USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1023 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 107 SER OG : rot 126:sc= 0.659 USER MOD Set 1.2: A 111 ASN : amide:sc= -0.922 K(o=-0.26,f=0.54) USER MOD Set 2.1: A 74 HIS : no HD1:sc= -0.589 X(o=-0.63,f=-0.78) USER MOD Set 2.2: A 77 LYS NZ :NH3+ 174:sc= -0.0456 (180deg=0) USER MOD Set 3.1: A 39 THR OG1 : rot 180:sc= 0.0619 USER MOD Set 3.2: A 40 THR OG1 : rot 180:sc= 0.0995 USER MOD Single : A 6 THR OG1 : rot 77:sc= 0.00111 USER MOD Single : A 8 GLN : amide:sc= -0.232 K(o=-0.23,f=-1.6) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -130:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 91:sc= 1.3 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ 157:sc= -3.31 (180deg=-4.48!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0795 USER MOD Single : A 25 THR OG1 : rot -43:sc= -0.389 USER MOD Single : A 28 THR OG1 : rot -23:sc= 1.01! USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 36 SER OG : rot -44:sc= 0.646 USER MOD Single : A 37 LYS NZ :NH3+ -157:sc= -0.2 (180deg=-1.04) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -89:sc= -1.42 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0712 USER MOD Single : A 54 GLN : amide:sc= -1.36 K(o=-1.4,f=-3.9!) USER MOD Single : A 56 TYR OH : rot 178:sc= 0.0786 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -11.9! C(o=-12!,f=-24!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -91:sc= -4.65! USER MOD Single : A 71 GLN : amide:sc= -3.43! C(o=-3.4!,f=-3.2!) USER MOD Single : A 72 GLN : amide:sc= -0.438 K(o=-0.44,f=-1.4) USER MOD Single : A 76 HIS : no HD1:sc= -17.1! C(o=-17!,f=-24!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -166:sc= 0.0831 (180deg=-0.208) USER MOD Single : A 89 ASN : amide:sc= -9.1! C(o=-9.1!,f=-14!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= -0.181 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -2.83! C(o=-2.8!,f=-9.2!) USER MOD Single : A 106 GLN : amide:sc= -0.903 K(o=-0.9,f=-0.15) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.547 USER MOD Single : A 117 LYS NZ :NH3+ -162:sc= -0.057 (180deg=-0.309) USER MOD Single : A 118 THR OG1 : rot -170:sc= -0.791 USER MOD Single : A 120 MET CE :methyl -135:sc= -1.74 (180deg=-2.68!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= -0.862! USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 4 13.782 3.264 -25.314 1.00 0.00 N ATOM 53 CA ASP A 4 13.044 4.371 -25.972 1.00 0.00 C ATOM 54 C ASP A 4 13.783 5.692 -25.754 1.00 0.00 C ATOM 55 O ASP A 4 14.767 5.769 -25.047 1.00 0.00 O ATOM 56 CB ASP A 4 11.653 4.469 -25.354 1.00 0.00 C ATOM 57 CG ASP A 4 10.740 5.295 -26.264 1.00 0.00 C ATOM 58 OD1 ASP A 4 10.593 4.923 -27.417 1.00 0.00 O ATOM 59 OD2 ASP A 4 10.203 6.283 -25.792 1.00 0.00 O ATOM 0 HA ASP A 4 12.970 4.174 -27.042 1.00 0.00 H new ATOM 0 HB2 ASP A 4 11.236 3.472 -25.213 1.00 0.00 H new ATOM 0 HB3 ASP A 4 11.714 4.931 -24.369 1.00 0.00 H new ATOM 64 N ILE A 5 13.310 6.733 -26.372 1.00 0.00 N ATOM 65 CA ILE A 5 13.952 8.065 -26.223 1.00 0.00 C ATOM 66 C ILE A 5 13.694 8.631 -24.819 1.00 0.00 C ATOM 67 O ILE A 5 14.472 9.404 -24.304 1.00 0.00 O ATOM 68 CB ILE A 5 13.368 9.010 -27.269 1.00 0.00 C ATOM 69 CG1 ILE A 5 13.643 8.449 -28.664 1.00 0.00 C ATOM 70 CG2 ILE A 5 14.015 10.391 -27.135 1.00 0.00 C ATOM 71 CD1 ILE A 5 12.480 7.551 -29.087 1.00 0.00 C ATOM 0 H ILE A 5 12.494 6.718 -26.983 1.00 0.00 H new ATOM 0 HA ILE A 5 15.028 7.965 -26.364 1.00 0.00 H new ATOM 0 HB ILE A 5 12.293 9.102 -27.117 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.767 9.263 -29.378 1.00 0.00 H new ATOM 0 HG13 ILE A 5 14.574 7.882 -28.663 1.00 0.00 H new ATOM 0 HG21 ILE A 5 13.596 11.063 -27.883 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.820 10.789 -26.139 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.091 10.305 -27.287 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.673 7.149 -30.082 1.00 0.00 H new ATOM 0 HD12 ILE A 5 12.378 6.730 -28.378 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.558 8.133 -29.104 1.00 0.00 H new ATOM 83 N THR A 6 12.592 8.284 -24.211 1.00 0.00 N ATOM 84 CA THR A 6 12.275 8.837 -22.862 1.00 0.00 C ATOM 85 C THR A 6 13.465 8.672 -21.920 1.00 0.00 C ATOM 86 O THR A 6 13.880 9.603 -21.262 1.00 0.00 O ATOM 87 CB THR A 6 11.067 8.096 -22.284 1.00 0.00 C ATOM 88 OG1 THR A 6 9.938 8.310 -23.119 1.00 0.00 O ATOM 89 CG2 THR A 6 10.771 8.618 -20.876 1.00 0.00 C ATOM 0 H THR A 6 11.897 7.641 -24.590 1.00 0.00 H new ATOM 0 HA THR A 6 12.051 9.899 -22.962 1.00 0.00 H new ATOM 0 HB THR A 6 11.284 7.029 -22.234 1.00 0.00 H new ATOM 0 HG1 THR A 6 10.014 7.752 -23.921 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.911 8.090 -20.465 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.638 8.452 -20.237 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.553 9.685 -20.922 1.00 0.00 H new ATOM 97 N LEU A 7 14.003 7.496 -21.820 1.00 0.00 N ATOM 98 CA LEU A 7 15.138 7.290 -20.891 1.00 0.00 C ATOM 99 C LEU A 7 16.264 8.290 -21.158 1.00 0.00 C ATOM 100 O LEU A 7 16.740 8.933 -20.245 1.00 0.00 O ATOM 101 CB LEU A 7 15.704 5.859 -20.964 1.00 0.00 C ATOM 102 CG LEU A 7 15.594 5.200 -22.348 1.00 0.00 C ATOM 103 CD1 LEU A 7 16.551 4.011 -22.382 1.00 0.00 C ATOM 104 CD2 LEU A 7 14.173 4.670 -22.559 1.00 0.00 C ATOM 0 H LEU A 7 13.707 6.670 -22.340 1.00 0.00 H new ATOM 0 HA LEU A 7 14.740 7.450 -19.889 1.00 0.00 H new ATOM 0 HB2 LEU A 7 16.753 5.881 -20.669 1.00 0.00 H new ATOM 0 HB3 LEU A 7 15.181 5.238 -20.237 1.00 0.00 H new ATOM 0 HG LEU A 7 15.834 5.928 -23.123 1.00 0.00 H new ATOM 0 HD11 LEU A 7 16.492 3.524 -23.356 1.00 0.00 H new ATOM 0 HD12 LEU A 7 17.570 4.359 -22.211 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.275 3.300 -21.604 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.101 4.204 -23.542 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.942 3.933 -21.790 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.464 5.495 -22.496 1.00 0.00 H new ATOM 116 N GLN A 8 16.714 8.439 -22.372 1.00 0.00 N ATOM 117 CA GLN A 8 17.817 9.412 -22.601 1.00 0.00 C ATOM 118 C GLN A 8 17.444 10.746 -21.966 1.00 0.00 C ATOM 119 O GLN A 8 18.285 11.495 -21.511 1.00 0.00 O ATOM 120 CB GLN A 8 18.077 9.581 -24.102 1.00 0.00 C ATOM 121 CG GLN A 8 16.964 10.420 -24.729 1.00 0.00 C ATOM 122 CD GLN A 8 17.508 11.801 -25.098 1.00 0.00 C ATOM 123 OE1 GLN A 8 18.436 12.286 -24.482 1.00 0.00 O ATOM 124 NE2 GLN A 8 16.968 12.458 -26.087 1.00 0.00 N ATOM 0 H GLN A 8 16.376 7.943 -23.197 1.00 0.00 H new ATOM 0 HA GLN A 8 18.733 9.039 -22.142 1.00 0.00 H new ATOM 0 HB2 GLN A 8 19.042 10.063 -24.261 1.00 0.00 H new ATOM 0 HB3 GLN A 8 18.125 8.605 -24.584 1.00 0.00 H new ATOM 0 HG2 GLN A 8 16.576 9.922 -25.617 1.00 0.00 H new ATOM 0 HG3 GLN A 8 16.133 10.520 -24.031 1.00 0.00 H new ATOM 0 HE21 GLN A 8 16.189 12.051 -26.604 1.00 0.00 H new ATOM 0 HE22 GLN A 8 17.325 13.379 -26.343 1.00 0.00 H new ATOM 133 N GLU A 9 16.184 11.027 -21.913 1.00 0.00 N ATOM 134 CA GLU A 9 15.721 12.296 -21.286 1.00 0.00 C ATOM 135 C GLU A 9 15.917 12.212 -19.769 1.00 0.00 C ATOM 136 O GLU A 9 16.435 13.121 -19.149 1.00 0.00 O ATOM 137 CB GLU A 9 14.242 12.524 -21.605 1.00 0.00 C ATOM 138 CG GLU A 9 14.121 13.456 -22.810 1.00 0.00 C ATOM 139 CD GLU A 9 12.705 13.369 -23.384 1.00 0.00 C ATOM 140 OE1 GLU A 9 11.788 13.135 -22.614 1.00 0.00 O ATOM 141 OE2 GLU A 9 12.564 13.533 -24.584 1.00 0.00 O ATOM 0 H GLU A 9 15.442 10.431 -22.279 1.00 0.00 H new ATOM 0 HA GLU A 9 16.301 13.129 -21.683 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.753 11.573 -21.816 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.735 12.958 -20.743 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.342 14.481 -22.513 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.851 13.180 -23.571 1.00 0.00 H new ATOM 148 N ILE A 10 15.503 11.128 -19.163 1.00 0.00 N ATOM 149 CA ILE A 10 15.659 10.987 -17.690 1.00 0.00 C ATOM 150 C ILE A 10 17.132 11.153 -17.307 1.00 0.00 C ATOM 151 O ILE A 10 17.458 11.892 -16.410 1.00 0.00 O ATOM 152 CB ILE A 10 15.159 9.602 -17.256 1.00 0.00 C ATOM 153 CG1 ILE A 10 13.630 9.617 -17.159 1.00 0.00 C ATOM 154 CG2 ILE A 10 15.741 9.234 -15.887 1.00 0.00 C ATOM 155 CD1 ILE A 10 13.040 10.325 -18.381 1.00 0.00 C ATOM 0 H ILE A 10 15.063 10.335 -19.629 1.00 0.00 H new ATOM 0 HA ILE A 10 15.074 11.757 -17.187 1.00 0.00 H new ATOM 0 HB ILE A 10 15.479 8.866 -17.994 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.250 8.597 -17.100 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.319 10.126 -16.247 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.379 8.250 -15.590 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.829 9.217 -15.947 1.00 0.00 H new ATOM 0 HG23 ILE A 10 15.429 9.973 -15.149 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.953 10.333 -18.307 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.408 11.350 -18.421 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.338 9.797 -19.287 1.00 0.00 H new ATOM 167 N ILE A 11 18.022 10.472 -17.971 1.00 0.00 N ATOM 168 CA ILE A 11 19.463 10.606 -17.612 1.00 0.00 C ATOM 169 C ILE A 11 19.824 12.088 -17.528 1.00 0.00 C ATOM 170 O ILE A 11 20.664 12.486 -16.747 1.00 0.00 O ATOM 171 CB ILE A 11 20.329 9.910 -18.673 1.00 0.00 C ATOM 172 CG1 ILE A 11 20.328 8.401 -18.419 1.00 0.00 C ATOM 173 CG2 ILE A 11 21.767 10.429 -18.598 1.00 0.00 C ATOM 174 CD1 ILE A 11 20.737 7.671 -19.700 1.00 0.00 C ATOM 0 H ILE A 11 17.819 9.834 -18.740 1.00 0.00 H new ATOM 0 HA ILE A 11 19.646 10.135 -16.646 1.00 0.00 H new ATOM 0 HB ILE A 11 19.920 10.122 -19.661 1.00 0.00 H new ATOM 0 HG12 ILE A 11 21.018 8.156 -17.612 1.00 0.00 H new ATOM 0 HG13 ILE A 11 19.338 8.075 -18.102 1.00 0.00 H new ATOM 0 HG21 ILE A 11 22.374 9.930 -19.354 1.00 0.00 H new ATOM 0 HG22 ILE A 11 21.776 11.504 -18.777 1.00 0.00 H new ATOM 0 HG23 ILE A 11 22.177 10.223 -17.609 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.737 6.596 -19.522 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.030 7.907 -20.495 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.736 7.990 -19.997 1.00 0.00 H new ATOM 186 N LYS A 12 19.194 12.913 -18.315 1.00 0.00 N ATOM 187 CA LYS A 12 19.505 14.366 -18.257 1.00 0.00 C ATOM 188 C LYS A 12 19.159 14.894 -16.862 1.00 0.00 C ATOM 189 O LYS A 12 19.918 15.624 -16.256 1.00 0.00 O ATOM 190 CB LYS A 12 18.678 15.110 -19.308 1.00 0.00 C ATOM 191 CG LYS A 12 19.381 16.416 -19.680 1.00 0.00 C ATOM 192 CD LYS A 12 18.972 17.514 -18.697 1.00 0.00 C ATOM 193 CE LYS A 12 18.802 18.836 -19.451 1.00 0.00 C ATOM 194 NZ LYS A 12 17.367 19.026 -19.804 1.00 0.00 N ATOM 0 H LYS A 12 18.480 12.645 -18.993 1.00 0.00 H new ATOM 0 HA LYS A 12 20.564 14.525 -18.458 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.552 14.488 -20.194 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.681 15.319 -18.920 1.00 0.00 H new ATOM 0 HG2 LYS A 12 20.462 16.278 -19.659 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.117 16.707 -20.697 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.040 17.244 -18.200 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.728 17.621 -17.919 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.149 19.666 -18.835 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.412 18.833 -20.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.251 19.924 -20.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.051 18.240 -20.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.796 19.047 -18.935 1.00 0.00 H new ATOM 208 N THR A 13 18.013 14.529 -16.350 1.00 0.00 N ATOM 209 CA THR A 13 17.607 15.006 -14.996 1.00 0.00 C ATOM 210 C THR A 13 18.478 14.338 -13.924 1.00 0.00 C ATOM 211 O THR A 13 19.032 14.996 -13.066 1.00 0.00 O ATOM 212 CB THR A 13 16.135 14.655 -14.762 1.00 0.00 C ATOM 213 OG1 THR A 13 15.320 15.472 -15.590 1.00 0.00 O ATOM 214 CG2 THR A 13 15.776 14.898 -13.294 1.00 0.00 C ATOM 0 H THR A 13 17.339 13.919 -16.813 1.00 0.00 H new ATOM 0 HA THR A 13 17.740 16.086 -14.934 1.00 0.00 H new ATOM 0 HB THR A 13 15.968 13.606 -15.005 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.611 15.881 -15.050 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.728 14.648 -13.129 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.403 14.273 -12.658 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.941 15.947 -13.048 1.00 0.00 H new ATOM 222 N LEU A 14 18.604 13.040 -13.967 1.00 0.00 N ATOM 223 CA LEU A 14 19.438 12.335 -12.956 1.00 0.00 C ATOM 224 C LEU A 14 20.831 12.968 -12.929 1.00 0.00 C ATOM 225 O LEU A 14 21.480 13.027 -11.904 1.00 0.00 O ATOM 226 CB LEU A 14 19.555 10.853 -13.340 1.00 0.00 C ATOM 227 CG LEU A 14 18.266 10.101 -12.972 1.00 0.00 C ATOM 228 CD1 LEU A 14 17.041 10.968 -13.280 1.00 0.00 C ATOM 229 CD2 LEU A 14 18.180 8.804 -13.785 1.00 0.00 C ATOM 0 H LEU A 14 18.163 12.437 -14.661 1.00 0.00 H new ATOM 0 HA LEU A 14 18.978 12.419 -11.971 1.00 0.00 H new ATOM 0 HB2 LEU A 14 19.744 10.762 -14.410 1.00 0.00 H new ATOM 0 HB3 LEU A 14 20.405 10.404 -12.826 1.00 0.00 H new ATOM 0 HG LEU A 14 18.285 9.871 -11.907 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.134 10.424 -13.015 1.00 0.00 H new ATOM 0 HD12 LEU A 14 17.093 11.890 -12.701 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.023 11.207 -14.343 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.266 8.271 -13.524 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.170 9.041 -14.849 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.043 8.176 -13.561 1.00 0.00 H new ATOM 241 N ASN A 15 21.288 13.446 -14.054 1.00 0.00 N ATOM 242 CA ASN A 15 22.636 14.081 -14.108 1.00 0.00 C ATOM 243 C ASN A 15 22.598 15.433 -13.369 1.00 0.00 C ATOM 244 O ASN A 15 23.433 15.701 -12.530 1.00 0.00 O ATOM 245 CB ASN A 15 23.027 14.314 -15.567 1.00 0.00 C ATOM 246 CG ASN A 15 24.341 15.096 -15.625 1.00 0.00 C ATOM 247 OD1 ASN A 15 24.344 16.284 -15.883 1.00 0.00 O ATOM 248 ND2 ASN A 15 25.466 14.477 -15.393 1.00 0.00 N ATOM 0 H ASN A 15 20.785 13.424 -14.941 1.00 0.00 H new ATOM 0 HA ASN A 15 23.366 13.426 -13.632 1.00 0.00 H new ATOM 0 HB2 ASN A 15 23.137 13.360 -16.082 1.00 0.00 H new ATOM 0 HB3 ASN A 15 22.240 14.866 -16.082 1.00 0.00 H new ATOM 0 HD21 ASN A 15 26.347 14.990 -15.428 1.00 0.00 H new ATOM 0 HD22 ASN A 15 25.464 13.480 -15.176 1.00 0.00 H new ATOM 255 N SER A 16 21.642 16.302 -13.670 1.00 0.00 N ATOM 256 CA SER A 16 21.602 17.616 -12.966 1.00 0.00 C ATOM 257 C SER A 16 21.588 17.389 -11.455 1.00 0.00 C ATOM 258 O SER A 16 22.360 17.975 -10.722 1.00 0.00 O ATOM 259 CB SER A 16 20.340 18.376 -13.379 1.00 0.00 C ATOM 260 OG SER A 16 20.454 19.734 -12.982 1.00 0.00 O ATOM 0 H SER A 16 20.907 16.151 -14.361 1.00 0.00 H new ATOM 0 HA SER A 16 22.483 18.198 -13.236 1.00 0.00 H new ATOM 0 HB2 SER A 16 20.201 18.312 -14.458 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.463 17.923 -12.917 1.00 0.00 H new ATOM 0 HG SER A 16 19.647 20.221 -13.248 1.00 0.00 H new ATOM 266 N LEU A 17 20.715 16.546 -10.980 1.00 0.00 N ATOM 267 CA LEU A 17 20.651 16.285 -9.514 1.00 0.00 C ATOM 268 C LEU A 17 22.000 15.757 -9.024 1.00 0.00 C ATOM 269 O LEU A 17 22.383 15.969 -7.892 1.00 0.00 O ATOM 270 CB LEU A 17 19.557 15.253 -9.225 1.00 0.00 C ATOM 271 CG LEU A 17 18.268 15.663 -9.941 1.00 0.00 C ATOM 272 CD1 LEU A 17 17.106 14.792 -9.456 1.00 0.00 C ATOM 273 CD2 LEU A 17 17.967 17.133 -9.635 1.00 0.00 C ATOM 0 H LEU A 17 20.042 16.026 -11.543 1.00 0.00 H new ATOM 0 HA LEU A 17 20.419 17.213 -8.992 1.00 0.00 H new ATOM 0 HB2 LEU A 17 19.875 14.266 -9.562 1.00 0.00 H new ATOM 0 HB3 LEU A 17 19.383 15.183 -8.151 1.00 0.00 H new ATOM 0 HG LEU A 17 18.392 15.529 -11.016 1.00 0.00 H new ATOM 0 HD11 LEU A 17 16.191 15.088 -9.969 1.00 0.00 H new ATOM 0 HD12 LEU A 17 17.321 13.745 -9.672 1.00 0.00 H new ATOM 0 HD13 LEU A 17 16.978 14.922 -8.381 1.00 0.00 H new ATOM 0 HD21 LEU A 17 17.049 17.430 -10.143 1.00 0.00 H new ATOM 0 HD22 LEU A 17 17.845 17.263 -8.560 1.00 0.00 H new ATOM 0 HD23 LEU A 17 18.792 17.754 -9.984 1.00 0.00 H new ATOM 285 N THR A 18 22.726 15.069 -9.863 1.00 0.00 N ATOM 286 CA THR A 18 24.047 14.534 -9.429 1.00 0.00 C ATOM 287 C THR A 18 25.016 15.684 -9.201 1.00 0.00 C ATOM 288 O THR A 18 25.694 15.761 -8.195 1.00 0.00 O ATOM 289 CB THR A 18 24.603 13.597 -10.504 1.00 0.00 C ATOM 290 OG1 THR A 18 23.675 12.547 -10.742 1.00 0.00 O ATOM 291 CG2 THR A 18 25.934 13.007 -10.031 1.00 0.00 C ATOM 0 H THR A 18 22.463 14.855 -10.825 1.00 0.00 H new ATOM 0 HA THR A 18 23.922 13.980 -8.499 1.00 0.00 H new ATOM 0 HB THR A 18 24.763 14.156 -11.426 1.00 0.00 H new ATOM 0 HG1 THR A 18 23.064 12.807 -11.463 1.00 0.00 H new ATOM 0 HG21 THR A 18 26.329 12.340 -10.797 1.00 0.00 H new ATOM 0 HG22 THR A 18 26.645 13.813 -9.850 1.00 0.00 H new ATOM 0 HG23 THR A 18 25.777 12.448 -9.109 1.00 0.00 H new ATOM 299 N GLU A 19 25.072 16.577 -10.129 1.00 0.00 N ATOM 300 CA GLU A 19 25.983 17.747 -9.991 1.00 0.00 C ATOM 301 C GLU A 19 25.619 18.506 -8.727 1.00 0.00 C ATOM 302 O GLU A 19 26.444 19.124 -8.087 1.00 0.00 O ATOM 303 CB GLU A 19 25.839 18.662 -11.209 1.00 0.00 C ATOM 304 CG GLU A 19 27.040 19.609 -11.280 1.00 0.00 C ATOM 305 CD GLU A 19 27.156 20.180 -12.694 1.00 0.00 C ATOM 306 OE1 GLU A 19 26.141 20.585 -13.234 1.00 0.00 O ATOM 307 OE2 GLU A 19 28.260 20.203 -13.213 1.00 0.00 O ATOM 0 H GLU A 19 24.524 16.555 -10.989 1.00 0.00 H new ATOM 0 HA GLU A 19 27.016 17.406 -9.929 1.00 0.00 H new ATOM 0 HB2 GLU A 19 25.778 18.066 -12.120 1.00 0.00 H new ATOM 0 HB3 GLU A 19 24.914 19.235 -11.140 1.00 0.00 H new ATOM 0 HG2 GLU A 19 26.922 20.417 -10.558 1.00 0.00 H new ATOM 0 HG3 GLU A 19 27.953 19.076 -11.015 1.00 0.00 H new ATOM 314 N GLN A 20 24.379 18.448 -8.370 1.00 0.00 N ATOM 315 CA GLN A 20 23.911 19.148 -7.139 1.00 0.00 C ATOM 316 C GLN A 20 23.330 18.117 -6.168 1.00 0.00 C ATOM 317 O GLN A 20 22.210 17.676 -6.318 1.00 0.00 O ATOM 318 CB GLN A 20 22.830 20.166 -7.509 1.00 0.00 C ATOM 319 CG GLN A 20 23.455 21.305 -8.317 1.00 0.00 C ATOM 320 CD GLN A 20 22.384 22.349 -8.637 1.00 0.00 C ATOM 321 OE1 GLN A 20 21.212 22.036 -8.694 1.00 0.00 O ATOM 322 NE2 GLN A 20 22.740 23.587 -8.850 1.00 0.00 N ATOM 0 H GLN A 20 23.654 17.942 -8.879 1.00 0.00 H new ATOM 0 HA GLN A 20 24.748 19.666 -6.670 1.00 0.00 H new ATOM 0 HB2 GLN A 20 22.044 19.683 -8.090 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.363 20.560 -6.607 1.00 0.00 H new ATOM 0 HG2 GLN A 20 24.267 21.763 -7.753 1.00 0.00 H new ATOM 0 HG3 GLN A 20 23.887 20.917 -9.239 1.00 0.00 H new ATOM 0 HE21 GLN A 20 23.724 23.850 -8.802 1.00 0.00 H new ATOM 0 HE22 GLN A 20 22.034 24.291 -9.064 1.00 0.00 H new ATOM 331 N LYS A 21 24.085 17.728 -5.176 1.00 0.00 N ATOM 332 CA LYS A 21 23.581 16.723 -4.196 1.00 0.00 C ATOM 333 C LYS A 21 24.750 16.229 -3.343 1.00 0.00 C ATOM 334 O LYS A 21 25.322 15.189 -3.599 1.00 0.00 O ATOM 335 CB LYS A 21 22.961 15.538 -4.942 1.00 0.00 C ATOM 336 CG LYS A 21 21.442 15.543 -4.745 1.00 0.00 C ATOM 337 CD LYS A 21 21.113 15.344 -3.263 1.00 0.00 C ATOM 338 CE LYS A 21 19.668 15.770 -3.001 1.00 0.00 C ATOM 339 NZ LYS A 21 18.839 14.564 -2.712 1.00 0.00 N ATOM 0 H LYS A 21 25.032 18.064 -5.002 1.00 0.00 H new ATOM 0 HA LYS A 21 22.824 17.182 -3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.200 15.599 -6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 21 23.382 14.603 -4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 21 21.023 16.486 -5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 21 20.986 14.750 -5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 21 21.251 14.299 -2.986 1.00 0.00 H new ATOM 0 HD3 LYS A 21 21.794 15.930 -2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 21 19.628 16.462 -2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 21 19.271 16.299 -3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.997 14.843 -2.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 18.544 14.123 -3.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 19.397 13.883 -2.158 1.00 0.00 H new ATOM 353 N THR A 22 25.116 16.972 -2.337 1.00 0.00 N ATOM 354 CA THR A 22 26.257 16.547 -1.474 1.00 0.00 C ATOM 355 C THR A 22 26.046 17.045 -0.042 1.00 0.00 C ATOM 356 O THR A 22 25.762 16.277 0.856 1.00 0.00 O ATOM 357 CB THR A 22 27.560 17.128 -2.028 1.00 0.00 C ATOM 358 OG1 THR A 22 28.493 17.291 -0.969 1.00 0.00 O ATOM 359 CG2 THR A 22 27.285 18.485 -2.682 1.00 0.00 C ATOM 0 H THR A 22 24.677 17.854 -2.074 1.00 0.00 H new ATOM 0 HA THR A 22 26.313 15.458 -1.469 1.00 0.00 H new ATOM 0 HB THR A 22 27.970 16.447 -2.774 1.00 0.00 H new ATOM 0 HG1 THR A 22 29.328 17.661 -1.323 1.00 0.00 H new ATOM 0 HG21 THR A 22 28.215 18.895 -3.075 1.00 0.00 H new ATOM 0 HG22 THR A 22 26.572 18.359 -3.496 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.872 19.169 -1.941 1.00 0.00 H new ATOM 367 N LEU A 23 26.188 18.326 0.184 1.00 0.00 N ATOM 368 CA LEU A 23 26.006 18.868 1.561 1.00 0.00 C ATOM 369 C LEU A 23 24.756 18.282 2.208 1.00 0.00 C ATOM 370 O LEU A 23 24.626 18.250 3.417 1.00 0.00 O ATOM 371 CB LEU A 23 25.888 20.392 1.502 1.00 0.00 C ATOM 372 CG LEU A 23 26.453 20.997 2.787 1.00 0.00 C ATOM 373 CD1 LEU A 23 27.845 21.569 2.515 1.00 0.00 C ATOM 374 CD2 LEU A 23 25.528 22.116 3.272 1.00 0.00 C ATOM 0 H LEU A 23 26.422 19.019 -0.527 1.00 0.00 H new ATOM 0 HA LEU A 23 26.872 18.590 2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 23 26.430 20.776 0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 23 24.845 20.682 1.379 1.00 0.00 H new ATOM 0 HG LEU A 23 26.522 20.224 3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 23 28.247 22.000 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 23 28.504 20.773 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 23 27.777 22.342 1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 23 25.930 22.548 4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 23 25.459 22.888 2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 23 24.536 21.709 3.467 1.00 0.00 H new ATOM 386 N CYS A 24 23.844 17.817 1.422 1.00 0.00 N ATOM 387 CA CYS A 24 22.604 17.225 1.994 1.00 0.00 C ATOM 388 C CYS A 24 22.558 15.723 1.672 1.00 0.00 C ATOM 389 O CYS A 24 23.091 14.924 2.415 1.00 0.00 O ATOM 390 CB CYS A 24 21.376 17.954 1.429 1.00 0.00 C ATOM 391 SG CYS A 24 19.942 17.649 2.490 1.00 0.00 S ATOM 0 H CYS A 24 23.896 17.818 0.403 1.00 0.00 H new ATOM 0 HA CYS A 24 22.600 17.343 3.078 1.00 0.00 H new ATOM 0 HB2 CYS A 24 21.573 19.024 1.367 1.00 0.00 H new ATOM 0 HB3 CYS A 24 21.171 17.609 0.416 1.00 0.00 H new ATOM 396 N THR A 25 21.944 15.329 0.575 1.00 0.00 N ATOM 397 CA THR A 25 21.880 13.872 0.223 1.00 0.00 C ATOM 398 C THR A 25 21.707 13.048 1.503 1.00 0.00 C ATOM 399 O THR A 25 21.237 13.542 2.506 1.00 0.00 O ATOM 400 CB THR A 25 23.179 13.451 -0.475 1.00 0.00 C ATOM 401 OG1 THR A 25 24.104 12.981 0.496 1.00 0.00 O ATOM 402 CG2 THR A 25 23.782 14.645 -1.219 1.00 0.00 C ATOM 0 H THR A 25 21.486 15.954 -0.089 1.00 0.00 H new ATOM 0 HA THR A 25 21.036 13.699 -0.445 1.00 0.00 H new ATOM 0 HB THR A 25 22.962 12.657 -1.190 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.096 13.580 1.272 1.00 0.00 H new ATOM 0 HG21 THR A 25 24.704 14.338 -1.712 1.00 0.00 H new ATOM 0 HG22 THR A 25 23.073 15.004 -1.965 1.00 0.00 H new ATOM 0 HG23 THR A 25 23.998 15.444 -0.510 1.00 0.00 H new ATOM 410 N GLU A 26 22.093 11.801 1.482 1.00 0.00 N ATOM 411 CA GLU A 26 21.960 10.950 2.703 1.00 0.00 C ATOM 412 C GLU A 26 20.629 11.238 3.403 1.00 0.00 C ATOM 413 O GLU A 26 20.492 11.058 4.596 1.00 0.00 O ATOM 414 CB GLU A 26 23.114 11.256 3.661 1.00 0.00 C ATOM 415 CG GLU A 26 23.258 10.115 4.670 1.00 0.00 C ATOM 416 CD GLU A 26 24.735 9.919 5.011 1.00 0.00 C ATOM 417 OE1 GLU A 26 25.298 10.795 5.648 1.00 0.00 O ATOM 418 OE2 GLU A 26 25.280 8.896 4.629 1.00 0.00 O ATOM 0 H GLU A 26 22.496 11.332 0.671 1.00 0.00 H new ATOM 0 HA GLU A 26 21.989 9.900 2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 26 24.041 11.380 3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 26 22.928 12.195 4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 26 22.692 10.341 5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 26 22.844 9.195 4.256 1.00 0.00 H new ATOM 425 N LEU A 27 19.645 11.681 2.669 1.00 0.00 N ATOM 426 CA LEU A 27 18.322 11.977 3.284 1.00 0.00 C ATOM 427 C LEU A 27 17.670 10.682 3.731 1.00 0.00 C ATOM 428 O LEU A 27 16.787 10.661 4.562 1.00 0.00 O ATOM 429 CB LEU A 27 17.454 12.652 2.240 1.00 0.00 C ATOM 430 CG LEU A 27 17.799 14.149 2.085 1.00 0.00 C ATOM 431 CD1 LEU A 27 16.502 14.931 1.888 1.00 0.00 C ATOM 432 CD2 LEU A 27 18.507 14.706 3.325 1.00 0.00 C ATOM 0 H LEU A 27 19.702 11.851 1.665 1.00 0.00 H new ATOM 0 HA LEU A 27 18.444 12.628 4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 27 17.581 12.149 1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 27 16.405 12.548 2.518 1.00 0.00 H new ATOM 0 HG LEU A 27 18.468 14.252 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 27 16.730 15.991 1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.994 14.573 0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 27 15.856 14.787 2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.731 15.762 3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.859 14.594 4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 27 19.435 14.158 3.491 1.00 0.00 H new ATOM 444 N THR A 28 18.118 9.612 3.170 1.00 0.00 N ATOM 445 CA THR A 28 17.575 8.268 3.516 1.00 0.00 C ATOM 446 C THR A 28 16.220 8.059 2.851 1.00 0.00 C ATOM 447 O THR A 28 15.234 8.674 3.207 1.00 0.00 O ATOM 448 CB THR A 28 17.447 8.126 5.032 1.00 0.00 C ATOM 449 OG1 THR A 28 16.196 8.647 5.464 1.00 0.00 O ATOM 450 CG2 THR A 28 18.591 8.886 5.698 1.00 0.00 C ATOM 0 H THR A 28 18.857 9.602 2.467 1.00 0.00 H new ATOM 0 HA THR A 28 18.264 7.507 3.150 1.00 0.00 H new ATOM 0 HB THR A 28 17.498 7.073 5.309 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.862 9.287 4.802 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.509 8.791 6.781 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.544 8.471 5.368 1.00 0.00 H new ATOM 0 HG23 THR A 28 18.538 9.939 5.421 1.00 0.00 H new ATOM 458 N VAL A 29 16.168 7.184 1.883 1.00 0.00 N ATOM 459 CA VAL A 29 14.882 6.917 1.185 1.00 0.00 C ATOM 460 C VAL A 29 14.736 5.409 0.965 1.00 0.00 C ATOM 461 O VAL A 29 15.695 4.665 1.027 1.00 0.00 O ATOM 462 CB VAL A 29 14.842 7.656 -0.167 1.00 0.00 C ATOM 463 CG1 VAL A 29 13.933 8.889 -0.073 1.00 0.00 C ATOM 464 CG2 VAL A 29 16.241 8.119 -0.573 1.00 0.00 C ATOM 0 H VAL A 29 16.964 6.642 1.546 1.00 0.00 H new ATOM 0 HA VAL A 29 14.056 7.279 1.798 1.00 0.00 H new ATOM 0 HB VAL A 29 14.455 6.961 -0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 29 13.914 9.401 -1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.923 8.577 0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 29 14.316 9.566 0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.189 8.638 -1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 29 16.635 8.795 0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.898 7.254 -0.665 1.00 0.00 H new ATOM 474 N THR A 30 13.533 4.956 0.728 1.00 0.00 N ATOM 475 CA THR A 30 13.289 3.495 0.524 1.00 0.00 C ATOM 476 C THR A 30 14.438 2.864 -0.270 1.00 0.00 C ATOM 477 O THR A 30 14.793 3.319 -1.338 1.00 0.00 O ATOM 478 CB THR A 30 11.979 3.303 -0.243 1.00 0.00 C ATOM 479 OG1 THR A 30 10.955 4.070 0.374 1.00 0.00 O ATOM 480 CG2 THR A 30 11.590 1.824 -0.229 1.00 0.00 C ATOM 0 H THR A 30 12.700 5.541 0.666 1.00 0.00 H new ATOM 0 HA THR A 30 13.226 3.010 1.498 1.00 0.00 H new ATOM 0 HB THR A 30 12.109 3.632 -1.274 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.115 3.950 -0.117 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.657 1.688 -0.776 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.377 1.236 -0.702 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.459 1.492 0.801 1.00 0.00 H new ATOM 488 N ASP A 31 15.013 1.811 0.248 1.00 0.00 N ATOM 489 CA ASP A 31 16.131 1.137 -0.472 1.00 0.00 C ATOM 490 C ASP A 31 15.554 0.141 -1.478 1.00 0.00 C ATOM 491 O ASP A 31 15.483 -1.045 -1.221 1.00 0.00 O ATOM 492 CB ASP A 31 17.009 0.388 0.531 1.00 0.00 C ATOM 493 CG ASP A 31 18.336 0.016 -0.132 1.00 0.00 C ATOM 494 OD1 ASP A 31 18.669 0.631 -1.132 1.00 0.00 O ATOM 495 OD2 ASP A 31 18.998 -0.877 0.370 1.00 0.00 O ATOM 0 H ASP A 31 14.756 1.389 1.140 1.00 0.00 H new ATOM 0 HA ASP A 31 16.730 1.884 -0.993 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.190 1.010 1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.499 -0.511 0.877 1.00 0.00 H new ATOM 500 N ILE A 32 15.132 0.613 -2.617 1.00 0.00 N ATOM 501 CA ILE A 32 14.546 -0.307 -3.638 1.00 0.00 C ATOM 502 C ILE A 32 15.654 -0.974 -4.463 1.00 0.00 C ATOM 503 O ILE A 32 15.487 -1.233 -5.638 1.00 0.00 O ATOM 504 CB ILE A 32 13.652 0.506 -4.582 1.00 0.00 C ATOM 505 CG1 ILE A 32 14.514 1.546 -5.304 1.00 0.00 C ATOM 506 CG2 ILE A 32 12.578 1.218 -3.764 1.00 0.00 C ATOM 507 CD1 ILE A 32 14.157 1.556 -6.790 1.00 0.00 C ATOM 0 H ILE A 32 15.166 1.596 -2.888 1.00 0.00 H new ATOM 0 HA ILE A 32 13.969 -1.079 -3.128 1.00 0.00 H new ATOM 0 HB ILE A 32 13.179 -0.153 -5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.350 2.533 -4.872 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.571 1.313 -5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 32 11.939 1.798 -4.429 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.976 0.480 -3.234 1.00 0.00 H new ATOM 0 HG23 ILE A 32 13.052 1.885 -3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.769 2.295 -7.306 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.343 0.570 -7.216 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.104 1.810 -6.909 1.00 0.00 H new ATOM 519 N PHE A 33 16.784 -1.247 -3.873 1.00 0.00 N ATOM 520 CA PHE A 33 17.883 -1.886 -4.650 1.00 0.00 C ATOM 521 C PHE A 33 18.533 -3.017 -3.829 1.00 0.00 C ATOM 522 O PHE A 33 19.725 -3.237 -3.916 1.00 0.00 O ATOM 523 CB PHE A 33 18.935 -0.826 -4.977 1.00 0.00 C ATOM 524 CG PHE A 33 18.358 0.147 -5.981 1.00 0.00 C ATOM 525 CD1 PHE A 33 17.985 -0.304 -7.254 1.00 0.00 C ATOM 526 CD2 PHE A 33 18.186 1.493 -5.638 1.00 0.00 C ATOM 527 CE1 PHE A 33 17.442 0.590 -8.183 1.00 0.00 C ATOM 528 CE2 PHE A 33 17.642 2.388 -6.568 1.00 0.00 C ATOM 529 CZ PHE A 33 17.270 1.937 -7.841 1.00 0.00 C ATOM 0 H PHE A 33 16.994 -1.057 -2.893 1.00 0.00 H new ATOM 0 HA PHE A 33 17.476 -2.310 -5.568 1.00 0.00 H new ATOM 0 HB2 PHE A 33 19.233 -0.299 -4.071 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.831 -1.297 -5.381 1.00 0.00 H new ATOM 0 HD1 PHE A 33 18.117 -1.343 -7.518 1.00 0.00 H new ATOM 0 HD2 PHE A 33 18.473 1.841 -4.657 1.00 0.00 H new ATOM 0 HE1 PHE A 33 17.155 0.241 -9.164 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.509 3.427 -6.303 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.851 2.627 -8.558 1.00 0.00 H new ATOM 539 N ALA A 34 17.775 -3.742 -3.032 1.00 0.00 N ATOM 540 CA ALA A 34 18.387 -4.841 -2.235 1.00 0.00 C ATOM 541 C ALA A 34 17.306 -5.856 -1.855 1.00 0.00 C ATOM 542 O ALA A 34 16.971 -6.018 -0.699 1.00 0.00 O ATOM 543 CB ALA A 34 19.010 -4.262 -0.962 1.00 0.00 C ATOM 0 H ALA A 34 16.771 -3.616 -2.905 1.00 0.00 H new ATOM 0 HA ALA A 34 19.159 -5.333 -2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.458 -5.066 -0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 34 19.778 -3.537 -1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 34 18.238 -3.771 -0.370 1.00 0.00 H new ATOM 549 N ALA A 35 16.758 -6.542 -2.821 1.00 0.00 N ATOM 550 CA ALA A 35 15.699 -7.545 -2.514 1.00 0.00 C ATOM 551 C ALA A 35 15.189 -8.163 -3.817 1.00 0.00 C ATOM 552 O ALA A 35 14.165 -7.772 -4.342 1.00 0.00 O ATOM 553 CB ALA A 35 14.541 -6.856 -1.789 1.00 0.00 C ATOM 0 H ALA A 35 16.998 -6.451 -3.808 1.00 0.00 H new ATOM 0 HA ALA A 35 16.112 -8.328 -1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.766 -7.588 -1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.904 -6.415 -0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 35 14.127 -6.074 -2.425 1.00 0.00 H new ATOM 559 N SER A 36 15.894 -9.128 -4.343 1.00 0.00 N ATOM 560 CA SER A 36 15.448 -9.770 -5.611 1.00 0.00 C ATOM 561 C SER A 36 15.104 -8.690 -6.637 1.00 0.00 C ATOM 562 O SER A 36 14.077 -8.738 -7.285 1.00 0.00 O ATOM 563 CB SER A 36 14.210 -10.629 -5.342 1.00 0.00 C ATOM 564 OG SER A 36 13.046 -9.821 -5.422 1.00 0.00 O ATOM 0 H SER A 36 16.759 -9.499 -3.949 1.00 0.00 H new ATOM 0 HA SER A 36 16.249 -10.399 -5.999 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.153 -11.440 -6.068 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.280 -11.088 -4.356 1.00 0.00 H new ATOM 0 HG SER A 36 13.200 -8.977 -4.948 1.00 0.00 H new ATOM 570 N LYS A 37 15.957 -7.715 -6.792 1.00 0.00 N ATOM 571 CA LYS A 37 15.681 -6.632 -7.779 1.00 0.00 C ATOM 572 C LYS A 37 16.236 -7.037 -9.146 1.00 0.00 C ATOM 573 O LYS A 37 16.394 -6.218 -10.029 1.00 0.00 O ATOM 574 CB LYS A 37 16.354 -5.338 -7.317 1.00 0.00 C ATOM 575 CG LYS A 37 15.830 -4.167 -8.151 1.00 0.00 C ATOM 576 CD LYS A 37 16.963 -3.170 -8.401 1.00 0.00 C ATOM 577 CE LYS A 37 17.755 -3.595 -9.637 1.00 0.00 C ATOM 578 NZ LYS A 37 18.982 -4.327 -9.215 1.00 0.00 N ATOM 0 H LYS A 37 16.833 -7.621 -6.278 1.00 0.00 H new ATOM 0 HA LYS A 37 14.605 -6.474 -7.856 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.150 -5.166 -6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 37 17.436 -5.420 -7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.435 -4.531 -9.100 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.007 -3.676 -7.631 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.556 -2.169 -8.544 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.620 -3.126 -7.533 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.141 -4.231 -10.274 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.026 -2.719 -10.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.694 -4.276 -9.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.364 -3.894 -8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.746 -5.322 -9.029 1.00 0.00 H new ATOM 592 N ASN A 38 16.533 -8.294 -9.326 1.00 0.00 N ATOM 593 CA ASN A 38 17.080 -8.752 -10.636 1.00 0.00 C ATOM 594 C ASN A 38 15.931 -8.966 -11.624 1.00 0.00 C ATOM 595 O ASN A 38 16.123 -9.476 -12.710 1.00 0.00 O ATOM 596 CB ASN A 38 17.835 -10.068 -10.441 1.00 0.00 C ATOM 597 CG ASN A 38 19.242 -9.940 -11.026 1.00 0.00 C ATOM 598 OD1 ASN A 38 19.417 -9.959 -12.229 1.00 0.00 O ATOM 599 ND2 ASN A 38 20.262 -9.810 -10.221 1.00 0.00 N ATOM 0 H ASN A 38 16.421 -9.025 -8.623 1.00 0.00 H new ATOM 0 HA ASN A 38 17.760 -7.996 -11.029 1.00 0.00 H new ATOM 0 HB2 ASN A 38 17.891 -10.314 -9.381 1.00 0.00 H new ATOM 0 HB3 ASN A 38 17.300 -10.883 -10.929 1.00 0.00 H new ATOM 0 HD21 ASN A 38 21.204 -9.724 -10.602 1.00 0.00 H new ATOM 0 HD22 ASN A 38 20.116 -9.794 -9.212 1.00 0.00 H new ATOM 606 N THR A 39 14.738 -8.582 -11.260 1.00 0.00 N ATOM 607 CA THR A 39 13.582 -8.767 -12.183 1.00 0.00 C ATOM 608 C THR A 39 13.620 -7.694 -13.273 1.00 0.00 C ATOM 609 O THR A 39 14.560 -6.930 -13.374 1.00 0.00 O ATOM 610 CB THR A 39 12.276 -8.649 -11.392 1.00 0.00 C ATOM 611 OG1 THR A 39 11.199 -9.119 -12.189 1.00 0.00 O ATOM 612 CG2 THR A 39 12.033 -7.186 -11.015 1.00 0.00 C ATOM 0 H THR A 39 14.514 -8.149 -10.364 1.00 0.00 H new ATOM 0 HA THR A 39 13.639 -9.752 -12.645 1.00 0.00 H new ATOM 0 HB THR A 39 12.346 -9.248 -10.484 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.362 -9.046 -11.684 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.103 -7.105 -10.452 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.860 -6.826 -10.403 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.963 -6.584 -11.921 1.00 0.00 H new ATOM 620 N THR A 40 12.605 -7.630 -14.090 1.00 0.00 N ATOM 621 CA THR A 40 12.580 -6.609 -15.176 1.00 0.00 C ATOM 622 C THR A 40 13.004 -5.250 -14.613 1.00 0.00 C ATOM 623 O THR A 40 12.607 -4.866 -13.532 1.00 0.00 O ATOM 624 CB THR A 40 11.163 -6.505 -15.744 1.00 0.00 C ATOM 625 OG1 THR A 40 10.254 -7.157 -14.869 1.00 0.00 O ATOM 626 CG2 THR A 40 11.112 -7.167 -17.122 1.00 0.00 C ATOM 0 H THR A 40 11.790 -8.242 -14.052 1.00 0.00 H new ATOM 0 HA THR A 40 13.270 -6.904 -15.967 1.00 0.00 H new ATOM 0 HB THR A 40 10.887 -5.455 -15.839 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.346 -7.089 -15.231 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.102 -7.092 -17.525 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.809 -6.664 -17.793 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.389 -8.217 -17.032 1.00 0.00 H new ATOM 634 N GLU A 41 13.804 -4.521 -15.341 1.00 0.00 N ATOM 635 CA GLU A 41 14.247 -3.186 -14.847 1.00 0.00 C ATOM 636 C GLU A 41 13.019 -2.305 -14.618 1.00 0.00 C ATOM 637 O GLU A 41 12.923 -1.598 -13.636 1.00 0.00 O ATOM 638 CB GLU A 41 15.162 -2.530 -15.883 1.00 0.00 C ATOM 639 CG GLU A 41 16.254 -3.517 -16.296 1.00 0.00 C ATOM 640 CD GLU A 41 17.558 -3.165 -15.579 1.00 0.00 C ATOM 641 OE1 GLU A 41 18.235 -2.256 -16.035 1.00 0.00 O ATOM 642 OE2 GLU A 41 17.860 -3.807 -14.587 1.00 0.00 O ATOM 0 H GLU A 41 14.170 -4.791 -16.254 1.00 0.00 H new ATOM 0 HA GLU A 41 14.794 -3.305 -13.912 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.583 -2.226 -16.755 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.611 -1.627 -15.468 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.953 -4.534 -16.046 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.400 -3.483 -17.376 1.00 0.00 H new ATOM 649 N LYS A 42 12.074 -2.344 -15.518 1.00 0.00 N ATOM 650 CA LYS A 42 10.853 -1.510 -15.349 1.00 0.00 C ATOM 651 C LYS A 42 10.287 -1.724 -13.943 1.00 0.00 C ATOM 652 O LYS A 42 9.675 -0.844 -13.370 1.00 0.00 O ATOM 653 CB LYS A 42 9.807 -1.914 -16.390 1.00 0.00 C ATOM 654 CG LYS A 42 9.541 -3.419 -16.295 1.00 0.00 C ATOM 655 CD LYS A 42 8.048 -3.687 -16.484 1.00 0.00 C ATOM 656 CE LYS A 42 7.816 -4.360 -17.839 1.00 0.00 C ATOM 657 NZ LYS A 42 6.433 -4.065 -18.310 1.00 0.00 N ATOM 0 H LYS A 42 12.096 -2.917 -16.362 1.00 0.00 H new ATOM 0 HA LYS A 42 11.107 -0.459 -15.485 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.883 -1.360 -16.225 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.157 -1.659 -17.390 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.115 -3.949 -17.055 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.869 -3.796 -15.327 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.678 -4.325 -15.681 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.490 -2.752 -16.431 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.544 -3.999 -18.566 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.960 -5.437 -17.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.275 -4.522 -19.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.746 -4.430 -17.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.312 -3.037 -18.409 1.00 0.00 H new ATOM 671 N GLU A 43 10.484 -2.887 -13.383 1.00 0.00 N ATOM 672 CA GLU A 43 9.956 -3.156 -12.015 1.00 0.00 C ATOM 673 C GLU A 43 10.696 -2.285 -10.998 1.00 0.00 C ATOM 674 O GLU A 43 10.094 -1.690 -10.126 1.00 0.00 O ATOM 675 CB GLU A 43 10.159 -4.631 -11.669 1.00 0.00 C ATOM 676 CG GLU A 43 9.560 -4.920 -10.290 1.00 0.00 C ATOM 677 CD GLU A 43 10.685 -5.130 -9.277 1.00 0.00 C ATOM 678 OE1 GLU A 43 11.498 -4.233 -9.130 1.00 0.00 O ATOM 679 OE2 GLU A 43 10.716 -6.186 -8.666 1.00 0.00 O ATOM 0 H GLU A 43 10.988 -3.662 -13.814 1.00 0.00 H new ATOM 0 HA GLU A 43 8.892 -2.920 -11.986 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.685 -5.261 -12.422 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.222 -4.874 -11.674 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.925 -4.091 -9.977 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.928 -5.807 -10.335 1.00 0.00 H new ATOM 686 N THR A 44 11.995 -2.195 -11.101 1.00 0.00 N ATOM 687 CA THR A 44 12.747 -1.345 -10.130 1.00 0.00 C ATOM 688 C THR A 44 12.251 0.087 -10.267 1.00 0.00 C ATOM 689 O THR A 44 12.265 0.862 -9.334 1.00 0.00 O ATOM 690 CB THR A 44 14.262 -1.404 -10.398 1.00 0.00 C ATOM 691 OG1 THR A 44 14.953 -0.902 -9.263 1.00 0.00 O ATOM 692 CG2 THR A 44 14.615 -0.550 -11.621 1.00 0.00 C ATOM 0 H THR A 44 12.563 -2.666 -11.805 1.00 0.00 H new ATOM 0 HA THR A 44 12.576 -1.714 -9.119 1.00 0.00 H new ATOM 0 HB THR A 44 14.553 -2.437 -10.589 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.069 0.067 -9.353 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.689 -0.599 -11.801 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.083 -0.927 -12.494 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.325 0.485 -11.438 1.00 0.00 H new ATOM 700 N PHE A 45 11.814 0.431 -11.436 1.00 0.00 N ATOM 701 CA PHE A 45 11.301 1.807 -11.684 1.00 0.00 C ATOM 702 C PHE A 45 9.968 1.995 -10.960 1.00 0.00 C ATOM 703 O PHE A 45 9.614 3.087 -10.567 1.00 0.00 O ATOM 704 CB PHE A 45 11.105 2.010 -13.183 1.00 0.00 C ATOM 705 CG PHE A 45 12.473 2.075 -13.877 1.00 0.00 C ATOM 706 CD1 PHE A 45 13.660 1.834 -13.149 1.00 0.00 C ATOM 707 CD2 PHE A 45 12.567 2.366 -15.251 1.00 0.00 C ATOM 708 CE1 PHE A 45 14.904 1.886 -13.787 1.00 0.00 C ATOM 709 CE2 PHE A 45 13.817 2.415 -15.881 1.00 0.00 C ATOM 710 CZ PHE A 45 14.982 2.176 -15.148 1.00 0.00 C ATOM 0 H PHE A 45 11.788 -0.188 -12.246 1.00 0.00 H new ATOM 0 HA PHE A 45 12.018 2.537 -11.309 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.514 1.193 -13.597 1.00 0.00 H new ATOM 0 HB3 PHE A 45 10.549 2.929 -13.366 1.00 0.00 H new ATOM 0 HD1 PHE A 45 13.607 1.608 -12.094 1.00 0.00 H new ATOM 0 HD2 PHE A 45 11.670 2.553 -15.823 1.00 0.00 H new ATOM 0 HE1 PHE A 45 15.806 1.701 -13.223 1.00 0.00 H new ATOM 0 HE2 PHE A 45 13.880 2.638 -16.936 1.00 0.00 H new ATOM 0 HZ PHE A 45 15.944 2.216 -15.637 1.00 0.00 H new ATOM 720 N CYS A 46 9.219 0.938 -10.791 1.00 0.00 N ATOM 721 CA CYS A 46 7.901 1.061 -10.102 1.00 0.00 C ATOM 722 C CYS A 46 8.113 1.404 -8.626 1.00 0.00 C ATOM 723 O CYS A 46 7.535 2.336 -8.106 1.00 0.00 O ATOM 724 CB CYS A 46 7.152 -0.263 -10.197 1.00 0.00 C ATOM 725 SG CYS A 46 5.493 0.017 -10.858 1.00 0.00 S ATOM 0 H CYS A 46 9.462 -0.003 -11.099 1.00 0.00 H new ATOM 0 HA CYS A 46 7.324 1.852 -10.581 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.697 -0.954 -10.839 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.088 -0.726 -9.212 1.00 0.00 H new ATOM 730 N ARG A 47 8.935 0.654 -7.947 1.00 0.00 N ATOM 731 CA ARG A 47 9.186 0.929 -6.503 1.00 0.00 C ATOM 732 C ARG A 47 10.010 2.210 -6.344 1.00 0.00 C ATOM 733 O ARG A 47 9.858 2.946 -5.389 1.00 0.00 O ATOM 734 CB ARG A 47 9.958 -0.242 -5.894 1.00 0.00 C ATOM 735 CG ARG A 47 9.738 -0.269 -4.380 1.00 0.00 C ATOM 736 CD ARG A 47 10.156 -1.634 -3.829 1.00 0.00 C ATOM 737 NE ARG A 47 11.336 -2.135 -4.588 1.00 0.00 N ATOM 738 CZ ARG A 47 11.567 -3.417 -4.663 1.00 0.00 C ATOM 739 NH1 ARG A 47 12.050 -4.055 -3.632 1.00 0.00 N ATOM 740 NH2 ARG A 47 11.316 -4.061 -5.771 1.00 0.00 N ATOM 0 H ARG A 47 9.446 -0.141 -8.331 1.00 0.00 H new ATOM 0 HA ARG A 47 8.230 1.053 -5.994 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.624 -1.180 -6.337 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.021 -0.145 -6.116 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.318 0.521 -3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.690 -0.077 -4.150 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.400 -1.552 -2.770 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.330 -2.340 -3.912 1.00 0.00 H new ATOM 0 HE ARG A 47 11.963 -1.476 -5.049 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.247 -3.551 -2.767 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.230 -5.057 -3.691 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.940 -3.562 -6.577 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.496 -5.063 -5.830 1.00 0.00 H new ATOM 754 N ALA A 48 10.898 2.465 -7.261 1.00 0.00 N ATOM 755 CA ALA A 48 11.760 3.689 -7.149 1.00 0.00 C ATOM 756 C ALA A 48 10.943 4.943 -7.387 1.00 0.00 C ATOM 757 O ALA A 48 11.170 5.979 -6.796 1.00 0.00 O ATOM 758 CB ALA A 48 12.909 3.646 -8.167 1.00 0.00 C ATOM 0 H ALA A 48 11.070 1.886 -8.083 1.00 0.00 H new ATOM 0 HA ALA A 48 12.172 3.707 -6.140 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.519 4.544 -8.066 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.525 2.766 -7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.500 3.598 -9.176 1.00 0.00 H new ATOM 764 N ALA A 49 10.007 4.853 -8.255 1.00 0.00 N ATOM 765 CA ALA A 49 9.161 6.033 -8.572 1.00 0.00 C ATOM 766 C ALA A 49 8.251 6.341 -7.386 1.00 0.00 C ATOM 767 O ALA A 49 7.900 7.477 -7.139 1.00 0.00 O ATOM 768 CB ALA A 49 8.314 5.730 -9.808 1.00 0.00 C ATOM 0 H ALA A 49 9.777 4.005 -8.774 1.00 0.00 H new ATOM 0 HA ALA A 49 9.796 6.897 -8.771 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.692 6.594 -10.043 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.968 5.512 -10.653 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.677 4.868 -9.610 1.00 0.00 H new ATOM 774 N THR A 50 7.870 5.341 -6.649 1.00 0.00 N ATOM 775 CA THR A 50 6.987 5.586 -5.482 1.00 0.00 C ATOM 776 C THR A 50 7.754 6.390 -4.431 1.00 0.00 C ATOM 777 O THR A 50 7.239 7.331 -3.861 1.00 0.00 O ATOM 778 CB THR A 50 6.547 4.248 -4.882 1.00 0.00 C ATOM 779 OG1 THR A 50 6.273 3.330 -5.931 1.00 0.00 O ATOM 780 CG2 THR A 50 5.288 4.454 -4.038 1.00 0.00 C ATOM 0 H THR A 50 8.131 4.367 -6.803 1.00 0.00 H new ATOM 0 HA THR A 50 6.107 6.145 -5.800 1.00 0.00 H new ATOM 0 HB THR A 50 7.342 3.852 -4.250 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.993 2.472 -5.550 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.976 3.501 -3.612 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.500 5.159 -3.234 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.490 4.849 -4.666 1.00 0.00 H new ATOM 788 