00 C ATOM 970 CD LYS A 69 12.561 -3.164 10.536 1.00 0.00 C ATOM 971 CE LYS A 69 13.847 -2.711 11.231 1.00 0.00 C ATOM 972 NZ LYS A 69 13.588 -2.404 12.654 1.00 0.00 N ATOM 0 H LYS A 69 9.606 -5.760 8.088 1.00 0.00 H new ATOM 0 HA LYS A 69 12.258 -6.414 8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.657 -4.455 9.318 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.704 -5.398 10.794 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.073 -5.210 10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.278 -4.785 9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.402 -2.571 9.635 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.708 -2.985 11.190 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.603 -3.492 11.154 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.247 -1.829 10.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.472 -2.098 13.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.882 -1.643 12.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.228 -3.254 13.133 1.00 0.00 H new ATOM 982 N GLU A 70 12.507 -7.869 10.621 1.00 0.00 N ATOM 983 CA GLU A 70 12.721 -9.024 11.476 1.00 0.00 C ATOM 984 C GLU A 70 12.739 -8.600 12.946 1.00 0.00 C ATOM 985 O GLU A 70 13.798 -8.306 13.497 1.00 0.00 O ATOM 986 CB GLU A 70 14.013 -9.755 11.100 1.00 0.00 C ATOM 987 CG GLU A 70 13.945 -11.231 11.498 1.00 0.00 C ATOM 988 CD GLU A 70 14.787 -11.501 12.746 1.00 0.00 C ATOM 989 OE1 GLU A 70 16.019 -11.313 12.649 1.00 0.00 O ATOM 990 OE2 GLU A 70 14.181 -11.891 13.767 1.00 0.00 O ATOM 0 H GLU A 70 13.258 -7.179 10.640 1.00 0.00 H new ATOM 0 HA GLU A 70 11.894 -9.718 11.328 1.00 0.00 H new ATOM 0 HB2 GLU A 70 14.183 -9.672 10.027 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.861 -9.280 11.594 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.909 -11.513 11.686 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.300 -11.850 10.674 1.00 0.00 H new ATOM 995 N GLY A 71 11.555 -8.583 13.538 1.00 0.00 N ATOM 996 CA GLY A 71 11.421 -8.201 14.933 1.00 0.00 C ATOM 997 C GLY A 71 10.614 -6.907 15.072 1.00 0.00 C ATOM 998 O GLY A 71 10.822 -6.138 16.009 1.00 0.00 O ATOM 0 H GLY A 71 10.679 -8.828 13.077 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.931 -9.001 15.487 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.409 -8.067 15.374 1.00 0.00 H new ATOM 1002 N GLY A 72 9.707 -6.710 14.125 1.00 0.00 N ATOM 1003 CA GLY A 72 8.868 -5.523 14.130 1.00 0.00 C ATOM 1004 C GLY A 72 7.420 -5.878 14.477 1.00 0.00 C ATOM 1005 O GLY A 72 7.140 -6.987 14.931 1.00 0.00 O ATOM 0 H GLY A 72 9.535 -7.351 13.351 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.253 -4.804 14.853 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.904 -5.043 13.152 1.00 0.00 H new ATOM 1009 N PRO A 73 6.515 -4.890 14.245 1.00 0.00 N ATOM 1010 CA PRO A 73 5.104 -5.088 14.528 1.00 0.00 C ATOM 1011 C PRO A 73 4.451 -5.981 13.471 1.00 0.00 C ATOM 1012 O PRO A 73 3.738 -6.924 13.806 1.00 0.00 O ATOM 1013 CB PRO A 73 4.512 -3.687 14.569 1.00 0.00 C ATOM 1014 CG PRO A 73 5.510 -2.792 13.852 1.00 0.00 C ATOM 1015 CD PRO A 73 6.810 -3.565 13.707 1.00 0.00 C ATOM 0 HA PRO A 73 4.933 -5.608 15.471 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.539 -3.659 14.078 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.360 -3.357 15.597 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.128 -2.501 12.873 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.673 -1.874 14.416 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.123 -3.622 12.664 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.619 -3.085 14.257 1.00 0.00 H new ATOM 1020 N ALA A 74 4.721 -5.651 12.216 1.00 0.00 N ATOM 1021 CA ALA A 74 4.169 -6.413 11.108 1.00 0.00 C ATOM 1022 C ALA A 74 4.595 -7.876 11.239 1.00 0.00 C ATOM 1023 O ALA A 74 3.780 -8.782 11.067 1.00 0.00 O ATOM 1024 CB ALA A 74 4.620 -5.790 9.786 1.00 0.00 C ATOM 0 H ALA A 74 5.314 -4.867 11.942 1.00 0.00 H new ATOM 0 HA ALA A 74 3.080 -6.384 11.127 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.206 -6.361 8.955 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.267 -4.760 9.730 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.708 -5.804 9.730 1.00 0.00 H new ATOM 1030 N PHE A 75 5.872 -8.064 11.541 1.00 0.00 N ATOM 1031 CA PHE A 75 6.416 -9.402 11.697 1.00 0.00 C ATOM 1032 C PHE A 75 5.654 -10.183 12.769 1.00 0.00 C ATOM 1033 O PHE A 75 5.320 -11.350 12.573 1.00 0.00 O ATOM 1034 CB PHE A 75 7.873 -9.243 12.136 1.00 0.00 C ATOM 1035 CG PHE A 75 8.466 -10.495 12.787 1.00 0.00 C ATOM 1036 CD1 PHE A 75 8.598 -11.639 12.063 1.00 0.00 C ATOM 1037 CD2 PHE A 75 8.861 -10.464 14.087 1.00 0.00 C ATOM 1038 CE1 PHE A 75 9.149 -12.800 12.667 1.00 0.00 C ATOM 1039 CE2 PHE A 75 9.410 -11.626 14.691 1.00 0.00 C ATOM 1040 CZ PHE A 75 9.544 -12.769 13.967 1.00 0.00 C ATOM 0 H PHE A 75 6.546 -7.311 11.682 1.00 0.00 H new ATOM 0 HA PHE A 75 6.331 -9.950 10.759 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.476 -8.976 11.268 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.942 -8.413 12.839 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.284 -11.664 11.030 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.757 -9.555 14.661 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.254 -13.709 12.093 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.721 -11.602 15.725 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.964 -13.652 14.425 1.00 0.00 H new ATOM 1049 N GLU A 76 5.401 -9.507 13.880 1.00 0.00 N ATOM 1050 CA GLU A 76 4.685 -10.122 14.984 1.00 0.00 C ATOM 1051 C GLU A 76 3.208 -10.304 14.623 1.00 0.00 C ATOM 1052 O GLU A 76 2.653 -11.388 14.795 1.00 0.00 O ATOM 1053 CB GLU A 76 4.838 -9.301 16.264 1.00 0.00 C ATOM 1054 CG GLU A 76 6.314 -9.058 16.588 1.00 0.00 C ATOM 1055 CD GLU A 76 6.742 -9.852 17.823 1.00 0.00 C ATOM 1056 OE1 GLU A 76 6.586 -11.092 17.784 1.00 0.00 O ATOM 1057 OE2 GLU A 76 7.216 -9.201 18.779 1.00 0.00 O ATOM 0 H GLU A 76 5.679 -8.539 14.039 1.00 0.00 H new ATOM 0 HA GLU A 76 5.119 -11.105 15.169 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.325 -8.346 16.151 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.361 -9.823 17.094 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.929 -9.345 15.735 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.482 -7.995 16.759 1.00 0.00 H new ATOM 1062 N ALA A 77 2.615 -9.228 14.130 