USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 740 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 95 GLN : amide:sc= 0.716 K(o=1.8,f=-3.9) USER MOD Set 1.2: A 98 LYS NZ :NH3+ 173:sc= 1.13 (180deg=0) USER MOD Set 2.1: A 16 GLN : amide:sc= -0.638 K(o=-0.73,f=-5.4!) USER MOD Set 2.2: A 70 MET CE :methyl 135:sc= -0.0921 (180deg=0) USER MOD Set 3.1: A 65 LYS NZ :NH3+ -176:sc= 0.0042 (180deg=-0.0162) USER MOD Set 3.2: A 71 MET CE :methyl -162:sc= -1.84 (180deg=-2.93) USER MOD Single : A 20 SER OG : rot 180:sc=-0.00426 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -49:sc= -1.35 USER MOD Single : A 28 LYS NZ :NH3+ -122:sc= 0.629 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.468 X(o=-0.47,f=-0.51) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -175:sc= -1.01 (180deg=-1.09) USER MOD Single : A 49 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.7!) USER MOD Single : A 51 GLN : amide:sc= -0.0629 X(o=-0.063,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -1.61 K(o=-1.6,f=-0.93) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -169:sc= -2.5! (180deg=-2.83!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -95:sc= 1.12 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.236 K(o=-0.24,f=-1!) USER MOD Single : A 77 GLN : amide:sc= -0.331 X(o=-0.33,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 155:sc= -0.0735 (180deg=-0.48) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -174:sc= -0.236 (180deg=-0.327) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -52:sc= 0.0591 USER MOD Single : A 92 SER OG : rot 77:sc= 0.441 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -160:sc= 0.589 (180deg=-0.47) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN : amide:sc= -0.244 X(o=-0.24,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 16 -5.905 -25.469 -0.782 1.00 0.00 N ATOM 2 CA GLN A 16 -4.977 -26.147 0.115 1.00 0.00 C ATOM 3 C GLN A 16 -4.130 -25.140 0.889 1.00 0.00 C ATOM 4 O GLN A 16 -2.914 -25.065 0.708 1.00 0.00 O ATOM 5 CB GLN A 16 -4.072 -27.094 -0.677 1.00 0.00 C ATOM 6 CG GLN A 16 -3.503 -26.475 -1.944 1.00 0.00 C ATOM 7 CD GLN A 16 -1.997 -26.622 -2.041 1.00 0.00 C ATOM 8 OE1 GLN A 16 -1.400 -27.473 -1.378 1.00 0.00 O ATOM 9 NE2 GLN A 16 -1.373 -25.793 -2.869 1.00 0.00 N ATOM 0 HA GLN A 16 -5.560 -26.726 0.831 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.249 -27.415 -0.038 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.638 -27.987 -0.942 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.966 -26.943 -2.812 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.764 -25.417 -1.975 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.907 -25.104 -3.399 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.360 -25.845 -2.976 1.00 0.00 H new ATOM 18 N GLY A 17 -4.783 -24.368 1.753 1.00 0.00 N ATOM 19 CA GLY A 17 -4.075 -23.379 2.543 1.00 0.00 C ATOM 20 C GLY A 17 -4.800 -22.047 2.595 1.00 0.00 C ATOM 21 O GLY A 17 -4.334 -21.063 2.020 1.00 0.00 O ATOM 0 H GLY A 17 -5.788 -24.410 1.919 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.942 -23.756 3.557 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.079 -23.231 2.125 1.00 0.00 H new ATOM 25 N PRO A 18 -5.955 -21.983 3.280 1.00 0.00 N ATOM 26 CA PRO A 18 -6.736 -20.748 3.396 1.00 0.00 C ATOM 27 C PRO A 18 -6.105 -19.754 4.365 1.00 0.00 C ATOM 28 O PRO A 18 -6.219 -18.541 4.188 1.00 0.00 O ATOM 29 CB PRO A 18 -8.082 -21.236 3.931 1.00 0.00 C ATOM 30 CG PRO A 18 -7.752 -22.465 4.704 1.00 0.00 C ATOM 31 CD PRO A 18 -6.588 -23.106 3.996 1.00 0.00 C ATOM 0 HA PRO A 18 -6.805 -20.215 2.448 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.554 -20.484 4.563 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.777 -21.452 3.120 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.494 -22.219 5.734 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.605 -23.142 4.742 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.898 -23.572 4.700 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.917 -23.885 3.308 1.00 0.00 H new ATOM 39 N GLY A 19 -5.440 -20.277 5.391 1.00 0.00 N ATOM 40 CA GLY A 19 -4.801 -19.423 6.375 1.00 0.00 C ATOM 41 C GLY A 19 -3.616 -18.668 5.807 1.00 0.00 C ATOM 42 O GLY A 19 -2.467 -18.963 6.139 1.00 0.00 O ATOM 0 H GLY A 19 -5.333 -21.277 5.558 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.530 -18.711 6.761 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.471 -20.030 7.218 1.00 0.00 H new ATOM 46 N SER A 20 -3.893 -17.691 4.951 1.00 0.00 N ATOM 47 CA SER A 20 -2.840 -16.890 4.336 1.00 0.00 C ATOM 48 C SER A 20 -3.434 -15.813 3.435 1.00 0.00 C ATOM 49 O SER A 20 -2.955 -14.679 3.408 1.00 0.00 O ATOM 50 CB SER A 20 -1.896 -17.783 3.529 1.00 0.00 C ATOM 51 OG SER A 20 -2.599 -18.848 2.915 1.00 0.00 O ATOM 0 H SER A 20 -4.838 -17.434 4.667 1.00 0.00 H new ATOM 0 HA SER A 20 -2.276 -16.403 5.132 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.392 -17.189 2.767 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.122 -18.184 4.184 1.00 0.00 H new ATOM 0 HG SER A 20 -1.972 -19.402 2.405 1.00 0.00 H new ATOM 57 N LEU A 21 -4.479 -16.175 2.698 1.00 0.00 N ATOM 58 CA LEU A 21 -5.139 -15.239 1.796 1.00 0.00 C ATOM 59 C LEU A 21 -5.781 -14.092 2.571 1.00 0.00 C ATOM 60 O LEU A 21 -5.852 -12.965 2.082 1.00 0.00 O ATOM 61 CB LEU A 21 -6.199 -15.963 0.961 1.00 0.00 C ATOM 62 CG LEU A 21 -5.653 -16.983 -0.041 1.00 0.00 C ATOM 63 CD1 LEU A 21 -5.827 -18.399 0.489 1.00 0.00 C ATOM 64 CD2 LEU A 21 -6.342 -16.832 -1.390 1.00 0.00 C ATOM 0 H LEU A 21 -4.887 -17.110 2.708 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.383 -14.823 1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.885 -16.473 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.781 -15.219 0.417 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.588 -16.793 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.433 -19.110 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.287 -18.504 1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.886 -18.598 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.940 -17.566 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.413 -16.993 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.167 -15.828 -1.778 1.00 0.00 H new ATOM 76 N VAL A 22 -6.249 -14.387 3.779 1.00 0.00 N ATOM 77 CA VAL A 22 -6.890 -13.379 4.615 1.00 0.00 C ATOM 78 C VAL A 22 -5.921 -12.254 4.968 1.00 0.00 C ATOM 79 O VAL A 22 -6.219 -11.080 4.755 1.00 0.00 O ATOM 80 CB VAL A 22 -7.436 -13.993 5.919 1.00 0.00 C ATOM 81 CG1 VAL A 22 -8.228 -12.960 6.708 1.00 0.00 C ATOM 82 CG2 VAL A 22 -8.293 -15.215 5.617 1.00 0.00 C ATOM 0 H VAL A 22 -6.197 -15.314 4.200 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.719 -12.973 4.035 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.591 -14.311 6.529 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.605 -13.413 7.625 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.581 -12.119 6.958 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.066 -12.607 6.107 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.670 -15.635 6.550 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.132 -14.924 4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.692 -15.962 5.099 1.00 0.00 H new ATOM 92 N LYS A 23 -4.758 -12.621 5.504 1.00 0.00 N ATOM 93 CA LYS A 23 -3.744 -11.639 5.886 1.00 0.00 C ATOM 94 C LYS A 23 -3.401 -10.728 4.715 1.00 0.00 C ATOM 95 O LYS A 23 -3.318 -9.509 4.867 1.00 0.00 O ATOM 96 CB LYS A 23 -2.484 -12.346 6.390 1.00 0.00 C ATOM 97 CG LYS A 23 -1.896 -11.718 7.643 1.00 0.00 C ATOM 98 CD LYS A 23 -2.263 -12.508 8.888 1.00 0.00 C ATOM 99 CE LYS A 23 -1.584 -11.946 10.127 1.00 0.00 C ATOM 100 NZ LYS A 23 -1.582 -12.921 11.252 1.00 0.00 N ATOM 0 H LYS A 23 -4.495 -13.590 5.683 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.151 -11.025 6.689 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.720 -13.391 6.593 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.732 -12.337 5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.811 -11.666 7.550 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.257 -10.694 7.741 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.344 -12.491 9.025 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.975 -13.551 8.756 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.558 -11.670 9.884 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.094 -11.034 10.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.110 -12.498 12.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.562 -13.165 11.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.073 -13.781 10.965 1.00 0.00 H new ATOM 114 N VAL A 24 -3.211 -11.327 3.545 1.00 0.00 N ATOM 115 CA VAL A 24 -2.887 -10.564 2.346 1.00 0.00 C ATOM 116 C VAL A 24 -3.959 -9.514 2.082 1.00 0.00 C ATOM 117 O VAL A 24 -3.658 -8.336 1.873 1.00 0.00 O ATOM 118 CB VAL A 24 -2.753 -11.479 1.113 1.00 0.00 C ATOM 119 CG1 VAL A 24 -2.134 -10.720 -0.053 1.00 0.00 C ATOM 120 CG2 VAL A 24 -1.933 -12.717 1.449 1.00 0.00 C ATOM 0 H VAL A 24 -3.275 -12.335 3.401 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.928 -10.075 2.518 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.751 -11.803 0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.048 -11.383 -0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.766 -9.871 -0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.144 -10.362 0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.850 -13.350 0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.937 -12.416 1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.424 -13.273 2.248 1.00 0.00 H new ATOM 130 N GLY A 25 -5.217 -9.945 2.114 1.00 0.00 N ATOM 131 CA GLY A 25 -6.316 -9.026 1.899 1.00 0.00 C ATOM 132 C GLY A 25 -6.354 -7.946 2.960 1.00 0.00 C ATOM 133 O GLY A 25 -6.605 -6.775 2.663 1.00 0.00 O ATOM 0 H GLY A 25 -5.492 -10.912 2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.220 -8.567 0.915 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.257 -9.576 1.904 1.00 0.00 H new ATOM 137 N THR A 26 -6.087 -8.337 4.204 1.00 0.00 N ATOM 138 CA THR A 26 -6.078 -7.387 5.305 1.00 0.00 C ATOM 139 C THR A 26 -5.088 -6.264 5.008 1.00 0.00 C ATOM 140 O THR A 26 -5.379 -5.081 5.216 1.00 0.00 O ATOM 141 CB THR A 26 -5.727 -8.077 6.625 1.00 0.00 C ATOM 142 OG1 THR A 26 -5.660 -9.480 6.460 1.00 0.00 O ATOM 143 CG2 THR A 26 -6.721 -7.793 7.730 1.00 0.00 C ATOM 0 H THR A 26 -5.876 -9.299 4.470 1.00 0.00 H new ATOM 0 HA THR A 26 -7.078 -6.965 5.407 1.00 0.00 H new ATOM 0 HB THR A 26 -4.758 -7.669 6.913 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.461 -9.793 5.989 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.414 -8.312 8.638 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.758 -6.720 7.920 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.709 -8.142 7.429 1.00 0.00 H new ATOM 151 N LEU A 27 -3.925 -6.640 4.480 1.00 0.00 N ATOM 152 CA LEU A 27 -2.914 -5.660 4.116 1.00 0.00 C ATOM 153 C LEU A 27 -3.496 -4.718 3.080 1.00 0.00 C ATOM 154 O LEU A 27 -3.287 -3.506 3.138 1.00 0.00 O ATOM 155 CB LEU A 27 -1.659 -6.348 3.573 1.00 0.00 C ATOM 156 CG LEU A 27 -0.338 -5.715 4.007 1.00 0.00 C ATOM 157 CD1 LEU A 27 0.805 -6.705 3.847 1.00 0.00 C ATOM 158 CD2 LEU A 27 -0.065 -4.450 3.210 1.00 0.00 C ATOM 0 H LEU A 27 -3.664 -7.609 4.297 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.623 -5.095 5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.667 -7.390 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.705 -6.347 2.484 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.415 -5.446 5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.738 -6.237 4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.614 -7.584 4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.883 -7.005 2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.880 -4.013 3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.008 -4.694 2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.871 -3.735 3.376 1.00 0.00 H new ATOM 170 N LYS A 28 -4.272 -5.281 2.154 1.00 0.00 N ATOM 171 CA LYS A 28 -4.929 -4.478 1.135 1.00 0.00 C ATOM 172 C LYS A 28 -5.726 -3.380 1.828 1.00 0.00 C ATOM 173 O LYS A 28 -5.808 -2.248 1.345 1.00 0.00 O ATOM 174 CB LYS A 28 -5.851 -5.345 0.274 1.00 0.00 C ATOM 175 CG LYS A 28 -5.769 -5.030 -1.211 1.00 0.00 C ATOM 176 CD LYS A 28 -6.367 -6.146 -2.050 1.00 0.00 C ATOM 177 CE LYS A 28 -5.979 -6.014 -3.513 1.00 0.00 C ATOM 178 NZ LYS A 28 -7.053 -5.372 -4.319 1.00 0.00 N ATOM 0 H LYS A 28 -4.457 -6.282 2.092 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.181 -4.036 0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.599 -6.394 0.429 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.880 -5.211 0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.295 -4.097 -1.416 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.728 -4.878 -1.495 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.029 -7.110 -1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.453 -6.130 -1.958 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.065 -5.426 -3.594 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.761 -7.001 -3.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.339 -6.011 -5.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.873 -5.174 -3.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.699 -4.482 -4.723 1.00 0.00 H new ATOM 192 N LYS A 29 -6.278 -3.723 2.993 1.00 0.00 N ATOM 193 CA LYS A 29 -7.030 -2.766 3.792 1.00 0.00 C ATOM 194 C LYS A 29 -6.122 -1.607 4.166 1.00 0.00 C ATOM 195 O LYS A 29 -6.481 -0.440 4.007 1.00 0.00 O ATOM 196 CB LYS A 29 -7.568 -3.414 5.067 1.00 0.00 C ATOM 197 CG LYS A 29 -8.082 -4.826 4.874 1.00 0.00 C ATOM 198 CD LYS A 29 -9.557 -4.926 5.188 1.00 0.00 C ATOM 199 CE LYS A 29 -10.239 -5.997 4.351 1.00 0.00 C ATOM 200 NZ LYS A 29 -11.698 -6.081 4.634 1.00 0.00 N ATOM 0 H LYS A 29 -6.216 -4.656 3.400 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.876 -2.413 3.202 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.777 -3.426 5.817 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.374 -2.796 5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.906 -5.141 3.846 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.525 -5.508 5.516 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.689 -5.152 6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.034 -3.963 5.006 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.087 -5.782 3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.775 -6.963 4.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.124 -6.823 4.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.844 -6.311 5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.146 -5.167 4.420 1.00 0.00 H new ATOM 214 N ARG A 30 -4.929 -1.945 4.659 1.00 0.00 N ATOM 215 CA ARG A 30 -3.952 -0.933 5.046 1.00 0.00 C ATOM 216 C ARG A 30 -3.677 0.013 3.882 1.00 0.00 C ATOM 217 O ARG A 30 -3.440 1.207 4.074 1.00 0.00 O ATOM 218 CB ARG A 30 -2.650 -1.596 5.505 1.00 0.00 C ATOM 219 CG ARG A 30 -2.022 -0.927 6.717 1.00 0.00 C ATOM 220 CD ARG A 30 -2.288 -1.714 7.989 1.00 0.00 C ATOM 221 NE ARG A 30 -3.513 -1.282 8.656 1.00 0.00 N ATOM 222 CZ ARG A 30 -3.797 -1.542 9.931 1.00 0.00 C ATOM 223 NH1 ARG A 30 -2.944 -2.230 10.680 1.00 0.00 N ATOM 224 NH2 ARG A 30 -4.934 -1.111 10.459 1.00 0.00 N ATOM 0 H ARG A 30 -4.620 -2.907 4.798 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.363 -0.357 5.875 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.847 -2.642 5.739 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.935 -1.583 4.682 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.947 -0.832 6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.419 0.083 6.823 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.361 -2.775 7.750 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.445 -1.598 8.670 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.192 -0.749 8.113 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.067 -2.562 10.280 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.166 -2.427 11.656 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.592 -0.580 9.889 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.151 -1.311 11.436 1.00 0.00 H new ATOM 238 N LEU A 31 -3.722 -0.531 2.669 1.00 0.00 N ATOM 239 CA LEU A 31 -3.493 0.262 1.469 1.00 0.00 C ATOM 240 C LEU A 31 -4.574 1.326 1.326 1.00 0.00 C ATOM 241 O LEU A 31 -4.281 2.505 1.130 1.00 0.00 O ATOM 242 CB LEU A 31 -3.470 -0.640 0.232 1.00 0.00 C ATOM 243 CG LEU A 31 -2.100 -0.797 -0.427 1.00 0.00 C ATOM 244 CD1 LEU A 31 -1.202 -1.688 0.417 1.00 0.00 C ATOM 245 CD2 LEU A 31 -2.247 -1.362 -1.830 1.00 0.00 C ATOM 0 H LEU A 31 -3.915 -1.517 2.493 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.526 0.756 1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.836 -1.627 0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.167 -0.240 -0.504 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.637 0.187 -0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.231 -1.789 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.071 -1.243 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.660 -2.672 0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.262 -1.467 -2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.730 -2.338 -1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.854 -0.687 -2.432 1.00 0.00 H new ATOM 257 N ASP A 32 -5.829 0.899 1.441 1.00 0.00 N ATOM 258 CA ASP A 32 -6.957 1.817 1.339 1.00 0.00 C ATOM 259 C ASP A 32 -6.864 2.891 2.415 1.00 0.00 C ATOM 260 O ASP A 32 -7.265 4.035 2.204 1.00 0.00 O ATOM 261 CB ASP A 32 -8.277 1.053 1.469 1.00 0.00 C ATOM 262 CG ASP A 32 -8.543 0.152 0.280 1.00 0.00 C ATOM 263 OD1 ASP A 32 -7.853 -0.883 0.153 1.00 0.00 O ATOM 264 OD2 ASP A 32 -9.441 0.478 -0.524 1.00 0.00 O ATOM 0 H ASP A 32 -6.089 -0.074 1.604 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.926 2.298 0.361 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.258 0.453 2.379 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.096 1.764 1.573 1.00 0.00 H new ATOM 269 N LYS A 33 -6.320 2.514 3.568 1.00 0.00 N ATOM 270 CA LYS A 33 -6.159 3.441 4.680 1.00 0.00 C ATOM 271 C LYS A 33 -5.238 4.589 4.282 1.00 0.00 C ATOM 272 O LYS A 33 -5.536 5.756 4.536 1.00 0.00 O ATOM 273 CB LYS A 33 -5.596 2.707 5.903 1.00 0.00 C ATOM 274 CG LYS A 33 -5.196 3.627 7.046 1.00 0.00 C ATOM 275 CD LYS A 33 -6.410 4.289 7.682 1.00 0.00 C ATOM 276 CE LYS A 33 -6.779 3.623 8.995 1.00 0.00 C ATOM 277 NZ LYS A 33 -7.487 4.559 9.914 1.00 0.00 N ATOM 0 H LYS A 33 -5.983 1.570 3.756 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.135 3.852 4.937 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.342 1.999 6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.726 2.126 5.597 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.655 3.057 7.801 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.515 4.393 6.676 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.202 5.345 7.854 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.255 4.238 6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.413 2.759 8.798 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.876 3.252 9.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.721 4.066 10.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.872 5.372 10.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.362 4.894 9.462 1.00 0.00 H new ATOM 291 N PHE A 34 -4.118 4.249 3.648 1.00 0.00 N ATOM 292 CA PHE A 34 -3.157 5.254 3.209 1.00 0.00 C ATOM 293 C PHE A 34 -3.805 6.226 2.228 1.00 0.00 C ATOM 294 O PHE A 34 -3.706 7.442 2.386 1.00 0.00 O ATOM 295 CB PHE A 34 -1.944 4.584 2.561 1.00 0.00 C ATOM 296 CG PHE A 34 -1.384 3.445 3.365 1.00 0.00 C ATOM 297 CD1 PHE A 34 -1.287 3.533 4.745 1.00 0.00 C ATOM 298 CD2 PHE A 34 -0.955 2.284 2.741 1.00 0.00 C ATOM 299 CE1 PHE A 34 -0.774 2.487 5.487 1.00 0.00 C ATOM 300 CE2 PHE A 34 -0.440 1.235 3.478 1.00 0.00 C ATOM 301 CZ PHE A 34 -0.349 1.336 4.852 1.00 0.00 C ATOM 0 H PHE A 34 -3.855 3.288 3.428 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.825 5.814 4.083 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.226 4.217 1.574 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.164 5.330 2.412 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.617 4.431 5.246 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.024 2.198 1.667 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.705 2.569 6.562 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.109 0.336 2.979 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.054 0.517 5.429 1.00 0.00 H new ATOM 311 N ASN A 35 -4.469 5.679 1.213 1.00 0.00 N ATOM 312 CA ASN A 35 -5.137 6.497 0.206 1.00 0.00 C ATOM 313 C ASN A 35 -6.099 7.486 0.858 1.00 0.00 C ATOM 314 O ASN A 35 -6.213 8.634 0.426 1.00 0.00 O ATOM 315 CB ASN A 35 -5.892 5.609 -0.784 1.00 0.00 C ATOM 316 CG ASN A 35 -4.978 4.998 -1.828 1.00 0.00 C ATOM 317 OD1 ASN A 35 -4.289 5.709 -2.559 1.00 0.00 O ATOM 318 ND2 ASN A 35 -4.968 3.672 -1.902 1.00 0.00 N ATOM 0 H ASN A 35 -4.558 4.674 1.067 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.375 7.061 -0.332 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.400 4.813 -0.239 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.663 6.198 -1.281 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.373 3.204 -2.585 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.556 3.122 -1.276 1.00 0.00 H new ATOM 325 N GLU A 36 -6.785 7.037 1.905 1.00 0.00 N ATOM 326 CA GLU A 36 -7.732 7.886 2.619 1.00 0.00 C ATOM 327 C GLU A 36 -7.025 9.100 3.208 1.00 0.00 C ATOM 328 O GLU A 36 -7.441 10.241 2.998 1.00 0.00 O ATOM 329 CB GLU A 36 -8.427 7.097 3.730 1.00 0.00 C ATOM 330 CG GLU A 36 -9.885 7.476 3.927 1.00 0.00 C ATOM 331 CD GLU A 36 -10.092 8.408 5.106 1.00 0.00 C ATOM 332 OE1 GLU A 36 -9.935 9.634 4.929 1.00 0.00 O ATOM 333 OE2 GLU A 36 -10.408 7.911 6.207 1.00 0.00 O ATOM 0 H GLU A 36 -6.703 6.091 2.277 