USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 611 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 18 HIS HE2 : A 18 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 53 CYS SG : rot -170:sc= -0.0418 USER MOD Set 1.2: A 54 SER OG : rot 180:sc= -0.141 USER MOD Set 2.1: A 26 ASN : amide:sc= -1.4! K(o=-0.72!,f=-1.3) USER MOD Set 2.2: A 33 THR OG1 : rot -121:sc= 0.677 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc=-0.00858 (180deg=-0.216) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -1.88 X(o=-1.9,f=-1.6) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc=-0.00858 K(o=-0.0086,f=-2!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00793 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 54:sc= 1.11 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 177:sc= -0.291 (180deg=-0.309) USER MOD Single : A 69 HIS : no HD1:sc= -0.248 K(o=-0.25,f=-0.93) USER MOD Single : A 70 HIS : no HE2:sc= 0.619 K(o=0.62,f=-2.7!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 74 HIS : no HD1:sc= -0.0121 K(o=-0.012,f=-0.75) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0307 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 48.225 -22.792 0.142 1.00 0.00 N ATOM 2 CA MET A 1 48.622 -24.227 0.249 1.00 0.00 C ATOM 3 C MET A 1 50.123 -24.316 0.500 1.00 0.00 C ATOM 4 O MET A 1 50.563 -24.892 1.495 1.00 0.00 O ATOM 5 CB MET A 1 48.277 -24.959 -1.061 1.00 0.00 C ATOM 6 CG MET A 1 46.753 -25.122 -1.218 1.00 0.00 C ATOM 7 SD MET A 1 46.380 -25.753 -2.882 1.00 0.00 S ATOM 8 CE MET A 1 46.323 -27.531 -2.517 1.00 0.00 C ATOM 0 H1 MET A 1 47.193 -22.709 0.243 1.00 0.00 H new ATOM 0 H2 MET A 1 48.692 -22.246 0.894 1.00 0.00 H new ATOM 0 H3 MET A 1 48.513 -22.420 -0.786 1.00 0.00 H new ATOM 0 HA MET A 1 48.083 -24.693 1.074 1.00 0.00 H new ATOM 0 HB2 MET A 1 48.676 -24.402 -1.909 1.00 0.00 H new ATOM 0 HB3 MET A 1 48.754 -25.939 -1.071 1.00 0.00 H new ATOM 0 HG2 MET A 1 46.370 -25.808 -0.463 1.00 0.00 H new ATOM 0 HG3 MET A 1 46.256 -24.165 -1.060 1.00 0.00 H new ATOM 0 HE1 MET A 1 46.103 -28.083 -3.431 1.00 0.00 H new ATOM 0 HE2 MET A 1 47.287 -27.852 -2.122 1.00 0.00 H new ATOM 0 HE3 MET A 1 45.545 -27.726 -1.779 1.00 0.00 H new ATOM 20 N GLY A 2 50.906 -23.747 -0.412 1.00 0.00 N ATOM 21 CA GLY A 2 52.359 -23.776 -0.282 1.00 0.00 C ATOM 22 C GLY A 2 52.816 -23.034 0.967 1.00 0.00 C ATOM 23 O GLY A 2 53.736 -23.483 1.652 1.00 0.00 O ATOM 0 H GLY A 2 50.562 -23.264 -1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 2 52.702 -24.810 -0.240 1.00 0.00 H new ATOM 0 HA3 GLY A 2 52.815 -23.325 -1.163 1.00 0.00 H new ATOM 27 N ALA A 3 52.155 -21.900 1.249 1.00 0.00 N ATOM 28 CA ALA A 3 52.469 -21.063 2.418 1.00 0.00 C ATOM 29 C ALA A 3 53.977 -20.748 2.523 1.00 0.00 C ATOM 30 O ALA A 3 54.636 -21.253 3.433 1.00 0.00 O ATOM 31 CB ALA A 3 51.994 -21.754 3.707 1.00 0.00 C ATOM 0 H ALA A 3 51.392 -21.539 0.677 1.00 0.00 H new ATOM 0 HA ALA A 3 51.942 -20.118 2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 3 52.232 -21.126 4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 3 50.916 -21.911 3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 3 52.497 -22.715 3.811 1.00 0.00 H new ATOM 37 N PRO A 4 54.552 -19.937 1.637 1.00 0.00 N ATOM 38 CA PRO A 4 56.011 -19.604 1.722 1.00 0.00 C ATOM 39 C PRO A 4 56.368 -18.946 3.055 1.00 0.00 C ATOM 40 O PRO A 4 55.566 -18.186 3.604 1.00 0.00 O ATOM 41 CB PRO A 4 56.259 -18.620 0.576 1.00 0.00 C ATOM 42 CG PRO A 4 55.089 -18.734 -0.342 1.00 0.00 C ATOM 43 CD PRO A 4 53.916 -19.262 0.480 1.00 0.00 C ATOM 0 HA PRO A 4 56.622 -20.504 1.652 1.00 0.00 H new ATOM 0 HB2 PRO A 4 56.358 -17.602 0.953 1.00 0.00 H new ATOM 0 HB3 PRO A 4 57.186 -18.858 0.054 1.00 0.00 H new ATOM 0 HG2 PRO A 4 54.847 -17.765 -0.778 1.00 0.00 H new ATOM 0 HG3 PRO A 4 55.313 -19.408 -1.168 1.00 0.00 H new ATOM 0 HD2 PRO A 4 53.261 -18.453 0.803 1.00 0.00 H new ATOM 0 HD3 PRO A 4 53.305 -19.955 -0.098 1.00 0.00 H new ATOM 51 N VAL A 5 57.576 -19.264 3.559 1.00 0.00 N ATOM 52 CA VAL A 5 58.095 -18.737 4.833 1.00 0.00 C ATOM 53 C VAL A 5 59.595 -18.342 4.666 1.00 0.00 C ATOM 54 O VAL A 5 60.479 -19.040 5.173 1.00 0.00 O ATOM 55 CB VAL A 5 57.940 -19.822 5.944 1.00 0.00 C ATOM 56 CG1 VAL A 5 56.525 -19.799 6.546 1.00 0.00 C ATOM 57 CG2 VAL A 5 58.209 -21.228 5.378 1.00 0.00 C ATOM 0 H VAL A 5 58.222 -19.898 3.089 1.00 0.00 H new ATOM 0 HA VAL A 5 57.530 -17.851 5.121 1.00 0.00 H new ATOM 0 HB VAL A 5 58.669 -19.593 6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 5 56.445 -20.565 7.317 1.00 0.00 H new ATOM 0 HG12 VAL A 5 56.332 -18.820 6.985 1.00 0.00 H new ATOM 0 HG13 VAL A 5 55.793 -19.995 5.763 1.00 0.00 H new ATOM 0 HG21 VAL A 5 58.095 -21.967 6.171 1.00 0.00 H new ATOM 0 HG22 VAL A 5 57.499 -21.441 4.579 1.00 0.00 H new ATOM 0 HG23 VAL A 5 59.224 -21.273 4.983 1.00 0.00 H new ATOM 67 N PRO A 6 59.926 -17.258 3.956 1.00 0.00 N ATOM 68 CA PRO A 6 61.357 -16.842 3.771 1.00 0.00 C ATOM 69 C PRO A 6 62.086 -16.632 5.098 1.00 0.00 C ATOM 70 O PRO A 6 63.248 -17.017 5.245 1.00 0.00 O ATOM 71 CB PRO A 6 61.282 -15.513 3.013 1.00 0.00 C ATOM 72 CG PRO A 6 59.935 -15.469 2.391 1.00 0.00 C ATOM 73 CD PRO A 6 59.012 -16.326 3.251 1.00 0.00 C ATOM 0 HA PRO A 6 61.915 -17.616 3.243 1.00 0.00 H new ATOM 0 HB2 PRO A 6 61.427 -14.670 3.689 1.00 0.00 H new ATOM 0 HB3 PRO A 6 62.063 -15.452 2.255 1.00 0.00 H new ATOM 0 HG2 PRO A 6 59.569 -14.444 2.338 1.00 0.00 H new ATOM 0 HG3 PRO A 6 59.970 -15.848 1.370 1.00 0.00 H new ATOM 0 HD2 PRO A 6 58.445 -15.717 3.955 1.00 0.00 H new ATOM 0 HD3 PRO A 6 58.287 -16.865 2.641 1.00 0.00 H new ATOM 81 N TYR A 7 61.390 -16.003 6.047 1.00 0.00 N ATOM 82 CA TYR A 7 61.956 -15.711 7.367 1.00 0.00 C ATOM 83 C TYR A 7 60.818 -15.348 8.359 1.00 0.00 C ATOM 84 O TYR A 7 60.500 -14.165 8.489 1.00 0.00 O ATOM 85 CB TYR A 7 62.938 -14.521 7.244 1.00 0.00 C ATOM 86 CG TYR A 7 63.471 -14.112 8.627 1.00 0.00 C ATOM 87 CD1 TYR A 7 64.406 -14.943 9.261 1.00 0.00 C ATOM 88 CD2 TYR A 7 63.045 -12.936 9.250 1.00 0.00 C ATOM 89 CE1 TYR A 7 64.913 -14.592 10.515 1.00 0.00 C ATOM 90 CE2 TYR A 7 63.551 -12.585 10.504 1.00 0.00 C ATOM 91 CZ TYR A 7 64.485 -13.413 11.137 1.00 0.00 C ATOM 92 OH TYR A 7 64.983 -13.068 12.376 1.00 0.00 O ATOM 0 H TYR A 7 60.429 -15.684 5.926 1.00 0.00 H new ATOM 0 HA TYR A 7 62.485 -16.588 7.740 1.00 0.00 H new ATOM 0 HB2 TYR A 7 63.769 -14.795 6.595 1.00 0.00 H new ATOM 0 HB3 TYR A 7 62.435 -13.674 6.778 1.00 0.00 H new ATOM 0 HD1 TYR A 7 64.734 -15.853 8.781 1.00 0.00 H new ATOM 0 HD2 TYR A 7 62.324 -12.298 8.762 1.00 0.00 H new ATOM 0 HE1 TYR A 7 65.634 -15.230 11.004 1.00 0.00 H new ATOM 0 HE2 TYR A 7 63.222 -11.676 10.984 1.00 0.00 H new ATOM 0 HH TYR A 7 64.584 -12.221 12.665 1.00 0.00 H new ATOM 102 N PRO A 8 60.174 -16.305 9.048 1.00 0.00 N ATOM 103 CA PRO A 8 59.060 -15.988 9.996 1.00 0.00 C ATOM 104 C PRO A 8 59.595 -15.602 11.377 1.00 0.00 C ATOM 105 O PRO A 8 60.810 -15.486 11.556 1.00 0.00 O ATOM 106 CB PRO A 8 58.257 -17.294 10.018 1.00 0.00 C ATOM 107 CG PRO A 8 59.273 -18.362 9.865 1.00 0.00 C ATOM 108 CD PRO A 8 60.413 -17.772 9.026 1.00 0.00 C ATOM 0 HA PRO A 8 58.457 -15.130 9.697 1.00 0.00 H new ATOM 0 HB2 PRO A 8 57.704 -17.404 10.951 1.00 0.00 H new ATOM 0 HB3 PRO A 8 57.526 -17.324 9.210 1.00 0.00 H new ATOM 0 HG2 PRO A 8 59.639 -18.690 10.838 1.00 0.00 H new ATOM 0 HG3 PRO A 8 58.844 -19.236 9.375 1.00 0.00 H new ATOM 0 HD2 PRO A 8 61.386 -18.021 9.448 1.00 0.00 H new ATOM 0 HD3 PRO A 8 60.398 -18.161 8.008 1.00 0.00 H new ATOM 116 N ASP A 9 58.680 -15.391 12.330 1.00 0.00 N ATOM 117 CA ASP A 9 59.029 -15.001 13.705 1.00 0.00 C ATOM 118 C ASP A 9 57.964 -15.526 14.694 1.00 0.00 C ATOM 119 O ASP A 9 57.162 -14.736 15.193 1.00 0.00 O ATOM 120 CB ASP A 9 59.108 -13.466 13.799 1.00 0.00 C ATOM 121 CG ASP A 9 60.327 -12.957 13.037 1.00 0.00 C ATOM 122 OD1 ASP A 9 61.420 -13.067 13.569 1.00 0.00 O ATOM 123 OD2 ASP A 9 60.153 -12.482 11.924 1.00 0.00 O ATOM 0 H ASP A 9 57.677 -15.485 12.172 1.00 0.00 H new ATOM 0 HA ASP A 9 59.996 -15.434 13.963 1.00 0.00 H new ATOM 0 HB2 ASP A 9 58.201 -13.022 13.389 1.00 0.00 H new ATOM 0 HB3 ASP A 9 59.168 -13.160 14.844 1.00 0.00 H new ATOM 128 N PRO A 10 57.916 -16.827 14.995 1.00 0.00 N ATOM 129 CA PRO A 10 56.906 -17.386 15.958 1.00 0.00 C ATOM 130 C PRO A 10 56.991 -16.712 17.324 1.00 0.00 C ATOM 131 O PRO A 10 56.006 -16.627 18.057 1.00 0.00 O ATOM 132 CB PRO A 10 57.279 -18.863 16.097 1.00 0.00 C ATOM 133 CG PRO A 10 58.117 -19.194 14.915 1.00 0.00 C ATOM 134 CD PRO A 10 58.785 -17.902 14.458 1.00 0.00 C ATOM 0 HA PRO A 10 55.890 -17.227 15.596 1.00 0.00 H new ATOM 0 HB2 PRO A 10 57.826 -19.041 17.023 1.00 0.00 H new ATOM 0 HB3 PRO A 10 56.387 -19.488 16.129 1.00 0.00 H new ATOM 0 HG2 PRO A 10 58.865 -19.944 15.172 1.00 0.00 H new ATOM 0 HG3 PRO A 10 57.506 -19.614 14.116 1.00 0.00 H new ATOM 0 HD2 PRO A 10 59.801 -17.822 14.845 1.00 0.00 H new ATOM 0 HD3 PRO A 10 58.853 -17.853 13.371 1.00 0.00 H new ATOM 142 N LEU A 11 58.189 -16.256 17.654 1.00 0.00 N ATOM 143 CA LEU A 11 58.430 -15.598 18.938 1.00 0.00 C ATOM 144 C LEU A 11 57.585 -14.333 19.055 1.00 0.00 C ATOM 145 O LEU A 11 57.081 -14.022 