1.00 0.00 N ATOM 1063 CA ALA A 77 1.216 -9.254 13.742 1.00 0.00 C ATOM 1064 C ALA A 77 0.926 -10.550 12.983 1.00 0.00 C ATOM 1065 O ALA A 77 -0.201 -11.043 12.996 1.00 0.00 O ATOM 1066 CB ALA A 77 0.890 -8.009 12.916 1.00 0.00 C ATOM 0 H ALA A 77 3.079 -8.331 13.990 1.00 0.00 H new ATOM 0 HA ALA A 77 0.574 -9.237 14.623 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.160 -8.030 12.625 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.084 -7.117 13.511 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.513 -7.992 12.022 1.00 0.00 H new ATOM 1072 N GLY A 78 1.963 -11.065 12.337 1.00 0.00 N ATOM 1073 CA GLY A 78 1.833 -12.293 11.573 1.00 0.00 C ATOM 1074 C GLY A 78 1.904 -12.015 10.070 1.00 0.00 C ATOM 1075 O GLY A 78 1.601 -12.887 9.257 1.00 0.00 O ATOM 0 H GLY A 78 2.896 -10.653 12.328 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.625 -12.987 11.856 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.886 -12.776 11.813 1.00 0.00 H new ATOM 1079 N LEU A 79 2.305 -10.794 9.745 1.00 0.00 N ATOM 1080 CA LEU A 79 2.419 -10.390 8.355 1.00 0.00 C ATOM 1081 C LEU A 79 3.506 -11.224 7.671 1.00 0.00 C ATOM 1082 O LEU A 79 4.075 -12.127 8.283 1.00 0.00 O ATOM 1083 CB LEU A 79 2.648 -8.880 8.253 1.00 0.00 C ATOM 1084 CG LEU A 79 1.820 -8.146 7.196 1.00 0.00 C ATOM 1085 CD1 LEU A 79 0.359 -8.026 7.630 1.00 0.00 C ATOM 1086 CD2 LEU A 79 2.434 -6.784 6.867 1.00 0.00 C ATOM 0 H LEU A 79 2.555 -10.072 10.421 1.00 0.00 H new ATOM 0 HA LEU A 79 1.487 -10.585 7.825 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.437 -8.434 9.225 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.704 -8.706 8.044 1.00 0.00 H new ATOM 0 HG LEU A 79 1.836 -8.736 6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.207 -7.500 6.861 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.061 -9.022 7.773 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.302 -7.470 8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.826 -6.283 6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.469 -6.173 7.769 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.445 -6.924 6.484 1.00 0.00 H new ATOM 1097 N CYS A 80 3.760 -10.892 6.415 1.00 0.00 N ATOM 1098 CA CYS A 80 4.768 -11.599 5.644 1.00 0.00 C ATOM 1099 C CYS A 80 4.851 -10.955 4.258 1.00 0.00 C ATOM 1100 O CYS A 80 4.402 -9.827 4.065 1.00 0.00 O ATOM 1101 CB CYS A 80 4.470 -13.097 5.561 1.00 0.00 C ATOM 1102 SG CYS A 80 6.022 -14.054 5.713 1.00 0.00 S ATOM 0 H CYS A 80 3.285 -10.143 5.911 1.00 0.00 H new ATOM 0 HA CYS A 80 5.735 -11.516 6.141 1.00 0.00 H new ATOM 0 HB2 CYS A 80 3.778 -13.383 6.353 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.983 -13.327 4.614 1.00 0.00 H new ATOM 0 HG CYS A 80 5.757 -15.325 5.643 1.00 0.00 H new ATOM 1107 N THR A 81 5.426 -11.703 3.328 1.00 0.00 N ATOM 1108 CA THR A 81 5.573 -11.219 1.965 1.00 0.00 C ATOM 1109 C THR A 81 4.540 -11.879 1.050 1.00 0.00 C ATOM 1110 O THR A 81 4.355 -13.095 1.092 1.00 0.00 O ATOM 1111 CB THR A 81 7.018 -11.469 1.528 1.00 0.00 C ATOM 1112 OG1 THR A 81 7.349 -12.721 2.123 1.00 0.00 O ATOM 1113 CG2 THR A 81 8.002 -10.484 2.162 1.00 0.00 C ATOM 0 H THR A 81 5.795 -12.640 3.491 1.00 0.00 H new ATOM 0 HA THR A 81 5.379 -10.148 1.903 1.00 0.00 H new ATOM 0 HB THR A 81 7.085 -11.400 0.442 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.270 -12.961 1.889 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.012 -10.707 1.818 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.736 -9.467 1.873 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.960 -10.575 3.247 1.00 0.00 H new ATOM 1121 N GLY A 82 3.893 -11.049 0.246 1.00 0.00 N ATOM 1122 CA GLY A 82 2.882 -11.537 -0.677 1.00 0.00 C ATOM 1123 C GLY A 82 1.485 -11.083 -0.249 1.00 0.00 C ATOM 1124 O GLY A 82 0.592 -10.945 -1.084 1.00 0.00 O ATOM 0 H GLY A 82 4.049 -10.041 0.214 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.095 -11.172 -1.682 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.918 -12.626 -0.719 1.00 0.00 H new ATOM 1128 N ASP A 83 1.340 -10.866 1.049 1.00 0.00 N ATOM 1129 CA ASP A 83 0.066 -10.433 1.598 1.00 0.00 C ATOM 1130 C ASP A 83 -0.212 -8.996 1.153 1.00 0.00 C ATOM 1131 O ASP A 83 0.540 -8.081 1.486 1.00 0.00 O ATOM 1132 CB ASP A 83 0.088 -10.456 3.128 1.00 0.00 C ATOM 1133 CG ASP A 83 0.957 -11.555 3.745 1.00 0.00 C ATOM 1134 OD1 ASP A 83 2.197 -11.407 3.670 1.00 0.00 O ATOM 1135 OD2 ASP A 83 0.363 -12.518 4.275 1.00 0.00 O ATOM 0 H ASP A 83 2.084 -10.982 1.737 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.705 -11.114 1.238 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.442 -9.489 3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.933 -10.575 3.490 1.00 0.00 H new ATOM 1139 N ARG A 84 -1.295 -8.841 0.406 1.00 0.00 N ATOM 1140 CA ARG A 84 -1.683 -7.531 -0.089 1.00 0.00 C ATOM 1141 C ARG A 84 -2.682 -6.876 0.868 1.00 0.00 C ATOM 1142 O ARG A 84 -3.460 -7.565 1.525 1.00 0.00 O ATOM 1143 CB ARG A 84 -2.311 -7.631 -1.480 1.00 0.00 C ATOM 1144 CG ARG A 84 -3.425 -8.681 -1.506 1.00 0.00 C ATOM 1145 CD ARG A 84 -4.367 -8.453 -2.689 1.00 0.00 C ATOM 1146 NE ARG A 84 -5.772 -8.462 -2.228 1.00 0.00 N ATOM 1147 CZ ARG A 84 -6.814 -8.097 -2.986 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -6.615 -7.690 -4.248 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -8.056 -8.138 -2.483 1.00 0.00 N ATOM 0 H ARG A 84 -1.917 -9.602 0.131 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.782 -6.921 -0.153 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.714 -6.661 -1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.545 -7.890 -2.211 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.988 -9.678 -1.571 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.989 -8.641 -0.574 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.139 -7.500 -3.167 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.217 -9.230 -3.439 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.959 -8.765 -1.272 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.670 -7.658 -4.631 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.409 -7.412 -4.825 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.207 -8.447 -1.523 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.850 -7.860 -3.060 1.00 0.00 H new ATOM 1160 N ILE A 85 -2.628 -5.553 0.914 1.00 0.00 N ATOM 1161 CA ILE A 85 -3.517 -4.798 1.780 1.00 0.00 C ATOM 1162 