USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 735 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 NoAdj-H: A 28 HIS HE2 : A 28 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HE2 : A 60 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 64 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.725) USER MOD Set 1.2: A 66 HIS : no HD1:sc= -0.618 K(o=-0.62,f=-1.2) USER MOD Set 2.1: A 36 LYS NZ :NH3+ 173:sc= -0.0458 (180deg=-0.0966) USER MOD Set 2.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 17 TYR OH : rot 180:sc= 0.0182 USER MOD Set 3.2: A 19 SER OG : rot 115:sc= -0.693 USER MOD Single : A 1 GLY N :NH3+ 175:sc= 0 (180deg=-0.0518) USER MOD Single : A 2 SER OG : rot -56:sc= 0.0863 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 48:sc= 1.14 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 154:sc= -0.12 (180deg=-0.646) USER MOD Single : A 14 GLN : amide:sc= -1.47 X(o=-1.5,f=-2) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -1.58 K(o=-1.6,f=-5.3!) USER MOD Single : A 26 ASN : amide:sc= -1.07! X(o=-1.1!,f=-1.3) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -63:sc= 1.22 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -52:sc= 0.531 USER MOD Single : A 46 CYS SG : rot 140:sc= -0.303 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc=-0.000814 K(o=-0.00081,f=0.55) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 11:sc= -1.82 USER MOD Single : A 75 SER OG : rot 180:sc= -0.104 USER MOD Single : A 78 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.367) USER MOD Single : A 79 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.28) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.489 K(o=-0.49,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.244 -1.049 -4.693 1.00 0.00 N ATOM 2 CA GLY A 1 -23.212 -2.277 -5.465 1.00 0.00 C ATOM 3 C GLY A 1 -24.569 -2.639 -6.037 1.00 0.00 C ATOM 4 O GLY A 1 -24.957 -3.807 -6.042 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.314 -0.890 -4.254 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.472 -0.251 -5.320 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.969 -1.124 -3.951 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.495 -2.172 -6.279 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.859 -3.091 -4.832 1.00 0.00 H new ATOM 8 N SER A 2 -25.293 -1.633 -6.517 1.00 0.00 N ATOM 9 CA SER A 2 -26.618 -1.850 -7.088 1.00 0.00 C ATOM 10 C SER A 2 -26.515 -2.291 -8.545 1.00 0.00 C ATOM 11 O SER A 2 -27.272 -1.830 -9.400 1.00 0.00 O ATOM 12 CB SER A 2 -27.455 -0.573 -6.988 1.00 0.00 C ATOM 13 OG SER A 2 -28.832 -0.851 -7.171 1.00 0.00 O ATOM 0 H SER A 2 -24.985 -0.661 -6.522 1.00 0.00 H new ATOM 0 HA SER A 2 -27.107 -2.642 -6.520 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.301 -0.109 -6.014 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.122 0.143 -7.739 1.00 0.00 H new ATOM 0 HG SER A 2 -28.963 -1.304 -8.030 1.00 0.00 H new ATOM 19 N SER A 3 -25.574 -3.188 -8.821 1.00 0.00 N ATOM 20 CA SER A 3 -25.368 -3.690 -10.174 1.00 0.00 C ATOM 21 C SER A 3 -26.170 -4.966 -10.408 1.00 0.00 C ATOM 22 O SER A 3 -26.674 -5.577 -9.467 1.00 0.00 O ATOM 23 CB SER A 3 -23.882 -3.955 -10.423 1.00 0.00 C ATOM 24 OG SER A 3 -23.147 -2.744 -10.457 1.00 0.00 O ATOM 0 H SER A 3 -24.942 -3.582 -8.125 1.00 0.00 H new ATOM 0 HA SER A 3 -25.716 -2.930 -10.873 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.488 -4.601 -9.639 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.757 -4.486 -11.366 1.00 0.00 H new ATOM 0 HG SER A 3 -22.200 -2.940 -10.616 1.00 0.00 H new ATOM 30 N GLY A 4 -26.284 -5.363 -11.672 1.00 0.00 N ATOM 31 CA GLY A 4 -27.026 -6.565 -12.008 1.00 0.00 C ATOM 32 C GLY A 4 -28.405 -6.260 -12.559 1.00 0.00 C ATOM 33 O GLY A 4 -29.403 -6.361 -11.846 1.00 0.00 O ATOM 0 H GLY A 4 -25.876 -4.874 -12.469 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.464 -7.142 -12.743 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.123 -7.189 -11.119 1.00 0.00 H new ATOM 37 N SER A 5 -28.461 -5.883 -13.833 1.00 0.00 N ATOM 38 CA SER A 5 -29.727 -5.556 -14.478 1.00 0.00 C ATOM 39 C SER A 5 -29.988 -6.482 -15.663 1.00 0.00 C ATOM 40 O SER A 5 -29.495 -6.249 -16.766 1.00 0.00 O ATOM 41 CB SER A 5 -29.725 -4.100 -14.945 1.00 0.00 C ATOM 42 OG SER A 5 -28.747 -3.887 -15.948 1.00 0.00 O ATOM 0 H SER A 5 -27.645 -5.797 -14.438 1.00 0.00 H new ATOM 0 HA SER A 5 -30.525 -5.694 -13.748 1.00 0.00 H new ATOM 0 HB2 SER A 5 -30.710 -3.838 -15.332 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.530 -3.443 -14.097 1.00 0.00 H new ATOM 0 HG SER A 5 -28.823 -4.584 -16.632 1.00 0.00 H new ATOM 48 N SER A 6 -30.767 -7.532 -15.425 1.00 0.00 N ATOM 49 CA SER A 6 -31.091 -8.496 -16.470 1.00 0.00 C ATOM 50 C SER A 6 -31.623 -7.790 -17.714 1.00 0.00 C ATOM 51 O SER A 6 -32.733 -7.259 -17.712 1.00 0.00 O ATOM 52 CB SER A 6 -32.122 -9.505 -15.961 1.00 0.00 C ATOM 53 OG SER A 6 -32.444 -10.455 -16.963 1.00 0.00 O ATOM 0 H SER A 6 -31.186 -7.737 -14.518 1.00 0.00 H new ATOM 0 HA SER A 6 -30.177 -9.026 -16.738 1.00 0.00 H new ATOM 0 HB2 SER A 6 -31.731 -10.017 -15.082 1.00 0.00 H new ATOM 0 HB3 SER A 6 -33.025 -8.981 -15.649 1.00 0.00 H new ATOM 0 HG SER A 6 -33.104 -11.089 -16.612 1.00 0.00 H new ATOM 59 N GLY A 7 -30.822 -7.790 -18.775 1.00 0.00 N ATOM 60 CA GLY A 7 -31.229 -7.147 -20.011 1.00 0.00 C ATOM 61 C GLY A 7 -30.144 -7.186 -21.069 1.00 0.00 C ATOM 62 O GLY A 7 -29.447 -8.190 -21.218 1.00 0.00 O ATOM 0 H GLY A 7 -29.899 -8.223 -18.801 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -32.124 -7.637 -20.394 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -31.496 -6.110 -19.807 1.00 0.00 H new ATOM 66 N LYS A 8 -30.001 -6.092 -21.808 1.00 0.00 N ATOM 67 CA LYS A 8 -28.994 -6.004 -22.859 1.00 0.00 C ATOM 68 C LYS A 8 -28.952 -7.288 -23.681 1.00 0.00 C ATOM 69 O LYS A 8 -27.902 -7.907 -23.857 1.00 0.00 O ATOM 70 CB LYS A 8 -27.616 -5.729 -22.253 1.00 0.00 C ATOM 71 CG LYS A 8 -27.459 -4.317 -21.716 1.00 0.00 C ATOM 72 CD LYS A 8 -26.181 -4.166 -20.908 1.00 0.00 C ATOM 73 CE LYS A 8 -26.276 -3.011 -19.924 1.00 0.00 C ATOM 74 NZ LYS A 8 -26.172 -1.691 -20.607 1.00 0.00 N ATOM 0 H LYS A 8 -30.570 -5.253 -21.699 1.00 0.00 H new ATOM 0 HA LYS A 8 -29.265 -5.179 -23.518 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -27.435 -6.438 -21.445 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -26.853 -5.908 -23.011 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -27.452 -3.610 -22.546 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -28.317 -4.067 -21.092 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -25.980 -5.091 -20.367 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -25.340 -4.002 -21.582 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -27.223 -3.068 -19.387 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -25.482 -3.100 -19.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -26.241 -0.929 -19.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -25.258 -1.626 -21.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -26.944 -1.595 -21.297 1.00 0.00 H new ATOM 88 N PRO A 9 -30.119 -7.699 -24.198 1.00 0.00 N ATOM 89 CA PRO A 9 -30.241 -8.913 -25.012 1.00 0.00 C ATOM 90 C PRO A 9 -29.577 -8.765 -26.376 1.00 0.00 C ATOM 91 O PRO A 9 -28.966 -9.705 -26.885 1.00 0.00 O ATOM 92 CB PRO A 9 -31.754 -9.084 -25.170 1.00 0.00 C ATOM 93 CG PRO A 9 -32.309 -7.710 -25.011 1.00 0.00 C ATOM 94 CD PRO A 9 -31.410 -7.011 -24.029 1.00 0.00 C ATOM 0 HA PRO A 9 -29.748 -9.767 -24.547 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -32.006 -9.502 -26.145 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -32.156 -9.763 -24.418 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -32.328 -7.184 -25.965 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -33.335 -7.744 -24.645 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -31.329 -5.946 -24.246 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -31.783 -7.101 -23.009 1.00 0.00 H new ATOM 102 N TYR A 10 -29.699 -7.579 -26.963 1.00 0.00 N ATOM 103 CA TYR A 10 -29.111 -7.309 -28.270 1.00 0.00 C ATOM 104 C TYR A 10 -27.588 -7.275 -28.186 1.00 0.00 C ATOM 105 O TYR A 10 -27.016 -6.575 -27.351 1.00 0.00 O ATOM 106 CB TYR A 10 -29.633 -5.982 -28.823 1.00 0.00 C ATOM 107 CG TYR A 10 -31.138 -5.934 -28.964 1.00 0.00 C ATOM 108 CD1 TYR A 10 -31.951 -5.695 -27.862 1.00 0.00 C ATOM 109 CD2 TYR A 10 -31.746 -6.129 -30.197 1.00 0.00 C ATOM 110 CE1 TYR A 10 -33.326 -5.651 -27.986 1.00 0.00 C ATOM 111 CE2 TYR A 10 -33.120 -6.085 -30.331 1.00 0.00 C ATOM 112 CZ TYR A 10 -33.906 -5.846 -29.222 1.00 0.00 C ATOM 113 OH TYR A 10 -35.275 -5.803 -29.351 1.00 0.00 O ATOM 0 H TYR A 10 -30.200 -6.790 -26.554 1.00 0.00 H new ATOM 0 HA TYR A 10 -29.401 -8.115 -28.944 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -29.312 -5.173 -28.166 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -29.179 -5.801 -29.797 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -31.500 -5.541 -26.893 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -31.134 -6.318 -31.066 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -33.944 -5.465 -27.120 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -33.577 -6.237 -31.298 1.00 0.00 H new ATOM 0 HH TYR A 10 -35.520 -5.959 -30.287 1.00 0.00 H new ATOM 123 N LYS A 11 -26.937 -8.036 -29.059 1.00 0.00 N ATOM 124 CA LYS A 11 -25.481 -8.094 -29.088 1.00 0.00 C ATOM 125 C LYS A 11 -24.948 -7.712 -30.465 1.00 0.00 C ATOM 126 O LYS A 11 -25.618 -7.913 -31.479 1.00 0.00 O ATOM 127 CB LYS A 11 -24.998 -9.497 -28.714 1.00 0.00 C ATOM 128 CG LYS A 11 -24.697 -9.662 -27.234 1.00 0.00 C ATOM 129 CD LYS A 11 -25.966 -9.628 -26.399 1.00 0.00 C ATOM 130 CE LYS A 11 -26.543 -11.022 -26.206 1.00 0.00 C ATOM 131 NZ LYS A 11 -25.623 -11.900 -25.430 1.00 0.00 N ATOM 0 H LYS A 11 -27.396 -8.622 -29.757 1.00 0.00 H new ATOM 0 HA LYS A 11 -25.100 -7.379 -28.359 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -25.757 -10.223 -29.005 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -24.100 -9.728 -29.287 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -24.178 -10.607 -27.071 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -24.025 -8.868 -26.908 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -25.752 -9.184 -25.427 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -26.705 -8.991 -26.884 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -27.500 -10.951 -25.689 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -26.740 -11.472 -27.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -26.173 -12.639 -24.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -24.940 -12.344 -26.