USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 682 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 45 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.21) USER MOD Set 1.2: A 59 MET CE :methyl -165:sc= -0.134 (180deg=-0.209) USER MOD Set 2.1: A 40 MET CE :methyl 174:sc= 0 (180deg=-0.0865) USER MOD Set 2.2: A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 35 HIS : no HE2:sc= 0.717 K(o=1.3,f=-4.2!) USER MOD Set 3.2: B 199 CYS SG : rot -112:sc= 0.615 USER MOD Set 4.1: A 21 TYR OH : rot 180:sc= -0.131 USER MOD Set 4.2: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -153:sc= 1.5 (180deg=0.713!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 1.19 (180deg=1.19) USER MOD Single : A 29 GLN : amide:sc= 0.152 X(o=0.15,f=-0.15) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -132:sc= 1.13 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 78:sc= -0.11 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= 2.14 (180deg=1.66) USER MOD Single : A 50 SER OG : rot 69:sc= 0.901 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 80:sc= 0.48 USER MOD Single : A 53 GLN : amide:sc= -0.248 K(o=-0.25,f=-2) USER MOD Single : A 55 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.47) USER MOD Single : A 60 ASN : amide:sc= 0.485 K(o=0.49,f=-0.054) USER MOD Single : A 61 SER OG : rot -109:sc= 1.31 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 74 ASN : amide:sc= 0.187 K(o=0.19,f=-3.8!) USER MOD Single : A 75 HIS : no HD1:sc= -0.279 K(o=-0.28,f=-5.7!) USER MOD Single : A 76 THR OG1 : rot 81:sc= 1.26 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.0091 K(o=-0.0091,f=-1.1!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0537 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 12.972 -6.914 -0.707 1.00 10.00 N ATOM 2 CA TYR A 21 11.665 -6.287 -0.855 1.00 10.00 C ATOM 3 C TYR A 21 10.809 -6.543 0.374 1.00 10.00 C ATOM 4 O TYR A 21 10.761 -7.665 0.878 1.00 10.00 O ATOM 5 CB TYR A 21 10.946 -6.834 -2.090 1.00 10.00 C ATOM 6 CG TYR A 21 11.272 -6.109 -3.373 1.00 10.00 C ATOM 7 CD1 TYR A 21 10.329 -5.300 -3.994 1.00 10.00 C ATOM 8 CD2 TYR A 21 12.515 -6.245 -3.975 1.00 10.00 C ATOM 9 CE1 TYR A 21 10.615 -4.651 -5.176 1.00 10.00 C ATOM 10 CE2 TYR A 21 12.810 -5.595 -5.156 1.00 10.00 C ATOM 11 CZ TYR A 21 11.856 -4.801 -5.753 1.00 10.00 C ATOM 12 OH TYR A 21 12.145 -4.168 -6.938 1.00 10.00 O ATOM 0 HA TYR A 21 11.818 -5.214 -0.971 1.00 10.00 H new ATOM 0 HB2 TYR A 21 11.201 -7.887 -2.207 1.00 10.00 H new ATOM 0 HB3 TYR A 21 9.870 -6.783 -1.921 1.00 10.00 H new ATOM 0 HD1 TYR A 21 9.355 -5.177 -3.543 1.00 10.00 H new ATOM 0 HD2 TYR A 21 13.264 -6.870 -3.511 1.00 10.00 H new ATOM 0 HE1 TYR A 21 9.869 -4.028 -5.647 1.00 10.00 H new ATOM 0 HE2 TYR A 21 13.784 -5.708 -5.610 1.00 10.00 H new ATOM 0 HH TYR A 21 13.064 -4.379 -7.206 1.00 10.00 H new ATOM 22 N ILE A 22 10.146 -5.504 0.852 1.00 10.00 N ATOM 23 CA ILE A 22 9.277 -5.620 2.010 1.00 10.00 C ATOM 24 C ILE A 22 7.870 -5.947 1.536 1.00 10.00 C ATOM 25 O ILE A 22 7.211 -5.120 0.907 1.00 10.00 O ATOM 26 CB ILE A 22 9.256 -4.319 2.844 1.00 10.00 C ATOM 27 CG1 ILE A 22 10.681 -3.897 3.230 1.00 10.00 C ATOM 28 CG2 ILE A 22 8.393 -4.493 4.086 1.00 10.00 C ATOM 29 CD1 ILE A 22 11.414 -4.906 4.093 1.00 10.00 C ATOM 0 H ILE A 22 10.194 -4.566 0.454 1.00 10.00 H new ATOM 0 HA ILE A 22 9.660 -6.415 2.650 1.00 10.00 H new ATOM 0 HB ILE A 22 8.821 -3.529 2.232 1.00 10.00 H new ATOM 0 HG12 ILE A 22 11.257 -3.727 2.320 1.00 10.00 H new ATOM 0 HG13 ILE A 22 10.635 -2.946 3.761 1.00 10.00 H new ATOM 0 HG21 ILE A 22 8.391 -3.566 4.660 1.00 10.00 H new ATOM 0 HG22 ILE A 22 7.373 -4.738 3.789 1.00 10.00 H new ATOM 0 HG23 ILE A 22 8.796 -5.299 4.699 1.00 10.00 H new ATOM 0 HD11 ILE A 22 12.412 -4.533 4.321 1.00 10.00 H new ATOM 0 HD12 ILE A 22 10.863 -5.059 5.021 1.00 10.00 H new ATOM 0 HD13 ILE A 22 11.494 -5.852 3.558 1.00 10.00 H new ATOM 41 N LYS A 23 7.423 -7.154 1.819 1.00 10.00 N ATOM 42 CA LYS A 23 6.110 -7.593 1.387 1.00 10.00 C ATOM 43 C LYS A 23 5.081 -7.457 2.501 1.00 10.00 C ATOM 44 O LYS A 23 5.207 -8.067 3.565 1.00 10.00 O ATOM 45 CB LYS A 23 6.182 -9.039 0.906 1.00 10.00 C ATOM 46 CG LYS A 23 4.936 -9.513 0.184 1.00 10.00 C ATOM 47 CD LYS A 23 4.896 -11.029 0.099 1.00 10.00 C ATOM 48 CE LYS A 23 4.565 -11.655 1.442 1.00 10.00 C ATOM 49 NZ LYS A 23 5.785 -12.101 2.168 1.00 10.00 N ATOM 0 H LYS A 23 7.950 -7.850 2.347 1.00 10.00 H new ATOM 0 HA LYS A 23 5.791 -6.953 0.564 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.038 -9.147 0.240 1.00 10.00 H new ATOM 0 HB3 LYS A 23 6.361 -9.688 1.764 1.00 10.00 H new ATOM 0 HG2 LYS A 23 4.050 -9.152 0.706 1.00 10.00 H new ATOM 0 HG3 LYS A 23 4.910 -9.089 -0.820 1.00 10.00 H new ATOM 0 HD2 LYS A 23 4.153 -11.333 -0.638 1.00 10.00 H new ATOM 0 HD3 LYS A 23 5.860 -11.400 -0.248 1.00 10.00 H new ATOM 0 HE2 LYS A 23 4.023 -10.934 2.054 1.00 10.00 H new ATOM 0 HE3 LYS A 23 3.902 -12.507 1.291 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 5.542 -12.887 2.804 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 6.500 -12.418 1.483 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 6.166 -11.310 2.725 1.00 10.00 H new ATOM 63 N LEU A 24 4.068 -6.648 2.245 1.00 10.00 N ATOM 64 CA LEU A 24 2.993 -6.423 3.194 1.00 10.00 C ATOM 65 C LEU A 24 1.778 -7.244 2.784 1.00 10.00 C ATOM 66 O LEU A 24 1.602 -7.553 1.602 1.00 10.00 O ATOM 67 CB LEU A 24 2.626 -4.938 3.238 1.00 10.00 C ATOM 68 CG LEU A 24 3.812 -3.973 3.274 1.00 10.00 C ATOM 69 CD1 LEU A 24 3.348 -2.550 3.022 1.00 10.00 C ATOM 70 CD2 LEU A 24 4.541 -4.068 4.606 1.00 10.00 C ATOM 0 H LEU A 24 3.968 -6.129 1.373 1.00 10.00 H new ATOM 0 HA LEU A 24 3.323 -6.730 4.187 1.00 10.00 H new ATOM 0 HB2 LEU A 24 2.016 -4.705 2.365 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.007 -4.760 4.117 1.00 10.00 H new ATOM 0 HG LEU A 24 4.507 -4.255 2.483 1.00 10.00 H new ATOM 0 HD11 LEU A 24 4.205 -1.877 3.051 1.00 10.00 H new ATOM 0 HD12 LEU A 24 2.873 -2.490 2.043 1.00 10.00 H new ATOM 0 HD13 LEU A 24 2.632 -2.259 3.791 1.00 10.00 H new ATOM 0 HD21 LEU A 24 5.381 -3.374 4.611 1.00 10.00 H new ATOM 0 HD22 LEU A 24 3.856 -3.814 5.415 1.00 10.00 H new ATOM 0 HD23 LEU A 24 4.909 -5.084 4.748 1.00 10.00 H new ATOM 82 N LYS A 25 0.949 -7.605 3.748 1.00 10.00 N ATOM 83 CA LYS A 25 -0.242 -8.386 3.463 1.00 10.00 C ATOM 84 C LYS A 25 -1.483 -7.509 3.519 1.00 10.00 C ATOM 85 O LYS A 25 -1.867 -7.023 4.586 1.00 10.00 O ATOM 86 CB LYS A 25 -0.383 -9.547 4.451 1.00 10.00 C ATOM 87 CG LYS A 25 0.721 -10.588 4.336 1.00 10.00 C ATOM 88 CD LYS A 25 0.362 -11.871 5.072 1.00 10.00 C ATOM 89 CE LYS A 25 -0.687 -12.676 4.318 1.00 10.00 C ATOM 90 NZ LYS A 25 -1.005 -13.959 4.998 1.00 10.00 N ATOM 0 H LYS A 25 1.078 -7.371 4.732 1.00 10.00 H new ATOM 0 HA LYS A 25 -0.141 -8.794 2.457 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -0.391 -9.149 5.466 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -1.346 -10.033 4.292 1.00 10.00 H new ATOM 0 HG2 LYS A 25 0.904 -10.810 3.285 1.00 10.00 H new ATOM 0 HG3 LYS A 25 1.648 -10.182 4.742 1.00 10.00 H new ATOM 0 HD2 LYS A 25 1.258 -12.477 5.207 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -0.011 -11.628 6.067 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -1.597 -12.083 4.220 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -0.330 -12.880 3.309 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -1.723 -14.474 4.450 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -0.143 -14.537 5.069 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -1.371 -13.765 5.952 1.00 10.00 H new ATOM 104 N VAL A 26 -2.092 -7.294 2.364 1.00 10.00 N ATOM 105 CA VAL A 26 -3.299 -6.494 2.278 1.00 10.00 C ATOM 106 C VAL A 26 -4.506 -7.371 2.566 1.00 10.00 C ATOM 107 O VAL A 26 -4.772 -8.329 1.838 1.00 10.00 O ATOM 108 CB VAL A 26 -3.473 -5.853 0.887 1.00 10.00 C ATOM 109 CG1 VAL A 26 -4.576 -4.810 0.911 1.00 10.00 C ATOM 110 CG2 VAL A 26 -2.167 -5.249 0.396 1.00 10.00 C ATOM 0 H VAL A 26 -1.767 -7.665 1.471 1.00 10.00 H new ATOM 0 HA VAL A 26 -3.215 -5.693 3.012 1.00 10.00 H new ATOM 0 HB VAL A 26 -3.761 -6.638 0.188 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -4.682 -4.370 -0.081 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -5.515 -5.280 1.202 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -4.323 -4.030 1.629 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -2.319 -4.804 -0.587 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.836 -4.481 1.095 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.408 -6.029 0.328 1.00 10.00 H new ATOM 120 N ILE A 27 -5.218 -7.053 3.632 1.00 10.00 N ATOM 121 CA ILE A 27 -6.386 -7.828 4.015 1.00 10.00 C ATOM 122 C ILE A 27 -7.634 -7.311 3.311 1.00 10.00 C ATOM 123 O ILE A 27 -8.249 -6.334 3.744 1.00 10.00 O ATOM 124 CB ILE A 27 -6.603 -7.798 5.542 1.00 10.00 C ATOM 125 CG1 ILE A 27 -5.293 -8.112 6.277 1.00 10.00 C ATOM 126 CG2 ILE A 27 -7.698 -8.777 5.948 1.00 10.00 C ATOM 127 CD1 ILE A 27 -4.720 -9.477 5.956 1.00 10.00 C ATOM 0 H ILE A 27 -5.010 -6.266 4.247 1.00 10.00 H new ATOM 0 HA ILE A 27 -6.206 -8.859 3.710 1.00 10.00 H new ATOM 0 HB ILE A 27 -6.922 -6.795 5.825 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -4.555 -7.351 6.025 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -5.466 -8.045 7.351 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -7.836 -8.741 7.029 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -8.631 -8.505 5.454 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -7.412 -9.786 5.652 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -3.795 -9.624 6.514 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -5.438 -10.248 6.235 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.514 -9.543 4.888 1.00 10.00 H new ATOM 139 N GLY A 28 -7.993 -7.962 2.213 1.00 10.00 N ATOM 140 CA GLY A 28 -9.166 -7.562 1.462 1.00 10.00 C ATOM 141 C GLY A 28 -10.449 -7.788 2.238 1.00 10.00 C ATOM 142 O GLY A 28 -10.490 -8.614 3.153 1.00 10.00 O ATOM 0 H GLY A 28 -7.491 -8.762 1.828 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -9.084 -6.508 1.198 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -9.205 -8.122 0.528 1.00 