C ILE A 85 -4.824 -4.510 1.034 1.00 0.00 C ATOM 1163 O ILE A 85 -4.815 -4.292 -0.176 1.00 0.00 O ATOM 1164 CB ILE A 85 -2.817 -3.541 2.303 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -1.373 -3.845 2.703 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -3.609 -2.911 3.450 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.314 -4.994 3.713 1.00 0.00 C ATOM 0 H ILE A 85 -1.982 -4.985 0.366 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.775 -5.381 2.664 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.780 -2.809 1.496 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.793 -4.105 1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.916 -2.954 3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.091 -2.020 3.804 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.603 -2.637 3.098 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.698 -3.627 4.267 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.276 -5.190 3.981 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.874 -4.721 4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.750 -5.890 3.271 1.00 0.00 H new ATOM 1178 N ILE A 86 -5.912 -4.516 1.789 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.221 -4.258 1.216 1.00 0.00 C ATOM 1180 C ILE A 86 -7.859 -3.064 1.929 1.00 0.00 C ATOM 1181 O ILE A 86 -8.456 -2.200 1.289 1.00 0.00 O ATOM 1182 CB ILE A 86 -8.079 -5.524 1.249 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -8.108 -6.132 2.653 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -7.611 -6.532 0.197 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -8.831 -7.480 2.653 1.00 0.00 C ATOM 0 H ILE A 86 -5.914 -4.696 2.793 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.130 -3.990 0.163 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.103 -5.248 0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.089 -6.262 3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.607 -5.448 3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.238 -7.423 0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.687 -6.085 -0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.575 -6.808 0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -8.837 -7.890 3.663 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -9.857 -7.343 2.311 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.315 -8.170 1.985 1.00 0.00 H new ATOM 1196 N LYS A 87 -7.711 -3.054 3.245 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.266 -1.981 4.052 1.00 0.00 C ATOM 1198 C LYS A 87 -7.173 -1.415 4.962 1.00 0.00 C ATOM 1199 O LYS A 87 -6.139 -2.049 5.163 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.505 -2.464 4.809 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.573 -2.975 3.841 1.00 0.00 C ATOM 1202 CD LYS A 87 -10.975 -4.413 4.176 1.00 0.00 C ATOM 1203 CE LYS A 87 -11.355 -5.186 2.913 1.00 0.00 C ATOM 1204 NZ LYS A 87 -12.364 -6.223 3.222 1.00 0.00 N ATOM 0 H LYS A 87 -7.215 -3.772 3.773 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.608 -1.165 3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.226 -3.259 5.501 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.911 -1.648 5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.449 -2.329 3.887 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.195 -2.928 2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.150 -4.917 4.680 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.816 -4.407 4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.749 -4.499 2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.468 -5.651 2.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.610 -6.738 2.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.975 -6.889 3.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.217 -5.773 3.611 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.438 -0.227 5.485 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.490 0.431 6.367 1.00 0.00 C ATOM 1216 C VAL A 88 -7.254 1.171 7.469 1.00 0.00 C ATOM 1217 O VAL A 88 -8.127 1.987 7.182 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.571 1.348 5.558 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.631 2.130 6.476 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -4.785 0.554 4.514 1.00 0.00 C ATOM 0 H VAL A 88 -8.296 0.297 5.315 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.848 -0.303 6.853 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.196 2.067 5.029 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.989 2.774 5.876 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.218 2.741 7.162 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.016 1.433 7.045 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.140 1.230 3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.175 -0.199 5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.479 0.065 3.831 1.00 0.00 H new ATOM 1230 N ASN A 89 -6.895 0.857 8.705 1.00 0.00 N ATOM 1231 CA ASN A 89 -7.535 1.481 9.850 1.00 0.00 C ATOM 1232 C ASN A 89 -9.054 1.429 9.673 1.00 0.00 C ATOM 1233 O ASN A 89 -9.776 2.252 10.233 1.00 0.00 O ATOM 1234 CB ASN A 89 -7.124 2.949 9.980 1.00 0.00 C ATOM 1235 CG ASN A 89 -5.782 3.081 10.704 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -5.594 2.600 11.809 1.00 0.00 O ATOM 1237 ND2 ASN A 89 -4.864 3.758 10.022 1.00 0.00 N ATOM 0 H ASN A 89 -6.170 0.179 8.938 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.226 0.940 10.744 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -7.053 3.399 8.990 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.891 3.498 10.526 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.936 3.901 10.420 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.088 4.134 9.101 1.00 0.00 H new ATOM 1243 N GLY A 90 -9.492 0.454 8.889 1.00 0.00 N ATOM 1244 CA GLY A 90 -10.912 0.284 8.629 1.00 0.00 C ATOM 1245 C GLY A 90 -11.472 1.472 7.844 1.00 0.00 C ATOM 1246 O GLY A 90 -12.632 1.844 8.016 1.00 0.00 O ATOM 0 H GLY A 90 -8.889 -0.226 8.426 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.075 -0.636 8.068 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.448 0.182 9.572 1.00 0.00 H new ATOM 1250 N GLU A 91 -10.621 2.035 6.999 1.00 0.00 N ATOM 1251 CA GLU A 91 -11.015 3.173 6.186 1.00 0.00 C ATOM 1252 C GLU A 91 -11.398 2.713 4.778 1.00 0.00 C ATOM 1253 O GLU A 91 -12.203 3.358 4.109 1.00 0.00 O ATOM 1254 CB GLU A 91 -9.903 4.224 