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -25.113 -11.331 -24.724 1.00 0.00 H new ATOM 145 N CYS A 12 -23.739 -7.161 -30.495 1.00 0.00 N ATOM 146 CA CYS A 12 -23.115 -6.752 -31.748 1.00 0.00 C ATOM 147 C CYS A 12 -22.391 -7.924 -32.403 1.00 0.00 C ATOM 148 O CYS A 12 -21.459 -8.502 -31.843 1.00 0.00 O ATOM 149 CB CYS A 12 -22.134 -5.604 -31.502 1.00 0.00 C ATOM 150 SG CYS A 12 -21.349 -4.961 -33.015 1.00 0.00 S ATOM 0 H CYS A 12 -23.172 -6.987 -29.665 1.00 0.00 H new ATOM 0 HA CYS A 12 -23.901 -6.411 -32.422 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -22.661 -4.790 -31.005 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -21.356 -5.945 -30.818 1.00 0.00 H new ATOM 155 N PRO A 13 -22.827 -8.285 -33.619 1.00 0.00 N ATOM 156 CA PRO A 13 -22.234 -9.390 -34.377 1.00 0.00 C ATOM 157 C PRO A 13 -20.828 -9.066 -34.871 1.00 0.00 C ATOM 158 O PRO A 13 -20.192 -9.882 -35.537 1.00 0.00 O ATOM 159 CB PRO A 13 -23.190 -9.562 -35.561 1.00 0.00 C ATOM 160 CG PRO A 13 -23.829 -8.226 -35.728 1.00 0.00 C ATOM 161 CD PRO A 13 -23.934 -7.641 -34.347 1.00 0.00 C ATOM 0 HA PRO A 13 -22.122 -10.287 -33.768 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -22.655 -9.860 -36.462 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -23.933 -10.334 -35.361 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -23.232 -7.587 -36.378 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -24.813 -8.319 -36.188 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -23.829 -6.556 -34.361 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -24.898 -7.862 -33.889 1.00 0.00 H new ATOM 169 N GLN A 14 -20.351 -7.871 -34.539 1.00 0.00 N ATOM 170 CA GLN A 14 -19.019 -7.440 -34.950 1.00 0.00 C ATOM 171 C GLN A 14 -18.085 -7.341 -33.748 1.00 0.00 C ATOM 172 O GLN A 14 -16.885 -7.594 -33.859 1.00 0.00 O ATOM 173 CB GLN A 14 -19.095 -6.090 -35.665 1.00 0.00 C ATOM 174 CG GLN A 14 -20.001 -6.098 -36.885 1.00 0.00 C ATOM 175 CD GLN A 14 -19.565 -5.104 -37.943 1.00 0.00 C ATOM 176 OE1 GLN A 14 -18.394 -5.054 -38.319 1.00 0.00 O ATOM 177 NE2 GLN A 14 -20.507 -4.304 -38.429 1.00 0.00 N ATOM 0 H GLN A 14 -20.866 -7.184 -33.987 1.00 0.00 H new ATOM 0 HA GLN A 14 -18.619 -8.185 -35.638 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -19.451 -5.336 -34.963 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -18.092 -5.793 -35.970 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -20.014 -7.099 -37.316 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -21.021 -5.870 -36.576 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -21.466 -4.380 -38.089 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -20.272 -3.614 -39.143 1.00 0.00 H new ATOM 186 N CYS A 15 -18.642 -6.969 -32.601 1.00 0.00 N ATOM 187 CA CYS A 15 -17.859 -6.835 -31.378 1.00 0.00 C ATOM 188 C CYS A 15 -18.640 -7.352 -30.173 1.00 0.00 C ATOM 189 O CYS A 15 -19.738 -7.889 -30.316 1.00 0.00 O ATOM 190 CB CYS A 15 -17.468 -5.373 -31.156 1.00 0.00 C ATOM 191 SG CYS A 15 -18.733 -4.387 -30.293 1.00 0.00 S ATOM 0 H CYS A 15 -19.633 -6.755 -32.492 1.00 0.00 H new ATOM 0 HA CYS A 15 -16.955 -7.434 -31.488 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -16.542 -5.339 -30.582 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -17.261 -4.913 -32.122 1.00 0.00 H new ATOM 196 N SER A 16 -18.064 -7.187 -28.987 1.00 0.00 N ATOM 197 CA SER A 16 -18.703 -7.640 -27.757 1.00 0.00 C ATOM 198 C SER A 16 -19.608 -6.554 -27.183 1.00 0.00 C ATOM 199 O SER A 16 -19.696 -6.383 -25.967 1.00 0.00 O ATOM 200 CB SER A 16 -17.646 -8.037 -26.724 1.00 0.00 C ATOM 201 OG SER A 16 -17.080 -9.299 -27.034 1.00 0.00 O ATOM 0 H SER A 16 -17.156 -6.743 -28.852 1.00 0.00 H new ATOM 0 HA SER A 16 -19.314 -8.511 -27.994 1.00 0.00 H new ATOM 0 HB2 SER A 16 -16.862 -7.281 -26.692 1.00 0.00 H new ATOM 0 HB3 SER A 16 -18.097 -8.071 -25.732 1.00 0.00 H new ATOM 0 HG SER A 16 -16.406 -9.530 -26.361 1.00 0.00 H new ATOM 207 N TYR A 17 -20.278 -5.823 -28.067 1.00 0.00 N ATOM 208 CA TYR A 17 -21.174 -4.752 -27.650 1.00 0.00 C ATOM 209 C TYR A 17 -22.592 -5.277 -27.443 1.00 0.00 C ATOM 210 O TYR A 17 -22.997 -6.261 -28.061 1.00 0.00 O ATOM 211 CB TYR A 17 -21.181 -3.630 -28.689 1.00 0.00 C ATOM 212 CG TYR A 17 -22.256 -2.593 -28.455 1.00 0.00 C ATOM 213 CD1 TYR A 17 -23.527 -2.747 -28.996 1.00 0.00 C ATOM 214 CD2 TYR A 17 -22.002 -1.460 -27.692 1.00 0.00 C ATOM 215 CE1 TYR A 17 -24.512 -1.803 -28.785 1.00 0.00 C ATOM 216 CE2 TYR A 17 -22.982 -0.511 -27.475 1.00 0.00 C ATOM 217 CZ TYR A 17 -24.235 -0.686 -28.024 1.00 0.00 C ATOM 218 OH TYR A 17 -25.215 0.257 -27.811 1.00 0.00 O ATOM 0 H TYR A 17 -20.217 -5.953 -29.077 1.00 0.00 H new ATOM 0 HA TYR A 17 -20.810 -4.357 -26.701 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.208 -3.139 -28.687 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -21.317 -4.065 -29.679 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -23.748 -3.620 -29.592 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -21.022 -1.319 -27.261 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -25.494 -1.938 -29.213 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -22.768 0.364 -26.878 1.00 0.00 H new ATOM 0 HH TYR A 17 -24.858 0.980 -27.254 1.00 0.00 H new ATOM 228 N ALA A 18 -23.341 -4.612 -26.570 1.00 0.00 N ATOM 229 CA ALA A 18 -24.714 -5.008 -26.283 1.00 0.00 C ATOM 230 C ALA A 18 -25.558 -3.806 -25.873 1.00 0.00 C ATOM 231 O ALA A 18 -25.043 -2.830 -25.329 1.00 0.00 O ATOM 232 CB ALA A 18 -24.739 -6.069 -25.193 1.00 0.00 C ATOM 0 H ALA A 18 -23.020 -3.796 -26.049 1.00 0.00 H new ATOM 0 HA ALA A 18 -25.144 -5.427 -27.193 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -25.770 -6.356 -24.988 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -24.178 -6.943 -25.523 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -24.287 -5.669 -24.286 1.00 0.00 H new ATOM 238 N SER A 19 -26.858 -3.884 -26.139 1.00 0.00 N ATOM 239 CA SER A 19 -27.773 -2.800 -25.802 1.00 0.00 C ATOM 240 C SER A 19 -29.145 -3.347 -25.419 1.00 0.00 C ATOM 241 O SER A 19 -29.456 -4.509 -25.676 1.00 0.00 O ATOM 242 CB SER A 19 -27.908 -1.834 -26.980 1.00 0.00 C ATOM 243 OG SER A 19 -28.072 -0.500 -26.530 1.00 0.00 O ATOM 0 H SER A 19 -27.301 -4.686 -26.587 1.00 0.00 H new ATOM 0 HA SER A 19 -27.363 -2.264 -24.946 1.00 0.00 H new ATOM 0 HB2 SER A 19 -27.023 -1.901 -27.613 1.00 0.00 H new ATOM 0 HB3 SER A 19 -28.761 -2.121 -27.594 1.00 0.00 H new ATOM 0 HG SER A 19 -27.298 0.035 -26.804 1.00 0.00 H new ATOM 249 N ALA A 20 -29.961 -2.499 -24.801 1.00 0.00 N ATOM 250 CA ALA A 20 -31.301 -2.896 -24.383 1.00 0.00 C ATOM 251 C ALA A 20 -32.361 -2.310 -25.310 1.00 0.00 C ATOM 252 O ALA A 20 -33.535 -2.227 -24.950 1.00 0.00 O ATOM 253 CB ALA A 20 -31.555 -2.463 -22.947 1.00 0.00 C ATOM 0 H ALA A 20 -29.718 -1.534 -24.579 1.00 0.00 H new ATOM 0 HA ALA A 20 -31.366 -3.983 -24.440 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -32.559 -2.765 -22.648 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -30.823 -2.934 -22.290 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -31.465 -1.379 -22.873 1.00 0.00 H new ATOM 259 N ILE A 21 -31.938 -1.903 -26.502 1.00 0.00 N ATOM 260 CA ILE A 21 -32.852 -1.325 -27.480 1.00 0.00 C ATOM 261 C ILE A 21 -32.424 -1.667 -28.902 1.00 0.00 C ATOM 262 O ILE A 21 -31.250 -1.548 -29.255 1.00 0.00 O ATOM 263 CB ILE A 21 -32.936 0.206 -27.335 1.00 0.00 C ATOM 264 CG1 ILE A 21 -33.387 0.583 -25.922 1.00 0.00 C ATOM 265 CG2 ILE A 21 -33.887 0.784 -28.372 1.00 0.00 C ATOM 266 CD1 ILE A 21 -33.269 2.061 -25.624 1.00 0.00 C ATOM 0 H ILE A 21 -30.969 -1.963 -26.814 1.00 0.00 H new ATOM 0 HA ILE A 21 -33.835 -1.755 -27.286 1.00 0.00 H new ATOM 0 HB ILE A 21 -31.945 0.627 -27.504 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -34.424 0.275 -25.786 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -32.791 0.026 -25.199 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -33.936 1.867 -28.257 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -33.527 0.541 -29.372 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -34.881 0.359 -28.231 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -33.606 2.255 -24.606 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -32.229 2.371 -25.727 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -33.887 2.624 -26.324 1.00 0.00 H new ATOM 278 N LYS A 22 -33.383 -2.092 -29.717 1.00 0.00 N ATOM 279 CA LYS A 22 -33.108 -2.449 -31.104 1.00 0.00 C ATOM 280 C LYS A 22 -32.415 -1.303 -31.834 1.00 0.00 C ATOM 281 O LYS A 22 -31.343 -1.480 -32.411 1.00 0.00 O ATOM 282 CB LYS A 22 -34.406 -2.817 -31.825 1.00 0.00 C ATOM 283 CG LYS A 22 -34.205 -3.209 -33.279 1.00 0.00 C ATOM 284 CD LYS A 22 -33.990 -4.706 -33.428 1.00 0.00 C ATOM 285 CE LYS A 22 -33.765 -5.094 -34.881 1.00 0.00 C ATOM 286 NZ LYS A 22 -34.185 -6.498 -35.151 1.00 0.00 N ATOM 0 H LYS A 22 -34.359 -2.198 -29.441 1.00 0.00 H new ATOM 0 HA LYS A 22 -32.442 -3.312 -31.105 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -34.883 -3.643 -31.297 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -35.091 -1.970 -31.777 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -35.074 -2.905 -33.862 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -33.346 -2.675 -33.685 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -33.131 -5.013 -32.831 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -34.856 -5.240 -33.038 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -34.323 -4.417 -35.528 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -32.710 -4.976 -35.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -34.016 -6.725 -36.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -33.635 -7.146 -34.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -35.197 -6.605 -34.938 1.00 0.00 H new ATOM 300 N ALA A 23 -33.035 -0.127 -31.802 1.00 0.00 N ATOM 301 CA ALA A 23 -32.476 1.049 -32.458 1.00 0.00 C ATOM 302 C ALA A 23 -31.007 1.233 -32.095 1.00 0.00 C ATOM 303 O ALA A 23 -30.172 1.494 -32.960 1.00 0.00 O ATOM 304 CB ALA A 23 -33.274 2.289 -32.085 1.00 0.00 C ATOM 0 H ALA A 23 -33.924 0.036 -31.329 1.00 0.00 H new ATOM 0 HA ALA A 23 -32.540 0.900 -33.536 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -32.846 3.160 -32.581 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -34.310 2.164 -32.401 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -33.239 2.433 -31.005 1.00 0.00 H new ATOM 310 N ASN A 24 -30.698 1.097 -30.809 1.00 0.00 N ATOM 311 CA ASN A 24 -29.328 1.250 -30.332 1.00 0.00 C ATOM 312 C ASN A 24 -28.366 0.405 -31.160 1.00 0.00 C ATOM 313 O ASN A 24 -27.537 0.935 -31.902 1.00 0.00 O ATOM 314 CB ASN A 24 -29.233 0.853 -28.857 1.00 0.00 C ATOM 315 CG ASN A 24 -29.426 2.036 -27.927 1.00 0.00 C ATOM 316 OD1 ASN A 24 -30.251 1.993 -27.014 1.00 0.00 O ATOM 317 ND2 ASN A 24 -28.663 3.098 -28.155 1.00 0.00 N ATOM 0 H ASN A 24 -31.377 0.881 -30.079 1.00 0.00 H new ATOM 0 HA ASN A 24 -29.047 2.298 -30.439 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -29.986 0.095 -28.638 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -28.260 0.400 -28.667 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -28.747 3.923 -27.562 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -27.993 3.089 -28.924 1.00 0.00 H new ATOM 324 N LEU A 25 -28.481 -0.912 -31.030 1.00 0.00 N ATOM 325 CA LEU A 25 -27.621 -1.832 -31.767 1.00 0.00 C ATOM 326 C LEU A 25 -27.339 -1.306 -33.171 1.00 0.00 C ATOM 327 O LEU A 25 -26.204 -1.350 -33.644 1.00 0.00 O ATOM 328 CB LEU A 25 -28.272 -3.214 -31.849 1.00 0.00 C ATOM 329 CG LEU A 25 -27.377 -4.348 -32.350 1.00 0.00 C ATOM 330 CD1 LEU A 25 -26.128 -4.463 -31.490 1.00 0.00 C ATOM 331 CD2 LEU A 25 -28.141 -5.664 -32.363 1.00 0.00 C ATOM 0 H LEU A 25 -29.161 -1.367 -30.421 1.00 0.00 H new ATOM 0 HA LEU A 25 -26.675 -1.914 -31.232 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -28.641 -3.479 -30.858 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -29.140 -3.146 -32.505 1.00 0.00 H new ATOM 0 HG LEU A 25 -27.070 -4.119 -33.370 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -25.504 -5.275 -31.862 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -25.570 -3.528 -31.532 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -26.414 -4.669 -30.459 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -27.489 -6.460 -32.722 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -28.478 -5.899 -31.353 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -29.004 -5.577 -33.023 1.00 0.00 H new ATOM 343 N