10.00 H new ATOM 146 N GLN A 29 -11.502 -7.073 1.861 1.00 10.00 N ATOM 147 CA GLN A 29 -12.791 -7.193 2.530 1.00 10.00 C ATOM 148 C GLN A 29 -13.442 -8.533 2.194 1.00 10.00 C ATOM 149 O GLN A 29 -14.328 -9.001 2.906 1.00 10.00 O ATOM 150 CB GLN A 29 -13.711 -6.034 2.127 1.00 10.00 C ATOM 151 CG GLN A 29 -15.008 -5.959 2.925 1.00 10.00 C ATOM 152 CD GLN A 29 -14.781 -5.905 4.425 1.00 10.00 C ATOM 153 OE1 GLN A 29 -14.628 -4.832 5.003 1.00 10.00 O ATOM 154 NE2 GLN A 29 -14.765 -7.064 5.065 1.00 10.00 N ATOM 0 H GLN A 29 -11.488 -6.402 1.093 1.00 10.00 H new ATOM 0 HA GLN A 29 -12.629 -7.148 3.607 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -13.169 -5.096 2.247 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -13.954 -6.129 1.069 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -15.567 -5.076 2.616 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -15.624 -6.826 2.688 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -14.896 -7.934 4.548 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -14.622 -7.087 6.075 1.00 10.00 H new ATOM 163 N ASP A 30 -12.996 -9.146 1.106 1.00 10.00 N ATOM 164 CA ASP A 30 -13.527 -10.441 0.689 1.00 10.00 C ATOM 165 C ASP A 30 -12.561 -11.558 1.076 1.00 10.00 C ATOM 166 O ASP A 30 -12.596 -12.658 0.515 1.00 10.00 O ATOM 167 CB ASP A 30 -13.816 -10.455 -0.820 1.00 10.00 C ATOM 168 CG ASP A 30 -12.568 -10.557 -1.673 1.00 10.00 C ATOM 169 OD1 ASP A 30 -11.824 -9.558 -1.773 1.00 10.00 O ATOM 170 OD2 ASP A 30 -12.332 -11.627 -2.268 1.00 10.00 O ATOM 0 H ASP A 30 -12.270 -8.770 0.496 1.00 10.00 H new ATOM 0 HA ASP A 30 -14.471 -10.611 1.207 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -14.472 -11.295 -1.048 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -14.356 -9.547 -1.087 1.00 10.00 H new ATOM 175 N SER A 31 -11.706 -11.255 2.054 1.00 10.00 N ATOM 176 CA SER A 31 -10.716 -12.202 2.570 1.00 10.00 C ATOM 177 C SER A 31 -9.663 -12.562 1.520 1.00 10.00 C ATOM 178 O SER A 31 -9.143 -13.677 1.509 1.00 10.00 O ATOM 179 CB SER A 31 -11.404 -13.464 3.098 1.00 10.00 C ATOM 180 OG SER A 31 -12.158 -13.180 4.266 1.00 10.00 O ATOM 0 H SER A 31 -11.680 -10.344 2.512 1.00 10.00 H new ATOM 0 HA SER A 31 -10.197 -11.712 3.394 1.00 10.00 H new ATOM 0 HB2 SER A 31 -12.058 -13.875 2.329 1.00 10.00 H new ATOM 0 HB3 SER A 31 -10.656 -14.225 3.320 1.00 10.00 H new ATOM 0 HG SER A 31 -12.590 -14.000 4.584 1.00 10.00 H new ATOM 186 N SER A 32 -9.348 -11.611 0.650 1.00 10.00 N ATOM 187 CA SER A 32 -8.345 -11.820 -0.381 1.00 10.00 C ATOM 188 C SER A 32 -6.977 -11.414 0.154 1.00 10.00 C ATOM 189 O SER A 32 -6.842 -10.358 0.780 1.00 10.00 O ATOM 190 CB SER A 32 -8.694 -11.000 -1.620 1.00 10.00 C ATOM 191 OG SER A 32 -9.301 -9.771 -1.256 1.00 10.00 O ATOM 0 H SER A 32 -9.775 -10.685 0.640 1.00 10.00 H new ATOM 0 HA SER A 32 -8.322 -12.874 -0.658 1.00 10.00 H new ATOM 0 HB2 SER A 32 -7.792 -10.807 -2.200 1.00 10.00 H new ATOM 0 HB3 SER A 32 -9.369 -11.569 -2.260 1.00 10.00 H new ATOM 0 HG SER A 32 -10.108 -9.633 -1.794 1.00 10.00 H new ATOM 197 N GLU A 33 -5.973 -12.247 -0.070 1.00 10.00 N ATOM 198 CA GLU A 33 -4.633 -11.952 0.405 1.00 10.00 C ATOM 199 C GLU A 33 -3.781 -11.347 -0.705 1.00 10.00 C ATOM 200 O GLU A 33 -3.260 -12.059 -1.567 1.00 10.00 O ATOM 201 CB GLU A 33 -3.967 -13.216 0.948 1.00 10.00 C ATOM 202 CG GLU A 33 -4.659 -13.787 2.174 1.00 10.00 C ATOM 203 CD GLU A 33 -3.819 -14.827 2.878 1.00 10.00 C ATOM 204 OE1 GLU A 33 -3.354 -14.557 4.004 1.00 10.00 O ATOM 205 OE2 GLU A 33 -3.609 -15.919 2.311 1.00 10.00 O ATOM 0 H GLU A 33 -6.061 -13.129 -0.576 1.00 10.00 H new ATOM 0 HA GLU A 33 -4.716 -11.223 1.211 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -3.950 -13.973 0.164 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -2.930 -12.992 1.197 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -4.888 -12.978 2.868 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -5.609 -14.231 1.878 1.00 10.00 H new ATOM 212 N ILE A 34 -3.660 -10.030 -0.694 1.00 10.00 N ATOM 213 CA ILE A 34 -2.857 -9.345 -1.694 1.00 10.00 C ATOM 214 C ILE A 34 -1.482 -9.034 -1.120 1.00 10.00 C ATOM 215 O ILE A 34 -1.357 -8.405 -0.070 1.00 10.00 O ATOM 216 CB ILE A 34 -3.519 -8.042 -2.198 1.00 10.00 C ATOM 217 CG1 ILE A 34 -5.006 -8.268 -2.505 1.00 10.00 C ATOM 218 CG2 ILE A 34 -2.796 -7.520 -3.434 1.00 10.00 C ATOM 219 CD1 ILE A 34 -5.258 -9.296 -3.590 1.00 10.00 C ATOM 0 H ILE A 34 -4.104 -9.417 -0.010 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.768 -10.013 -2.551 1.00 10.00 H new ATOM 0 HB ILE A 34 -3.443 -7.295 -1.408 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -5.511 -8.585 -1.593 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -5.454 -7.320 -2.805 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -3.275 -6.602 -3.775 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -1.754 -7.315 -3.187 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -2.841 -8.269 -4.225 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -6.331 -9.400 -3.750 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -4.783 -8.972 -4.516 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -4.842 -10.256 -3.285 1.00 10.00 H new ATOM 231 N HIS A 35 -0.461 -9.507 -1.806 1.00 10.00 N ATOM 232 CA HIS A 35 0.915 -9.310 -1.398 1.00 10.00 C ATOM 233 C HIS A 35 1.473 -8.033 -2.014 1.00 10.00 C ATOM 234 O HIS A 35 1.746 -7.976 -3.216 1.00 10.00 O ATOM 235 CB HIS A 35 1.773 -10.502 -1.833 1.00 10.00 C ATOM 236 CG HIS A 35 1.256 -11.837 -1.383 1.00 10.00 C ATOM 237 ND1 HIS A 35 1.287 -12.931 -2.217 1.00 10.00 N ATOM 238 CD2 HIS A 35 0.714 -12.202 -0.194 1.00 10.00 C ATOM 239 CE1 HIS A 35 0.770 -13.932 -1.522 1.00 10.00 C ATOM 240 NE2 HIS A 35 0.413 -13.537 -0.295 1.00 10.00 N ATOM 0 H HIS A 35 -0.564 -10.042 -2.668 1.00 10.00 H new ATOM 0 HA HIS A 35 0.941 -9.225 -0.312 1.00 10.00 H new ATOM 0 HB2 HIS A 35 1.847 -10.503 -2.920 1.00 10.00 H new ATOM 0 HB3 HIS A 35 2.783 -10.368 -1.445 1.00 10.00 H new ATOM 0 HD1 HIS A 35 1.637 -12.964 -3.175 1.00 10.00 H new ATOM 0 HD2 HIS A 35 0.551 -11.566 0.664 1.00 10.00 H new ATOM 0 HE1 HIS A 35 0.652 -14.938 -1.897 1.00 10.00 H new ATOM 248 N PHE A 36 1.632 -7.013 -1.192 1.00 10.00 N ATOM 249 CA PHE A 36 2.164 -5.743 -1.651 1.00 10.00 C ATOM 250 C PHE A 36 3.657 -5.684 -1.349 1.00 10.00 C ATOM 251 O PHE A 36 4.057 -5.480 -0.206 1.00 10.00 O ATOM 252 CB PHE A 36 1.428 -4.587 -0.968 1.00 10.00 C ATOM 253 CG PHE A 36 1.287 -3.355 -1.813 1.00 10.00 C ATOM 254 CD1 PHE A 36 2.221 -3.050 -2.787 1.00 10.00 C ATOM 255 CD2 PHE A 36 0.210 -2.503 -1.632 1.00 10.00 C ATOM 256 CE1 PHE A 36 2.086 -1.919 -3.563 1.00 10.00 C ATOM 257 CE2 PHE A 36 0.070 -1.368 -2.404 1.00 10.00 C ATOM 258 CZ PHE A 36 1.009 -1.076 -3.374 1.00 10.00 C ATOM 0 H PHE A 36 1.399 -7.039 -0.199 1.00 10.00 H new ATOM 0 HA PHE A 36 2.016 -5.652 -2.727 1.00 10.00 H new ATOM 0 HB2 PHE A 36 0.435 -4.927 -0.675 1.00 10.00 H new ATOM 0 HB3 PHE A 36 1.958 -4.326 -0.052 1.00 10.00 H new ATOM 0 HD1 PHE A 36 3.065 -3.706 -2.941 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -0.529 -2.730 -0.878 1.00 10.00 H new ATOM 0 HE1 PHE A 36 2.823 -1.692 -4.319 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -0.772 -0.709 -2.250 1.00 10.00 H new ATOM 0 HZ PHE A 36 0.901 -0.191 -3.983 1.00 10.00 H new ATOM 268 N LYS A 37 4.476 -5.877 -2.372 1.00 10.00 N ATOM 269 CA LYS A 37 5.923 -5.870 -2.192 1.00 10.00 C ATOM 270 C LYS A 37 6.519 -4.516 -2.553 1.00 10.00 C ATOM 271 O LYS A 37 6.459 -4.076 -3.701 1.00 10.00 O ATOM 272 CB LYS A 37 6.581 -6.993 -3.004 1.00 10.00 C ATOM 273 CG LYS A 37 5.887 -7.308 -4.321 1.00 10.00 C ATOM 274 CD LYS A 37 6.204 -8.717 -4.806 1.00 10.00 C ATOM 275 CE LYS A 37 7.701 -8.954 -4.922 1.00 10.00 C ATOM 276 NZ LYS A 37 8.007 -10.303 -5.469 1.00 10.00 N ATOM 0 H LYS A 37 4.168 -6.040 -3.331 1.00 10.00 H new ATOM 0 HA LYS A 37 6.127 -6.051 -1.137 1.00 10.00 H new ATOM 0 HB2 LYS A 37 7.615 -6.718 -3.210 1.00 10.00 H new ATOM 0 HB3 LYS A 37 6.607 -7.897 -2.396 1.00 10.00 H new ATOM 0 HG2 LYS A 37 4.809 -7.200 -4.199 1.00 10.00 H new ATOM 0 HG3 LYS A 37 6.196 -6.586 -5.076 1.00 10.00 H new ATOM 0 HD2 LYS A 37 5.774 -9.443 -4.116 1.00 10.00 H new ATOM 0 HD3 LYS A 37 5.734 -8.881 -5.776 1.00 10.00 H new ATOM 0 HE2 LYS A 37 8.140 -8.193 -5.566 1.00 10.00 H new ATOM 0 HE3 LYS A 37 8.163 -8.847 -3.941 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 9.038 -10.426 -5.533 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 7.610 -11.031 -4.841 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 7.588 -10.397 -6.416 1.00 10.00 H new ATOM 290 N VAL A 38 7.090 -3.863 -1.553 1.00 10.00 N ATOM 291 CA VAL A 38 7.704 -2.556 -1.730 1.00 10.00 C ATOM 292 C VAL A 38 9.218 -2.650 -1.540 1.00 10.00 C ATOM 293 O VAL A 38 9.743 -3.699 -1.168 1.00 10.00 O ATOM 294 CB VAL A 38 7.120 -1.524 -0.733 1.00 10.00 C ATOM 295 CG1 VAL A 38 5.601 -1.584 -0.733 1.00 10.00 C ATOM 296 CG2 VAL A 38 7.660 -1.753 0.675 1.00 10.00 C ATOM 0 H VAL A 38 7.141 -4.222 -0.600 1.00 10.00 H new ATOM 0 HA VAL A 38 7.486 -2.221 -2.744 1.00 10.00 H new ATOM 0 HB VAL A 38 7.431 -0.531 -1.057 1.00 10.00 H new ATOM 0 HG11 VAL A 38 5.208 -0.852 -0.027 1.00 10.00 H new ATOM 0 HG12 VAL A 38 5.228 -1.360 -1.733 1.00 10.00 H new ATOM 0 HG13 VAL A 38 5.276 -2.582 -0.439 1.00 10.00 H new ATOM 0 HG21 VAL A 38 7.233 -1.014 1.353 1.00 10.00 H new ATOM 0 HG22 VAL A 38 7.388 -2.754 1.011 1.00 10.00 H new ATOM 0 HG23 VAL A 38 8.746 -1.655 0.669 1.00 10.00 H new ATOM 306 N LYS A 39 9.913 -1.553 -1.788 1.00 10.00 N ATOM 307 CA LYS A 39 11.360 -1.510 -1.644 1.00 10.00 C ATOM 308 C LYS A 39 11.748 -0.342 -0.742 1.00 10.00 C ATOM 309 O LYS A 39 10.985 0.614 -0.591 1.00 10.00 O ATOM 310 CB LYS A 39 12.013 -1.362 -3.023 1.00 10.00 C ATOM 311 CG LYS A 39 13.532 -1.385 -3.008 1.00 10.00 C ATOM 312 CD LYS A 39 14.110 -0.961 -4.349 1.00 10.00 C ATOM 313 CE LYS A 39 14.150 -2.113 -5.337 1.00 10.00 C ATOM 314 NZ LYS A 39 14.595 -1.672 -6.685 1.00 10.00 N ATOM 0 H LYS A 39 9.496 -0.673 -2.092 1.00 10.00 H new ATOM 0 HA LYS A 39 11.710 -2.437 -1.190 1.00 10.00 H new ATOM 0 HB2 LYS A 39 11.657 -2.166 -3.668 1.00 10.00 H new ATOM 0 HB3 LYS A 39 11.681 -0.425 -3.469 