6.137 1.00 0.00 C ATOM 1255 CG GLU A 91 -10.436 5.606 6.521 1.00 0.00 C ATOM 1256 CD GLU A 91 -11.606 6.010 5.620 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -11.446 5.876 4.388 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -12.632 6.446 6.186 1.00 0.00 O ATOM 0 H GLU A 91 -9.660 1.724 6.860 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.888 3.637 6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.099 3.939 6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.476 4.261 5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.759 5.599 7.562 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.638 6.344 6.440 1.00 0.00 H new ATOM 1263 N SER A 92 -10.803 1.601 4.371 1.00 0.00 N ATOM 1264 CA SER A 92 -11.071 1.047 3.056 1.00 0.00 C ATOM 1265 C SER A 92 -10.392 1.900 1.980 1.00 0.00 C ATOM 1266 O SER A 92 -10.402 3.126 2.059 1.00 0.00 O ATOM 1267 CB SER A 92 -12.575 0.959 2.792 1.00 0.00 C ATOM 1268 OG SER A 92 -13.277 0.382 3.890 1.00 0.00 O ATOM 0 H SER A 92 -10.136 1.069 4.930 1.00 0.00 H new ATOM 0 HA SER A 92 -10.663 0.037 3.021 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.967 1.957 2.595 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.752 0.364 1.896 1.00 0.00 H new ATOM 0 HG SER A 92 -14.234 0.345 3.683 1.00 0.00 H new ATOM 1273 N VAL A 93 -9.819 1.214 1.003 1.00 0.00 N ATOM 1274 CA VAL A 93 -9.138 1.893 -0.087 1.00 0.00 C ATOM 1275 C VAL A 93 -10.131 2.150 -1.221 1.00 0.00 C ATOM 1276 O VAL A 93 -9.799 1.975 -2.393 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.921 1.079 -0.530 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -7.065 0.673 0.671 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -8.346 -0.148 -1.339 1.00 0.00 C ATOM 0 H VAL A 93 -9.812 0.196 0.943 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.762 2.862 0.241 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.313 1.712 -1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.207 0.095 0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.717 1.567 1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.660 0.067 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.462 -0.709 -1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.987 -0.783 -0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -8.893 0.172 -2.226 1.00 0.00 H new ATOM 1289 N ILE A 94 -11.328 2.563 -0.836 1.00 0.00 N ATOM 1290 CA ILE A 94 -12.373 2.845 -1.807 1.00 0.00 C ATOM 1291 C ILE A 94 -12.046 4.154 -2.532 1.00 0.00 C ATOM 1292 O ILE A 94 -12.270 5.237 -1.995 1.00 0.00 O ATOM 1293 CB ILE A 94 -13.746 2.842 -1.134 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -14.126 1.434 -0.671 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -14.809 3.449 -2.052 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -14.617 0.583 -1.845 1.00 0.00 C ATOM 0 H ILE A 94 -11.599 2.710 0.136 1.00 0.00 H new ATOM 0 HA ILE A 94 -12.414 2.061 -2.563 1.00 0.00 H new ATOM 0 HB ILE A 94 -13.692 3.471 -0.245 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -13.264 0.955 -0.206 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -14.905 1.495 0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -15.776 3.434 -1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -14.539 4.478 -2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -14.870 2.868 -2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -14.880 -0.413 -1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -15.494 1.052 -2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -13.827 0.503 -2.592 1.00 0.00 H new ATOM 1307 N GLY A 95 -11.524 4.009 -3.740 1.00 0.00 N ATOM 1308 CA GLY A 95 -11.167 5.165 -4.544 1.00 0.00 C ATOM 1309 C GLY A 95 -9.716 5.580 -4.291 1.00 0.00 C ATOM 1310 O GLY A 95 -9.057 6.121 -5.178 1.00 0.00 O ATOM 0 H GLY A 95 -11.339 3.108 -4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.304 4.934 -5.600 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.833 5.995 -4.310 1.00 0.00 H new ATOM 1314 N LYS A 96 -9.261 5.312 -3.075 1.00 0.00 N ATOM 1315 CA LYS A 96 -7.899 5.651 -2.695 1.00 0.00 C ATOM 1316 C LYS A 96 -6.945 5.251 -3.820 1.00 0.00 C ATOM 1317 O LYS A 96 -7.293 4.437 -4.674 1.00 0.00 O ATOM 1318 CB LYS A 96 -7.552 5.029 -1.341 1.00 0.00 C ATOM 1319 CG LYS A 96 -8.472 5.558 -0.240 1.00 0.00 C ATOM 1320 CD LYS A 96 -7.735 5.644 1.098 1.00 0.00 C ATOM 1321 CE LYS A 96 -8.259 6.810 1.939 1.00 0.00 C ATOM 1322 NZ LYS A 96 -9.399 6.374 2.775 1.00 0.00 N ATOM 0 H LYS A 96 -9.810 4.865 -2.341 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.797 6.728 -2.561 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.640 3.944 -1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.515 5.251 -1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.846 6.544 -0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.339 4.904 -0.140 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.860 4.710 1.647 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.667 5.770 0.921 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.461 7.196 2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.570 7.626 1.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.743 7.177 3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.165 6.027 2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.091 5.611 3.411 1.00 0.00 H new ATOM 1332 N THR A 97 -5.758 5.840 -3.784 1.00 0.00 N ATOM 1333 CA THR A 97 -4.750 5.555 -4.791 1.00 0.00 C ATOM 1334 C THR A 97 -3.407 5.246 -4.127 1.00 0.00 C ATOM 1335 O THR A 97 -2.418 5.938 -4.368 1.00 0.00 O ATOM 1336 CB THR A 97 -4.694 6.743 -5.754 1.00 0.00 C ATOM 1337 OG1 THR A 97 -3.873 6.283 -6.825 1.00 0.00 O ATOM 1338 CG2 THR A 97 -3.921 7.930 -5.175 1.00 0.00 C ATOM 0 H THR A 97 -5.472 6.513 -3.073 1.00 0.00 H new ATOM 0 HA THR A 97 -5.005 4.665 -5.366 1.00 0.00 H new ATOM 0 HB THR A 97 -5.708 7.057 -6.003 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.784 6.991 -7.497 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.911 8.746 -5.898 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.403 8.265 -4.257 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.897 7.626 -4.957 1.00 0.00 H new ATOM 1346 N TYR A 98 -3.414 4.207 -3.306 1.00 0.00 N ATOM 1347 CA TYR A 98 -2.208 3.798 -2.606 1.00 0.00 C ATOM 1348 C TYR A 98 -1.640 4.948 -1.774 1.00 0.00 C ATOM 1349 O TYR A 98 -1.826 4.991 -0.559 1.00 0.00 O ATOM 1350 CB TYR A 