N VAL A 51 8.978 6.023 -4.159 1.00 0.00 N ATOM 789 CA VAL A 51 9.757 6.768 -3.133 1.00 0.00 C ATOM 790 C VAL A 51 10.138 8.163 -3.651 1.00 0.00 C ATOM 791 O VAL A 51 9.899 9.146 -2.986 1.00 0.00 O ATOM 792 CB VAL A 51 11.007 5.961 -2.747 1.00 0.00 C ATOM 793 CG1 VAL A 51 12.166 6.279 -3.695 1.00 0.00 C ATOM 794 CG2 VAL A 51 11.412 6.313 -1.315 1.00 0.00 C ATOM 0 H VAL A 51 9.468 5.245 -4.600 1.00 0.00 H new ATOM 0 HA VAL A 51 9.141 6.903 -2.244 1.00 0.00 H new ATOM 0 HB VAL A 51 10.777 4.898 -2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.042 5.698 -3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.882 6.023 -4.716 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.401 7.342 -3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.298 5.743 -1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.631 7.379 -1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.596 6.069 -0.635 1.00 0.00 H new ATOM 804 N LEU A 52 10.716 8.279 -4.821 1.00 0.00 N ATOM 805 CA LEU A 52 11.069 9.651 -5.306 1.00 0.00 C ATOM 806 C LEU A 52 9.833 10.544 -5.198 1.00 0.00 C ATOM 807 O LEU A 52 9.934 11.735 -4.976 1.00 0.00 O ATOM 808 CB LEU A 52 11.536 9.621 -6.766 1.00 0.00 C ATOM 809 CG LEU A 52 13.061 9.677 -6.811 1.00 0.00 C ATOM 810 CD1 LEU A 52 13.581 8.673 -7.837 1.00 0.00 C ATOM 811 CD2 LEU A 52 13.507 11.083 -7.207 1.00 0.00 C ATOM 0 H LEU A 52 10.954 7.509 -5.446 1.00 0.00 H new ATOM 0 HA LEU A 52 11.883 10.038 -4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 52 11.180 8.714 -7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.114 10.465 -7.312 1.00 0.00 H new ATOM 0 HG LEU A 52 13.461 9.430 -5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.670 8.715 -7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 52 13.264 7.669 -7.556 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.181 8.918 -8.821 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.596 11.124 -7.239 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.105 11.329 -8.190 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.139 11.801 -6.475 1.00 0.00 H new ATOM 823 N ARG A 53 8.667 9.978 -5.347 1.00 0.00 N ATOM 824 CA ARG A 53 7.429 10.796 -5.247 1.00 0.00 C ATOM 825 C ARG A 53 7.326 11.379 -3.839 1.00 0.00 C ATOM 826 O ARG A 53 7.121 12.563 -3.659 1.00 0.00 O ATOM 827 CB ARG A 53 6.209 9.913 -5.525 1.00 0.00 C ATOM 828 CG ARG A 53 4.929 10.722 -5.306 1.00 0.00 C ATOM 829 CD ARG A 53 3.848 9.815 -4.714 1.00 0.00 C ATOM 830 NE ARG A 53 2.561 10.561 -4.635 1.00 0.00 N ATOM 831 CZ ARG A 53 1.537 10.036 -4.020 1.00 0.00 C ATOM 832 NH1 ARG A 53 1.141 8.831 -4.328 1.00 0.00 N ATOM 833 NH2 ARG A 53 0.910 10.714 -3.100 1.00 0.00 N ATOM 0 H ARG A 53 8.520 8.986 -5.533 1.00 0.00 H new ATOM 0 HA ARG A 53 7.463 11.604 -5.977 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.244 9.539 -6.548 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.219 9.044 -4.867 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.125 11.558 -4.635 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.587 11.145 -6.251 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.727 8.925 -5.331 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.146 9.477 -3.722 1.00 0.00 H new ATOM 0 HE ARG A 53 2.480 11.484 -5.062 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.632 8.301 -5.048 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.341 8.419 -3.848 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.220 11.656 -2.860 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.110 10.303 -2.620 1.00 0.00 H new ATOM 847 N GLN A 54 7.468 10.556 -2.835 1.00 0.00 N ATOM 848 CA GLN A 54 7.378 11.065 -1.436 1.00 0.00 C ATOM 849 C GLN A 54 8.545 12.007 -1.130 1.00 0.00 C ATOM 850 O GLN A 54 8.462 12.865 -0.277 1.00 0.00 O ATOM 851 CB GLN A 54 7.381 9.884 -0.453 1.00 0.00 C ATOM 852 CG GLN A 54 8.799 9.330 -0.313 1.00 0.00 C ATOM 853 CD GLN A 54 9.334 9.645 1.084 1.00 0.00 C ATOM 854 OE1 GLN A 54 8.606 10.115 1.935 1.00 0.00 O ATOM 855 NE2 GLN A 54 10.587 9.404 1.360 1.00 0.00 N ATOM 0 H GLN A 54 7.642 9.555 -2.923 1.00 0.00 H new ATOM 0 HA GLN A 54 6.448 11.623 -1.325 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.010 10.207 0.519 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.709 9.102 -0.807 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.798 8.253 -0.479 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.449 9.769 -1.070 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.200 9.009 0.646 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.953 9.610 2.289 1.00 0.00 H new ATOM 864 N PHE A 55 9.635 11.817 -1.792 1.00 0.00 N ATOM 865 CA PHE A 55 10.841 12.655 -1.534 1.00 0.00 C ATOM 866 C PHE A 55 10.638 14.096 -2.024 1.00 0.00 C ATOM 867 O PHE A 55 10.850 15.034 -1.281 1.00 0.00 O ATOM 868 CB PHE A 55 12.034 12.020 -2.262 1.00 0.00 C ATOM 869 CG PHE A 55 13.316 12.536 -1.670 1.00 0.00 C ATOM 870 CD1 PHE A 55 13.611 12.291 -0.325 1.00 0.00 C ATOM 871 CD2 PHE A 55 14.210 13.260 -2.465 1.00 0.00 C ATOM 872 CE1 PHE A 55 14.801 12.771 0.226 1.00 0.00 C ATOM 873 CE2 PHE A 55 15.402 13.740 -1.913 1.00 0.00 C ATOM 874 CZ PHE A 55 15.697 13.495 -0.568 1.00 0.00 C ATOM 0 H PHE A 55 9.754 11.107 -2.515 1.00 0.00 H new ATOM 0 HA PHE A 55 11.023 12.696 -0.460 1.00 0.00 H new ATOM 0 HB2 PHE A 55 11.991 10.934 -2.174 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.992 12.255 -3.325 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.919 11.731 0.287 1.00 0.00 H new ATOM 0 HD2 PHE A 55 13.980 13.448 -3.503 1.00 0.00 H new ATOM 0 HE1 PHE A 55 15.030 12.583 1.265 1.00 0.00 H new ATOM 0 HE2 PHE A 55 16.094 14.299 -2.525 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.618 13.865 -0.142 1.00 0.00 H new ATOM 884 N TYR A 56 10.236 14.301 -3.252 1.00 0.00 N ATOM 885 CA TYR A 56 10.045 15.709 -3.720 1.00 0.00 C ATOM 886 C TYR A 56 8.783 16.332 -3.077 1.00 0.00 C ATOM 887 O TYR A 56 8.798 17.493 -2.715 1.00 0.00 O ATOM 888 CB TYR A 56 9.969 15.785 -5.258 1.00 0.00 C ATOM 889 CG TYR A 56 8.616 15.364 -5.768 1.00 0.00 C ATOM 890 CD1 TYR A 56 7.527 16.229 -5.646 1.00 0.00 C ATOM 891 CD2 TYR A 56 8.459 14.118 -6.388 1.00 0.00 C ATOM 892 CE1 TYR A 56 6.273 15.849 -6.138 1.00 0.00 C ATOM 893 CE2 TYR A 56 7.207 13.737 -6.881 1.00 0.00 C ATOM 894 CZ TYR A 56 6.112 14.602 -6.755 1.00 0.00 C ATOM 895 OH TYR A 56 4.877 14.229 -7.243 1.00 0.00 O ATOM 0 H TYR A 56 10.035 13.574 -3.938 1.00 0.00 H new ATOM 0 HA TYR A 56 10.914 16.286 -3.403 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.180 16.804 -5.583 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.737 15.146 -5.693 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.652 17.191 -5.172 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.304 13.452 -6.485 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.430 16.517 -6.042 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.084 12.776 -7.359 1.00 0.00 H new ATOM 0 HH TYR A 56 4.946 13.349 -7.669 1.00 0.00 H new ATOM 905 N SER A 57 7.684 15.602 -2.920 1.00 0.00 N ATOM 906 CA SER A 57 6.482 16.231 -2.298 1.00 0.00 C ATOM 907 C SER A 57 6.753 16.477 -0.813 1.00 0.00 C ATOM 908 O SER A 57 6.552 17.560 -0.300 1.00 0.00 O ATOM 909 CB SER A 57 5.280 15.300 -2.452 1.00 0.00 C ATOM 910 OG SER A 57 4.080 16.057 -2.378 1.00 0.00 O ATOM 0 H SER A 57 7.581 14.624 -3.192 1.00 0.00 H new ATOM 0 HA SER A 57 6.268 17.179 -2.792 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.333 14.775 -3.406 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.292 14.541 -1.670 1.00 0.00 H new ATOM 0 HG SER A 57 3.310 15.460 -2.479 1.00 0.00 H new ATOM 916 N HIS A 58 7.213 15.474 -0.124 1.00 0.00 N ATOM 917 CA HIS A 58 7.509 15.620 1.328 1.00 0.00 C ATOM 918 C HIS A 58 8.656 16.618 1.519 1.00 0.00 C ATOM 919 O HIS A 58 8.758 17.271 2.537 1.00 0.00 O ATOM 920 CB HIS A 58 7.913 14.264 1.909 1.00 0.00 C ATOM 921 CG HIS A 58 7.597 14.236 3.379 1.00 0.00 C ATOM 922 ND1 HIS A 58 8.549 14.521 4.345 1.00 0.00 N ATOM 923 CD2 HIS A 58 6.439 13.961 4.062 1.00 0.00 C ATOM 924 CE1 HIS A 58 7.953 14.411 5.546 1.00 0.00 C ATOM 925 NE2 HIS A 58 6.666 14.072 5.432 1.00 0.00 N ATOM 0 H HIS A 58 7.399 14.548 -0.508 1.00 0.00 H new ATOM 0 HA HIS A 58 6.620 15.984 1.842 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.381 13.463 1.396 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.978 14.091 1.751 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.495 13.699 3.607 1.00 0.00 H new ATOM 0 HE1 HIS A 58 8.454 14.577 6.488 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.994 13.926 6.186 1.00 0.00 H new ATOM 933 N HIS A 59 9.525 16.727 0.554 1.00 0.00 N ATOM 934 CA HIS A 59 10.677 17.687 0.709 1.00 0.00 C ATOM 935 C HIS A 59 10.118 19.031 1.148 1.00 0.00 C ATOM 936 O HIS A 59 10.680 19.710 1.983 1.00 0.00 O ATOM 937 CB HIS A 59 11.464 17.918 -0.603 1.00 0.00 C ATOM 938 CG HIS A 59 12.807 17.234 -0.527 1.00 0.00 C ATOM 939 ND1 HIS A 59 13.959 17.846 -0.997 1.00 0.00 N ATOM 940 CD2 HIS A 59 13.208 16.010 -0.036 1.00 0.00 C ATOM 941 CE1 HIS A 59 14.984 17.003 -0.783 1.00 0.00 C ATOM 942 NE2 HIS A 59 14.582 15.872 -0.200 1.00 0.00 N ATOM 0 H HIS A 59 9.498 16.208 -0.324 1.00 0.00 H new ATOM 0 HA HIS A 59 11.362 17.251 1.436 1.00 0.00 H new ATOM 0 HB2 HIS A 59 10.897 17.531 -1.450 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.600 18.986 -0.772 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.556 15.272 0.408 1.00 0.00 H new ATOM 0 HE1 HIS A 59 16.009 17.215 -1.050 1.00 0.00 H new ATOM 0 HE2 HIS A 59 15.160 15.075 0.068 1.00 0.00 H new ATOM 950 N GLU A 60 9.014 19.417 0.579 1.00 0.00 N ATOM 951 CA GLU A 60 8.401 20.725 0.947 1.00 0.00 C ATOM 952 C GLU A 60 8.479 20.901 2.463 1.00 0.00 C ATOM 953 O GLU A 60 8.923 21.919 2.959 1.00 0.00 O ATOM 954 CB GLU A 60 6.947 20.749 0.480 1.00 0.00 C ATOM 955 CG GLU A 60 6.917 20.737 -1.052 1.00 0.00 C ATOM 956 CD GLU A 60 5.834 21.695 -1.551 1.00 0.00 C ATOM 957 OE1 GLU A 60 6.029 22.893 -1.434 1.00 0.00 O ATOM 958 OE2 GLU A 60 4.825 21.213 -2.041 1.00 0.00 O ATOM 0 H GLU A 60 8.506 18.884 -0.127 1.00 0.00 H new ATOM 0 HA GLU A 60 8.937 21.543 0.466 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.410 19.886 0.874 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.444 21.638 0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.889 21.033 -1.447 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.719 19.728 -1.414 1.00 0.00 H new ATOM 965 N LYS A 61 8.086 19.903 3.203 1.00 0.00 N ATOM 966 CA LYS A 61 8.172 19.989 4.681 1.00 0.00 C ATOM 967 C LYS A 61 9.204 18.964 5.144 1.00 0.00 C ATOM 968 O LYS A 61 8.895 17.813 5.378 1.00 0.00 O ATOM 969 CB LYS A 61 6.808 19.679 5.303 1.00 0.00 C ATOM 970 CG LYS A 61 5.759 20.635 4.731 1.00 0.00 C ATOM 971 CD LYS A 61 4.536 20.663 5.649 1.00 0.00 C ATOM 972 CE LYS A 61 3.556 21.729 5.159 1.00 0.00 C ATOM 973 NZ LYS A 61 2.374 21.772 6.066 1.00 0.00 N ATOM 0 H LYS A 61 7.707 19.027 2.842 1.00 0.00 H new ATOM 0 HA LYS A 61 8.466 20.992 4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.527 18.647 5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.858 19.783 6.387 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.178 21.637 4.636 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.468 20.315 3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.053 19.686 5.659 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.841 20.878 6.673 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.044 22.703 5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.238 21.506 4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.707 22.497 5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.904 20.844 6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.685 22.005 7.031 1.00 0.00 H new ATOM 987 N ASP A 62 10.434 19.374 5.254 1.00 0.00 N ATOM 988 CA ASP A 62 11.506 18.444 5.675 1.00 0.00 C ATOM 989 C ASP A 62 12.734 19.283 5.975 1.00 0.00 C ATOM 990 O ASP A 62 13.847 18.944 5.627 1.00 0.00 O ATOM 991 CB ASP A 62 11.798 17.454 4.556 1.00 0.00 C ATOM 992 CG ASP A 62 12.414 16.183 5.142 1.00 0.00 C ATOM 993 OD1 ASP A 62 11.997 15.788 6.219 1.00 0.00 O ATOM 994 OD2 ASP A 62 13.292 15.625 4.504 1.00 0.00 O ATOM 0 H ASP A 62 10.743 20.328 5.067 1.00 0.00 H new ATOM 0 HA ASP A 62 11.209 17.875 6.556 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.879 17.212 4.022 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.480 17.900 3.831 1.00 0.00 H new ATOM 999 N THR A 63 12.503 20.396 6.618 1.00 0.00 N ATOM 1000 CA THR A 63 13.609 21.334 6.979 1.00 0.00 C ATOM 1001 C THR A 63 14.864 20.539 7.310 1.00 0.00 C ATOM 1002 O THR A 63 15.967 20.982 7.074 1.00 0.00 O ATOM 1003 CB THR A 63 13.193 22.164 8.197 1.00 0.00 C ATOM 1004 OG1 THR A 63 14.327 22.844 8.713 1.00 0.00 O ATOM 1005 CG2 THR A 63 12.617 21.240 9.272 1.00 0.00 C ATOM 0 H THR A 63 11.576 20.702 6.915 1.00 0.00 H new ATOM 0 HA THR A 63 13.813 21.997 6.138 1.00 0.00 H new ATOM 0 HB THR A 63 12.436 22.891 7.902 1.00 0.00 H new ATOM 0 HG1 THR A 63 14.063 23.377 9.492 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.321 21.831 10.139 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.747 20.718 8.875 1.00 0.00 H new ATOM 0 HG23 THR A 63 13.372 20.513 9.569 1.00 0.00 H new ATOM 1013 N ARG A 64 14.694 19.363 7.846 1.00 0.00 N ATOM 1014 CA ARG A 64 15.865 18.509 8.186 1.00 0.00 C ATOM 1015 C ARG A 64 16.775 18.422 6.963 1.00 0.00 C ATOM 1016 O ARG A 64 16.638 17.554 6.126 1.00 0.00 O ATOM 1017 CB ARG A 64 15.385 17.107 8.570 1.00 0.00 C ATOM 1018 CG ARG A 64 15.593 16.893 10.070 1.00 0.00 C ATOM 1019 CD ARG A 64 14.961 15.566 10.491 1.00 0.00 C ATOM 1020 NE ARG A 64 14.267 15.738 11.798 1.00 0.00 N ATOM 1021 CZ ARG A 64 13.090 15.207 11.988 1.00 0.00 C ATOM 1022 NH1 ARG A 64 12.150 15.366 11.097 1.00 0.00 N ATOM 1023 NH2 ARG A 64 12.854 14.517 13.069 1.00 0.00 N ATOM 0 H ARG A 64 13.786 18.954 8.065 1.00 0.00 H new ATOM 0 HA ARG A 64 16.409 18.940 9.026 1.00 0.00 H new ATOM 0 HB2 ARG A 64 14.331 16.989 8.317 1.00 0.00 H new ATOM 0 HB3 ARG A 64 15.935 16.355 8.004 1.00 0.00 H new ATOM 0 HG2 ARG A 64 16.658 16.890 10.303 1.00 0.00 H new ATOM 0 HG3 ARG A 64 15.146 17.714 10.630 1.00 0.00 H new ATOM 0 HD2 ARG A 64 14.253 15.232 9.733 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.728 14.796 10.573 1.00 0.00 H new ATOM 0 HE ARG A 64 14.712 16.271 12.545 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.335 15.906 10.251 1.00 0.00 H new ATOM 0 HH12 ARG A 64 11.230 14.951 11.246 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.589 14.393 13.765 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.934 14.102 13.218 1.00 0.00 H new ATOM 1037 N CYS A 65 17.685 19.339 6.852 1.00 0.00 N ATOM 1038 CA CYS A 65 18.604 19.355 5.678 1.00 0.00 C ATOM 1039 C CYS A 65 17.842 19.883 4.459 1.00 0.00 C ATOM 1040 O CYS A 65 17.831 19.274 3.408 1.00 0.00 O ATOM 1041 CB CYS A 65 19.110 17.940 5.390 1.00 0.00 C ATOM 1042 SG CYS A 65 20.600 18.031 4.363 1.00 0.00 S ATOM 0 H CYS A 65 17.837 20.088 7.528 1.00 0.00 H new ATOM 0 HA CYS A 65 19.457 19.999 5.892 1.00 0.00 H new ATOM 0 HB2 CYS A 65 19.330 17.423 6.324 1.00 0.00 H new ATOM 0 HB3 CYS A 65 18.338 17.363 4.881 1.00 0.00 H new ATOM 1047 N LEU A 66 17.197 21.010 4.596 1.00 0.00 N ATOM 1048 CA LEU A 66 16.427 21.580 