20.135 1.00 0.00 O ATOM 146 CB LEU A 11 59.917 -15.210 19.073 1.00 0.00 C ATOM 147 CG LEU A 11 60.842 -16.465 19.193 1.00 0.00 C ATOM 148 CD1 LEU A 11 62.312 -16.053 19.019 1.00 0.00 C ATOM 149 CD2 LEU A 11 60.705 -17.207 20.550 1.00 0.00 C ATOM 0 H LEU A 11 59.011 -16.327 17.055 1.00 0.00 H new ATOM 0 HA LEU A 11 58.158 -16.297 19.729 1.00 0.00 H new ATOM 0 HB2 LEU A 11 60.218 -14.620 18.207 1.00 0.00 H new ATOM 0 HB3 LEU A 11 60.048 -14.578 19.951 1.00 0.00 H new ATOM 0 HG LEU A 11 60.523 -17.148 18.405 1.00 0.00 H new ATOM 0 HD11 LEU A 11 62.949 -16.933 19.104 1.00 0.00 H new ATOM 0 HD12 LEU A 11 62.449 -15.599 18.037 1.00 0.00 H new ATOM 0 HD13 LEU A 11 62.582 -15.334 19.792 1.00 0.00 H new ATOM 0 HD21 LEU A 11 61.375 -18.067 20.564 1.00 0.00 H new ATOM 0 HD22 LEU A 11 60.967 -16.530 21.363 1.00 0.00 H new ATOM 0 HD23 LEU A 11 59.677 -17.546 20.677 1.00 0.00 H new ATOM 161 N GLU A 12 57.459 -13.612 17.935 1.00 0.00 N ATOM 162 CA GLU A 12 56.697 -12.356 17.862 1.00 0.00 C ATOM 163 C GLU A 12 57.130 -11.373 18.975 1.00 0.00 C ATOM 164 O GLU A 12 56.362 -11.143 19.910 1.00 0.00 O ATOM 165 CB GLU A 12 55.176 -12.622 17.976 1.00 0.00 C ATOM 166 CG GLU A 12 54.659 -13.495 16.817 1.00 0.00 C ATOM 167 CD GLU A 12 53.157 -13.701 16.962 1.00 0.00 C ATOM 168 OE1 GLU A 12 52.767 -14.658 17.611 1.00 0.00 O ATOM 169 OE2 GLU A 12 52.414 -12.901 16.414 1.00 0.00 O ATOM 0 H GLU A 12 57.884 -13.883 17.048 1.00 0.00 H new ATOM 0 HA GLU A 12 56.909 -11.907 16.892 1.00 0.00 H new ATOM 0 HB2 GLU A 12 54.963 -13.115 18.925 1.00 0.00 H new ATOM 0 HB3 GLU A 12 54.641 -11.673 17.983 1.00 0.00 H new ATOM 0 HG2 GLU A 12 54.880 -13.018 15.862 1.00 0.00 H new ATOM 0 HG3 GLU A 12 55.170 -14.458 16.818 1.00 0.00 H new ATOM 176 N PRO A 13 58.327 -10.782 18.917 1.00 0.00 N ATOM 177 CA PRO A 13 58.774 -9.820 19.974 1.00 0.00 C ATOM 178 C PRO A 13 57.823 -8.633 20.113 1.00 0.00 C ATOM 179 O PRO A 13 57.272 -8.147 19.125 1.00 0.00 O ATOM 180 CB PRO A 13 60.149 -9.331 19.505 1.00 0.00 C ATOM 181 CG PRO A 13 60.616 -10.307 18.482 1.00 0.00 C ATOM 182 CD PRO A 13 59.372 -10.958 17.879 1.00 0.00 C ATOM 0 HA PRO A 13 58.800 -10.302 20.951 1.00 0.00 H new ATOM 0 HB2 PRO A 13 60.081 -8.328 19.083 1.00 0.00 H new ATOM 0 HB3 PRO A 13 60.848 -9.279 20.340 1.00 0.00 H new ATOM 0 HG2 PRO A 13 61.201 -9.806 17.710 1.00 0.00 H new ATOM 0 HG3 PRO A 13 61.263 -11.059 18.934 1.00 0.00 H new ATOM 0 HD2 PRO A 13 59.087 -10.479 16.942 1.00 0.00 H new ATOM 0 HD3 PRO A 13 59.541 -12.012 17.660 1.00 0.00 H new ATOM 190 N ARG A 14 57.634 -8.178 21.346 1.00 0.00 N ATOM 191 CA ARG A 14 56.744 -7.053 21.607 1.00 0.00 C ATOM 192 C ARG A 14 57.294 -5.785 20.960 1.00 0.00 C ATOM 193 O ARG A 14 56.541 -4.981 20.411 1.00 0.00 O ATOM 194 CB ARG A 14 56.610 -6.828 23.123 1.00 0.00 C ATOM 195 CG ARG A 14 55.806 -7.980 23.785 1.00 0.00 C ATOM 196 CD ARG A 14 55.780 -7.825 25.318 1.00 0.00 C ATOM 197 NE ARG A 14 54.985 -8.895 25.912 1.00 0.00 N ATOM 198 CZ ARG A 14 54.829 -8.984 27.228 1.00 0.00 C ATOM 199 NH1 ARG A 14 55.379 -8.095 28.010 1.00 0.00 N ATOM 200 NH2 ARG A 14 54.137 -9.961 27.737 1.00 0.00 N ATOM 0 H ARG A 14 58.082 -8.567 22.176 1.00 0.00 H new ATOM 0 HA ARG A 14 55.766 -7.281 21.184 1.00 0.00 H new ATOM 0 HB2 ARG A 14 57.600 -6.764 23.574 1.00 0.00 H new ATOM 0 HB3 ARG A 14 56.112 -5.877 23.311 1.00 0.00 H new ATOM 0 HG2 ARG A 14 54.787 -7.985 23.399 1.00 0.00 H new ATOM 0 HG3 ARG A 14 56.252 -8.939 23.520 1.00 0.00 H new ATOM 0 HD2 ARG A 14 56.796 -7.853 25.712 1.00 0.00 H new ATOM 0 HD3 ARG A 14 55.360 -6.856 25.587 1.00 0.00 H new ATOM 0 HE ARG A 14 54.542 -9.586 25.307 1.00 0.00 H new ATOM 0 HH11 ARG A 14 55.927 -7.334 27.610 1.00 0.00 H new ATOM 0 HH12 ARG A 14 55.260 -8.162 29.021 1.00 0.00 H new ATOM 0 HH21 ARG A 14 53.714 -10.659 27.125 1.00 0.00 H new ATOM 0 HH22 ARG A 14 54.018 -10.029 28.748 1.00 0.00 H new ATOM 214 N GLY A 15 58.609 -5.613 21.026 1.00 0.00 N ATOM 215 CA GLY A 15 59.244 -4.437 20.442 1.00 0.00 C ATOM 216 C GLY A 15 60.754 -4.466 20.653 1.00 0.00 C ATOM 217 O GLY A 15 61.296 -5.422 21.205 1.00 0.00 O ATOM 0 H GLY A 15 59.252 -6.266 21.474 1.00 0.00 H new ATOM 0 HA2 GLY A 15 59.024 -4.393 19.375 1.00 0.00 H new ATOM 0 HA3 GLY A 15 58.828 -3.535 20.891 1.00 0.00 H new ATOM 221 N GLY A 16 61.425 -3.406 20.207 1.00 0.00 N ATOM 222 CA GLY A 16 62.876 -3.308 20.347 1.00 0.00 C ATOM 223 C GLY A 16 63.357 -1.909 20.020 1.00 0.00 C ATOM 224 O GLY A 16 62.629 -1.120 19.416 1.00 0.00 O ATOM 0 H GLY A 16 60.989 -2.606 19.748 1.00 0.00 H new ATOM 0 HA2 GLY A 16 63.166 -3.568 21.365 1.00 0.00 H new ATOM 0 HA3 GLY A 16 63.359 -4.027 19.685 1.00 0.00 H new ATOM 228 N LYS A 17 64.589 -1.607 20.411 1.00 0.00 N ATOM 229 CA LYS A 17 65.145 -0.306 20.138 1.00 0.00 C ATOM 230 C LYS A 17 65.291 -0.162 18.638 1.00 0.00 C ATOM 231 O LYS A 17 64.870 0.829 18.076 1.00 0.00 O ATOM 232 CB LYS A 17 66.512 -0.177 20.824 1.00 0.00 C ATOM 233 CG LYS A 17 66.346 -0.217 22.364 1.00 0.00 C ATOM 234 CD LYS A 17 67.723 -0.193 23.064 1.00 0.00 C ATOM 235 CE LYS A 17 67.559 -0.257 24.593 1.00 0.00 C ATOM 236 NZ LYS A 17 68.904 -0.237 25.232 1.00 0.00 N ATOM 0 H LYS A 17 65.209 -2.243 20.912 1.00 0.00 H new ATOM 0 HA LYS A 17 64.493 0.479 20.522 1.00 0.00 H new ATOM 0 HB2 LYS A 17 67.167 -0.986 20.501 1.00 0.00 H new ATOM 0 HB3 LYS A 17 66.989 0.757 20.527 1.00 0.00 H new ATOM 0 HG2 LYS A 17 65.751 0.635 22.693 1.00 0.00 H new ATOM 0 HG3 LYS A 17 65.802 -1.116 22.653 1.00 0.00 H new ATOM 0 HD2 LYS A 17 68.324 -1.035 22.723 1.00 0.00 H new ATOM 0 HD3 LYS A 17 68.260 0.715 22.789 1.00 0.00 H new ATOM 0 HE2 LYS A 17 66.965 0.587 24.942 1.00 0.00 H new ATOM 0 HE3 LYS A 17 67.023 -1.163 24.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 68.798 -0.280 26.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 69.455 -1.056 24.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 69.399 0.639 24.971 1.00 0.00 H new ATOM 250 N HIS A 18 65.917 -1.158 18.010 1.00 0.00 N ATOM 251 CA HIS A 18 66.158 -1.147 16.554 1.00 0.00 C ATOM 252 C HIS A 18 64.924 -0.791 15.723 1.00 0.00 C ATOM 253 O HIS A 18 65.080 -0.292 14.605 1.00 0.00 O ATOM 254 CB HIS A 18 66.667 -2.525 16.083 1.00 0.00 C ATOM 255 CG HIS A 18 67.851 -2.417 15.135 1.00 0.00 C ATOM 256 ND1 HIS A 18 68.851 -3.366 15.138 1.00 0.00 N ATOM 257 CD2 HIS A 18 68.209 -1.488 14.199 1.00 0.00 C ATOM 258 CE1 HIS A 18 69.763 -2.983 14.227 1.00 0.00 C ATOM 259 NE2 HIS A 18 69.418 -1.831 13.616 1.00 0.00 N ATOM 0 H HIS A 18 66.270 -1.989 18.484 1.00 0.00 H new ATOM 0 HA HIS A 18 66.904 -0.369 16.393 1.00 0.00 H new ATOM 0 HB2 HIS A 18 66.954 -3.119 16.951 1.00 0.00 H new ATOM 0 HB3 HIS A 18 65.856 -3.058 15.587 1.00 0.00 H new ATOM 0 HD1 HIS A 18 68.891 -4.202 15.722 1.00 0.00 H new ATOM 0 HD2 HIS A 18 67.631 -0.610 13.949 1.00 0.00 H new ATOM 0 HE1 HIS A 18 70.666 -3.534 14.010 1.00 0.00 H new ATOM 266 N ILE A 19 63.729 -1.037 16.277 1.00 0.00 N ATOM 267 CA ILE A 19 62.464 -0.737 15.593 1.00 0.00 C ATOM 268 C ILE A 19 61.817 0.474 16.248 1.00 0.00 C ATOM 269 O ILE A 19 61.355 0.398 17.388 1.00 0.00 O ATOM 270 CB ILE A 19 61.497 -1.954 15.666 1.00 0.00 C ATOM 271 CG1 ILE A 19 62.054 -3.129 14.817 1.00 0.00 C ATOM 272 CG2 ILE A 19 60.082 -1.575 15.132 1.00 0.00 C ATOM 273 CD1 ILE A 19 61.570 -4.485 15.364 1.00 0.00 C ATOM 0 H ILE A 19 63.612 -1.446 17.204 1.00 0.00 H new ATOM 0 HA ILE A 19 62.670 -0.525 14.544 1.00 0.00 H new ATOM 0 HB ILE A 19 61.416 -2.254 16.711 1.00 0.00 H new ATOM 0 HG12 ILE A 19 61.735 -3.016 13.781 1.00 0.00 H new ATOM 0 HG13 ILE A 19 63.144 -3.100 14.820 1.00 0.00 H new ATOM 0 HG21 ILE A 19 59.425 -2.443 15.194 1.00 0.00 H new ATOM 0 HG22 ILE A 19 59.671 -0.765 15.734 1.00 0.00 H new ATOM 0 HG23 ILE A 19 60.159 -1.252 14.094 1.00 0.00 H new ATOM 0 HD11 ILE A 19 61.975 -5.290 14.751 1.00 0.00 H new ATOM 0 HD12 ILE A 19 61.911 -4.605 16.392 1.00 0.00 H new ATOM 0 HD13 ILE A 19 60.481 -4.521 15.337 1.00 0.00 H new ATOM 285 N CYS A 20 61.755 1.575 15.506 1.00 0.00 N ATOM 286 CA CYS A 20 61.123 2.786 16.013 1.00 0.00 C ATOM 287 C CYS A 20 59.605 2.565 16.036 1.00 0.00 C ATOM 288 O CYS A 20 59.089 1.772 15.258 1.00 0.00 O ATOM 289 CB CYS A 20 61.502 3.973 15.117 1.00 0.00 C ATOM 290 SG CYS A 20 60.570 5.440 15.604 1.00 0.00 S ATOM 0 H CYS A 20 62.131 1.653 14.561 1.00 0.00 H new ATOM 0 HA CYS A 20 61.464 3.009 17.024 1.00 0.00 H new ATOM 0 HB2 CYS A 20 62.571 4.170 15.194 1.00 0.00 H new ATOM 0 HB3 CYS A 20 61.297 3.732 14.074 1.00 0.00 H new ATOM 295 N ALA A 21 58.898 3.240 16.941 1.00 0.00 N ATOM 296 CA ALA A 21 57.444 3.076 17.057 1.00 0.00 C ATOM 297 C ALA A 21 56.711 3.844 15.960 1.00 0.00 C ATOM 298 O ALA A 21 55.513 3.630 15.754 1.00 0.00 O ATOM 299 CB ALA A 21 56.984 3.600 18.415 1.00 0.00 C ATOM 0 H ALA A 21 59.303 3.903 17.603 1.00 0.00 H new ATOM 0 HA ALA A 21 57.213 2.016 16.955 1.00 0.00 H new ATOM 0 HB1 ALA A 21 55.904 3.480 18.505 1.00 0.00 H new ATOM 0 HB2 ALA A 21 57.479 3.039 19.208 1.00 0.00 H new ATOM 0 HB3 ALA A 21 57.240 4.656 18.503 1.00 0.00 H new ATOM 305 N ILE A 22 57.452 4.744 15.301 1.00 0.00 N ATOM 306 CA ILE A 22 56.927 5.612 14.227 1.00 0.00 C ATOM 307 C ILE A 22 57.597 5.265 12.889 1.00 0.00 C ATOM 