USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 493 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 HD1 : A 28 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 49 ASN : amide:sc= -2.22! C(o=-13!,f=-19!) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -8.14! C(o=-13!,f=-13!) USER MOD Set 1.3: A 60 ASN : amide:sc= -1.45! C(o=-13!,f=-22!) USER MOD Set 1.4: A 63 LYS NZ :NH3+ 144:sc= -0.956 (180deg=-3.76!) USER MOD Set 2.1: A 23 MET CE :methyl -151:sc= -0.304 (180deg=-0.481) USER MOD Set 2.2: A 53 HIS : no HD1:sc= -1.66 K(o=-2,f=-3.1) USER MOD Single : A 1 GLY N :NH3+ 147:sc= 0.00515 (180deg=0) USER MOD Single : A 2 SER OG : rot -48:sc= 0.713 USER MOD Single : A 3 SER OG : rot 12:sc= 0.982 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.0177 X(o=-0.018,f=-0.11) USER MOD Single : A 10 GLN : amide:sc= 0.034 X(o=0.034,f=-0.37) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -5.68! C(o=-5.7!,f=-5.5!) USER MOD Single : A 25 ASN : amide:sc= -3.65! C(o=-3.7!,f=-3.7!) USER MOD Single : A 26 SER OG : rot 49:sc= -0.158 USER MOD Single : A 38 GLN : amide:sc=-0.00212 X(o=-0.0021,f=-0.14) USER MOD Single : A 48 LYS NZ :NH3+ -156:sc= -0.137 (180deg=-0.552) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.201 -4.230 7.467 1.00 0.00 N ATOM 2 CA GLY A 1 -24.265 -3.166 7.781 1.00 0.00 C ATOM 3 C GLY A 1 -22.950 -3.313 7.042 1.00 0.00 C ATOM 4 O GLY A 1 -22.424 -4.419 6.911 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.783 -4.439 8.303 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.816 -3.931 6.683 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.676 -5.084 7.189 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.714 -2.205 7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.076 -3.158 8.854 1.00 0.00 H new ATOM 8 N SER A 2 -22.417 -2.196 6.557 1.00 0.00 N ATOM 9 CA SER A 2 -21.157 -2.207 5.823 1.00 0.00 C ATOM 10 C SER A 2 -21.249 -3.113 4.599 1.00 0.00 C ATOM 11 O SER A 2 -20.324 -3.868 4.301 1.00 0.00 O ATOM 12 CB SER A 2 -20.017 -2.672 6.731 1.00 0.00 C ATOM 13 OG SER A 2 -18.771 -2.611 6.058 1.00 0.00 O ATOM 0 H SER A 2 -22.838 -1.272 6.659 1.00 0.00 H new ATOM 0 HA SER A 2 -20.952 -1.191 5.487 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.982 -2.048 7.624 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.205 -3.693 7.062 1.00 0.00 H new ATOM 0 HG SER A 2 -18.853 -3.036 5.179 1.00 0.00 H new ATOM 19 N SER A 3 -22.373 -3.032 3.894 1.00 0.00 N ATOM 20 CA SER A 3 -22.589 -3.847 2.704 1.00 0.00 C ATOM 21 C SER A 3 -22.306 -3.045 1.437 1.00 0.00 C ATOM 22 O SER A 3 -23.037 -2.113 1.103 1.00 0.00 O ATOM 23 CB SER A 3 -24.024 -4.376 2.676 1.00 0.00 C ATOM 24 OG SER A 3 -24.947 -3.334 2.408 1.00 0.00 O ATOM 0 H SER A 3 -23.148 -2.411 4.126 1.00 0.00 H new ATOM 0 HA SER A 3 -21.899 -4.690 2.741 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.114 -5.151 1.915 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.263 -4.840 3.633 1.00 0.00 H new ATOM 0 HG SER A 3 -24.462 -2.535 2.112 1.00 0.00 H new ATOM 30 N GLY A 4 -21.239 -3.414 0.736 1.00 0.00 N ATOM 31 CA GLY A 4 -20.877 -2.719 -0.485 1.00 0.00 C ATOM 32 C GLY A 4 -20.064 -3.586 -1.426 1.00 0.00 C ATOM 33 O GLY A 4 -19.105 -4.236 -1.009 1.00 0.00 O ATOM 0 H GLY A 4 -20.619 -4.182 0.992 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.783 -2.387 -0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.306 -1.825 -0.235 1.00 0.00 H new ATOM 37 N SER A 5 -20.447 -3.598 -2.699 1.00 0.00 N ATOM 38 CA SER A 5 -19.750 -4.396 -3.700 1.00 0.00 C ATOM 39 C SER A 5 -18.408 -3.765 -4.059 1.00 0.00 C ATOM 40 O SER A 5 -17.392 -4.453 -4.152 1.00 0.00 O ATOM 41 CB SER A 5 -20.611 -4.541 -4.957 1.00 0.00 C ATOM 42 OG SER A 5 -19.963 -5.343 -5.929 1.00 0.00 O ATOM 0 H SER A 5 -21.237 -3.064 -3.061 1.00 0.00 H new ATOM 0 HA SER A 5 -19.566 -5.384 -3.278 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.571 -4.986 -4.695 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.820 -3.556 -5.374 1.00 0.00 H new ATOM 0 HG SER A 5 -20.534 -5.422 -6.722 1.00 0.00 H new ATOM 48 N SER A 6 -18.414 -2.451 -4.260 1.00 0.00 N ATOM 49 CA SER A 6 -17.198 -1.727 -4.613 1.00 0.00 C ATOM 50 C SER A 6 -16.793 -0.770 -3.496 1.00 0.00 C ATOM 51 O SER A 6 -16.238 0.299 -3.750 1.00 0.00 O ATOM 52 CB SER A 6 -17.401 -0.952 -5.916 1.00 0.00 C ATOM 53 OG SER A 6 -17.045 -1.739 -7.039 1.00 0.00 O ATOM 0 H SER A 6 -19.246 -1.866 -4.185 1.00 0.00 H new ATOM 0 HA SER A 6 -16.398 -2.454 -4.753 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.443 -0.643 -6.000 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.799 -0.043 -5.900 1.00 0.00 H new ATOM 0 HG SER A 6 -17.186 -1.221 -7.859 1.00 0.00 H new ATOM 59 N GLY A 7 -17.074 -1.163 -2.258 1.00 0.00 N ATOM 60 CA GLY A 7 -16.733 -0.329 -1.120 1.00 0.00 C ATOM 61 C GLY A 7 -15.278 -0.467 -0.716 1.00 0.00 C ATOM 62 O GLY A 7 -14.662 -1.510 -0.934 1.00 0.00 O ATOM 0 H GLY A 7 -17.532 -2.044 -2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.943 0.713 -1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.368 -0.595 -0.275 1.00 0.00 H new ATOM 66 N CYS A 8 -14.727 0.588 -0.126 1.00 0.00 N ATOM 67 CA CYS A 8 -13.335 0.582 0.308 1.00 0.00 C ATOM 68 C CYS A 8 -13.125 -0.409 1.448 1.00 0.00 C ATOM 69 O CYS A 8 -13.999 -0.591 2.297 1.00 0.00 O ATOM 70 CB CYS A 8 -12.911 1.984 0.752 1.00 0.00 C ATOM 71 SG CYS A 8 -11.360 2.025 1.705 1.00 0.00 S ATOM 0 H CYS A 8 -15.223 