3.456 1.00 0.00 C ATOM 1049 C LEU A 66 16.338 23.102 3.620 1.00 0.00 C ATOM 1050 O LEU A 66 16.423 23.845 2.662 1.00 0.00 O ATOM 1051 CB LEU A 66 15.019 20.963 3.446 1.00 0.00 C ATOM 1052 CG LEU A 66 14.038 21.873 2.696 1.00 0.00 C ATOM 1053 CD1 LEU A 66 12.851 21.045 2.205 1.00 0.00 C ATOM 1054 CD2 LEU A 66 13.533 22.968 3.637 1.00 0.00 C ATOM 0 H LEU A 66 17.171 21.562 5.453 1.00 0.00 H new ATOM 0 HA LEU A 66 16.924 21.353 2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.049 19.982 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 66 14.675 20.812 4.469 1.00 0.00 H new ATOM 0 HG LEU A 66 14.546 22.328 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.153 21.690 1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.206 20.262 1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.346 20.591 3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.836 23.614 3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.026 22.512 4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.377 23.560 3.992 1.00 0.00 H new ATOM 1066 N GLY A 67 16.166 23.572 4.827 1.00 0.00 N ATOM 1067 CA GLY A 67 16.070 25.042 5.047 1.00 0.00 C ATOM 1068 C GLY A 67 17.408 25.564 5.626 1.00 0.00 C ATOM 1069 O GLY A 67 18.407 25.577 4.939 1.00 0.00 O ATOM 0 H GLY A 67 16.088 23.001 5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 67 15.846 25.547 4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 67 15.253 25.266 5.732 1.00 0.00 H new ATOM 1073 N ALA A 68 17.465 25.991 6.883 1.00 0.00 N ATOM 1074 CA ALA A 68 18.761 26.491 7.423 1.00 0.00 C ATOM 1075 C ALA A 68 19.222 27.708 6.613 1.00 0.00 C ATOM 1076 O ALA A 68 20.341 28.165 6.746 1.00 0.00 O ATOM 1077 CB ALA A 68 19.815 25.386 7.325 1.00 0.00 C ATOM 0 H ALA A 68 16.680 26.009 7.534 1.00 0.00 H new ATOM 0 HA ALA A 68 18.630 26.779 8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 68 20.763 25.751 7.720 1.00 0.00 H new ATOM 0 HB2 ALA A 68 19.490 24.521 7.903 1.00 0.00 H new ATOM 0 HB3 ALA A 68 19.944 25.097 6.282 1.00 0.00 H new ATOM 1083 N THR A 69 18.373 28.236 5.769 1.00 0.00 N ATOM 1084 CA THR A 69 18.761 29.414 4.945 1.00 0.00 C ATOM 1085 C THR A 69 17.695 29.636 3.864 1.00 0.00 C ATOM 1086 O THR A 69 17.421 28.746 3.087 1.00 0.00 O ATOM 1087 CB THR A 69 20.110 29.141 4.270 1.00 0.00 C ATOM 1088 OG1 THR A 69 20.413 27.758 4.360 1.00 0.00 O ATOM 1089 CG2 THR A 69 21.204 29.950 4.968 1.00 0.00 C ATOM 0 H THR A 69 17.423 27.898 5.616 1.00 0.00 H new ATOM 0 HA THR A 69 18.842 30.297 5.579 1.00 0.00 H new ATOM 0 HB THR A 69 20.057 29.433 3.221 1.00 0.00 H new ATOM 0 HG1 THR A 69 20.930 27.589 5.175 1.00 0.00 H new ATOM 0 HG21 THR A 69 22.163 29.755 4.488 1.00 0.00 H new ATOM 0 HG22 THR A 69 20.972 31.013 4.897 1.00 0.00 H new ATOM 0 HG23 THR A 69 21.258 29.659 6.017 1.00 0.00 H new ATOM 1097 N ALA A 70 17.089 30.803 3.778 1.00 0.00 N ATOM 1098 CA ALA A 70 16.073 31.004 2.715 1.00 0.00 C ATOM 1099 C ALA A 70 16.673 30.519 1.400 1.00 0.00 C ATOM 1100 O ALA A 70 15.973 30.080 0.508 1.00 0.00 O ATOM 1101 CB ALA A 70 15.722 32.489 2.612 1.00 0.00 C ATOM 0 H ALA A 70 17.256 31.603 4.389 1.00 0.00 H new ATOM 0 HA ALA A 70 15.163 30.449 2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 70 14.976 32.633 1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.321 32.835 3.565 1.00 0.00 H new ATOM 0 HB3 ALA A 70 16.618 33.059 2.367 1.00 0.00 H new ATOM 1107 N GLN A 71 17.973 30.581 1.277 1.00 0.00 N ATOM 1108 CA GLN A 71 18.618 30.102 0.022 1.00 0.00 C ATOM 1109 C GLN A 71 18.445 28.585 -0.060 1.00 0.00 C ATOM 1110 O GLN A 71 18.050 28.045 -1.073 1.00 0.00 O ATOM 1111 CB GLN A 71 20.109 30.453 0.034 1.00 0.00 C ATOM 1112 CG GLN A 71 20.638 30.486 -1.402 1.00 0.00 C ATOM 1113 CD GLN A 71 20.246 29.196 -2.124 1.00 0.00 C ATOM 1114 OE1 GLN A 71 20.765 28.138 -1.827 1.00 0.00 O ATOM 1115 NE2 GLN A 71 19.343 29.238 -3.066 1.00 0.00 N ATOM 0 H GLN A 71 18.611 30.940 1.987 1.00 0.00 H new ATOM 0 HA GLN A 71 18.155 30.580 -0.841 1.00 0.00 H new ATOM 0 HB2 GLN A 71 20.262 31.421 0.511 1.00 0.00 H new ATOM 0 HB3 GLN A 71 20.662 29.718 0.620 1.00 0.00 H new ATOM 0 HG2 GLN A 71 20.231 31.348 -1.930 1.00 0.00 H new ATOM 0 HG3 GLN A 71 21.722 30.597 -1.398 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.907 30.126 -3.315 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.073 28.383 -3.552 1.00 0.00 H new ATOM 1124 N GLN A 72 18.731 27.899 1.011 1.00 0.00 N ATOM 1125 CA GLN A 72 18.574 26.417 1.020 1.00 0.00 C ATOM 1126 C GLN A 72 17.139 26.064 0.629 1.00 0.00 C ATOM 1127 O GLN A 72 16.894 25.123 -0.102 1.00 0.00 O ATOM 1128 CB GLN A 72 18.852 25.894 2.430 1.00 0.00 C ATOM 1129 CG GLN A 72 20.360 25.833 2.666 1.00 0.00 C ATOM 1130 CD GLN A 72 20.996 24.858 1.674 1.00 0.00 C ATOM 1131 OE1 GLN A 72 20.382 23.886 1.281 1.00 0.00 O ATOM 1132 NE2 GLN A 72 22.209 25.079 1.249 1.00 0.00 N ATOM 0 H GLN A 72 19.068 28.303 1.885 1.00 0.00 H new ATOM 0 HA GLN A 72 19.271 25.966 0.314 1.00 0.00 H new ATOM 0 HB2 GLN A 72 18.384 26.545 3.169 1.00 0.00 H new ATOM 0 HB3 GLN A 72 18.414 24.904 2.554 1.00 0.00 H new ATOM 0 HG2 GLN A 72 20.797 26.825 2.548 1.00 0.00 H new ATOM 0 HG3 GLN A 72 20.566 25.514 3.688 1.00 0.00 H new ATOM 0 HE21 GLN A 72 22.724 25.895 1.579 1.00 0.00 H new ATOM 0 HE22 GLN A 72 22.642 24.436 0.587 1.00 0.00 H new ATOM 1141 N PHE A 73 16.187 26.811 1.118 1.00 0.00 N ATOM 1142 CA PHE A 73 14.765 26.526 0.787 1.00 0.00 C ATOM 1143 C PHE A 73 14.605 26.415 -0.732 1.00 0.00 C ATOM 1144 O PHE A 73 13.925 25.540 -1.230 1.00 0.00 O ATOM 1145 CB PHE A 73 13.882 27.661 1.321 1.00 0.00 C ATOM 1146 CG PHE A 73 12.434 27.355 1.022 1.00 0.00 C ATOM 1147 CD1 PHE A 73 11.725 26.461 1.831 1.00 0.00 C ATOM 1148 CD2 PHE A 73 11.801 27.969 -0.066 1.00 0.00 C ATOM 1149 CE1 PHE A 73 10.382 26.179 1.553 1.00 0.00 C ATOM 1150 CE2 PHE A 73 10.459 27.687 -0.345 1.00 0.00 C ATOM 1151 CZ PHE A 73 9.749 26.790 0.465 1.00 0.00 C ATOM 0 H PHE A 73 16.335 27.610 1.735 1.00 0.00 H new ATOM 0 HA PHE A 73 14.463 25.586 1.248 1.00 0.00 H new ATOM 0 HB2 PHE A 73 14.027 27.774 2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 73 14.168 28.606 0.860 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.214 25.988 2.670 1.00 0.00 H new ATOM 0 HD2 PHE A 73 12.349 28.660 -0.690 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.834 25.490 2.179 1.00 0.00 H new ATOM 0 HE2 PHE A 73 9.971 28.160 -1.184 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.714 26.571 0.249 1.00 0.00 H new ATOM 1161 N HIS A 74 15.218 27.299 -1.469 1.00 0.00 N ATOM 1162 CA HIS A 74 15.095 27.251 -2.954 1.00 0.00 C ATOM 1163 C HIS A 74 15.756 25.998 -3.504 1.00 0.00 C ATOM 1164 O HIS A 74 15.379 25.467 -4.527 1.00 0.00 O ATOM 1165 CB HIS A 74 15.783 28.474 -3.545 1.00 0.00 C ATOM 1166 CG HIS A 74 14.816 29.226 -4.415 1.00 0.00 C ATOM 1167 ND1 HIS A 74 13.741 28.607 -5.031 1.00 0.00 N ATOM 1168 CD2 HIS A 74 14.748 30.548 -4.782 1.00 0.00 C ATOM 1169 CE1 HIS A 74 13.077 29.546 -5.730 1.00 0.00 C ATOM 1170 NE2 HIS A 74 13.650 30.747 -5.612 1.00 0.00 N ATOM 0 H HIS A 74 15.800 28.054 -1.107 1.00 0.00 H new ATOM 0 HA HIS A 74 14.039 27.239 -3.222 1.00 0.00 H new ATOM 0 HB2 HIS A 74 16.147 29.120 -2.746 1.00 0.00 H new ATOM 0 HB3 HIS A 74 16.651 28.169 -4.129 1.00 0.00 H new ATOM 0 HD2 HIS A 74 15.442 31.316 -4.473 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.190 29.352 -6.315 1.00 0.00 H new ATOM 0 HE2 HIS A 74 13.347 31.622 -6.039 1.00 0.00 H new ATOM 1178 N ARG A 75 16.747 25.548 -2.831 1.00 0.00 N ATOM 1179 CA ARG A 75 17.490 24.333 -3.278 1.00 0.00 C ATOM 1180 C ARG A 75 16.592 23.097 -3.190 1.00 0.00 C ATOM 1181 O ARG A 75 16.491 22.330 -4.127 1.00 0.00 O ATOM 1182 CB ARG A 75 18.716 24.134 -2.387 1.00 0.00 C ATOM 1183 CG ARG A 75 19.985 24.378 -3.206 1.00 0.00 C ATOM 1184 CD ARG A 75 20.652 23.040 -3.526 1.00 0.00 C ATOM 1185 NE ARG A 75 22.073 23.074 -3.082 1.00 0.00 N ATOM 1186 CZ ARG A 75 23.016 23.370 -3.935 1.00 0.00 C ATOM 1187 NH1 ARG A 75 23.411 22.480 -4.803 1.00 0.00 N ATOM 1188 NH2 ARG A 75 23.564 24.553 -3.917 1.00 0.00 N ATOM 0 H ARG A 75 17.094 25.968 -1.969 1.00 0.00 H new ATOM 0 HA ARG A 75 17.801 24.470 -4.314 1.00 0.00 H new ATOM 0 HB2 ARG A 75 18.679 24.820 -1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 75 18.722 23.123 -1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 75 19.739 24.904 -4.129 1.00 0.00 H new ATOM 0 HG3 ARG A 75 20.673 25.015 -2.650 1.00 0.00 H new ATOM 0 HD2 ARG A 75 20.123 22.229 -3.025 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.599 22.842 -4.597 1.00 0.00 H new ATOM 0 HE ARG A 75 22.309 22.866 -2.112 1.00 0.00 H new ATOM 0 HH11 ARG A 75 22.983 21.554 -4.815 1.00 0.00 H new ATOM 0 HH12 ARG A 75 24.148 22.710 -5.470 1.00 0.00 H new ATOM 0 HH21 ARG A 75 23.256 25.247 -3.236 1.00 0.00 H new ATOM 0 HH22 ARG A 75 24.301 24.784 -4.584 1.00 0.00 H new ATOM 1202 N HIS A 76 15.946 22.884 -2.078 1.00 0.00 N ATOM 1203 CA HIS A 76 15.072 21.679 -1.958 1.00 0.00 C ATOM 1204 C HIS A 76 13.905 21.797 -2.944 1.00 0.00 C ATOM 1205 O HIS A 76 13.445 20.817 -3.488 1.00 0.00 O ATOM 1206 CB HIS A 76 14.550 21.538 -0.513 1.00 0.00 C ATOM 1207 CG HIS A 76 13.292 22.343 -0.320 1.00 0.00 C ATOM 1208 ND1 HIS A 76 12.112 22.042 -0.984 1.00 0.00 N ATOM 1209 CD2 HIS A 76 13.010 23.431 0.467 1.00 0.00 C ATOM 1210 CE1 HIS A 76 11.186 22.931 -0.587 1.00 0.00 C ATOM 1211 NE2 HIS A 76 11.679 23.801 0.298 1.00 0.00 N ATOM 0 H HIS A 76 15.983 23.484 -1.254 1.00 0.00 H new ATOM 0 HA HIS A 76 15.651 20.787 -2.197 1.00 0.00 H new ATOM 0 HB2 HIS A 76 14.353 20.489 -0.293 1.00 0.00 H new ATOM 0 HB3 HIS A 76 15.313 21.873 0.189 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.715 23.926 1.119 1.00 0.00 H new ATOM 0 HE1 HIS A 76 10.166 22.941 -0.941 1.00 0.00 H new ATOM 0 HE2 HIS A 76 11.187 24.570 0.752 1.00 0.00 H new ATOM 1219 N LYS A 77 13.419 22.987 -3.172 1.00 0.00 N ATOM 1220 CA LYS A 77 12.295 23.179 -4.102 1.00 0.00 C ATOM 1221 C LYS A 77 12.742 22.919 -5.549 1.00 0.00 C ATOM 1222 O LYS A 77 11.995 22.405 -6.354 1.00 0.00 O ATOM 1223 CB LYS A 77 11.868 24.626 -3.955 1.00 0.00 C ATOM 1224 CG LYS A 77 10.489 24.685 -3.314 1.00 0.00 C ATOM 1225 CD LYS A 77 9.943 26.113 -3.393 1.00 0.00 C ATOM 1226 CE LYS A 77 9.728 26.497 -4.858 1.00 0.00 C ATOM 1227 NZ LYS A 77 10.585 27.669 -5.194 1.00 0.00 N ATOM 0 H LYS A 77 13.767 23.843 -2.740 1.00 0.00 H new ATOM 0 HA LYS A 77 11.481 22.489 -3.878 1.00 0.00 H new ATOM 0 HB2 LYS A 77 12.589 25.169 -3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.848 25.112 -4.931 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.812 23.998 -3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 77 10.547 24.365 -2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.003 26.185 -2.845 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.640 26.807 -2.923 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.974 25.655 -5.506 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.679 26.738 -5.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.517 27.868 -6.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.263 28.500 -4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.573 27.459 -4.947 1.00 0.00 H new ATOM 1241 N GLN A 78 13.947 23.291 -5.882 1.00 0.00 N ATOM 1242 CA GLN A 78 14.448 23.095 -7.267 1.00 0.00 C ATOM 1243 C GLN A 78 14.684 21.614 -7.555 1.00 0.00 C ATOM 1244 O GLN A 78 14.256 21.090 -8.563 1.00 0.00 O ATOM 1245 CB GLN A 78 15.772 23.834 -7.396 1.00 0.00 C ATOM 1246 CG GLN A 78 15.704 24.821 -8.564 1.00 0.00 C ATOM 1247 CD GLN A 78 16.788 25.886 -8.395 1.00 0.00 C ATOM 1248 OE1 GLN A 78 17.934 25.662 -8.728 1.00 0.00 O ATOM 1249 NE2 GLN A 78 16.472 27.046 -7.889 1.00 0.00 N ATOM 0 H GLN A 78 14.612 23.728 -5.244 1.00 0.00 H new ATOM 0 HA GLN A 78 13.710 23.473 -7.974 1.00 0.00 H new ATOM 0 HB2 GLN A 78 15.993 24.366 -6.471 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.582 23.122 -7.556 1.00 0.00 H new ATOM 0 HG2 GLN A 78 15.841 24.294 -9.508 1.00 0.00 H new ATOM 0 HG3 GLN A 78 14.721 25.290 -8.601 1.00 0.00 H new ATOM 0 HE21 GLN A 78 15.510 27.235 -7.609 1.00 0.00 H new ATOM 0 HE22 GLN A 78 17.187 27.764 -7.773 1.00 0.00 H new ATOM 1258 N LEU A 79 15.388 20.947 -6.690 1.00 0.00 N ATOM 1259 CA LEU A 79 15.685 19.509 -6.917 1.00 0.00 C ATOM 1260 C LEU A 79 14.415 18.694 -6.782 1.00 0.00 C ATOM 1261 O LEU A 79 14.172 17.814 -7.565 1.00 0.00 O ATOM 1262 CB LEU A 79 16.727 19.025 -5.907 1.00 0.00 C ATOM 1263 CG LEU A 79 18.071 19.694 -6.201 1.00 0.00 C ATOM 1264 CD1 LEU A 79 18.378 20.722 -5.110 1.00 0.00 C ATOM 1265 CD2 LEU A 79 19.174 18.634 -6.228 1.00 0.00 C ATOM 0 H LEU A 79 15.773 21.338 -5.830 1.00 0.00 H new ATOM 0 HA LEU A 79 16.083 19.382 -7.924 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.404 19.263 -4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 79 16.828 17.941 -5.964 1.00 0.00 H new ATOM 0 HG LEU A 79 18.024 20.194 -7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 79 19.336 21.199 -5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 79 17.593 21.478 -5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 79 18.425 20.223 -4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 79 20.132 19.111 -6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.222 18.134 -5.261 1.00 0.00 H new ATOM 0 HD23 LEU A 79 18.956 17.901 -7.005 1.00 0.00 H new ATOM 1277 N ILE A 80 13.604 18.971 -5.807 1.00 0.00 N ATOM 1278 CA ILE A 80 12.340 18.194 -5.666 1.00 0.00 C ATOM 1279 C ILE A 80 11.476 18.443 -6.898 1.00 0.00 C ATOM 1280 O ILE A 80 10.802 17.566 -7.390 1.00 0.00 O ATOM 1281 CB ILE A 80 11.573 18.676 -4.437 1.00 0.00 C ATOM 1282 CG1 ILE A 80 11.228 20.151 -4.581 1.00 0.00 C ATOM 1283 CG2 ILE A 80 12.413 18.480 -3.179 1.00 0.00 C ATOM 1284 CD1 ILE A 80 9.821 20.258 -5.162 1.00 0.00 C ATOM 0 H ILE A 80 13.756 19.695 -5.105 1.00 0.00 H new ATOM 0 HA ILE A 80 12.574 17.134 -5.563 1.00 0.00 H new ATOM 0 HB ILE A 80 10.656 18.093 -4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 80 11.278 20.649 -3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 80 11.947 20.648 -5.233 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.854 18.828 -2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 80 12.648 17.422 -3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 80 13.338 19.050 -3.267 1.00 0.00 H new ATOM 0 HD11 ILE A 80 9.552 21.308 -5.274 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.792 19.770 -6.136 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.112 19.772 -4.491 1.00 0.00 H new ATOM 1296 N ARG A 81 11.499 19.639 -7.393 1.00 0.00 N ATOM 1297 CA ARG A 81 10.694 19.970 -8.603 1.00 0.00 C ATOM 1298 C ARG A 81 11.186 19.091 -9.744 1.00 0.00 C ATOM 1299 O ARG A 81 10.421 18.408 -10.395 1.00 0.00 O ATOM 1300 CB ARG A 81 10.896 21.441 -8.971 1.00 0.00 C ATOM 1301 CG ARG A 81 9.779 21.889 -9.917 1.00 0.00 C ATOM 1302 CD ARG A 81 10.173 21.566 -11.359 1.00 0.00 C ATOM 1303 NE ARG A 81 9.286 22.314 -12.294 1.00 0.00 N ATOM 1304 CZ ARG A 81 8.026 21.993 -12.394 1.00 0.00 C ATOM 1305 NH1 ARG A 81 7.146 22.556 -11.612 1.00 0.00 N ATOM 1306 NH2 ARG A 81 7.644 21.110 -13.275 1.00 0.00 N ATOM 0 H ARG A 81 12.044 20.413 -7.013 1.00 0.00 H new ATOM 0 HA ARG A 81 9.635 19.798 -8.413 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.893 