308 O ILE A 22 56.987 4.632 12.026 1.00 0.00 O ATOM 309 CB ILE A 22 57.193 7.105 14.607 1.00 0.00 C ATOM 310 CG1 ILE A 22 56.308 7.515 15.817 1.00 0.00 C ATOM 311 CG2 ILE A 22 56.874 8.068 13.428 1.00 0.00 C ATOM 312 CD1 ILE A 22 56.984 8.622 16.649 1.00 0.00 C ATOM 0 H ILE A 22 58.442 4.895 15.496 1.00 0.00 H new ATOM 0 HA ILE A 22 55.854 5.454 14.117 1.00 0.00 H new ATOM 0 HB ILE A 22 58.251 7.186 14.856 1.00 0.00 H new ATOM 0 HG12 ILE A 22 55.339 7.864 15.461 1.00 0.00 H new ATOM 0 HG13 ILE A 22 56.122 6.645 16.447 1.00 0.00 H new ATOM 0 HG21 ILE A 22 57.072 9.095 13.734 1.00 0.00 H new ATOM 0 HG22 ILE A 22 57.501 7.816 12.573 1.00 0.00 H new ATOM 0 HG23 ILE A 22 55.825 7.968 13.150 1.00 0.00 H new ATOM 0 HD11 ILE A 22 56.342 8.889 17.489 1.00 0.00 H new ATOM 0 HD12 ILE A 22 57.942 8.262 17.024 1.00 0.00 H new ATOM 0 HD13 ILE A 22 57.147 9.500 16.023 1.00 0.00 H new ATOM 324 N CYS A 23 58.831 5.740 12.703 1.00 0.00 N ATOM 325 CA CYS A 23 59.571 5.548 11.456 1.00 0.00 C ATOM 326 C CYS A 23 59.857 4.084 11.172 1.00 0.00 C ATOM 327 O CYS A 23 60.297 3.739 10.072 1.00 0.00 O ATOM 328 CB CYS A 23 60.894 6.303 11.529 1.00 0.00 C ATOM 329 SG CYS A 23 60.713 7.792 12.549 1.00 0.00 S ATOM 0 H CYS A 23 59.343 6.267 13.411 1.00 0.00 H new ATOM 0 HA CYS A 23 58.948 5.931 10.648 1.00 0.00 H new ATOM 0 HB2 CYS A 23 61.666 5.658 11.949 1.00 0.00 H new ATOM 0 HB3 CYS A 23 61.219 6.578 10.526 1.00 0.00 H new ATOM 334 N GLY A 24 59.599 3.237 12.155 1.00 0.00 N ATOM 335 CA GLY A 24 59.811 1.812 12.008 1.00 0.00 C ATOM 336 C GLY A 24 61.277 1.414 12.147 1.00 0.00 C ATOM 337 O GLY A 24 61.540 0.239 12.357 1.00 0.00 O ATOM 0 H GLY A 24 59.240 3.517 13.068 1.00 0.00 H new ATOM 0 HA2 GLY A 24 59.223 1.283 12.758 1.00 0.00 H new ATOM 0 HA3 GLY A 24 59.444 1.494 11.032 1.00 0.00 H new ATOM 341 N ASN A 25 62.233 2.367 11.999 1.00 0.00 N ATOM 342 CA ASN A 25 63.675 1.996 12.097 1.00 0.00 C ATOM 343 C ASN A 25 64.675 3.188 12.259 1.00 0.00 C ATOM 344 O ASN A 25 65.880 2.990 12.066 1.00 0.00 O ATOM 345 CB ASN A 25 64.043 1.138 10.850 1.00 0.00 C ATOM 346 CG ASN A 25 64.157 -0.334 11.245 1.00 0.00 C ATOM 347 OD1 ASN A 25 65.088 -0.722 11.953 1.00 0.00 O ATOM 348 ND2 ASN A 25 63.248 -1.175 10.840 1.00 0.00 N ATOM 0 H ASN A 25 62.049 3.354 11.820 1.00 0.00 H new ATOM 0 HA ASN A 25 63.786 1.436 13.026 1.00 0.00 H new ATOM 0 HB2 ASN A 25 63.283 1.258 10.078 1.00 0.00 H new ATOM 0 HB3 ASN A 25 64.986 1.483 10.426 1.00 0.00 H new ATOM 0 HD21 ASN A 25 63.306 -2.157 11.109 1.00 0.00 H new ATOM 0 HD22 ASN A 25 62.478 -0.851 10.254 1.00 0.00 H new ATOM 355 N ASN A 26 64.214 4.383 12.681 1.00 0.00 N ATOM 356 CA ASN A 26 65.150 5.537 12.895 1.00 0.00 C ATOM 357 C ASN A 26 65.622 5.632 14.351 1.00 0.00 C ATOM 358 O ASN A 26 66.353 6.554 14.719 1.00 0.00 O ATOM 359 CB ASN A 26 64.513 6.856 12.457 1.00 0.00 C ATOM 360 CG ASN A 26 64.351 6.856 10.937 1.00 0.00 C ATOM 361 OD1 ASN A 26 64.769 7.803 10.274 1.00 0.00 O ATOM 362 ND2 ASN A 26 63.776 5.844 10.344 1.00 0.00 N ATOM 0 H ASN A 26 63.234 4.585 12.879 1.00 0.00 H new ATOM 0 HA ASN A 26 66.025 5.351 12.273 1.00 0.00 H new ATOM 0 HB2 ASN A 26 63.543 6.983 12.938 1.00 0.00 H new ATOM 0 HB3 ASN A 26 65.135 7.695 12.768 1.00 0.00 H new ATOM 0 HD21 ASN A 26 63.673 5.839 9.329 1.00 0.00 H new ATOM 0 HD22 ASN A 26 63.430 5.059 10.896 1.00 0.00 H new ATOM 369 N ALA A 27 65.201 4.669 15.162 1.00 0.00 N ATOM 370 CA ALA A 27 65.569 4.627 16.575 1.00 0.00 C ATOM 371 C ALA A 27 67.008 4.121 16.716 1.00 0.00 C ATOM 372 O ALA A 27 67.274 3.068 17.296 1.00 0.00 O ATOM 373 CB ALA A 27 64.569 3.736 17.328 1.00 0.00 C ATOM 0 H ALA A 27 64.600 3.901 14.864 1.00 0.00 H new ATOM 0 HA ALA A 27 65.528 5.625 17.011 1.00 0.00 H new ATOM 0 HB1 ALA A 27 64.837 3.700 18.384 1.00 0.00 H new ATOM 0 HB2 ALA A 27 63.565 4.147 17.223 1.00 0.00 H new ATOM 0 HB3 ALA A 27 64.595 2.729 16.912 1.00 0.00 H new ATOM 379 N GLU A 28 67.942 4.916 16.190 1.00 0.00 N ATOM 380 CA GLU A 28 69.378 4.605 16.262 1.00 0.00 C ATOM 381 C GLU A 28 70.219 5.752 15.689 1.00 0.00 C ATOM 382 O GLU A 28 71.430 5.797 15.927 1.00 0.00 O ATOM 383 CB GLU A 28 69.751 3.304 15.519 1.00 0.00 C ATOM 384 CG GLU A 28 69.029 3.162 14.167 1.00 0.00 C ATOM 385 CD GLU A 28 69.699 2.061 13.352 1.00 0.00 C ATOM 386 OE1 GLU A 28 69.709 0.932 13.817 1.00 0.00 O ATOM 387 OE2 GLU A 28 70.166 2.351 12.264 1.00 0.00 O ATOM 0 H GLU A 28 67.731 5.788 15.705 1.00 0.00 H new ATOM 0 HA GLU A 28 69.596 4.468 17.321 1.00 0.00 H new ATOM 0 HB2 GLU A 28 70.828 3.281 15.355 1.00 0.00 H new ATOM 0 HB3 GLU A 28 69.506 2.448 16.148 1.00 0.00 H new ATOM 0 HG2 GLU A 28 67.977 2.924 14.326 1.00 0.00 H new ATOM 0 HG3 GLU A 28 69.063 4.106 13.622 1.00 0.00 H new ATOM 394 N ASP A 29 69.564 6.646 14.919 1.00 0.00 N ATOM 395 CA ASP A 29 70.232 7.792 14.267 1.00 0.00 C ATOM 396 C ASP A 29 69.440 9.093 14.495 1.00 0.00 C ATOM 397 O ASP A 29 68.876 9.299 15.570 1.00 0.00 O ATOM 398 CB ASP A 29 70.375 7.503 12.765 1.00 0.00 C ATOM 399 CG ASP A 29 70.911 6.093 12.553 1.00 0.00 C ATOM 400 OD1 ASP A 29 71.857 5.725 13.232 1.00 0.00 O ATOM 401 OD2 ASP A 29 70.365 5.402 11.710 1.00 0.00 O ATOM 0 H ASP A 29 68.563 6.595 14.732 1.00 0.00 H new ATOM 0 HA ASP A 29 71.220 7.926 14.707 1.00 0.00 H new ATOM 0 HB2 ASP A 29 69.409 7.611 12.272 1.00 0.00 H new ATOM 0 HB3 ASP A 29 71.048 8.229 12.309 1.00 0.00 H new ATOM 406 N TYR A 30 69.417 9.975 13.489 1.00 0.00 N ATOM 407 CA TYR A 30 68.716 11.249 13.602 1.00 0.00 C ATOM 408 C TYR A 30 67.218 11.018 13.742 1.00 0.00 C ATOM 409 O TYR A 30 66.656 10.163 13.054 1.00 0.00 O ATOM 410 CB TYR A 30 68.983 12.098 12.355 1.00 0.00 C ATOM 411 CG TYR A 30 70.485 12.389 12.240 1.00 0.00 C ATOM 412 CD1 TYR A 30 71.318 11.474 11.583 1.00 0.00 C ATOM 413 CD2 TYR A 30 71.023 13.556 12.791 1.00 0.00 C ATOM 414 CE1 TYR A 30 72.691 11.733 11.476 1.00 0.00 C ATOM 415 CE2 TYR A 30 72.393 13.815 12.683 1.00 0.00 C ATOM 416 CZ TYR A 30 73.230 12.901 12.028 1.00 0.00 C ATOM 417 OH TYR A 30 74.582 13.157 11.921 1.00 0.00 O ATOM 0 H TYR A 30 69.877 9.826 12.591 1.00 0.00 H new ATOM 0 HA TYR A 30 69.080 11.771 14.487 1.00 0.00 H new ATOM 0 HB2 TYR A 30 68.635 11.574 11.465 1.00 0.00 H new ATOM 0 HB3 TYR A 30 68.425 13.033 12.413 1.00 0.00 H new ATOM 0 HD1 TYR A 30 70.903 10.571 11.160 1.00 0.00 H new ATOM 0 HD2 TYR A 30 70.380 14.258 13.301 1.00 0.00 H new ATOM 0 HE1 TYR A 30 73.334 11.030 10.967 1.00 0.00 H new ATOM 0 HE2 TYR A 30 72.806 14.719 13.104 1.00 0.00 H new ATOM 0 HH TYR A 30 74.789 14.010 12.357 1.00 0.00 H new ATOM 427 N LYS A 31 66.599 11.794 14.644 1.00 0.00 N ATOM 428 CA LYS A 31 65.164 11.709 14.922 1.00 0.00 C ATOM 429 C LYS A 31 64.414 12.781 14.125 1.00 0.00 C ATOM 430 O LYS A 31 63.543 13.475 14.654 1.00 0.00 O ATOM 431 CB LYS A 31 64.916 11.900 16.444 1.00 0.00 C ATOM 432 CG LYS A 31 65.573 10.755 17.268 1.00 0.00 C ATOM 433 CD LYS A 31 65.337 10.967 18.790 1.00 0.00 C ATOM 434 CE LYS A 31 65.976 9.831 19.614 1.00 0.00 C ATOM 435 NZ LYS A 31 65.730 10.081 21.063 1.00 0.00 N ATOM 0 H LYS A 31 67.083 12.498 15.200 1.00 0.00 H new ATOM 0 HA LYS A 31 64.795 10.728 14.622 1.00 0.00 H new ATOM 0 HB2 LYS A 31 65.321 12.860 16.764 1.00 0.00 H new ATOM 0 HB3 LYS A 31 63.844 11.924 16.640 1.00 0.00 H new ATOM 0 HG2 LYS A 31 65.158 9.795 16.961 1.00 0.00 H new ATOM 0 HG3 LYS A 31 66.643 10.720 17.062 1.00 0.00 H new ATOM 0 HD2 LYS A 31 65.758 11.924 19.097 1.00 0.00 H new ATOM 0 HD3 LYS A 31 64.267 11.010 18.993 1.00 0.00 H new ATOM 0 HE2 LYS A 31 65.553 8.870 19.321 1.00 0.00 H new ATOM 0 HE3 LYS A 31 67.047 9.781 19.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 66.159 9.318 21.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 66.154 10.991 21.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 64.706 10.109 21.242 1.00 0.00 H new ATOM 449 N HIS A 32 64.770 12.908 12.845 1.00 0.00 N ATOM 450 CA HIS A 32 64.134 13.890 11.962 1.00 0.00 C ATOM 451 C HIS A 32 62.824 13.357 11.394 1.00 0.00 C ATOM 452 O HIS A 32 61.885 14.122 11.171 1.00 0.00 O ATOM 453 CB HIS A 32 65.068 14.243 10.809 1.00 0.00 C ATOM 454 CG HIS A 32 65.910 15.434 11.183 1.00 0.00 C ATOM 455 ND1 HIS A 32 67.084 15.310 11.903 1.00 0.00 N ATOM 456 CD2 HIS A 32 65.763 16.777 10.930 1.00 0.00 C ATOM 457 CE1 HIS A 32 67.600 16.543 12.059 1.00 0.00 C ATOM 458 NE2 HIS A 32 66.836 17.476 11.486 1.00 0.00 N ATOM 0 H HIS A 32 65.493 12.345 12.397 1.00 0.00 H new ATOM 0 HA HIS A 32 63.923 14.779 12.556 1.00 0.00 H new ATOM 0 HB2 HIS A 32 65.708 13.393 10.574 1.00 0.00 H new ATOM 0 HB3 HIS A 32 64.488 14.463 9.913 1.00 0.00 H new ATOM 0 HD2 HIS A 32 64.944 17.223 10.385 1.00 0.00 H new ATOM 0 HE1 HIS A 32 68.520 16.752 12.584 1.00 0.00 H new ATOM 0 HE2 HIS A 32 67.001 18.482 11.460 1.00 0.00 H new ATOM 466 N THR A 33 62.777 12.046 11.159 1.00 0.00 N ATOM 467 CA THR A 33 61.585 11.409 10.605 1.00 0.00 C ATOM 468 C THR A 33 60.543 11.208 11.689 1.00 0.00 C ATOM 469 O THR A 33 59.377 10.939 11.400 1.00 0.00 O ATOM 470 CB THR A 33 61.948 10.045 10.013 1.00 0.00 C ATOM 471 OG1 THR A 33 62.763 9.346 10.940 1.00 0.00 O ATOM 472 CG2 THR A 33 62.700 10.216 8.687 1.00 0.00 C ATOM 0 H THR A 33 63.550 11.406 11.344 1.00 0.00 H new