1.459 0.063 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.719 0.273 -0.537 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.800 2.615 -0.130 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -13.708 2.419 1.356 1.00 0.00 H new ATOM 76 N HIS A 9 -11.960 -1.049 1.462 1.00 0.00 N ATOM 77 CA HIS A 9 -11.634 -2.022 2.498 1.00 0.00 C ATOM 78 C HIS A 9 -10.887 -1.358 3.651 1.00 0.00 C ATOM 79 O HIS A 9 -11.119 -1.677 4.817 1.00 0.00 O ATOM 80 CB HIS A 9 -10.791 -3.157 1.915 1.00 0.00 C ATOM 81 CG HIS A 9 -10.795 -4.398 2.754 1.00 0.00 C ATOM 82 ND1 HIS A 9 -11.952 -5.007 3.191 1.00 0.00 N ATOM 83 CD2 HIS A 9 -9.774 -5.145 3.234 1.00 0.00 C ATOM 84 CE1 HIS A 9 -11.643 -6.074 3.906 1.00 0.00 C ATOM 85 NE2 HIS A 9 -10.327 -6.181 3.946 1.00 0.00 N ATOM 0 H HIS A 9 -11.226 -0.911 0.767 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.567 -2.434 2.882 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -11.163 -3.400 0.920 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -9.764 -2.812 1.796 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -8.720 -4.961 3.085 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -12.346 -6.744 4.377 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -9.806 -6.914 4.427 1.00 0.00 H new ATOM 94 N GLN A 10 -9.991 -0.436 3.316 1.00 0.00 N ATOM 95 CA GLN A 10 -9.209 0.271 4.324 1.00 0.00 C ATOM 96 C GLN A 10 -10.100 0.753 5.464 1.00 0.00 C ATOM 97 O GLN A 10 -10.007 0.262 6.590 1.00 0.00 O ATOM 98 CB GLN A 10 -8.480 1.458 3.694 1.00 0.00 C ATOM 99 CG GLN A 10 -7.741 2.323 4.702 1.00 0.00 C ATOM 100 CD GLN A 10 -6.474 1.668 5.216 1.00 0.00 C ATOM 101 OE1 GLN A 10 -6.526 0.708 5.985 1.00 0.00 O ATOM 102 NE2 GLN A 10 -5.327 2.185 4.793 1.00 0.00 N ATOM 0 H GLN A 10 -9.788 -0.161 2.355 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.474 -0.423 4.730 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.769 1.087 2.956 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.202 2.075 3.159 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.490 3.278 4.240 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.401 2.539 5.543 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.331 2.981 4.156 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.442 1.786 5.105 1.00 0.00 H new ATOM 111 N CYS A 11 -10.964 1.717 5.166 1.00 0.00 N ATOM 112 CA CYS A 11 -11.872 2.268 6.165 1.00 0.00 C ATOM 113 C CYS A 11 -13.200 1.515 6.167 1.00 0.00 C ATOM 114 O CYS A 11 -13.738 1.187 7.224 1.00 0.00 O ATOM 115 CB CYS A 11 -12.117 3.754 5.899 1.00 0.00 C ATOM 116 SG CYS A 11 -12.894 4.103 4.289 1.00 0.00 S ATOM 0 H CYS A 11 -11.055 2.133 4.239 1.00 0.00 H new ATOM 0 HA CYS A 11 -11.407 2.153 7.144 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -12.751 4.154 6.690 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -11.166 4.284 5.954 1.00 0.00 H new ATOM 121 N GLY A 12 -13.722 1.243 4.975 1.00 0.00 N ATOM 122 CA GLY A 12 -14.981 0.531 4.861 1.00 0.00 C ATOM 123 C GLY A 12 -16.042 1.341 4.141 1.00 0.00 C ATOM 124 O GLY A 12 -16.838 0.793 3.379 1.00 0.00 O ATOM 0 H GLY A 12 -13.295 1.503 4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.818 -0.405 4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.340 0.272 5.857 1.00 0.00 H new ATOM 128 N GLU A 13 -16.053 2.648 4.385 1.00 0.00 N ATOM 129 CA GLU A 13 -17.027 3.532 3.755 1.00 0.00 C ATOM 130 C GLU A 13 -17.143 3.239 2.262 1.00 0.00 C ATOM 131 O GLU A 13 -16.186 2.792 1.630 1.00 0.00 O ATOM 132 CB GLU A 13 -16.632 4.995 3.969 1.00 0.00 C ATOM 133 CG GLU A 13 -16.479 5.376 5.432 1.00 0.00 C ATOM 134 CD GLU A 13 -17.812 5.529 6.139 1.00 0.00 C ATOM 135 OE1 GLU A 13 -18.398 4.498 6.530 1.00 0.00 O ATOM 136 OE2 GLU A 13 -18.268 6.680 6.301 1.00 0.00 O ATOM 0 H GLU A 13 -15.400 3.117 5.013 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.997 3.352 4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.692 5.188 3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.385 5.637 3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.887 4.615 5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.925 6.312 5.504 1.00 0.00 H new ATOM 143 N PHE A 14 -18.322 3.493 1.705 1.00 0.00 N ATOM 144 CA PHE A 14 -18.566 3.256 0.287 1.00 0.00 C ATOM 145 C PHE A 14 -17.854 4.299 -0.569 1.00 0.00 C ATOM 146 O PHE A 14 -17.844 5.485 -0.240 1.00 0.00 O ATOM 147 CB PHE A 14 -20.067 3.278 -0.005 1.00 0.00 C ATOM 148 CG PHE A 14 -20.434 2.623 -1.306 1.00 0.00 C ATOM 149 CD1 PHE A 14 -20.155 1.283 -1.526 1.00 0.00 C ATOM 150 CD2 PHE A 14 -21.059 3.346 -2.309 1.00 0.00 C ATOM 151 CE1 PHE A 14 -20.491 0.679 -2.722 1.00 0.00 C ATOM 152 CE2 PHE A 14 -21.398 2.747 -3.507 1.00 0.00 C ATOM 153 CZ PHE A 14 -21.114 1.411 -3.714 1.00 0.00 C ATOM 0 H PHE A 14 -19.124 3.863 2.214 1.00 0.00 H new ATOM 0 HA PHE A 14 -18.169 2.273 0.035 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.594 2.777 0.807 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.411 4.312 -0.018 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -19.670 0.705 -0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -21.284 4.391 -2.153 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -20.267 -0.365 -2.881 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -21.884 3.323 -4.281 1.00 0.00 H new ATOM 0 HZ PHE A 14 -21.378 0.940 -4.649 1.00 0.00 H new ATOM 163 N ILE A 15 -17.259 3.848 -1.668 1.00 0.00 N ATOM 164 CA ILE A 15 -16.546 4.741 -2.572 1.00 