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.484 8.229 1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.365 6.033 3.502 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.890 7.254 4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.258 7.954 3.021 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.475 6.571 4.076 1.00 0.00 H new ATOM 340 N VAL A 37 -5.949 8.847 3.941 1.00 0.00 N ATOM 341 CA VAL A 37 -5.173 9.914 4.559 1.00 0.00 C ATOM 342 C VAL A 37 -4.570 10.828 3.497 1.00 0.00 C ATOM 343 O VAL A 37 -4.502 12.044 3.674 1.00 0.00 O ATOM 344 CB VAL A 37 -4.043 9.354 5.443 1.00 0.00 C ATOM 345 CG1 VAL A 37 -3.343 10.475 6.195 1.00 0.00 C ATOM 346 CG2 VAL A 37 -4.590 8.313 6.412 1.00 0.00 C ATOM 0 H VAL A 37 -5.593 7.909 4.123 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.858 10.484 5.186 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.310 8.870 4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.548 10.058 6.813 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.916 11.180 5.482 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.063 10.992 6.830 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.778 7.928 7.029 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.345 8.772 7.051 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.039 7.494 5.851 1.00 0.00 H new ATOM 356 N VAL A 38 -4.137 10.230 2.392 1.00 0.00 N ATOM 357 CA VAL A 38 -3.542 10.984 1.295 1.00 0.00 C ATOM 358 C VAL A 38 -4.552 11.955 0.689 1.00 0.00 C ATOM 359 O VAL A 38 -4.197 13.062 0.281 1.00 0.00 O ATOM 360 CB VAL A 38 -3.015 10.043 0.194 1.00 0.00 C ATOM 361 CG1 VAL A 38 -2.372 10.835 -0.937 1.00 0.00 C ATOM 362 CG2 VAL A 38 -2.028 9.043 0.777 1.00 0.00 C ATOM 0 H VAL A 38 -4.187 9.224 2.233 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.706 11.549 1.707 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.861 9.494 -0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.008 10.148 -1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.109 11.508 -1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.538 11.417 -0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.666 8.386 -0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.187 9.577 1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.523 8.448 1.544 1.00 0.00 H new ATOM 372 N SER A 39 -5.810 11.532 0.631 1.00 0.00 N ATOM 373 CA SER A 39 -6.872 12.364 0.075 1.00 0.00 C ATOM 374 C SER A 39 -7.274 13.461 1.055 1.00 0.00 C ATOM 375 O SER A 39 -7.716 14.537 0.648 1.00 0.00 O ATOM 376 CB SER A 39 -8.088 11.504 -0.275 1.00 0.00 C ATOM 377 OG SER A 39 -7.918 10.865 -1.529 1.00 0.00 O ATOM 0 H SER A 39 -6.120 10.618 0.962 1.00 0.00 H new ATOM 0 HA SER A 39 -6.495 12.835 -0.832 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.242 10.754 0.501 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.983 12.126 -0.299 1.00 0.00 H new ATOM 0 HG SER A 39 -8.708 10.320 -1.728 1.00 0.00 H new ATOM 383 N ALA A 40 -7.123 13.183 2.346 1.00 0.00 N ATOM 384 CA ALA A 40 -7.473 14.148 3.381 1.00 0.00 C ATOM 385 C ALA A 40 -6.373 15.190 3.565 1.00 0.00 C ATOM 386 O ALA A 40 -6.645 16.328 3.946 1.00 0.00 O ATOM 387 CB ALA A 40 -7.750 13.432 4.695 1.00 0.00 C ATOM 0 H ALA A 40 -6.761 12.298 2.700 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.376 14.669 3.063 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.010 14.163 5.460 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.578 12.735 4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.861 12.884 5.005 1.00 0.00 H new ATOM 393 N LEU A 41 -5.134 14.795 3.293 1.00 0.00 N ATOM 394 CA LEU A 41 -3.999 15.701 3.433 1.00 0.00 C ATOM 395 C LEU A 41 -3.686 16.393 2.111 1.00 0.00 C ATOM 396 O LEU A 41 -3.297 17.561 2.086 1.00 0.00 O ATOM 397 CB LEU A 41 -2.766 14.939 3.928 1.00 0.00 C ATOM 398 CG LEU A 41 -2.124 14.000 2.906 1.00 0.00 C ATOM 399 CD1 LEU A 41 -1.151 14.762 2.016 1.00 0.00 C ATOM 400 CD2 LEU A 41 -1.419 12.851 3.607 1.00 0.00 C ATOM 0 H LEU A 41 -4.890 13.857 2.975 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.265 16.462 4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.018 15.663 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.047 14.357 4.805 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.912 13.587 2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.704 14.077 1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.685 15.550 1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.367 15.205 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.968 12.193 2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.642 13.246 4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.141 12.288 4.199 1.00 0.00 H new ATOM 412 N LYS A 42 -3.858 15.664 1.013 1.00 0.00 N ATOM 413 CA LYS A 42 -3.593 16.206 -0.315 1.00 0.00 C ATOM 414 C LYS A 42 -2.150 16.678 -0.433 1.00 0.00 C ATOM 415 O LYS A 42 -1.791 17.748 0.061 1.00 0.00 O ATOM 416 CB LYS A 42 -4.542 17.363 -0.619 1.00 0.00 C ATOM 417 CG LYS A 42 -5.979 17.103 -0.196 1.00 0.00 C ATOM 418 CD LYS A 42 -6.360 17.923 1.028 1.00 0.00 C ATOM 419 CE LYS A 42 -7.862 17.913 1.260 1.00 0.00 C ATOM 420 NZ LYS A 42 -8.304 19.070 2.090 1.00 0.00 N ATOM 0 H LYS A 42 -4.180 14.696 1.017 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.758 15.409 -1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.181 18.259 -0.115 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.519 17.568 -1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.651 17.344 -1.020 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.109 16.043 0.021 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.852 17.525 1.906 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.017 18.950 0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.378 17.937 0.300 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.147 16.983 1.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.334 19.027 2.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.831 19.034 3.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.055 19.958 1.609 1.00 0.00 H new ATOM 434 N ASP A 43 -1.326 15.870 -1.091 1.00 0.00 N ATOM 435 CA ASP A 43 0.085 16.193 -1.281 1.00 0.00 C ATOM 436 C ASP A 43 0.817 15.038 -1.957 1.00 0.00 C ATOM 437 O ASP A 43 0.814 13.913 -1.457 1.00 0.00 O ATOM 438 CB ASP A 43 0.751 16.517 0.060 1.00 0.00 C ATOM 439 CG ASP A 43 1.575 17.788 0.006 1.00 0.00 C ATOM 440 OD1 ASP A 43 1.108 18.773 -0.603 1.00 0.00 O ATOM 441 OD2 ASP A 43 2.689 17.798 0.570 1.00 0.00 O ATOM 0 H ASP A 43 -1.612 14.982 -1.504 1.00 0.00 H new ATOM 0 HA ASP A 43 0.144 17.071 -1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.016 16.617 0.828 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.391 15.685 0.355 1.00 0.00 H new ATOM 446 N GLY A 44 1.442 15.321 -3.095 1.00 0.00 N ATOM 447 CA GLY A 44 2.168 14.293 -3.817 1.00 0.00 C ATOM 448 C GLY A 44 1.287 13.119 -4.196 1.00 0.00 C ATOM 449 O GLY A 44 1.448 12.018 -3.670 1.00 0.00 O ATOM 0 H GLY A 44 1.459 16.243 -3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.601 14.724 -4.719 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.996 13.939 -3.204 1.00 0.00 H new ATOM 453 N LYS A 45 0.349 13.357 -5.105 1.00 0.00 N ATOM 454 CA LYS A 45 -0.567 12.318 -5.552 1.00 0.00 C ATOM 455 C LYS A 45 0.151 11.257 -6.385 1.00 0.00 C ATOM 456 O LYS A 45 -0.033 10.062 -6.166 1.00 0.00 O ATOM 457 CB LYS A 45 -1.706 12.937 -6.362 1.00 0.00 C ATOM 458 CG LYS A 45 -2.931 13.277 -5.530 1.00 0.00 C ATOM 459 CD LYS A 45 -2.580 14.168 -4.349 1.00 0.00 C ATOM 460 CE LYS A 45 -3.649 14.110 -3.270 1.00 0.00 C ATOM 461 NZ LYS A 45 -4.514 15.322 -3.279 1.00 0.00 N ATOM 0 H LYS A 45 0.204 14.264 -5.548 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.975 11.829 -4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.344 13.843 -6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.995 12.245 -7.153 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.669 13.778 -6.157 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.391 12.358 -5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.622 13.859 -3.931 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.462 15.196 -4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.265 13.223 -3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.174 14.010 -2.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.175 15.283 -2.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.921 16.172 -3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.052 15.358 -4.169 1.00 0.00 H new ATOM 475 N PRO A 46 0.973 11.674 -7.366 1.00 0.00 N ATOM 476 CA PRO A 46 1.702 10.740 -8.236 1.00 0.00 C ATOM 477 C PRO A 46 2.654 9.826 -7.468 1.00 0.00 C ATOM 478 O PRO A 46 2.654 8.612 -7.667 1.00 0.00 O ATOM 479 CB PRO A 46 2.495 11.659 -9.174 1.00 0.00 C ATOM 480 CG PRO A 46 1.803 12.976 -9.108 1.00 0.00 C ATOM 481 CD PRO A 46 1.246 13.078 -7.719 1.00 0.00 C ATOM 0 HA PRO A 46 1.018 10.065 -8.749 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.534 11.744 -8.856 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.504 11.269 -10.192 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.496 13.792 -9.312 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.009 13.038 -9.853 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.958 13.536 -7.032 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.341 13.684 -7.691 1.00 0.00 H new ATOM 489 N GLU A 47 3.473 10.417 -6.603 1.00 0.00 N ATOM 490 CA GLU A 47 4.445 9.652 -5.820 1.00 0.00 C ATOM 491 C GLU A 47 3.766 8.582 -4.970 1.00 0.00 C ATOM 492 O GLU A 47 4.168 7.417 -4.981 1.00 0.00 O ATOM 493 CB GLU A 47 5.273 10.581 -4.927 1.00 0.00 C ATOM 494 CG GLU A 47 4.474 11.711 -4.296 1.00 0.00 C ATOM 495 CD GLU A 47 4.917 13.079 -4.775 1.00 0.00 C ATOM 496 OE1 GLU A 47 5.081 13.254 -6.001 1.00 0.00 O ATOM 497 OE2 GLU A 47 5.101 13.976 -3.925 1.00 0.00 O ATOM 0 H GLU A 47 3.485 11.421 -6.425 1.00 0.00 H new ATOM 0 HA GLU A 47 5.108 9.153 -6.526 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.734 9.990 -4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.083 11.009 -5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.417 11.575 -4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.574 11.660 -3.212 1.00 0.00 H new ATOM 504 N VAL A 48 2.742 8.978 -4.228 1.00 0.00 N ATOM 505 CA VAL A 48 2.018 8.049 -3.369 1.00 0.00 C ATOM 506 C VAL A 48 1.151 7.101 -4.185 1.00 0.00 C ATOM 507 O VAL A 48 1.155 5.898 -3.953 1.00 0.00 O ATOM 508 CB VAL A 48 1.142 8.797 -2.342 1.00 0.00 C ATOM 509 CG1 VAL A 48 0.052 9.597 -3.037 1.00 0.00 C ATOM 510 CG2 VAL A 48 0.543 7.820 -1.340 1.00 0.00 C ATOM 0 H VAL A 48 2.393 9.936 -4.203 1.00 0.00 H new ATOM 0 HA VAL A 48 2.766 7.466 -2.832 1.00 0.00 H new ATOM 0 HB VAL A 48 1.776 9.498 -1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.551 10.115 -2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.507 10.327 -3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.583 8.923 -3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.072 8.365 -0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.073 7.091 -1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.344 7.304 -0.812 1.00 0.00 H new ATOM 520 N ASN A 49 0.411 7.639 -5.139 1.00 0.00 N ATOM 521 CA ASN A 49 -0.455 6.815 -5.971 1.00 0.00 C ATOM 522 C ASN A 49 0.341 5.752 -6.729 1.00 0.00 C ATOM 523 O ASN A 49 -0.116 4.621 -6.881 1.00 0.00 O ATOM 524 CB ASN A 49 -1.233 7.685 -6.959 1.00 0.00 C ATOM 525 CG ASN A 49 -2.296 8.526 -6.277 1.00 0.00 C ATOM 526 OD1 ASN A 49 -2.716 8.229 -5.159 1.00 0.00 O ATOM 527 ND2 ASN A 49 -2.736 9.583 -6.950 1.00 0.00 N ATOM 0 H ASN A 49 0.390 8.635 -5.357 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.157 6.306 -5.310 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.539 8.339 -7.487 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.703 7.048 -7.708 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.450 10.186 -6.542 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.359 9.792 -7.875 1.00 0.00 H new ATOM 534 N ARG A 50 1.528 6.121 -7.209 1.00 0.00 N ATOM 535 CA ARG A 50 2.369 5.189 -7.961 1.00 0.00 C ATOM 536 C ARG A 50 2.969 4.111 -7.060 1.00 0.00 C ATOM 537 O ARG A 50 3.001 2.933 -7.426 1.00 0.00 O ATOM 538 CB ARG A 50 3.481 5.946 -8.700 1.00 0.00 C ATOM 539 CG ARG A 50 4.613 6.420 -7.803 1.00 0.00 C ATOM 540 CD ARG A 50 5.754 7.010 -8.613 1.00 0.00 C ATOM 541 NE ARG A 50 6.933 7.274 -7.790 1.00 0.00 N ATOM 542 CZ ARG A 50 7.921 8.088 -8.151 1.00 0.00 C ATOM 543 NH1 ARG A 50 7.877 8.720 -9.318 1.00 0.00 N ATOM 544 NH2 ARG A 50 8.957 8.270 -7.345 1.00 0.00 N ATOM 0 H ARG A 50 1.928 7.052 -7.092 1.00 0.00 H new ATOM 0 HA ARG A 50 1.732 4.691 -8.692 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.893 5.299 -9.475 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.045 6.809 -9.203 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.237 7.167 -7.104 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.982 5.584 -7.208 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.020 6.324 -9.417 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.424 7.937 -9.081 1.00 0.00 H new ATOM 0 HE ARG A 50 7.002 6.807 -6.886 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.083 8.582 -9.943 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.638 9.343 -9.590 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.997 7.786 -6.448 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.715 8.894 -7.622 1.00 0.00 H new ATOM 558 N GLN A 51 3.425 4.507 -5.877 1.00 0.00 N ATOM 559 CA GLN A 51 4.001 3.555 -4.934 1.00 0.00 C ATOM 560 C GLN A 51 2.891 2.695 -4.364 1.00 0.00 C ATOM 561 O GLN A 51 2.986 1.468 -4.317 1.00 0.00 O ATOM 562 CB GLN A 51 4.736 4.287 -3.809 1.00 0.00 C ATOM 563 CG GLN A 51 6.085 4.850 -4.228 1.00 0.00 C ATOM 564 CD GLN A 51 6.861 5.430 -3.063 1.00 0.00 C ATOM 565 OE1 GLN A 51 8.021 5.082 -2.840 1.00 0.00 O ATOM 566 NE2 GLN A 51 6.225 6.321 -2.312 1.00 0.00 N ATOM 0 H GLN A 51 3.408 5.473 -5.550 1.00 0.00 H new ATOM 0 HA GLN A 51 4.724 2.926 -5.453 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.109 5.101 -3.446 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.881 3.601 -2.975 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.674 4.061 -4.696 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.934 5.624 -4.980 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.264 6.581 -2.533 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.698 6.746 -1.514 1.00 0.00 H new ATOM 575 N ILE A 52 1.825 3.366 -3.961 1.00 0.00 N ATOM 576 CA ILE A 52 0.656 2.712 -3.418 1.00 0.00 C ATOM 577 C ILE A 52 0.103 1.705 -4.426 1.00 0.00 C ATOM 578 O ILE A 52 -0.470 0.683 -4.048 1.00 0.00 O ATOM 579 CB ILE A 52 -0.420 3.764 -3.064 1.00 0.00 C ATOM 580 CG1 ILE A 52 0.031 4.576 -1.840 1.00 0.00 C ATOM 581 CG2 ILE A 52 -1.765 3.105 -2.824 1.00 0.00 C ATOM 582 CD1 ILE A 52 -1.084 4.935 -0.879 1.00 0.00 C ATOM 0 H ILE A 52 1.750 4.382 -4.003 1.00 0.00 H new ATOM 0 HA ILE A 52 0.937 2.178 -2.510 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.539 4.445 -3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.789 4.007 -1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.507 5.494 -2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.504 3.867 -2.577 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.077 2.576 -3.724 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.682 2.399 -1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.676 5.507 -0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.833 5.534 -1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.546 4.023 -0.501 1.00 0.00 H new ATOM 594 N LYS A 53 0.299 1.996 -5.711 1.00 0.00 N ATOM 595 CA LYS A 53 -0.160 1.109 -6.773 1.00 0.00 C ATOM 596 C LYS A 53 0.654 -0.177 -6.777 1.00 0.00 C ATOM 597 O LYS A 53 0.099 -1.275 -6.768 1.00 0.00 O ATOM 598 CB LYS A 53 -0.053 1.795 -8.137 1.00 0.00 C ATOM 599 CG LYS A 53 -1.265 1.571 -9.026 1.00 0.00 C ATOM 600 CD LYS A 53 -0.998 0.502 -10.074 1.00 0.00 C ATOM 601 CE LYS A 53 -2.025 0.551 -11.193 1.00 0.00 C ATOM 602 NZ LYS A 53 -1.673 1.561 -12.229 1.00 0.00 N ATOM 0 H LYS A 53 0.772 2.838 -6.039 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.206 0.868 -6.585 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.084 2.866 -7.986 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.836 1.429 -8.650 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.117 1.277 -8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.534 2.506 -9.518 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.001 0.639 -10.489 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.016 -0.482 -9.605 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.103 -0.432 -11.657 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.005 0.785 -10.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.399 1.562 -12.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.624 2.504 -11.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.750 1.324 -12.646 1.00 0.00 H new ATOM 616 N ASN A 54 1.977 -0.033 -6.784 1.00 0.00 N ATOM 617 CA ASN A 54 2.869 -1.190 -6.786 1.00 0.00 C ATOM 618 C ASN A 54 2.499 -2.154 -5.666 1.00 0.00 C ATOM 619 O ASN A 54 2.491 -3.370 -5.860 1.00 0.00 O ATOM 620 CB ASN A 54 4.326 -0.745 -6.628 1.00 0.00 C ATOM 621 CG ASN A 54 4.674 0.436 -7.513 1.00 0.00 C ATOM 622 OD1 ASN A 54 4.214 0.534 -8.650 1.00 0.00 O ATOM 623 ND2 ASN A 54 5.492 1.342 -6.990 1.00 0.00 N ATOM 0 H ASN A 54 2.454 0.869 -6.788 1.00 0.00 H new ATOM 0 HA ASN A 54 2.758 -1.702 -7.742 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.510 -0.481 -5.587 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.985 -1.580 -6.867 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.763 2.160 -7.536 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.849 1.220 -6.043 1.00 0.00 H new ATOM 630 N LEU A 55 2.183 -1.605 -4.497 1.00 0.00 N ATOM 631 CA LEU A 55 1.802 -2.426 -3.357 1.00 0.00 C ATOM 632 C LEU A 55 0.467 -3.107 -3.622 1.00 0.00 C ATOM 633 O LEU A 55 0.306 -4.299 -3.364 1.00 0.00 O ATOM 634 CB LEU A 55 1.727 -1.583 -2.084 1.00 0.00 C ATOM 635 CG LEU A 55 2.928 -0.666 -1.848 1.00 0.00 C ATOM 636 CD1 LEU A 55 2.702 0.207 -0.623 1.00 0.00 C ATOM 637 CD2 LEU A 55 4.201 -1.484 -1.694 1.00 0.00 C ATOM 0 H LEU A 55 2.184 -0.601 -4.317 1.00 0.00 H new ATOM 0 HA LEU A 55 2.564 -3.192 -3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.824 -0.973 -2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.625 -2.251 -1.229 1.00 0.00 H new ATOM 0 HG LEU A 55 3.040 -0.016 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.567 0.852 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.813 0.820 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.563 -0.425 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.045 -0.815 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.099 -2.159 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.372 -2.065 -2.600 1.00 0.00 H new ATOM 649 N GLU A 56 -0.482 -2.351 -4.165 1.00 0.00 N ATOM 650 CA GLU A 56 -1.790 -2.903 -4.493 1.00 0.00 C ATOM 651 C GLU A 56 -1.606 -4.085 -5.433 1.00 0.00 C ATOM 652 O GLU A 56 -2.296 -5.099 -5.332 1.00 0.00 O ATOM 653 CB GLU A 56 -2.677 -1.837 -5.140 1.00 0.00 C ATOM 654 CG GLU A 56 -4.058 -1.733 -4.512 1.00 0.00 C ATOM 655 CD GLU A 56 -5.175 -1.858 -5.530 1.00 0.00 C ATOM 656 OE1 GLU A 56 -5.362 -0.914 -6.326 1.00 0.00 O ATOM 657 OE2 GLU A 56 -5.863 -2.899 -5.530 1.00 0.00 O ATOM 0 H GLU A 56 -0.371 -1.361 -4.386 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.282 -3.237 -3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.180 -0.870 -5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.785 -2.061 -6.201 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.170 -2.513 -3.759 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.147 -0.777 -3.997 1.00 0.00 H new ATOM 664 N ILE A 57 -0.638 -3.943 -6.333 1.00 0.00 N ATOM 665 CA ILE A 57 -0.307 -4.985 -7.286 1.00 0.00 C ATOM 666 C ILE A 57 0.374 -6.146 -6.577 1.00 0.00 C ATOM 667 O ILE A 57 0.101 -7.313 -6.864 1.00 0.00 O ATOM 668 CB ILE A 57 0.627 -4.444 -8.381 1.00 0.00 C ATOM 669 CG1 ILE A 57 0.030 -3.187 -9.006 1.00 0.00 C ATOM 670 CG2 ILE A 57 0.884 -5.502 -9.443 1.00 0.00 C ATOM 671 CD1 ILE A 57 1.068 -2.200 -9.482 1.00 0.00 C ATOM 0 H ILE A 57 -0.065 -3.103 -6.418 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.233 -5.329 -7.746 1.00 0.00 H new ATOM 0 HB ILE A 57 1.583 -4.187 -7.925 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.600 -3.474 -9.848 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.616 -2.699 -8.276 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.547 -5.097 -10.207 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.350 -6.373 -8.983 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.061 -5.795 -9.901 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.572 -1.331 -9.915 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.683 -1.884 -8.639 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.699 -2.671 -10.236 1.00 0.00 H new ATOM 683 N SER A 58 1.259 -5.815 -5.639 1.00 0.00 N ATOM 684 CA SER A 58 1.977 -6.829 -4.875 1.00 0.00 C ATOM 685 C SER A 58 0.996 -7.745 -4.150 1.00 0.00 C ATOM 686 O SER A 58 1.054 -8.967 -4.283 1.00 0.00 O ATOM 687 CB SER A 58 2.919 -6.168 -3.866 1.00 0.00 C ATOM 688 OG SER A 58 3.650 -7.137 -3.138 1.00 0.00 O ATOM 0 H SER A 58 1.495 -4.854 -5.391 1.00 0.00 H new ATOM 0 HA SER A 58 2.568 -7.427 -5.569 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.609 -5.505 -4.388 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.343 -5.550 -3.177 1.00 0.00 H new ATOM 0 HG SER A 58 4.245 -6.688 -2.502 1.00 0.00 H new ATOM 694 N ILE A 59 0.086 -7.141 -3.390 1.00 0.00 N ATOM 695 CA ILE A 59 -0.918 -7.895 -2.650 1.00 0.00 C ATOM 696 C ILE A 59 -1.789 -8.708 -3.604 1.00 0.00 C ATOM 697 O ILE A 59 -1.941 -9.921 -3.445 1.00 0.00 O ATOM 698 CB ILE A 59 -1.817 -6.959 -1.817 1.00 0.00 C ATOM 699 CG1 ILE A 59 -0.961 -6.043 -0.939 1.00 0.00 C ATOM 700 CG2 ILE A 59 -2.786 -7.765 -0.965 1.00 