ATOM 0 HA THR A 33 61.182 12.056 9.826 1.00 0.00 H new ATOM 0 HB THR A 33 61.035 9.482 9.819 1.00 0.00 H new ATOM 0 HG1 THR A 33 63.623 9.132 10.523 1.00 0.00 H new ATOM 0 HG21 THR A 33 62.950 9.236 8.281 1.00 0.00 H new ATOM 0 HG22 THR A 33 62.070 10.752 7.978 1.00 0.00 H new ATOM 0 HG23 THR A 33 63.616 10.782 8.858 1.00 0.00 H new ATOM 480 N ASP A 34 60.967 11.325 12.942 1.00 0.00 N ATOM 481 CA ASP A 34 60.040 11.135 14.056 1.00 0.00 C ATOM 482 C ASP A 34 58.972 12.218 14.030 1.00 0.00 C ATOM 483 O ASP A 34 57.797 11.957 14.283 1.00 0.00 O ATOM 484 CB ASP A 34 60.792 11.184 15.389 1.00 0.00 C ATOM 485 CG ASP A 34 61.437 9.830 15.687 1.00 0.00 C ATOM 486 OD1 ASP A 34 60.715 8.872 15.889 1.00 0.00 O ATOM 487 OD2 ASP A 34 62.651 9.772 15.682 1.00 0.00 O ATOM 0 H ASP A 34 61.926 11.546 13.211 1.00 0.00 H new ATOM 0 HA ASP A 34 59.567 10.158 13.954 1.00 0.00 H new ATOM 0 HB2 ASP A 34 61.558 11.959 15.354 1.00 0.00 H new ATOM 0 HB3 ASP A 34 60.105 11.451 16.192 1.00 0.00 H new ATOM 492 N MET A 35 59.395 13.435 13.716 1.00 0.00 N ATOM 493 CA MET A 35 58.473 14.564 13.653 1.00 0.00 C ATOM 494 C MET A 35 57.489 14.392 12.498 1.00 0.00 C ATOM 495 O MET A 35 56.302 14.686 12.638 1.00 0.00 O ATOM 496 CB MET A 35 59.257 15.871 13.461 1.00 0.00 C ATOM 497 CG MET A 35 59.950 16.285 14.771 1.00 0.00 C ATOM 498 SD MET A 35 61.143 17.615 14.430 1.00 0.00 S ATOM 499 CE MET A 35 60.084 19.049 14.767 1.00 0.00 C ATOM 0 H MET A 35 60.365 13.667 13.502 1.00 0.00 H new ATOM 0 HA MET A 35 57.917 14.604 14.589 1.00 0.00 H new ATOM 0 HB2 MET A 35 60.001 15.743 12.675 1.00 0.00 H new ATOM 0 HB3 MET A 35 58.582 16.662 13.135 1.00 0.00 H new ATOM 0 HG2 MET A 35 59.209 16.623 15.496 1.00 0.00 H new ATOM 0 HG3 MET A 35 60.460 15.428 15.212 1.00 0.00 H new ATOM 0 HE1 MET A 35 60.652 19.966 14.608 1.00 0.00 H new ATOM 0 HE2 MET A 35 59.225 19.033 14.096 1.00 0.00 H new ATOM 0 HE3 MET A 35 59.738 19.011 15.800 1.00 0.00 H new ATOM 509 N ASP A 36 57.999 13.926 11.357 1.00 0.00 N ATOM 510 CA ASP A 36 57.169 13.728 10.168 1.00 0.00 C ATOM 511 C ASP A 36 56.287 12.489 10.308 1.00 0.00 C ATOM 512 O ASP A 36 56.751 11.435 10.742 1.00 0.00 O ATOM 513 CB ASP A 36 58.064 13.567 8.937 1.00 0.00 C ATOM 514 CG ASP A 36 58.886 14.834 8.700 1.00 0.00 C ATOM 515 OD1 ASP A 36 58.289 15.887 8.551 1.00 0.00 O ATOM 516 OD2 ASP A 36 60.101 14.722 8.659 1.00 0.00 O ATOM 0 H ASP A 36 58.981 13.679 11.231 1.00 0.00 H new ATOM 0 HA ASP A 36 56.527 14.602 10.056 1.00 0.00 H new ATOM 0 HB2 ASP A 36 58.730 12.715 9.074 1.00 0.00 H new ATOM 0 HB3 ASP A 36 57.452 13.355 8.061 1.00 0.00 H new ATOM 521 N LEU A 37 55.022 12.633 9.909 1.00 0.00 N ATOM 522 CA LEU A 37 54.055 11.531 9.960 1.00 0.00 C ATOM 523 C LEU A 37 54.272 10.609 8.762 1.00 0.00 C ATOM 524 O LEU A 37 54.598 11.077 7.668 1.00 0.00 O ATOM 525 CB LEU A 37 52.613 12.083 9.909 1.00 0.00 C ATOM 526 CG LEU A 37 52.245 12.897 11.196 1.00 0.00 C ATOM 527 CD1 LEU A 37 50.933 13.665 10.976 1.00 0.00 C ATOM 528 CD2 LEU A 37 52.078 12.014 12.462 1.00 0.00 C ATOM 0 H LEU A 37 54.640 13.506 9.545 1.00 0.00 H new ATOM 0 HA LEU A 37 54.199 10.980 10.890 1.00 0.00 H new ATOM 0 HB2 LEU A 37 52.501 12.722 9.033 1.00 0.00 H new ATOM 0 HB3 LEU A 37 51.913 11.256 9.792 1.00 0.00 H new ATOM 0 HG LEU A 37 53.082 13.574 11.368 1.00 0.00 H new ATOM 0 HD11 LEU A 37 50.685 14.228 11.876 1.00 0.00 H new ATOM 0 HD12 LEU A 37 51.050 14.353 10.139 1.00 0.00 H new ATOM 0 HD13 LEU A 37 50.131 12.960 10.757 1.00 0.00 H new ATOM 0 HD21 LEU A 37 51.824 12.644 13.314 1.00 0.00 H new ATOM 0 HD22 LEU A 37 51.282 11.288 12.297 1.00 0.00 H new ATOM 0 HD23 LEU A 37 53.011 11.489 12.665 1.00 0.00 H new ATOM 540 N THR A 38 54.086 9.304 8.973 1.00 0.00 N ATOM 541 CA THR A 38 54.262 8.319 7.903 1.00 0.00 C ATOM 542 C THR A 38 53.052 8.322 6.972 1.00 0.00 C ATOM 543 O THR A 38 51.996 8.851 7.322 1.00 0.00 O ATOM 544 CB THR A 38 54.429 6.915 8.498 1.00 0.00 C ATOM 545 OG1 THR A 38 53.155 6.411 8.872 1.00 0.00 O ATOM 546 CG2 THR A 38 55.338 6.958 9.733 1.00 0.00 C ATOM 0 H THR A 38 53.814 8.906 9.872 1.00 0.00 H new ATOM 0 HA THR A 38 55.155 8.587 7.338 1.00 0.00 H new ATOM 0 HB THR A 38 54.884 6.267 7.749 1.00 0.00 H new ATOM 0 HG1 THR A 38 53.257 5.513 9.251 1.00 0.00 H new ATOM 0 HG21 THR A 38 55.445 5.953 10.141 1.00 0.00 H new ATOM 0 HG22 THR A 38 56.319 7.341 9.450 1.00 0.00 H new ATOM 0 HG23 THR A 38 54.897 7.611 10.486 1.00 0.00 H new ATOM 554 N TYR A 39 53.225 7.724 5.789 1.00 0.00 N ATOM 555 CA TYR A 39 52.156 7.645 4.789 1.00 0.00 C ATOM 556 C TYR A 39 51.199 6.498 5.102 1.00 0.00 C ATOM 557 O TYR A 39 51.618 5.428 5.542 1.00 0.00 O ATOM 558 CB TYR A 39 52.761 7.425 3.401 1.00 0.00 C ATOM 559 CG TYR A 39 53.584 8.655 3.000 1.00 0.00 C ATOM 560 CD1 TYR A 39 54.939 8.735 3.351 1.00 0.00 C ATOM 561 CD2 TYR A 39 52.984 9.705 2.292 1.00 0.00 C ATOM 562 CE1 TYR A 39 55.690 9.853 2.990 1.00 0.00 C ATOM 563 CE2 TYR A 39 53.737 10.823 1.930 1.00 0.00 C ATOM 564 CZ TYR A 39 55.092 10.902 2.281 1.00 0.00 C ATOM 565 OH TYR A 39 55.834 12.009 1.925 1.00 0.00 O ATOM 0 H TYR A 39 54.100 7.286 5.500 1.00 0.00 H new ATOM 0 HA TYR A 39 51.601 8.583 4.811 1.00 0.00 H new ATOM 0 HB2 TYR A 39 53.393 6.537 3.405 1.00 0.00 H new ATOM 0 HB3 TYR A 39 51.970 7.250 2.672 1.00 0.00 H new ATOM 0 HD1 TYR A 39 55.402 7.929 3.902 1.00 0.00 H new ATOM 0 HD2 TYR A 39 51.939 9.649 2.026 1.00 0.00 H new ATOM 0 HE1 TYR A 39 56.735 9.910 3.258 1.00 0.00 H new ATOM 0 HE2 TYR A 39 53.275 11.629 1.379 1.00 0.00 H new ATOM 0 HH TYR A 39 55.265 12.641 1.437 1.00 0.00 H new ATOM 575 N THR A 40 49.911 6.729 4.865 1.00 0.00 N ATOM 576 CA THR A 40 48.898 5.707 5.118 1.00 0.00 C ATOM 577 C THR A 40 49.087 4.532 4.162 1.00 0.00 C ATOM 578 O THR A 40 48.840 3.380 4.520 1.00 0.00 O ATOM 579 CB THR A 40 47.490 6.291 4.926 1.00 0.00 C ATOM 580 OG1 THR A 40 47.439 6.994 3.692 1.00 0.00 O ATOM 581 CG2 THR A 40 47.135 7.246 6.075 1.00 0.00 C ATOM 0 H THR A 40 49.545 7.608 4.501 1.00 0.00 H new ATOM 0 HA THR A 40 49.008 5.362 6.146 1.00 0.00 H new ATOM 0 HB THR A 40 46.769 5.473 4.921 1.00 0.00 H new ATOM 0 HG1 THR A 40 46.542 7.367 3.565 1.00 0.00 H new ATOM 0 HG21 THR A 40 46.134 7.648 5.918 1.00 0.00 H new ATOM 0 HG22 THR A 40 47.165 6.705 7.021 1.00 0.00 H new ATOM 0 HG23 THR A 40 47.854 8.065 6.103 1.00 0.00 H new ATOM 589 N ASP A 41 49.527 4.841 2.945 1.00 0.00 N ATOM 590 CA ASP A 41 49.750 3.822 1.923 1.00 0.00 C ATOM 591 C ASP A 41 50.996 3.000 2.246 1.00 0.00 C ATOM 592 O ASP A 41 51.883 3.457 2.966 1.00 0.00 O ATOM 593 CB ASP A 41 49.912 4.498 0.558 1.00 0.00 C ATOM 594 CG ASP A 41 49.991 3.459 -0.559 1.00 0.00 C ATOM 595 OD1 ASP A 41 49.060 2.677 -0.690 1.00 0.00 O ATOM 596 OD2 ASP A 41 50.964 3.486 -1.288 1.00 0.00 O ATOM 0 H ASP A 41 49.737 5.792 2.642 1.00 0.00 H new ATOM 0 HA ASP A 41 48.891 3.151 1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 41 49.072 5.168 0.378 1.00 0.00 H new ATOM 0 HB3 ASP A 41 50.814 5.110 0.555 1.00 0.00 H new ATOM 601 N ARG A 42 51.052 1.784 1.710 1.00 0.00 N ATOM 602 CA ARG A 42 52.194 0.905 1.952 1.00 0.00 C ATOM 603 C ARG A 42 53.456 1.506 1.340 1.00 0.00 C ATOM 604 O ARG A 42 53.444 1.958 0.195 1.00 0.00 O ATOM 605 CB ARG A 42 51.937 -0.479 1.324 1.00 0.00 C ATOM 606 CG ARG A 42 50.817 -1.237 2.088 1.00 0.00 C ATOM 607 CD ARG A 42 50.456 -2.560 1.374 1.00 0.00 C ATOM 608 NE ARG A 42 49.448 -3.299 2.152 1.00 0.00 N ATOM 609 CZ ARG A 42 48.161 -2.978 2.159 1.00 0.00 C ATOM 610 NH1 ARG A 42 47.739 -1.959 1.467 1.00 0.00 N ATOM 611 NH2 ARG A 42 47.317 -3.688 2.857 1.00 0.00 N ATOM 0 H ARG A 42 50.328 1.387 1.111 1.00 0.00 H new ATOM 0 HA ARG A 42 52.328 0.797 3.028 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.653 -0.361 0.278 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.855 -1.066 1.341 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.145 -1.447 3.106 1.00 0.00 H new ATOM 0 HG3 ARG A 42 49.931 -0.606 2.162 1.00 0.00 H new ATOM 0 HD2 ARG A 42 50.073 -2.350 0.375 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.350 -3.171 1.250 1.00 0.00 H new ATOM 0 HE ARG A 42 49.754 -4.095 2.712 1.00 0.00 H new ATOM 0 HH11 ARG A 42 48.398 -1.407 0.919 1.00 0.00 H new ATOM 0 HH12 ARG A 42 46.749 -1.713 1.473 1.00 0.00 H new ATOM 0 HH21 ARG A 42 47.647 -4.488 3.396 1.00 0.00 H new ATOM 0 HH22 ARG A 42 46.327 -3.442 2.863 1.00 0.00 H new ATOM 625 N ASP A 43 54.539 1.506 2.114 1.00 0.00 N ATOM 626 CA ASP A 43 55.811 2.054 1.650 1.00 0.00 C ATOM 627 C ASP A 43 56.458 1.130 0.622 1.00 0.00 C ATOM 628 O ASP A 43 56.378 -0.094 0.739 1.00 0.00 O ATOM 629 CB ASP A 43 56.763 2.241 2.835 1.00 0.00 C ATOM 630 CG ASP A 43 56.216 3.290 3.805 1.00 0.00 C ATOM 631 OD1 ASP A 43 55.968 4.405 3.368 1.00 0.00 O ATOM 632 OD2 ASP A 43 56.059 2.962 4.968 1.00 0.00 O ATOM 0 H ASP A 43 54.561 1.133 3.063 1.00 0.00 H new ATOM 0 HA ASP A 43 55.615 3.018 1.181 1.00 0.00 H new ATOM 0 HB2 ASP A 43 56.896 1.292 3.354 1.00 0.00 H new ATOM 0 HB3 ASP A 43 57.745 2.548 2.475 1.00 0.00 H new ATOM 637 N TYR A 44 57.104 1.732 -0.377 1.00 0.00 N ATOM 638 CA TYR A 44 57.774 0.972 -1.429 1.00 0.00 C ATOM 639 C TYR A 44 59.089 0.392 -0.914 1.00 0.00 C ATOM 640 O TYR A 44 59.818 1.052 -0.172 