1.00 10.00 H new ATOM 0 HG2 LYS A 39 13.899 -0.720 -2.226 1.00 10.00 H new ATOM 0 HG3 LYS A 39 13.879 -2.389 -2.762 1.00 10.00 H new ATOM 0 HD2 LYS A 39 13.512 -0.149 -4.762 1.00 10.00 H new ATOM 0 HD3 LYS A 39 15.118 -0.572 -4.203 1.00 10.00 H new ATOM 0 HE2 LYS A 39 14.824 -2.885 -4.967 1.00 10.00 H new ATOM 0 HE3 LYS A 39 13.160 -2.563 -5.411 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 14.609 -2.488 -7.330 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 13.938 -0.953 -7.050 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 15.550 -1.266 -6.620 1.00 10.00 H new ATOM 328 N MET A 40 12.919 -0.417 -0.129 1.00 10.00 N ATOM 329 CA MET A 40 13.380 0.654 0.743 1.00 10.00 C ATOM 330 C MET A 40 14.001 1.780 -0.083 1.00 10.00 C ATOM 331 O MET A 40 15.217 1.985 -0.068 1.00 10.00 O ATOM 332 CB MET A 40 14.378 0.120 1.773 1.00 10.00 C ATOM 333 CG MET A 40 14.526 1.017 2.993 1.00 10.00 C ATOM 334 SD MET A 40 12.938 1.578 3.648 1.00 10.00 S ATOM 335 CE MET A 40 12.151 0.017 4.043 1.00 10.00 C ATOM 0 H MET A 40 13.564 -1.202 -0.217 1.00 10.00 H new ATOM 0 HA MET A 40 12.522 1.056 1.282 1.00 10.00 H new ATOM 0 HB2 MET A 40 14.060 -0.871 2.096 1.00 10.00 H new ATOM 0 HB3 MET A 40 15.352 0.003 1.297 1.00 10.00 H new ATOM 0 HG2 MET A 40 15.065 0.477 3.772 1.00 10.00 H new ATOM 0 HG3 MET A 40 15.132 1.884 2.729 1.00 10.00 H new ATOM 0 HE1 MET A 40 11.207 0.205 4.555 1.00 10.00 H new ATOM 0 HE2 MET A 40 11.962 -0.538 3.124 1.00 10.00 H new ATOM 0 HE3 MET A 40 12.805 -0.567 4.691 1.00 10.00 H new ATOM 345 N THR A 41 13.146 2.489 -0.814 1.00 10.00 N ATOM 346 CA THR A 41 13.561 3.599 -1.664 1.00 10.00 C ATOM 347 C THR A 41 12.357 4.155 -2.407 1.00 10.00 C ATOM 348 O THR A 41 12.305 5.336 -2.759 1.00 10.00 O ATOM 349 CB THR A 41 14.636 3.168 -2.697 1.00 10.00 C ATOM 350 OG1 THR A 41 15.578 4.229 -2.886 1.00 10.00 O ATOM 351 CG2 THR A 41 14.023 2.774 -4.051 1.00 10.00 C ATOM 0 H THR A 41 12.142 2.309 -0.833 1.00 10.00 H new ATOM 0 HA THR A 41 13.996 4.361 -1.017 1.00 10.00 H new ATOM 0 HB THR A 41 15.137 2.287 -2.296 1.00 10.00 H new ATOM 0 HG1 THR A 41 16.256 3.952 -3.537 1.00 10.00 H new ATOM 0 HG21 THR A 41 14.817 2.481 -4.738 1.00 10.00 H new ATOM 0 HG22 THR A 41 13.337 1.938 -3.911 1.00 10.00 H new ATOM 0 HG23 THR A 41 13.480 3.623 -4.465 1.00 10.00 H new ATOM 359 N THR A 42 11.394 3.283 -2.627 1.00 10.00 N ATOM 360 CA THR A 42 10.191 3.616 -3.347 1.00 10.00 C ATOM 361 C THR A 42 9.357 4.662 -2.617 1.00 10.00 C ATOM 362 O THR A 42 8.955 4.459 -1.468 1.00 10.00 O ATOM 363 CB THR A 42 9.359 2.338 -3.542 1.00 10.00 C ATOM 364 OG1 THR A 42 10.152 1.195 -3.202 1.00 10.00 O ATOM 365 CG2 THR A 42 8.904 2.203 -4.970 1.00 10.00 C ATOM 0 H THR A 42 11.429 2.315 -2.306 1.00 10.00 H new ATOM 0 HA THR A 42 10.477 4.041 -4.309 1.00 10.00 H new ATOM 0 HB THR A 42 8.483 2.400 -2.896 1.00 10.00 H new ATOM 0 HG1 THR A 42 10.192 1.103 -2.227 1.00 10.00 H new ATOM 0 HG21 THR A 42 8.318 1.291 -5.080 1.00 10.00 H new ATOM 0 HG22 THR A 42 8.291 3.063 -5.239 1.00 10.00 H new ATOM 0 HG23 THR A 42 9.773 2.157 -5.626 1.00 10.00 H new ATOM 373 N HIS A 43 9.129 5.793 -3.278 1.00 10.00 N ATOM 374 CA HIS A 43 8.308 6.850 -2.706 1.00 10.00 C ATOM 375 C HIS A 43 6.911 6.291 -2.469 1.00 10.00 C ATOM 376 O HIS A 43 6.296 5.753 -3.393 1.00 10.00 O ATOM 377 CB HIS A 43 8.193 8.051 -3.652 1.00 10.00 C ATOM 378 CG HIS A 43 9.454 8.831 -3.918 1.00 10.00 C ATOM 379 ND1 HIS A 43 9.440 9.869 -4.819 1.00 10.00 N ATOM 380 CD2 HIS A 43 10.695 8.758 -3.359 1.00 10.00 C ATOM 381 CE1 HIS A 43 10.641 10.404 -4.782 1.00 10.00 C ATOM 382 NE2 HIS A 43 11.426 9.774 -3.910 1.00 10.00 N ATOM 0 H HIS A 43 9.500 5.999 -4.206 1.00 10.00 H new ATOM 0 HA HIS A 43 8.772 7.186 -1.779 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.806 7.695 -4.607 1.00 10.00 H new ATOM 0 HB3 HIS A 43 7.450 8.736 -3.243 1.00 10.00 H new ATOM 0 HD2 HIS A 43 11.034 8.040 -2.626 1.00 10.00 H new ATOM 0 HE1 HIS A 43 10.951 11.247 -5.382 1.00 10.00 H new ATOM 0 HE2 HIS A 43 12.395 10.007 -3.693 1.00 10.00 H new ATOM 390 N LEU A 44 6.397 6.427 -1.256 1.00 10.00 N ATOM 391 CA LEU A 44 5.070 5.902 -0.938 1.00 10.00 C ATOM 392 C LEU A 44 3.977 6.603 -1.748 1.00 10.00 C ATOM 393 O LEU A 44 2.846 6.122 -1.832 1.00 10.00 O ATOM 394 CB LEU A 44 4.786 6.013 0.559 1.00 10.00 C ATOM 395 CG LEU A 44 4.670 4.675 1.293 1.00 10.00 C ATOM 396 CD1 LEU A 44 4.717 4.884 2.796 1.00 10.00 C ATOM 397 CD2 LEU A 44 3.387 3.959 0.898 1.00 10.00 C ATOM 0 H LEU A 44 6.870 6.891 -0.480 1.00 10.00 H new ATOM 0 HA LEU A 44 5.061 4.848 -1.214 1.00 10.00 H new ATOM 0 HB2 LEU A 44 5.581 6.598 1.023 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.859 6.569 0.698 1.00 10.00 H new ATOM 0 HG LEU A 44 5.517 4.053 1.005 1.00 10.00 H new ATOM 0 HD11 LEU A 44 4.633 3.921 3.300 1.00 10.00 H new ATOM 0 HD12 LEU A 44 5.661 5.355 3.068 1.00 10.00 H new ATOM 0 HD13 LEU A 44 3.890 5.526 3.100 1.00 10.00 H new ATOM 0 HD21 LEU A 44 3.322 3.010 1.430 1.00 10.00 H new ATOM 0 HD22 LEU A 44 2.529 4.580 1.157 1.00 10.00 H new ATOM 0 HD23 LEU A 44 3.390 3.774 -0.176 1.00 10.00 H new ATOM 409 N LYS A 45 4.326 7.736 -2.345 1.00 10.00 N ATOM 410 CA LYS A 45 3.394 8.494 -3.169 1.00 10.00 C ATOM 411 C LYS A 45 2.913 7.644 -4.342 1.00 10.00 C ATOM 412 O LYS A 45 1.709 7.470 -4.548 1.00 10.00 O ATOM 413 CB LYS A 45 4.068 9.771 -3.687 1.00 10.00 C ATOM 414 CG LYS A 45 3.308 10.473 -4.805 1.00 10.00 C ATOM 415 CD LYS A 45 2.123 11.257 -4.274 1.00 10.00 C ATOM 416 CE LYS A 45 1.301 11.853 -5.405 1.00 10.00 C ATOM 417 NZ LYS A 45 0.192 12.701 -4.897 1.00 10.00 N ATOM 0 H LYS A 45 5.255 8.152 -2.273 1.00 10.00 H new ATOM 0 HA LYS A 45 2.533 8.770 -2.560 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.191 10.465 -2.856 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.067 9.521 -4.044 1.00 10.00 H new ATOM 0 HG2 LYS A 45 3.981 11.146 -5.335 1.00 10.00 H new ATOM 0 HG3 LYS A 45 2.961 9.735 -5.528 1.00 10.00 H new ATOM 0 HD2 LYS A 45 1.494 10.603 -3.670 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.476 12.054 -3.619 1.00 10.00 H new ATOM 0 HE2 LYS A 45 1.948 12.449 -6.049 1.00 10.00 H new ATOM 0 HE3 LYS A 45 0.892 11.050 -6.019 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -0.365 13.061 -5.698 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 -0.421 12.135 -4.276 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 0.584 13.501 -4.361 1.00 10.00 H new ATOM 431 N LYS A 46 3.864 7.093 -5.087 1.00 10.00 N ATOM 432 CA LYS A 46 3.542 6.274 -6.243 1.00 10.00 C ATOM 433 C LYS A 46 2.987 4.918 -5.820 1.00 10.00 C ATOM 434 O LYS A 46 2.275 4.262 -6.584 1.00 10.00 O ATOM 435 CB LYS A 46 4.775 6.088 -7.129 1.00 10.00 C ATOM 436 CG LYS A 46 4.472 5.391 -8.446 1.00 10.00 C ATOM 437 CD LYS A 46 5.628 5.495 -9.416 1.00 10.00 C ATOM 438 CE LYS A 46 5.616 6.826 -10.146 1.00 10.00 C ATOM 439 NZ LYS A 46 6.989 7.308 -10.442 1.00 10.00 N ATOM 0 H LYS A 46 4.863 7.200 -4.909 1.00 10.00 H new ATOM 0 HA LYS A 46 2.773 6.792 -6.815 1.00 10.00 H new ATOM 0 HB2 LYS A 46 5.215 7.063 -7.335 1.00 10.00 H new ATOM 0 HB3 LYS A 46 5.521 5.510 -6.584 1.00 10.00 H new ATOM 0 HG2 LYS A 46 4.248 4.341 -8.258 1.00 10.00 H new ATOM 0 HG3 LYS A 46 3.581 5.831 -8.894 1.00 10.00 H new ATOM 0 HD2 LYS A 46 6.569 5.381 -8.878 1.00 10.00 H new ATOM 0 HD3 LYS A 46 5.574 4.681 -10.139 1.00 10.00 H new ATOM 0 HE2 LYS A 46 5.058 6.724 -11.077 1.00 10.00 H new ATOM 0 HE3 LYS A 46 5.094 7.567 -9.541 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 6.937 8.219 -10.941 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 7.514 7.430 -9.552 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 7.479 6.613 -11.041 1.00 10.00 H new ATOM 453 N LEU A 47 3.311 4.500 -4.604 1.00 10.00 N ATOM 454 CA LEU A 47 2.834 3.224 -4.079 1.00 10.00 C ATOM 455 C LEU A 47 1.313 3.189 -4.088 1.00 10.00 C ATOM 456 O LEU A 47 0.694 2.242 -4.580 1.00 10.00 O ATOM 457 CB LEU A 47 3.333 3.015 -2.646 1.00 10.00 C ATOM 458 CG LEU A 47 4.534 2.080 -2.482 1.00 10.00 C ATOM 459 CD1 LEU A 47 4.197 0.682 -2.955 1.00 10.00 C ATOM 460 CD2 LEU A 47 5.747 2.625 -3.214 1.00 10.00 C ATOM 0 H LEU A 47 3.903 5.025 -3.960 1.00 10.00 H new ATOM 0 HA LEU A 47 3.221 2.427 -4.714 1.00 10.00 H new ATOM 0 HB2 LEU A 47 3.595 3.987 -2.229 1.00 10.00 H new ATOM 0 HB3 LEU A 47 2.509 2.624 -2.049 1.00 10.00 H new ATOM 0 HG LEU A 47 4.779 2.026 -1.421 1.00 10.00 H new ATOM 0 HD11 LEU A 47 5.066 0.036 -2.829 1.00 10.00 H new ATOM 0 HD12 LEU A 47 3.365 0.290 -2.369 1.00 10.00 H new ATOM 0 HD13 LEU A 47 3.917 0.712 -4.008 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.588 1.944 -3.083 1.00 10.00 H new ATOM 0 HD22 LEU A 47 5.519 2.720 -4.276 1.00 10.00 H new ATOM 0 HD23 LEU A 47 6.007 3.603 -2.810 1.00 10.00 H new ATOM 472 N LYS A 48 0.727 4.250 -3.562 1.00 10.00 N ATOM 473 CA LYS A 48 -0.718 4.376 -3.470 1.00 10.00 C ATOM 474 C LYS A 48 -1.368 4.490 -4.849 1.00 10.00 C ATOM 475 O LYS A 48 -2.408 3.880 -5.100 1.00 10.00 O ATOM 476 CB LYS A 48 -1.074 5.595 -2.617 1.00 10.00 C ATOM 477 CG LYS A 48 -0.477 5.548 -1.217 1.00 10.00 C ATOM 478 CD LYS A 48 -0.662 6.866 -0.482 1.00 10.00 C ATOM 479 CE LYS A 48 -2.126 7.139 -0.184 1.00 10.00 C ATOM 480 NZ LYS A 48 -2.320 8.437 0.512 1.00 10.00 N ATOM 0 H LYS A 48 1.239 5.049 -3.187 1.00 10.00 H new ATOM 0 HA LYS A 48 -1.105 3.472 -3.000 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -0.727 6.496 -3.122 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -2.159 5.671 -2.539 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -0.946 4.745 -0.648 1.00 10.00 H new ATOM 0 HG3 LYS A 48 0.586 5.314 -1.282 1.00 10.00 H new ATOM 0 HD2 LYS A 48 -0.098 6.846 0.450 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -0.255 7.679 -1.083 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -2.692 7.139 -1.116 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -2.527 6.334 0.432 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -3.314 8.731 0.428 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -2.074 8.332 1.517 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -1.708 9.158 0.079 1.00 10.00 H new ATOM 494 N GLU A 49 -0.752 5.255 -5.745 1.00 10.00 N ATOM 495 CA GLU