ASN A 26 -28.379 -0.808 -33.832 1.00 0.00 N ATOM 344 CA ASN A 26 -28.243 -0.273 -35.181 1.00 0.00 C ATOM 345 C ASN A 26 -27.257 0.892 -35.207 1.00 0.00 C ATOM 346 O ASN A 26 -26.330 0.916 -36.017 1.00 0.00 O ATOM 347 CB ASN A 26 -29.603 0.185 -35.711 1.00 0.00 C ATOM 348 CG ASN A 26 -30.573 -0.968 -35.885 1.00 0.00 C ATOM 349 OD1 ASN A 26 -30.630 -1.592 -36.945 1.00 0.00 O ATOM 350 ND2 ASN A 26 -31.343 -1.256 -34.842 1.00 0.00 N ATOM 0 H ASN A 26 -29.326 -0.764 -33.455 1.00 0.00 H new ATOM 0 HA ASN A 26 -27.859 -1.067 -35.822 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -30.030 0.916 -35.024 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -29.466 0.689 -36.668 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -32.015 -2.021 -34.900 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -31.262 -0.712 -33.983 1.00 0.00 H new ATOM 357 N VAL A 27 -27.464 1.855 -34.315 1.00 0.00 N ATOM 358 CA VAL A 27 -26.593 3.021 -34.234 1.00 0.00 C ATOM 359 C VAL A 27 -25.171 2.621 -33.856 1.00 0.00 C ATOM 360 O VAL A 27 -24.201 3.223 -34.318 1.00 0.00 O ATOM 361 CB VAL A 27 -27.116 4.042 -33.206 1.00 0.00 C ATOM 362 CG1 VAL A 27 -26.456 3.825 -31.853 1.00 0.00 C ATOM 363 CG2 VAL A 27 -26.884 5.462 -33.700 1.00 0.00 C ATOM 0 H VAL A 27 -28.227 1.851 -33.638 1.00 0.00 H new ATOM 0 HA VAL A 27 -26.588 3.480 -35.223 1.00 0.00 H new ATOM 0 HB VAL A 27 -28.189 3.894 -33.087 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -26.838 4.556 -31.140 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -26.679 2.819 -31.497 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -25.377 3.944 -31.951 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -27.260 6.170 -32.961 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -25.817 5.625 -33.849 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -27.409 5.609 -34.644 1.00 0.00 H new ATOM 373 N HIS A 28 -25.054 1.599 -33.014 1.00 0.00 N ATOM 374 CA HIS A 28 -23.750 1.115 -32.575 1.00 0.00 C ATOM 375 C HIS A 28 -22.982 0.492 -33.737 1.00 0.00 C ATOM 376 O HIS A 28 -21.771 0.678 -33.866 1.00 0.00 O ATOM 377 CB HIS A 28 -23.913 0.094 -31.449 1.00 0.00 C ATOM 378 CG HIS A 28 -22.644 -0.621 -31.100 1.00 0.00 C ATOM 379 ND1 HIS A 28 -21.751 -0.152 -30.160 1.00 0.00 N ATOM 380 CD2 HIS A 28 -22.121 -1.777 -31.569 1.00 0.00 C ATOM 381 CE1 HIS A 28 -20.733 -0.988 -30.067 1.00 0.00 C ATOM 382 NE2 HIS A 28 -20.933 -1.984 -30.912 1.00 0.00 N ATOM 0 H HIS A 28 -25.846 1.090 -32.622 1.00 0.00 H new ATOM 0 HA HIS A 28 -23.181 1.967 -32.202 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -24.290 0.602 -30.561 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -24.665 -0.639 -31.741 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -21.860 0.707 -29.621 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -22.557 -2.418 -32.321 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -19.882 -0.877 -29.412 1.00 0.00 H new ATOM 390 N LEU A 29 -23.693 -0.250 -34.579 1.00 0.00 N ATOM 391 CA LEU A 29 -23.079 -0.902 -35.730 1.00 0.00 C ATOM 392 C LEU A 29 -22.553 0.129 -36.724 1.00 0.00 C ATOM 393 O LEU A 29 -21.656 -0.160 -37.516 1.00 0.00 O ATOM 394 CB LEU A 29 -24.088 -1.822 -36.418 1.00 0.00 C ATOM 395 CG LEU A 29 -24.593 -3.004 -35.590 1.00 0.00 C ATOM 396 CD1 LEU A 29 -25.952 -3.466 -36.091 1.00 0.00 C ATOM 397 CD2 LEU A 29 -23.591 -4.149 -35.628 1.00 0.00 C ATOM 0 H LEU A 29 -24.695 -0.415 -34.486 1.00 0.00 H new ATOM 0 HA LEU A 29 -22.238 -1.497 -35.373 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -24.947 -1.223 -36.721 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -23.633 -2.211 -37.329 1.00 0.00 H new ATOM 0 HG LEU A 29 -24.702 -2.677 -34.556 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -26.295 -4.308 -35.489 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -26.667 -2.647 -36.010 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -25.870 -3.775 -37.133 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -23.967 -4.981 -35.033 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -23.449 -4.474 -36.659 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -22.638 -3.812 -35.219 1.00 0.00 H new ATOM 409 N ARG A 30 -23.116 1.331 -36.675 1.00 0.00 N ATOM 410 CA ARG A 30 -22.704 2.406 -37.570 1.00 0.00 C ATOM 411 C ARG A 30 -21.218 2.710 -37.405 1.00 0.00 C ATOM 412 O ARG A 30 -20.562 3.181 -38.334 1.00 0.00 O ATOM 413 CB ARG A 30 -23.527 3.667 -37.301 1.00 0.00 C ATOM 414 CG ARG A 30 -25.004 3.510 -37.624 1.00 0.00 C ATOM 415 CD ARG A 30 -25.784 4.773 -37.292 1.00 0.00 C ATOM 416 NE ARG A 30 -25.312 5.925 -38.056 1.00 0.00 N ATOM 417 CZ ARG A 30 -25.626 6.140 -39.329 1.00 0.00 C ATOM 418 NH1 ARG A 30 -26.408 5.288 -39.976 1.00 0.00 N ATOM 419 NH2 ARG A 30 -25.157 7.212 -39.956 1.00 0.00 N ATOM 0 H ARG A 30 -23.859 1.586 -36.025 1.00 0.00 H new ATOM 0 HA ARG A 30 -22.879 2.079 -38.595 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -23.420 3.943 -36.252 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -23.120 4.489 -37.890 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -25.123 3.275 -38.682 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -25.413 2.670 -37.062 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -26.842 4.610 -37.498 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -25.696 4.984 -36.226 1.00 0.00 H new ATOM 0 HE ARG A 30 -24.709 6.601 -37.587 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -26.771 4.464 -39.497 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -26.647 5.456 -40.953 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -24.556 7.870 -39.460 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -25.398 7.377 -40.933 1.00 0.00 H new ATOM 433 N LYS A 31 -20.692 2.439 -36.215 1.00 0.00 N ATOM 434 CA LYS A 31 -19.284 2.683 -35.926 1.00 0.00 C ATOM 435 C LYS A 31 -18.405 1.609 -36.558 1.00 0.00 C ATOM 436 O LYS A 31 -17.232 1.844 -36.850 1.00 0.00 O ATOM 437 CB LYS A 31 -19.052 2.724 -34.414 1.00 0.00 C ATOM 438 CG LYS A 31 -20.008 3.644 -33.676 1.00 0.00 C ATOM 439 CD LYS A 31 -19.719 3.669 -32.185 1.00 0.00 C ATOM 440 CE LYS A 31 -20.982 3.921 -31.376 1.00 0.00 C ATOM 441 NZ LYS A 31 -20.725 3.852 -29.910 1.00 0.00 N ATOM 0 H LYS A 31 -21.221 2.050 -35.434 1.00 0.00 H new ATOM 0 HA LYS A 31 -19.013 3.648 -36.355 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -19.149 1.715 -34.013 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -18.029 3.047 -34.221 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -19.928 4.653 -34.080 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -21.033 3.314 -33.843 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.276 2.720 -31.883 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -18.986 4.446 -31.968 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -21.385 4.902 -31.628 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -21.740 3.186 -31.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -21.610 4.029 -29.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.364 2.908 -29.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -20.021 4.571 -29.647 1.00 0.00 H new ATOM 455 N HIS A 32 -18.980 0.428 -36.768 1.00 0.00 N ATOM 456 CA HIS A 32 -18.249 -0.682 -37.367 1.00 0.00 C ATOM 457 C HIS A 32 -18.190 -0.538 -38.885 1.00 0.00 C ATOM 458 O HIS A 32 -17.984 -1.516 -39.605 1.00 0.00 O ATOM 459 CB HIS A 32 -18.904 -2.012 -36.994 1.00 0.00 C ATOM 460 CG HIS A 32 -18.614 -2.450 -35.591 1.00 0.00 C ATOM 461 ND1 HIS A 32 -17.339 -2.684 -35.124 1.00 0.00 N ATOM 462 CD2 HIS A 32 -19.445 -2.694 -34.551 1.00 0.00 C ATOM 463 CE1 HIS A 32 -17.397 -3.056 -33.858 1.00 0.00 C ATOM 464 NE2 HIS A 32 -18.664 -3.069 -33.486 1.00 0.00 N ATOM 0 H HIS A 32 -19.949 0.216 -36.532 1.00 0.00 H new ATOM 0 HA HIS A 32 -17.231 -0.666 -36.979 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -19.983 -1.925 -37.123 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -18.561 -2.783 -37.685 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -16.484 -2.585 -35.671 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -20.522 -2.609 -34.558 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -16.552 -3.307 -33.234 1.00 0.00 H new ATOM 472 N THR A 33 -18.374 0.688 -39.366 1.00 0.00 N ATOM 473 CA THR A 33 -18.345 0.959 -40.797 1.00 0.00 C ATOM 474 C THR A 33 -17.101 1.753 -41.181 1.00 0.00 C ATOM 475 O THR A 33 -16.674 1.737 -42.334 1.00 0.00 O ATOM 476 CB THR A 33 -19.595 1.738 -41.247 1.00 0.00 C ATOM 477 OG1 THR A 33 -19.595 3.045 -40.664 1.00 0.00 O ATOM 478 CG2 THR A 33 -20.865 1.000 -40.849 1.00 0.00 C ATOM 0 H THR A 33 -18.545 1.509 -38.785 1.00 0.00 H new ATOM 0 HA THR A 33 -18.327 -0.007 -41.301 1.00 0.00 H new ATOM 0 HB THR A 33 -19.569 1.826 -42.333 1.00 0.00 H new ATOM 0 HG1 THR A 33 -19.645 2.968 -39.688 1.00 0.00 H new ATOM 0 HG21 THR A 33 -21.735 1.569 -41.177 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.877 0.016 -41.319 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.895 0.885 -39.765 1.00 0.00 H new ATOM 486 N GLY A 34 -16.523 2.447 -40.205 1.00 0.00 N ATOM 487 CA GLY A 34 -15.333 3.237 -40.461 1.00 0.00 C ATOM 488 C GLY A 34 -14.131 2.744 -39.680 1.00 0.00 C ATOM 489 O GLY A 34 -14.030 1.558 -39.368 1.00 0.00 O ATOM 0 H GLY A 34 -16.858 2.476 -39.242 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.106 3.211 -41.527 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.529 4.278 -40.202 1.00 0.00 H new ATOM 493 N GLU A 35 -13.216 3.656 -39.367 1.00 0.00 N ATOM 494 CA GLU A 35 -12.013 3.305 -38.620 1.00 0.00 C ATOM 495 C GLU A 35 -12.297 3.261 -37.121 1.00 0.00 C ATOM 496 O GLU A 35 -13.002 4.117 -36.585 1.00 0.00 O ATOM 497 CB GLU A 35 -10.896 4.309 -38.909 1.00 0.00 C ATOM 498 CG GLU A 35 -9.500 3.733 -38.738 1.00 0.00 C ATOM 499 CD GLU A 35 -9.126 2.771 -39.849 1.00 0.00 C ATOM 500 OE1 GLU A 35 -9.612 2.959 -40.984 1.00 0.00 O ATOM 501 OE2 GLU A 35 -8.347 1.832 -39.584 1.00 0.00 O ATOM 0 H GLU A 35 -13.284 4.642 -39.619 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.693 2.314 -38.941 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.005 4.678 -39.929 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.010 5.167 -38.246 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.776 4.547 -38.709 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.439 3.217 -37.780 1.00 0.00 H new ATOM 508 N LYS A 36 -11.743 2.257 -36.450 1.00 0.00 N ATOM 509 CA LYS A 36 -11.935 2.100 -35.013 1.00 0.00 C ATOM 510 C LYS A 36 -10.600 2.154 -34.277 1.00 0.00 C ATOM 511 O LYS A 36 -9.866 1.167 -34.227 1.00 0.00 O ATOM 512 CB LYS A 36 -12.640 0.775 -34.714 1.00 0.00 C ATOM 513 CG LYS A 36 -14.147 0.834 -34.895 1.00 0.00 C ATOM 514 CD LYS A 36 -14.867 0.907 -33.559 1.00 0.00 C ATOM 515 CE LYS A 36 -14.772 2.297 -32.949 1.00 0.00 C ATOM 516 NZ LYS A 36 -15.717 2.469 -31.811 1.00 0.00 N ATOM 0 H LYS A 36 -11.157 1.540 -36.878 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.557 2.923 -34.663 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.234 0.002 -35.366 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.417 0.477 -33.689 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -14.408 1.704 -35.498 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -14.483 -0.046 -35.443 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -15.915 0.639 -33.694 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.437 0.177 -32.873 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.753 2.474 -32.605 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.984 3.044 -33.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.540 3.383 -31.