1.00 0.00 O ATOM 641 CB TYR A 44 58.062 1.884 -2.624 1.00 0.00 C ATOM 642 CG TYR A 44 56.739 2.317 -3.269 1.00 0.00 C ATOM 643 CD1 TYR A 44 56.122 1.484 -4.211 1.00 0.00 C ATOM 644 CD2 TYR A 44 56.146 3.538 -2.922 1.00 0.00 C ATOM 645 CE1 TYR A 44 54.917 1.872 -4.810 1.00 0.00 C ATOM 646 CE2 TYR A 44 54.942 3.925 -3.521 1.00 0.00 C ATOM 647 CZ TYR A 44 54.326 3.091 -4.467 1.00 0.00 C ATOM 648 OH TYR A 44 53.139 3.473 -5.057 1.00 0.00 O ATOM 0 H TYR A 44 57.177 2.744 -0.479 1.00 0.00 H new ATOM 0 HA TYR A 44 57.119 0.156 -1.736 1.00 0.00 H new ATOM 0 HB2 TYR A 44 58.624 2.760 -2.299 1.00 0.00 H new ATOM 0 HB3 TYR A 44 58.680 1.361 -3.353 1.00 0.00 H new ATOM 0 HD1 TYR A 44 56.576 0.541 -4.476 1.00 0.00 H new ATOM 0 HD2 TYR A 44 56.618 4.180 -2.193 1.00 0.00 H new ATOM 0 HE1 TYR A 44 54.444 1.229 -5.537 1.00 0.00 H new ATOM 0 HE2 TYR A 44 54.486 4.867 -3.255 1.00 0.00 H new ATOM 0 HH TYR A 44 52.865 4.346 -4.706 1.00 0.00 H new ATOM 658 N LYS A 45 59.385 -0.841 -1.315 1.00 0.00 N ATOM 659 CA LYS A 45 60.617 -1.503 -0.890 1.00 0.00 C ATOM 660 C LYS A 45 61.820 -0.843 -1.561 1.00 0.00 C ATOM 661 O LYS A 45 61.785 -0.537 -2.754 1.00 0.00 O ATOM 662 CB LYS A 45 60.578 -2.998 -1.265 1.00 0.00 C ATOM 663 CG LYS A 45 59.483 -3.749 -0.456 1.00 0.00 C ATOM 664 CD LYS A 45 59.406 -5.241 -0.884 1.00 0.00 C ATOM 665 CE LYS A 45 58.340 -5.998 -0.067 1.00 0.00 C ATOM 666 NZ LYS A 45 58.289 -7.414 -0.525 1.00 0.00 N ATOM 0 H LYS A 45 58.794 -1.400 -1.930 1.00 0.00 H new ATOM 0 HA LYS A 45 60.707 -1.409 0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 45 60.383 -3.104 -2.332 1.00 0.00 H new ATOM 0 HB3 LYS A 45 61.551 -3.450 -1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 45 59.702 -3.683 0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 45 58.516 -3.271 -0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 45 59.169 -5.306 -1.946 1.00 0.00 H new ATOM 0 HD3 LYS A 45 60.379 -5.713 -0.745 1.00 0.00 H new ATOM 0 HE2 LYS A 45 58.580 -5.955 0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 45 57.365 -5.527 -0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 57.571 -7.930 0.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 58.042 -7.444 -1.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 59.219 -7.858 -0.383 1.00 0.00 H new ATOM 680 N ASN A 46 62.879 -0.623 -0.781 1.00 0.00 N ATOM 681 CA ASN A 46 64.092 0.009 -1.298 1.00 0.00 C ATOM 682 C ASN A 46 64.873 -0.953 -2.188 1.00 0.00 C ATOM 683 O ASN A 46 65.139 -2.093 -1.806 1.00 0.00 O ATOM 684 CB ASN A 46 64.981 0.456 -0.134 1.00 0.00 C ATOM 685 CG ASN A 46 64.274 1.530 0.690 1.00 0.00 C ATOM 686 OD1 ASN A 46 63.837 2.543 0.150 1.00 0.00 O ATOM 687 ND2 ASN A 46 64.138 1.362 1.981 1.00 0.00 N ATOM 0 H ASN A 46 62.921 -0.872 0.207 1.00 0.00 H new ATOM 0 HA ASN A 46 63.797 0.874 -1.893 1.00 0.00 H new ATOM 0 HB2 ASN A 46 65.221 -0.399 0.499 1.00 0.00 H new ATOM 0 HB3 ASN A 46 65.925 0.844 -0.517 1.00 0.00 H new ATOM 0 HD21 ASN A 46 63.668 2.073 2.541 1.00 0.00 H new ATOM 0 HD22 ASN A 46 64.502 0.520 2.427 1.00 0.00 H new ATOM 694 N CYS A 47 65.239 -0.482 -3.376 1.00 0.00 N ATOM 695 CA CYS A 47 65.994 -1.301 -4.317 1.00 0.00 C ATOM 696 C CYS A 47 67.393 -1.590 -3.781 1.00 0.00 C ATOM 697 O CYS A 47 67.912 -2.695 -3.939 1.00 0.00 O ATOM 698 CB CYS A 47 66.102 -0.583 -5.664 1.00 0.00 C ATOM 699 SG CYS A 47 64.459 -0.450 -6.413 1.00 0.00 S ATOM 0 H CYS A 47 65.026 0.458 -3.709 1.00 0.00 H new ATOM 0 HA CYS A 47 65.467 -2.246 -4.448 1.00 0.00 H new ATOM 0 HB2 CYS A 47 66.531 0.409 -5.525 1.00 0.00 H new ATOM 0 HB3 CYS A 47 66.772 -1.130 -6.327 1.00 0.00 H new ATOM 0 HG CYS A 47 64.551 0.162 -7.556 1.00 0.00 H new ATOM 705 N GLU A 48 68.000 -0.589 -3.150 1.00 0.00 N ATOM 706 CA GLU A 48 69.344 -0.747 -2.602 1.00 0.00 C ATOM 707 C GLU A 48 69.313 -1.752 -1.449 1.00 0.00 C ATOM 708 O GLU A 48 68.388 -1.743 -0.636 1.00 0.00 O ATOM 709 CB GLU A 48 69.860 0.626 -2.106 1.00 0.00 C ATOM 710 CG GLU A 48 71.379 0.604 -1.767 1.00 0.00 C ATOM 711 CD GLU A 48 71.852 2.000 -1.358 1.00 0.00 C ATOM 712 OE1 GLU A 48 71.010 2.841 -1.096 1.00 0.00 O ATOM 713 OE2 GLU A 48 73.056 2.192 -1.297 1.00 0.00 O ATOM 0 H GLU A 48 67.587 0.333 -3.006 1.00 0.00 H new ATOM 0 HA GLU A 48 70.016 -1.121 -3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 48 69.673 1.379 -2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 48 69.298 0.924 -1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 48 71.568 -0.103 -0.959 1.00 0.00 H new ATOM 0 HG3 GLU A 48 71.946 0.259 -2.631 1.00 0.00 H new ATOM 720 N SER A 49 70.334 -2.608 -1.390 1.00 0.00 N ATOM 721 CA SER A 49 70.435 -3.614 -0.339 1.00 0.00 C ATOM 722 C SER A 49 71.855 -4.160 -0.290 1.00 0.00 C ATOM 723 O SER A 49 72.603 -4.019 -1.259 1.00 0.00 O ATOM 724 CB SER A 49 69.453 -4.757 -0.600 1.00 0.00 C ATOM 725 OG SER A 49 69.660 -5.263 -1.913 1.00 0.00 O ATOM 0 H SER A 49 71.103 -2.622 -2.060 1.00 0.00 H new ATOM 0 HA SER A 49 70.189 -3.151 0.617 1.00 0.00 H new ATOM 0 HB2 SER A 49 69.596 -5.550 0.134 1.00 0.00 H new ATOM 0 HB3 SER A 49 68.428 -4.403 -0.492 1.00 0.00 H new ATOM 0 HG SER A 49 69.033 -5.997 -2.083 1.00 0.00 H new ATOM 731 N TYR A 50 72.202 -4.776 0.847 1.00 0.00 N ATOM 732 CA TYR A 50 73.527 -5.363 1.062 1.00 0.00 C ATOM 733 C TYR A 50 73.401 -6.680 1.824 1.00 0.00 C ATOM 734 O TYR A 50 72.533 -6.830 2.682 1.00 0.00 O ATOM 735 CB TYR A 50 74.394 -4.386 1.857 1.00 0.00 C ATOM 736 CG TYR A 50 75.121 -3.425 0.905 1.00 0.00 C ATOM 737 CD1 TYR A 50 76.331 -3.818 0.315 1.00 0.00 C ATOM 738 CD2 TYR A 50 74.590 -2.158 0.635 1.00 0.00 C ATOM 739 CE1 TYR A 50 77.008 -2.942 -0.540 1.00 0.00 C ATOM 740 CE2 TYR A 50 75.268 -1.284 -0.223 1.00 0.00 C ATOM 741 CZ TYR A 50 76.477 -1.674 -0.811 1.00 0.00 C ATOM 742 OH TYR A 50 77.143 -0.811 -1.656 1.00 0.00 O ATOM 0 H TYR A 50 71.572 -4.881 1.642 1.00 0.00 H new ATOM 0 HA TYR A 50 73.992 -5.559 0.096 1.00 0.00 H new ATOM 0 HB2 TYR A 50 73.773 -3.820 2.552 1.00 0.00 H new ATOM 0 HB3 TYR A 50 75.121 -4.937 2.454 1.00 0.00 H new ATOM 0 HD1 TYR A 50 76.740 -4.796 0.521 1.00 0.00 H new ATOM 0 HD2 TYR A 50 73.658 -1.855 1.088 1.00 0.00 H new ATOM 0 HE1 TYR A 50 77.941 -3.243 -0.992 1.00 0.00 H new ATOM 0 HE2 TYR A 50 74.858 -0.307 -0.432 1.00 0.00 H new ATOM 0 HH TYR A 50 76.637 0.024 -1.736 1.00 0.00 H new ATOM 752 N HIS A 51 74.274 -7.629 1.493 1.00 0.00 N ATOM 753 CA HIS A 51 74.261 -8.941 2.139 1.00 0.00 C ATOM 754 C HIS A 51 74.797 -8.850 3.565 1.00 0.00 C ATOM 755 O HIS A 51 74.768 -9.832 4.309 1.00 0.00 O ATOM 756 CB HIS A 51 75.130 -9.918 1.343 1.00 0.00 C ATOM 757 CG HIS A 51 74.486 -10.208 0.018 1.00 0.00 C ATOM 758 ND1 HIS A 51 73.410 -11.080 -0.109 1.00 0.00 N ATOM 759 CD2 HIS A 51 74.761 -9.767 -1.250 1.00 0.00 C ATOM 760 CE1 HIS A 51 73.082 -11.128 -1.412 1.00 0.00 C ATOM 761 NE2 HIS A 51 73.875 -10.348 -2.152 1.00 0.00 N ATOM 0 H HIS A 51 74.998 -7.515 0.783 1.00 0.00 H new ATOM 0 HA HIS A 51 73.230 -9.295 2.169 1.00 0.00 H new ATOM 0 HB2 HIS A 51 76.123 -9.495 1.190 1.00 0.00 H new ATOM 0 HB3 HIS A 51 75.261 -10.843 1.904 1.00 0.00 H new ATOM 0 HD2 HIS A 51 75.547 -9.073 -1.510 1.00 0.00 H new ATOM 0 HE1 HIS A 51 72.275 -11.725 -1.812 1.00 0.00 H new ATOM 0 HE2 HIS A 51 73.839 -10.208 -3.162 1.00 0.00 H new ATOM 769 N LYS A 52 75.306 -7.675 3.926 1.00 0.00 N ATOM 770 CA LYS A 52 75.873 -7.457 5.256 1.00 0.00 C ATOM 771 C LYS A 52 74.850 -7.755 6.358 1.00 0.00 C ATOM 772 O LYS A 52 74.980 -8.770 7.047 1.00 0.00 O ATOM 773 CB LYS A 52 76.374 -6.000 5.382 1.00 0.00 C ATOM 774 CG LYS A 52 77.591 -5.746 4.449 1.00 0.00 C ATOM 775 CD LYS A 52 78.048 -4.263 4.528 1.00 0.00 C ATOM 776 CE LYS A 52 79.271 -4.019 3.620 1.00 0.00 C ATOM 777 NZ LYS A 52 79.673 -2.588 3.712 1.00 0.00 N ATOM 0 H LYS A 52 75.338 -6.858 3.316 1.00 0.00 H new ATOM 0 HA LYS A 52 76.711 -8.143 5.381 1.00 0.00 H new ATOM 0 HB2 LYS A 52 75.568 -5.311 5.129 1.00 0.00 H new ATOM 0 HB3 LYS A 52 76.655 -5.796 6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 52 78.415 -6.401 4.733 1.00 0.00 H new ATOM 0 HG3 LYS A 52 77.325 -5.995 3.422 1.00 0.00 H new ATOM 0 HD2 LYS A 52 77.230 -3.609 4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 52 78.297 -4.009 5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 52 80.098 -4.661 3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 52 79.030 -4.276 2.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 80.498 -2.419 3.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 78.884 -1.985 3.