A 49 -1.310 5.448 -7.081 1.00 10.00 C ATOM 496 C GLU A 49 -1.208 4.177 -7.926 1.00 10.00 C ATOM 497 O GLU A 49 -2.120 3.868 -8.694 1.00 10.00 O ATOM 498 CB GLU A 49 -0.639 6.632 -7.791 1.00 10.00 C ATOM 499 CG GLU A 49 0.701 6.311 -8.424 1.00 10.00 C ATOM 500 CD GLU A 49 1.355 7.526 -9.041 1.00 10.00 C ATOM 501 OE1 GLU A 49 1.285 7.676 -10.280 1.00 10.00 O ATOM 502 OE2 GLU A 49 1.934 8.338 -8.294 1.00 10.00 O ATOM 0 H GLU A 49 0.125 5.747 -5.574 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.369 5.677 -6.961 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -1.312 7.004 -8.564 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.502 7.440 -7.072 1.00 10.00 H new ATOM 0 HG2 GLU A 49 1.364 5.889 -7.669 1.00 10.00 H new ATOM 0 HG3 GLU A 49 0.564 5.548 -9.190 1.00 10.00 H new ATOM 509 N SER A 50 -0.117 3.432 -7.768 1.00 10.00 N ATOM 510 CA SER A 50 0.081 2.204 -8.529 1.00 10.00 C ATOM 511 C SER A 50 -0.950 1.153 -8.133 1.00 10.00 C ATOM 512 O SER A 50 -1.445 0.406 -8.978 1.00 10.00 O ATOM 513 CB SER A 50 1.500 1.671 -8.324 1.00 10.00 C ATOM 514 OG SER A 50 2.462 2.613 -8.772 1.00 10.00 O ATOM 0 H SER A 50 0.640 3.657 -7.122 1.00 10.00 H new ATOM 0 HA SER A 50 -0.053 2.430 -9.587 1.00 10.00 H new ATOM 0 HB2 SER A 50 1.662 1.453 -7.268 1.00 10.00 H new ATOM 0 HB3 SER A 50 1.623 0.733 -8.866 1.00 10.00 H new ATOM 0 HG SER A 50 2.464 3.388 -8.173 1.00 10.00 H new ATOM 520 N TYR A 51 -1.284 1.110 -6.848 1.00 10.00 N ATOM 521 CA TYR A 51 -2.271 0.161 -6.357 1.00 10.00 C ATOM 522 C TYR A 51 -3.625 0.456 -6.988 1.00 10.00 C ATOM 523 O TYR A 51 -4.344 -0.452 -7.402 1.00 10.00 O ATOM 524 CB TYR A 51 -2.370 0.227 -4.829 1.00 10.00 C ATOM 525 CG TYR A 51 -3.332 -0.779 -4.232 1.00 10.00 C ATOM 526 CD1 TYR A 51 -3.011 -2.130 -4.175 1.00 10.00 C ATOM 527 CD2 TYR A 51 -4.560 -0.377 -3.728 1.00 10.00 C ATOM 528 CE1 TYR A 51 -3.889 -3.052 -3.633 1.00 10.00 C ATOM 529 CE2 TYR A 51 -5.443 -1.289 -3.183 1.00 10.00 C ATOM 530 CZ TYR A 51 -5.103 -2.624 -3.139 1.00 10.00 C ATOM 531 OH TYR A 51 -5.982 -3.536 -2.602 1.00 10.00 O ATOM 0 H TYR A 51 -0.887 1.719 -6.132 1.00 10.00 H new ATOM 0 HA TYR A 51 -1.959 -0.846 -6.634 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -1.380 0.065 -4.403 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -2.682 1.230 -4.538 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -2.060 -2.466 -4.560 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -4.831 0.668 -3.762 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -3.625 -4.099 -3.597 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -6.394 -0.958 -2.794 1.00 10.00 H new ATOM 0 HH TYR A 51 -6.790 -3.072 -2.298 1.00 10.00 H new ATOM 541 N CYS A 52 -3.947 1.741 -7.083 1.00 10.00 N ATOM 542 CA CYS A 52 -5.207 2.174 -7.670 1.00 10.00 C ATOM 543 C CYS A 52 -5.283 1.775 -9.141 1.00 10.00 C ATOM 544 O CYS A 52 -6.328 1.338 -9.621 1.00 10.00 O ATOM 545 CB CYS A 52 -5.364 3.691 -7.527 1.00 10.00 C ATOM 546 SG CYS A 52 -5.263 4.289 -5.823 1.00 10.00 S ATOM 0 H CYS A 52 -3.350 2.502 -6.760 1.00 10.00 H new ATOM 0 HA CYS A 52 -6.020 1.682 -7.137 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -4.592 4.182 -8.119 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -6.325 3.987 -7.948 1.00 10.00 H new ATOM 0 HG CYS A 52 -4.017 4.357 -5.460 1.00 10.00 H new ATOM 552 N GLN A 53 -4.161 1.908 -9.844 1.00 10.00 N ATOM 553 CA GLN A 53 -4.096 1.559 -11.262 1.00 10.00 C ATOM 554 C GLN A 53 -4.361 0.073 -11.466 1.00 10.00 C ATOM 555 O GLN A 53 -5.028 -0.327 -12.420 1.00 10.00 O ATOM 556 CB GLN A 53 -2.725 1.918 -11.838 1.00 10.00 C ATOM 557 CG GLN A 53 -2.415 3.403 -11.795 1.00 10.00 C ATOM 558 CD GLN A 53 -0.977 3.709 -12.163 1.00 10.00 C ATOM 559 OE1 GLN A 53 -0.078 2.891 -11.954 1.00 10.00 O ATOM 560 NE2 GLN A 53 -0.749 4.889 -12.713 1.00 10.00 N ATOM 0 H GLN A 53 -3.284 2.255 -9.455 1.00 10.00 H new ATOM 0 HA GLN A 53 -4.865 2.129 -11.784 1.00 10.00 H new ATOM 0 HB2 GLN A 53 -1.956 1.379 -11.285 1.00 10.00 H new ATOM 0 HB3 GLN A 53 -2.674 1.575 -12.871 1.00 10.00 H new ATOM 0 HG2 GLN A 53 -3.081 3.929 -12.479 1.00 10.00 H new ATOM 0 HG3 GLN A 53 -2.619 3.784 -10.794 1.00 10.00 H new ATOM 0 HE21 GLN A 53 -1.521 5.537 -12.869 1.00 10.00 H new ATOM 0 HE22 GLN A 53 0.199 5.152 -12.982 1.00 10.00 H new ATOM 569 N ARG A 54 -3.838 -0.740 -10.560 1.00 10.00 N ATOM 570 CA ARG A 54 -4.016 -2.182 -10.638 1.00 10.00 C ATOM 571 C ARG A 54 -5.452 -2.575 -10.299 1.00 10.00 C ATOM 572 O ARG A 54 -6.010 -3.499 -10.893 1.00 10.00 O ATOM 573 CB ARG A 54 -3.035 -2.889 -9.700 1.00 10.00 C ATOM 574 CG ARG A 54 -3.217 -4.395 -9.652 1.00 10.00 C ATOM 575 CD ARG A 54 -1.890 -5.114 -9.510 1.00 10.00 C ATOM 576 NE ARG A 54 -2.065 -6.510 -9.121 1.00 10.00 N ATOM 577 CZ ARG A 54 -1.162 -7.459 -9.338 1.00 10.00 C ATOM 578 NH1 ARG A 54 -0.012 -7.168 -9.940 1.00 10.00 N ATOM 579 NH2 ARG A 54 -1.402 -8.701 -8.945 1.00 10.00 N ATOM 0 H ARG A 54 -3.287 -0.425 -9.762 1.00 10.00 H new ATOM 0 HA ARG A 54 -3.812 -2.495 -11.662 1.00 10.00 H new ATOM 0 HB2 ARG A 54 -2.017 -2.665 -10.017 1.00 10.00 H new ATOM 0 HB3 ARG A 54 -3.152 -2.485 -8.694 1.00 10.00 H new ATOM 0 HG2 ARG A 54 -3.865 -4.657 -8.815 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -3.718 -4.731 -10.560 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -1.348 -5.066 -10.455 1.00 10.00 H new ATOM 0 HD3 ARG A 54 -1.279 -4.604 -8.766 1.00 10.00 H new ATOM 0 HE ARG A 54 -2.933 -6.772 -8.654 1.00 10.00 H new ATOM 0 HH11 ARG A 54 0.180 -6.211 -10.238 1.00 10.00 H new ATOM 0 HH12 ARG A 54 0.678 -7.901 -10.104 1.00 10.00 H new ATOM 0 HH21 ARG A 54 -2.279 -8.927 -8.477 1.00 10.00 H new ATOM 0 HH22 ARG A 54 -0.709 -9.431 -9.111 1.00 10.00 H new ATOM 593 N GLN A 55 -6.054 -1.863 -9.356 1.00 10.00 N ATOM 594 CA GLN A 55 -7.425 -2.150 -8.946 1.00 10.00 C ATOM 595 C GLN A 55 -8.435 -1.582 -9.943 1.00 10.00 C ATOM 596 O GLN A 55 -9.599 -1.980 -9.955 1.00 10.00 O ATOM 597 CB GLN A 55 -7.696 -1.593 -7.545 1.00 10.00 C ATOM 598 CG GLN A 55 -6.786 -2.166 -6.469 1.00 10.00 C ATOM 599 CD GLN A 55 -6.787 -3.683 -6.442 1.00 10.00 C ATOM 600 OE1 GLN A 55 -5.971 -4.332 -7.099 1.00 10.00 O ATOM 601 NE2 GLN A 55 -7.695 -4.260 -5.675 1.00 10.00 N ATOM 0 H GLN A 55 -5.618 -1.085 -8.861 1.00 10.00 H new ATOM 0 HA GLN A 55 -7.543 -3.233 -8.924 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -7.580 -0.509 -7.566 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -8.733 -1.797 -7.277 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -5.769 -1.811 -6.634 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -7.101 -1.790 -5.496 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -8.354 -3.688 -5.146 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -7.737 -5.277 -5.612 1.00 10.00 H new ATOM 610 N GLY A 56 -7.981 -0.656 -10.776 1.00 10.00 N ATOM 611 CA GLY A 56 -8.849 -0.058 -11.770 1.00 10.00 C ATOM 612 C GLY A 56 -9.651 1.101 -11.217 1.00 10.00 C ATOM 613 O GLY A 56 -10.808 1.301 -11.590 1.00 10.00 O ATOM 0 H GLY A 56 -7.023 -0.307 -10.781 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.248 0.288 -12.611 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.531 -0.816 -12.156 1.00 10.00 H new ATOM 617 N VAL A 57 -9.035 1.868 -10.331 1.00 10.00 N ATOM 618 CA VAL A 57 -9.691 3.016 -9.716 1.00 10.00 C ATOM 619 C VAL A 57 -8.751 4.218 -9.683 1.00 10.00 C ATOM 620 O VAL A 57 -7.531 4.059 -9.750 1.00 10.00 O ATOM 621 CB VAL A 57 -10.164 2.704 -8.276 1.00 10.00 C ATOM 622 CG1 VAL A 57 -11.388 1.801 -8.288 1.00 10.00 C ATOM 623 CG2 VAL A 57 -9.042 2.072 -7.467 1.00 10.00 C ATOM 0 H VAL A 57 -8.076 1.716 -10.019 1.00 10.00 H new ATOM 0 HA VAL A 57 -10.564 3.247 -10.326 1.00 10.00 H new ATOM 0 HB VAL A 57 -10.442 3.645 -7.802 1.00 10.00 H new ATOM 0 HG11 VAL A 57 -11.700 1.597 -7.264 1.00 10.00 H new ATOM 0 HG12 VAL A 57 -12.199 2.295 -8.823 1.00 10.00 H new ATOM 0 HG13 VAL A 57 -11.143 0.863 -8.786 1.00 10.00 H new ATOM 0 HG21 VAL A 57 -9.396 1.861 -6.458 1.00 10.00 H new ATOM 0 HG22 VAL A 57 -8.728 1.143 -7.944 1.00 10.00 H new ATOM 0 HG23 VAL A 57 -8.197 2.759 -7.419 1.00 10.00 H new ATOM 633 N PRO A 58 -9.304 5.440 -9.619 1.00 10.00 N ATOM 634 CA PRO A 58 -8.502 6.666 -9.552 1.00 10.00 C ATOM 635 C PRO A 58 -7.791 6.807 -8.205 1.00 10.00 C ATOM 636 O PRO A 58 -8.189 6.189 -7.220 1.00 10.00 O ATOM 637 CB PRO A 58 -9.538 7.778 -9.730 1.00 10.00 C ATOM 638 CG PRO A 58 -10.822 7.182 -9.271 1.00 10.00 C ATOM 639 CD PRO A 58 -10.751 5.725 -9.636 1.00 10.00 C ATOM 0 HA PRO A 58 -7.711 6.684 -10.301 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -9.278 8.658 -9.142 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -9.600 8.097 -10.770 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -10.950 7.310 -8.196 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -11.672 7.665 -9.753 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.291 5.105 -8.921 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -11.187 5.534 -10.617 1.00 10.00 H new ATOM 647 N MET A 59 -6.749 7.622 -8.157 1.00 10.00 N ATOM 648 CA MET A 59 -6.002 7.824 -6.921 1.00 10.00 C ATOM 649 C MET A 59 -6.829 8.629 -5.914 1.00 10.00 C ATOM 650 O MET A 59 -7.790 9.305 -6.292 1.00 10.00 O ATOM 651 CB MET A 59 -4.674 8.535 -7.204 1.00 10.00 C ATOM 652 CG MET A 59 -3.687 8.458 -6.050 1.00 10.00 C ATOM 653 SD MET A 59 -2.177 9.389 -6.355 1.00 10.00 S ATOM 654 CE MET A 59 -1.261 9.037 -4.855 1.00 10.00 C ATOM 0 H MET A 59 -6.401 8.153 -8.955 1.00 10.00 H new ATOM 0 HA MET A 59 -5.788 6.846 -6.490 1.00 10.00 H new ATOM 0 HB2 MET A 59 -4.218 8.096 -8.092 1.00 10.00 H new ATOM 0 HB3 MET A 59 -4.873 9.582 -7.432 1.00 10.00 H new ATOM 0 HG2 MET A 59 -4.164 8.835 -5.145 1.00 10.00 H new ATOM 0 HG3 MET A 59 -3.433 7.414 -5.865 1.00 10.00 H new ATOM 0 HE1 MET A 59 -0.432 9.738 -4.762 1.00 10.00 H new ATOM 0 HE2 MET A 59 -1.921 9.139 -3.993 1.00 10.00 H new ATOM 0 HE3 MET A 59 -0.873 8.019 -4.896 1.00 10.00 H new ATOM 664 N ASN A 60 -6.466 8.506 -4.632 1.00 10.00 N ATOM 665 CA ASN A 60 -7.130 9.212 -3.520 1.00 10.00 C ATOM 666 C ASN A 60 -8.466 8.567 -3.157 1.00 10.00 C ATOM 667 O ASN A 60 -9.032 8.851 -2.102 1.00 10.00 O ATOM 668 CB ASN A 60 -7.325 10.707 -3.830 1.00 