22.056 -8.071 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.867 21.578 -9.447 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.847 21.385 -9.662 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.603 22.959 -9.808 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.214 21.838 -11.533 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.089 20.494 -11.539 1.00 0.00 H new ATOM 0 HE ARG A 81 9.664 23.077 -12.856 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.444 23.247 -10.923 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.160 22.305 -11.690 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.331 20.670 -13.887 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.658 20.860 -13.352 1.00 0.00 H new ATOM 1320 N PHE A 82 12.470 19.075 -9.965 1.00 0.00 N ATOM 1321 CA PHE A 82 13.030 18.217 -11.016 1.00 0.00 C ATOM 1322 C PHE A 82 12.762 16.772 -10.598 1.00 0.00 C ATOM 1323 O PHE A 82 12.580 15.897 -11.420 1.00 0.00 O ATOM 1324 CB PHE A 82 14.526 18.505 -11.121 1.00 0.00 C ATOM 1325 CG PHE A 82 14.753 19.638 -12.095 1.00 0.00 C ATOM 1326 CD1 PHE A 82 14.341 19.507 -13.427 1.00 0.00 C ATOM 1327 CD2 PHE A 82 15.374 20.817 -11.666 1.00 0.00 C ATOM 1328 CE1 PHE A 82 14.552 20.555 -14.330 1.00 0.00 C ATOM 1329 CE2 PHE A 82 15.584 21.866 -12.570 1.00 0.00 C ATOM 1330 CZ PHE A 82 15.172 21.734 -13.902 1.00 0.00 C ATOM 0 H PHE A 82 13.154 19.630 -9.451 1.00 0.00 H new ATOM 0 HA PHE A 82 12.582 18.400 -11.993 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.926 18.767 -10.142 1.00 0.00 H new ATOM 0 HB3 PHE A 82 15.057 17.613 -11.454 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.861 18.598 -13.757 1.00 0.00 H new ATOM 0 HD2 PHE A 82 15.691 20.918 -10.638 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.236 20.454 -15.358 1.00 0.00 H new ATOM 0 HE2 PHE A 82 16.063 22.776 -12.240 1.00 0.00 H new ATOM 0 HZ PHE A 82 15.333 22.543 -14.599 1.00 0.00 H new ATOM 1340 N LEU A 83 12.696 16.528 -9.310 1.00 0.00 N ATOM 1341 CA LEU A 83 12.395 15.164 -8.819 1.00 0.00 C ATOM 1342 C LEU A 83 10.966 14.817 -9.232 1.00 0.00 C ATOM 1343 O LEU A 83 10.618 13.676 -9.460 1.00 0.00 O ATOM 1344 CB LEU A 83 12.530 15.167 -7.294 1.00 0.00 C ATOM 1345 CG LEU A 83 13.996 14.962 -6.903 1.00 0.00 C ATOM 1346 CD1 LEU A 83 14.110 14.852 -5.381 1.00 0.00 C ATOM 1347 CD2 LEU A 83 14.534 13.674 -7.526 1.00 0.00 C ATOM 0 H LEU A 83 12.840 17.226 -8.581 1.00 0.00 H new ATOM 0 HA LEU A 83 13.079 14.425 -9.237 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.165 16.111 -6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.915 14.376 -6.864 1.00 0.00 H new ATOM 0 HG LEU A 83 14.574 15.812 -7.264 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.154 14.706 -5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 83 13.737 15.767 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.520 14.004 -5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.577 13.540 -7.240 1.00 0.00 H new ATOM 0 HD22 LEU A 83 13.949 12.826 -7.171 1.00 0.00 H new ATOM 0 HD23 LEU A 83 14.460 13.737 -8.612 1.00 0.00 H new ATOM 1359 N LYS A 84 10.153 15.823 -9.341 1.00 0.00 N ATOM 1360 CA LYS A 84 8.735 15.632 -9.754 1.00 0.00 C ATOM 1361 C LYS A 84 8.698 15.244 -11.224 1.00 0.00 C ATOM 1362 O LYS A 84 8.034 14.304 -11.606 1.00 0.00 O ATOM 1363 CB LYS A 84 7.958 16.933 -9.543 1.00 0.00 C ATOM 1364 CG LYS A 84 6.477 16.698 -9.849 1.00 0.00 C ATOM 1365 CD LYS A 84 5.845 17.998 -10.350 1.00 0.00 C ATOM 1366 CE LYS A 84 6.082 19.108 -9.323 1.00 0.00 C ATOM 1367 NZ LYS A 84 5.442 18.733 -8.030 1.00 0.00 N ATOM 0 H LYS A 84 10.414 16.792 -9.158 1.00 0.00 H new ATOM 0 HA LYS A 84 8.278 14.845 -9.154 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.078 17.278 -8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.355 17.715 -10.191 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.370 15.916 -10.601 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.961 16.352 -8.954 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.277 18.278 -11.311 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.776 17.858 -10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.151 19.264 -9.180 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.669 20.049 -9.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.393 19.568 -7.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.481 18.377 -8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.005 17.992 -7.566 1.00 0.00 H new ATOM 1381 N ARG A 85 9.421 15.937 -12.059 1.00 0.00 N ATOM 1382 CA ARG A 85 9.418 15.548 -13.489 1.00 0.00 C ATOM 1383 C ARG A 85 9.773 14.072 -13.537 1.00 0.00 C ATOM 1384 O ARG A 85 9.284 13.312 -14.347 1.00 0.00 O ATOM 1385 CB ARG A 85 10.457 16.365 -14.258 1.00 0.00 C ATOM 1386 CG ARG A 85 10.542 15.858 -15.699 1.00 0.00 C ATOM 1387 CD ARG A 85 11.978 16.000 -16.206 1.00 0.00 C ATOM 1388 NE ARG A 85 11.983 15.993 -17.695 1.00 0.00 N ATOM 1389 CZ ARG A 85 11.968 17.121 -18.353 1.00 0.00 C ATOM 1390 NH1 ARG A 85 12.904 18.007 -18.148 1.00 0.00 N ATOM 1391 NH2 ARG A 85 11.017 17.363 -19.214 1.00 0.00 N ATOM 0 H ARG A 85 10.002 16.740 -11.817 1.00 0.00 H new ATOM 0 HA ARG A 85 8.446 15.734 -13.946 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.185 17.420 -14.248 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.430 16.282 -13.774 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.229 14.815 -15.748 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.863 16.425 -16.336 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.416 16.927 -15.835 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.591 15.183 -15.826 1.00 0.00 H new ATOM 0 HE ARG A 85 11.998 15.107 -18.201 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.646 17.818 -17.474 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.893 18.888 -18.661 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.285 16.671 -19.373 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.006 18.244 -19.727 1.00 0.00 H new ATOM 1405 N LEU A 86 10.623 13.676 -12.642 1.00 0.00 N ATOM 1406 CA LEU A 86 11.050 12.253 -12.562 1.00 0.00 C ATOM 1407 C LEU A 86 9.898 11.376 -12.045 1.00 0.00 C ATOM 1408 O LEU A 86 9.767 10.237 -12.438 1.00 0.00 O ATOM 1409 CB LEU A 86 12.245 12.137 -11.614 1.00 0.00 C ATOM 1410 CG LEU A 86 12.991 10.828 -11.883 1.00 0.00 C ATOM 1411 CD1 LEU A 86 13.344 10.734 -13.368 1.00 0.00 C ATOM 1412 CD2 LEU A 86 14.275 10.793 -11.051 1.00 0.00 C ATOM 0 H LEU A 86 11.051 14.288 -11.947 1.00 0.00 H new ATOM 0 HA LEU A 86 11.332 11.911 -13.558 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.916 12.985 -11.754 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.905 12.167 -10.579 1.00 0.00 H new ATOM 0 HG LEU A 86 12.355 9.986 -11.608 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.875 9.801 -13.557 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.430 10.758 -13.961 1.00 0.00 H new ATOM 0 HD13 LEU A 86 13.979 11.576 -13.645 1.00 0.00 H new ATOM 0 HD21 LEU A 86 14.807 9.861 -11.242 1.00 0.00 H new ATOM 0 HD22 LEU A 86 14.909 11.636 -11.325 1.00 0.00 H new ATOM 0 HD23 LEU A 86 14.024 10.857 -9.992 1.00 0.00 H new ATOM 1424 N ASP A 87 9.073 11.868 -11.151 1.00 0.00 N ATOM 1425 CA ASP A 87 7.966 11.018 -10.632 1.00 0.00 C ATOM 1426 C ASP A 87 6.904 10.786 -11.718 1.00 0.00 C ATOM 1427 O ASP A 87 6.452 9.677 -11.924 1.00 0.00 O ATOM 1428 CB ASP A 87 7.320 11.703 -9.426 1.00 0.00 C ATOM 1429 CG ASP A 87 6.201 10.819 -8.873 1.00 0.00 C ATOM 1430 OD1 ASP A 87 6.447 9.638 -8.684 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.120 11.335 -8.649 1.00 0.00 O ATOM 0 H ASP A 87 9.121 12.811 -10.765 1.00 0.00 H new ATOM 0 HA ASP A 87 8.377 10.053 -10.335 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.068 11.885 -8.655 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.920 12.674 -9.718 1.00 0.00 H new ATOM 1436 N ARG A 88 6.492 11.819 -12.399 1.00 0.00 N ATOM 1437 CA ARG A 88 5.448 11.657 -13.456 1.00 0.00 C ATOM 1438 C ARG A 88 6.011 10.876 -14.653 1.00 0.00 C ATOM 1439 O ARG A 88 5.350 10.032 -15.224 1.00 0.00 O ATOM 1440 CB ARG A 88 5.000 13.041 -13.931 1.00 0.00 C ATOM 1441 CG ARG A 88 4.630 13.901 -12.722 1.00 0.00 C ATOM 1442 CD ARG A 88 3.109 14.047 -12.645 1.00 0.00 C ATOM 1443 NE ARG A 88 2.729 14.583 -11.308 1.00 0.00 N ATOM 1444 CZ ARG A 88 1.943 13.892 -10.527 1.00 0.00 C ATOM 1445 NH1 ARG A 88 2.136 12.611 -10.376 1.00 0.00 N ATOM 1446 NH2 ARG A 88 0.964 14.484 -9.899 1.00 0.00 N ATOM 0 H ARG A 88 6.833 12.772 -12.271 1.00 0.00 H new ATOM 0 HA ARG A 88 4.605 11.106 -13.039 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.799 13.518 -14.499 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.144 12.948 -14.600 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.009 13.444 -11.808 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.096 14.883 -12.804 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.757 14.716 -13.430 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.631 13.081 -12.811 1.00 0.00 H new ATOM 0 HE ARG A 88 3.083 15.490 -11.003 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.901 12.149 -10.868 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.522 12.071 -9.766 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.813 15.486 -10.018 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.350 13.945 -9.289 1.00 0.00 H new ATOM 1460 N ASN A 89 7.220 11.170 -15.040 1.00 0.00 N ATOM 1461 CA ASN A 89 7.839 10.466 -16.221 1.00 0.00 C ATOM 1462 C ASN A 89 8.156 9.010 -15.862 1.00 0.00 C ATOM 1463 O ASN A 89 7.948 8.104 -16.641 1.00 0.00 O ATOM 1464 CB ASN A 89 9.130 11.208 -16.657 1.00 0.00 C ATOM 1465 CG ASN A 89 10.354 10.281 -16.613 1.00 0.00 C ATOM 1466 OD1 ASN A 89 11.305 10.546 -15.904 1.00 0.00 O ATOM 1467 ND2 ASN A 89 10.367 9.200 -17.345 1.00 0.00 N ATOM 0 H ASN A 89 7.816 11.868 -14.595 1.00 0.00 H new ATOM 0 HA ASN A 89 7.132 10.471 -17.050 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.003 11.598 -17.667 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.297 12.064 -16.004 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.175 8.578 -17.322 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.569 8.977 -17.940 1.00 0.00 H new ATOM 1474 N LEU A 90 8.694 8.795 -14.703 1.00 0.00 N ATOM 1475 CA LEU A 90 9.067 7.411 -14.288 1.00 0.00 C ATOM 1476 C LEU A 90 7.896 6.451 -14.522 1.00 0.00 C ATOM 1477 O LEU A 90 8.089 5.275 -14.748 1.00 0.00 O ATOM 1478 CB LEU A 90 9.439 7.407 -12.806 1.00 0.00 C ATOM 1479 CG LEU A 90 10.901 7.823 -12.647 1.00 0.00 C ATOM 1480 CD1 LEU A 90 11.227 7.990 -11.161 1.00 0.00 C ATOM 1481 CD2 LEU A 90 11.804 6.747 -13.250 1.00 0.00 C ATOM 0 H LEU A 90 8.896 9.520 -14.015 1.00 0.00 H new ATOM 0 HA LEU A 90 9.918 7.082 -14.883 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.793 8.091 -12.256 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.284 6.414 -12.384 1.00 0.00 H new ATOM 0 HG LEU A 90 11.068 8.769 -13.162 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.270 8.287 -11.048 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.583 8.757 -10.731 1.00 0.00 H new ATOM 0 HD13 LEU A 90 11.061 7.045 -10.644 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.847 7.042 -13.137 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.637 5.801 -12.735 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.573 6.629 -14.309 1.00 0.00 H new ATOM 1493 N TRP A 91 6.686 6.931 -14.450 1.00 0.00 N ATOM 1494 CA TRP A 91 5.517 6.040 -14.658 1.00 0.00 C ATOM 1495 C TRP A 91 5.439 5.615 -16.132 1.00 0.00 C ATOM 1496 O TRP A 91 5.111 4.485 -16.435 1.00 0.00 O ATOM 1497 CB TRP A 91 4.244 6.785 -14.239 1.00 0.00 C ATOM 1498 CG TRP A 91 4.215 6.912 -12.756 1.00 0.00 C ATOM 1499 CD1 TRP A 91 4.117 8.077 -12.093 1.00 0.00 C ATOM 1500 CD2 TRP A 91 4.272 5.864 -11.748 1.00 0.00 C ATOM 1501 NE1 TRP A 91 4.118 7.821 -10.733 1.00 0.00 N ATOM 1502 CE2 TRP A 91 4.212 6.468 -10.470 1.00 0.00 C ATOM 1503 CE3 TRP A 91 4.374 4.463 -11.817 1.00 0.00 C ATOM 1504 CZ2 TRP A 91 4.249 5.708 -9.301 1.00 0.00 C ATOM 1505 CZ3 TRP A 91 4.411 3.694 -10.642 1.00 0.00 C ATOM 1506 CH2 TRP A 91 4.350 4.316 -9.386 1.00 0.00 C ATOM 0 H TRP A 91 6.458 7.906 -14.255 1.00 0.00 H new ATOM 0 HA TRP A 91 5.621 5.141 -14.051 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.218 7.772 -14.701 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.362 6.247 -14.587 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.049 9.054 -12.548 1.00 0.00 H new ATOM 0 HE1 TRP A 91 4.057 8.542 -10.014 1.00 0.00 H new ATOM 0 HE3 TRP A 91 4.424 3.975 -12.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 4.200 6.192 -8.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 4.487 2.619 -10.706 1.00 0.00 H new ATOM 0 HH2 TRP A 91 4.381 3.720 -8.486 1.00 0.00 H new ATOM 1517 N GLY A 92 5.749 6.494 -17.056 1.00 0.00 N ATOM 1518 CA GLY A 92 5.697 6.103 -18.493 1.00 0.00 C ATOM 1519 C GLY A 92 6.847 5.140 -18.793 1.00 0.00 C ATOM 1520 O GLY A 92 6.661 4.085 -19.366 1.00 0.00 O ATOM 0 H GLY A 92 6.033 7.457 -16.875 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.742 5.630 -18.719 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.772 6.987 -19.126 1.00 0.00 H new ATOM 1524 N LEU A 93 8.038 5.509 -18.410 1.00 0.00 N ATOM 1525 CA LEU A 93 9.224 4.642 -18.663 1.00 0.00 C ATOM 1526 C LEU A 93 9.028 3.281 -17.980 1.00 0.00 C ATOM 1527 O LEU A 93 9.417 2.255 -18.498 1.00 0.00 O ATOM 1528 CB LEU A 93 10.465 5.344 -18.099 1.00 0.00 C ATOM 1529 CG LEU A 93 11.707 4.452 -18.221 1.00 0.00 C ATOM 1530 CD1 LEU A 93 11.681 3.674 -19.537 1.00 0.00 C ATOM 1531 CD2 LEU A 93 12.954 5.337 -18.189 1.00 0.00 C ATOM 0 H LEU A 93 8.243 6.384 -17.927 1.00 0.00 H new ATOM 0 HA LEU A 93 9.348 4.475 -19.733 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.632 6.280 -18.633 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.298 5.599 -17.053 1.00 0.00 H new ATOM 0 HG LEU A 93 11.719 3.743 -17.393 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.570 3.047 -19.606 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.790 3.047 -19.571 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.664 4.373 -20.373 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.844 4.714 -18.275 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.922 6.041 -19.020 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.986 5.887 -17.249 1.00 0.00 H new ATOM 1543 N ALA A 94 8.420 3.266 -16.828 1.00 0.00 N ATOM 1544 CA ALA A 94 8.195 1.974 -16.118 1.00 0.00 C ATOM 1545 C ALA A 94 7.188 1.131 -16.901 1.00 0.00 C ATOM 1546 O ALA A 94 7.528 0.110 -17.467 1.00 0.00 O ATOM 1547 CB ALA A 94 7.647 2.252 -14.716 1.00 0.00 C ATOM 0 H ALA A 94 8.068 4.093 -16.345 1.00 0.00 H new ATOM 0 HA ALA A 94 9.138 1.433 -16.039 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.482 1.308 -14.196 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.364 2.853 -14.158 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.704 2.793 -14.795 1.00 0.00 H new ATOM 1553 N GLY A 95 5.952 1.551 -16.946 1.00 0.00 N ATOM 1554 CA GLY A 95 4.931 0.770 -17.701 1.00 0.00 C ATOM 1555 C GLY A 95 3.783 0.360 -16.770 1.00 0.00 C ATOM 1556 O GLY A 95 2.663 0.175 -17.202 1.00 0.00 O ATOM 0 H GLY A 95 5.607 2.398 -16.494 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.544 