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 79.919 -2.359 4.696 1.00 0.00 H new ATOM 791 N CYS A 53 73.847 -6.870 6.504 1.00 0.00 N ATOM 792 CA CYS A 53 72.791 -7.021 7.523 1.00 0.00 C ATOM 793 C CYS A 53 71.534 -7.679 6.911 1.00 0.00 C ATOM 794 O CYS A 53 71.648 -8.747 6.306 1.00 0.00 O ATOM 795 CB CYS A 53 72.488 -5.635 8.123 1.00 0.00 C ATOM 796 SG CYS A 53 71.508 -5.826 9.636 1.00 0.00 S ATOM 0 H CYS A 53 73.745 -6.037 5.925 1.00 0.00 H new ATOM 0 HA CYS A 53 73.128 -7.681 8.322 1.00 0.00 H new ATOM 0 HB2 CYS A 53 73.419 -5.112 8.344 1.00 0.00 H new ATOM 0 HB3 CYS A 53 71.945 -5.026 7.401 1.00 0.00 H new ATOM 0 HG CYS A 53 71.077 -4.662 10.024 1.00 0.00 H new ATOM 802 N SER A 54 70.363 -7.024 7.064 1.00 0.00 N ATOM 803 CA SER A 54 69.084 -7.492 6.533 1.00 0.00 C ATOM 804 C SER A 54 68.475 -6.364 5.689 1.00 0.00 C ATOM 805 O SER A 54 69.125 -5.897 4.751 1.00 0.00 O ATOM 806 CB SER A 54 68.168 -7.877 7.703 1.00 0.00 C ATOM 807 OG SER A 54 67.896 -6.727 8.497 1.00 0.00 O ATOM 0 H SER A 54 70.289 -6.141 7.570 1.00 0.00 H new ATOM 0 HA SER A 54 69.214 -8.372 5.903 1.00 0.00 H new ATOM 0 HB2 SER A 54 67.237 -8.299 7.325 1.00 0.00 H new ATOM 0 HB3 SER A 54 68.643 -8.647 8.311 1.00 0.00 H new ATOM 0 HG SER A 54 67.310 -6.975 9.242 1.00 0.00 H new ATOM 813 N ASP A 55 67.244 -5.941 6.017 1.00 0.00 N ATOM 814 CA ASP A 55 66.552 -4.868 5.284 1.00 0.00 C ATOM 815 C ASP A 55 65.668 -4.045 6.214 1.00 0.00 C ATOM 816 O ASP A 55 65.148 -3.003 5.813 1.00 0.00 O ATOM 817 CB ASP A 55 65.674 -5.469 4.184 1.00 0.00 C ATOM 818 CG ASP A 55 66.524 -6.192 3.138 1.00 0.00 C ATOM 819 OD1 ASP A 55 67.438 -5.582 2.627 1.00 0.00 O ATOM 820 OD2 ASP A 55 66.244 -7.354 2.879 1.00 0.00 O ATOM 0 H ASP A 55 66.704 -6.329 6.791 1.00 0.00 H new ATOM 0 HA ASP A 55 67.314 -4.220 4.850 1.00 0.00 H new ATOM 0 HB2 ASP A 55 64.961 -6.166 4.623 1.00 0.00 H new ATOM 0 HB3 ASP A 55 65.094 -4.680 3.705 1.00 0.00 H new ATOM 825 N LEU A 56 65.485 -4.508 7.446 1.00 0.00 N ATOM 826 CA LEU A 56 64.645 -3.783 8.388 1.00 0.00 C ATOM 827 C LEU A 56 65.276 -2.426 8.696 1.00 0.00 C ATOM 828 O LEU A 56 64.632 -1.390 8.515 1.00 0.00 O ATOM 829 CB LEU A 56 64.474 -4.586 9.707 1.00 0.00 C ATOM 830 CG LEU A 56 63.975 -6.056 9.468 1.00 0.00 C ATOM 831 CD1 LEU A 56 63.842 -6.807 10.806 1.00 0.00 C ATOM 832 CD2 LEU A 56 62.608 -6.112 8.750 1.00 0.00 C ATOM 0 H LEU A 56 65.899 -5.366 7.810 1.00 0.00 H new ATOM 0 HA LEU A 56 63.663 -3.641 7.938 1.00 0.00 H new ATOM 0 HB2 LEU A 56 65.427 -4.613 10.236 1.00 0.00 H new ATOM 0 HB3 LEU A 56 63.765 -4.068 10.353 1.00 0.00 H new ATOM 0 HG LEU A 56 64.723 -6.528 8.831 1.00 0.00 H new ATOM 0 HD11 LEU A 56 63.495 -7.823 10.620 1.00 0.00 H new ATOM 0 HD12 LEU A 56 64.812 -6.840 11.303 1.00 0.00 H new ATOM 0 HD13 LEU A 56 63.125 -6.290 11.444 1.00 0.00 H new ATOM 0 HD21 LEU A 56 62.312 -7.152 8.611 1.00 0.00 H new ATOM 0 HD22 LEU A 56 61.859 -5.599 9.353 1.00 0.00 H new ATOM 0 HD23 LEU A 56 62.687 -5.624 7.778 1.00 0.00 H new ATOM 844 N CYS A 57 66.546 -2.452 9.130 1.00 0.00 N ATOM 845 CA CYS A 57 67.307 -1.248 9.446 1.00 0.00 C ATOM 846 C CYS A 57 68.122 -0.833 8.227 1.00 0.00 C ATOM 847 O CYS A 57 69.054 -1.528 7.831 1.00 0.00 O ATOM 848 CB CYS A 57 68.205 -1.550 10.641 1.00 0.00 C ATOM 849 SG CYS A 57 69.364 -0.182 10.938 1.00 0.00 S ATOM 0 H CYS A 57 67.070 -3.316 9.270 1.00 0.00 H new ATOM 0 HA CYS A 57 66.644 -0.421 9.702 1.00 0.00 H new ATOM 0 HB2 CYS A 57 67.594 -1.714 11.529 1.00 0.00 H new ATOM 0 HB3 CYS A 57 68.760 -2.471 10.461 1.00 0.00 H new ATOM 854 N GLN A 58 67.743 0.278 7.617 1.00 0.00 N ATOM 855 CA GLN A 58 68.427 0.758 6.416 1.00 0.00 C ATOM 856 C GLN A 58 69.839 1.272 6.715 1.00 0.00 C ATOM 857 O GLN A 58 70.723 1.195 5.865 1.00 0.00 O ATOM 858 CB GLN A 58 67.617 1.882 5.739 1.00 0.00 C ATOM 859 CG GLN A 58 66.928 2.779 6.781 1.00 0.00 C ATOM 860 CD GLN A 58 66.560 4.116 6.146 1.00 0.00 C ATOM 861 OE1 GLN A 58 66.237 4.172 4.960 1.00 0.00 O ATOM 862 NE2 GLN A 58 66.588 5.200 6.869 1.00 0.00 N ATOM 0 H GLN A 58 66.970 0.866 7.928 1.00 0.00 H new ATOM 0 HA GLN A 58 68.510 -0.097 5.746 1.00 0.00 H new ATOM 0 HB2 GLN A 58 68.278 2.485 5.117 1.00 0.00 H new ATOM 0 HB3 GLN A 58 66.867 1.446 5.079 1.00 0.00 H new ATOM 0 HG2 GLN A 58 66.033 2.288 7.162 1.00 0.00 H new ATOM 0 HG3 GLN A 58 67.590 2.940 7.632 1.00 0.00 H new ATOM 0 HE21 GLN A 58 66.856 5.151 7.852 1.00 0.00 H new ATOM 0 HE22 GLN A 58 66.342 6.098 6.452 1.00 0.00 H new ATOM 871 N TYR A 59 70.029 1.830 7.904 1.00 0.00 N ATOM 872 CA TYR A 59 71.317 2.402 8.293 1.00 0.00 C ATOM 873 C TYR A 59 72.355 1.342 8.630 1.00 0.00 C ATOM 874 O TYR A 59 73.555 1.594 8.513 1.00 0.00 O ATOM 875 CB TYR A 59 71.123 3.332 9.482 1.00 0.00 C ATOM 876 CG TYR A 59 71.427 4.772 9.048 1.00 0.00 C ATOM 877 CD1 TYR A 59 70.427 5.533 8.437 1.00 0.00 C ATOM 878 CD2 TYR A 59 72.692 5.325 9.268 1.00 0.00 C ATOM 879 CE1 TYR A 59 70.694 6.851 8.039 1.00 0.00 C ATOM 880 CE2 TYR A 59 72.959 6.642 8.869 1.00 0.00 C ATOM 881 CZ TYR A 59 71.963 7.405 8.258 1.00 0.00 C ATOM 882 OH TYR A 59 72.226 8.700 7.866 1.00 0.00 O ATOM 0 H TYR A 59 69.306 1.900 8.620 1.00 0.00 H new ATOM 0 HA TYR A 59 71.697 2.957 7.435 1.00 0.00 H new ATOM 0 HB2 TYR A 59 70.101 3.259 9.854 1.00 0.00 H new ATOM 0 HB3 TYR A 59 71.781 3.039 10.300 1.00 0.00 H new ATOM 0 HD1 TYR A 59 69.449 5.106 8.271 1.00 0.00 H new ATOM 0 HD2 TYR A 59 73.463 4.738 9.745 1.00 0.00 H new ATOM 0 HE1 TYR A 59 69.922 7.439 7.564 1.00 0.00 H new ATOM 0 HE2 TYR A 59 73.938 7.067 9.035 1.00 0.00 H new ATOM 0 HH TYR A 59 73.152 8.929 8.092 1.00 0.00 H new ATOM 892 N CYS A 60 71.901 0.164 9.051 1.00 0.00 N ATOM 893 CA CYS A 60 72.811 -0.908 9.395 1.00 0.00 C ATOM 894 C CYS A 60 73.663 -1.300 8.188 1.00 0.00 C ATOM 895 O CYS A 60 74.775 -1.797 8.344 1.00 0.00 O ATOM 896 CB CYS A 60 72.021 -2.125 9.855 1.00 0.00 C ATOM 897 SG CYS A 60 71.897 -2.209 11.676 1.00 0.00 S ATOM 0 H CYS A 60 70.913 -0.065 9.159 1.00 0.00 H new ATOM 0 HA CYS A 60 73.463 -0.559 10.196 1.00 0.00 H new ATOM 0 HB2 CYS A 60 71.020 -2.092 9.424 1.00 0.00 H new ATOM 0 HB3 CYS A 60 72.499 -3.031 9.482 1.00 0.00 H new ATOM 902 N ARG A 61 73.120 -1.099 6.988 1.00 0.00 N ATOM 903 CA ARG A 61 73.827 -1.468 5.762 1.00 0.00 C ATOM 904 C ARG A 61 75.168 -0.740 5.641 1.00 0.00 C ATOM 905 O ARG A 61 76.157 -1.334 5.209 1.00 0.00 O ATOM 906 CB ARG A 61 72.976 -1.091 4.540 1.00 0.00 C ATOM 907 CG ARG A 61 71.649 -1.891 4.516 1.00 0.00 C ATOM 908 CD ARG A 61 70.774 -1.461 3.329 1.00 0.00 C ATOM 909 NE ARG A 61 70.360 -0.071 3.470 1.00 0.00 N ATOM 910 CZ ARG A 61 69.604 0.532 2.559 1.00 0.00 C ATOM 911 NH1 ARG A 61 69.201 -0.129 1.510 1.00 0.00 N ATOM 912 NH2 ARG A 61 69.269 1.785 2.713 1.00 0.00 N ATOM 0 H ARG A 61 72.200 -0.686 6.839 1.00 0.00 H new ATOM 0 HA ARG A 61 74.005 -2.543 5.802 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.760 -0.023 4.559 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.539 -1.286 3.627 1.00 0.00 H new ATOM 0 HG2 ARG A 61 71.863 -2.958 4.448 1.00 0.00 H new ATOM 0 HG3 ARG A 61 71.107 -1.734 5.449 1.00 0.00 H new ATOM 0 HD2 ARG A 61 71.327 -1.588 2.398 1.00 0.00 H new ATOM 0 HD3 ARG A 61 69.895 -2.103 3.268 1.00 0.00 H new ATOM 0 HE ARG A 61 70.659 0.454 4.292 1.00 0.00 H new ATOM 0 HH11 ARG A 61 69.466 -1.107 1.390 1.00 0.00 H new ATOM 0 HH12 ARG A 61 68.620 0.331 0.809 1.00 0.00 H new ATOM 0 HH21 ARG A 61 69.588 2.301 3.533 1.00 0.00 H new ATOM 0 HH22 ARG A 61 68.689 2.247 2.013 1.00 0.00 H new ATOM 926 N TYR A 62 75.178 0.543 6.011 1.00 0.00 N ATOM 927 CA TYR A 62 76.387 1.369 5.928 1.00 0.00 C ATOM 928 C TYR A 62 77.265 1.199 7.158 1.00 0.00 C ATOM 929 O TYR A 62 78.459 0.916 7.032 1.00 0.00 O ATOM 930 CB TYR A 62 75.995 2.843 5.805 1.00 0.00 C ATOM 931 CG TYR A 62 75.214 3.055 4.503 1.00 0.00 C ATOM 932 CD1 TYR A 62 75.893 3.356 3.317 1.00 0.00 C ATOM 933 CD2 TYR A 62 73.814 2.933 4.497 1.00 0.00 C ATOM 934 CE1 TYR A 62 75.181 3.539 2.128 1.00 0.00 C ATOM 935 CE2 TYR A 62 73.105 3.125 3.309 1.00 0.00 C ATOM 936 CZ TYR A 62 73.782 3.424 2.124 1.00 0.00 C ATOM 937 OH TYR A 62 73.076 3.605 0.954 1.00 0.00 O ATOM 0 H TYR A 62 74.360 1.034 6.372 1.00 0.00 H new ATOM 0 HA TYR A 62 76.949 1.047 5.051 1.00 0.00 H new ATOM 0 HB2 TYR A 62 75.387 3.142 6.659 1.00 0.00 H new ATOM 0 HB3 TYR A 62 76.887 3.470 5.813 1.00 0.00 H new ATOM 0 HD1 TYR A 62 76.969 3.447 3.320 1.00 0.00 H new ATOM 0 HD2 TYR A 62 73.288 2.691 5.409 1.00 0.00 H new ATOM 0 HE1 TYR A 62 75.707 3.769 1.213 1.00 0.00 H new ATOM 0 HE2 TYR A 62 72.028 3.042 3.306 1.00 0.00 H new ATOM 0 HH TYR A 62 73.431 3.009 0.262 1.00 0.00 H new ATOM 947 N GLN A 63 76.650 1.390 8.333 1.00 0.00 N ATOM 948 CA GLN A 63 77.338 1.278 9.630 1.00 0.00 C ATOM 949 C GLN A 63 76.460 0.514 10.607 1.00 0.00 C ATOM 950 O GLN A 63 75.380 0.973 10.958 1.00 0.00 O ATOM 951 CB GLN A 63 77.625 2.675 10.227 1.00 0.00 C ATOM 952 CG GLN A 63 78.634 3.469 9.376 1.00 0.00 C ATOM 953 CD GLN A 63 78.885 4.831 10.013 1.00 0.00 C ATOM 954 OE1 GLN A 63 77.978 5.660 10.100 1.00 0.00 O ATOM 955 NE2 GLN A 63 80.075 5.118 10.463 1.00 0.00 N ATOM 0 H GLN A 63 75.661 1.627 8.413 1.00 0.00 H new ATOM 0 HA GLN A 63 78.280 0.755 9.467 1.00 0.00 H new ATOM 0 HB2 GLN A 63 76.693 3.236 10.302 1.00 0.00 H new ATOM 0 HB3 GLN A 63 78.013 2.564 11.240 1.00 0.00 H new ATOM 0 HG2 GLN A 63 79.570 2.917 9.295 1.00 0.00 H new ATOM 0 HG3 GLN A 63 78.250 3.596 8.364 1.00 0.00 H new ATOM 0 HE21 GLN A 63 80.826 4.432 10.391 1.00 0.00 H new ATOM 0 HE22 GLN A 63 80.254 6.028 10.887 1.00 0.00 H new ATOM 964 N LYS A 64 76.941 -0.653 11.028 1.00 0.00 N ATOM 965 CA LYS A 64 76.211 -1.515 11.967 1.00 0.00 C ATOM 966 C LYS A 64 75.841 -0.762 13.241 1.00 0.00 C ATOM 967 O LYS A 64 76.679 -0.059 13.811 1.00 0.00 O ATOM 968 CB LYS A 64 77.079 -2.709 12.397 1.00 0.00 C ATOM 969 CG LYS A 64 77.529 -3.611 11.217 1.00 0.00 C ATOM 970 CD LYS A 64 76.348 -4.312 10.485 1.00 0.00 C ATOM 971 CE LYS A 64 76.840 -5.620 9.833 1.00 0.00 C ATOM 972 NZ LYS A 64 75.796 -6.146 8.919 1.00 0.00 N ATOM 0 H LYS A 64 77.842 -1.030 10.733 1.00 0.00 H new ATOM 0 HA LYS A 64 75.313 -1.848 11.446 1.00 0.00 H new ATOM 0 HB2 LYS A 64 77.963 -2.336 12.915 1.00 0.00 H new ATOM 0 HB3 LYS A 64 76.521 -3.313 13.112 1.00 0.00 H new ATOM 0 HG2 LYS A 64 78.083 -3.007 10.499 1.00 0.00 H new ATOM 0 HG3 LYS A 64 78.215 -4.370 11.592 1.00 0.00 H new ATOM 0 HD2 LYS A 64 75.546 -4.526 11.192 1.00 0.00 H new ATOM 0 HD3 LYS A 64 75.934 -3.649 9.725 1.00 0.00 H new ATOM 0 HE2 LYS A 64 77.762 -5.438 9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 64 77.069 -6.358 10.