0.00 C ATOM 165 C ILE A 15 -17.486 5.331 -3.618 1.00 0.00 C ATOM 166 O ILE A 15 -18.249 4.608 -4.259 1.00 0.00 O ATOM 167 CB ILE A 15 -15.391 4.015 -3.287 1.00 0.00 C ATOM 168 CG1 ILE A 15 -14.537 3.249 -2.275 1.00 0.00 C ATOM 169 CG2 ILE A 15 -14.539 5.008 -4.063 1.00 0.00 C ATOM 170 CD1 ILE A 15 -13.688 2.164 -2.899 1.00 0.00 C ATOM 0 H ILE A 15 -17.257 2.869 -1.954 1.00 0.00 H new ATOM 0 HA ILE A 15 -16.136 5.545 -1.961 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.814 3.300 -3.993 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.888 3.952 -1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -15.190 2.802 -1.525 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.727 4.479 -4.562 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -15.155 5.513 -4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.123 5.745 -3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.109 1.663 -2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -14.332 1.439 -3.396 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.010 2.607 -3.628 1.00 0.00 H new ATOM 182 N ILE A 16 -17.424 6.647 -3.786 1.00 0.00 N ATOM 183 CA ILE A 16 -18.268 7.334 -4.756 1.00 0.00 C ATOM 184 C ILE A 16 -17.443 8.259 -5.645 1.00 0.00 C ATOM 185 O ILE A 16 -16.831 9.213 -5.166 1.00 0.00 O ATOM 186 CB ILE A 16 -19.370 8.155 -4.062 1.00 0.00 C ATOM 187 CG1 ILE A 16 -20.054 7.319 -2.979 1.00 0.00 C ATOM 188 CG2 ILE A 16 -20.388 8.644 -5.082 1.00 0.00 C ATOM 189 CD1 ILE A 16 -20.908 8.135 -2.034 1.00 0.00 C ATOM 0 H ILE A 16 -16.798 7.259 -3.263 1.00 0.00 H new ATOM 0 HA ILE A 16 -18.734 6.564 -5.371 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.912 9.024 -3.589 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -20.676 6.561 -3.455 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -19.293 6.791 -2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -21.161 9.223 -4.576 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -19.890 9.272 -5.821 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -20.843 7.788 -5.580 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -21.362 7.477 -1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -20.287 8.875 -1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -21.692 8.642 -2.597 1.00 0.00 H new ATOM 201 N GLY A 17 -17.433 7.971 -6.943 1.00 0.00 N ATOM 202 CA GLY A 17 -16.682 8.787 -7.878 1.00 0.00 C ATOM 203 C GLY A 17 -15.451 8.079 -8.408 1.00 0.00 C ATOM 204 O GLY A 17 -15.429 7.632 -9.555 1.00 0.00 O ATOM 0 H GLY A 17 -17.932 7.187 -7.363 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.326 9.063 -8.713 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -16.382 9.713 -7.387 1.00 0.00 H new ATOM 208 N ARG A 18 -14.424 7.976 -7.571 1.00 0.00 N ATOM 209 CA ARG A 18 -13.182 7.320 -7.963 1.00 0.00 C ATOM 210 C ARG A 18 -12.929 6.082 -7.107 1.00 0.00 C ATOM 211 O ARG A 18 -12.871 6.164 -5.880 1.00 0.00 O ATOM 212 CB ARG A 18 -12.006 8.290 -7.838 1.00 0.00 C ATOM 213 CG ARG A 18 -10.649 7.604 -7.835 1.00 0.00 C ATOM 214 CD ARG A 18 -9.567 8.508 -8.404 1.00 0.00 C ATOM 215 NE ARG A 18 -8.506 7.747 -9.058 1.00 0.00 N ATOM 216 CZ ARG A 18 -7.391 8.296 -9.528 1.00 0.00 C ATOM 217 NH1 ARG A 18 -7.193 9.602 -9.417 1.00 0.00 N ATOM 218 NH2 ARG A 18 -6.471 7.537 -10.111 1.00 0.00 N ATOM 0 H ARG A 18 -14.427 8.338 -6.617 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.277 7.009 -9.003 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.043 9.001 -8.664 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.116 8.864 -6.918 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.387 7.318 -6.816 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.703 6.686 -8.420 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.012 9.199 -9.120 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.140 9.111 -7.603 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.627 6.739 -9.160 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.898 10.188 -8.970 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.336 10.020 -9.779 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.620 6.532 -10.198 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.615 7.959 -10.472 1.00 0.00 H new ATOM 232 N VAL A 19 -12.778 4.936 -7.764 1.00 0.00 N ATOM 233 CA VAL A 19 -12.530 3.681 -7.064 1.00 0.00 C ATOM 234 C VAL A 19 -11.163 3.112 -7.424 1.00 0.00 C ATOM 235 O VAL A 19 -10.885 2.827 -8.590 1.00 0.00 O ATOM 236 CB VAL A 19 -13.612 2.634 -7.389 1.00 0.00 C ATOM 237 CG1 VAL A 19 -13.092 1.229 -7.123 1.00 0.00 C ATOM 238 CG2 VAL A 19 -14.874 2.905 -6.584 1.00 0.00 C ATOM 0 H VAL A 19 -12.823 4.851 -8.779 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.558 3.903 -5.997 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.860 2.710 -8.448 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.870 0.503 -7.358 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.218 1.040 -7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.815 1.136 -6.073 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -15.628 2.156 -6.826 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -14.644 2.857 -5.520 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -15.256 3.896 -6.829 1.00 0.00 H new ATOM 248 N ILE A 20 -10.312 2.949 -6.417 1.00 0.00 N ATOM 249 CA ILE A 20 -8.973 2.412 -6.628 1.00 0.00 C ATOM 250 C ILE A 20 -8.955 0.897 -6.456 1.00 0.00 C ATOM 251 O ILE A 20 -8.983 0.387 -5.335 1.00 