1.367 -18.527 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.390 -0.117 -18.137 1.00 0.00 H new ATOM 1560 N LEU A 96 4.047 0.213 -15.499 1.00 0.00 N ATOM 1561 CA LEU A 96 2.969 -0.187 -14.558 1.00 0.00 C ATOM 1562 C LEU A 96 2.640 0.988 -13.633 1.00 0.00 C ATOM 1563 O LEU A 96 3.376 1.950 -13.549 1.00 0.00 O ATOM 1564 CB LEU A 96 3.452 -1.367 -13.718 1.00 0.00 C ATOM 1565 CG LEU A 96 2.267 -2.264 -13.360 1.00 0.00 C ATOM 1566 CD1 LEU A 96 1.770 -2.978 -14.618 1.00 0.00 C ATOM 1567 CD2 LEU A 96 2.709 -3.303 -12.325 1.00 0.00 C ATOM 0 H LEU A 96 4.964 0.353 -15.075 1.00 0.00 H new ATOM 0 HA LEU A 96 2.079 -0.471 -15.119 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.199 -1.938 -14.270 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.935 -1.006 -12.810 1.00 0.00 H new ATOM 0 HG LEU A 96 1.463 -1.656 -12.945 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.925 -3.618 -14.363 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.457 -2.239 -15.356 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.574 -3.586 -15.033 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.865 -3.943 -12.069 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.513 -3.911 -12.740 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.064 -2.795 -11.428 1.00 0.00 H new ATOM 1579 N ASN A 97 1.536 0.913 -12.939 1.00 0.00 N ATOM 1580 CA ASN A 97 1.154 2.023 -12.018 1.00 0.00 C ATOM 1581 C ASN A 97 0.559 1.436 -10.735 1.00 0.00 C ATOM 1582 O ASN A 97 -0.375 1.971 -10.170 1.00 0.00 O ATOM 1583 CB ASN A 97 0.117 2.917 -12.700 1.00 0.00 C ATOM 1584 CG ASN A 97 0.492 4.385 -12.490 1.00 0.00 C ATOM 1585 OD1 ASN A 97 0.994 5.030 -13.390 1.00 0.00 O ATOM 1586 ND2 ASN A 97 0.268 4.945 -11.333 1.00 0.00 N ATOM 0 H ASN A 97 0.882 0.131 -12.970 1.00 0.00 H new ATOM 0 HA ASN A 97 2.036 2.614 -11.773 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.071 2.691 -13.765 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.874 2.721 -12.290 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.514 5.924 -11.184 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.153 4.404 -10.578 1.00 0.00 H new ATOM 1593 N SER A 98 1.095 0.342 -10.271 1.00 0.00 N ATOM 1594 CA SER A 98 0.567 -0.284 -9.025 1.00 0.00 C ATOM 1595 C SER A 98 1.558 -1.346 -8.542 1.00 0.00 C ATOM 1596 O SER A 98 1.283 -2.529 -8.590 1.00 0.00 O ATOM 1597 CB SER A 98 -0.784 -0.939 -9.316 1.00 0.00 C ATOM 1598 OG SER A 98 -1.004 -0.966 -10.718 1.00 0.00 O ATOM 0 H SER A 98 1.879 -0.148 -10.702 1.00 0.00 H new ATOM 0 HA SER A 98 0.439 0.477 -8.255 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.803 -1.952 -8.914 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.583 -0.385 -8.822 1.00 0.00 H new ATOM 0 HG SER A 98 -1.869 -1.387 -10.905 1.00 0.00 H new ATOM 1604 N CYS A 99 2.711 -0.935 -8.091 1.00 0.00 N ATOM 1605 CA CYS A 99 3.723 -1.922 -7.622 1.00 0.00 C ATOM 1606 C CYS A 99 4.124 -1.614 -6.175 1.00 0.00 C ATOM 1607 O CYS A 99 5.257 -1.257 -5.913 1.00 0.00 O ATOM 1608 CB CYS A 99 4.959 -1.831 -8.517 1.00 0.00 C ATOM 1609 SG CYS A 99 4.443 -1.593 -10.238 1.00 0.00 S ATOM 0 H CYS A 99 2.996 0.042 -8.027 1.00 0.00 H new ATOM 0 HA CYS A 99 3.299 -2.925 -7.669 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.592 -1.003 -8.198 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.554 -2.740 -8.427 1.00 0.00 H new ATOM 1614 N PRO A 100 3.187 -1.767 -5.276 1.00 0.00 N ATOM 1615 CA PRO A 100 3.405 -1.521 -3.816 1.00 0.00 C ATOM 1616 C PRO A 100 4.217 -2.662 -3.197 1.00 0.00 C ATOM 1617 O PRO A 100 4.178 -3.786 -3.657 1.00 0.00 O ATOM 1618 CB PRO A 100 1.990 -1.487 -3.253 1.00 0.00 C ATOM 1619 CG PRO A 100 1.112 -2.270 -4.221 1.00 0.00 C ATOM 1620 CD PRO A 100 1.788 -2.208 -5.594 1.00 0.00 C ATOM 0 HA PRO A 100 3.965 -0.609 -3.609 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.959 -1.931 -2.258 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.637 -0.460 -3.155 1.00 0.00 H new ATOM 0 HG2 PRO A 100 1.003 -3.303 -3.892 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.111 -1.842 -4.265 1.00 0.00 H new ATOM 0 HD2 PRO A 100 1.776 -3.178 -6.091 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.286 -1.503 -6.257 1.00 0.00 H new ATOM 1628 N VAL A 101 4.953 -2.384 -2.156 1.00 0.00 N ATOM 1629 CA VAL A 101 5.767 -3.452 -1.510 1.00 0.00 C ATOM 1630 C VAL A 101 6.031 -3.083 -0.047 1.00 0.00 C ATOM 1631 O VAL A 101 5.205 -2.477 0.606 1.00 0.00 O ATOM 1632 CB VAL A 101 7.097 -3.594 -2.255 1.00 0.00 C ATOM 1633 CG1 VAL A 101 6.824 -3.828 -3.742 1.00 0.00 C ATOM 1634 CG2 VAL A 101 7.920 -2.315 -2.082 1.00 0.00 C ATOM 0 H VAL A 101 5.026 -1.463 -1.725 1.00 0.00 H new ATOM 0 HA VAL A 101 5.226 -4.398 -1.548 1.00 0.00 H new ATOM 0 HB VAL A 101 7.653 -4.439 -1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.770 -3.929 -4.274 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.239 -4.739 -3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.268 -2.982 -4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 101 8.867 -2.417 -2.613 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.366 -1.468 -2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.114 -2.148 -1.023 1.00 0.00 H new ATOM 1644 N LYS A 102 7.173 -3.445 0.475 1.00 0.00 N ATOM 1645 CA LYS A 102 7.480 -3.113 1.895 1.00 0.00 C ATOM 1646 C LYS A 102 8.925 -3.518 2.207 1.00 0.00 C ATOM 1647 O LYS A 102 9.182 -4.526 2.835 1.00 0.00 O ATOM 1648 CB LYS A 102 6.512 -3.868 2.821 1.00 0.00 C ATOM 1649 CG LYS A 102 6.787 -5.372 2.735 1.00 0.00 C ATOM 1650 CD LYS A 102 5.463 -6.136 2.745 1.00 0.00 C ATOM 1651 CE LYS A 102 4.962 -6.270 4.185 1.00 0.00 C ATOM 1652 NZ LYS A 102 4.964 -7.707 4.580 1.00 0.00 N ATOM 0 H LYS A 102 7.904 -3.955 -0.020 1.00 0.00 H new ATOM 0 HA LYS A 102 7.363 -2.041 2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.633 -3.524 3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.481 -3.660 2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.343 -5.599 1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.407 -5.687 3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.724 -5.612 2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.597 -7.123 2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.599 -5.696 4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.956 -5.860 4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.624 -7.799 5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.339 -8.243 3.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.931 -8.084 4.513 1.00 0.00 H new ATOM 1666 N GLU A 103 9.868 -2.732 1.776 1.00 0.00 N ATOM 1667 CA GLU A 103 11.297 -3.058 2.043 1.00 0.00 C ATOM 1668 C GLU A 103 11.769 -2.295 3.281 1.00 0.00 C ATOM 1669 O GLU A 103 12.254 -1.186 3.195 1.00 0.00 O ATOM 1670 CB GLU A 103 12.151 -2.658 0.839 1.00 0.00 C ATOM 1671 CG GLU A 103 13.598 -3.094 1.072 1.00 0.00 C ATOM 1672 CD GLU A 103 13.708 -4.610 0.907 1.00 0.00 C ATOM 1673 OE1 GLU A 103 13.552 -5.077 -0.209 1.00 0.00 O ATOM 1674 OE2 GLU A 103 13.946 -5.279 1.899 1.00 0.00 O ATOM 0 H GLU A 103 9.712 -1.874 1.248 1.00 0.00 H new ATOM 0 HA GLU A 103 11.398 -4.130 2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.762 -3.123 -0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.105 -1.579 0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 103 14.258 -2.592 0.365 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.920 -2.802 2.072 1.00 0.00 H new ATOM 1681 N ALA A 104 11.627 -2.887 4.433 1.00 0.00 N ATOM 1682 CA ALA A 104 12.064 -2.205 5.684 1.00 0.00 C ATOM 1683 C ALA A 104 13.491 -1.679 5.513 1.00 0.00 C ATOM 1684 O ALA A 104 13.860 -0.668 6.078 1.00 0.00 O ATOM 1685 CB ALA A 104 12.023 -3.199 6.847 1.00 0.00 C ATOM 0 H ALA A 104 11.226 -3.816 4.563 1.00 0.00 H new ATOM 0 HA ALA A 104 11.395 -1.371 5.893 1.00 0.00 H new ATOM 0 HB1 ALA A 104 12.342 -2.701 7.763 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.006 -3.571 6.972 1.00 0.00 H new ATOM 0 HB3 ALA A 104 12.691 -4.034 6.636 1.00 0.00 H new ATOM 1691 N ASN A 105 14.295 -2.353 4.737 1.00 0.00 N ATOM 1692 CA ASN A 105 15.696 -1.887 4.533 1.00 0.00 C ATOM 1693 C ASN A 105 15.697 -0.376 4.293 1.00 0.00 C ATOM 1694 O ASN A 105 14.665 0.230 4.079 1.00 0.00 O ATOM 1695 CB ASN A 105 16.298 -2.597 3.319 1.00 0.00 C ATOM 1696 CG ASN A 105 17.806 -2.341 3.276 1.00 0.00 C ATOM 1697 OD1 ASN A 105 18.273 -1.520 2.512 1.00 0.00 O ATOM 1698 ND2 ASN A 105 18.593 -3.016 4.069 1.00 0.00 N ATOM 0 H ASN A 105 14.043 -3.205 4.236 1.00 0.00 H new ATOM 0 HA ASN A 105 16.290 -2.116 5.418 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.101 -3.668 3.376 1.00 0.00 H new ATOM 0 HB3 ASN A 105 15.830 -2.235 2.403 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.600 -2.854 4.047 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.201 -3.705 4.711 1.00 0.00 H new ATOM 1705 N GLN A 106 16.847 0.242 4.332 1.00 0.00 N ATOM 1706 CA GLN A 106 16.907 1.714 4.107 1.00 0.00 C ATOM 1707 C GLN A 106 18.128 2.057 3.253 1.00 0.00 C ATOM 1708 O GLN A 106 19.123 1.357 3.258 1.00 0.00 O ATOM 1709 CB GLN A 106 17.013 2.434 5.454 1.00 0.00 C ATOM 1710 CG GLN A 106 15.900 1.943 6.384 1.00 0.00 C ATOM 1711 CD GLN A 106 15.293 3.133 7.127 1.00 0.00 C ATOM 1712 OE1 GLN A 106 14.136 3.108 7.495 1.00 0.00 O ATOM 1713 NE2 GLN A 106 16.030 4.184 7.364 1.00 0.00 N ATOM 0 H GLN A 106 17.745 -0.208 4.510 1.00 0.00 H new ATOM 0 HA GLN A 106 16.002 2.034 3.591 1.00 0.00 H new ATOM 0 HB2 GLN A 106 17.988 2.245 5.904 1.00 0.00 H new ATOM 0 HB3 GLN A 106 16.932 3.511 5.310 1.00 0.00 H new ATOM 0 HG2 GLN A 106 15.130 1.430 5.808 1.00 0.00 H new ATOM 0 HG3 GLN A 106 16.299 1.221 7.097 1.00 0.00 H new ATOM 0 HE21 GLN A 106 17.002 4.206 7.055 1.00 0.00 H new ATOM 0 HE22 GLN A 106 15.634 4.984 7.858 1.00 0.00 H new ATOM 1722 N SER A 107 18.060 3.133 2.518 1.00 0.00 N ATOM 1723 CA SER A 107 19.209 3.535 1.659 1.00 0.00 C ATOM 1724 C SER A 107 19.429 5.042 1.812 1.00 0.00 C ATOM 1725 O SER A 107 18.865 5.659 2.685 1.00 0.00 O ATOM 1726 CB SER A 107 18.889 3.202 0.199 1.00 0.00 C ATOM 1727 OG SER A 107 20.093 2.906 -0.495 1.00 0.00 O ATOM 0 H SER A 107 17.252 3.755 2.476 1.00 0.00 H new ATOM 0 HA SER A 107 20.110 2.999 1.957 1.00 0.00 H new ATOM 0 HB2 SER A 107 18.210 2.351 0.150 1.00 0.00 H new ATOM 0 HB3 SER A 107 18.382 4.043 -0.274 1.00 0.00 H new ATOM 0 HG SER A 107 20.015 2.029 -0.926 1.00 0.00 H new ATOM 1733 N THR A 108 20.240 5.640 0.978 1.00 0.00 N ATOM 1734 CA THR A 108 20.478 7.109 1.093 1.00 0.00 C ATOM 1735 C THR A 108 20.061 7.792 -0.215 1.00 0.00 C ATOM 1736 O THR A 108 20.322 7.292 -1.288 1.00 0.00 O ATOM 1737 CB THR A 108 21.966 7.362 1.344 1.00 0.00 C ATOM 1738 OG1 THR A 108 22.732 6.693 0.352 1.00 0.00 O ATOM 1739 CG2 THR A 108 22.349 6.837 2.729 1.00 0.00 C ATOM 0 H THR A 108 20.746 5.176 0.224 1.00 0.00 H new ATOM 0 HA THR A 108 19.894 7.512 1.920 1.00 0.00 H new ATOM 0 HB THR A 108 22.166 8.432 1.297 1.00 0.00 H new ATOM 0 HG1 THR A 108 23.685 6.855 0.510 1.00 0.00 H new ATOM 0 HG21 THR A 108 23.409 7.018 2.906 1.00 0.00 H new ATOM 0 HG22 THR A 108 21.761 7.352 3.489 1.00 0.00 H new ATOM 0 HG23 THR A 108 22.150 5.767 2.780 1.00 0.00 H new ATOM 1747 N LEU A 109 19.424 8.932 -0.137 1.00 0.00 N ATOM 1748 CA LEU A 109 19.006 9.646 -1.384 1.00 0.00 C ATOM 1749 C LEU A 109 20.207 9.738 -2.320 1.00 0.00 C ATOM 1750 O LEU A 109 20.104 9.473 -3.499 1.00 0.00 O ATOM 1751 CB LEU A 109 18.521 11.059 -1.024 1.00 0.00 C ATOM 1752 CG LEU A 109 17.781 11.699 -2.209 1.00 0.00 C ATOM 1753 CD1 LEU A 109 18.686 11.738 -3.439 1.00 0.00 C ATOM 1754 CD2 LEU A 109 16.525 10.897 -2.538 1.00 0.00 C ATOM 0 H LEU A 109 19.175 9.400 0.734 1.00 0.00 H new ATOM 0 HA LEU A 109 18.197 9.104 -1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 109 17.860 11.012 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 109 19.371 11.680 -0.742 1.00 0.00 H new ATOM 0 HG LEU A 109 17.503 12.716 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 109 18.149 12.194 -4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 109 19.577 12.325 -3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 109 18.978 10.723 -3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 109 16.008 11.359 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 109 16.803 9.876 -2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 109 15.865 10.882 -1.671 1.00 0.00 H new ATOM 1766 N GLU A 110 21.349 10.106 -1.817 1.00 0.00 N ATOM 1767 CA GLU A 110 22.535 10.195 -2.707 1.00 0.00 C ATOM 1768 C GLU A 110 22.628 8.894 -3.500 1.00 0.00 C ATOM 1769 O GLU A 110 22.854 8.893 -4.694 1.00 0.00 O ATOM 1770 CB GLU A 110 23.800 10.377 -1.864 1.00 0.00 C ATOM 1771 CG GLU A 110 24.834 11.177 -2.660 1.00 0.00 C ATOM 1772 CD GLU A 110 25.817 10.217 -3.330 1.00 0.00 C ATOM 1773 OE1 GLU A 110 26.433 9.438 -2.621 1.00 0.00 O ATOM 1774 OE2 GLU A 110 25.938 10.276 -4.544 1.00 0.00 O ATOM 0 H GLU A 110 21.512 10.347 -0.839 1.00 0.00 H new ATOM 0 HA GLU A 110 22.440 11.045 -3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 110 23.560 10.895 -0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 110 24.210 9.405 -1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 110 24.336 11.788 -3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 110 25.369 11.859 -1.999 1.00 0.00 H new ATOM 1781 N ASN A 111 22.442 7.785 -2.838 1.00 0.00 N ATOM 1782 CA ASN A 111 22.503 6.473 -3.533 1.00 0.00 C ATOM 1783 C ASN A 111 21.286 6.297 -4.443 1.00 0.00 C ATOM 1784 O ASN A 111 21.358 5.617 -5.426 1.00 0.00 O ATOM 1785 CB ASN A 111 22.544 5.344 -2.502 1.00 0.00 C ATOM 1786 CG ASN A 111 23.083 4.071 -3.160 1.00 0.00 C ATOM 1787 OD1 ASN A 111 24.189 4.056 -3.664 1.00 0.00 O ATOM 1788 ND2 ASN A 111 22.343 2.998 -3.178 1.00 0.00 N ATOM 0 H ASN A 111 22.249 7.734 -1.838 1.00 0.00 H new ATOM 0 HA ASN A 111 23.406 6.440 -4.143 1.00 0.00 H new ATOM 0 HB2 ASN A 111 23.177 5.628 -1.661 1.00 0.00 H new ATOM 0 HB3 ASN A 111 21.546 5.165 -2.103 1.00 0.00 H new ATOM 0 HD21 ASN A 111 22.692 2.145 -3.615 1.00 0.00 H new ATOM 0 HD22 ASN A 111 21.415 3.011 -2.755 1.00 0.00 H new ATOM 1795 N PHE A 112 20.164 6.879 -4.135 1.00 0.00 N ATOM 1796 CA PHE A 112 18.989 6.699 -5.034 1.00 0.00 C ATOM 1797 C PHE A 112 19.290 7.372 -6.370 1.00 0.00 C ATOM 1798 O PHE A 112 18.972 6.855 -7.416 1.00 0.00 O ATOM 1799 CB PHE A 112 17.755 7.345 -4.381 1.00 0.00 C ATOM 1800 CG PHE A 112 16.494 6.963 -5.134 1.00 0.00 C ATOM 1801 CD1 PHE A 112 16.537 5.996 -6.149 1.00 0.00 C ATOM 1802 CD2 PHE A 112 15.276 7.577 -4.812 1.00 0.00 C ATOM 1803 CE1 PHE A 112 15.371 5.644 -6.834 1.00 0.00 C ATOM 1804 CE2 PHE A 112 14.109 7.223 -5.501 1.00 0.00 C ATOM 1805 CZ PHE A 112 14.157 6.257 -6.511 1.00 0.00 C ATOM 0 H PHE A 112 20.008 7.463 -3.314 1.00 0.00 H new ATOM 0 HA PHE A 112 18.791 5.640 -5.198 1.00 0.00 H new ATOM 0 HB2 PHE A 112 17.676 7.025 -3.342 1.00 0.00 H new ATOM 0 HB3 PHE A 112 17.866 8.429 -4.373 1.00 0.00 H new ATOM 0 HD1 PHE A 112 17.474 5.522 -6.402 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.237 8.323 -4.032 1.00 0.00 H new ATOM 0 HE1 PHE A 112 15.408 4.898 -7.614 1.00 0.00 H new ATOM 0 HE2 PHE A 112 13.171 7.697 -5.252 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.256 5.985 -7.041 1.00 0.00 H new ATOM 1815 N LEU A 113 19.909 8.509 -6.349 1.00 0.00 N ATOM 