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -16.695 2.443 -32.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.577 1.700 -31.124 1.00 0.00 H new ATOM 530 N PHE A 37 -10.291 3.314 -33.706 1.00 0.00 N ATOM 531 CA PHE A 37 -9.044 3.496 -32.972 1.00 0.00 C ATOM 532 C PHE A 37 -9.219 3.126 -31.502 1.00 0.00 C ATOM 533 O PHE A 37 -9.661 3.942 -30.693 1.00 0.00 O ATOM 534 CB PHE A 37 -8.565 4.945 -33.091 1.00 0.00 C ATOM 535 CG PHE A 37 -8.580 5.467 -34.499 1.00 0.00 C ATOM 536 CD1 PHE A 37 -7.514 5.230 -35.351 1.00 0.00 C ATOM 537 CD2 PHE A 37 -9.661 6.195 -34.970 1.00 0.00 C ATOM 538 CE1 PHE A 37 -7.525 5.711 -36.647 1.00 0.00 C ATOM 539 CE2 PHE A 37 -9.678 6.678 -36.265 1.00 0.00 C ATOM 540 CZ PHE A 37 -8.609 6.434 -37.105 1.00 0.00 C ATOM 0 H PHE A 37 -10.887 4.141 -33.738 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.295 2.835 -33.408 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -9.196 5.580 -32.470 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.552 5.018 -32.696 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.665 4.663 -34.999 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -10.500 6.387 -34.318 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.687 5.522 -37.301 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.526 7.245 -36.620 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.621 6.808 -38.118 1.00 0.00 H new ATOM 550 N ALA A 38 -8.870 1.889 -31.164 1.00 0.00 N ATOM 551 CA ALA A 38 -8.986 1.410 -29.793 1.00 0.00 C ATOM 552 C ALA A 38 -7.859 1.956 -28.923 1.00 0.00 C ATOM 553 O ALA A 38 -6.791 2.310 -29.423 1.00 0.00 O ATOM 554 CB ALA A 38 -8.988 -0.112 -29.763 1.00 0.00 C ATOM 0 H ALA A 38 -8.504 1.200 -31.822 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.931 1.772 -29.388 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.075 -0.455 -28.732 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.832 -0.486 -30.343 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.058 -0.486 -30.192 1.00 0.00 H new ATOM 560 N CYS A 39 -8.104 2.023 -27.618 1.00 0.00 N ATOM 561 CA CYS A 39 -7.111 2.527 -26.678 1.00 0.00 C ATOM 562 C CYS A 39 -6.047 1.471 -26.392 1.00 0.00 C ATOM 563 O CYS A 39 -6.357 0.290 -26.233 1.00 0.00 O ATOM 564 CB CYS A 39 -7.785 2.955 -25.373 1.00 0.00 C ATOM 565 SG CYS A 39 -6.631 3.591 -24.114 1.00 0.00 S ATOM 0 H CYS A 39 -8.983 1.734 -27.188 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.626 3.393 -27.129 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.525 3.724 -25.594 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -8.325 2.103 -24.959 1.00 0.00 H new ATOM 570 N ASP A 40 -4.793 1.905 -26.328 1.00 0.00 N ATOM 571 CA ASP A 40 -3.683 0.998 -26.060 1.00 0.00 C ATOM 572 C ASP A 40 -3.489 0.806 -24.559 1.00 0.00 C ATOM 573 O ASP A 40 -2.425 0.378 -24.110 1.00 0.00 O ATOM 574 CB ASP A 40 -2.396 1.534 -26.688 1.00 0.00 C ATOM 575 CG ASP A 40 -1.447 0.425 -27.098 1.00 0.00 C ATOM 576 OD1 ASP A 40 -1.873 -0.471 -27.856 1.00 0.00 O ATOM 577 OD2 ASP A 40 -0.277 0.455 -26.663 1.00 0.00 O ATOM 0 H ASP A 40 -4.520 2.879 -26.458 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.920 0.031 -26.505 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.645 2.137 -27.561 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.896 2.193 -25.978 1.00 0.00 H new ATOM 582 N TYR A 41 -4.523 1.126 -23.788 1.00 0.00 N ATOM 583 CA TYR A 41 -4.465 0.991 -22.337 1.00 0.00 C ATOM 584 C TYR A 41 -5.643 0.172 -21.819 1.00 0.00 C ATOM 585 O TYR A 41 -5.499 -0.628 -20.894 1.00 0.00 O ATOM 586 CB TYR A 41 -4.458 2.371 -21.676 1.00 0.00 C ATOM 587 CG TYR A 41 -3.279 3.228 -22.076 1.00 0.00 C ATOM 588 CD1 TYR A 41 -3.132 3.676 -23.383 1.00 0.00 C ATOM 589 CD2 TYR A 41 -2.312 3.591 -21.147 1.00 0.00 C ATOM 590 CE1 TYR A 41 -2.055 4.459 -23.754 1.00 0.00 C ATOM 591 CE2 TYR A 41 -1.233 4.375 -21.508 1.00 0.00 C ATOM 592 CZ TYR A 41 -1.109 4.806 -22.812 1.00 0.00 C ATOM 593 OH TYR A 41 -0.036 5.587 -23.177 1.00 0.00 O ATOM 0 H TYR A 41 -5.411 1.480 -24.144 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.543 0.469 -22.082 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.380 2.893 -21.934 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.455 2.246 -20.593 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.872 3.408 -24.122 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.405 3.255 -20.125 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.955 4.797 -24.775 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.491 4.649 -20.773 1.00 0.00 H new ATOM 0 HH TYR A 41 0.536 5.742 -22.397 1.00 0.00 H new ATOM 603 N CYS A 42 -6.809 0.378 -22.422 1.00 0.00 N ATOM 604 CA CYS A 42 -8.014 -0.340 -22.023 1.00 0.00 C ATOM 605 C CYS A 42 -8.808 -0.791 -23.246 1.00 0.00 C ATOM 606 O CYS A 42 -8.369 -0.616 -24.383 1.00 0.00 O ATOM 607 CB CYS A 42 -8.888 0.544 -21.131 1.00 0.00 C ATOM 608 SG CYS A 42 -9.571 2.007 -21.975 1.00 0.00 S ATOM 0 H CYS A 42 -6.945 1.036 -23.189 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.711 -1.224 -21.462 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.711 -0.054 -20.740 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.299 0.874 -20.275 1.00 0.00 H new ATOM 613 N SER A 43 -9.978 -1.372 -23.003 1.00 0.00 N ATOM 614 CA SER A 43 -10.832 -1.851 -24.083 1.00 0.00 C ATOM 615 C SER A 43 -11.711 -0.726 -24.621 1.00 0.00 C ATOM 616 O SER A 43 -12.856 -0.951 -25.016 1.00 0.00 O ATOM 617 CB SER A 43 -11.707 -3.008 -23.595 1.00 0.00 C ATOM 618 OG SER A 43 -12.388 -3.622 -24.675 1.00 0.00 O ATOM 0 H SER A 43 -10.356 -1.522 -22.068 1.00 0.00 H new ATOM 0 HA SER A 43 -10.190 -2.205 -24.890 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.088 -3.746 -23.084 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.430 -2.640 -22.867 1.00 0.00 H new ATOM 0 HG SER A 43 -12.862 -2.939 -25.194 1.00 0.00 H new ATOM 624 N PHE A 44 -11.168 0.487 -24.632 1.00 0.00 N ATOM 625 CA PHE A 44 -11.902 1.649 -25.120 1.00 0.00 C ATOM 626 C PHE A 44 -11.725 1.811 -26.627 1.00 0.00 C ATOM 627 O PHE A 44 -10.721 1.381 -27.196 1.00 0.00 O ATOM 628 CB PHE A 44 -11.431 2.915 -24.401 1.00 0.00 C ATOM 629 CG PHE A 44 -11.986 4.180 -24.989 1.00 0.00 C ATOM 630 CD1 PHE A 44 -13.205 4.683 -24.561 1.00 0.00 C ATOM 631 CD2 PHE A 44 -11.290 4.868 -25.970 1.00 0.00 C ATOM 632 CE1 PHE A 44 -13.718 5.846 -25.102 1.00 0.00 C ATOM 633 CE2 PHE A 44 -11.798 6.032 -26.514 1.00 0.00 C ATOM 634 CZ PHE A 44 -13.013 6.523 -26.078 1.00 0.00 C ATOM 0 H PHE A 44 -10.222 0.691 -24.309 1.00 0.00 H new ATOM 0 HA PHE A 44 -12.960 1.493 -24.911 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -11.718 2.855 -23.351 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.342 2.957 -24.432 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -13.760 4.160 -23.796 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -10.339 4.490 -26.314 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -14.670 6.226 -24.762 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.246 6.557 -27.279 1.00 0.00 H new ATOM 0 HZ PHE A 44 -13.411 7.434 -26.499 1.00 0.00 H new ATOM 644 N THR A 45 -12.708 2.435 -27.269 1.00 0.00 N ATOM 645 CA THR A 45 -12.663 2.653 -28.709 1.00 0.00 C ATOM 646 C THR A 45 -13.324 3.973 -29.086 1.00 0.00 C ATOM 647 O THR A 45 -14.159 4.494 -28.346 1.00 0.00 O ATOM 648 CB THR A 45 -13.355 1.508 -29.472 1.00 0.00 C ATOM 649 OG1 THR A 45 -14.628 1.224 -28.881 1.00 0.00 O ATOM 650 CG2 THR A 45 -12.495 0.253 -29.463 1.00 0.00 C ATOM 0 H THR A 45 -13.545 2.798 -26.814 1.00 0.00 H new ATOM 0 HA THR A 45 -11.611 2.684 -28.992 1.00 0.00 H new ATOM 0 HB THR A 45 -13.497 1.824 -30.505 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.062 0.496 -29.373 1.00 0.00 H new ATOM 0 HG21 THR A 45 -13.005 -0.541 -30.008 1.00 0.00 H new ATOM 0 HG22 THR A 45 -11.538 0.464 -29.940 1.00 0.00 H new ATOM 0 HG23 THR A 45 -12.325 -0.064 -28.434 1.00 0.00 H new ATOM 658 N CYS A 46 -12.948 4.509 -30.242 1.00 0.00 N ATOM 659 CA CYS A 46 -13.505 5.770 -30.718 1.00 0.00 C ATOM 660 C CYS A 46 -13.446 5.851 -32.239 1.00 0.00 C ATOM 661 O CYS A 46 -12.734 5.081 -32.886 1.00 0.00 O ATOM 662 CB CYS A 46 -12.751 6.950 -30.102 1.00 0.00 C ATOM 663 SG CYS A 46 -13.665 8.509 -30.135 1.00 0.00 S ATOM 0 H CYS A 46 -12.260 4.090 -30.867 1.00 0.00 H new ATOM 0 HA CYS A 46 -14.550 5.816 -30.411 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -12.503 6.709 -29.068 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -11.809 7.082 -30.634 1.00 0.00 H new ATOM 0 HG CYS A 46 -13.479 9.145 -29.017 1.00 0.00 H new ATOM 669 N LEU A 47 -14.199 6.787 -32.806 1.00 0.00 N ATOM 670 CA LEU A 47 -14.234 6.968 -34.254 1.00 0.00 C ATOM 671 C LEU A 47 -13.318 8.110 -34.682 1.00 0.00 C ATOM 672 O LEU A 47 -13.006 8.259 -35.863 1.00 0.00 O ATOM 673 CB LEU A 47 -15.665 7.245 -34.718 1.00 0.00 C ATOM 674 CG LEU A 47 -16.556 6.019 -34.915 1.00 0.00 C ATOM 675 CD1 LEU A 47 -15.882 5.010 -35.832 1.00 0.00 C ATOM 676 CD2 LEU A 47 -16.891 5.382 -33.574 1.00 0.00 C ATOM 0 H LEU A 47 -14.793 7.432 -32.286 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.879 6.049 -34.720 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -16.141 7.902 -33.990 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.621 7.792 -35.660 1.00 0.00 H new ATOM 0 HG LEU A 47 -17.485 6.342 -35.384 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -16.532 4.144 -35.960 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -15.694 5.469 -36.802 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -14.937 4.692 -35.391 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -17.526 4.511 -33.734 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.971 5.074 -33.077 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -17.416 6.104 -32.949 1.00 0.00 H new ATOM 688 N SER A 48 -12.889 8.913 -33.713 1.00 0.00 N ATOM 689 CA SER A 48 -12.009 10.042 -33.990 1.00 0.00 C ATOM 690 C SER A 48 -10.664 9.867 -33.292 1.00 0.00 C ATOM 691 O SER A 48 -10.546 10.072 -32.084 1.00 0.00 O ATOM 692 CB SER A 48 -12.665 11.349 -33.538 1.00 0.00 C ATOM 693 OG SER A 48 -12.169 12.451 -34.278 1.00 0.00 O ATOM 0 H SER A 48 -13.137 8.802 -32.730 1.00 0.00 H new ATOM 0 HA SER A 48 -11.837 10.082 -35.066 1.00 0.00 H new ATOM 0 HB2 SER A 48 -13.746 11.280 -33.663 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.477 11.506 -32.476 1.00 0.00 H new ATOM 0 HG SER A 48 -12.605 13.274 -33.972 1.00 0.00 H new ATOM 699 N LYS A 49 -9.650 9.487 -34.062 1.00 0.00 N ATOM 700 CA LYS A 49 -8.312 9.284 -33.521 1.00 0.00 C ATOM 701 C LYS A 49 -7.947 10.395 -32.542 1.00 0.00 C ATOM 702 O LYS A 49 -7.300 10.152 -31.524 1.00 0.00 O ATOM 703 CB LYS A 49 -7.284 9.230 -34.654 1.00 0.00 C ATOM 704 CG LYS A 49 -7.490 10.300 -35.713 1.00 0.00 C ATOM 705 CD LYS A 49 -8.359 9.796 -36.852 1.00 0.00 C ATOM 706 CE LYS A 49 -7.905 10.359 -38.191 1.00 0.00 C ATOM 707 NZ LYS A 49 -9.039 10.505 -39.145 1.00 0.00 N ATOM 0 H LYS A 49 -9.730 9.313 -35.064 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.304 8.335 -32.986 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.285 9.336 -34.232 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.328 8.249 -35.127 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.954 11.177 -35.261 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.523 10.617 -36.104 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.324 8.707 -36.883 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.397 10.077 -36.671 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.434 11.330 -38.036 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.149 9.703 -38.