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 76.150 -7.000 8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 74.943 -6.383 9.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 75.562 -5.424 8.208 1.00 0.00 H new ATOM 986 N ASP A 65 74.578 -0.945 13.661 1.00 0.00 N ATOM 987 CA ASP A 65 74.029 -0.321 14.879 1.00 0.00 C ATOM 988 C ASP A 65 73.523 -1.392 15.849 1.00 0.00 C ATOM 989 O ASP A 65 72.837 -1.078 16.804 1.00 0.00 O ATOM 990 CB ASP A 65 72.844 0.599 14.534 1.00 0.00 C ATOM 991 CG ASP A 65 72.947 1.130 13.085 1.00 0.00 C ATOM 992 OD1 ASP A 65 73.861 1.910 12.869 1.00 0.00 O ATOM 993 OD2 ASP A 65 72.166 0.742 12.206 1.00 0.00 O ATOM 0 H ASP A 65 73.907 -1.531 13.165 1.00 0.00 H new ATOM 0 HA ASP A 65 74.831 0.257 15.338 1.00 0.00 H new ATOM 0 HB2 ASP A 65 71.909 0.053 14.658 1.00 0.00 H new ATOM 0 HB3 ASP A 65 72.818 1.438 15.230 1.00 0.00 H new ATOM 998 N LEU A 66 73.831 -2.660 15.595 1.00 0.00 N ATOM 999 CA LEU A 66 73.344 -3.770 16.447 1.00 0.00 C ATOM 1000 C LEU A 66 73.726 -3.638 17.947 1.00 0.00 C ATOM 1001 O LEU A 66 73.330 -4.478 18.755 1.00 0.00 O ATOM 1002 CB LEU A 66 73.879 -5.125 15.914 1.00 0.00 C ATOM 1003 CG LEU A 66 73.290 -5.482 14.510 1.00 0.00 C ATOM 1004 CD1 LEU A 66 74.288 -6.346 13.722 1.00 0.00 C ATOM 1005 CD2 LEU A 66 71.989 -6.305 14.634 1.00 0.00 C ATOM 0 H LEU A 66 74.413 -2.957 14.812 1.00 0.00 H new ATOM 0 HA LEU A 66 72.256 -3.723 16.392 1.00 0.00 H new ATOM 0 HB2 LEU A 66 74.966 -5.084 15.850 1.00 0.00 H new ATOM 0 HB3 LEU A 66 73.630 -5.916 16.622 1.00 0.00 H new ATOM 0 HG LEU A 66 73.090 -4.538 14.003 1.00 0.00 H new ATOM 0 HD11 LEU A 66 73.868 -6.589 12.746 1.00 0.00 H new ATOM 0 HD12 LEU A 66 75.220 -5.796 13.589 1.00 0.00 H new ATOM 0 HD13 LEU A 66 74.485 -7.267 14.271 1.00 0.00 H new ATOM 0 HD21 LEU A 66 71.608 -6.535 13.639 1.00 0.00 H new ATOM 0 HD22 LEU A 66 72.195 -7.233 15.167 1.00 0.00 H new ATOM 0 HD23 LEU A 66 71.245 -5.728 15.183 1.00 0.00 H new ATOM 1017 N ALA A 67 74.472 -2.603 18.331 1.00 0.00 N ATOM 1018 CA ALA A 67 74.855 -2.437 19.728 1.00 0.00 C ATOM 1019 C ALA A 67 73.637 -2.179 20.612 1.00 0.00 C ATOM 1020 O ALA A 67 73.556 -2.701 21.725 1.00 0.00 O ATOM 1021 CB ALA A 67 75.838 -1.271 19.860 1.00 0.00 C ATOM 0 H ALA A 67 74.818 -1.878 17.703 1.00 0.00 H new ATOM 0 HA ALA A 67 75.328 -3.361 20.060 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.121 -1.151 20.906 1.00 0.00 H new ATOM 0 HB2 ALA A 67 76.727 -1.476 19.264 1.00 0.00 H new ATOM 0 HB3 ALA A 67 75.366 -0.355 19.504 1.00 0.00 H new ATOM 1027 N ILE A 68 72.710 -1.348 20.130 1.00 0.00 N ATOM 1028 CA ILE A 68 71.518 -1.011 20.917 1.00 0.00 C ATOM 1029 C ILE A 68 70.696 -2.254 21.295 1.00 0.00 C ATOM 1030 O ILE A 68 70.476 -2.496 22.483 1.00 0.00 O ATOM 1031 CB ILE A 68 70.611 0.017 20.182 1.00 0.00 C ATOM 1032 CG1 ILE A 68 70.619 -0.215 18.655 1.00 0.00 C ATOM 1033 CG2 ILE A 68 71.100 1.454 20.432 1.00 0.00 C ATOM 1034 CD1 ILE A 68 69.264 0.107 18.034 1.00 0.00 C ATOM 0 H ILE A 68 72.758 -0.902 19.214 1.00 0.00 H new ATOM 0 HA ILE A 68 71.886 -0.556 21.837 1.00 0.00 H new ATOM 0 HB ILE A 68 69.604 -0.120 20.575 1.00 0.00 H new ATOM 0 HG12 ILE A 68 71.388 0.406 18.196 1.00 0.00 H new ATOM 0 HG13 ILE A 68 70.880 -1.252 18.445 1.00 0.00 H new ATOM 0 HG21 ILE A 68 70.451 2.156 19.908 1.00 0.00 H new ATOM 0 HG22 ILE A 68 71.076 1.666 21.501 1.00 0.00 H new ATOM 0 HG23 ILE A 68 72.121 1.560 20.064 1.00 0.00 H new ATOM 0 HD11 ILE A 68 69.306 -0.067 16.959 1.00 0.00 H new ATOM 0 HD12 ILE A 68 68.500 -0.533 18.476 1.00 0.00 H new ATOM 0 HD13 ILE A 68 69.016 1.152 18.223 1.00 0.00 H new ATOM 1046 N HIS A 69 70.246 -3.033 20.304 1.00 0.00 N ATOM 1047 CA HIS A 69 69.454 -4.237 20.572 1.00 0.00 C ATOM 1048 C HIS A 69 70.199 -5.194 21.504 1.00 0.00 C ATOM 1049 O HIS A 69 69.604 -5.762 22.420 1.00 0.00 O ATOM 1050 CB HIS A 69 69.145 -4.956 19.257 1.00 0.00 C ATOM 1051 CG HIS A 69 68.268 -6.147 19.531 1.00 0.00 C ATOM 1052 ND1 HIS A 69 68.790 -7.379 19.886 1.00 0.00 N ATOM 1053 CD2 HIS A 69 66.902 -6.305 19.508 1.00 0.00 C ATOM 1054 CE1 HIS A 69 67.749 -8.221 20.054 1.00 0.00 C ATOM 1055 NE2 HIS A 69 66.578 -7.614 19.839 1.00 0.00 N ATOM 0 H HIS A 69 70.416 -2.852 19.315 1.00 0.00 H new ATOM 0 HA HIS A 69 68.528 -3.929 21.058 1.00 0.00 H new ATOM 0 HB2 HIS A 69 68.647 -4.275 18.566 1.00 0.00 H new ATOM 0 HB3 HIS A 69 70.071 -5.275 18.778 1.00 0.00 H new ATOM 0 HD2 HIS A 69 66.190 -5.529 19.269 1.00 0.00 H new ATOM 0 HE1 HIS A 69 67.850 -9.260 20.329 1.00 0.00 H new ATOM 0 HE2 HIS A 69 65.646 -8.024 19.904 1.00 0.00 H new ATOM 1063 N HIS A 70 71.501 -5.359 21.273 1.00 0.00 N ATOM 1064 CA HIS A 70 72.315 -6.242 22.110 1.00 0.00 C ATOM 1065 C HIS A 70 72.540 -5.618 23.485 1.00 0.00 C ATOM 1066 O HIS A 70 72.731 -4.408 23.605 1.00 0.00 O ATOM 1067 CB HIS A 70 73.666 -6.500 21.444 1.00 0.00 C ATOM 1068 CG HIS A 70 73.496 -7.501 20.333 1.00 0.00 C ATOM 1069 ND1 HIS A 70 72.925 -7.165 19.115 1.00 0.00 N ATOM 1070 CD2 HIS A 70 73.814 -8.833 20.244 1.00 0.00 C ATOM 1071 CE1 HIS A 70 72.926 -8.273 18.351 1.00 0.00 C ATOM 1072 NE2 HIS A 70 73.456 -9.317 18.993 1.00 0.00 N ATOM 0 H HIS A 70 72.012 -4.898 20.520 1.00 0.00 H new ATOM 0 HA HIS A 70 71.783 -7.186 22.230 1.00 0.00 H new ATOM 0 HB2 HIS A 70 74.072 -5.569 21.050 1.00 0.00 H new ATOM 0 HB3 HIS A 70 74.380 -6.874 22.178 1.00 0.00 H new ATOM 0 HD1 HIS A 70 72.570 -6.247 18.847 1.00 0.00 H new ATOM 0 HD2 HIS A 70 74.273 -9.416 21.028 1.00 0.00 H new ATOM 0 HE1 HIS A 70 72.545 -8.313 17.341 1.00 0.00 H new ATOM 1080 N GLN A 71 72.514 -6.452 24.518 1.00 0.00 N ATOM 1081 CA GLN A 71 72.715 -5.977 25.882 1.00 0.00 C ATOM 1082 C GLN A 71 74.152 -5.499 26.074 1.00 0.00 C ATOM 1083 O GLN A 71 75.093 -6.107 25.562 1.00 0.00 O ATOM 1084 CB GLN A 71 72.417 -7.102 26.886 1.00 0.00 C ATOM 1085 CG GLN A 71 70.902 -7.356 26.995 1.00 0.00 C ATOM 1086 CD GLN A 71 70.257 -6.381 27.980 1.00 0.00 C ATOM 1087 OE1 GLN A 71 70.550 -6.418 29.175 1.00 0.00 O ATOM 1088 NE2 GLN A 71 69.388 -5.510 27.544 1.00 0.00 N ATOM 0 H GLN A 71 72.356 -7.457 24.438 1.00 0.00 H new ATOM 0 HA GLN A 71 72.033 -5.145 26.057 1.00 0.00 H new ATOM 0 HB2 GLN A 71 72.921 -8.016 26.574 1.00 0.00 H new ATOM 0 HB3 GLN A 71 72.816 -6.836 27.865 1.00 0.00 H new ATOM 0 HG2 GLN A 71 70.439 -7.248 26.014 1.00 0.00 H new ATOM 0 HG3 GLN A 71 70.723 -8.381 27.321 1.00 0.00 H new ATOM 0 HE21 GLN A 71 69.147 -5.482 26.553 1.00 0.00 H new ATOM 0 HE22 GLN A 71 68.950 -4.858 28.194 1.00 0.00 H new ATOM 1097 N HIS A 72 74.311 -4.407 26.811 1.00 0.00 N ATOM 1098 CA HIS A 72 75.635 -3.849 27.066 1.00 0.00 C ATOM 1099 C HIS A 72 76.471 -4.806 27.912 1.00 0.00 C ATOM 1100 O HIS A 72 77.682 -4.917 27.720 1.00 0.00 O ATOM 1101 CB HIS A 72 75.506 -2.508 27.789 1.00 0.00 C ATOM 1102 CG HIS A 72 74.966 -1.476 26.840 1.00 0.00 C ATOM 1103 ND1 HIS A 72 73.609 -1.260 26.683 1.00 0.00 N ATOM 1104 CD2 HIS A 72 75.589 -0.591 25.992 1.00 0.00 C ATOM 1105 CE1 HIS A 72 73.461 -0.281 25.769 1.00 0.00 C ATOM 1106 NE2 HIS A 72 74.636 0.159 25.313 1.00 0.00 N ATOM 0 H HIS A 72 73.544 -3.891 27.242 1.00 0.00 H new ATOM 0 HA HIS A 72 76.134 -3.700 26.108 1.00 0.00 H new ATOM 0 HB2 HIS A 72 74.843 -2.609 28.649 1.00 0.00 H new ATOM 0 HB3 HIS A 72 76.478 -2.194 28.170 1.00 0.00 H new ATOM 0 HD2 HIS A 72 76.658 -0.493 25.872 1.00 0.00 H new ATOM 0 HE1 HIS A 72 72.505 0.102 25.444 1.00 0.00 H new ATOM 0 HE2 HIS A 72 74.799 0.887 24.618 1.00 0.00 H new ATOM 1114 N HIS A 73 75.817 -5.482 28.854 1.00 0.00 N ATOM 1115 CA HIS A 73 76.510 -6.419 29.735 1.00 0.00 C ATOM 1116 C HIS A 73 77.170 -7.540 28.934 1.00 0.00 C ATOM 1117 O HIS A 73 78.331 -7.878 29.165 1.00 0.00 O ATOM 1118 CB HIS A 73 75.519 -7.026 30.730 1.00 0.00 C ATOM 1119 CG HIS A 73 75.092 -5.976 31.718 1.00 0.00 C ATOM 1120 ND1 HIS A 73 74.038 -5.108 31.465 1.00 0.00 N ATOM 1121 CD2 HIS A 73 75.554 -5.647 32.964 1.00 0.00 C ATOM 1122 CE1 HIS A 73 73.905 -4.308 32.534 1.00 0.00 C ATOM 1123 NE2 HIS A 73 74.805 -4.595 33.479 1.00 0.00 N ATOM 0 H HIS A 73 74.815 -5.400 29.026 1.00 0.00 H new ATOM 0 HA HIS A 73 77.285 -5.870 30.270 1.00 0.00 H new ATOM 0 HB2 HIS A 73 74.650 -7.417 30.201 1.00 0.00 H new ATOM 0 HB3 HIS A 73 75.979 -7.865 31.252 1.00 0.00 H new ATOM 0 HD2 HIS A 73 76.376 -6.131 33.470 1.00 0.00 H new ATOM 0 HE1 HIS A 73 73.162 -3.529 32.620 1.00 0.00 H new ATOM 0 HE2 HIS A 73 74.918 -4.140 34.385 1.00 0.00 H new ATOM 1131 N HIS A 74 76.426 -8.114 27.993 1.00 0.00 N ATOM 1132 CA HIS A 74 76.957 -9.195 