0.00 O ATOM 252 CB ILE A 20 -7.955 3.039 -5.657 1.00 0.00 C ATOM 253 CG1 ILE A 20 -8.142 4.557 -5.600 1.00 0.00 C ATOM 254 CG2 ILE A 20 -6.536 2.690 -6.079 1.00 0.00 C ATOM 255 CD1 ILE A 20 -7.870 5.249 -6.917 1.00 0.00 C ATOM 0 H ILE A 20 -10.526 3.181 -5.447 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.690 2.663 -7.650 1.00 0.00 H new ATOM 0 HB ILE A 20 -8.126 2.632 -4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.162 4.778 -5.287 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.479 4.968 -4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.828 3.140 -5.383 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.411 1.607 -6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.351 3.072 -7.083 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.022 6.322 -6.802 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.841 5.059 -7.222 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.551 4.865 -7.677 1.00 0.00 H new ATOM 267 N LYS A 21 -8.907 0.180 -7.574 1.00 0.00 N ATOM 268 CA LYS A 21 -8.882 -1.277 -7.548 1.00 0.00 C ATOM 269 C LYS A 21 -7.492 -1.791 -7.189 1.00 0.00 C ATOM 270 O LYS A 21 -6.540 -1.620 -7.950 1.00 0.00 O ATOM 271 CB LYS A 21 -9.309 -1.839 -8.907 1.00 0.00 C ATOM 272 CG LYS A 21 -10.809 -1.789 -9.141 1.00 0.00 C ATOM 273 CD LYS A 21 -11.490 -3.063 -8.667 1.00 0.00 C ATOM 274 CE LYS A 21 -12.923 -2.799 -8.231 1.00 0.00 C ATOM 275 NZ LYS A 21 -13.571 -4.025 -7.687 1.00 0.00 N ATOM 0 H LYS A 21 -8.885 0.585 -8.510 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.583 -1.614 -6.785 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.808 -1.279 -9.696 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.972 -2.872 -8.986 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.232 -0.932 -8.616 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.008 -1.642 -10.203 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.483 -3.801 -9.469 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.928 -3.490 -7.836 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.934 -2.016 -7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.499 -2.430 -9.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.546 -3.804 -7.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.584 -4.765 -8.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.036 -4.363 -6.862 1.00 0.00 H new ATOM 289 N ALA A 22 -7.383 -2.424 -6.025 1.00 0.00 N ATOM 290 CA ALA A 22 -6.110 -2.966 -5.566 1.00 0.00 C ATOM 291 C ALA A 22 -6.322 -4.172 -4.658 1.00 0.00 C ATOM 292 O ALA A 22 -7.407 -4.365 -4.110 1.00 0.00 O ATOM 293 CB ALA A 22 -5.309 -1.893 -4.844 1.00 0.00 C ATOM 0 H ALA A 22 -8.161 -2.574 -5.383 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.548 -3.297 -6.440 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.361 -2.312 -4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.118 -1.063 -5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.874 -1.535 -3.983 1.00 0.00 H new ATOM 299 N MET A 23 -5.279 -4.981 -4.503 1.00 0.00 N ATOM 300 CA MET A 23 -5.353 -6.169 -3.660 1.00 0.00 C ATOM 301 C MET A 23 -6.692 -6.878 -3.834 1.00 0.00 C ATOM 302 O MET A 23 -7.329 -7.270 -2.858 1.00 0.00 O ATOM 303 CB MET A 23 -5.150 -5.791 -2.191 1.00 0.00 C ATOM 304 CG MET A 23 -3.840 -5.067 -1.925 1.00 0.00 C ATOM 305 SD MET A 23 -2.399 -6.045 -2.393 1.00 0.00 S ATOM 306 CE MET A 23 -1.634 -6.307 -0.795 1.00 0.00 C ATOM 0 H MET A 23 -4.373 -4.836 -4.950 1.00 0.00 H new ATOM 0 HA MET A 23 -4.559 -6.851 -3.966 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.977 -5.158 -1.870 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.186 -6.695 -1.583 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.831 -4.127 -2.476 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.776 -4.817 -0.866 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.556 -6.413 -0.920 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.842 -5.455 -0.148 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.038 -7.213 -0.343 1.00 0.00 H new ATOM 316 N ASN A 24 -7.113 -7.038 -5.085 1.00 0.00 N ATOM 317 CA ASN A 24 -8.377 -7.699 -5.387 1.00 0.00 C ATOM 318 C ASN A 24 -9.514 -7.102 -4.562 1.00 0.00 C ATOM 319 O ASN A 24 -10.331 -7.827 -3.997 1.00 0.00 O ATOM 320 CB ASN A 24 -8.270 -9.201 -5.114 1.00 0.00 C ATOM 321 CG ASN A 24 -7.269 -9.519 -4.020 1.00 0.00 C ATOM 322 OD1 ASN A 24 -7.642 -9.744 -2.868 1.00 0.00 O ATOM 323 ND2 ASN A 24 -5.990 -9.540 -4.376 1.00 0.00 N ATOM 0 H ASN A 24 -6.597 -6.719 -5.905 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.596 -7.543 -6.443 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.249 -9.587 -4.830 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.978 -9.714 -6.030 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.271 -9.749 -3.683 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.726 -9.347 -5.342 1.00 0.00 H new ATOM 330 N ASN A 25 -9.559 -5.775 -4.501 1.00 0.00 N ATOM 331 CA ASN A 25 -10.595 -5.079 -3.746 1.00 0.00 C ATOM 332 C ASN A 25 -10.585 -3.586 -4.058 1.00 0.00 C ATOM 333 O ASN A 25 -9.585 -3.047 -4.533 1.00 0.00 O ATOM 334 CB ASN A 25 -10.397 -5.300 -2.245 1.00 0.00 C ATOM 335 CG ASN A 25 -10.845 -6.679 -1.799 1.00 0.00 C ATOM 336 OD1 ASN A 25 -12.041 -6.965 -1.737 1.00 0.00 O ATOM 337 ND2 ASN A 25 -9.884 -7.540 -1.487 1.00 0.00 N ATOM 0 H ASN A 25 -8.890 -5.160 -4.965 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.562 -5.487 -4.042 