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.688 10.891 -40.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.473 9.575 -39.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.749 11.151 -38.744 1.00 0.00 H new ATOM 721 N GLY A 50 -8.367 11.617 -32.857 1.00 0.00 N ATOM 722 CA GLY A 50 -8.076 12.747 -31.994 1.00 0.00 C ATOM 723 C GLY A 50 -8.586 12.544 -30.581 1.00 0.00 C ATOM 724 O GLY A 50 -7.810 12.555 -29.625 1.00 0.00 O ATOM 0 H GLY A 50 -8.903 11.844 -33.694 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.999 12.912 -31.968 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.527 13.646 -32.414 1.00 0.00 H new ATOM 728 N HIS A 51 -9.896 12.359 -30.447 1.00 0.00 N ATOM 729 CA HIS A 51 -10.509 12.154 -29.139 1.00 0.00 C ATOM 730 C HIS A 51 -9.804 11.035 -28.378 1.00 0.00 C ATOM 731 O HIS A 51 -9.497 11.173 -27.194 1.00 0.00 O ATOM 732 CB HIS A 51 -11.994 11.824 -29.295 1.00 0.00 C ATOM 733 CG HIS A 51 -12.813 12.167 -28.089 1.00 0.00 C ATOM 734 ND1 HIS A 51 -14.173 12.388 -28.142 1.00 0.00 N ATOM 735 CD2 HIS A 51 -12.457 12.325 -26.793 1.00 0.00 C ATOM 736 CE1 HIS A 51 -14.618 12.669 -26.930 1.00 0.00 C ATOM 737 NE2 HIS A 51 -13.597 12.637 -26.093 1.00 0.00 N ATOM 0 H HIS A 51 -10.553 12.347 -31.227 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.407 13.077 -28.568 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.389 12.362 -30.157 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -12.101 10.760 -29.506 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -11.462 12.225 -26.385 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -15.643 12.888 -26.668 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -13.647 12.815 -25.090 1.00 0.00 H new ATOM 745 N LEU A 52 -9.552 9.926 -29.066 1.00 0.00 N ATOM 746 CA LEU A 52 -8.884 8.782 -28.455 1.00 0.00 C ATOM 747 C LEU A 52 -7.680 9.230 -27.632 1.00 0.00 C ATOM 748 O LEU A 52 -7.467 8.759 -26.515 1.00 0.00 O ATOM 749 CB LEU A 52 -8.440 7.791 -29.532 1.00 0.00 C ATOM 750 CG LEU A 52 -7.468 6.700 -29.080 1.00 0.00 C ATOM 751 CD1 LEU A 52 -8.093 5.848 -27.987 1.00 0.00 C ATOM 752 CD2 LEU A 52 -7.051 5.835 -30.261 1.00 0.00 C ATOM 0 H LEU A 52 -9.800 9.795 -30.047 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.594 8.291 -27.789 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.328 7.311 -29.944 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.975 8.351 -30.343 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.577 7.179 -28.674 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.387 5.077 -27.678 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.340 6.477 -27.132 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.000 5.378 -28.366 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.359 5.064 -29.921 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.933 5.365 -30.697 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.562 6.456 -31.012 1.00 0.00 H new ATOM 764 N LYS A 53 -6.895 10.145 -28.192 1.00 0.00 N ATOM 765 CA LYS A 53 -5.714 10.661 -27.510 1.00 0.00 C ATOM 766 C LYS A 53 -6.091 11.306 -26.180 1.00 0.00 C ATOM 767 O LYS A 53 -5.441 11.076 -25.161 1.00 0.00 O ATOM 768 CB LYS A 53 -4.992 11.678 -28.396 1.00 0.00 C ATOM 769 CG LYS A 53 -4.086 12.622 -27.625 1.00 0.00 C ATOM 770 CD LYS A 53 -3.556 13.736 -28.512 1.00 0.00 C ATOM 771 CE LYS A 53 -3.309 15.010 -27.719 1.00 0.00 C ATOM 772 NZ LYS A 53 -2.308 15.891 -28.383 1.00 0.00 N ATOM 0 H LYS A 53 -7.056 10.544 -29.117 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.046 9.823 -27.310 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.399 11.144 -29.138 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.733 12.263 -28.941 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.636 13.053 -26.788 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.251 12.063 -27.204 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.628 13.415 -28.985 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.269 13.936 -29.312 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.247 15.552 -27.600 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.960 14.753 -26.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.167 16.749 -27.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.405 15.383 -28.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.652 16.157 -29.328 1.00 0.00 H new ATOM 786 N VAL A 54 -7.146 12.114 -26.198 1.00 0.00 N ATOM 787 CA VAL A 54 -7.612 12.791 -24.993 1.00 0.00 C ATOM 788 C VAL A 54 -8.062 11.786 -23.938 1.00 0.00 C ATOM 789 O VAL A 54 -7.819 11.972 -22.745 1.00 0.00 O ATOM 790 CB VAL A 54 -8.776 13.750 -25.303 1.00 0.00 C ATOM 791 CG1 VAL A 54 -9.298 14.387 -24.024 1.00 0.00 C ATOM 792 CG2 VAL A 54 -8.339 14.814 -26.298 1.00 0.00 C ATOM 0 H VAL A 54 -7.695 12.316 -27.034 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.771 13.366 -24.607 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.587 13.176 -25.752 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.120 15.062 -24.263 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.652 13.609 -23.348 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.496 14.948 -23.543 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.174 15.483 -26.506 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.511 15.386 -25.879 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.018 14.336 -27.224 1.00 0.00 H new ATOM 802 N HIS A 55 -8.718 10.720 -24.386 1.00 0.00 N ATOM 803 CA HIS A 55 -9.201 9.685 -23.480 1.00 0.00 C ATOM 804 C HIS A 55 -8.085 9.206 -22.556 1.00 0.00 C ATOM 805 O HIS A 55 -8.310 8.961 -21.371 1.00 0.00 O ATOM 806 CB HIS A 55 -9.763 8.505 -24.274 1.00 0.00 C ATOM 807 CG HIS A 55 -9.775 7.218 -23.507 1.00 0.00 C ATOM 808 ND1 HIS A 55 -10.776 6.879 -22.621 1.00 0.00 N ATOM 809 CD2 HIS A 55 -8.901 6.185 -23.498 1.00 0.00 C ATOM 810 CE1 HIS A 55 -10.516 5.693 -22.100 1.00 0.00 C ATOM 811 NE2 HIS A 55 -9.384 5.250 -22.616 1.00 0.00 N ATOM 0 H HIS A 55 -8.927 10.551 -25.370 1.00 0.00 H new ATOM 0 HA HIS A 55 -9.995 10.114 -22.869 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -10.780 8.741 -24.588 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -9.172 8.373 -25.180 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -11.590 7.454 -22.402 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.992 6.110 -24.077 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.126 5.174 -21.375 1.00 0.00 H new ATOM 819 N ILE A 56 -6.883 9.075 -23.108 1.00 0.00 N ATOM 820 CA ILE A 56 -5.733 8.627 -22.333 1.00 0.00 C ATOM 821 C ILE A 56 -5.178 9.755 -21.470 1.00 0.00 C ATOM 822 O ILE A 56 -4.752 9.530 -20.337 1.00 0.00 O ATOM 823 CB ILE A 56 -4.612 8.095 -23.246 1.00 0.00 C ATOM 824 CG1 ILE A 56 -5.086 6.851 -24.000 1.00 0.00 C ATOM 825 CG2 ILE A 56 -3.366 7.785 -22.430 1.00 0.00 C ATOM 826 CD1 ILE A 56 -4.369 6.631 -25.314 1.00 0.00 C ATOM 0 H ILE A 56 -6.681 9.273 -24.088 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.081 7.819 -21.690 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.361 8.865 -23.976 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.943 5.976 -23.366 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.156 6.936 -24.189 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.583 7.410 -23.089 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.020 8.693 -21.935 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.601 7.030 -21.680 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.756 5.732 -25.794 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.533 7.489 -25.966 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.301 6.513 -25.130 1.00 0.00 H new ATOM 838 N GLU A 57 -5.188 10.968 -22.012 1.00 0.00 N ATOM 839 CA GLU A 57 -4.686 12.131 -21.290 1.00 0.00 C ATOM 840 C GLU A 57 -5.665 12.559 -20.200 1.00 0.00 C ATOM 841 O GLU A 57 -5.353 13.415 -19.372 1.00 0.00 O ATOM 842 CB GLU A 57 -4.442 13.293 -22.256 1.00 0.00 C ATOM 843 CG GLU A 57 -3.595 12.916 -23.460 1.00 0.00 C ATOM 844 CD GLU A 57 -2.117 13.168 -23.235 1.00 0.00 C ATOM 845 OE1 GLU A 57 -1.503 12.428 -22.438 1.00 0.00 O ATOM 846 OE2 GLU A 57 -1.574 14.106 -23.856 1.00 0.00 O ATOM 0 H GLU A 57 -5.538 11.171 -22.948 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.742 11.855 -20.819 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.403 13.674 -22.603 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.953 14.105 -21.718 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.749 11.862 -23.692 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.929 13.486 -24.327 1.00 0.00 H new ATOM 853 N ARG A 58 -6.849 11.956 -20.208 1.00 0.00 N ATOM 854 CA ARG A 58 -7.875 12.275 -19.221 1.00 0.00 C ATOM 855 C ARG A 58 -8.152 11.077 -18.318 1.00 0.00 C ATOM 856 O ARG A 58 -8.413 11.233 -17.125 1.00 0.00 O ATOM 857 CB ARG A 58 -9.165 12.711 -19.918 1.00 0.00 C ATOM 858 CG ARG A 58 -10.105 11.560 -20.235 1.00 0.00 C ATOM 859 CD ARG A 58 -11.313 12.030 -21.030 1.00 0.00 C ATOM 860 NE ARG A 58 -12.136 12.968 -20.272 1.00 0.00 N ATOM 861 CZ ARG A 58 -13.428 13.169 -20.508 1.00 0.00 C ATOM 862 NH1 ARG A 58 -14.040 12.500 -21.476 1.00 0.00 N ATOM 863 NH2 ARG A 58 -14.110 14.039 -19.775 1.00 0.00 N ATOM 0 H ARG A 58 -7.122 11.245 -20.886 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.508 13.095 -18.604 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -9.685 13.430 -19.285 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.911 13.227 -20.844 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.570 10.797 -20.801 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.437 11.094 -19.307 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.978 12.505 -21.952 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.916 11.168 -21.317 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.695 13.498 -19.520 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.519 11.830 -22.041 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.032 12.656 -21.655 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.643 14.555 -19.029 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -15.102 14.192 -19.957 1.00 0.00 H new ATOM 877 N VAL A 59 -8.093 9.881 -18.896 1.00 0.00 N ATOM 878 CA VAL A 59 -8.337 8.656 -18.143 1.00 0.00 C ATOM 879 C VAL A 59 -7.031 8.045 -17.650 1.00 0.00 C ATOM 880 O VAL A 59 -6.790 7.957 -16.446 1.00 0.00 O ATOM 881 CB VAL A 59 -9.089 7.616 -18.994 1.00 0.00 C ATOM 882 CG1 VAL A 59 -9.310 6.336 -18.201 1.00 0.00 C ATOM 883 CG2 VAL A 59 -10.413 8.184 -19.484 1.00 0.00 C ATOM 0 H VAL A 59 -7.879 9.734 -19.882 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.953 8.928 -17.286 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.479 7.376 -19.865 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.843 5.613 -18.818 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.347 5.921 -17.905 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.899 6.557 -17.311 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.931 7.435 -20.084 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.032 8.455 -18.628 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.226 9.070 -20.091 1.00 0.00 H new ATOM 893 N HIS A 60 -6.190 7.623 -18.589 1.00 0.00 N ATOM 894 CA HIS A 60 -4.905 7.020 -18.250 1.00 0.00 C ATOM 895 C HIS A 60 -3.824 8.088 -18.111 1.00 0.00 C ATOM 896 O HIS A 60 -2.689 7.898 -18.549 1.00 0.00 O ATOM 897 CB HIS A 60 -4.499 6.001 -19.315 1.00 0.00 C ATOM 898 CG HIS A 60 -5.590 5.039 -19.670 1.00 0.00 C ATOM 899 ND1 HIS A 60 -5.896 3.932 -18.906 1.00 0.00 N ATOM 900 CD2 HIS A 60 -6.452 