98 -1.197 3.423 -3.692 1.00 0.00 C ATOM 1351 CG TYR A 98 0.225 3.203 -3.169 1.00 0.00 C ATOM 1352 CD1 TYR A 98 0.432 2.462 -2.024 1.00 0.00 C ATOM 1353 CD2 TYR A 98 1.299 3.747 -3.844 1.00 0.00 C ATOM 1354 CE1 TYR A 98 1.770 2.257 -1.532 1.00 0.00 C ATOM 1355 CE2 TYR A 98 2.638 3.541 -3.352 1.00 0.00 C ATOM 1356 CZ TYR A 98 2.807 2.805 -2.221 1.00 0.00 C ATOM 1357 OH TYR A 98 4.070 2.611 -1.756 1.00 0.00 O ATOM 0 H TYR A 98 -4.236 3.636 -3.109 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.420 2.971 -1.928 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.535 2.514 -4.190 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.179 4.211 -4.445 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.409 2.036 -1.497 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.136 4.327 -4.740 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.946 1.681 -0.636 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.488 3.961 -3.870 1.00 0.00 H new ATOM 0 HH TYR A 98 4.709 3.059 -2.349 1.00 0.00 H new ATOM 1366 N SER A 99 -0.959 5.854 -2.461 1.00 0.00 N ATOM 1367 CA SER A 99 -0.364 7.003 -1.798 1.00 0.00 C ATOM 1368 C SER A 99 -1.286 7.502 -0.685 1.00 0.00 C ATOM 1369 O SER A 99 -0.816 8.012 0.331 1.00 0.00 O ATOM 1370 CB SER A 99 -0.082 8.127 -2.796 1.00 0.00 C ATOM 1371 OG SER A 99 -0.462 7.773 -4.123 1.00 0.00 O ATOM 0 H SER A 99 -0.806 5.816 -3.469 1.00 0.00 H new ATOM 0 HA SER A 99 0.585 6.692 -1.362 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.621 9.025 -2.492 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.980 8.371 -2.776 1.00 0.00 H new ATOM 0 HG SER A 99 -0.418 8.565 -4.698 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.581 7.336 -0.913 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.573 7.764 0.059 1.00 0.00 C ATOM 1378 C GLN A 100 -3.441 6.947 1.346 1.00 0.00 C ATOM 1379 O GLN A 100 -3.147 7.495 2.407 1.00 0.00 O ATOM 1380 CB GLN A 100 -4.985 7.657 -0.516 1.00 0.00 C ATOM 1381 CG GLN A 100 -5.401 8.962 -1.198 1.00 0.00 C ATOM 1382 CD GLN A 100 -6.684 9.520 -0.580 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -7.776 9.015 -0.793 1.00 0.00 O ATOM 1384 NE2 GLN A 100 -6.494 10.584 0.193 1.00 0.00 N ATOM 0 H GLN A 100 -2.966 6.911 -1.757 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.392 8.812 0.297 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.028 6.838 -1.234 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.689 7.419 0.281 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.600 9.696 -1.106 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.553 8.787 -2.263 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.553 10.955 0.328 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.289 11.030 0.651 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.666 5.647 1.209 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.575 4.750 2.348 1.00 0.00 C ATOM 1393 C VAL A 101 -2.220 4.933 3.032 1.00 0.00 C ATOM 1394 O VAL A 101 -2.126 4.875 4.258 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.826 3.307 1.898 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -5.305 3.083 1.579 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.946 2.946 0.700 1.00 0.00 C ATOM 0 H VAL A 101 -3.911 5.195 0.328 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.344 4.988 3.083 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.557 2.647 2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.457 2.051 1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.903 3.281 2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.611 3.757 0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.144 1.917 0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -3.170 3.615 -0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.896 3.049 0.976 1.00 0.00 H new ATOM 1407 N ILE A 102 -1.203 5.154 2.212 1.00 0.00 N ATOM 1408 CA ILE A 102 0.143 5.348 2.724 1.00 0.00 C ATOM 1409 C ILE A 102 0.110 6.373 3.859 1.00 0.00 C ATOM 1410 O ILE A 102 0.646 6.127 4.938 1.00 0.00 O ATOM 1411 CB ILE A 102 1.098 5.718 1.588 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.438 4.494 0.735 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.354 6.404 2.130 1.00 0.00 C ATOM 1414 CD1 ILE A 102 2.045 3.380 1.591 1.00 0.00 C ATOM 0 H ILE A 102 -1.284 5.203 1.196 1.00 0.00 H new ATOM 0 HA ILE A 102 0.529 4.420 3.145 1.00 0.00 H new ATOM 0 HB ILE A 102 0.594 6.433 0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.537 4.129 0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.139 4.777 -0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.016 6.657 1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.072 7.314 2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.870 5.731 2.815 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.277 2.522 0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 102 2.959 3.741 2.063 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.332 3.083 2.360 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.527 7.500 3.576 1.00 0.00 N ATOM 1426 CA ALA A 103 -0.638 8.564 4.560 1.00 0.00 C ATOM 1427 C ALA A 103 -1.262 8.007 5.840 1.00 0.00 C ATOM 1428 O ALA A 103 -0.761 8.249 6.937 1.00 0.00 O ATOM 1429 CB ALA A 103 -1.446 9.722 3.972 1.00 0.00 C ATOM 0 H ALA A 103 -0.971 7.700 2.680 1.00 0.00 H new ATOM 0 HA ALA A 103 0.347 8.953 4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.529 10.520 4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.943 10.102 3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.442 9.371 3.704 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.347 7.268 5.657 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.046 6.673 6.784 1.00 0.00 C ATOM 1437 C LEU A 104 -2.046 5.905 7.650 1.00 0.00 C ATOM 1438 O LEU A 104 -2.102 5.973 8.878 1.00 0.00 O ATOM 1439 CB LEU A 104 -4.219 5.822 6.298 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.355 6.577 5.604 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.412 5.609 5.070 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -5.959 7.631 6.533 1.00 0.00 C ATOM 0 H LEU A 104 -2.759 7.068 4.746 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.484 7.448 7.413 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.835 5.070 5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.634 5.288 7.153 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.940 7.104 