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.344 -5.165 -1.996 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.954 -4.544 -1.693 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.124 -8.483 -1.181 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.906 -7.259 -1.553 1.00 0.00 H new ATOM 344 N SER A 26 -11.704 -2.923 -3.786 1.00 0.00 N ATOM 345 CA SER A 26 -11.826 -1.492 -4.040 1.00 0.00 C ATOM 346 C SER A 26 -11.332 -0.684 -2.844 1.00 0.00 C ATOM 347 O SER A 26 -11.450 -1.117 -1.697 1.00 0.00 O ATOM 348 CB SER A 26 -13.280 -1.129 -4.349 1.00 0.00 C ATOM 349 OG SER A 26 -14.156 -1.651 -3.366 1.00 0.00 O ATOM 0 H SER A 26 -12.539 -3.354 -3.390 1.00 0.00 H new ATOM 0 HA SER A 26 -11.207 -1.247 -4.903 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.385 -0.045 -4.396 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.555 -1.519 -5.329 1.00 0.00 H new ATOM 0 HG SER A 26 -13.817 -1.428 -2.474 1.00 0.00 H new ATOM 355 N TRP A 27 -10.779 0.491 -3.120 1.00 0.00 N ATOM 356 CA TRP A 27 -10.266 1.361 -2.067 1.00 0.00 C ATOM 357 C TRP A 27 -10.388 2.828 -2.465 1.00 0.00 C ATOM 358 O TRP A 27 -10.757 3.145 -3.596 1.00 0.00 O ATOM 359 CB TRP A 27 -8.806 1.022 -1.763 1.00 0.00 C ATOM 360 CG TRP A 27 -8.534 -0.452 -1.726 1.00 0.00 C ATOM 361 CD1 TRP A 27 -8.719 -1.345 -2.743 1.00 0.00 C ATOM 362 CD2 TRP A 27 -8.029 -1.203 -0.617 1.00 0.00 C ATOM 363 NE1 TRP A 27 -8.360 -2.606 -2.332 1.00 0.00 N ATOM 364 CE2 TRP A 27 -7.932 -2.545 -1.032 1.00 0.00 C ATOM 365 CE3 TRP A 27 -7.647 -0.872 0.686 1.00 0.00 C ATOM 366 CZ2 TRP A 27 -7.471 -3.553 -0.190 1.00 0.00 C ATOM 367 CZ3 TRP A 27 -7.189 -1.873 1.520 1.00 0.00 C ATOM 368 CH2 TRP A 27 -7.104 -3.201 1.080 1.00 0.00 C ATOM 0 H TRP A 27 -10.674 0.864 -4.064 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.864 1.196 -1.171 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.169 1.483 -2.518 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.531 1.459 -0.803 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -9.092 -1.096 -3.725 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.405 -3.451 -2.902 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -7.709 0.148 1.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.405 -4.577 -0.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -6.891 -1.628 2.529 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.742 -3.961 1.757 1.00 0.00 H new ATOM 379 N HIS A 28 -10.075 3.718 -1.529 1.00 0.00 N ATOM 380 CA HIS A 28 -10.149 5.153 -1.784 1.00 0.00 C ATOM 381 C HIS A 28 -8.814 5.682 -2.299 1.00 0.00 C ATOM 382 O HIS A 28 -7.758 5.085 -2.089 1.00 0.00 O ATOM 383 CB HIS A 28 -10.549 5.898 -0.511 1.00 0.00 C ATOM 384 CG HIS A 28 -12.004 5.777 -0.178 1.00 0.00 C ATOM 385 ND1 HIS A 28 -12.463 5.272 1.021 1.00 0.00 N ATOM 386 CD2 HIS A 28 -13.107 6.099 -0.894 1.00 0.00 C ATOM 387 CE1 HIS A 28 -13.784 5.288 1.027 1.00 0.00 C ATOM 388 NE2 HIS A 28 -14.199 5.786 -0.124 1.00 0.00 N ATOM 0 H HIS A 28 -9.768 3.472 -0.588 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.907 5.323 -2.549 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.961 5.516 0.323 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.297 6.953 -0.623 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -13.124 6.523 -1.887 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.417 4.951 1.835 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -15.173 5.917 -0.396 1.00 0.00 H new ATOM 396 N PRO A 29 -8.860 6.831 -2.992 1.00 0.00 N ATOM 397 CA PRO A 29 -7.663 7.465 -3.551 1.00 0.00 C ATOM 398 C PRO A 29 -6.752 8.039 -2.471 1.00 0.00 C ATOM 399 O PRO A 29 -5.696 8.595 -2.769 1.00 0.00 O ATOM 400 CB PRO A 29 -8.232 8.588 -4.422 1.00 0.00 C ATOM 401 CG PRO A 29 -9.559 8.899 -3.821 1.00 0.00 C ATOM 402 CD PRO A 29 -10.083 7.597 -3.280 1.00 0.00 C ATOM 0 HA PRO A 29 -7.043 6.754 -4.097 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.580 9.462 -4.417 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.332 8.272 -5.460 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.464 9.641 -3.028 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.238 9.313 -4.566 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.684 7.747 -2.383 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.716 7.086 -4.006 1.00 0.00 H new ATOM 410 N GLU A 30 -7.168 7.898 -1.217 1.00 0.00 N ATOM 411 CA GLU A 30 -6.388 8.403 -0.093 1.00 0.00 C ATOM 412 C GLU A 30 -6.101 7.292 0.913 1.00 0.00 C ATOM 413 O GLU A 30 -5.108 7.339 1.641 1.00 0.00 O ATOM 414 CB GLU A 30 -7.129 9.551 0.596 1.00 0.00 C ATOM 415 CG GLU A 30 -8.416 9.121 1.281 1.00 0.00 C ATOM 416 CD GLU A 30 -8.885 10.120 2.321 1.00 0.00 C ATOM 417 OE1 GLU A 30 -8.031 10.649 3.062 1.00 0.00 O ATOM 418 OE2 GLU A 30 -10.106 10.372 2.393 1.00 0.00 O ATOM 0 H GLU A 30 -8.040 7.439 -0.954 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.439 8.773 -0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.469 10.007 1.334 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.359 10.319 -0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.196 8.990 0.531 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.264 8.152 1.756 1.00 0.00 H new ATOM 425 N CYS A 31 -6.977 6.294 0.949 1.00 0.00 N ATOM 426 CA CYS A 31 -6.820 5.171 1.865 1.00 0.00 C ATOM 427 C CYS A 31 -5.661 4.276 1.435 1.00 0.00 C ATOM 428 O CYS A 31 -4.728 4.038 2.202 1.00 0.00 O ATOM 429 CB CYS A 31 -8.112 4.354 1.930 