5.023 -20.714 1.00 0.00 C ATOM 901 CE1 HIS A 60 -6.897 3.276 -19.466 1.00 0.00 C ATOM 902 NE2 HIS A 60 -7.253 3.918 -20.564 1.00 0.00 N ATOM 0 H HIS A 60 -6.375 7.687 -19.590 1.00 0.00 H new ATOM 0 HA HIS A 60 -5.012 6.510 -17.293 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -4.187 6.532 -20.214 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.634 5.441 -18.960 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -5.423 3.662 -18.043 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.500 5.745 -21.516 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.347 2.369 -19.090 1.00 0.00 H new ATOM 910 N LYS A 61 -4.183 9.211 -17.500 1.00 0.00 N ATOM 911 CA LYS A 61 -3.245 10.309 -17.302 1.00 0.00 C ATOM 912 C LYS A 61 -2.372 10.065 -16.075 1.00 0.00 C ATOM 913 O LYS A 61 -2.870 9.711 -15.006 1.00 0.00 O ATOM 914 CB LYS A 61 -4.000 11.631 -17.149 1.00 0.00 C ATOM 915 CG LYS A 61 -3.144 12.760 -16.600 1.00 0.00 C ATOM 916 CD LYS A 61 -1.986 13.084 -17.529 1.00 0.00 C ATOM 917 CE LYS A 61 -2.470 13.719 -18.824 1.00 0.00 C ATOM 918 NZ LYS A 61 -1.463 14.657 -19.392 1.00 0.00 N ATOM 0 H LYS A 61 -5.119 9.385 -17.133 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.600 10.365 -18.179 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.398 11.927 -18.120 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.853 11.478 -16.488 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.759 13.649 -16.460 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.758 12.482 -15.619 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.294 13.761 -17.027 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.433 12.172 -17.754 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.690 12.938 -19.552 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.402 14.254 -18.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.830 15.069 -20.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.272 15.417 -18.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.582 14.141 -19.592 1.00 0.00 H new ATOM 932 N LYS A 62 -1.067 10.258 -16.236 1.00 0.00 N ATOM 933 CA LYS A 62 -0.124 10.061 -15.141 1.00 0.00 C ATOM 934 C LYS A 62 0.018 8.580 -14.804 1.00 0.00 C ATOM 935 O LYS A 62 -0.194 8.171 -13.662 1.00 0.00 O ATOM 936 CB LYS A 62 -0.580 10.836 -13.902 1.00 0.00 C ATOM 937 CG LYS A 62 0.495 10.969 -12.838 1.00 0.00 C ATOM 938 CD LYS A 62 0.248 12.172 -11.943 1.00 0.00 C ATOM 939 CE LYS A 62 -0.980 11.972 -11.068 1.00 0.00 C ATOM 940 NZ LYS A 62 -1.336 13.210 -10.320 1.00 0.00 N ATOM 0 H LYS A 62 -0.638 10.551 -17.114 1.00 0.00 H new ATOM 0 HA LYS A 62 0.848 10.437 -15.460 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.904 11.831 -14.205 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.447 10.336 -13.470 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.523 10.063 -12.232 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.471 11.063 -13.315 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.121 12.344 -11.313 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.118 13.063 -12.557 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.823 11.668 -11.689 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.795 11.162 -10.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.178 13.033 -9.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.542 13.486 -9.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.537 13.977 -10.993 1.00 0.00 H new ATOM 954 N ILE A 63 0.379 7.783 -15.803 1.00 0.00 N ATOM 955 CA ILE A 63 0.552 6.348 -15.611 1.00 0.00 C ATOM 956 C ILE A 63 2.029 5.971 -15.584 1.00 0.00 C ATOM 957 O ILE A 63 2.851 6.584 -16.266 1.00 0.00 O ATOM 958 CB ILE A 63 -0.152 5.543 -16.720 1.00 0.00 C ATOM 959 CG1 ILE A 63 -0.094 4.046 -16.408 1.00 0.00 C ATOM 960 CG2 ILE A 63 0.485 5.834 -18.071 1.00 0.00 C ATOM 961 CD1 ILE A 63 -1.162 3.241 -17.113 1.00 0.00 C ATOM 0 H ILE A 63 0.558 8.106 -16.754 1.00 0.00 H new ATOM 0 HA ILE A 63 0.099 6.101 -14.651 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.198 5.846 -16.761 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.886 3.662 -16.691 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.193 3.903 -15.332 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.023 5.258 -18.844 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.397 6.897 -18.293 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.538 5.555 -18.044 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.061 2.189 -16.846 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.146 3.599 -16.811 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.050 3.354 -18.191 1.00 0.00 H new ATOM 973 N LYS A 64 2.360 4.957 -14.792 1.00 0.00 N ATOM 974 CA LYS A 64 3.738 4.494 -14.677 1.00 0.00 C ATOM 975 C LYS A 64 4.285 4.070 -16.036 1.00 0.00 C ATOM 976 O LYS A 64 3.529 3.898 -16.992 1.00 0.00 O ATOM 977 CB LYS A 64 3.825 3.325 -13.693 1.00 0.00 C ATOM 978 CG LYS A 64 3.205 2.041 -14.218 1.00 0.00 C ATOM 979 CD LYS A 64 3.716 0.826 -13.463 1.00 0.00 C ATOM 980 CE LYS A 64 5.098 0.411 -13.944 1.00 0.00 C ATOM 981 NZ LYS A 64 5.032 -0.388 -15.199 1.00 0.00 N ATOM 0 H LYS A 64 1.692 4.440 -14.220 1.00 0.00 H new ATOM 0 HA LYS A 64 4.342 5.321 -14.304 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.872 3.141 -13.452 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.328 3.605 -12.764 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.120 2.097 -14.128 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.432 1.933 -15.279 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.752 1.048 -12.396 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.020 -0.003 -13.593 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.706 1.300 -14.111 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.593 -0.173 -13.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.812 -1.076 -15.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.124 -0.893 -15.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.114 0.246 -16.019 1.00 0.00 H new ATOM 995 N GLN A 65 5.601 3.902 -16.113 1.00 0.00 N ATOM 996 CA GLN A 65 6.247 3.497 -17.356 1.00 0.00 C ATOM 997 C GLN A 65 7.454 2.607 -17.077 1.00 0.00 C ATOM 998 O GLN A 65 8.274 2.909 -16.209 1.00 0.00 O ATOM 999 CB GLN A 65 6.680 4.727 -18.155 1.00 0.00 C ATOM 1000 CG GLN A 65 5.516 5.530 -18.713 1.00 0.00 C ATOM 1001 CD GLN A 65 4.887 4.878 -19.928 1.00 0.00 C ATOM 1002 OE1 GLN A 65 4.068 3.967 -19.804 1.00 0.00 O ATOM 1003 NE2 GLN A 65 5.266 5.343 -21.113 1.00 0.00 N ATOM 0 H GLN A 65 6.240 4.040 -15.330 1.00 0.00 H new ATOM 0 HA GLN A 65 5.526 2.927 -17.942 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.282 5.372 -17.515 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.319 4.409 -18.979 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.759 5.652 -17.938 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.863 6.528 -18.980 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.948 6.100 -21.170 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.875 4.944 -21.966 1.00 0.00 H new ATOM 1012 N HIS A 66 7.558 1.509 -17.819 1.00 0.00 N ATOM 1013 CA HIS A 66 8.665 0.575 -17.651 1.00 0.00 C ATOM 1014 C HIS A 66 9.537 0.536 -18.902 1.00 0.00 C ATOM 1015 O HIS A 66 9.107 0.070 -19.958 1.00 0.00 O ATOM 1016 CB HIS A 66 8.136 -0.826 -17.340 1.00 0.00 C ATOM 1017 CG HIS A 66 7.202 -1.358 -18.383 1.00 0.00 C ATOM 1018 ND1 HIS A 66 5.873 -0.996 -18.458 1.00 0.00 N ATOM 1019 CD2 HIS A 66 7.411 -2.229 -19.397 1.00 0.00 C ATOM 1020 CE1 HIS A 66 5.305 -1.623 -19.472 1.00 0.00 C ATOM 1021 NE2 HIS A 66 6.217 -2.377 -20.060 1.00 0.00 N ATOM 0 H HIS A 66 6.889 1.245 -18.542 1.00 0.00 H new ATOM 0 HA HIS A 66 9.274 0.919 -16.815 1.00 0.00 H new ATOM 0 HB2 HIS A 66 8.979 -1.509 -17.236 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.622 -0.806 -16.379 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.343 -2.717 -19.640 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.271 -1.535 -19.770 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.060 -2.972 -20.874 1.00 0.00 H new ATOM 1029 N CYS A 67 10.765 1.029 -18.778 1.00 0.00 N ATOM 1030 CA CYS A 67 11.698 1.052 -19.898 1.00 0.00 C ATOM 1031 C CYS A 67 11.721 -0.295 -20.615 1.00 0.00 C ATOM 1032 O CYS A 67 11.334 -1.317 -20.049 1.00 0.00 O ATOM 1033 CB CYS A 67 13.104 1.407 -19.410 1.00 0.00 C ATOM 1034 SG CYS A 67 14.181 2.113 -20.698 1.00 0.00 S ATOM 0 H CYS A 67 11.137 1.418 -17.912 1.00 0.00 H new ATOM 0 HA CYS A 67 11.362 1.813 -20.603 1.00 0.00 H new ATOM 0 HB2 CYS A 67 13.023 2.119 -18.589 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.575 0.510 -19.009 1.00 0.00 H new ATOM 1039 N ARG A 68 12.176 -0.287 -21.863 1.00 0.00 N ATOM 1040 CA ARG A 68 12.249 -1.507 -22.658 1.00 0.00 C ATOM 1041 C ARG A 68 13.690 -1.996 -22.772 1.00 0.00 C ATOM 1042 O ARG A 68 13.938 -3.179 -23.006 1.00 0.00 O ATOM 1043 CB ARG A 68 11.669 -1.267 -24.053 1.00 0.00 C ATOM 1044 CG ARG A 68 12.550 -0.402 -24.939 1.00 0.00 C ATOM 1045 CD ARG A 68 13.526 -1.244 -25.746 1.00 0.00 C ATOM 1046 NE ARG A 68 12.839 -2.177 -26.635 1.00 0.00 N ATOM 1047 CZ ARG A 68 13.381 -3.306 -27.076 1.00 0.00 C ATOM 1048 NH1 ARG A 68 14.611 -3.641 -26.713 1.00 0.00 N ATOM 1049 NH2 ARG A 68 12.692 -4.103 -27.883 1.00 0.00 N ATOM 0 H ARG A 68 12.500 0.551 -22.346 1.00 0.00 H new ATOM 0 HA ARG A 68 11.662 -2.275 -22.155 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.510 -2.228 -24.541 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.692 -0.794 -23.954 1.00 0.00 H new ATOM 0 HG2 ARG A 68 11.926 0.182 -25.615 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.103 0.307 -24.323 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.169 -0.589 -26.334 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.173 -1.800 -25.067 1.00 0.00 H new ATOM 0 HE ARG A 68 11.891 -1.949 -26.934 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.144 -3.031 -26.093 1.00 0.00 H new ATOM 0 HH12 ARG A 68 15.025 -4.509 -27.053 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.745 -3.848 -28.165 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.109 -4.970 -28.221 1.00 0.00 H new ATOM 1063 N PHE A 69 14.636 -1.078 -22.605 1.00 0.00 N ATOM 1064 CA PHE A 69 16.052 -1.416 -22.691 1.00 0.00 C ATOM 1065 C PHE A 69 16.549 -2.015 -21.379 1.00 0.00 C ATOM 1066 O PHE A 69 16.889 -3.197 -21.311 1.00 0.00 O ATOM 1067 CB PHE A 69 16.874 -0.174 -23.041 1.00 0.00 C ATOM 1068 CG PHE A 69 16.342 0.584 -24.224 1.00 0.00 C ATOM 1069 CD1 PHE A 69 16.655 0.188 -25.514 1.00 0.00 C ATOM 1070 CD2 PHE A 69 15.528 1.690 -24.046 1.00 0.00 C ATOM 1071 CE1 PHE A 69 16.168 0.884 -26.604 1.00 0.00 C ATOM 1072 CE2 PHE A 69 15.037 2.390 -25.132 1.00 0.00 C ATOM 1073 CZ PHE A 69 15.356 1.985 -26.413 1.00 0.00 C ATOM 0 H PHE A 69 14.448 -0.095 -22.409 1.00 0.00 H new ATOM 0 HA PHE A 69 16.175 -2.159 -23.479 1.00 0.00 H new ATOM 0 HB2 PHE A 69 16.901 0.490 -22.177 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.902 -0.474 -23.244 1.00 0.00 H new ATOM 0 HD1 PHE A 69 17.287 -0.674 -25.670 1.00 0.00 H new ATOM 0 HD2 PHE A 69 15.274 2.010 -23.046 1.00 0.00 H new ATOM 0 HE1 PHE A 69 16.422 0.567 -27.605 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.405 3.252 -24.979 1.00 0.00 H new ATOM 0 HZ PHE A 69 14.971 2.528 -27.264 1.00 0.00 H new ATOM 1083 N CYS A 70 16.589 -1.191 -20.337 1.00 0.00 N ATOM 1084 CA CYS A 70 17.045 -1.637 -19.026 1.00 0.00 C ATOM 1085 C CYS A 70 15.905 -2.285 -18.245 1.00 0.00 C ATOM 1086 O CYS A 70 16.129 -2.942 -17.228 1.00 0.00 O ATOM 1087 CB CYS A 70 17.615 -0.459 -18.233 1.00 0.00 C ATOM 1088 SG CYS A 70 16.368 0.765 -17.719 1.00 0.00 S ATOM 0 H CYS A 70 16.311 -0.210 -20.375 1.00 0.00 H new ATOM 0 HA CYS A 70 17.829 -2.380 -19.175 1.00 0.00 H new ATOM 0 HB2 CYS A 70 18.119 -0.842 -17.346 1.00 0.00 H new ATOM 0 HB3 CYS A 70 18.371 0.041 -18.839 1.00 0.00 H new ATOM 1093 N LYS A 71 14.682 -2.097 -18.729 1.00 0.00 N ATOM 1094 CA LYS A 71 13.506 -2.663 -18.079 1.00 0.00 C ATOM 1095 C LYS A 71 13.339 -2.102 -16.670 1.00 0.00 C ATOM 1096 O LYS A 71 13.077 -2.843 -15.723 1.00 0.00 O ATOM 1097 CB LYS A 71 13.614 -4.189 -18.023 1.00 0.00 C ATOM 1098 CG LYS A 71 13.535 -4.855 -19.385 1.00 0.00 C ATOM 1099 CD LYS A 71 12.120 -4.823 -19.940 1.00 0.00 C ATOM 1100 CE LYS A 71 11.865 -5.990 -20.881 1.00 0.00 C ATOM 1101 NZ LYS A 71 10.827 -5.664 -21.899 1.00 0.00 N ATOM 0 H LYS A 71 14.479 -1.557 -19.570 1.00 0.00 H new ATOM 0 HA LYS A 71 12.630 -2.388 -18.666 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.557 -4.461 -17.549 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.816 -4.578 -17.391 1.00 0.00 H new ATOM 0 HG2 LYS A 71 14.210 -4.351 -20.077 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.873 -5.888 -19.306 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.405 -4.854 -19.118 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.957 -3.884 -20.470 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.794 -6.262 -21.383 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.548 -6.859 -20.