10.00 C ATOM 669 CG ASN A 60 -7.772 11.504 -2.614 1.00 10.00 C ATOM 670 OD1 ASN A 60 -6.980 11.779 -1.715 1.00 10.00 O ATOM 671 ND2 ASN A 60 -9.044 11.882 -2.577 1.00 10.00 N ATOM 0 H ASN A 60 -5.696 7.909 -4.330 1.00 10.00 H new ATOM 0 HA ASN A 60 -6.468 9.128 -2.658 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -6.390 11.121 -4.207 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -8.065 10.816 -4.623 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -9.393 12.419 -1.784 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -9.672 11.635 -3.342 1.00 10.00 H new ATOM 678 N SER A 61 -8.955 7.681 -4.013 1.00 10.00 N ATOM 679 CA SER A 61 -10.225 7.015 -3.770 1.00 10.00 C ATOM 680 C SER A 61 -10.098 6.003 -2.638 1.00 10.00 C ATOM 681 O SER A 61 -11.046 5.770 -1.891 1.00 10.00 O ATOM 682 CB SER A 61 -10.710 6.318 -5.042 1.00 10.00 C ATOM 683 OG SER A 61 -9.827 5.280 -5.432 1.00 10.00 O ATOM 0 H SER A 61 -8.492 7.408 -4.880 1.00 10.00 H new ATOM 0 HA SER A 61 -10.955 7.770 -3.478 1.00 10.00 H new ATOM 0 HB2 SER A 61 -11.706 5.907 -4.876 1.00 10.00 H new ATOM 0 HB3 SER A 61 -10.796 7.047 -5.848 1.00 10.00 H new ATOM 0 HG SER A 61 -9.348 5.546 -6.245 1.00 10.00 H new ATOM 689 N LEU A 62 -8.920 5.410 -2.516 1.00 10.00 N ATOM 690 CA LEU A 62 -8.668 4.417 -1.487 1.00 10.00 C ATOM 691 C LEU A 62 -7.752 4.974 -0.406 1.00 10.00 C ATOM 692 O LEU A 62 -6.823 5.737 -0.689 1.00 10.00 O ATOM 693 CB LEU A 62 -8.040 3.164 -2.104 1.00 10.00 C ATOM 694 CG LEU A 62 -8.797 2.563 -3.291 1.00 10.00 C ATOM 695 CD1 LEU A 62 -7.988 1.436 -3.913 1.00 10.00 C ATOM 696 CD2 LEU A 62 -10.166 2.057 -2.860 1.00 10.00 C ATOM 0 H LEU A 62 -8.121 5.602 -3.121 1.00 10.00 H new ATOM 0 HA LEU A 62 -9.622 4.154 -1.030 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -7.028 3.408 -2.427 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -7.953 2.403 -1.328 1.00 10.00 H new ATOM 0 HG LEU A 62 -8.943 3.345 -4.036 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -8.537 1.017 -4.756 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -7.030 1.824 -4.260 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -7.816 0.658 -3.169 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -10.685 1.634 -3.720 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -10.046 1.289 -2.096 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -10.749 2.884 -2.455 1.00 10.00 H new ATOM 708 N ARG A 63 -8.028 4.596 0.831 1.00 10.00 N ATOM 709 CA ARG A 63 -7.228 5.027 1.962 1.00 10.00 C ATOM 710 C ARG A 63 -6.471 3.837 2.536 1.00 10.00 C ATOM 711 O ARG A 63 -7.027 2.748 2.695 1.00 10.00 O ATOM 712 CB ARG A 63 -8.096 5.673 3.046 1.00 10.00 C ATOM 713 CG ARG A 63 -9.167 4.753 3.609 1.00 10.00 C ATOM 714 CD ARG A 63 -9.634 5.212 4.979 1.00 10.00 C ATOM 715 NE ARG A 63 -10.580 4.275 5.587 1.00 10.00 N ATOM 716 CZ ARG A 63 -11.905 4.416 5.534 1.00 10.00 C ATOM 717 NH1 ARG A 63 -12.445 5.456 4.907 1.00 10.00 N ATOM 718 NH2 ARG A 63 -12.694 3.529 6.131 1.00 10.00 N ATOM 0 H ARG A 63 -8.808 3.986 1.077 1.00 10.00 H new ATOM 0 HA ARG A 63 -6.518 5.777 1.613 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -7.453 6.007 3.861 1.00 10.00 H new ATOM 0 HB3 ARG A 63 -8.575 6.561 2.633 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -10.016 4.721 2.926 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -8.776 3.738 3.678 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -8.771 5.329 5.634 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -10.103 6.192 4.891 1.00 10.00 H new ATOM 0 HE ARG A 63 -10.203 3.466 6.081 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -11.845 6.151 4.463 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -13.459 5.559 4.870 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -12.286 2.739 6.631 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -13.707 3.638 6.089 1.00 10.00 H new ATOM 732 N PHE A 64 -5.208 4.047 2.840 1.00 10.00 N ATOM 733 CA PHE A 64 -4.372 2.998 3.391 1.00 10.00 C ATOM 734 C PHE A 64 -4.164 3.237 4.877 1.00 10.00 C ATOM 735 O PHE A 64 -3.637 4.275 5.279 1.00 10.00 O ATOM 736 CB PHE A 64 -3.026 2.951 2.664 1.00 10.00 C ATOM 737 CG PHE A 64 -3.148 2.706 1.185 1.00 10.00 C ATOM 738 CD1 PHE A 64 -3.487 3.737 0.322 1.00 10.00 C ATOM 739 CD2 PHE A 64 -2.921 1.447 0.657 1.00 10.00 C ATOM 740 CE1 PHE A 64 -3.601 3.516 -1.036 1.00 10.00 C ATOM 741 CE2 PHE A 64 -3.033 1.221 -0.702 1.00 10.00 C ATOM 742 CZ PHE A 64 -3.373 2.257 -1.549 1.00 10.00 C ATOM 0 H PHE A 64 -4.733 4.941 2.714 1.00 10.00 H new ATOM 0 HA PHE A 64 -4.869 2.038 3.252 1.00 10.00 H new ATOM 0 HB2 PHE A 64 -2.502 3.893 2.826 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -2.412 2.165 3.104 1.00 10.00 H new ATOM 0 HD1 PHE A 64 -3.664 4.726 0.717 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -2.654 0.632 1.314 1.00 10.00 H new ATOM 0 HE1 PHE A 64 -3.868 4.328 -1.695 1.00 10.00 H new ATOM 0 HE2 PHE A 64 -2.854 0.234 -1.101 1.00 10.00 H new ATOM 0 HZ PHE A 64 -3.460 2.081 -2.611 1.00 10.00 H new ATOM 752 N LEU A 65 -4.599 2.289 5.687 1.00 10.00 N ATOM 753 CA LEU A 65 -4.469 2.402 7.127 1.00 10.00 C ATOM 754 C LEU A 65 -3.408 1.448 7.646 1.00 10.00 C ATOM 755 O LEU A 65 -3.399 0.259 7.309 1.00 10.00 O ATOM 756 CB LEU A 65 -5.808 2.121 7.814 1.00 10.00 C ATOM 757 CG LEU A 65 -6.887 3.187 7.606 1.00 10.00 C ATOM 758 CD1 LEU A 65 -8.210 2.722 8.185 1.00 10.00 C ATOM 759 CD2 LEU A 65 -6.471 4.504 8.239 1.00 10.00 C ATOM 0 H LEU A 65 -5.047 1.429 5.370 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.165 3.423 7.359 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -6.190 1.166 7.453 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -5.632 2.010 8.884 1.00 10.00 H new ATOM 0 HG LEU A 65 -7.009 3.343 6.534 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -8.966 3.491 8.029 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -8.521 1.802 7.690 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -8.095 2.538 9.253 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -7.252 5.247 8.079 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -6.319 4.361 9.309 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -5.543 4.849 7.784 1.00 10.00 H new ATOM 771 N PHE A 66 -2.511 1.986 8.451 1.00 10.00 N ATOM 772 CA PHE A 66 -1.439 1.217 9.045 1.00 10.00 C ATOM 773 C PHE A 66 -1.387 1.511 10.536 1.00 10.00 C ATOM 774 O PHE A 66 -0.978 2.600 10.948 1.00 10.00 O ATOM 775 CB PHE A 66 -0.103 1.562 8.383 1.00 10.00 C ATOM 776 CG PHE A 66 0.904 0.450 8.448 1.00 10.00 C ATOM 777 CD1 PHE A 66 0.960 -0.507 7.448 1.00 10.00 C ATOM 778 CD2 PHE A 66 1.796 0.361 9.508 1.00 10.00 C ATOM 779 CE1 PHE A 66 1.886 -1.531 7.501 1.00 10.00 C ATOM 780 CE2 PHE A 66 2.722 -0.661 9.566 1.00 10.00 C ATOM 781 CZ PHE A 66 2.766 -1.608 8.561 1.00 10.00 C ATOM 0 H PHE A 66 -2.507 2.972 8.711 1.00 10.00 H new ATOM 0 HA PHE A 66 -1.625 0.154 8.891 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -0.280 1.820 7.339 1.00 10.00 H new ATOM 0 HB3 PHE A 66 0.314 2.447 8.864 1.00 10.00 H new ATOM 0 HD1 PHE A 66 0.272 -0.452 6.617 1.00 10.00 H new ATOM 0 HD2 PHE A 66 1.765 1.099 10.296 1.00 10.00 H new ATOM 0 HE1 PHE A 66 1.921 -2.270 6.714 1.00 10.00 H new ATOM 0 HE2 PHE A 66 3.411 -0.720 10.396 1.00 10.00 H new ATOM 0 HZ PHE A 66 3.489 -2.409 8.605 1.00 10.00 H new ATOM 791 N GLU A 67 -1.840 0.548 11.332 1.00 10.00 N ATOM 792 CA GLU A 67 -1.863 0.676 12.786 1.00 10.00 C ATOM 793 C GLU A 67 -2.795 1.805 13.219 1.00 10.00 C ATOM 794 O GLU A 67 -2.547 2.484 14.214 1.00 10.00 O ATOM 795 CB GLU A 67 -0.450 0.906 13.337 1.00 10.00 C ATOM 796 CG GLU A 67 0.382 -0.360 13.409 1.00 10.00 C ATOM 797 CD GLU A 67 -0.165 -1.350 14.415 1.00 10.00 C ATOM 798 OE1 GLU A 67 -1.072 -2.128 14.056 1.00 10.00 O ATOM 799 OE2 GLU A 67 0.305 -1.352 15.573 1.00 10.00 O ATOM 0 H GLU A 67 -2.201 -0.342 10.989 1.00 10.00 H new ATOM 0 HA GLU A 67 -2.244 -0.259 13.198 1.00 10.00 H new ATOM 0 HB2 GLU A 67 0.063 1.634 12.708 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -0.523 1.341 14.334 1.00 10.00 H new ATOM 0 HG2 GLU A 67 0.415 -0.827 12.425 1.00 10.00 H new ATOM 0 HG3 GLU A 67 1.407 -0.104 13.675 1.00 10.00 H new ATOM 806 N GLY A 68 -3.865 2.004 12.464 1.00 10.00 N ATOM 807 CA GLY A 68 -4.818 3.045 12.793 1.00 10.00 C ATOM 808 C GLY A 68 -4.534 4.349 12.075 1.00 10.00 C ATOM 809 O GLY A 68 -5.453 5.110 11.775 1.00 10.00 O ATOM 0 H GLY A 68 -4.091 1.463 11.629 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -5.822 2.706 12.538 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -4.804 3.217 13.869 1.00 10.00 H new ATOM 813 N GLN A 69 -3.264 4.613 11.800 1.00 10.00 N ATOM 814 CA GLN A 69 -2.872 5.835 11.113 1.00 10.00 C ATOM 815 C GLN A 69 -3.028 5.670 9.611 1.00 10.00 C ATOM 816 O GLN A 69 -2.821 4.583 9.075 1.00 10.00 O ATOM 817 CB GLN A 69 -1.425 6.200 11.440 1.00 10.00 C ATOM 818 CG GLN A 69 -1.221 6.691 12.863 1.00 10.00 C ATOM 819 CD GLN A 69 0.169 7.253 13.088 1.00 10.00 C ATOM 820 OE1 GLN A 69 1.137 6.825 12.460 1.00 10.00 O ATOM 821 NE2 GLN A 69 0.278 8.225 13.977 1.00 10.00 N ATOM 0 H GLN A 69 -2.488 3.997 12.042 1.00 10.00 H new ATOM 0 HA GLN A 69 -3.524 6.639 11.456 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -0.794 5.327 11.273 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -1.090 6.973 10.748 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -1.961 7.459 13.089 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -1.394 5.868 13.556 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -0.548 8.553 14.478 1.00 10.00 H new ATOM 0 HE22 GLN A 69 1.188 8.647 14.162 1.00 10.00 H new ATOM 830 N ARG A 70 -3.402 6.743 8.934 1.00 10.00 N ATOM 831 CA ARG A 70 -3.572 6.695 7.491 1.00 10.00 C ATOM 832 C ARG A 70 -2.283 7.109 6.796 1.00 10.00 C ATOM 833 O ARG A 70 -1.618 8.065 7.203 1.00 10.00 O ATOM 834 CB ARG A 70 -4.747 7.568 7.032 1.00 10.00 C ATOM 835 CG ARG A 70 -4.772 8.959 7.640 1.00 10.00 C ATOM 836 CD ARG A 70 -5.957 9.762 7.126 1.00 10.00 C ATOM 837 NE ARG A 70 -5.878 9.984 5.682 1.00 10.00 N ATOM 838 CZ ARG A 70 -6.854 9.689 4.821 1.00 10.00 C ATOM 839 NH1 ARG A 70 -7.994 9.156 5.245 1.00 10.00 N ATOM 840 NH2 ARG A 70 -6.680 9.923 3.526 1.00 10.00 N ATOM 0 H