0.00 C ATOM 701 CD1 ILE A 59 -1.432 -4.605 -0.926 1.00 0.00 C ATOM 0 H ILE A 59 0.025 -6.130 -3.271 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.389 -8.568 -1.976 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.398 -6.340 -2.500 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.962 -6.426 0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.070 -6.076 -1.291 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.411 -7.087 -0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.416 -8.377 -1.611 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.226 -8.410 -0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.779 -4.014 -0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.404 -4.204 -1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.453 -4.560 -0.546 1.00 0.00 H new ATOM 713 N ASP A 60 -2.351 -8.030 -4.600 1.00 0.00 N ATOM 714 CA ASP A 60 -3.198 -8.688 -5.587 1.00 0.00 C ATOM 715 C ASP A 60 -2.433 -9.806 -6.285 1.00 0.00 C ATOM 716 O ASP A 60 -3.005 -10.836 -6.641 1.00 0.00 O ATOM 717 CB ASP A 60 -3.702 -7.674 -6.616 1.00 0.00 C ATOM 718 CG ASP A 60 -5.133 -7.947 -7.040 1.00 0.00 C ATOM 719 OD1 ASP A 60 -5.337 -8.813 -7.918 1.00 0.00 O ATOM 720 OD2 ASP A 60 -6.047 -7.292 -6.499 1.00 0.00 O ATOM 0 H ASP A 60 -2.235 -7.027 -4.744 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.055 -9.121 -5.071 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.635 -6.670 -6.197 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.055 -7.697 -7.493 1.00 0.00 H new ATOM 725 N ALA A 61 -1.131 -9.598 -6.465 1.00 0.00 N ATOM 726 CA ALA A 61 -0.283 -10.594 -7.108 1.00 0.00 C ATOM 727 C ALA A 61 -0.310 -11.897 -6.321 1.00 0.00 C ATOM 728 O ALA A 61 -0.524 -12.973 -6.883 1.00 0.00 O ATOM 729 CB ALA A 61 1.141 -10.076 -7.234 1.00 0.00 C ATOM 0 H ALA A 61 -0.643 -8.751 -6.175 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.669 -10.786 -8.109 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.762 -10.831 -7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.145 -9.166 -7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.538 -9.859 -6.242 1.00 0.00 H new ATOM 735 N LEU A 62 -0.102 -11.794 -5.012 1.00 0.00 N ATOM 736 CA LEU A 62 -0.114 -12.960 -4.146 1.00 0.00 C ATOM 737 C LEU A 62 -1.421 -13.724 -4.291 1.00 0.00 C ATOM 738 O LEU A 62 -1.415 -14.914 -4.588 1.00 0.00 O ATOM 739 CB LEU A 62 0.083 -12.543 -2.688 1.00 0.00 C ATOM 740 CG LEU A 62 1.513 -12.143 -2.327 1.00 0.00 C ATOM 741 CD1 LEU A 62 1.615 -10.638 -2.115 1.00 0.00 C ATOM 742 CD2 LEU A 62 1.991 -12.896 -1.090 1.00 0.00 C ATOM 0 H LEU A 62 0.077 -10.913 -4.531 1.00 0.00 H new ATOM 0 HA LEU A 62 0.707 -13.612 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.580 -11.706 -2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.223 -13.367 -2.044 1.00 0.00 H new ATOM 0 HG LEU A 62 2.161 -12.414 -3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.641 -10.375 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.326 -10.121 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.951 -10.339 -1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.011 -12.595 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.339 -12.664 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.965 -13.968 -1.284 1.00 0.00 H new ATOM 754 N MET A 63 -2.540 -13.025 -4.089 1.00 0.00 N ATOM 755 CA MET A 63 -3.864 -13.641 -4.196 1.00 0.00 C ATOM 756 C MET A 63 -3.963 -14.521 -5.437 1.00 0.00 C ATOM 757 O MET A 63 -4.223 -15.721 -5.338 1.00 0.00 O ATOM 758 CB MET A 63 -4.948 -12.563 -4.241 1.00 0.00 C ATOM 759 CG MET A 63 -6.200 -12.924 -3.457 1.00 0.00 C ATOM 760 SD MET A 63 -6.602 -11.710 -2.186 1.00 0.00 S ATOM 761 CE MET A 63 -5.076 -11.689 -1.249 1.00 0.00 C ATOM 0 H MET A 63 -2.556 -12.033 -3.851 1.00 0.00 H new ATOM 0 HA MET A 63 -4.013 -14.267 -3.316 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.539 -11.632 -3.848 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.221 -12.378 -5.280 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.040 -13.015 -4.145 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.063 -13.900 -2.991 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.227 -11.139 -0.320 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.775 -12.711 -1.020 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.296 -11.204 -1.835 1.00 0.00 H new ATOM 771 N ALA A 64 -3.742 -13.926 -6.601 1.00 0.00 N ATOM 772 CA ALA A 64 -3.796 -14.670 -7.850 1.00 0.00 C ATOM 773 C ALA A 64 -2.774 -15.803 -7.847 1.00 0.00 C ATOM 774 O ALA A 64 -2.932 -16.796 -8.556 1.00 0.00 O ATOM 775 CB ALA A 64 -3.555 -13.740 -9.031 1.00 0.00 C ATOM 0 H ALA A 64 -3.525 -12.935 -6.706 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.790 -15.106 -7.947 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.598 -14.311 -9.958 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.321 -12.965 -9.046 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.573 -13.277 -8.935 1.00 0.00 H new ATOM 781 N LYS A 65 -1.732 -15.652 -7.033 1.00 0.00 N ATOM 782 CA LYS A 65 -0.690 -16.663 -6.926 1.00 0.00 C ATOM 783 C LYS A 65 -1.117 -17.772 -5.973 1.00 0.00 C ATOM 784 O LYS A 65 -0.708 -18.923 -6.115 1.00 0.00 O ATOM 785 CB LYS A 65 0.619 -16.034 -6.442 1.00 0.00 C ATOM 786 CG LYS A 65 1.538 -15.595 -7.571 1.00 0.00 C ATOM 787 CD LYS A 65 2.965 -15.401 -7.084 1.00 0.00 C ATOM 788 CE LYS A 65 3.228 -13.960 -6.677 1.00 0.00 C ATOM 789 NZ LYS A 65 3.530 -13.839 -5.223 1.00 0.00 N ATOM 0 H LYS A 65 -1.589 -14.836 -6.438 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.529 -17.093 -7.915 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.388 -15.172 -5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.147 -16.752 -5.814 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.522 -16.341 -8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.169 -14.664 -8.001 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.153 -16.059 -6.236 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.661 -15.690 -7.872 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.064 -13.566 -7.255 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.358 -13.350 -6.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.636 -12.835 -4.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.752 -14.253 -4.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.413 -14.345 -5.009 1.00 0.00 H new ATOM 803 N ILE A 66 -1.939 -17.410 -4.996 1.00 0.00 N ATOM 804 CA ILE A 66 -2.417 -18.366 -4.008 1.00 0.00 C ATOM 805 C ILE A 66 -3.420 -19.334 -4.618 1.00 0.00 C ATOM 806 O ILE A 66 -3.470 -20.508 -4.251 1.00 0.00 O ATOM 807 CB ILE A 66 -3.077 -17.676 -2.795 1.00 0.00 C ATOM 808 CG1 ILE A 66 -2.482 -16.293 -2.553 1.00 0.00 C ATOM 809 CG2 ILE A 66 -2.921 -18.538 -1.558 1.00 0.00 C ATOM 810 CD1 ILE A 66 -0.984 -16.295 -2.325 1.00 0.00 C ATOM 0 H ILE A 66 -2.288 -16.460 -4.867 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.536 -18.909 -3.666 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.138 -17.551 -3.013 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.707 -15.657 -3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.970 -15.846 -1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.390 -18.043 -0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.399 -19.503 -1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.862 -18.689 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.640 -15.274 -2.161 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.750 -16.902 -1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.483 -16.711 -3.200 1.00 0.00 H new ATOM 822 N LYS A 67 -4.230 -18.827 -5.539 1.00 0.00 N ATOM 823 CA LYS A 67 -5.251 -19.639 -6.189 1.00 0.00 C ATOM 824 C LYS A 67 -4.781 -20.198 -7.533 1.00 0.00 C ATOM 825 O LYS A 67 -5.541 -20.880 -8.220 1.00 0.00 O ATOM 826 CB LYS A 67 -6.525 -18.816 -6.391 1.00 0.00 C ATOM 827 CG LYS A 67 -7.110 -18.273 -5.100 1.00 0.00 C ATOM 828 CD LYS A 67 -8.023 -19.289 -4.430 1.00 0.00 C ATOM 829 CE LYS A 67 -9.371 -19.376 -5.129 1.00 0.00 C ATOM 830 NZ LYS A 67 -10.503 -19.255 -4.169 1.00 0.00 N ATOM 0 H LYS A 67 -4.200 -17.857 -5.853 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.454 -20.486 -5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.307 -17.983 -7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.273 -19.435 -6.886 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.303 -18.003 -4.419 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.670 -17.361 -5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.545 -20.269 -4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.171 -19.013 -3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.444 -18.587 -5.877 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.444 -20.326 -5.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.404 -19.319 -4.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.449 -20.023 -3.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.448 -18.338 -3.681 1.00 0.00 H new ATOM 844 N SER A 68 -3.537 -19.912 -7.917 1.00 0.00 N ATOM 845 CA SER A 68 -3.020 -20.404 -9.191 1.00 0.00 C ATOM 846 C SER A 68 -1.556 -20.820 -9.097 1.00 0.00 C ATOM 847 O SER A 68 -0.849 -20.861 -10.104 1.00 0.00 O ATOM 848 CB SER A 68 -3.191 -19.343 -10.278 1.00 0.00 C ATOM 849 OG SER A 68 -4.537 -18.903 -10.356 1.00 0.00 O ATOM 0 H SER A 68 -2.880 -19.352 -7.374 1.00 0.00 H new ATOM 0 HA SER A 68 -3.598 -21.291 -9.452 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.540 -18.495 -10.068 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.882 -19.751 -11.240 1.00 0.00 H new ATOM 0 HG SER A 68 -4.619 -18.224 -11.058 1.00 0.00 H new ATOM 855 N THR A 69 -1.107 -21.143 -7.891 1.00 0.00 N ATOM 856 CA THR A 69 0.276 -21.574 -7.678 1.00 0.00 C ATOM 857 C THR A 69 0.410 -22.329 -6.359 1.00 0.00 C ATOM 858 O THR A 69 -0.537 -22.409 -5.577 1.00 0.00 O ATOM 859 CB THR A 69 1.252 -20.384 -7.693 1.00 0.00 C ATOM 860 OG1 THR A 69 1.474 -19.893 -6.384 1.00 0.00 O ATOM 861 CG2 THR A 69 0.795 -19.218 -8.545 1.00 0.00 C ATOM 0 H THR A 69 -1.676 -21.116 -7.045 1.00 0.00 H new ATOM 0 HA THR A 69 0.535 -22.239 -8.502 1.00 0.00 H new ATOM 0 HB THR A 69 2.166 -20.787 -8.129 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.868 -19.143 -6.209 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.538 -18.422 -8.501 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.675 -19.547 -9.577 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.158 -18.845 -8.170 1.00 0.00 H new ATOM 869 N MET A 70 1.596 -22.875 -6.118 1.00 0.00 N ATOM 870 CA MET A 70 1.863 -23.618 -4.892 1.00 0.00 C ATOM 871 C MET A 70 2.782 -22.823 -3.971 1.00 0.00 C ATOM 872 O MET A 70 3.661 -23.385 -3.316 1.00 0.00 O ATOM 873 CB MET A 70 2.494 -24.973 -5.219 1.00 0.00 C ATOM 874 CG MET A 70 2.041 -26.095 -4.297 1.00 0.00 C ATOM 875 SD MET A 70 0.928 -27.257 -5.110 1.00 0.00 S ATOM 876 CE MET A 70 0.428 -28.276 -3.723 1.00 0.00 C ATOM 0 H MET A 70 2.389 -22.817 -6.756 1.00 0.00 H new ATOM 0 HA MET A 70 0.916 -23.784 -4.379 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.250 -25.239 -6.248 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.579 -24.882 -5.161 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.915 -26.632 -3.929 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.541 -25.666 -3.428 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.650 -28.433 -3.757 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.937 -29.238 -3.776 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.692 -27.777 -2.791 1.00 0.00 H new ATOM 886 N MET A 71 2.576 -21.511 -3.929 1.00 0.00 N ATOM 887 CA MET A 71 3.386 -20.632 -3.092 1.00 0.00 C ATOM 888 C MET A 71 3.359 -21.084 -1.636 1.00 0.00 C ATOM 889 O MET A 71 2.323 -21.515 -1.128 1.00 0.00 O ATOM 890 CB MET A 71 2.887 -19.189 -3.201 1.00 0.00 C ATOM 891 CG MET A 71 3.658 -18.355 -4.211 1.00 0.00 C ATOM 892 SD MET A 71 5.174 -17.662 -3.526 1.00 0.00 S ATOM 893 CE MET A 71 4.525 -16.271 -2.602 1.00 0.00 C ATOM 0 H MET A 71 1.853 -21.032 -4.466 1.00 0.00 H new ATOM 0 HA MET A 71 4.415 -20.682 -3.447 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.833 -19.198 -3.478 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.955 -18.714 -2.222 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.903 -18.973 -5.075 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.022 -17.545 -4.569 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.330 -15.568 -2.390 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.753 -15.773 -3.189 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.096 -16.625 -1.665 1.00 0.00 H new ATOM 903 N THR A 72 4.504 -20.982 -0.971 1.00 0.00 N ATOM 904 CA THR A 72 4.614 -21.379 0.426 1.00 0.00 C ATOM 905 C THR A 72 4.182 -20.243 1.346 1.00 0.00 C ATOM 906 O THR A 72 4.406 -19.071 1.046 1.00 0.00 O ATOM 907 CB THR A 72 6.053 -21.790 0.746 1.00 0.00 C ATOM 908 OG1 THR A 72 6.626 -22.496 -0.339 1.00 0.00 O ATOM 909 CG2 THR A 72 6.164 -22.666 1.974 1.00 0.00 C ATOM 0 H THR A 72 5.369 -20.627 -1.378 1.00 0.00 H new ATOM 0 HA THR A 72 3.954 -22.230 0.592 1.00 0.00 H new ATOM 0 HB THR A 72 6.585 -20.858 0.935 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.546 -22.748 -0.116 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.210 -22.922 2.145 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.775 -22.130 2.840 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.587 -23.579 1.823 1.00 0.00 H new ATOM 917 N ARG A 73 3.561 -20.597 2.466 1.00 0.00 N ATOM 918 CA ARG A 73 3.099 -19.604 3.429 1.00 0.00 C ATOM 919 C ARG A 73 4.248 -18.701 3.868 1.00 0.00 C ATOM 920 O ARG A 73 4.045 -17.525 4.170 1.00 0.00 O ATOM 921 CB ARG A 73 2.478 -20.292 4.647 1.00 0.00 C ATOM 922 CG ARG A 73 3.406 -21.290 5.322 1.00 0.00 C ATOM 923 CD ARG A 73 3.338 -21.182 6.836 1.00 0.00 C ATOM 924 NE ARG A 73 3.573 -22.468 7.488 1.00 0.00 N ATOM 925 CZ ARG A 73 2.733 -23.498 7.420 1.00 0.00 C ATOM 926 NH1 ARG A 73 1.603 -23.398 6.729 1.00 0.00 N ATOM 927 NH2 ARG A 73 3.024 -24.633 8.042 1.00 0.00 N ATOM 0 H ARG A 73 3.366 -21.563 2.729 1.00 0.00 H new ATOM 0 HA ARG A 73 2.340 -18.989 2.946 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.185 -19.533 5.372 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.568 -20.806 4.338 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.138 -22.301 5.016 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.430 -21.118 4.990 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.078 -20.460 7.181 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.360 -20.801 7.129 1.00 0.00 H new ATOM 0 HE ARG A 73 4.431 -22.583 8.027 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.375 -22.528 6.247 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.963 -24.191 6.680 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.891 -24.716 8.572 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.380 -25.423 7.990 1.00 0.00 H new ATOM 941 N GLU A 74 5.454 -19.259 3.895 1.00 0.00 N ATOM 942 CA GLU A 74 6.635 -18.500 4.290 1.00 0.00 C ATOM 943 C GLU A 74 6.855 -17.328 3.341 1.00 0.00 C ATOM 944 O GLU A 74 7.247 -16.239 3.760 1.00 0.00 O ATOM 945 CB GLU A 74 7.869 -19.405 4.304 1.00 0.00 C ATOM 946 CG GLU A 74 8.752 -19.208 5.528 1.00 0.00 C ATOM 947 CD GLU A 74 9.012 -20.503 6.273 1.00 0.00 C ATOM 948 OE1 GLU A 74 9.993 -21.197 5.933 1.00 0.00 O ATOM 949 OE2 GLU A 74 8.237 -20.822 7.199 1.00 0.00 O ATOM 0 H GLU A 74 5.639 -20.231 3.649 1.00 0.00 H new ATOM 0 HA GLU A 74 6.475 -18.110 5.295 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.547 -20.446 4.262 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.458 -19.217 3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.703 -18.773 5.220 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.279 -18.494 6.202 1.00 0.00 H new ATOM 956 N GLN A 75 6.592 -17.559 2.058 1.00 0.00 N ATOM 957 CA GLN A 75 6.751 -16.524 1.046 1.00 0.00 C ATOM 958 C GLN A 75 5.706 -15.430 1.232 1.00 0.00 C ATOM 959 O GLN A 75 5.961 -14.258 0.958 1.00 0.00 O ATOM 960 CB GLN A 75 6.633 -17.128 -0.354 1.00 0.00 C ATOM 961 CG GLN A 75 7.507 -18.354 -0.563 1.00 0.00 C ATOM 962 CD GLN A 75 8.556 -18.149 -1.638 1.00 0.00 C ATOM 963 OE1 GLN A 75 8.354 -17.383 -2.581 1.00 0.00 O ATOM 964 NE2 GLN A 75 9.685 -18.834 -1.501 1.00 0.00 N ATOM 0 H GLN A 75 6.267 -18.456 1.696 1.00 0.00 H new ATOM 0 HA GLN A 75 7.742 -16.083 1.158 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.593 -17.398 -0.538 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.901 -16.371 -1.091 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.000 -18.608 0.376 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.878 -19.202 -0.833 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.810 -19.458 -0.704 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.428 -18.737 -2.193 1.00 0.00 H new ATOM 973 N ILE A 76 4.529 -15.825 1.708 1.00 0.00 N ATOM 974 CA ILE A 76 3.442 -14.883 1.940 1.00 0.00 C ATOM 975 C ILE A 76 3.734 -14.011 3.158 1.00 0.00 C ATOM 976 O ILE A 76 3.373 -12.835 3.192 1.00 0.00 O ATOM 977 CB ILE A 76 2.102 -15.611 2.154 1.00 0.00 C ATOM 978 CG1 ILE A 76 1.866 -16.632 1.039 1.00 0.00 C ATOM 979 CG2 ILE A 76 0.959 -14.609 2.214 1.00 0.00 C ATOM 980 CD1 ILE A 76 1.688 -16.007 -0.328 1.00 0.00 C ATOM 0 H ILE A 76 4.305 -16.792 1.940 1.00 0.00 H new ATOM 0 HA ILE A 76 3.365 -14.257 1.051 1.00 0.00 H new ATOM 0 HB ILE A 76 2.143 -16.144 3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.708 -17.323 1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.980 -17.220 1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.018 -15.139 2.366 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.124 -13.918 3.041 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.915 -14.051 1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.525 -16.791 -1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.828 -15.338 -0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.583 -15.442 -0.589 1.00 0.00 H new ATOM 992 N GLN A 77 4.395 -14.598 4.151 1.00 0.00 N ATOM 993 CA GLN A 77 4.740 -13.875 5.369 1.00 0.00 C ATOM 994 C GLN A 77 5.762 -12.783 5.075 1.00 0.00 C ATOM 995 O GLN A 77 5.576 -11.626 5.453 1.00 0.00 O ATOM 996 CB GLN A 77 5.293 -14.841 6.420 1.00 0.00 C ATOM 997 CG GLN A 77 4.779 -14.568 7.825 1.00 0.00 C ATOM 998 CD GLN A 77 3.393 -15.133 8.059 1.00 0.00 C ATOM 999 OE1 GLN A 77 3.240 -16.244 8.570 1.00 0.00 O ATOM 1000 NE2 GLN A 77 2.370 -14.370 7.687 1.00 0.00 N ATOM 0 H GLN A 77 4.702 -15.571 4.136 1.00 0.00 H new ATOM 0 HA GLN A 77 3.835 -13.408 5.758 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.032 -15.861 6.138 1.00 0.00 H new ATOM 0 HB3 GLN A 77 6.381 -14.780 6.421 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.470 -14.998 8.550 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.763 -13.492 7.999 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.541 -13.456 7.268 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.414 -14.698 7.821 1.00 0.00 H new ATOM 1009 N LYS A 78 6.842 -13.155 4.393 1.00 0.00 N ATOM 1010 CA LYS A 78 7.886 -12.199 4.047 1.00 0.00 C ATOM 1011 C LYS A 78 7.337 -11.121 3.130 1.00 0.00 C ATOM 1012 O LYS A 78 7.566 -9.932 3.353 1.00 0.00 O ATOM 1013 CB LYS A 78 9.069 -12.911 3.385 1.00 0.00 C ATOM 1014 CG LYS A 78 10.418 -12.516 3.965 1.00 0.00 C ATOM 1015 CD LYS A 78 11.091 -13.687 4.662 1.00 0.00 C ATOM 1016 CE LYS A 78 12.158 -14.321 3.783 1.00 0.00 C ATOM 1017 NZ LYS A 78 13.290 -13.388 3.526 1.00 0.00 N ATOM 0 H LYS A 78 7.015 -14.107 4.071 1.00 0.00 H new ATOM 0 HA LYS A 78 8.237 -11.727 4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.939 -13.988 3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.063 -12.692 2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.063 -12.146 3.168 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.285 -11.698 4.673 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.541 -13.347 5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.342 -14.435 4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.534 -15.225 4.262 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.714 -14.624 2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.149 -13.935 3.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.059 -12.776 2.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.454 -12.801 4.369 1.00 0.00 H new ATOM 1031 N GLU A 79 6.591 -11.531 2.108 1.00 0.00 N ATOM 1032 CA GLU A 79 5.996 -10.572 1.188 1.00 0.00 C ATOM 1033 C GLU A 79 5.143 -9.594 1.974 1.00 0.00 C ATOM 1034 O GLU A 79 5.080 -8.405 1.656 1.00 0.00 O ATOM 1035 CB GLU A 79 5.158 -11.284 0.125 1.00 0.00 C ATOM 1036 CG GLU A 79 5.983 -11.872 -1.008 1.00 0.00 C ATOM 1037 CD GLU A 79 5.439 -11.509 -2.377 1.00 0.00 C ATOM 1038 OE1 GLU A 79 5.419 -10.305 -2.707 1.00 0.00 O ATOM 1039 OE2 GLU A 79 5.034 -12.430 -3.119 1.00 0.00 O ATOM 0 H GLU A 79 6.387 -12.508 1.899 1.00 0.00 H new ATOM 0 HA GLU A 79 6.789 -10.030 0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.587 -12.082 0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.437 -10.579 -0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.011 -11.519 -0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.009 -12.957 -0.908 1.00 0.00 H new ATOM 1046 N TYR A 80 4.521 -10.098 3.037 1.00 0.00 N ATOM 1047 CA TYR A 80 3.716 -9.261 3.904 1.00 0.00 C ATOM 1048 C TYR A 80 4.625 -8.236 4.561 1.00 0.00 C ATOM 1049 O TYR A 80 4.251 -7.078 4.742 1.00 0.00 O ATOM 1050 CB TYR A 80 3.007 -10.103 4.966 1.00 0.00 C ATOM 1051 CG TYR A 80 1.884 -9.375 5.671 1.00 0.00 C ATOM 1052 CD1 TYR A 80 2.139 -8.250 6.444 1.00 0.00 C ATOM 1053 CD2 TYR A 80 0.570 -9.815 5.565 1.00 0.00 C ATOM 1054 CE1 TYR A 80 1.117 -7.582 7.091 1.00 0.00 C ATOM 1055 CE2 TYR A 80 -0.457 -9.151 6.209 1.00 0.00 C ATOM 1056 CZ TYR A 80 -0.179 -8.037 6.971 1.00 0.00 C ATOM 1057 OH TYR A 80 -1.200 -7.376 7.614 1.00 0.00 O ATOM 0 H TYR A 80 4.562 -11.079 3.313 1.00 0.00 H new ATOM 0 HA TYR A 80 2.949 -8.757 3.316 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.607 -11.002 4.497 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.738 -10.428 5.706 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.153 -7.891 6.541 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.348 -10.689 4.970 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.332 -6.708 7.688 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.473 -9.504 6.115 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.050 -7.825 7.425 1.00 0.00 H new ATOM 1067 N ASP A 81 5.840 -8.674 4.893 1.00 0.00 N ATOM 1068 CA ASP A 81 6.824 -7.794 5.502 1.00 0.00 C ATOM 1069 C ASP A 81 7.299 -6.766 4.487 1.00 0.00 C ATOM 1070 O ASP A 81 7.529 -5.606 4.826 1.00 0.00 O ATOM 1071 CB ASP A 81 8.009 -8.598 6.039 1.00 0.00 C ATOM 1072 CG ASP A 81 8.487 -8.095 7.386 1.00 0.00 C ATOM 1073 OD1 ASP A 81 7.771 -8.304 8.387 1.00 0.00 O ATOM 1074 OD2 ASP A 81 9.579 -7.488 7.438 1.00 0.00 O ATOM 0 H ASP A 81 6.161 -9.631 4.749 1.00 0.00 H new ATOM 0 HA ASP A 81 6.357 -7.276 6.339 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.723 -9.646 6.126 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.831 -8.550 5.324 1.00 0.00 H new ATOM 1079 N ALA A 82 7.429 -7.191 3.227 1.00 0.00 N ATOM 1080 CA ALA A 82 7.856 -6.286 2.172 1.00 0.00 C ATOM 1081 C ALA A 82 6.874 -5.130 2.060 1.00 0.00 C ATOM 1082 O ALA A 82 7.262 -3.986 1.819 1.00 0.00 O ATOM 1083 CB ALA A 82 7.967 -7.025 0.846 1.00 0.00 C ATOM 0 H ALA A 82 7.245 -8.147 2.921 1.00 0.00 H new ATOM 0 HA ALA A 82 8.841 -5.891 2.421 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.288 -6.331 0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.697 -7.830 0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.996 -7.444 0.581 1.00 0.00 H new ATOM 1089 N LEU A 83 5.599 -5.440 2.265 1.00 0.00 N ATOM 1090 CA LEU A 83 4.550 -4.434 2.216 1.00 0.00 C ATOM 1091 C LEU A 83 4.567 -3.604 3.493 1.00 0.00 C ATOM 1092 O LEU A 83 4.256 -2.413 3.473 1.00 0.00 O ATOM 1093 CB LEU A 83 3.183 -5.097 2.034 1.00 0.00 C ATOM 1094 CG LEU A 83 2.883 -5.580 0.613 1.00 0.00 C ATOM 1095 CD1 LEU A 83 2.083 -6.873 0.647 1.00 0.00 C ATOM 1096 CD2 LEU A 83 2.136 -4.508 -0.167 1.00 0.00 C ATOM 0 H LEU A 83 5.268 -6.383 2.467 1.00 0.00 H new ATOM 0 HA LEU A 83 4.732 -3.778 1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.115 -5.947 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.410 -4.389 2.332 1.00 0.00 H new ATOM 0 HG LEU A 83 3.829 -5.776 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.879 -7.201 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.655 -7.641 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.141 -6.705 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.931 -4.868 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.196 -4.281 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.746 -3.606 -0.221 1.00 0.00 H new ATOM 1108 N VAL A 84 4.944 -4.238 4.603 1.00 0.00 N ATOM 1109 CA VAL A 84 5.015 -3.551 5.883 1.00 0.00 C ATOM 1110 C VAL A 84 6.140 -2.522 5.873 1.00 0.00 C ATOM 1111 O VAL A 84 6.028 -1.457 6.480 1.00 0.00 O ATOM 1112 CB VAL A 84 5.238 -4.538 7.047 1.00 0.00 C ATOM 1113 CG1 VAL A 84 5.266 -3.802 8.380 1.00 0.00 C ATOM 1114 CG2 VAL A 84 4.162 -5.614 7.047 1.00 0.00 C ATOM 0 H VAL A 84 5.203 -5.224 4.637 1.00 0.00 H new ATOM 0 HA VAL A 84 4.059 -3.049 6.034 1.00 0.00 H new ATOM 0 HB VAL A 84 6.205 -5.021 6.907 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.424 -4.517 9.187 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.077 -3.073 8.376 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.317 -3.288 8.532 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.335 -6.302 7.875 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.183 -5.149 7.160 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.197 -6.163 6.106 1.00 0.00 H new ATOM 1124 N LYS A 85 7.220 -2.843 5.167 1.00 0.00 N ATOM 1125 CA LYS A 85 8.360 -1.943 5.067 1.00 0.00 C ATOM 1126 C LYS A 85 8.019 -0.752 4.179 1.00 0.00 C ATOM 1127 O LYS A 85 8.248 0.401 4.547 1.00 0.00 O ATOM 1128 CB LYS A 85 9.578 -2.683 4.508 1.00 0.00 C ATOM 1129 CG LYS A 85 10.886 -2.296 5.180 1.00 0.00 C ATOM 1130 CD LYS A 85 11.279 -3.297 6.255 1.00 0.00 C ATOM 1131 CE LYS A 85 12.205 -4.369 5.705 1.00 0.00 C ATOM 1132 NZ LYS A 85 11.520 -5.237 4.708 1.00 0.00 N ATOM 0 H LYS A 85 7.328 -3.720 4.657 1.00 0.00 H new ATOM 0 HA LYS A 85 8.600 -1.579 6.066 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.424 -3.756 4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.655 -2.483 3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.676 -2.235 4.432 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.789 -1.305 5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.771 -2.776 7.076 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.383 -3.764 6.664 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.071 -3.897 5.241 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.577 -4.983 6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.152 -6.016 4.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.652 -5.627 5.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.277 -4.675 3.867 1.00 0.00 H new ATOM 1146 N SER A 86 7.461 -1.043 3.010 1.00 0.00 N ATOM 1147 CA SER A 86 7.076 -0.001 2.066 1.00 0.00 C ATOM 1148 C SER A 86 5.977 0.876 2.655 1.00 0.00 C ATOM 1149 O SER A 86 5.969 2.093 2.466 1.00 0.00 O ATOM 1150 CB SER A 86 6.604 -0.621 0.750 1.00 0.00 C ATOM 1151 OG SER A 86 7.659 -0.680 -0.194 1.00 0.00 O ATOM 0 H SER A 86 7.265 -1.992 2.693 1.00 0.00 H new ATOM 0 HA SER A 86 7.949 0.621 1.868 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.220 -1.624 0.934 1.00 0.00 H new ATOM 0 HB3 SER A 86 5.780 -0.035 0.343 1.00 0.00 H new ATOM 0 HG SER A 86 7.332 -1.082 -1.026 1.00 0.00 H new ATOM 1157 N SER A 87 5.051 0.250 3.374 1.00 0.00 N ATOM 1158 CA SER A 87 3.949 0.973 3.996 1.00 0.00 C ATOM 1159 C SER A 87 4.466 1.905 5.084 1.00 0.00 C ATOM 1160 O SER A 87 4.082 3.071 5.150 1.00 0.00 O ATOM 1161 CB SER A 87 2.932 -0.004 4.585 1.00 0.00 C ATOM 1162 OG SER A 87 3.379 -0.526 5.823 1.00 0.00 O ATOM 0 H SER A 87 5.042 -0.756 3.540 1.00 0.00 H new ATOM 0 HA SER A 87 3.458 1.570 3.228 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.977 0.502 4.725 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.761 -0.821 3.884 1.00 0.00 H new ATOM 0 HG SER A 87 4.281 -0.894 5.716 1.00 0.00 H new ATOM 1168 N GLU A 88 5.348 1.388 5.935 1.00 0.00 N ATOM 1169 CA GLU A 88 5.922 2.183 7.017 1.00 0.00 C ATOM 1170 C GLU A 88 6.562 3.453 6.467 1.00 0.00 C ATOM 1171 O GLU A 88 6.378 4.542 7.011 1.00 0.00 O ATOM 1172 CB GLU A 88 6.959 1.362 7.788 1.00 0.00 C ATOM 1173 CG GLU A 88 6.678 1.275 9.280 1.00 0.00 C ATOM 1174 CD GLU A 88 7.398 2.351 10.072 1.00 0.00 C ATOM 1175 OE1 GLU A 88 8.550 2.677 9.717 1.00 0.00 O ATOM 1176 OE2 GLU A 88 6.808 2.865 11.044 1.00 0.00 O ATOM 0 H GLU A 88 5.680 0.424 5.897 1.00 0.00 H new ATOM 0 HA GLU A 88 5.120 2.465 7.699 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.994 0.354 7.374 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.944 1.803 7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.605 1.361 9.450 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.981 0.294 9.647 1.00 0.00 H new ATOM 1183 N ASP A 89 7.304 3.302 5.377 1.00 0.00 N ATOM 1184 CA ASP A 89 7.965 4.433 4.740 1.00 0.00 C ATOM 1185 C ASP A 89 6.940 5.378 4.123 1.00 0.00 C ATOM 1186 O ASP A 89 7.160 6.586 4.046 1.00 0.00 O ATOM 1187 CB ASP A 89 8.940 3.945 3.667 1.00 0.00 C ATOM 1188 CG ASP A 89 10.186 4.803 3.583 1.00 0.00 C ATOM 1189 OD1 ASP A 89 10.095 5.932 3.053 1.00 0.00 O ATOM 1190 OD2 ASP A 89 11.254 4.348 4.046 1.00 0.00 O ATOM 0 H ASP A 89 7.463 2.406 4.916 1.00 0.00 H new ATOM 0 HA ASP A 89 8.523 4.976 5.503 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.226 2.915 3.881 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.439 3.942 2.699 1.00 0.00 H new ATOM 1195 N LEU A 90 5.814 4.817 3.688 1.00 0.00 N ATOM 1196 CA LEU A 90 4.751 5.611 3.081 1.00 0.00 C ATOM 1197 C LEU A 90 4.189 6.613 4.080 1.00 0.00 C ATOM 1198 O LEU A 90 4.038 7.795 3.771 1.00 0.00 O ATOM 1199 CB LEU A 90 3.635 4.701 2.564 1.00 0.00 C ATOM 1200 CG LEU A 90 2.416 5.427 1.994 1.00 0.00 C ATOM 1201 CD1 LEU A 90 1.811 4.634 0.847 1.00 0.00 C ATOM 1202 CD2 LEU A 90 1.383 5.668 3.084 1.00 0.00 C ATOM 0 H LEU A 90 5.615 3.818 3.745 1.00 0.00 H new ATOM 0 HA LEU A 90 5.174 6.161 2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.046 4.052 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.306 4.057 3.379 1.00 0.00 H new ATOM 0 HG LEU A 90 2.739 6.394 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.945 5.166 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.552 4.514 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.502 3.653 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.522 6.186 2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.064 4.713 3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.822 6.279 3.873 1.00 0.00 H new ATOM 1214 N LEU A 91 3.890 6.137 5.282 1.00 0.00 N ATOM 1215 CA LEU A 91 3.355 7.001 6.330 1.00 0.00 C ATOM 1216 C LEU A 91 4.372 8.074 6.678 1.00 0.00 C ATOM 1217 O LEU A 91 4.052 9.262 6.728 1.00 0.00 O ATOM 1218 CB LEU A 91 3.004 6.198 7.584 1.00 0.00 C ATOM 1219 CG LEU A 91 2.442 4.804 7.324 1.00 0.00 C ATOM 1220 CD1 LEU A 91 2.283 4.039 8.630 1.00 0.00 C ATOM 1221 CD2 LEU A 91 1.113 4.890 6.585 1.00 0.00 C ATOM 0 H LEU A 91 4.008 5.162 5.556 1.00 0.00 H new ATOM 0 HA LEU A 91 2.443 7.465 5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.900 6.103 8.198 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.277 6.763 8.167 1.00 0.00 H new ATOM 0 HG LEU A 91 3.147 4.262 6.694 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.881 3.047 8.424 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.254 3.943 9.116 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.600 4.578 9.287 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.729 3.885 6.409 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.398 5.452 7.186 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.260 5.395 5.630 1.00 0.00 H new ATOM 1233 N SER A 92 5.607 7.642 6.908 1.00 0.00 N ATOM 1234 CA SER A 92 6.689 8.560 7.241 1.00 0.00 C ATOM 1235 C SER A 92 6.851 9.612 6.149 1.00 0.00 C ATOM 1236 O SER A 92 7.072 10.790 6.432 1.00 0.00 O ATOM 1237 CB SER A 92 7.999 7.794 7.429 1.00 0.00 C ATOM 1238 OG SER A 92 7.858 6.770 8.398 1.00 0.00 O ATOM 0 H SER A 92 5.883 6.661 6.870 1.00 0.00 H new ATOM 0 HA SER A 92 6.438 9.062 8.176 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.309 7.359 6.479 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.786 8.483 7.736 1.00 0.00 H new ATOM 0 HG SER A 92 7.379 6.011 8.005 1.00 0.00 H new ATOM 1244 N ALA A 93 6.730 9.178 4.899 1.00 0.00 N ATOM 1245 CA ALA A 93 6.853 10.080 3.762 1.00 0.00 C ATOM 1246 C ALA A 93 5.687 11.060 3.723 1.00 0.00 C ATOM 1247 O ALA A 93 5.885 12.273 3.641 1.00 0.00 O ATOM 1248 CB ALA A 93 6.926 9.289 2.465 1.00 0.00 C ATOM 0 H