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.682 -6.484 -22.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.934 -5.429 -21.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.140 -4.850 -22.466 1.00 0.00 H new ATOM 1115 N LYS A 72 13.493 -0.789 -16.539 1.00 0.00 N ATOM 1116 CA LYS A 72 13.357 -0.128 -15.247 1.00 0.00 C ATOM 1117 C LYS A 72 12.038 0.633 -15.161 1.00 0.00 C ATOM 1118 O LYS A 72 11.716 1.440 -16.035 1.00 0.00 O ATOM 1119 CB LYS A 72 14.527 0.831 -15.016 1.00 0.00 C ATOM 1120 CG LYS A 72 14.684 1.262 -13.568 1.00 0.00 C ATOM 1121 CD LYS A 72 15.893 2.164 -13.382 1.00 0.00 C ATOM 1122 CE LYS A 72 17.184 1.362 -13.328 1.00 0.00 C ATOM 1123 NZ LYS A 72 18.367 2.190 -13.692 1.00 0.00 N ATOM 0 H LYS A 72 13.712 -0.161 -17.313 1.00 0.00 H new ATOM 0 HA LYS A 72 13.365 -0.895 -14.472 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.449 0.352 -15.346 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.388 1.716 -15.637 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.785 1.786 -13.244 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.785 0.381 -12.934 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.943 2.881 -14.202 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.782 2.738 -12.462 1.00 0.00 H new ATOM 0 HE2 LYS A 72 17.319 0.958 -12.325 1.00 0.00 H new ATOM 0 HE3 LYS A 72 17.112 0.512 -14.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 19.227 1.607 -13.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 18.251 2.555 -14.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 18.451 2.987 -13.029 1.00 0.00 H new ATOM 1137 N LYS A 73 11.278 0.374 -14.103 1.00 0.00 N ATOM 1138 CA LYS A 73 9.994 1.036 -13.901 1.00 0.00 C ATOM 1139 C LYS A 73 10.192 2.469 -13.417 1.00 0.00 C ATOM 1140 O LYS A 73 11.131 2.760 -12.675 1.00 0.00 O ATOM 1141 CB LYS A 73 9.149 0.257 -12.891 1.00 0.00 C ATOM 1142 CG LYS A 73 8.491 -0.981 -13.474 1.00 0.00 C ATOM 1143 CD LYS A 73 8.327 -2.071 -12.429 1.00 0.00 C ATOM 1144 CE LYS A 73 9.663 -2.699 -12.064 1.00 0.00 C ATOM 1145 NZ LYS A 73 9.640 -3.302 -10.702 1.00 0.00 N ATOM 0 H LYS A 73 11.529 -0.290 -13.371 1.00 0.00 H new ATOM 0 HA LYS A 73 9.472 1.063 -14.858 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.780 -0.038 -12.053 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.377 0.915 -12.492 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.515 -0.717 -13.882 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.092 -1.357 -14.302 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.864 -1.653 -11.535 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.653 -2.840 -12.807 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.916 -3.466 -12.796 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.445 -1.942 -12.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.569 -3.719 -10.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.424 -2.566 -10.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.911 -4.043 -10.662 1.00 0.00 H new ATOM 1159 N TYR A 74 9.301 3.359 -13.840 1.00 0.00 N ATOM 1160 CA TYR A 74 9.378 4.762 -13.450 1.00 0.00 C ATOM 1161 C TYR A 74 8.009 5.287 -13.032 1.00 0.00 C ATOM 1162 O TYR A 74 7.030 5.158 -13.768 1.00 0.00 O ATOM 1163 CB TYR A 74 9.930 5.603 -14.602 1.00 0.00 C ATOM 1164 CG TYR A 74 11.437 5.559 -14.717 1.00 0.00 C ATOM 1165 CD1 TYR A 74 12.073 4.502 -15.358 1.00 0.00 C ATOM 1166 CD2 TYR A 74 12.225 6.572 -14.185 1.00 0.00 C ATOM 1167 CE1 TYR A 74 13.450 4.457 -15.465 1.00 0.00 C ATOM 1168 CE2 TYR A 74 13.602 6.535 -14.289 1.00 0.00 C ATOM 1169 CZ TYR A 74 14.209 5.476 -14.929 1.00 0.00 C ATOM 1170 OH TYR A 74 15.581 5.435 -15.033 1.00 0.00 O ATOM 0 H TYR A 74 8.517 3.134 -14.453 1.00 0.00 H new ATOM 0 HA TYR A 74 10.052 4.840 -12.597 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.492 5.254 -15.537 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.614 6.638 -14.469 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.481 3.703 -15.779 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.753 7.403 -13.681 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.929 3.629 -15.966 1.00 0.00 H new ATOM 0 HE2 TYR A 74 14.200 7.332 -13.871 1.00 0.00 H new ATOM 0 HH TYR A 74 15.841 4.724 -15.655 1.00 0.00 H new ATOM 1180 N SER A 75 7.947 5.882 -11.845 1.00 0.00 N ATOM 1181 CA SER A 75 6.698 6.425 -11.326 1.00 0.00 C ATOM 1182 C SER A 75 6.001 7.285 -12.376 1.00 0.00 C ATOM 1183 O SER A 75 4.815 7.106 -12.653 1.00 0.00 O ATOM 1184 CB SER A 75 6.961 7.253 -10.066 1.00 0.00 C ATOM 1185 OG SER A 75 7.834 8.335 -10.340 1.00 0.00 O ATOM 0 H SER A 75 8.748 6.000 -11.225 1.00 0.00 H new ATOM 0 HA SER A 75 6.045 5.589 -11.074 1.00 0.00 H new ATOM 0 HB2 SER A 75 6.018 7.633 -9.673 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.395 6.618 -9.294 1.00 0.00 H new ATOM 0 HG SER A 75 7.985 8.849 -9.520 1.00 0.00 H new ATOM 1191 N ASP A 76 6.747 8.218 -12.957 1.00 0.00 N ATOM 1192 CA ASP A 76 6.203 9.105 -13.979 1.00 0.00 C ATOM 1193 C ASP A 76 6.996 8.991 -15.277 1.00 0.00 C ATOM 1194 O ASP A 76 8.199 8.731 -15.260 1.00 0.00 O ATOM 1195 CB ASP A 76 6.214 10.553 -13.485 1.00 0.00 C ATOM 1196 CG ASP A 76 4.970 10.903 -12.692 1.00 0.00 C ATOM 1197 OD1 ASP A 76 4.479 10.033 -11.944 1.00 0.00 O ATOM 1198 OD2 ASP A 76 4.488 12.048 -12.819 1.00 0.00 O ATOM 0 H ASP A 76 7.730 8.380 -12.738 1.00 0.00 H new ATOM 0 HA ASP A 76 5.174 8.804 -14.176 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.095 10.715 -12.864 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.298 11.225 -14.339 1.00 0.00 H new ATOM 1203 N VAL A 77 6.314 9.187 -16.401 1.00 0.00 N ATOM 1204 CA VAL A 77 6.954 9.106 -17.708 1.00 0.00 C ATOM 1205 C VAL A 77 7.993 10.208 -17.880 1.00 0.00 C ATOM 1206 O VAL A 77 9.057 9.990 -18.460 1.00 0.00 O ATOM 1207 CB VAL A 77 5.922 9.207 -18.846 1.00 0.00 C ATOM 1208 CG1 VAL A 77 5.132 10.502 -18.737 1.00 0.00 C ATOM 1209 CG2 VAL A 77 6.609 9.104 -20.199 1.00 0.00 C ATOM 0 H VAL A 77 5.318 9.403 -16.432 1.00 0.00 H new ATOM 0 HA VAL A 77 7.446 8.135 -17.759 1.00 0.00 H new ATOM 0 HB VAL A 77 5.224 8.375 -18.755 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.408 10.556 -19.550 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.608 10.529 -17.782 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.813 11.350 -18.802 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.864 9.177 -20.992 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.331 9.914 -20.303 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.125 8.147 -20.273 1.00 0.00 H new ATOM 1219 N LYS A 78 7.679 11.395 -17.370 1.00 0.00 N ATOM 1220 CA LYS A 78 8.585 12.533 -17.465 1.00 0.00 C ATOM 1221 C LYS A 78 10.028 12.101 -17.228 1.00 0.00 C ATOM 1222 O LYS A 78 10.868 12.193 -18.122 1.00 0.00 O ATOM 1223 CB LYS A 78 8.191 13.610 -16.452 1.00 0.00 C ATOM 1224 CG LYS A 78 7.179 14.608 -16.988 1.00 0.00 C ATOM 1225 CD LYS A 78 6.705 15.560 -15.902 1.00 0.00 C ATOM 1226 CE LYS A 78 7.579 16.803 -15.830 1.00 0.00 C ATOM 1227 NZ LYS A 78 8.710 16.632 -14.877 1.00 0.00 N ATOM 0 H LYS A 78 6.803 11.593 -16.886 1.00 0.00 H new ATOM 0 HA LYS A 78 8.508 12.944 -18.472 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.780 13.129 -15.565 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.086 14.146 -16.138 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.625 15.178 -17.803 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.324 14.074 -17.403 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.673 15.851 -16.097 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.716 15.050 -14.939 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.971 17.029 -16.822 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.973 17.656 -15.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.829 17.502 -14.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.509 15.836 -14.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.584 16.438 -15.407 1.00 0.00 H new ATOM 1241 N ASN A 79 10.308 11.628 -16.017 1.00 0.00 N ATOM 1242 CA ASN A 79 11.650 11.180 -15.663 1.00 0.00 C ATOM 1243 C ASN A 79 12.177 10.178 -16.686 1.00 0.00 C ATOM 1244 O ASN A 79 13.265 10.351 -17.238 1.00 0.00 O ATOM 1245 CB ASN A 79 11.649 10.550 -14.269 1.00 0.00 C ATOM 1246 CG ASN A 79 10.815 11.339 -13.279 1.00 0.00 C ATOM 1247 OD1 ASN A 79 11.068 12.520 -13.040 1.00 0.00 O ATOM 1248 ND2 ASN A 79 9.815 10.688 -12.697 1.00 0.00 N ATOM 0 H ASN A 79 9.624 11.545 -15.265 1.00 0.00 H new ATOM 0 HA ASN A 79 12.307 12.050 -15.661 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.265 9.532 -14.334 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.674 10.481 -13.903 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.220 11.167 -12.021 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.642 9.709 -12.926 1.00 0.00 H new ATOM 1255 N LEU A 80 11.399 9.131 -16.935 1.00 0.00 N ATOM 1256 CA LEU A 80 11.786 8.100 -17.892 1.00 0.00 C ATOM 1257 C LEU A 80 12.390 8.722 -19.147 1.00 0.00 C ATOM 1258 O LEU A 80 13.420 8.266 -19.643 1.00 0.00 O ATOM 1259 CB LEU A 80 10.575 7.243 -18.266 1.00 0.00 C ATOM 1260 CG LEU A 80 10.833 6.120 -19.271 1.00 0.00 C ATOM 1261 CD1 LEU A 80 11.833 5.121 -18.711 1.00 0.00 C ATOM 1262 CD2 LEU A 80 9.530 5.424 -19.639 1.00 0.00 C ATOM 0 H LEU A 80 10.496 8.973 -16.488 1.00 0.00 H new ATOM 0 HA LEU A 80 12.540 7.468 -17.423 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.171 6.802 -17.354 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.804 7.897 -18.672 1.00 0.00 H new ATOM 0 HG LEU A 80 11.256 6.558 -20.175 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.004 4.329 -19.440 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.774 5.628 -18.499 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.439 4.688 -17.791 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.733 4.628 -20.355 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.078 5.000 -18.742 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.845 6.146 -20.083 1.00 0.00 H new ATOM 1274 N ILE A 81 11.743 9.766 -19.654 1.00 0.00 N ATOM 1275 CA ILE A 81 12.219 10.453 -20.848 1.00 0.00 C ATOM 1276 C ILE A 81 13.710 10.757 -20.751 1.00 0.00 C ATOM 1277 O ILE A 81 14.506 10.282 -21.561 1.00 0.00 O ATOM 1278 CB ILE A 81 11.453 11.768 -21.085 1.00 0.00 C ATOM 1279 CG1 ILE A 81 9.954 11.492 -21.225 1.00 0.00 C ATOM 1280 CG2 ILE A 81 11.985 12.476 -22.322 1.00 0.00 C ATOM 1281 CD1 ILE A 81 9.610 10.610 -22.404 1.00 0.00 C ATOM 0 H ILE A 81 10.888 10.155 -19.256 1.00 0.00 H new ATOM 0 HA ILE A 81 12.042 9.782 -21.689 1.00 0.00 H new ATOM 0 HB ILE A 81 11.605 12.420 -20.225 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.593 11.020 -20.311 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.426 12.440 -21.325 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.433 13.403 -22.476 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.043 12.701 -22.186 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.861 11.831 -23.192 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.531 10.457 -22.441 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.940 11.089 -23.326 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.110 9.647 -22.296 1.00 0.00 H new ATOM 1293 N LYS A 82 14.083 11.550 -19.752 1.00 0.00 N ATOM 1294 CA LYS A 82 15.479 11.916 -19.545 1.00 0.00 C ATOM 1295 C LYS A 82 16.345 10.674 -19.358 1.00 0.00 C ATOM 1296 O LYS A 82 17.395 10.536 -19.986 1.00 0.00 O ATOM 1297 CB LYS A 82 15.612 12.832 -18.326 1.00 0.00 C ATOM 1298 CG LYS A 82 17.051 13.093 -17.916 1.00 0.00 C ATOM 1299 CD LYS A 82 17.134 13.667 -16.512 1.00 0.00 C ATOM 1300 CE LYS A 82 16.854 15.162 -16.504 1.00 0.00 C ATOM 1301 NZ LYS A 82 16.883 15.725 -15.126 1.00 0.00 N ATOM 0 H LYS A 82 13.437 11.952 -19.073 1.00 0.00 H new ATOM 0 HA LYS A 82 15.825 12.448 -20.431 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.126 13.784 -18.542 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.079 12.386 -17.487 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.619 12.164 -17.964 1.00 0.00 H new ATOM 0 HG3 LYS A 82 17.512 13.785 -18.621 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.418 13.158 -15.867 1.00 0.00 H new ATOM 0 HD3 LYS A 82 18.125 13.479 -16.099 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.593 15.673 -17.121 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.879 15.351 -16.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.688 16.746 -15.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.160 15.255 -14.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.821 15.568 -14.706 1.00 0.00 H new ATOM 1315 N HIS A 83 15.897 9.771 -18.490 1.00 0.00 N ATOM 1316 CA HIS A 83 16.630 8.539 -18.222 1.00 0.00 C ATOM 1317 C HIS A 83 17.144 7.919 -19.518 1.00 0.00 C ATOM 1318 O HIS A 83 18.306 7.523 -19.611 1.00 0.00 O ATOM 1319 CB HIS A 83 15.739 7.540 -17.484 1.00 0.00 C ATOM 1320 CG HIS A 83 16.127 6.111 -17.708 1.00 0.00 C ATOM 1321 ND1 HIS A 83 17.173 5.503 -17.047 1.00 0.00 N ATOM 1322 CD2 HIS A 83 15.601 5.169 -18.524 1.00 0.00 C ATOM 1323 CE1 HIS A 83 17.275 4.249 -17.449 1.00 0.00 C ATOM 1324 NE2 HIS A 83 16.332 4.020 -18.345 1.00 0.00 N ATOM 0 H HIS A 83 15.031 9.870 -17.961 1.00 0.00 H new ATOM 0 HA HIS A 83 17.486 8.785 -17.593 1.00 0.00 H new ATOM 0 HB2 HIS A 83 15.775 7.754 -16.416 1.00 0.00 H new ATOM 0 HB3 HIS A 83 14.707 7.682 -17.803 1.00 0.00 H new ATOM 0 HD1 HIS A 83 17.774 5.951 -16.356 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.762 5.297 -19.192 1.00 0.00 H new ATOM 0 HE1 HIS A 83 18.006 3.532 -17.104 1.00 0.00 H new ATOM 1332 N ILE A 84 16.270 7.838 -20.516 1.00 0.00 N ATOM 1333 CA ILE A 84 16.635 7.267 -21.806 1.00 0.00 C ATOM 1334 C ILE A 84 17.644 8.150 -22.533 1.00 0.00 C ATOM 1335 O ILE A 84 18.558 7.653 -23.192 1.00 0.00 O ATOM 1336 CB ILE A 84 15.400 7.071 -22.706 1.00 0.00 C ATOM 1337 CG1 ILE A 84 14.493 5.980 -22.133 1.00 0.00 C ATOM 1338 CG2 ILE A 84 15.827 6.722 -24.123 1.00 0.00 C ATOM 1339 CD1 ILE A 84 13.080 6.026 -22.671 1.00 0.00 C ATOM 0 H ILE A 84 15.304 8.161 -20.456 1.00 0.00 H new ATOM 0 HA ILE A 84 17.085 6.295 -21.604 1.00 0.00 H new ATOM 0 HB ILE A 84 14.839 8.005 -22.737 1.00 0.00 H new ATOM 0 HG12 ILE A 84 14.926 5.005 -22.355 1.00 0.00 H new ATOM 0 HG13 ILE A 84 14.463 6.076 -21.048 1.00 0.00 H new ATOM 0 HG21 ILE A 84 14.943 6.587 -24.746 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.437 7.529 -24.528 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.407 5.799 -24.111 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.493 5.225 -22.222 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.628 6.987 -22.426 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.099 5.899 -23.753 1.00 0.00 H new ATOM 1351 N ARG A 85 17.473 9.462 -22.406 1.00 0.00 N ATOM 1352 CA ARG A 85 18.369 10.415 -23.050 1.00 0.00 C ATOM 1353 C ARG A 85 19.752 10.382 -22.405 1.00 0.00 C ATOM 1354 O ARG A 85 20.752 10.717 -23.040 1.00 0.00 O ATOM 1355 CB ARG A 85 17.790 11.828 -22.967 1.00 0.00 C ATOM 1356 CG ARG A 85 16.329 11.912 -23.378 1.00 0.00 C ATOM 1357 CD ARG A 85 16.183 12.247 -24.854 1.00 0.00 C ATOM 1358 NE ARG A 85 16.331 13.678 -25.107 1.00 0.00 N ATOM 1359 CZ ARG A 85 16.148 14.236 -26.299 1.00 0.00 C ATOM 1360 NH1 ARG A 85 15.812 13.488 -27.340 1.00 0.00 N ATOM 1361 NH2 ARG A 85 16.300 15.546 -26.450 1.00 0.00 N ATOM 0 H ARG A 85 16.722 9.889 -21.863 1.00 0.00 H new ATOM 0 HA ARG A 85 18.468 10.131 -24.098 1.00 0.00 H new ATOM 0 HB2 ARG A 85 17.893 12.194 -21.946 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.377 12.490 -23.604 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.836 10.963 -23.169 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.825 12.671 -22.780 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.931 11.698 -25.426 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.206 11.916 -25.206 1.00 0.00 H new ATOM 0 HE ARG A 85 16.589 14.282 -24.326 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.693 12.481 -27.227 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.672 13.919 -28.254 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.557 16.125 -25.651 1.00 0.00 H new ATOM 0 HH22 ARG A 85 16.159 15.974 -27.365 1.00 0.00 H new ATOM 1375 N ASP A 86 19.800 9.976 -21.141 1.00 0.00 N ATOM 1376 CA ASP A 86 21.060 9.899 -20.410 1.00 0.00 C ATOM 1377 C ASP A 86 21.610 8.476 -20.425 1.00 0.00 C ATOM 1378 O ASP A 86 22.659 8.212 -21.011 1.00 0.00 O ATOM 1379 CB ASP A 86 20.866 10.370 -18.968 1.00 0.00 C ATOM 1380 CG ASP A 86 20.735 11.876 -18.863 1.00 0.00 C ATOM 1381 OD1 ASP A 86 21.595 12.588 -19.424 1.00 0.00 O ATOM 1382 OD2 ASP A 86 19.773 12.344 -18.220 1.00 0.00 O ATOM 0 H ASP A 86 18.981 9.695 -20.601 1.00 0.00 H new ATOM 0 HA ASP A 86 21.780 10.552 -20.903 1.00 0.00 H new ATOM 0 HB2 ASP A 86 19.974 9.901 -18.553 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.711 10.039 -18.364 1.00 0.00 H new ATOM 1387 N ALA A 87 20.895 7.564 -19.775 1.00 0.00 N ATOM 1388 CA ALA A 87 21.311 6.168 -19.714 1.00 0.00 C ATOM 1389 C ALA A 87 21.397 5.560 -21.109 1.00 0.00 C ATOM 1390 O ALA A 87 22.422 4.991 -21.488 1.00 0.00 O ATOM 1391 CB ALA A 87 20.352 5.369 -18.845 1.00 0.00 C ATOM 0 H ALA A 87 20.025 7.767 -19.283 1.00 0.00 H new ATOM 0 HA ALA A 87 22.305 6.130 -19.268 1.00 0.00 H new ATOM 0 HB1 ALA A 87 20.675 4.329 -18.809 1.00 0.00 H new ATOM 0 HB2 ALA A 87 20.345 5.782 -17.836 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.348 5.423 -19.266 1.00 0.00 H new ATOM 1397 N HIS A 88 20.314 5.682 -21.871 1.00 0.00 N ATOM 1398 CA HIS A 88 20.268 5.143 -23.226 1.00 0.00 C ATOM 1399 C HIS A 88 20.381 6.260 -24.259 1.00 0.00 C ATOM 1400 O HIS A 88 19.703 6.240 -25.286 1.00 0.00 O ATOM 1401 CB HIS A 88 18.971 4.362 -23.442 1.00 0.00 C ATOM 1402 CG HIS A 88 18.677 3.376 -22.354 1.00 0.00 C ATOM 1403 ND1 HIS A 88 19.403 2.219 -22.170 1.00 0.00 N ATOM 1404 CD2 HIS A 88 17.729 3.381 -21.387 1.00 0.00 C ATOM 1405 CE1 HIS A 88 18.914 1.553 -21.139 1.00 0.00 C ATOM 1406 NE2 HIS A 88 17.897 2.238 -20.646 1.00 0.00 N ATOM 0 H HIS A 88 19.457 6.149 -21.573 1.00 0.00 H new ATOM 0 HA HIS A 88 21.115 4.469 -23.352 1.00 0.00 H new ATOM 0 HB2 HIS A 88 18.142 5.065 -23.518 1.00 0.00 H new ATOM 0 HB3 HIS A 88 19.029 3.834 -24.394 1.00 0.00 H new ATOM 0 HD1 HIS A 88 20.195 1.923 -22.741 1.00 0.00 H new ATOM 0 HD2 HIS A 88 16.980 4.143 -21.228 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.282 0.610 -20.763 1.00 0.00 H new ATOM 1414 N ASP A 89 21.242 7.232 -23.979 1.00 0.00 N ATOM 1415 CA ASP A 89 21.445 8.358 -24.884 1.00 0.00 C ATOM 1416 C ASP A 89 21.773 7.871 -26.292 1.00 0.00 C ATOM 1417 O ASP A 89 22.756 7.165 -26.518 1.00 0.00 O ATOM 1418 CB ASP A 89 22.568 9.259 -24.368 1.00 0.00 C ATOM 1419 CG ASP A 89 23.944 8.689 -24.653 1.00 0.00 C ATOM 1420 OD1 ASP A 89 24.171 7.501 -24.340 1.00 0.00 O ATOM 1421 OD2 ASP A 89 24.793 9.431 -25.189 1.00 0.00 O ATOM 0 H ASP A 89 21.811 7.263 -23.133 1.00 0.00 H new ATOM 0 HA ASP A 89 20.519 8.932 -24.924 1.00 0.00 H new ATOM 0 HB2 ASP A 89 22.482 10.242 -24.830 1.00 0.00 H new ATOM 0 HB3 ASP A 89 22.452 9.401 -23.293 1.00 0.00 H new ATOM 1426 N PRO A 90 20.930 8.254 -27.262 1.00 0.00 N ATOM 1427 CA PRO A 90 21.109 7.867 -28.665 1.00 0.00 C ATOM 1428 C PRO A 90 22.312 8.550 -29.306 1.00 0.00 C ATOM 1429 O PRO A 90 22.521 8.452 -30.514 1.00 0.00 O ATOM 1430 CB PRO A 90 19.812 8.335 -29.330 1.00 0.00 C ATOM 1431 CG PRO A 90 19.323 9.446 -28.467 1.00 0.00 C ATOM 1432 CD PRO A 90 19.737 9.095 -27.065 1.00 0.00 C ATOM 0 HA PRO A 90 21.298 6.799 -28.772 1.00 0.00 H new ATOM 0 HB2 PRO A 90 19.991 8.675 -30.350 1.00 0.00 H new ATOM 0 HB3 PRO A 90 19.082 7.527 -29.387 1.00 0.00 H new ATOM 0 HG2 PRO A 90 19.755 10.398 -28.775 1.00 0.00 H new ATOM 0 HG3 PRO A 90 18.240 9.549 -28.540 1.00 0.00 H new ATOM 0 HD2 PRO A 90 19.965 9.985 -26.479 1.00 0.00 H new ATOM 0 HD3 PRO A 90 18.950 8.558 -26.536 1.00 0.00 H new ATOM 1440 N GLN A 91 23.100 9.241 -28.487 1.00 0.00 N ATOM 1441 CA GLN A 91 24.282 9.940 -28.976 1.00 0.00 C ATOM 1442 C GLN A 91 23.909 10.958 -30.049 1.00 0.00 C ATOM 1443 O GLN A 91 24.644 11.153 -31.017 1.00 0.00 O ATOM 1444 CB GLN A 91 25.297 8.941 -29.535 1.00 0.00 C ATOM 1445 CG GLN A 91 25.845 7.982 -28.491 1.00 0.00 C ATOM 1446 CD GLN A 91 26.889 8.625 -27.599 1.00 0.00 C ATOM 1447 OE1 GLN A 91 26.722 9.757 -27.145 1.00 0.00 O ATOM 1448 NE2 GLN A 91 27.974 7.904 -27.343 1.00 0.00 N ATOM 0 H GLN A 91 22.941 9.331 -27.484 1.00 0.00 H new ATOM 0 HA GLN A 91 24.730 10.472 -28.137 1.00 0.00 H new ATOM 0 HB2 GLN A 91 24.827 8.366 -30.333 1.00 0.00 H new ATOM 0 HB3 GLN A 91 26.126 9.490 -29.983 1.00 0.00 H new ATOM 0 HG2 GLN A 91 25.024 7.613 -27.876 1.00 0.00 H new ATOM 0 HG3 GLN A 91 26.282 7.118 -28.991 1.00 0.00 H new ATOM 0 HE21 GLN A 91 28.071 6.970 -27.740 1.00 0.00 H new ATOM 0 HE22 GLN A 91 28.711 8.284 -26.749 1.00 0.00 H new ATOM 1457 N ASP A 92 22.761 11.603 -29.871 1.00 0.00 N ATOM 1458 CA ASP A 92 22.290 12.602 -30.824 1.00 0.00 C ATOM 1459 C ASP A 92 22.576 14.012 -30.319 1.00 0.00 C ATOM 1460 O ASP A 92 22.026 14.408 -29.292 1.00 0.00 O ATOM 1461 CB ASP A 92 20.791 12.431 -31.074 1.00 0.00 C ATOM 1462 CG ASP A 92 20.128 13.720 -31.518 1.00 0.00 C ATOM 1463 OD1 ASP A 92 20.811 14.553 -32.150 1.00 0.00 O ATOM 1464 OD2 ASP A 92 18.924 13.895 -31.235 1.00 0.00 O ATOM 0 H ASP A 92 22.140 11.452 -29.076 1.00 0.00 H new ATOM 0 HA ASP A 92 22.826 12.456 -31.762 1.00 0.00 H new ATOM 0 HB2 ASP A 92 20.637 11.666 -31.835 1.00 0.00 H new ATOM 0 HB3 ASP A 92 20.312 12.075 -30.162 1.00 0.00 H new TER 1469 ASP A 92 HETATM 1470 ZN ZN A 101 -19.904 -3.310 -32.070 1.00 0.00 ZN HETATM 1471 ZN ZN A 102 -8.116 3.767 -22.245 1.00 0.00 ZN HETATM 1472 ZN ZN A 103 16.249 2.299 -19.508 1.00 0.00 ZN