ARG A 70 -3.593 7.652 9.356 1.00 10.00 H new ATOM 0 HA ARG A 70 -3.805 5.667 7.213 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -4.713 7.660 5.946 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -5.679 7.060 7.279 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -4.824 8.883 8.726 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -3.845 9.480 7.401 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -6.882 9.237 7.363 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -5.995 10.723 7.640 1.00 10.00 H new ATOM 0 HE ARG A 70 -5.020 10.391 5.309 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -8.131 8.968 6.238 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -8.733 8.935 4.578 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -5.804 10.326 3.194 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -7.422 9.700 2.863 1.00 10.00 H new ATOM 854 N ILE A 71 -1.932 6.368 5.758 1.00 10.00 N ATOM 855 CA ILE A 71 -0.719 6.625 5.000 1.00 10.00 C ATOM 856 C ILE A 71 -0.853 7.881 4.145 1.00 10.00 C ATOM 857 O ILE A 71 -1.791 8.018 3.349 1.00 10.00 O ATOM 858 CB ILE A 71 -0.365 5.423 4.096 1.00 10.00 C ATOM 859 CG1 ILE A 71 -0.211 4.153 4.939 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.908 5.694 3.305 1.00 10.00 C ATOM 861 CD1 ILE A 71 0.857 4.254 6.010 1.00 10.00 C ATOM 0 H ILE A 71 -2.477 5.575 5.418 1.00 10.00 H new ATOM 0 HA ILE A 71 0.083 6.777 5.722 1.00 10.00 H new ATOM 0 HB ILE A 71 -1.180 5.277 3.387 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.166 3.924 5.412 1.00 10.00 H new ATOM 0 HG13 ILE A 71 0.026 3.318 4.280 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.136 4.833 2.676 1.00 10.00 H new ATOM 0 HG22 ILE A 71 0.766 6.574 2.678 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.734 5.869 3.994 1.00 10.00 H new ATOM 0 HD11 ILE A 71 0.906 3.317 6.564 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.822 4.451 5.544 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.611 5.067 6.693 1.00 10.00 H new ATOM 873 N ALA A 72 0.087 8.793 4.322 1.00 10.00 N ATOM 874 CA ALA A 72 0.102 10.036 3.575 1.00 10.00 C ATOM 875 C ALA A 72 0.795 9.826 2.238 1.00 10.00 C ATOM 876 O ALA A 72 1.430 8.796 2.017 1.00 10.00 O ATOM 877 CB ALA A 72 0.799 11.125 4.374 1.00 10.00 C ATOM 0 H ALA A 72 0.857 8.693 4.984 1.00 10.00 H new ATOM 0 HA ALA A 72 -0.925 10.353 3.392 1.00 10.00 H new ATOM 0 HB1 ALA A 72 0.802 12.052 3.800 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.270 11.282 5.314 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.826 10.823 4.582 1.00 10.00 H new ATOM 883 N ASP A 73 0.678 10.797 1.351 1.00 10.00 N ATOM 884 CA ASP A 73 1.295 10.695 0.034 1.00 10.00 C ATOM 885 C ASP A 73 2.797 10.904 0.127 1.00 10.00 C ATOM 886 O ASP A 73 3.562 10.333 -0.643 1.00 10.00 O ATOM 887 CB ASP A 73 0.678 11.708 -0.933 1.00 10.00 C ATOM 888 CG ASP A 73 -0.587 11.187 -1.582 1.00 10.00 C ATOM 889 OD1 ASP A 73 -1.341 10.446 -0.916 1.00 10.00 O ATOM 890 OD2 ASP A 73 -0.842 11.524 -2.756 1.00 10.00 O ATOM 0 H ASP A 73 0.165 11.663 1.514 1.00 10.00 H new ATOM 0 HA ASP A 73 1.108 9.692 -0.350 1.00 10.00 H new ATOM 0 HB2 ASP A 73 0.455 12.630 -0.396 1.00 10.00 H new ATOM 0 HB3 ASP A 73 1.404 11.957 -1.707 1.00 10.00 H new ATOM 895 N ASN A 74 3.218 11.704 1.091 1.00 10.00 N ATOM 896 CA ASN A 74 4.635 11.984 1.285 1.00 10.00 C ATOM 897 C ASN A 74 5.195 11.166 2.445 1.00 10.00 C ATOM 898 O ASN A 74 6.065 11.626 3.178 1.00 10.00 O ATOM 899 CB ASN A 74 4.867 13.482 1.529 1.00 10.00 C ATOM 900 CG ASN A 74 4.275 13.979 2.841 1.00 10.00 C ATOM 901 OD1 ASN A 74 3.162 13.607 3.224 1.00 10.00 O ATOM 902 ND2 ASN A 74 5.024 14.816 3.544 1.00 10.00 N ATOM 0 H ASN A 74 2.600 12.173 1.754 1.00 10.00 H new ATOM 0 HA ASN A 74 5.161 11.697 0.374 1.00 10.00 H new ATOM 0 HB2 ASN A 74 5.938 13.682 1.523 1.00 10.00 H new ATOM 0 HB3 ASN A 74 4.433 14.048 0.705 1.00 10.00 H new ATOM 0 HD21 ASN A 74 4.686 15.177 4.436 1.00 10.00 H new ATOM 0 HD22 ASN A 74 5.939 15.100 3.193 1.00 10.00 H new ATOM 909 N HIS A 75 4.701 9.948 2.604 1.00 10.00 N ATOM 910 CA HIS A 75 5.160 9.074 3.676 1.00 10.00 C ATOM 911 C HIS A 75 6.365 8.253 3.229 1.00 10.00 C ATOM 912 O HIS A 75 6.583 8.051 2.036 1.00 10.00 O ATOM 913 CB HIS A 75 4.033 8.144 4.127 1.00 10.00 C ATOM 914 CG HIS A 75 3.396 8.547 5.423 1.00 10.00 C ATOM 915 ND1 HIS A 75 2.353 7.829 5.957 1.00 10.00 N ATOM 916 CD2 HIS A 75 3.691 9.579 6.252 1.00 10.00 C ATOM 917 CE1 HIS A 75 2.038 8.431 7.089 1.00 10.00 C ATOM 918 NE2 HIS A 75 2.820 9.495 7.307 1.00 10.00 N ATOM 0 H HIS A 75 3.982 9.541 2.005 1.00 10.00 H new ATOM 0 HA HIS A 75 5.460 9.700 4.516 1.00 10.00 H new ATOM 0 HB2 HIS A 75 3.268 8.113 3.351 1.00 10.00 H new ATOM 0 HB3 HIS A 75 4.427 7.133 4.226 1.00 10.00 H new ATOM 0 HD2 HIS A 75 4.462 10.322 6.109 1.00 10.00 H new ATOM 0 HE1 HIS A 75 1.251 8.107 7.753 1.00 10.00 H new ATOM 0 HE2 HIS A 75 2.776 10.125 8.108 1.00 10.00 H new ATOM 926 N THR A 76 7.147 7.794 4.192 1.00 10.00 N ATOM 927 CA THR A 76 8.326 6.991 3.908 1.00 10.00 C ATOM 928 C THR A 76 8.167 5.590 4.501 1.00 10.00 C ATOM 929 O THR A 76 7.703 5.449 5.631 1.00 10.00 O ATOM 930 CB THR A 76 9.589 7.658 4.490 1.00 10.00 C ATOM 931 OG1 THR A 76 9.331 9.047 4.740 1.00 10.00 O ATOM 932 CG2 THR A 76 10.765 7.526 3.531 1.00 10.00 C ATOM 0 H THR A 76 6.985 7.965 5.184 1.00 10.00 H new ATOM 0 HA THR A 76 8.434 6.914 2.826 1.00 10.00 H new ATOM 0 HB THR A 76 9.843 7.155 5.423 1.00 10.00 H new ATOM 0 HG1 THR A 76 8.849 9.143 5.588 1.00 10.00 H new ATOM 0 HG21 THR A 76 11.643 8.004 3.964 1.00 10.00 H new ATOM 0 HG22 THR A 76 10.975 6.471 3.356 1.00 10.00 H new ATOM 0 HG23 THR A 76 10.519 8.008 2.585 1.00 10.00 H new ATOM 940 N PRO A 77 8.541 4.534 3.754 1.00 10.00 N ATOM 941 CA PRO A 77 8.430 3.142 4.228 1.00 10.00 C ATOM 942 C PRO A 77 9.291 2.849 5.460 1.00 10.00 C ATOM 943 O PRO A 77 9.155 1.796 6.086 1.00 10.00 O ATOM 944 CB PRO A 77 8.921 2.310 3.033 1.00 10.00 C ATOM 945 CG PRO A 77 8.830 3.218 1.856 1.00 10.00 C ATOM 946 CD PRO A 77 9.077 4.600 2.381 1.00 10.00 C ATOM 0 HA PRO A 77 7.411 2.917 4.542 1.00 10.00 H new ATOM 0 HB2 PRO A 77 9.944 1.967 3.187 1.00 10.00 H new ATOM 0 HB3 PRO A 77 8.305 1.422 2.893 1.00 10.00 H new ATOM 0 HG2 PRO A 77 9.567 2.951 1.099 1.00 10.00 H new ATOM 0 HG3 PRO A 77 7.850 3.149 1.385 1.00 10.00 H new ATOM 0 HD2 PRO A 77 10.138 4.851 2.373 1.00 10.00 H new ATOM 0 HD3 PRO A 77 8.566 5.356 1.784 1.00 10.00 H new ATOM 954 N LYS A 78 10.183 3.774 5.799 1.00 10.00 N ATOM 955 CA LYS A 78 11.055 3.605 6.954 1.00 10.00 C ATOM 956 C LYS A 78 10.403 4.158 8.219 1.00 10.00 C ATOM 957 O LYS A 78 10.707 3.721 9.331 1.00 10.00 O ATOM 958 CB LYS A 78 12.402 4.291 6.701 1.00 10.00 C ATOM 959 CG LYS A 78 13.456 4.029 7.774 1.00 10.00 C ATOM 960 CD LYS A 78 13.709 2.540 7.985 1.00 10.00 C ATOM 961 CE LYS A 78 14.250 1.875 6.728 1.00 10.00 C ATOM 962 NZ LYS A 78 14.441 0.411 6.909 1.00 10.00 N ATOM 0 H LYS A 78 10.320 4.647 5.290 1.00 10.00 H new ATOM 0 HA LYS A 78 11.224 2.539 7.103 1.00 10.00 H new ATOM 0 HB2 LYS A 78 12.790 3.958 5.739 1.00 10.00 H new ATOM 0 HB3 LYS A 78 12.239 5.366 6.624 1.00 10.00 H new ATOM 0 HG2 LYS A 78 14.389 4.517 7.491 1.00 10.00 H new ATOM 0 HG3 LYS A 78 13.134 4.477 8.714 1.00 10.00 H new ATOM 0 HD2 LYS A 78 14.418 2.404 8.802 1.00 10.00 H new ATOM 0 HD3 LYS A 78 12.781 2.052 8.284 1.00 10.00 H new ATOM 0 HE2 LYS A 78 13.563 2.051 5.900 1.00 10.00 H new ATOM 0 HE3 LYS A 78 15.201 2.334 6.456 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 14.811 -0.002 6.029 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 15.116 0.242 7.681 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 13.530 -0.032 7.143 1.00 10.00 H new ATOM 976 N GLU A 79 9.501 5.114 8.059 1.00 10.00 N ATOM 977 CA GLU A 79 8.826 5.699 9.206 1.00 10.00 C ATOM 978 C GLU A 79 7.596 4.870 9.564 1.00 10.00 C ATOM 979 O GLU A 79 7.239 3.947 8.829 1.00 10.00 O ATOM 980 CB GLU A 79 8.445 7.158 8.939 1.00 10.00 C ATOM 981 CG GLU A 79 7.334 7.337 7.919 1.00 10.00 C ATOM 982 CD GLU A 79 7.045 8.790 7.637 1.00 10.00 C ATOM 983 OE1 GLU A 79 6.492 9.469 8.522 1.00 10.00 O ATOM 984 OE2 GLU A 79 7.380 9.262 6.530 1.00 10.00 O ATOM 0 H GLU A 79 9.222 5.498 7.156 1.00 10.00 H new ATOM 0 HA GLU A 79 9.512 5.691 10.053 1.00 10.00 H new ATOM 0 HB2 GLU A 79 8.138 7.619 9.878 1.00 10.00 H new ATOM 0 HB3 GLU A 79 9.329 7.695 8.594 1.00 10.00 H new ATOM 0 HG2 GLU A 79 7.612 6.837 6.991 1.00 10.00 H new ATOM 0 HG3 GLU A 79 6.428 6.853 8.283 1.00 10.00 H new ATOM 991 N LEU A 80 6.978 5.194 10.703 1.00 10.00 N ATOM 992 CA LEU A 80 5.785 4.492 11.201 1.00 10.00 C ATOM 993 C LEU A 80 6.148 3.104 11.737 1.00 10.00 C ATOM 994 O LEU A 80 5.725 2.722 12.829 1.00 10.00 O ATOM 995 CB LEU A 80 4.702 4.391 10.115 1.00 10.00 C ATOM 996 CG LEU A 80 3.284 4.751 10.571 1.00 10.00 C ATOM 997 CD1 LEU A 80 2.366 4.917 9.371 1.00 10.00 C ATOM 998 CD2 LEU A 80 2.738 3.693 11.518 1.00 10.00 C ATOM 0 H LEU A 80 7.289 5.952 11.310 1.00 10.00 H new ATOM 0 HA LEU A 80 5.378 5.078 12.025 1.00 10.00 H new ATOM 0 HB2 LEU A 80 4.977 5.045 9.288 1.00 10.00 H new ATOM 0 HB3 LEU A 80 4.694 3.373 9.726 1.00 10.00 H new ATOM 0 HG LEU A 80 3.327 5.699 11.107 1.00 10.00 H new ATOM 0 HD11 LEU A 80 1.363 5.172 9.713 1.00 10.00 H new ATOM 0 HD12 LEU A 80 2.745 5.713 8.730 1.00 10.00 H new ATOM 0 HD13 LEU A 80 2.331 3.984 8.808 1.00 10.00 H new ATOM 0 HD21 LEU A 80 1.730 3.969 11.829 1.00 10.00 H new ATOM 0 HD22 LEU A 80 2.710 2.729 11.010 1.00 10.00 H new ATOM 0 HD23 LEU A 80 3.382 3.622 12.395 1.00 10.00 H new ATOM 1010 N GLY A 81 6.932 2.358 10.970 1.00 10.00 N ATOM 1011 CA GLY A 81 7.350 1.036 11.390 1.00 10.00 C ATOM 1012 C GLY A 81 6.800 -0.057 10.499 1.00 10.00 C ATOM 1013 O GLY A 81 5.906 -0.800 10.902 1.00 10.00 O ATOM 0 H GLY A 81 7.288 2.648 10.059 1.00 10.00 H new ATOM 0 HA2 GLY A 81 8.439 0.986 11.391 1.00 10.00 H new ATOM 0 HA3 GLY A 81 7.022 0.864 12.415 1.00 10.00 H new ATOM 1017 N MET A 82 7.328 -0.159 9.288 1.00 10.00 N ATOM 1018 CA MET A 82 6.881 -1.174 8.343 1.00 10.00 C ATOM 1019 C MET A 82 7.876 -2.325 8.272 1.00 10.00 C ATOM 1020 O MET A 82 9.055 -2.123 7.962 1.00 10.00 O ATOM 1021 CB MET A 82 6.693 -0.569 6.951 