1.00 0.00 C ATOM 430 SG CYS A 31 -9.381 5.058 3.032 1.00 0.00 S ATOM 0 H CYS A 31 -7.804 6.240 0.354 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.600 5.570 2.855 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.526 4.268 0.925 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.875 3.344 2.265 1.00 0.00 H new ATOM 435 N PHE A 32 -5.728 3.782 0.203 1.00 0.00 N ATOM 436 CA PHE A 32 -4.686 2.912 -0.330 1.00 0.00 C ATOM 437 C PHE A 32 -3.329 3.610 -0.303 1.00 0.00 C ATOM 438 O PHE A 32 -2.967 4.324 -1.239 1.00 0.00 O ATOM 439 CB PHE A 32 -5.026 2.490 -1.761 1.00 0.00 C ATOM 440 CG PHE A 32 -4.256 1.289 -2.231 1.00 0.00 C ATOM 441 CD1 PHE A 32 -4.368 0.076 -1.571 1.00 0.00 C ATOM 442 CD2 PHE A 32 -3.421 1.373 -3.333 1.00 0.00 C ATOM 443 CE1 PHE A 32 -3.660 -1.030 -2.001 1.00 0.00 C ATOM 444 CE2 PHE A 32 -2.710 0.270 -3.768 1.00 0.00 C ATOM 445 CZ PHE A 32 -2.831 -0.933 -3.101 1.00 0.00 C ATOM 0 H PHE A 32 -6.493 3.969 -0.445 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.632 2.024 0.300 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.093 2.275 -1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.829 3.324 -2.434 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.016 -0.006 -0.711 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.324 2.311 -3.859 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.755 -1.970 -1.477 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.061 0.349 -4.628 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.278 -1.797 -3.439 1.00 0.00 H new ATOM 455 N ARG A 33 -2.583 3.399 0.776 1.00 0.00 N ATOM 456 CA ARG A 33 -1.267 4.009 0.927 1.00 0.00 C ATOM 457 C ARG A 33 -0.205 2.948 1.203 1.00 0.00 C ATOM 458 O ARG A 33 -0.524 1.808 1.541 1.00 0.00 O ATOM 459 CB ARG A 33 -1.284 5.035 2.061 1.00 0.00 C ATOM 460 CG ARG A 33 -2.323 6.130 1.875 1.00 0.00 C ATOM 461 CD ARG A 33 -2.171 7.224 2.921 1.00 0.00 C ATOM 462 NE ARG A 33 -1.325 8.317 2.450 1.00 0.00 N ATOM 463 CZ ARG A 33 -0.718 9.178 3.260 1.00 0.00 C ATOM 464 NH1 ARG A 33 -0.863 9.072 4.573 1.00 0.00 N ATOM 465 NH2 ARG A 33 0.037 10.146 2.756 1.00 0.00 N ATOM 0 H ARG A 33 -2.867 2.810 1.559 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.019 4.514 -0.007 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.475 4.520 3.003 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.297 5.491 2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.225 6.561 0.879 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.322 5.700 1.939 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.154 7.614 3.183 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.743 6.800 3.830 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.193 8.426 1.444 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.441 8.328 4.964 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.396 9.734 5.193 1.00 0.00 H new ATOM 0 HH21 ARG A 33 0.152 10.230 1.746 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.502 10.806 3.379 1.00 0.00 H new ATOM 479 N CYS A 34 1.059 3.331 1.055 1.00 0.00 N ATOM 480 CA CYS A 34 2.168 2.415 1.287 1.00 0.00 C ATOM 481 C CYS A 34 2.088 1.806 2.684 1.00 0.00 C ATOM 482 O CYS A 34 1.305 2.252 3.523 1.00 0.00 O ATOM 483 CB CYS A 34 3.503 3.142 1.112 1.00 0.00 C ATOM 484 SG CYS A 34 4.934 2.033 0.914 1.00 0.00 S ATOM 0 H CYS A 34 1.340 4.271 0.775 1.00 0.00 H new ATOM 0 HA CYS A 34 2.101 1.611 0.554 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.438 3.793 0.240 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.671 3.783 1.977 1.00 0.00 H new ATOM 489 N ASP A 35 2.902 0.784 2.925 1.00 0.00 N ATOM 490 CA ASP A 35 2.925 0.114 4.220 1.00 0.00 C ATOM 491 C ASP A 35 4.178 0.489 5.004 1.00 0.00 C ATOM 492 O ASP A 35 4.339 0.100 6.162 1.00 0.00 O ATOM 493 CB ASP A 35 2.859 -1.403 4.034 1.00 0.00 C ATOM 494 CG ASP A 35 2.604 -2.135 5.337 1.00 0.00 C ATOM 495 OD1 ASP A 35 3.508 -2.146 6.198 1.00 0.00 O ATOM 496 OD2 ASP A 35 1.500 -2.699 5.495 1.00 0.00 O ATOM 0 H ASP A 35 3.554 0.402 2.241 1.00 0.00 H new ATOM 0 HA ASP A 35 2.053 0.441 4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.068 -1.645 3.324 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.795 -1.754 3.600 1.00 0.00 H new ATOM 501 N LEU A 36 5.064 1.245 4.366 1.00 0.00 N ATOM 502 CA LEU A 36 6.305 1.673 5.004 1.00 0.00 C ATOM 503 C LEU A 36 6.346 3.190 5.153 1.00 0.00 C ATOM 504 O LEU A 36 6.863 3.714 6.140 1.00 0.00 O ATOM 505 CB LEU A 36 7.510 1.196 4.190 1.00 0.00 C ATOM 506 CG LEU A 36 7.672 -0.318 4.056 1.00 0.00 C ATOM 507 CD1 LEU A 36 8.383 -0.666 2.758 1.00 0.00 C ATOM 508 CD2 LEU A 36 8.431 -0.881 5.249 1.00 0.00 C ATOM 0 H LEU A 36 4.947 1.575 3.408 1.00 0.00 H new ATOM 0 HA LEU A 36 6.346 1.228 5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.440 1.624 3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.414 1.599 4.646 1.00 0.00 H new ATOM 0 HG LEU A 36 6.680 -0.770 4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.489 -1.748 2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.801 -0.297 1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.370 -0.203 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.537 -1.960 5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.419 -0.423 5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.882 -0.664 6.165 1.00 0.00 H new ATOM 520 N CYS A 37 5.797 3.891 4.167 1.00 0.00 N ATOM 521 CA CYS A 37 5.769 5.349 4.188 1.00 0.00 C ATOM 