1816 CA LEU A 113 20.249 9.184 -7.629 1.00 0.00 C ATOM 1817 C LEU A 113 21.372 8.397 -8.319 1.00 0.00 C ATOM 1818 O LEU A 113 21.411 8.285 -9.529 1.00 0.00 O ATOM 1819 CB LEU A 113 20.712 10.615 -7.347 1.00 0.00 C ATOM 1820 CG LEU A 113 19.602 11.375 -6.617 1.00 0.00 C ATOM 1821 CD1 LEU A 113 20.156 12.701 -6.093 1.00 0.00 C ATOM 1822 CD2 LEU A 113 18.451 11.651 -7.586 1.00 0.00 C ATOM 0 H LEU A 113 20.196 9.003 -5.504 1.00 0.00 H new ATOM 0 HA LEU A 113 19.373 9.218 -8.277 1.00 0.00 H new ATOM 0 HB2 LEU A 113 21.618 10.603 -6.741 1.00 0.00 H new ATOM 0 HB3 LEU A 113 20.959 11.119 -8.281 1.00 0.00 H new ATOM 0 HG LEU A 113 19.238 10.776 -5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 113 19.367 13.245 -5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 113 20.977 12.505 -5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 113 20.518 13.300 -6.929 1.00 0.00 H new ATOM 0 HD21 LEU A 113 17.660 12.192 -7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 113 18.814 12.251 -8.420 1.00 0.00 H new ATOM 0 HD23 LEU A 113 18.058 10.707 -7.962 1.00 0.00 H new ATOM 1834 N GLU A 114 22.289 7.850 -7.554 1.00 0.00 N ATOM 1835 CA GLU A 114 23.410 7.070 -8.157 1.00 0.00 C ATOM 1836 C GLU A 114 22.873 5.752 -8.726 1.00 0.00 C ATOM 1837 O GLU A 114 23.123 5.388 -9.857 1.00 0.00 O ATOM 1838 CB GLU A 114 24.424 6.762 -7.058 1.00 0.00 C ATOM 1839 CG GLU A 114 25.846 6.921 -7.590 1.00 0.00 C ATOM 1840 CD GLU A 114 25.965 6.255 -8.963 1.00 0.00 C ATOM 1841 OE1 GLU A 114 25.716 6.927 -9.950 1.00 0.00 O ATOM 1842 OE2 GLU A 114 26.303 5.084 -9.004 1.00 0.00 O ATOM 0 H GLU A 114 22.306 7.912 -6.536 1.00 0.00 H new ATOM 0 HA GLU A 114 23.875 7.644 -8.958 1.00 0.00 H new ATOM 0 HB2 GLU A 114 24.268 7.431 -6.212 1.00 0.00 H new ATOM 0 HB3 GLU A 114 24.277 5.746 -6.692 1.00 0.00 H new ATOM 0 HG2 GLU A 114 26.099 7.978 -7.666 1.00 0.00 H new ATOM 0 HG3 GLU A 114 26.556 6.472 -6.895 1.00 0.00 H new ATOM 1849 N ARG A 115 22.139 5.049 -7.921 1.00 0.00 N ATOM 1850 CA ARG A 115 21.551 3.746 -8.330 1.00 0.00 C ATOM 1851 C ARG A 115 20.621 3.961 -9.516 1.00 0.00 C ATOM 1852 O ARG A 115 20.720 3.299 -10.530 1.00 0.00 O ATOM 1853 CB ARG A 115 20.739 3.192 -7.152 1.00 0.00 C ATOM 1854 CG ARG A 115 21.059 1.707 -6.964 1.00 0.00 C ATOM 1855 CD ARG A 115 22.538 1.543 -6.614 1.00 0.00 C ATOM 1856 NE ARG A 115 22.683 0.534 -5.528 1.00 0.00 N ATOM 1857 CZ ARG A 115 23.812 0.424 -4.886 1.00 0.00 C ATOM 1858 NH1 ARG A 115 24.937 0.684 -5.494 1.00 0.00 N ATOM 1859 NH2 ARG A 115 23.819 0.055 -3.633 1.00 0.00 N ATOM 0 H ARG A 115 21.914 5.330 -6.967 1.00 0.00 H new ATOM 0 HA ARG A 115 22.341 3.049 -8.610 1.00 0.00 H new ATOM 0 HB2 ARG A 115 20.976 3.744 -6.242 1.00 0.00 H new ATOM 0 HB3 ARG A 115 19.673 3.325 -7.337 1.00 0.00 H new ATOM 0 HG2 ARG A 115 20.439 1.288 -6.172 1.00 0.00 H new ATOM 0 HG3 ARG A 115 20.827 1.156 -7.875 1.00 0.00 H new ATOM 0 HD2 ARG A 115 23.098 1.228 -7.494 1.00 0.00 H new ATOM 0 HD3 ARG A 115 22.955 2.498 -6.295 1.00 0.00 H new ATOM 0 HE ARG A 115 21.898 -0.071 -5.287 1.00 0.00 H new ATOM 0 HH11 ARG A 115 24.933 0.973 -6.472 1.00 0.00 H new ATOM 0 HH12 ARG A 115 25.820 0.598 -4.991 1.00 0.00 H new ATOM 0 HH21 ARG A 115 22.940 -0.147 -3.156 1.00 0.00 H new ATOM 0 HH22 ARG A 115 24.703 -0.031 -3.132 1.00 0.00 H new ATOM 1873 N LEU A 116 19.723 4.893 -9.396 1.00 0.00 N ATOM 1874 CA LEU A 116 18.780 5.167 -10.514 1.00 0.00 C ATOM 1875 C LEU A 116 19.582 5.432 -11.798 1.00 0.00 C ATOM 1876 O LEU A 116 19.245 4.934 -12.854 1.00 0.00 O ATOM 1877 CB LEU A 116 17.952 6.407 -10.186 1.00 0.00 C ATOM 1878 CG LEU A 116 16.748 6.002 -9.340 1.00 0.00 C ATOM 1879 CD1 LEU A 116 15.879 7.232 -9.082 1.00 0.00 C ATOM 1880 CD2 LEU A 116 15.930 4.948 -10.088 1.00 0.00 C ATOM 0 H LEU A 116 19.600 5.479 -8.571 1.00 0.00 H new ATOM 0 HA LEU A 116 18.123 4.309 -10.654 1.00 0.00 H new ATOM 0 HB2 LEU A 116 18.561 7.133 -9.648 1.00 0.00 H new ATOM 0 HB3 LEU A 116 17.619 6.889 -11.105 1.00 0.00 H new ATOM 0 HG LEU A 116 17.089 5.588 -8.391 1.00 0.00 H new ATOM 0 HD11 LEU A 116 15.017 6.948 -8.478 1.00 0.00 H new ATOM 0 HD12 LEU A 116 16.462 7.985 -8.551 1.00 0.00 H new ATOM 0 HD13 LEU A 116 15.537 7.642 -10.032 1.00 0.00 H new ATOM 0 HD21 LEU A 116 15.070 4.659 -9.484 1.00 0.00 H new ATOM 0 HD22 LEU A 116 15.585 5.361 -11.036 1.00 0.00 H new ATOM 0 HD23 LEU A 116 16.551 4.073 -10.278 1.00 0.00 H new ATOM 1892 N LYS A 117 20.636 6.226 -11.732 1.00 0.00 N ATOM 1893 CA LYS A 117 21.421 6.510 -12.968 1.00 0.00 C ATOM 1894 C LYS A 117 22.051 5.221 -13.503 1.00 0.00 C ATOM 1895 O LYS A 117 22.274 5.075 -14.688 1.00 0.00 O ATOM 1896 CB LYS A 117 22.525 7.519 -12.646 1.00 0.00 C ATOM 1897 CG LYS A 117 22.967 8.217 -13.933 1.00 0.00 C ATOM 1898 CD LYS A 117 24.023 9.275 -13.603 1.00 0.00 C ATOM 1899 CE LYS A 117 25.247 9.072 -14.498 1.00 0.00 C ATOM 1900 NZ LYS A 117 26.487 9.247 -13.691 1.00 0.00 N ATOM 0 H LYS A 117 20.975 6.680 -10.884 1.00 0.00 H new ATOM 0 HA LYS A 117 20.754 6.920 -13.726 1.00 0.00 H new ATOM 0 HB2 LYS A 117 22.163 8.254 -11.927 1.00 0.00 H new ATOM 0 HB3 LYS A 117 23.373 7.012 -12.185 1.00 0.00 H new ATOM 0 HG2 LYS A 117 23.374 7.488 -14.633 1.00 0.00 H new ATOM 0 HG3 LYS A 117 22.110 8.683 -14.420 1.00 0.00 H new ATOM 0 HD2 LYS A 117 23.612 10.273 -13.752 1.00 0.00 H new ATOM 0 HD3 LYS A 117 24.310 9.202 -12.554 1.00 0.00 H new ATOM 0 HE2 LYS A 117 25.226 8.076 -14.941 1.00 0.00 H new ATOM 0 HE3 LYS A 117 25.232 9.787 -15.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 27.294 9.414 -14.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 26.374 10.061 -13.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 26.660 8.389 -13.130 1.00 0.00 H new ATOM 1914 N THR A 118 22.354 4.292 -12.640 1.00 0.00 N ATOM 1915 CA THR A 118 22.988 3.022 -13.103 1.00 0.00 C ATOM 1916 C THR A 118 21.993 2.191 -13.923 1.00 0.00 C ATOM 1917 O THR A 118 22.319 1.688 -14.979 1.00 0.00 O ATOM 1918 CB THR A 118 23.442 2.214 -11.886 1.00 0.00 C ATOM 1919 OG1 THR A 118 23.534 3.072 -10.757 1.00 0.00 O ATOM 1920 CG2 THR A 118 24.809 1.589 -12.167 1.00 0.00 C ATOM 0 H THR A 118 22.191 4.355 -11.635 1.00 0.00 H new ATOM 0 HA THR A 118 23.844 3.264 -13.733 1.00 0.00 H new ATOM 0 HB THR A 118 22.719 1.424 -11.684 1.00 0.00 H new ATOM 0 HG1 THR A 118 23.972 2.597 -10.020 1.00 0.00 H new ATOM 0 HG21 THR A 118 25.131 1.014 -11.299 1.00 0.00 H new ATOM 0 HG22 THR A 118 24.737 0.930 -13.033 1.00 0.00 H new ATOM 0 HG23 THR A 118 25.534 2.377 -12.370 1.00 0.00 H new ATOM 1928 N ILE A 119 20.791 2.025 -13.441 1.00 0.00 N ATOM 1929 CA ILE A 119 19.792 1.206 -14.190 1.00 0.00 C ATOM 1930 C ILE A 119 19.443 1.860 -15.529 1.00 0.00 C ATOM 1931 O ILE A 119 19.364 1.200 -16.543 1.00 0.00 O ATOM 1932 CB ILE A 119 18.533 1.060 -13.358 1.00 0.00 C ATOM 1933 CG1 ILE A 119 18.872 0.381 -12.032 1.00 0.00 C ATOM 1934 CG2 ILE A 119 17.506 0.221 -14.120 1.00 0.00 C ATOM 1935 CD1 ILE A 119 18.997 1.441 -10.937 1.00 0.00 C ATOM 0 H ILE A 119 20.457 2.420 -12.562 1.00 0.00 H new ATOM 0 HA ILE A 119 20.226 0.226 -14.386 1.00 0.00 H new ATOM 0 HB ILE A 119 18.114 2.047 -13.161 1.00 0.00 H new ATOM 0 HG12 ILE A 119 18.096 -0.339 -11.770 1.00 0.00 H new ATOM 0 HG13 ILE A 119 19.805 -0.175 -12.123 1.00 0.00 H new ATOM 0 HG21 ILE A 119 16.602 0.118 -13.519 1.00 0.00 H new ATOM 0 HG22 ILE A 119 17.262 0.712 -15.062 1.00 0.00 H new ATOM 0 HG23 ILE A 119 17.921 -0.766 -14.323 1.00 0.00 H new ATOM 0 HD11 ILE A 119 19.239 0.959 -9.990 1.00 0.00 H new ATOM 0 HD12 ILE A 119 19.788 2.143 -11.199 1.00 0.00 H new ATOM 0 HD13 ILE A 119 18.053 1.977 -10.840 1.00 0.00 H new ATOM 1947 N MET A 120 19.209 3.142 -15.542 1.00 0.00 N ATOM 1948 CA MET A 120 18.842 3.825 -16.819 1.00 0.00 C ATOM 1949 C MET A 120 20.032 3.883 -17.764 1.00 0.00 C ATOM 1950 O MET A 120 19.878 3.805 -18.959 1.00 0.00 O ATOM 1951 CB MET A 120 18.378 5.247 -16.508 1.00 0.00 C ATOM 1952 CG MET A 120 16.983 5.197 -15.890 1.00 0.00 C ATOM 1953 SD MET A 120 16.951 6.149 -14.354 1.00 0.00 S ATOM 1954 CE MET A 120 15.153 6.140 -14.143 1.00 0.00 C ATOM 0 H MET A 120 19.255 3.749 -14.724 1.00 0.00 H new ATOM 0 HA MET A 120 18.043 3.261 -17.301 1.00 0.00 H new ATOM 0 HB2 MET A 120 19.075 5.728 -15.822 1.00 0.00 H new ATOM 0 HB3 MET A 120 18.364 5.845 -17.419 1.00 0.00 H new ATOM 0 HG2 MET A 120 16.251 5.598 -16.591 1.00 0.00 H new ATOM 0 HG3 MET A 120 16.701 4.163 -15.692 1.00 0.00 H new ATOM 0 HE1 MET A 120 14.814 7.140 -13.872 1.00 0.00 H new ATOM 0 HE2 MET A 120 14.679 5.837 -15.076 1.00 0.00 H new ATOM 0 HE3 MET A 120 14.883 5.438 -13.354 1.00 0.00 H new ATOM 1964 N ARG A 121 21.212 4.026 -17.257 1.00 0.00 N ATOM 1965 CA ARG A 121 22.386 4.079 -18.167 1.00 0.00 C ATOM 1966 C ARG A 121 22.545 2.715 -18.839 1.00 0.00 C ATOM 1967 O ARG A 121 22.835 2.617 -20.016 1.00 0.00 O ATOM 1968 CB ARG A 121 23.645 4.395 -17.363 1.00 0.00 C ATOM 1969 CG ARG A 121 24.019 5.867 -17.552 1.00 0.00 C ATOM 1970 CD ARG A 121 25.422 5.965 -18.156 1.00 0.00 C ATOM 1971 NE ARG A 121 26.430 6.041 -17.061 1.00 0.00 N ATOM 1972 CZ ARG A 121 27.526 6.730 -17.229 1.00 0.00 C ATOM 1973 NH1 ARG A 121 28.359 6.408 -18.178 1.00 0.00 N ATOM 1974 NH2 ARG A 121 27.785 7.742 -16.446 1.00 0.00 N ATOM 0 H ARG A 121 21.420 4.108 -16.262 1.00 0.00 H new ATOM 0 HA ARG A 121 22.237 4.854 -18.919 1.00 0.00 H new ATOM 0 HB2 ARG A 121 23.476 4.185 -16.307 1.00 0.00 H new ATOM 0 HB3 ARG A 121 24.466 3.756 -17.688 1.00 0.00 H new ATOM 0 HG2 ARG A 121 23.296 6.356 -18.205 1.00 0.00 H new ATOM 0 HG3 ARG A 121 23.987 6.387 -16.595 1.00 0.00 H new ATOM 0 HD2 ARG A 121 25.619 5.098 -18.787 1.00 0.00 H new ATOM 0 HD3 ARG A 121 25.494 6.846 -18.793 1.00 0.00 H new ATOM 0 HE ARG A 121 26.264 5.555 -16.180 1.00 0.00 H new ATOM 0 HH11 ARG A 121 28.155 5.618 -18.790 1.00 0.00 H new ATOM 0 HH12 ARG A 121 29.215 6.946 -18.309 1.00 0.00 H new ATOM 0 HH21 ARG A 121 27.131 7.993 -15.704 1.00 0.00 H new ATOM 0 HH22 ARG A 121 28.641 8.281 -16.576 1.00 0.00 H new ATOM 1988 N GLU A 122 22.356 1.663 -18.093 1.00 0.00 N ATOM 1989 CA GLU A 122 22.497 0.296 -18.672 1.00 0.00 C ATOM 1990 C GLU A 122 21.332 -0.003 -19.632 1.00 0.00 C ATOM 1991 O GLU A 122 21.524 -0.614 -20.664 1.00 0.00 O ATOM 1992 CB GLU A 122 22.513 -0.755 -17.545 1.00 0.00 C ATOM 1993 CG GLU A 122 23.733 -0.561 -16.626 1.00 0.00 C ATOM 1994 CD GLU A 122 23.422 -1.148 -15.249 1.00 0.00 C ATOM 1995 OE1 GLU A 122 22.583 -2.032 -15.179 1.00 0.00 O ATOM 1996 OE2 GLU A 122 24.028 -0.704 -14.286 1.00 0.00 O ATOM 0 H GLU A 122 22.109 1.690 -17.104 1.00 0.00 H new ATOM 0 HA GLU A 122 23.435 0.251 -19.225 1.00 0.00 H new ATOM 0 HB2 GLU A 122 21.597 -0.679 -16.960 1.00 0.00 H new ATOM 0 HB3 GLU A 122 22.534 -1.756 -17.977 1.00 0.00 H new ATOM 0 HG2 GLU A 122 24.608 -1.050 -17.054 1.00 0.00 H new ATOM 0 HG3 GLU A 122 23.972 0.499 -16.537 1.00 0.00 H new ATOM 2003 N LYS A 123 20.128 0.408 -19.315 1.00 0.00 N ATOM 2004 CA LYS A 123 18.989 0.117 -20.236 1.00 0.00 C ATOM 2005 C LYS A 123 19.127 0.969 -21.496 1.00 0.00 C ATOM 2006 O LYS A 123 18.858 0.532 -22.597 1.00 0.00 O ATOM 2007 CB LYS A 123 17.669 0.450 -19.537 1.00 0.00 C ATOM 2008 CG LYS A 123 16.638 -0.638 -19.847 1.00 0.00 C ATOM 2009 CD LYS A 123 15.468 -0.029 -20.622 1.00 0.00 C ATOM 2010 CE LYS A 123 14.168 -0.724 -20.214 1.00 0.00 C ATOM 2011 NZ LYS A 123 13.150 -0.542 -21.290 1.00 0.00 N ATOM 0 H LYS A 123 19.888 0.926 -18.469 1.00 0.00 H new ATOM 0 HA LYS A 123 18.999 -0.939 -20.506 1.00 0.00 H new ATOM 0 HB2 LYS A 123 17.824 0.523 -18.461 1.00 0.00 H new ATOM 0 HB3 LYS A 123 17.302 1.420 -19.873 1.00 0.00 H new ATOM 0 HG2 LYS A 123 17.099 -1.435 -20.431 1.00 0.00 H new ATOM 0 HG3 LYS A 123 16.279 -1.088 -18.921 1.00 0.00 H new ATOM 0 HD2 LYS A 123 15.401 1.040 -20.419 1.00 0.00 H new ATOM 0 HD3 LYS A 123 15.631 -0.140 -21.694 1.00 0.00 H new ATOM 0 HE2 LYS A 123 14.348 -1.786 -20.044 1.00 0.00 H new ATOM 0 HE3 LYS A 123 13.800 -0.309 -19.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 12.265 -1.014 -21.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 12.972 0.473 -21.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 13.503 -0.958 -22.176 1.00 0.00 H new ATOM 2025 N TYR A 124 19.536 2.188 -21.324 1.00 0.00 N ATOM 2026 CA TYR A 124 19.696 3.114 -22.478 1.00 0.00 C ATOM 2027 C TYR A 124 20.886 2.691 -23.343 1.00 0.00 C ATOM 2028 O TYR A 124 20.910 2.937 -24.534 1.00 0.00 O ATOM 2029 CB TYR A 124 19.924 4.536 -21.957 1.00 0.00 C ATOM 2030 CG TYR A 124 19.996 5.478 -23.132 1.00 0.00 C ATOM 2031 CD1 TYR A 124 19.132 5.304 -24.220 1.00 0.00 C ATOM 2032 CD2 TYR A 124 20.938 6.510 -23.141 1.00 0.00 C ATOM 2033 CE1 TYR A 124 19.212 6.166 -25.320 1.00 0.00 C ATOM 2034 CE2 TYR A 124 21.016 7.375 -24.240 1.00 0.00 C ATOM 2035 CZ TYR A 124 20.155 7.202 -25.331 1.00 0.00 C ATOM 2036 OH TYR A 124 20.234 8.052 -26.414 1.00 0.00 O ATOM 0 H TYR A 124 19.771 2.592 -20.418 1.00 0.00 H new ATOM 0 HA TYR A 124 18.792 3.081 -23.086 1.00 0.00 H new ATOM 0 HB2 TYR A 124 19.114 4.828 -21.289 1.00 0.00 H new ATOM 0 HB3 TYR A 124 20.847 4.583 -21.379 1.00 0.00 H new ATOM 0 HD1 TYR A 124 18.405 4.506 -24.211 1.00 0.00 H new ATOM 0 HD2 TYR A 124 21.605 6.641 -22.302 1.00 0.00 H new ATOM 0 HE1 TYR A 124 18.547 6.032 -26.160 1.00 0.00 H new ATOM 0 HE2 TYR A 124 21.741 8.176 -24.246 1.00 0.00 H new ATOM 0 HH TYR A 124 20.940 8.714 -26.259 1.00 0.00 H new ATOM 2046 N SER A 125 21.878 2.075 -22.756 1.00 0.00 N ATOM 2047 CA SER A 125 23.074 1.650 -23.540 1.00 0.00 C ATOM 2048 C SER A 125 22.636 1.116 -24.900 1.00 0.00 C ATOM 2049 O SER A 125 23.028 1.620 -25.931 1.00 0.00 O ATOM 2050 CB SER A 125 23.816 0.553 -22.776 1.00 0.00 C ATOM 2051 OG SER A 125 23.452 -0.718 -23.294 1.00 0.00 O ATOM 0 H SER A 125 21.911 1.847 -21.762 1.00 0.00 H new ATOM 0 HA SER A 125 23.734 2.505 -23.686 1.00 0.00 H new ATOM 0 HB2 SER A 125 24.893 0.698 -22.865 1.00 0.00 H new ATOM 0 HB3 SER A 125 23.574 0.607 -21.715 1.00 0.00 H new ATOM 0 HG SER A 125 23.930 -1.420 -22.804 1.00 0.00 H new ATOM 2057 N LYS A 126 21.818 0.106 -24.896 1.00 0.00 N ATOM 2058 CA LYS A 126 21.320 -0.486 -26.176 1.00 0.00 C ATOM 2059 C LYS A 126 20.819 -1.908 -25.910 1.00 0.00 C ATOM 2060 O LYS A 126 21.496 -2.878 -26.188 1.00 0.00 O ATOM 2061 CB LYS A 126 22.444 -0.531 -27.217 1.00 0.00 C ATOM 2062 CG LYS A 126 21.992 -1.379 -28.408 1.00 0.00 C ATOM 2063 CD LYS A 126 22.902 -1.103 -29.608 1.00 0.00 C ATOM 2064 CE LYS A 126 22.049 -0.697 -30.812 1.00 0.00 C ATOM 2065 NZ LYS A 126 22.925 -0.110 -31.867 1.00 0.00 N ATOM 0 H LYS A 126 21.465 -0.345 -24.052 1.00 0.00 H new ATOM 0 HA LYS A 126 20.508 0.132 -26.561 1.00 0.00 H new ATOM 0 HB2 LYS A 126 22.691 0.478 -27.547 1.00 0.00 H new ATOM 0 HB3 LYS A 126 23.347 -0.953 -26.777 1.00 0.00 H new ATOM 0 HG2 LYS A 126 22.026 -2.437 -28.148 1.00 0.00 H new ATOM 0 HG3 LYS A 126 20.958 -1.146 -28.662 1.00 0.00 H new ATOM 0 HD2 LYS A 126 23.610 -0.310 -29.366 1.00 0.00 H new ATOM 0 HD3 LYS A 126 23.487 -1.991 -29.846 1.00 0.00 H new ATOM 0 HE2 LYS A 126 21.520 -1.565 -31.205 1.00 0.00 H new ATOM 0 HE3 LYS A 126 21.293 0.027 -30.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 22.346 0.166 -32.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 23.411 0.728 -31.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 23.630 -0.814 -32.164 1.00 0.00 H new