1.00 10.00 C ATOM 1022 CG MET A 82 5.453 0.297 6.815 1.00 10.00 C ATOM 1023 SD MET A 82 5.150 0.807 5.111 1.00 10.00 S ATOM 1024 CE MET A 82 3.589 1.667 5.297 1.00 10.00 C ATOM 0 H MET A 82 8.067 0.449 8.936 1.00 10.00 H new ATOM 0 HA MET A 82 5.924 -1.559 8.695 1.00 10.00 H new ATOM 0 HB2 MET A 82 7.570 0.030 6.705 1.00 10.00 H new ATOM 0 HB3 MET A 82 6.642 -1.376 6.220 1.00 10.00 H new ATOM 0 HG2 MET A 82 4.588 -0.252 7.186 1.00 10.00 H new ATOM 0 HG3 MET A 82 5.561 1.182 7.442 1.00 10.00 H new ATOM 0 HE1 MET A 82 3.264 2.045 4.328 1.00 10.00 H new ATOM 0 HE2 MET A 82 2.839 0.979 5.688 1.00 10.00 H new ATOM 0 HE3 MET A 82 3.713 2.501 5.988 1.00 10.00 H new ATOM 1034 N GLU A 83 7.401 -3.527 8.565 1.00 10.00 N ATOM 1035 CA GLU A 83 8.242 -4.715 8.534 1.00 10.00 C ATOM 1036 C GLU A 83 7.708 -5.732 7.530 1.00 10.00 C ATOM 1037 O GLU A 83 6.668 -5.518 6.910 1.00 10.00 O ATOM 1038 CB GLU A 83 8.317 -5.344 9.925 1.00 10.00 C ATOM 1039 CG GLU A 83 9.240 -4.603 10.878 1.00 10.00 C ATOM 1040 CD GLU A 83 10.700 -4.901 10.614 1.00 10.00 C ATOM 1041 OE1 GLU A 83 11.148 -6.020 10.932 1.00 10.00 O ATOM 1042 OE2 GLU A 83 11.405 -4.025 10.080 1.00 10.00 O ATOM 0 H GLU A 83 6.432 -3.706 8.828 1.00 10.00 H new ATOM 0 HA GLU A 83 9.243 -4.416 8.223 1.00 10.00 H new ATOM 0 HB2 GLU A 83 7.316 -5.377 10.354 1.00 10.00 H new ATOM 0 HB3 GLU A 83 8.658 -6.375 9.831 1.00 10.00 H new ATOM 0 HG2 GLU A 83 9.068 -3.531 10.786 1.00 10.00 H new ATOM 0 HG3 GLU A 83 8.995 -4.878 11.904 1.00 10.00 H new ATOM 1049 N GLU A 84 8.431 -6.833 7.367 1.00 10.00 N ATOM 1050 CA GLU A 84 8.032 -7.887 6.443 1.00 10.00 C ATOM 1051 C GLU A 84 6.841 -8.664 7.003 1.00 10.00 C ATOM 1052 O GLU A 84 6.787 -8.938 8.204 1.00 10.00 O ATOM 1053 CB GLU A 84 9.219 -8.827 6.187 1.00 10.00 C ATOM 1054 CG GLU A 84 8.872 -10.076 5.389 1.00 10.00 C ATOM 1055 CD GLU A 84 8.383 -9.770 3.988 1.00 10.00 C ATOM 1056 OE1 GLU A 84 8.897 -8.821 3.366 1.00 10.00 O ATOM 1057 OE2 GLU A 84 7.499 -10.500 3.494 1.00 10.00 O ATOM 0 H GLU A 84 9.301 -7.020 7.866 1.00 10.00 H new ATOM 0 HA GLU A 84 7.729 -7.437 5.498 1.00 10.00 H new ATOM 0 HB2 GLU A 84 9.995 -8.276 5.656 1.00 10.00 H new ATOM 0 HB3 GLU A 84 9.641 -9.129 7.146 1.00 10.00 H new ATOM 0 HG2 GLU A 84 9.751 -10.717 5.328 1.00 10.00 H new ATOM 0 HG3 GLU A 84 8.104 -10.638 5.921 1.00 10.00 H new ATOM 1064 N GLU A 85 5.891 -8.996 6.123 1.00 10.00 N ATOM 1065 CA GLU A 85 4.687 -9.742 6.493 1.00 10.00 C ATOM 1066 C GLU A 85 3.780 -8.904 7.390 1.00 10.00 C ATOM 1067 O GLU A 85 3.009 -9.441 8.189 1.00 10.00 O ATOM 1068 CB GLU A 85 5.046 -11.061 7.193 1.00 10.00 C ATOM 1069 CG GLU A 85 5.669 -12.100 6.273 1.00 10.00 C ATOM 1070 CD GLU A 85 4.638 -12.969 5.585 1.00 10.00 C ATOM 1071 OE1 GLU A 85 4.675 -13.075 4.343 1.00 10.00 O ATOM 1072 OE2 GLU A 85 3.795 -13.567 6.282 1.00 10.00 O ATOM 0 H GLU A 85 5.937 -8.754 5.133 1.00 10.00 H new ATOM 0 HA GLU A 85 4.150 -9.974 5.573 1.00 10.00 H new ATOM 0 HB2 GLU A 85 5.738 -10.851 8.008 1.00 10.00 H new ATOM 0 HB3 GLU A 85 4.145 -11.480 7.640 1.00 10.00 H new ATOM 0 HG2 GLU A 85 6.273 -11.595 5.519 1.00 10.00 H new ATOM 0 HG3 GLU A 85 6.343 -12.732 6.851 1.00 10.00 H new ATOM 1079 N ASP A 86 3.874 -7.587 7.248 1.00 10.00 N ATOM 1080 CA ASP A 86 3.061 -6.674 8.044 1.00 10.00 C ATOM 1081 C ASP A 86 1.637 -6.616 7.505 1.00 10.00 C ATOM 1082 O ASP A 86 1.382 -6.996 6.362 1.00 10.00 O ATOM 1083 CB ASP A 86 3.674 -5.274 8.061 1.00 10.00 C ATOM 1084 CG ASP A 86 3.885 -4.762 9.473 1.00 10.00 C ATOM 1085 OD1 ASP A 86 3.007 -4.997 10.331 1.00 10.00 O ATOM 1086 OD2 ASP A 86 4.934 -4.137 9.737 1.00 10.00 O ATOM 0 H ASP A 86 4.504 -7.128 6.590 1.00 10.00 H new ATOM 0 HA ASP A 86 3.034 -7.052 9.066 1.00 10.00 H new ATOM 0 HB2 ASP A 86 4.629 -5.290 7.535 1.00 10.00 H new ATOM 0 HB3 ASP A 86 3.023 -4.587 7.520 1.00 10.00 H new ATOM 1091 N VAL A 87 0.718 -6.132 8.325 1.00 10.00 N ATOM 1092 CA VAL A 87 -0.684 -6.046 7.936 1.00 10.00 C ATOM 1093 C VAL A 87 -1.074 -4.619 7.555 1.00 10.00 C ATOM 1094 O VAL A 87 -0.837 -3.674 8.312 1.00 10.00 O ATOM 1095 CB VAL A 87 -1.607 -6.537 9.074 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -3.067 -6.482 8.654 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -1.228 -7.949 9.495 1.00 10.00 C ATOM 0 H VAL A 87 0.916 -5.792 9.266 1.00 10.00 H new ATOM 0 HA VAL A 87 -0.810 -6.690 7.065 1.00 10.00 H new ATOM 0 HB VAL A 87 -1.475 -5.871 9.927 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -3.695 -6.833 9.473 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -3.336 -5.455 8.405 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -3.219 -7.118 7.782 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -1.888 -8.279 10.297 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -1.328 -8.622 8.643 1.00 10.00 H new ATOM 0 HG23 VAL A 87 -0.196 -7.959 9.847 1.00 10.00 H new ATOM 1107 N ILE A 88 -1.674 -4.472 6.381 1.00 10.00 N ATOM 1108 CA ILE A 88 -2.112 -3.173 5.896 1.00 10.00 C ATOM 1109 C ILE A 88 -3.548 -3.269 5.377 1.00 10.00 C ATOM 1110 O ILE A 88 -3.918 -4.244 4.719 1.00 10.00 O ATOM 1111 CB ILE A 88 -1.166 -2.632 4.790 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -1.632 -1.256 4.300 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -1.068 -3.614 3.628 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -0.661 -0.589 3.347 1.00 10.00 C ATOM 0 H ILE A 88 -1.869 -5.244 5.744 1.00 10.00 H new ATOM 0 HA ILE A 88 -2.079 -2.469 6.728 1.00 10.00 H new ATOM 0 HB ILE A 88 -0.172 -2.521 5.223 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.597 -1.364 3.805 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -1.786 -0.606 5.161 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -0.400 -3.212 2.867 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -0.677 -4.566 3.988 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -2.057 -3.768 3.197 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.057 0.380 3.043 1.00 10.00 H new ATOM 0 HD12 ILE A 88 0.299 -0.449 3.845 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.525 -1.218 2.467 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.361 -2.272 5.698 1.00 10.00 N ATOM 1127 CA GLU A 89 -5.755 -2.262 5.272 1.00 10.00 C ATOM 1128 C GLU A 89 -6.029 -1.100 4.325 1.00 10.00 C ATOM 1129 O GLU A 89 -5.522 0.005 4.520 1.00 10.00 O ATOM 1130 CB GLU A 89 -6.677 -2.164 6.487 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.313 -3.128 7.604 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.242 -3.011 8.790 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.006 -3.967 9.047 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -7.212 -1.965 9.471 1.00 10.00 O ATOM 0 H GLU A 89 -4.081 -1.461 6.250 1.00 10.00 H new ATOM 0 HA GLU A 89 -5.952 -3.194 4.742 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -6.648 -1.145 6.873 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -7.702 -2.357 6.171 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -6.341 -4.149 7.223 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -5.290 -2.936 7.927 1.00 10.00 H new ATOM 1141 N VAL A 90 -6.841 -1.353 3.310 1.00 10.00 N ATOM 1142 CA VAL A 90 -7.188 -0.336 2.333 1.00 10.00 C ATOM 1143 C VAL A 90 -8.687 -0.371 2.032 1.00 10.00 C ATOM 1144 O VAL A 90 -9.243 -1.412 1.675 1.00 10.00 O ATOM 1145 CB VAL A 90 -6.371 -0.495 1.027 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -6.544 -1.883 0.434 1.00 10.00 C ATOM 1147 CG2 VAL A 90 -6.754 0.574 0.016 1.00 10.00 C ATOM 0 H VAL A 90 -7.274 -2.261 3.142 1.00 10.00 H new ATOM 0 HA VAL A 90 -6.937 0.633 2.764 1.00 10.00 H new ATOM 0 HB VAL A 90 -5.318 -0.368 1.277 1.00 10.00 H new ATOM 0 HG11 VAL A 90 -5.958 -1.963 -0.482 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -6.202 -2.630 1.150 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -7.597 -2.053 0.207 1.00 10.00 H new ATOM 0 HG21 VAL A 90 -6.167 0.442 -0.893 1.00 10.00 H new ATOM 0 HG22 VAL A 90 -7.814 0.488 -0.221 1.00 10.00 H new ATOM 0 HG23 VAL A 90 -6.555 1.560 0.436 1.00 10.00 H new ATOM 1157 N TYR A 91 -9.337 0.768 2.210 1.00 10.00 N ATOM 1158 CA TYR A 91 -10.768 0.890 1.968 1.00 10.00 C ATOM 1159 C TYR A 91 -11.049 2.139 1.147 1.00 10.00 C ATOM 1160 O TYR A 91 -10.169 2.981 0.980 1.00 10.00 O ATOM 1161 CB TYR A 91 -11.529 0.943 3.295 1.00 10.00 C ATOM 1162 CG TYR A 91 -11.516 -0.367 4.056 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -12.185 -1.481 3.568 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -10.838 -0.488 5.263 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -12.180 -2.678 4.258 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -10.826 -1.681 5.959 1.00 10.00 C ATOM 1167 CZ TYR A 91 -11.499 -2.773 5.452 1.00 10.00 C ATOM 1168 OH TYR A 91 -11.494 -3.964 6.145 1.00 10.00 O ATOM 0 H TYR A 91 -8.892 1.630 2.524 1.00 10.00 H new ATOM 0 HA TYR A 91 -11.108 0.017 1.410 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -11.095 1.722 3.922 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -12.562 1.230 3.100 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -12.719 -1.411 2.632 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -10.311 0.366 5.664 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -12.707 -3.534 3.864 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -10.293 -1.758 6.895 1.00 10.00 H new ATOM 0 HH TYR A 91 -10.968 -3.863 6.965 1.00 10.00 H new ATOM 1178 N GLN A 92 -12.265 2.264 0.634 1.00 10.00 N ATOM 1179 CA GLN A 92 -12.630 3.422 -0.171 1.00 10.00 C ATOM 1180 C GLN A 92 -13.008 4.604 0.718 1.00 10.00 C ATOM 1181 O GLN A 92 -13.645 4.437 1.760 1.00 10.00 O ATOM 1182 CB GLN A 92 -13.788 3.088 -1.114 1.00 10.00 C ATOM 1183 CG GLN A 92 -13.966 4.103 -2.233 1.00 10.00 C ATOM 1184 CD GLN A 92 -15.271 3.934 -2.983 1.00 10.00 C ATOM 1185 OE1 GLN A 92 -15.345 3.219 -3.984 1.00 10.00 O ATOM 1186 NE2 GLN A 92 -16.312 4.599 -2.510 1.00 10.00 N ATOM 0 H GLN A 92 -13.013 1.582 0.760 1.00 10.00 H new ATOM 0 HA GLN A 92 -11.761 3.697 -0.769 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -13.620 2.103 -1.550 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -14.711 3.028 -0.537 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -13.921 5.108 -1.815 