522 C CYS A 37 4.336 5.866 4.098 1.00 0.00 C ATOM 523 O CYS A 37 4.093 7.069 4.195 1.00 0.00 O ATOM 524 CB CYS A 37 6.599 5.913 3.033 1.00 0.00 C ATOM 525 SG CYS A 37 5.879 5.618 1.386 1.00 0.00 S ATOM 0 H CYS A 37 5.365 3.473 3.343 1.00 0.00 H new ATOM 0 HA CYS A 37 6.199 5.682 5.132 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.721 6.987 3.178 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.595 5.472 3.066 1.00 0.00 H new ATOM 530 N GLN A 38 3.392 4.949 3.913 1.00 0.00 N ATOM 531 CA GLN A 38 1.984 5.313 3.810 1.00 0.00 C ATOM 532 C GLN A 38 1.776 6.392 2.752 1.00 0.00 C ATOM 533 O GLN A 38 1.207 7.446 3.031 1.00 0.00 O ATOM 534 CB GLN A 38 1.461 5.801 5.163 1.00 0.00 C ATOM 535 CG GLN A 38 1.659 4.800 6.289 1.00 0.00 C ATOM 536 CD GLN A 38 0.456 3.898 6.485 1.00 0.00 C ATOM 537 OE1 GLN A 38 -0.666 4.371 6.665 1.00 0.00 O ATOM 538 NE2 GLN A 38 0.685 2.590 6.451 1.00 0.00 N ATOM 0 H GLN A 38 3.577 3.949 3.831 1.00 0.00 H new ATOM 0 HA GLN A 38 1.426 4.425 3.511 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.964 6.732 5.423 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.399 6.028 5.072 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.536 4.189 6.077 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.861 5.337 7.216 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.632 2.242 6.299 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.086 1.934 6.577 1.00 0.00 H new ATOM 547 N GLU A 39 2.242 6.119 1.537 1.00 0.00 N ATOM 548 CA GLU A 39 2.108 7.068 0.438 1.00 0.00 C ATOM 549 C GLU A 39 1.018 6.625 -0.533 1.00 0.00 C ATOM 550 O GLU A 39 0.984 5.471 -0.962 1.00 0.00 O ATOM 551 CB GLU A 39 3.438 7.215 -0.303 1.00 0.00 C ATOM 552 CG GLU A 39 3.334 8.021 -1.587 1.00 0.00 C ATOM 553 CD GLU A 39 4.677 8.544 -2.059 1.00 0.00 C ATOM 554 OE1 GLU A 39 5.284 9.359 -1.334 1.00 0.00 O ATOM 555 OE2 GLU A 39 5.120 8.137 -3.153 1.00 0.00 O ATOM 0 H GLU A 39 2.715 5.250 1.289 1.00 0.00 H new ATOM 0 HA GLU A 39 1.826 8.034 0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.162 7.692 0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.825 6.223 -0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.896 7.399 -2.368 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.656 8.860 -1.431 1.00 0.00 H new ATOM 562 N VAL A 40 0.127 7.550 -0.877 1.00 0.00 N ATOM 563 CA VAL A 40 -0.964 7.256 -1.798 1.00 0.00 C ATOM 564 C VAL A 40 -0.481 6.408 -2.969 1.00 0.00 C ATOM 565 O VAL A 40 0.365 6.838 -3.754 1.00 0.00 O ATOM 566 CB VAL A 40 -1.603 8.547 -2.342 1.00 0.00 C ATOM 567 CG1 VAL A 40 -2.721 8.220 -3.320 1.00 0.00 C ATOM 568 CG2 VAL A 40 -2.119 9.408 -1.199 1.00 0.00 C ATOM 0 H VAL A 40 0.140 8.510 -0.531 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.713 6.699 -1.234 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.839 9.112 -2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.160 9.145 -3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.318 7.647 -4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.487 7.633 -2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.567 10.316 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.868 8.853 -0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.292 9.673 -0.541 1.00 0.00 H new ATOM 578 N LEU A 41 -1.024 5.201 -3.082 1.00 0.00 N ATOM 579 CA LEU A 41 -0.650 4.291 -4.159 1.00 0.00 C ATOM 580 C LEU A 41 -1.764 4.187 -5.197 1.00 0.00 C ATOM 581 O LEU A 41 -2.016 3.115 -5.745 1.00 0.00 O ATOM 582 CB LEU A 41 -0.332 2.905 -3.595 1.00 0.00 C ATOM 583 CG LEU A 41 0.352 2.878 -2.228 1.00 0.00 C ATOM 584 CD1 LEU A 41 0.246 1.495 -1.606 1.00 0.00 C ATOM 585 CD2 LEU A 41 1.810 3.299 -2.352 1.00 0.00 C ATOM 0 H LEU A 41 -1.725 4.830 -2.441 1.00 0.00 H new ATOM 0 HA LEU A 41 0.239 4.691 -4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.262 2.341 -3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.305 2.382 -4.308 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.156 3.588 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.738 1.495 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.804 1.232 -1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.728 0.765 -2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.281 3.274 -1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.331 2.614 -3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.864 4.311 -2.754 1.00 0.00 H new ATOM 597 N ALA A 42 -2.425 5.309 -5.462 1.00 0.00 N ATOM 598 CA ALA A 42 -3.508 5.345 -6.436 1.00 0.00 C ATOM 599 C ALA A 42 -2.970 5.546 -7.849 1.00 0.00 C ATOM 600 O ALA A 42 -3.210 4.728 -8.737 1.00 0.00 O ATOM 601 CB ALA A 42 -4.497 6.446 -6.085 1.00 0.00 C ATOM 0 H ALA A 42 -2.229 6.205 -5.016 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.023 4.385 -6.405 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.301 6.461 -6.821 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.914 6.258 -5.096 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.985 7.409 -6.086 1.00 0.00 H new ATOM 607 N ASP A 43 -2.242 6.639 -8.050 1.00 0.00 N ATOM 608 CA ASP A 43 -1.669 6.947 -9.355 1.00 0.00 C ATOM 609 C ASP A 43 -0.305 6.286 -9.519 1.00 0.00 C ATOM 610 O ASP A 43 -0.077 5.539 -10.472 1.00 0.00 O ATOM 611 CB ASP A 43 -1.541 8.461 -9.535 1.00 0.00 C ATOM 612 CG ASP A 43 -1.491 8.868 -10.994 1.00 0.00 C ATOM 613 OD1 ASP A 43 -0.531 8.472 -11.688 1.00 0.00 O ATOM 614 OD2 ASP A 43 -2.412 9.583 -11.443 1.00 0.00 O ATOM 0 H ASP