4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.207 6.172 4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.954 4.930 4.351 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.829 5.034 5.897 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.764 8.153 6.016 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.355 7.146 7.425 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.189 8.346 6.821 1.00 0.00 H new ATOM 1453 N ILE A 105 -1.154 5.193 6.979 1.00 0.00 N ATOM 1454 CA ILE A 105 -0.142 4.412 7.673 1.00 0.00 C ATOM 1455 C ILE A 105 0.813 5.358 8.402 1.00 0.00 C ATOM 1456 O ILE A 105 1.122 5.151 9.574 1.00 0.00 O ATOM 1457 CB ILE A 105 0.556 3.458 6.702 1.00 0.00 C ATOM 1458 CG1 ILE A 105 -0.352 2.280 6.340 1.00 0.00 C ATOM 1459 CG2 ILE A 105 1.902 2.994 7.264 1.00 0.00 C ATOM 1460 CD1 ILE A 105 -0.065 1.783 4.923 1.00 0.00 C ATOM 0 H ILE A 105 -1.110 5.140 5.961 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.601 3.777 8.431 1.00 0.00 H new ATOM 0 HB ILE A 105 0.761 4.000 5.779 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.202 1.468 7.052 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.396 2.583 6.418 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.378 2.317 6.555 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.545 3.859 7.428 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.742 2.476 8.210 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.723 0.946 4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.240 2.590 4.212 1.00 0.00 H new ATOM 0 HD13 ILE A 105 0.973 1.458 4.855 1.00 0.00 H new ATOM 1471 N GLN A 106 1.256 6.376 7.679 1.00 0.00 N ATOM 1472 CA GLN A 106 2.169 7.355 8.242 1.00 0.00 C ATOM 1473 C GLN A 106 1.533 8.039 9.452 1.00 0.00 C ATOM 1474 O GLN A 106 2.203 8.287 10.454 1.00 0.00 O ATOM 1475 CB GLN A 106 2.591 8.381 7.189 1.00 0.00 C ATOM 1476 CG GLN A 106 3.546 7.759 6.168 1.00 0.00 C ATOM 1477 CD GLN A 106 4.803 8.615 5.999 1.00 0.00 C ATOM 1478 OE1 GLN A 106 5.192 9.371 6.875 1.00 0.00 O ATOM 1479 NE2 GLN A 106 5.413 8.455 4.829 1.00 0.00 N ATOM 0 H GLN A 106 0.999 6.544 6.706 1.00 0.00 H new ATOM 0 HA GLN A 106 3.068 6.836 8.575 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.709 8.767 6.679 1.00 0.00 H new ATOM 0 HB3 GLN A 106 3.074 9.228 7.675 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.826 6.756 6.490 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.040 7.656 5.208 1.00 0.00 H new ATOM 0 HE21 GLN A 106 5.033 7.805 4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.261 8.982 4.620 1.00 0.00 H new ATOM 1486 N ASN A 107 0.246 8.328 9.322 1.00 0.00 N ATOM 1487 CA ASN A 107 -0.487 8.980 10.392 1.00 0.00 C ATOM 1488 C ASN A 107 -1.290 7.932 11.167 1.00 0.00 C ATOM 1489 O ASN A 107 -2.281 8.261 11.818 1.00 0.00 O ATOM 1490 CB ASN A 107 -1.471 10.012 9.835 1.00 0.00 C ATOM 1491 CG ASN A 107 -0.776 11.352 9.586 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -0.414 12.074 10.501 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -0.610 11.644 8.299 1.00 0.00 N ATOM 0 H ASN A 107 -0.308 8.122 8.490 1.00 0.00 H new ATOM 0 HA ASN A 107 0.234 9.480 11.039 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -1.902 9.643 8.904 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.295 10.150 10.536 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -0.156 12.517 8.028 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -0.936 10.995 7.583 1.00 0.00 H new ATOM 1499 N SER A 108 -0.832 6.693 11.070 1.00 0.00 N ATOM 1500 CA SER A 108 -1.495 5.595 11.752 1.00 0.00 C ATOM 1501 C SER A 108 -1.697 5.943 13.229 1.00 0.00 C ATOM 1502 O SER A 108 -2.565 5.378 13.891 1.00 0.00 O ATOM 1503 CB SER A 108 -0.694 4.299 11.618 1.00 0.00 C ATOM 1504 OG SER A 108 0.653 4.455 12.056 1.00 0.00 O ATOM 0 H SER A 108 -0.010 6.425 10.529 1.00 0.00 H new ATOM 0 HA SER A 108 -2.467 5.439 11.285 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.176 3.514 12.200 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.701 3.974 10.577 1.00 0.00 H new ATOM 0 HG SER A 108 1.233 3.845 11.554 1.00 0.00 H new ATOM 1509 N ASP A 109 -0.879 6.872 13.703 1.00 0.00 N ATOM 1510 CA ASP A 109 -0.956 7.302 15.088 1.00 0.00 C ATOM 1511 C ASP A 109 -0.225 6.290 15.973 1.00 0.00 C ATOM 1512 O ASP A 109 0.710 5.629 15.524 1.00 0.00 O ATOM 1513 CB ASP A 109 -2.409 7.379 15.560 1.00 0.00 C ATOM 1514 CG ASP A 109 -2.691 8.456 16.609 1.00 0.00 C ATOM 1515 OD1 ASP A 109 -1.761 9.249 16.874 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -3.831 8.463 17.122 1.00 0.00 O ATOM 0 H ASP A 109 -0.159 7.339 13.151 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.500 8.289 15.161 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.047 7.559 14.695 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.694 6.410 15.970 1.00 0.00 H new ATOM 1520 N THR A 110 -0.677 6.201 17.214 1.00 0.00 N ATOM 1521 CA THR A 110 -0.077 5.282 18.166 1.00 0.00 C ATOM 1522 C THR A 110 0.200 3.933 17.501 1.00 0.00 C ATOM 1523 O THR A 110 1.349 3.501 17.422 1.00 0.00 O ATOM 1524 CB THR A 110 -1.008 5.183 19.378 1.00 0.00 C ATOM 1525 OG1 THR A 110 -0.980 6.491 19.944 1.00 0.00 O ATOM 1526 CG2 THR A 110 -0.438 4.288 20.480 1.00 0.00 C ATOM 0 H THR A 110 -1.453 6.751 17.583 1.00 0.00 H new ATOM 0 HA THR A 110 0.892 5.644 18.511 1.00 0.00 H new ATOM 0 HB THR A 110 -1.978 4.798 19.062 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.558 6.518 20.735 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.136 4.251 21.316 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.286 3.282 20.089 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.515 4.692 20.820 1.00 0.00 H new ATOM 1534 N THR A 111 -0.873 3.303 17.041 1.00 0.00 N ATOM 1535 CA THR A 111 -0.757 2.012 16.385 1.00 0.00 C ATOM 1536 C THR A 111 -1.209 2.113 14.928 1.00 0.00 C ATOM 1537 O THR A 111 -1.763 3.130 14.513 1.00 0.00 O ATOM 1538 CB THR A 111 -1.561 0.996 17.200 1.00 0.00 C ATOM 1539 OG1 THR A 111 -2.584 1.774 17.814 1.00 0.00 O ATOM 1540 CG2 THR A 111 -0.765 0.431 18.379 1.00 0.00 C ATOM 0 H THR A 111 -1.825 3.663 17.110 1.00 0.00 H new ATOM 0 HA THR A 111 0.280 1.677 16.349 1.00 0.00 H new ATOM 0 HB THR A 111 -1.878 0.180 16.551 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.153 1.193 18.361 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.381 -0.284 18.924 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.130 -0.069 18.008 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.476 1.243 19.046 1.00 0.00 H new ATOM 1548 N LEU A 112 -0.954 1.043 14.187 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.327 0.999 12.784 1.00 0.00 C ATOM 1550 C LEU A 112 -1.983 -0.349 12.477 1.00 0.00 C ATOM 1551 O LEU A 112 -1.329 -1.389 12.529 1.00 0.00 O ATOM 1552 CB LEU A 112 -0.117 1.307 11.899 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.398 1.432 10.399 1.00 0.00 C ATOM 1554 CD1 LEU A 112 0.063 0.181 9.649 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -1.873 1.744 10.142 1.00 0.00 C ATOM 0 H LEU A 112 -0.494 0.201 14.533 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.063 1.771 12.561 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.332 2.238 12.243 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.625 0.522 12.046 1.00 0.00 H new ATOM 0 HG LEU A 112 0.180 2.271 10.012 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.148 0.296 8.586 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.135 0.044 9.793 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.469 -0.690 10.033 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.046 1.828 9.069 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.490 0.942 10.547 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.136 2.685 10.626 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.270 -0.287 12.166 1.00 0.00 N ATOM 1567 CA GLU A 113 -4.023 -1.489 11.851 1.00 0.00 C ATOM 1568 C GLU A 113 -4.042 -1.724 10.340 1.00 0.00 C ATOM 1569 O GLU A 113 -4.281 -0.796 9.567 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.444 -1.407 12.412 1.00 0.00 C ATOM 1571 CG GLU A 113 -6.164 -2.752 12.281 1.00 0.00 C ATOM 1572 CD GLU A 113 -7.679 -2.558 12.208 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -8.239 -2.072 13.216 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -8.244 -2.900 11.146 1.00 0.00 O ATOM 0 H GLU A 113 -3.810 0.577 12.126 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.529 -2.338 12.323 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.408 -1.110 13.460 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.004 -0.637 11.881 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -5.817 -3.269 11.386 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.916 -3.386 13.132 1.00 0.00 H new ATOM 1579 N LEU A 114 -3.787 -2.968 9.963 1.00 0.00 N ATOM 1580 CA LEU A 114 -3.772 -3.336 8.557 1.00 0.00 C ATOM 1581 C LEU A 114 -4.833 -4.408 8.303 1.00 0.00 C ATOM 1582 O LEU A 114 -5.277 -5.080 9.233 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.363 -3.751 8.128 1.00 0.00 C ATOM 1584 CG LEU A 114 -1.333 -2.625 8.027 1.00 0.00 C ATOM 1585 CD1 LEU A 114 0.091 -3.177 8.101 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -1.558 -1.786 6.768 1.00 0.00 C ATOM 0 H LEU A 114 -3.589 -3.734 10.607 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.031 -2.479 7.936 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.993 -4.492 8.836 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.430 -4.243 7.158 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.467 -1.963 8.882 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.804 -2.356 8.027 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.232 -3.695 9.050 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.254 -3.874 7.279 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.812 -0.993 6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.468 -2.421 5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.555 -1.345 6.798 1.00 0.00 H new ATOM 1597 N SER A 115 -5.212 -4.533 7.040 1.00 0.00 N ATOM 1598 CA SER A 115 -6.213 -5.512 6.653 1.00 0.00 C ATOM 1599 C SER A 115 -5.757 -6.259 5.397 1.00 0.00 C ATOM 1600 O SER A 115 -5.485 -5.643 4.369 1.00 0.00 O ATOM 1601 CB SER A 115 -7.569 -4.846 6.410 1.00 0.00 C ATOM 1602 OG SER A 115 -7.631 -3.540 6.978 1.00 0.00 O ATOM 0 H SER A 115 -4.844 -3.973 6.271 1.00 0.00 H new ATOM 0 HA SER A 115 -6.329 -6.224 7.470 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.756 -4.784 5.338 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.359 -5.465 6.836 1.00 0.00 H new ATOM 0 HG SER A 115 -8.446 -3.455 7.515 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.687 -7.576 5.524 1.00 0.00 N ATOM 1608 CA VAL A 116 -5.269 -8.413 4.412 1.00 0.00 C ATOM 1609 C VAL A 116 -6.288 -9.538 4.215 1.00 0.00 C ATOM 1610 O VAL A 116 -7.388 -9.486 4.763 1.00 0.00 O ATOM 1611 CB VAL A 116 -3.850 -8.928 4.651 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -2.843 -7.775 4.677 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.773 -9.750 5.940 1.00 0.00 C ATOM 0 H VAL A 116 -5.913 -8.084 6.379 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.240 -7.835 3.488 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.589 -9.583 3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.842 -8.170 4.849 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.867 -7.249 3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.102 -7.083 5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.752 -10.104 6.085 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.065 -9.128 6.786 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.446 -10.604 5.868 1.00 0.00 H new ATOM 1623 N MET A 117 -5.885 -10.526 3.429 1.00 0.00 N ATOM 1624 CA MET A 117 -6.750 -11.659 3.151 1.00 0.00 C ATOM 1625 C MET A 117 -5.960 -12.811 2.525 1.00 0.00 C ATOM 1626 O MET A 117 -6.306 -13.291 1.448 1.00 0.00 O ATOM 1627 CB MET A 117 -7.868 -11.231 2.199 1.00 0.00 C ATOM 1628 CG MET A 117 -7.365 -10.187 1.199 1.00 0.00 C ATOM 1629 SD MET A 117 -6.313 -10.963 -0.016 1.00 0.00 S ATOM 1630 CE MET A 117 -4.714 -10.644 0.708 1.00 0.00 C ATOM 0 H MET A 117 -4.972 -10.565 2.977 1.00 0.00 H new ATOM 0 HA MET A 117 -7.177 -12.004 4.093 1.00 0.00 H new ATOM 0 HB2 MET A 117 -8.247 -12.101 1.663 1.00 0.00 H new ATOM 0 HB3 MET A 117 -8.701 -10.821 2.771 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.210 -9.706 0.706 1.00 0.00 H new ATOM 0 HG3 MET A 117 -6.815 -9.405 1.723 1.00 0.00 H new ATOM 0 HE1 MET A 117 -3.962 -10.592 -0.079 1.00 0.00 H new ATOM 0 HE2 MET A 117 -4.741 -9.697 1.247 1.00 0.00 H new ATOM 0 HE3 MET A 117 -4.461 -11.448 1.399 1.00 0.00 H new ATOM 1638 N PRO A 118 -4.886 -13.231 3.246 1.00 0.00 N ATOM 1639 CA PRO A 118 -4.044 -14.315 2.773 1.00 0.00 C ATOM 1640 C PRO A 118 -4.737 -15.667 2.955 1.00 0.00 C ATOM 1641 O PRO A 118 -5.770 -15.755 3.618 1.00 0.00 O ATOM 1642 CB PRO A 118 -2.759 -14.195 3.575 1.00 0.00 C ATOM 1643 CG PRO A 118 -3.101 -13.343 4.786 1.00 0.00 C ATOM 1644 CD PRO A 118 -4.447 -12.684 4.526 1.00 0.00 C ATOM 0 HA PRO A 118 -3.838 -14.251 1.704 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -2.395 -15.177 3.878 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -1.970 -13.732 2.982 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.144 -13.957 5.685 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -2.332 -12.589 4.952 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -5.159 -12.912 5.319 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.355 -11.599 4.482 1.00 0.00 H new ATOM 1649 N LYS A 119 -4.141 -16.688 2.356 1.00 0.00 N ATOM 1650 CA LYS A 119 -4.690 -18.032 2.444 1.00 0.00 C ATOM 1651 C LYS A 119 -3.544 -19.036 2.576 1.00 0.00 C ATOM 1652 O LYS A 119 -3.443 -19.739 3.581 1.00 0.00 O ATOM 1653 CB LYS A 119 -5.618 -18.309 1.260 1.00 0.00 C ATOM 1654 CG LYS A 119 -5.664 -19.805 0.939 1.00 0.00 C ATOM 1655 CD LYS A 119 -6.349 -20.585 2.061 1.00 0.00 C ATOM 1656 CE LYS A 119 -6.944 -21.893 1.536 1.00 0.00 C ATOM 1657 NZ LYS A 119 -8.048 -22.350 2.410 1.00 0.00 N ATOM 0 H LYS A 119 -3.284 -16.612 1.808 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.309 -18.135 3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.622 -17.951 1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.274 -17.756 0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.198 -19.963 0.002 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.651 -20.181 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.629 -20.800 2.851 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.136 -19.975 2.504 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.312 -21.750 0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -6.169 -22.658 1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -8.440 -23.239 2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -7.687 -22.507 3.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.794 -21.626 2.434 1.00 0.00 H new ATOM 1667 N ASP A 120 -2.710 -19.072 1.548 1.00 0.00 N ATOM 1668 CA ASP A 120 -1.576 -19.982 1.537 1.00 0.00 C ATOM 1669 C ASP A 120 -0.785 -19.818 2.836 1.00 0.00 C ATOM 1670 O ASP A 120 -0.293 -18.732 3.136 1.00 0.00 O ATOM 1671 CB ASP A 120 -0.635 -19.673 0.370 1.00 0.00 C ATOM 1672 CG ASP A 120 0.017 -20.897 -0.277 1.00 0.00 C ATOM 1673 OD1 ASP A 120 -0.713 -21.618 -0.992 1.00 0.00 O ATOM 1674 OD2 ASP A 120 1.229 -21.086 -0.041 1.00 0.00 O ATOM 0 H ASP A 120 -2.796 -18.487 0.717 1.00 0.00 H new ATOM 0 HA ASP A 120 -1.958 -20.998 1.435 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -1.193 -19.131 -0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 120 0.151 -19.006 0.724 1.00 0.00 H new ATOM 1678 N SER A 121 -0.688 -20.916 3.574 1.00 0.00 N ATOM 1679 CA SER A 121 0.034 -20.908 4.834 1.00 0.00 C ATOM 1680 C SER A 121 1.423 -21.524 4.645 1.00 0.00 C ATOM 1681 O SER A 121 1.730 -22.055 3.579 1.00 0.00 O ATOM 1682 CB SER A 121 -0.739 -21.665 5.916 1.00 0.00 C ATOM 1683 OG SER A 121 -0.916 -20.881 7.091 1.00 0.00 O ATOM 0 H SER A 121 -1.098 -21.816 3.322 1.00 0.00 H new ATOM 0 HA SER A 121 0.143 -19.873 5.159 1.00 0.00 H new ATOM 0 HB2 SER A 121 -1.713 -21.960 5.527 1.00 0.00 H new ATOM 0 HB3 SER A 121 -0.206 -22.582 6.168 1.00 0.00 H new ATOM 0 HG SER A 121 -1.415 -21.398 7.757 1.00 0.00 H new ATOM 1688 N GLY A 122 2.224 -21.432 5.696 1.00 0.00 N ATOM 1689 CA GLY A 122 3.572 -21.972 5.659 1.00 0.00 C ATOM 1690 C GLY A 122 4.105 -22.214 7.073 1.00 0.00 C ATOM 1691 O GLY A 122 3.715 -21.525 8.014 1.00 0.00 O ATOM 0 H GLY A 122 1.965 -20.991 6.579 1.00 0.00 H new ATOM 0 HA2 GLY A 122 3.578 -22.907 5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 122 4.230 -21.281 5.132 1.00 0.00 H new ATOM 1695 N PRO A 123 5.011 -23.222 7.181 1.00 0.00 N ATOM 1696 CA PRO A 123 5.601 -23.565 8.465 1.00 0.00 C ATOM 1697 C PRO A 123 6.650 -22.530 8.879 1.00 0.00 C ATOM 1698 O PRO A 123 7.385 -22.018 8.037 1.00 0.00 O ATOM 1699 CB PRO A 123 6.180 -24.956 8.273 1.00 0.00 C ATOM 1700 CG PRO A 123 6.306 -25.153 6.770 1.00 0.00 C ATOM 1701 CD PRO A 123 5.496 -24.061 6.090 1.00 0.00 C ATOM 0 HA PRO A 123 4.874 -23.561 9.278 1.00 0.00 H new ATOM 0 HB2 PRO A 123 7.150 -25.046 8.761 1.00 0.00 H new ATOM 0 HB3 PRO A 123 5.531 -25.713 8.713 1.00 0.00 H new ATOM 0 HG2 PRO A 123 7.351 -25.101 6.464 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.938 -26.138 6.481 1.00 0.00 H new ATOM 0 HD2 PRO A 123 6.109 -23.489 5.394 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.670 -24.481 5.516 1.00 0.00 H new ATOM 1706 N SER A 124 6.685 -22.257 10.175 1.00 0.00 N ATOM 1707 CA SER A 124 7.632 -21.294 10.710 1.00 0.00 C ATOM 1708 C SER A 124 8.890 -22.013 11.200 1.00 0.00 C ATOM 1709 O SER A 124 8.893 -22.600 12.280 1.00 0.00 O ATOM 1710 CB SER A 124 7.008 -20.483 11.848 1.00 0.00 C ATOM 1711 OG SER A 124 5.896 -19.711 11.404 1.00 0.00 O ATOM 0 H SER A 124 6.073 -22.686 10.870 1.00 0.00 H new ATOM 0 HA SER A 124 7.904 -20.603 9.912 1.00 0.00 H new ATOM 0 HB2 SER A 124 6.687 -21.158 12.641 1.00 0.00 H new ATOM 0 HB3 SER A 124 7.761 -19.822 12.277 1.00 0.00 H new ATOM 0 HG SER A 124 5.524 -19.209 12.159 1.00 0.00 H new ATOM 1716 N SER A 125 9.929 -21.945 10.379 1.00 0.00 N ATOM 1717 CA SER A 125 11.191 -22.583 10.715 1.00 0.00 C ATOM 1718 C SER A 125 11.901 -21.792 11.815 1.00 0.00 C ATOM 1719 O SER A 125 11.515 -20.664 12.120 1.00 0.00 O ATOM 1720 CB SER A 125 12.090 -22.706 9.484 1.00 0.00 C ATOM 1721 OG SER A 125 11.985 -21.570 8.630 1.00 0.00 O ATOM 0 H SER A 125 9.922 -21.458 9.483 1.00 0.00 H new ATOM 0 HA SER A 125 10.980 -23.589 11.079 1.00 0.00 H new ATOM 0 HB2 SER A 125 13.126 -22.826 9.802 1.00 0.00 H new ATOM 0 HB3 SER A 125 11.822 -23.604 8.927 1.00 0.00 H new ATOM 0 HG SER A 125 12.576 -21.686 7.857 1.00 0.00 H new ATOM 1726 N GLY A 126 12.926 -22.413 12.378 1.00 0.00 N ATOM 1727 CA GLY A 126 13.693 -21.780 13.438 1.00 0.00 C ATOM 1728 C GLY A 126 15.048 -22.469 13.619 1.00 0.00 C ATOM 1729 O GLY A 126 16.066 -21.981 13.132 1.00 0.00 O ATOM 0 H GLY A 126 13.244 -23.347 12.121 1.00 0.00 H new ATOM 0 HA2 GLY A 126 13.845 -20.727 13.203 1.00 0.00 H new ATOM 0 HA3 GLY A 126 13.132 -21.821 14.372 1.00 0.00 H new TER 1733 GLY A 126