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -13.136 4.012 -2.934 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -16.210 5.181 -1.678 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -17.216 4.530 -2.977 1.00 10.00 H new ATOM 1195 N GLU A 93 -12.603 5.794 0.301 1.00 10.00 N ATOM 1196 CA GLU A 93 -12.895 7.014 1.036 1.00 10.00 C ATOM 1197 C GLU A 93 -14.298 7.517 0.712 1.00 10.00 C ATOM 1198 O GLU A 93 -14.923 7.072 -0.256 1.00 10.00 O ATOM 1199 CB GLU A 93 -11.865 8.092 0.702 1.00 10.00 C ATOM 1200 CG GLU A 93 -10.527 7.893 1.395 1.00 10.00 C ATOM 1201 CD GLU A 93 -10.586 8.210 2.875 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -11.317 7.515 3.611 1.00 10.00 O ATOM 1203 OE2 GLU A 93 -9.900 9.159 3.311 1.00 10.00 O ATOM 0 H GLU A 93 -12.065 5.940 -0.553 1.00 10.00 H new ATOM 0 HA GLU A 93 -12.844 6.791 2.102 1.00 10.00 H new ATOM 0 HB2 GLU A 93 -11.707 8.109 -0.376 1.00 10.00 H new ATOM 0 HB3 GLU A 93 -12.268 9.066 0.981 1.00 10.00 H new ATOM 0 HG2 GLU A 93 -10.202 6.861 1.261 1.00 10.00 H new ATOM 0 HG3 GLU A 93 -9.778 8.527 0.921 1.00 10.00 H new ATOM 1210 N GLN A 94 -14.787 8.437 1.530 1.00 10.00 N ATOM 1211 CA GLN A 94 -16.112 9.017 1.344 1.00 10.00 C ATOM 1212 C GLN A 94 -16.154 9.861 0.073 1.00 10.00 C ATOM 1213 O GLN A 94 -17.192 9.972 -0.581 1.00 10.00 O ATOM 1214 CB GLN A 94 -16.468 9.876 2.557 1.00 10.00 C ATOM 1215 CG GLN A 94 -17.939 10.245 2.652 1.00 10.00 C ATOM 1216 CD GLN A 94 -18.201 11.279 3.729 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -17.352 12.125 4.008 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -19.370 11.214 4.347 1.00 10.00 N ATOM 0 H GLN A 94 -14.281 8.802 2.337 1.00 10.00 H new ATOM 0 HA GLN A 94 -16.840 8.212 1.245 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -16.180 9.342 3.463 1.00 10.00 H new ATOM 0 HB3 GLN A 94 -15.877 10.791 2.525 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -18.278 10.630 1.690 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -18.524 9.349 2.861 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -20.046 10.497 4.085 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -19.595 11.881 5.085 1.00 10.00 H new ATOM 1227 N THR A 95 -15.011 10.435 -0.277 1.00 10.00 N ATOM 1228 CA THR A 95 -14.890 11.278 -1.458 1.00 10.00 C ATOM 1229 C THR A 95 -15.169 10.498 -2.745 1.00 10.00 C ATOM 1230 O THR A 95 -15.597 11.068 -3.750 1.00 10.00 O ATOM 1231 CB THR A 95 -13.482 11.891 -1.530 1.00 10.00 C ATOM 1232 OG1 THR A 95 -12.974 12.085 -0.201 1.00 10.00 O ATOM 1233 CG2 THR A 95 -13.506 13.222 -2.270 1.00 10.00 C ATOM 0 H THR A 95 -14.143 10.330 0.249 1.00 10.00 H new ATOM 0 HA THR A 95 -15.635 12.068 -1.370 1.00 10.00 H new ATOM 0 HB THR A 95 -12.833 11.206 -2.076 1.00 10.00 H new ATOM 0 HG1 THR A 95 -12.076 12.474 -0.248 1.00 10.00 H new ATOM 0 HG21 THR A 95 -12.498 13.636 -2.308 1.00 10.00 H new ATOM 0 HG22 THR A 95 -13.873 13.068 -3.285 1.00 10.00 H new ATOM 0 HG23 THR A 95 -14.164 13.917 -1.748 1.00 10.00 H new ATOM 1241 N GLY A 96 -14.923 9.194 -2.713 1.00 10.00 N ATOM 1242 CA GLY A 96 -15.155 8.362 -3.882 1.00 10.00 C ATOM 1243 C GLY A 96 -14.004 8.416 -4.869 1.00 10.00 C ATOM 1244 O GLY A 96 -13.556 7.383 -5.366 1.00 10.00 O ATOM 0 H GLY A 96 -14.566 8.696 -1.898 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -15.310 7.331 -3.565 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -16.071 8.684 -4.378 1.00 10.00 H new ATOM 1248 N GLY A 97 -13.530 9.621 -5.152 1.00 10.00 N ATOM 1249 CA GLY A 97 -12.430 9.793 -6.081 1.00 10.00 C ATOM 1250 C GLY A 97 -11.317 10.643 -5.502 1.00 10.00 C ATOM 1251 O GLY A 97 -11.233 10.820 -4.282 1.00 10.00 O ATOM 0 H GLY A 97 -13.890 10.488 -4.752 1.00 10.00 H new ATOM 0 HA2 GLY A 97 -12.033 8.816 -6.356 1.00 10.00 H new ATOM 0 HA3 GLY A 97 -12.799 10.256 -6.996 1.00 10.00 H new ATOM 1256 N ASP B 195 -7.494 -20.358 -3.799 1.00 10.00 N ATOM 1257 CA ASP B 195 -7.844 -19.136 -3.086 1.00 10.00 C ATOM 1258 C ASP B 195 -7.389 -17.934 -3.901 1.00 10.00 C ATOM 1259 O ASP B 195 -7.164 -18.061 -5.108 1.00 10.00 O ATOM 1260 CB ASP B 195 -7.197 -19.127 -1.704 1.00 10.00 C ATOM 1261 CG ASP B 195 -8.087 -18.489 -0.659 1.00 10.00 C ATOM 1262 OD1 ASP B 195 -8.428 -19.164 0.335 1.00 10.00 O ATOM 1263 OD2 ASP B 195 -8.464 -17.311 -0.828 1.00 10.00 O ATOM 0 HA ASP B 195 -8.925 -19.088 -2.952 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -6.966 -20.150 -1.406 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -6.251 -18.588 -1.751 1.00 10.00 H new ATOM 1268 N THR B 196 -7.230 -16.779 -3.276 1.00 10.00 N ATOM 1269 CA THR B 196 -6.797 -15.623 -4.029 1.00 10.00 C ATOM 1270 C THR B 196 -5.462 -15.082 -3.534 1.00 10.00 C ATOM 1271 O THR B 196 -5.304 -14.724 -2.368 1.00 10.00 O ATOM 1272 CB THR B 196 -7.841 -14.496 -3.942 1.00 10.00 C ATOM 1273 OG1 THR B 196 -9.165 -15.042 -4.021 1.00 10.00 O ATOM 1274 CG2 THR B 196 -7.632 -13.486 -5.063 1.00 10.00 C ATOM 0 H THR B 196 -7.389 -16.622 -2.281 1.00 10.00 H new ATOM 0 HA THR B 196 -6.681 -15.953 -5.061 1.00 10.00 H new ATOM 0 HB THR B 196 -7.720 -13.988 -2.985 1.00 10.00 H new ATOM 0 HG1 THR B 196 -9.822 -14.317 -3.963 1.00 10.00 H new ATOM 0 HG21 THR B 196 -8.379 -12.696 -4.985 1.00 10.00 H new ATOM 0 HG22 THR B 196 -6.636 -13.052 -4.981 1.00 10.00 H new ATOM 0 HG23 THR B 196 -7.731 -13.986 -6.026 1.00 10.00 H new ATOM 1282 N ALA B 197 -4.498 -15.041 -4.443 1.00 10.00 N ATOM 1283 CA ALA B 197 -3.186 -14.495 -4.152 1.00 10.00 C ATOM 1284 C ALA B 197 -2.841 -13.471 -5.211 1.00 10.00 C ATOM 1285 O ALA B 197 -2.831 -13.785 -6.402 1.00 10.00 O ATOM 1286 CB ALA B 197 -2.140 -15.599 -4.104 1.00 10.00 C ATOM 0 H ALA B 197 -4.605 -15.384 -5.398 1.00 10.00 H new ATOM 0 HA ALA B 197 -3.198 -14.016 -3.173 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -1.164 -15.166 -3.884 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -2.403 -16.316 -3.326 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -2.103 -16.107 -5.068 1.00 10.00 H new ATOM 1292 N GLY B 198 -2.554 -12.264 -4.786 1.00 10.00 N ATOM 1293 CA GLY B 198 -2.191 -11.226 -5.722 1.00 10.00 C ATOM 1294 C GLY B 198 -0.867 -10.614 -5.367 1.00 10.00 C ATOM 1295 O GLY B 198 -0.664 -10.274 -4.214 1.00 10.00 O ATOM 0 H GLY B 198 -2.564 -11.977 -3.807 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -2.145 -11.641 -6.729 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -2.961 -10.454 -5.730 1.00 10.00 H new ATOM 1299 N CYS B 199 0.048 -10.495 -6.309 1.00 10.00 N ATOM 1300 CA CYS B 199 1.329 -9.876 -6.002 1.00 10.00 C ATOM 1301 C CYS B 199 1.529 -8.645 -6.875 1.00 10.00 C ATOM 1302 O CYS B 199 1.505 -8.733 -8.103 1.00 10.00 O ATOM 1303 CB CYS B 199 2.469 -10.872 -6.216 1.00 10.00 C ATOM 1304 SG CYS B 199 2.213 -12.472 -5.409 1.00 10.00 S ATOM 0 H CYS B 199 -0.063 -10.810 -7.273 1.00 10.00 H new ATOM 0 HA CYS B 199 1.333 -9.572 -4.955 1.00 10.00 H new ATOM 0 HB2 CYS B 199 2.600 -11.034 -7.286 1.00 10.00 H new ATOM 0 HB3 CYS B 199 3.395 -10.433 -5.844 1.00 10.00 H new ATOM 0 HG CYS B 199 3.072 -12.614 -4.444 1.00 10.00 H new ATOM 1310 N ILE B 200 1.750 -7.509 -6.235 1.00 10.00 N ATOM 1311 CA ILE B 200 1.936 -6.256 -6.946 1.00 10.00 C ATOM 1312 C ILE B 200 3.271 -5.607 -6.579 1.00 10.00 C ATOM 1313 O ILE B 200 3.583 -5.433 -5.401 1.00 10.00 O ATOM 1314 CB ILE B 200 0.753 -5.289 -6.669 1.00 10.00 C ATOM 1315 CG1 ILE B 200 1.075 -3.864 -7.135 1.00 10.00 C ATOM 1316 CG2 ILE B 200 0.364 -5.297 -5.193 1.00 10.00 C ATOM 1317 CD1 ILE B 200 -0.029 -2.870 -6.842 1.00 10.00 C ATOM 0 H ILE B 200 1.805 -7.429 -5.220 1.00 10.00 H new ATOM 0 HA ILE B 200 1.956 -6.473 -8.014 1.00 10.00 H new ATOM 0 HB ILE B 200 -0.100 -5.647 -7.246 1.00 10.00 H new ATOM 0 HG12 ILE B 200 1.992 -3.530 -6.650 1.00 10.00 H new ATOM 0 HG13 ILE B 200 1.268 -3.876 -8.208 1.00 10.00 H new ATOM 0 HG21 ILE B 200 -0.467 -4.610 -5.032 1.00 10.00 H new ATOM 0 HG22 ILE B 200 0.064 -6.304 -4.901 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.216 -4.983 -4.590 1.00 10.00 H new ATOM 0 HD11 ILE B 200 0.266 -1.883 -7.198 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -0.942 -3.181 -7.349 1.00 10.00 H new ATOM 0 HD13 ILE B 200 -0.207 -2.830 -5.767 1.00 10.00 H new ATOM 1329 N VAL B 201 4.055 -5.262 -7.593 1.00 10.00 N ATOM 1330 CA VAL B 201 5.349 -4.632 -7.380 1.00 10.00 C ATOM 1331 C VAL B 201 5.419 -3.278 -8.091 1.00 10.00 C ATOM 1332 O VAL B 201 4.973 -3.130 -9.233 1.00 10.00 O ATOM 1333 CB VAL B 201 6.518 -5.545 -7.813 1.00 10.00 C ATOM 1334 CG1 VAL B 201 6.664 -5.583 -9.327 1.00 10.00 C ATOM 1335 CG2 VAL B 201 7.811 -5.114 -7.133 1.00 10.00 C ATOM 0 H VAL B 201 3.815 -5.409 -8.573 1.00 10.00 H new ATOM 0 HA VAL B 201 5.454 -4.464 -6.308 1.00 10.00 H new ATOM 0 HB VAL B 201 6.292 -6.562 -7.491 1.00 10.00 H new ATOM 0 HG11 VAL B 201 7.495 -6.234 -9.596 1.00 10.00 H new ATOM 0 HG12 VAL B 201 5.745 -5.965 -9.772 1.00 10.00 H new ATOM 0 HG13 VAL B 201 6.856 -4.577 -9.699 1.00 10.00 H new ATOM 0 HG21 VAL B 201 8.624 -5.768 -7.449 1.00 10.00 H new ATOM 0 HG22 VAL B 201 8.043 -4.086 -7.411 1.00 10.00 H new ATOM 0 HG23 VAL B 201 7.693 -5.179 -6.051 1.00 10.00 H new ATOM 1345 N ILE B 202 5.907 -2.282 -7.372 1.00 10.00 N ATOM 1346 CA ILE B 202 6.042 -0.926 -7.893 1.00 10.00 C ATOM 1347 C ILE B 202 7.501 -0.480 -7.827 1.00 10.00 C ATOM 1348 O ILE B 202 8.187 -0.772 -6.846 1.00 10.00 O ATOM 1349 CB ILE B 202 5.119 0.086 -7.132 1.00 10.00 C ATOM 1350 CG1 ILE B 202 5.923 1.200 -6.448 1.00 10.00 C ATOM 1351 CG2 ILE B 202 4.272 -0.629 -6.086 1.00 10.00 C ATOM 1352 CD1 ILE B 202 5.910 2.531 -7.153 1.00 10.00 C ATOM 0 H ILE B 202 6.222 -2.388 -6.408 1.00 10.00 H new ATOM 0 HA ILE B 202 5.720 -0.936 -8.934 1.00 10.00 H new ATOM 0 HB ILE B 202 4.471 0.538 -7.883 1.00 10.00 H new ATOM 0 HG12 ILE B 202 5.535 1.338 -5.439 1.00 10.00 H new ATOM 0 HG13 ILE B 202 6.957 0.870 -6.349 1.00 10.00 H new ATOM 0 HG21 ILE B 202 3.640 0.096 -5.572 1.00 10.00 H new ATOM 0 HG22 ILE B 202 3.645 -1.375 -6.574 1.00 10.00 H new ATOM 0 HG23 ILE B 202 4.924 -1.119 -5.363 1.00 10.00 H new ATOM 0 HD11 ILE B 202 6.507 3.248 -6.589 1.00 10.00 H new ATOM 0 HD12 ILE B 202 6.329 2.417 -8.153 1.00 10.00 H new ATOM 0 HD13 ILE B 202 4.885 2.893 -7.229 1.00 10.00 H new