ALA A 93 6.547 8.206 4.648 1.00 0.00 H new ATOM 0 HA ALA A 93 7.775 10.651 3.874 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.018 9.977 1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.793 8.629 2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.020 8.694 2.350 1.00 0.00 H new ATOM 1254 N LEU A 94 4.470 10.528 3.789 1.00 0.00 N ATOM 1255 CA LEU A 94 3.268 11.355 3.769 1.00 0.00 C ATOM 1256 C LEU A 94 3.333 12.430 4.847 1.00 0.00 C ATOM 1257 O LEU A 94 3.146 13.615 4.569 1.00 0.00 O ATOM 1258 CB LEU A 94 2.023 10.485 3.966 1.00 0.00 C ATOM 1259 CG LEU A 94 1.062 10.449 2.776 1.00 0.00 C ATOM 1260 CD1 LEU A 94 1.781 9.970 1.524 1.00 0.00 C ATOM 1261 CD2 LEU A 94 -0.134 9.558 3.085 1.00 0.00 C ATOM 0 H LEU A 94 4.290 9.526 3.857 1.00 0.00 H new ATOM 0 HA LEU A 94 3.207 11.846 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.342 9.466 4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.481 10.846 4.840 1.00 0.00 H new ATOM 0 HG LEU A 94 0.698 11.460 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.082 9.951 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.603 10.648 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.174 8.967 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.808 9.543 2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.211 8.545 3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.662 9.947 3.955 1.00 0.00 H new ATOM 1273 N GLN A 95 3.612 12.009 6.074 1.00 0.00 N ATOM 1274 CA GLN A 95 3.716 12.938 7.195 1.00 0.00 C ATOM 1275 C GLN A 95 4.743 14.019 6.885 1.00 0.00 C ATOM 1276 O GLN A 95 4.541 15.195 7.189 1.00 0.00 O ATOM 1277 CB GLN A 95 4.104 12.191 8.474 1.00 0.00 C ATOM 1278 CG GLN A 95 2.930 11.921 9.401 1.00 0.00 C ATOM 1279 CD GLN A 95 1.788 11.209 8.704 1.00 0.00 C ATOM 1280 OE1 GLN A 95 0.677 11.730 8.618 1.00 0.00 O ATOM 1281 NE2 GLN A 95 2.057 10.010 8.201 1.00 0.00 N ATOM 0 H GLN A 95 3.770 11.032 6.319 1.00 0.00 H new ATOM 0 HA GLN A 95 2.745 13.408 7.349 1.00 0.00 H new ATOM 0 HB2 GLN A 95 4.569 11.243 8.204 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.854 12.772 9.011 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.269 11.318 10.244 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.569 12.865 9.809 1.00 0.00 H new ATOM 0 HE21 GLN A 95 2.993 9.616 8.295 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.328 9.483 7.720 1.00 0.00 H new ATOM 1290 N LYS A 96 5.843 13.608 6.265 1.00 0.00 N ATOM 1291 CA LYS A 96 6.906 14.529 5.892 1.00 0.00 C ATOM 1292 C LYS A 96 6.376 15.610 4.960 1.00 0.00 C ATOM 1293 O LYS A 96 6.545 16.804 5.209 1.00 0.00 O ATOM 1294 CB LYS A 96 8.033 13.760 5.203 1.00 0.00 C ATOM 1295 CG LYS A 96 9.339 13.817 5.957 1.00 0.00 C ATOM 1296 CD LYS A 96 10.137 12.533 5.795 1.00 0.00 C ATOM 1297 CE LYS A 96 10.596 12.342 4.357 1.00 0.00 C ATOM 1298 NZ LYS A 96 11.981 12.844 4.145 1.00 0.00 N ATOM 0 H LYS A 96 6.021 12.637 6.009 1.00 0.00 H new ATOM 0 HA LYS A 96 7.288 15.006 6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.734 12.718 5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.181 14.165 4.202 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.930 14.660 5.599 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.142 13.992 7.015 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.004 12.556 6.455 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.527 11.683 6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.550 11.284 4.099 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.914 12.864 3.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.256 12.696 3.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.020 13.859 4.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.636 12.328 4.767 1.00 0.00 H new ATOM 1312 N LYS A 97 5.736 15.171 3.885 1.00 0.00 N ATOM 1313 CA LYS A 97 5.174 16.085 2.895 1.00 0.00 C ATOM 1314 C LYS A 97 4.231 17.093 3.547 1.00 0.00 C ATOM 1315 O LYS A 97 4.179 18.256 3.146 1.00 0.00 O ATOM 1316 CB LYS A 97 4.426 15.301 1.813 1.00 0.00 C ATOM 1317 CG LYS A 97 5.173 14.072 1.322 1.00 0.00 C ATOM 1318 CD LYS A 97 4.938 13.832 -0.161 1.00 0.00 C ATOM 1319 CE LYS A 97 5.513 12.497 -0.611 1.00 0.00 C ATOM 1320 NZ LYS A 97 6.364 12.641 -1.825 1.00 0.00 N ATOM 0 H LYS A 97 5.592 14.184 3.674 1.00 0.00 H new ATOM 0 HA LYS A 97 5.999 16.632 2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.456 14.993 2.205 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.233 15.960 0.967 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.240 14.196 1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.850 13.198 1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.868 13.857 -0.369 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.393 14.638 -0.737 1.00 0.00 H new ATOM 0 HE2 LYS A 97 6.103 12.065 0.197 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.699 11.802 -0.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 6.458 11.718 -2.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.924 13.319 -2.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 7.306 12.987 -1.550 1.00 0.00 H new ATOM 1334 N LYS A 98 3.488 16.642 4.553 1.00 0.00 N ATOM 1335 CA LYS A 98 2.551 17.513 5.255 1.00 0.00 C ATOM 1336 C LYS A 98 3.292 18.634 5.969 1.00 0.00 C ATOM 1337 O LYS A 98 2.997 19.812 5.775 1.00 0.00 O ATOM 1338 CB LYS A 98 1.736 16.712 6.263 1.00 0.00 C ATOM 1339 CG LYS A 98 0.754 15.757 5.615 1.00 0.00 C ATOM 1340 CD LYS A 98 0.712 14.429 6.348 1.00 0.00 C ATOM 1341 CE LYS A 98 -0.710 13.904 6.483 1.00 0.00 C ATOM 1342 NZ LYS A 98 -1.122 13.776 7.909 1.00 0.00 N ATOM 0 H LYS A 98 3.516 15.683 4.899 1.00 0.00 H new ATOM 0 HA LYS A 98 1.877 17.951 4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.415 16.147 6.901 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.191 17.401 6.908 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.240 16.203 5.609 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.036 15.592 4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.320 13.699 5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.152 14.546 7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.395 14.575 5.966 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.786 12.933 5.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.131 13.530 7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.561 13.029 8.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.962 14.679 8.399 1.00 0.00 H new ATOM 1356 N GLN A 99 4.262 18.252 6.791 1.00 0.00 N ATOM 1357 CA GLN A 99 5.058 19.220 7.531 1.00 0.00 C ATOM 1358 C GLN A 99 5.840 20.113 6.575 1.00 0.00 C ATOM 1359 O GLN A 99 6.197 21.241 6.914 1.00 0.00 O ATOM 1360 CB GLN A 99 6.017 18.502 8.484 1.00 0.00 C ATOM 1361 CG GLN A 99 5.489 18.388 9.905 1.00 0.00 C ATOM 1362 CD GLN A 99 6.508 17.792 10.857 1.00 0.00 C ATOM 1363 OE1 GLN A 99 6.985 18.464 11.772 1.00 0.00 O ATOM 1364 NE2 GLN A 99 6.844 16.525 10.648 1.00 0.00 N ATOM 0 H GLN A 99 4.515 17.279 6.961 1.00 0.00 H new ATOM 0 HA GLN A 99 4.383 19.845 8.116 1.00 0.00 H new ATOM 0 HB2 GLN A 99 6.219 17.503 8.099 1.00 0.00 H new ATOM 0 HB3 GLN A 99 6.968 19.035 8.500 1.00 0.00 H new ATOM 0 HG2 GLN A 99 5.198 19.376 10.261 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.590 17.771 9.907 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.423 16.006 9.877 1.00 0.00 H new ATOM 0 HE22 GLN A 99 7.523 16.070 11.258 1.00 0.00 H new ATOM 1373 N GLN A 100 6.108 19.597 5.377 1.00 0.00 N ATOM 1374 CA GLN A 100 6.850 20.347 4.372 1.00 0.00 C ATOM 1375 C GLN A 100 5.964 21.390 3.699 1.00 0.00 C ATOM 1376 O GLN A 100 6.312 22.570 3.643 1.00 0.00 O ATOM 1377 CB GLN A 100 7.426 19.396 3.320 1.00 0.00 C ATOM 1378 CG GLN A 100 8.787 18.830 3.691 1.00 0.00 C ATOM 1379 CD GLN A 100 9.216 17.697 2.780 1.00 0.00 C ATOM 1380 OE1 GLN A 100 9.661 17.924 1.655 1.00 0.00 O ATOM 1381 NE2 GLN A 100 9.083 16.467 3.262 1.00 0.00 N ATOM 0 H GLN A 100 5.822 18.664 5.081 1.00 0.00 H new ATOM 0 HA GLN A 100 7.667 20.865 4.874 1.00 0.00 H new ATOM 0 HB2 GLN A 100 6.729 18.572 3.167 1.00 0.00 H new ATOM 0 HB3 GLN A 100 7.508 19.925 2.371 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.531 19.626 3.650 1.00 0.00 H new ATOM 0 HG3 GLN A 100 8.759 18.473 4.720 1.00 0.00 H new ATOM 0 HE21 GLN A 100 8.709 16.325 4.200 1.00 0.00 H new ATOM 0 HE22 GLN A 100 9.354 15.665 2.694 1.00 0.00 H new ATOM 1390 N GLU A 101 4.819 20.949 3.190 1.00 0.00 N ATOM 1391 CA GLU A 101 3.885 21.844 2.519 1.00 0.00 C ATOM 1392 C GLU A 101 2.484 21.712 3.106 1.00 0.00 C ATOM 1393 O GLU A 101 2.104 20.650 3.600 1.00 0.00 O ATOM 1394 CB GLU A 101 3.851 21.551 1.019 1.00 0.00 C ATOM 1395 CG GLU A 101 5.223 21.568 0.364 1.00 0.00 C ATOM 1396 CD GLU A 101 5.150 21.458 -1.146 1.00 0.00 C ATOM 1397 OE1 GLU A 101 4.185 20.848 -1.650 1.00 0.00 O ATOM 1398 OE2 GLU A 101 6.058 21.982 -1.824 1.00 0.00 O ATOM 0 H GLU A 101 4.516 19.976 3.230 1.00 0.00 H new ATOM 0 HA GLU A 101 4.229 22.867 2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.393 20.575 0.858 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.214 22.287 0.528 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.738 22.490 0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.819 20.744 0.756 1.00 0.00 H new ATOM 1405 N GLU A 102 1.720 22.799 3.048 1.00 0.00 N ATOM 1406 CA GLU A 102 0.360 22.805 3.571 1.00 0.00 C ATOM 1407 C GLU A 102 -0.653 22.573 2.456 1.00 0.00 C ATOM 1408 O GLU A 102 -1.652 21.879 2.646 1.00 0.00 O ATOM 1409 CB GLU A 102 0.068 24.132 4.275 1.00 0.00 C ATOM 1410 CG GLU A 102 0.998 24.419 5.443 1.00 0.00 C ATOM 1411 CD GLU A 102 0.788 23.466 6.602 1.00 0.00 C ATOM 1412 OE1 GLU A 102 1.444 22.403 6.623 1.00 0.00 O ATOM 1413 OE2 GLU A 102 -0.031 23.783 7.491 1.00 0.00 O ATOM 0 H GLU A 102 2.021 23.686 2.644 1.00 0.00 H new ATOM 0 HA GLU A 102 0.271 21.992 4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.147 24.943 3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.961 24.124 4.634 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.032 24.352 5.105 1.00 0.00 H new ATOM 0 HG3 GLU A 102 0.841 25.442 5.785 1.00 0.00 H new ATOM 1420 N GLU A 103 -0.389 23.157 1.293 1.00 0.00 N ATOM 1421 CA GLU A 103 -1.277 23.014 0.146 1.00 0.00 C ATOM 1422 C GLU A 103 -0.483 22.776 -1.135 1.00 0.00 C ATOM 1423 O GLU A 103 -0.661 21.759 -1.804 1.00 0.00 O ATOM 1424 CB GLU A 103 -2.164 24.254 -0.008 1.00 0.00 C ATOM 1425 CG GLU A 103 -1.436 25.569 0.228 1.00 0.00 C ATOM 1426 CD GLU A 103 -2.187 26.492 1.168 1.00 0.00 C ATOM 1427 OE1 GLU A 103 -3.416 26.642 0.996 1.00 0.00 O ATOM 1428 OE2 GLU A 103 -1.548 27.064 2.075 1.00 0.00 O ATOM 0 H GLU A 103 0.434 23.735 1.120 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.913 22.147 0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -2.590 24.261 -1.011 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.997 24.181 0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.448 25.364 0.639 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -1.286 26.073 -0.727 1.00 0.00 H new TER 1435 GLU A 103