27.170 1.00 0.00 C ATOM 1133 C HIS A 74 78.069 -8.678 26.262 1.00 0.00 C ATOM 1134 O HIS A 74 79.091 -9.338 26.078 1.00 0.00 O ATOM 1135 CB HIS A 74 75.840 -9.804 26.321 1.00 0.00 C ATOM 1136 CG HIS A 74 74.929 -10.615 27.203 1.00 0.00 C ATOM 1137 ND1 HIS A 74 73.969 -10.024 28.011 1.00 0.00 N ATOM 1138 CD2 HIS A 74 74.819 -11.966 27.411 1.00 0.00 C ATOM 1139 CE1 HIS A 74 73.332 -11.012 28.659 1.00 0.00 C ATOM 1140 NE2 HIS A 74 73.806 -12.215 28.332 1.00 0.00 N ATOM 0 H HIS A 74 75.463 -7.852 27.783 1.00 0.00 H new ATOM 0 HA HIS A 74 77.368 -9.961 27.828 1.00 0.00 H new ATOM 0 HB2 HIS A 74 75.275 -9.016 25.823 1.00 0.00 H new ATOM 0 HB3 HIS A 74 76.264 -10.435 25.540 1.00 0.00 H new ATOM 0 HD2 HIS A 74 75.426 -12.721 26.933 1.00 0.00 H new ATOM 0 HE1 HIS A 74 72.529 -10.851 29.363 1.00 0.00 H new ATOM 0 HE2 HIS A 74 73.494 -13.121 28.681 1.00 0.00 H new ATOM 1148 N GLY A 75 77.859 -7.491 25.698 1.00 0.00 N ATOM 1149 CA GLY A 75 78.850 -6.889 24.811 1.00 0.00 C ATOM 1150 C GLY A 75 78.914 -7.630 23.480 1.00 0.00 C ATOM 1151 O GLY A 75 78.081 -8.489 23.195 1.00 0.00 O ATOM 0 H GLY A 75 77.018 -6.931 25.838 1.00 0.00 H new ATOM 0 HA2 GLY A 75 78.599 -5.843 24.637 1.00 0.00 H new ATOM 0 HA3 GLY A 75 79.830 -6.907 25.289 1.00 0.00 H new ATOM 1155 N GLY A 76 79.911 -7.291 22.669 1.00 0.00 N ATOM 1156 CA GLY A 76 80.079 -7.930 21.368 1.00 0.00 C ATOM 1157 C GLY A 76 80.370 -9.418 21.523 1.00 0.00 C ATOM 1158 O GLY A 76 79.906 -10.232 20.725 1.00 0.00 O ATOM 0 H GLY A 76 80.611 -6.582 22.887 1.00 0.00 H new ATOM 0 HA2 GLY A 76 79.177 -7.793 20.772 1.00 0.00 H new ATOM 0 HA3 GLY A 76 80.895 -7.451 20.826 1.00 0.00 H new ATOM 1162 N SER A 77 81.147 -9.757 22.555 1.00 0.00 N ATOM 1163 CA SER A 77 81.512 -11.148 22.823 1.00 0.00 C ATOM 1164 C SER A 77 81.975 -11.311 24.267 1.00 0.00 C ATOM 1165 O SER A 77 82.310 -10.334 24.936 1.00 0.00 O ATOM 1166 CB SER A 77 82.626 -11.591 21.875 1.00 0.00 C ATOM 1167 OG SER A 77 83.705 -10.670 21.957 1.00 0.00 O ATOM 0 H SER A 77 81.535 -9.086 23.218 1.00 0.00 H new ATOM 0 HA SER A 77 80.632 -11.771 22.662 1.00 0.00 H new ATOM 0 HB2 SER A 77 82.967 -12.592 22.138 1.00 0.00 H new ATOM 0 HB3 SER A 77 82.251 -11.640 20.853 1.00 0.00 H new ATOM 0 HG SER A 77 84.422 -10.952 21.352 1.00 0.00 H new ATOM 1173 N MET A 78 81.989 -12.553 24.740 1.00 0.00 N ATOM 1174 CA MET A 78 82.412 -12.838 26.107 1.00 0.00 C ATOM 1175 C MET A 78 83.885 -12.483 26.291 1.00 0.00 C ATOM 1176 O MET A 78 84.279 -11.952 27.331 1.00 0.00 O ATOM 1177 CB MET A 78 82.204 -14.328 26.422 1.00 0.00 C ATOM 1178 CG MET A 78 80.713 -14.631 26.642 1.00 0.00 C ATOM 1179 SD MET A 78 80.450 -16.429 26.626 1.00 0.00 S ATOM 1180 CE MET A 78 80.578 -16.757 28.407 1.00 0.00 C ATOM 0 H MET A 78 81.714 -13.374 24.201 1.00 0.00 H new ATOM 0 HA MET A 78 81.811 -12.235 26.788 1.00 0.00 H new ATOM 0 HB2 MET A 78 82.587 -14.936 25.602 1.00 0.00 H new ATOM 0 HB3 MET A 78 82.771 -14.600 27.312 1.00 0.00 H new ATOM 0 HG2 MET A 78 80.383 -14.213 27.593 1.00 0.00 H new ATOM 0 HG3 MET A 78 80.116 -14.159 25.862 1.00 0.00 H new ATOM 0 HE1 MET A 78 80.441 -17.823 28.591 1.00 0.00 H new ATOM 0 HE2 MET A 78 81.561 -16.450 28.764 1.00 0.00 H new ATOM 0 HE3 MET A 78 79.808 -16.195 28.937 1.00 0.00 H new ATOM 1190 N GLY A 79 84.691 -12.789 25.275 1.00 0.00 N ATOM 1191 CA GLY A 79 86.124 -12.507 25.320 1.00 0.00 C ATOM 1192 C GLY A 79 86.851 -13.510 26.210 1.00 0.00 C ATOM 1193 O GLY A 79 86.239 -14.431 26.751 1.00 0.00 O ATOM 0 H GLY A 79 84.376 -13.232 24.412 1.00 0.00 H new ATOM 0 HA2 GLY A 79 86.537 -12.544 24.312 1.00 0.00 H new ATOM 0 HA3 GLY A 79 86.288 -11.497 25.695 1.00 0.00 H new ATOM 1197 N MET A 80 88.158 -13.325 26.356 1.00 0.00 N ATOM 1198 CA MET A 80 88.962 -14.221 27.179 1.00 0.00 C ATOM 1199 C MET A 80 88.531 -14.135 28.641 1.00 0.00 C ATOM 1200 O MET A 80 88.462 -15.152 29.332 1.00 0.00 O ATOM 1201 CB MET A 80 90.450 -13.850 27.065 1.00 0.00 C ATOM 1202 CG MET A 80 91.033 -14.322 25.720 1.00 0.00 C ATOM 1203 SD MET A 80 91.483 -16.082 25.808 1.00 0.00 S ATOM 1204 CE MET A 80 93.233 -15.906 26.256 1.00 0.00 C ATOM 0 H MET A 80 88.681 -12.567 25.918 1.00 0.00 H new ATOM 0 HA MET A 80 88.812 -15.240 26.822 1.00 0.00 H new ATOM 0 HB2 MET A 80 90.568 -12.770 27.158 1.00 0.00 H new ATOM 0 HB3 MET A 80 91.006 -14.303 27.886 1.00 0.00 H new ATOM 0 HG2 MET A 80 90.304 -14.166 24.925 1.00 0.00 H new ATOM 0 HG3 MET A 80 91.911 -13.728 25.468 1.00 0.00 H new ATOM 0 HE1 MET A 80 93.684 -16.893 26.356 1.00 0.00 H new ATOM 0 HE2 MET A 80 93.753 -15.346 25.479 1.00 0.00 H new ATOM 0 HE3 MET A 80 93.314 -15.372 27.203 1.00 0.00 H new ATOM 1214 N SER A 81 88.250 -12.913 29.097 1.00 0.00 N ATOM 1215 CA SER A 81 87.826 -12.683 30.479 1.00 0.00 C ATOM 1216 C SER A 81 87.125 -11.334 30.607 1.00 0.00 C ATOM 1217 O SER A 81 87.249 -10.475 29.734 1.00 0.00 O ATOM 1218 CB SER A 81 89.039 -12.721 31.410 1.00 0.00 C ATOM 1219 OG SER A 81 90.022 -11.812 30.936 1.00 0.00 O ATOM 0 H SER A 81 88.308 -12.068 28.529 1.00 0.00 H new ATOM 0 HA SER A 81 87.127 -13.470 30.761 1.00 0.00 H new ATOM 0 HB2 SER A 81 88.742 -12.457 32.425 1.00 0.00 H new ATOM 0 HB3 SER A 81 89.449 -13.730 31.451 1.00 0.00 H new ATOM 0 HG SER A 81 90.800 -11.832 31.531 1.00 0.00 H new ATOM 1225 N GLY A 82 86.390 -11.158 31.699 1.00 0.00 N ATOM 1226 CA GLY A 82 85.672 -9.911 31.934 1.00 0.00 C ATOM 1227 C GLY A 82 86.638 -8.771 32.238 1.00 0.00 C ATOM 1228 O GLY A 82 87.768 -9.003 32.669 1.00 0.00 O ATOM 0 H GLY A 82 86.276 -11.858 32.432 1.00 0.00 H new ATOM 0 HA2 GLY A 82 85.074 -9.661 31.058 1.00 0.00 H new ATOM 0 HA3 GLY A 82 84.980 -10.037 32.767 1.00 0.00 H new ATOM 1232 N SER A 83 86.179 -7.541 32.013 1.00 0.00 N ATOM 1233 CA SER A 83 87.003 -6.360 32.265 1.00 0.00 C ATOM 1234 C SER A 83 87.134 -6.105 33.763 1.00 0.00 C ATOM 1235 O SER A 83 86.349 -6.619 34.561 1.00 0.00 O ATOM 1236 CB SER A 83 86.372 -5.138 31.595 1.00 0.00 C ATOM 1237 OG SER A 83 85.155 -4.817 32.254 1.00 0.00 O ATOM 0 H SER A 83 85.245 -7.337 31.658 1.00 0.00 H new ATOM 0 HA SER A 83 87.996 -6.536 31.850 1.00 0.00 H new ATOM 0 HB2 SER A 83 87.057 -4.291 31.638 1.00 0.00 H new ATOM 0 HB3 SER A 83 86.185 -5.343 30.541 1.00 0.00 H new ATOM 0 HG SER A 83 84.749 -4.033 31.828 1.00 0.00 H new ATOM 1243 N GLY A 84 88.129 -5.308 34.139 1.00 0.00 N ATOM 1244 CA GLY A 84 88.354 -4.993 35.546 1.00 0.00 C ATOM 1245 C GLY A 84 87.231 -4.120 36.096 1.00 0.00 C ATOM 1246 O GLY A 84 86.557 -3.413 35.344 1.00 0.00 O ATOM 0 H GLY A 84 88.788 -4.871 33.495 1.00 0.00 H new ATOM 0 HA2 GLY A 84 88.419 -5.915 36.123 1.00 0.00 H new ATOM 0 HA3 GLY A 84 89.308 -4.479 35.659 1.00 0.00 H new ATOM 1250 N THR A 85 87.042 -4.177 37.415 1.00 0.00 N ATOM 1251 CA THR A 85 85.998 -3.394 38.078 1.00 0.00 C ATOM 1252 C THR A 85 86.417 -1.930 38.185 1.00 0.00 C ATOM 1253 O THR A 85 87.591 -1.595 38.012 1.00 0.00 O ATOM 1254 CB THR A 85 85.738 -3.954 39.483 1.00 0.00 C ATOM 1255 OG1 THR A 85 86.979 -4.193 40.131 1.00 0.00 O ATOM 1256 CG2 THR A 85 84.942 -5.263 39.396 1.00 0.00 C ATOM 0 H THR A 85 87.597 -4.756 38.045 1.00 0.00 H new ATOM 0 HA THR A 85 85.086 -3.460 37.484 1.00 0.00 H new ATOM 0 HB THR A 85 85.158 -3.228 40.053 1.00 0.00 H new ATOM 0 HG1 THR A 85 86.816 -4.549 41.029 1.00 0.00 H new ATOM 0 HG21 THR A 85 84.765 -5.649 40.400 1.00 0.00 H new ATOM 0 HG22 THR A 85 83.987 -5.076 38.905 1.00 0.00 H new ATOM 0 HG23 THR A 85 85.508 -5.995 38.821 1.00 0.00 H new ATOM 1264 N GLY A 86 85.453 -1.060 38.472 1.00 0.00 N ATOM 1265 CA GLY A 86 85.734 0.365 38.602 1.00 0.00 C ATOM 1266 C GLY A 86 86.675 0.633 39.770 1.00 0.00 C ATOM 1267 O GLY A 86 87.574 1.469 39.676 1.00 0.00 O ATOM 0 H GLY A 86 84.476 -1.315 38.618 1.00 0.00 H new ATOM 0 HA2 GLY A 86 86.179 0.737 37.679 1.00 0.00 H new ATOM 0 HA3 GLY A 86 84.802 0.911 38.749 1.00 0.00 H new ATOM 1271 N TYR A 87 86.462 -0.081 40.871 1.00 0.00 N ATOM 1272 CA TYR A 87 87.301 0.088 42.051 1.00 0.00 C ATOM 1273 C TYR A 87 88.734 -0.341 41.756 1.00 0.00 C ATOM 1274 O TYR A 87 88.918 -1.126 40.841 1.00 0.00 O ATOM 1275 CB TYR A 87 86.747 -0.741 43.210 1.00 0.00 C ATOM 1276 CG TYR A 87 85.361 -0.211 43.598 1.00 0.00 C ATOM 1277 CD1 TYR A 87 85.261 0.903 44.443 1.00 0.00 C ATOM 1278 CD2 TYR A 87 84.199 -0.826 43.115 1.00 0.00 C ATOM 1279 CE1 TYR A 87 84.001 1.396 44.806 1.00 0.00 C ATOM 1280 CE2 TYR A 87 82.939 -0.330 43.476 1.00 0.00 C ATOM 1281 CZ TYR A 87 82.843 0.778 44.325 1.00 0.00 C ATOM 1282 OH TYR A 87 81.605 1.265 44.684 1.00 0.00 O ATOM 1283 OXT TYR A 87 89.625 0.122 42.448 1.00 0.00 O ATOM 0 H TYR A 87 85.722 -0.776 40.970 1.00 0.00 H new ATOM 0 HA TYR A 87 87.299 1.143 42.326 1.00 0.00 H new ATOM 0 HB2 TYR A 87 86.680 -1.790 42.922 1.00 0.00 H new ATOM 0 HB3 TYR A 87 87.421 -0.688 44.065 1.00 0.00 H new ATOM 0 HD1 TYR A 87 86.155 1.381 44.814 1.00 0.00 H new ATOM 0 HD2 TYR A 87 84.274 -1.684 42.463 1.00 0.00 H new ATOM 0 HE1 TYR A 87 83.924 2.254 45.458 1.00 0.00 H new ATOM 0 HE2 TYR A 87 82.044 -0.802 43.100 1.00 0.00 H new ATOM 0 HH TYR A 87 80.906 0.723 44.263 1.00 0.00 H new TER 1293 TYR A 87 HETATM 1294 ZN ZN A 101 70.727 -0.532 12.802 1.00 0.00 ZN HETATM 1295 ZN ZN A 102 61.398 7.392 14.730 1.00 0.00 ZN