A 43 -2.035 7.327 -7.326 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.338 6.553 -10.120 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.385 8.954 -9.052 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.638 8.809 -9.033 1.00 0.00 H new ATOM 619 N ILE A 44 0.599 6.565 -8.586 1.00 0.00 N ATOM 620 CA ILE A 44 1.941 5.997 -8.628 1.00 0.00 C ATOM 621 C ILE A 44 1.891 4.473 -8.676 1.00 0.00 C ATOM 622 O ILE A 44 2.773 3.831 -9.244 1.00 0.00 O ATOM 623 CB ILE A 44 2.776 6.434 -7.410 1.00 0.00 C ATOM 624 CG1 ILE A 44 2.164 5.883 -6.120 1.00 0.00 C ATOM 625 CG2 ILE A 44 2.872 7.951 -7.351 1.00 0.00 C ATOM 626 CD1 ILE A 44 3.086 5.979 -4.925 1.00 0.00 C ATOM 0 H ILE A 44 0.426 7.181 -7.792 1.00 0.00 H new ATOM 0 HA ILE A 44 2.414 6.372 -9.535 1.00 0.00 H new ATOM 0 HB ILE A 44 3.783 6.029 -7.514 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.244 6.426 -5.903 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.890 4.839 -6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.465 8.245 -6.485 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.348 8.321 -8.259 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.872 8.376 -7.267 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.587 5.570 -4.047 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.996 5.413 -5.121 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.340 7.023 -4.745 1.00 0.00 H new ATOM 638 N GLY A 45 0.852 3.901 -8.076 1.00 0.00 N ATOM 639 CA GLY A 45 0.705 2.457 -8.063 1.00 0.00 C ATOM 640 C GLY A 45 1.404 1.814 -6.881 1.00 0.00 C ATOM 641 O GLY A 45 2.138 2.477 -6.149 1.00 0.00 O ATOM 0 H GLY A 45 0.109 4.412 -7.599 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.355 2.203 -8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.109 2.045 -8.988 1.00 0.00 H new ATOM 645 N PHE A 46 1.176 0.518 -6.694 1.00 0.00 N ATOM 646 CA PHE A 46 1.787 -0.214 -5.592 1.00 0.00 C ATOM 647 C PHE A 46 2.580 -1.412 -6.108 1.00 0.00 C ATOM 648 O PHE A 46 2.534 -1.736 -7.295 1.00 0.00 O ATOM 649 CB PHE A 46 0.715 -0.684 -4.607 1.00 0.00 C ATOM 650 CG PHE A 46 -0.200 -1.733 -5.172 1.00 0.00 C ATOM 651 CD1 PHE A 46 -1.197 -1.390 -6.070 1.00 0.00 C ATOM 652 CD2 PHE A 46 -0.062 -3.062 -4.804 1.00 0.00 C ATOM 653 CE1 PHE A 46 -2.041 -2.353 -6.592 1.00 0.00 C ATOM 654 CE2 PHE A 46 -0.902 -4.029 -5.323 1.00 0.00 C ATOM 655 CZ PHE A 46 -1.893 -3.674 -6.217 1.00 0.00 C ATOM 0 H PHE A 46 0.572 -0.046 -7.292 1.00 0.00 H new ATOM 0 HA PHE A 46 2.473 0.459 -5.078 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.201 -1.079 -3.715 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.121 0.174 -4.293 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.317 -0.358 -6.366 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.710 -3.345 -4.104 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.814 -2.073 -7.292 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.784 -5.062 -5.030 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.551 -4.428 -6.622 1.00 0.00 H new ATOM 665 N VAL A 47 3.306 -2.066 -5.207 1.00 0.00 N ATOM 666 CA VAL A 47 4.108 -3.228 -5.570 1.00 0.00 C ATOM 667 C VAL A 47 3.957 -4.343 -4.541 1.00 0.00 C ATOM 668 O VAL A 47 4.485 -4.256 -3.432 1.00 0.00 O ATOM 669 CB VAL A 47 5.599 -2.863 -5.699 1.00 0.00 C ATOM 670 CG1 VAL A 47 6.409 -4.072 -6.141 1.00 0.00 C ATOM 671 CG2 VAL A 47 5.781 -1.705 -6.669 1.00 0.00 C ATOM 0 H VAL A 47 3.355 -1.811 -4.221 1.00 0.00 H new ATOM 0 HA VAL A 47 3.742 -3.576 -6.536 1.00 0.00 H new ATOM 0 HB VAL A 47 5.965 -2.549 -4.721 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.460 -3.795 -6.227 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.303 -4.870 -5.406 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.046 -4.420 -7.108 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.840 -1.460 -6.748 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.400 -1.989 -7.650 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.234 -0.836 -6.305 1.00 0.00 H new ATOM 681 N LYS A 48 3.233 -5.392 -4.916 1.00 0.00 N ATOM 682 CA LYS A 48 3.012 -6.527 -4.028 1.00 0.00 C ATOM 683 C LYS A 48 4.334 -7.047 -3.471 1.00 0.00 C ATOM 684 O LYS A 48 5.258 -7.352 -4.224 1.00 0.00 O ATOM 685 CB LYS A 48 2.283 -7.648 -4.771 1.00 0.00 C ATOM 686 CG LYS A 48 0.776 -7.627 -4.577 1.00 0.00 C ATOM 687 CD LYS A 48 0.380 -8.203 -3.227 1.00 0.00 C ATOM 688 CE LYS A 48 0.084 -9.692 -3.322 1.00 0.00 C ATOM 689 NZ LYS A 48 -1.108 -9.967 -4.172 1.00 0.00 N ATOM 0 H LYS A 48 2.789 -5.480 -5.830 1.00 0.00 H new ATOM 0 HA LYS A 48 2.394 -6.190 -3.195 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.505 -7.571 -5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.671 -8.609 -4.433 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.412 -6.603 -4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.298 -8.199 -5.372 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.183 -8.036 -2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.499 -7.679 -2.850 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.951 -10.209 -3.734 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.082 -10.094 -2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.521 -10.883 -3.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.813 -9.215 -4.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.823 -9.995 -5.172 1.00 0.00 H new ATOM 703 N ASN A 49 4.415 -7.148 -2.149 1.00 0.00 N ATOM 704 CA ASN A 49 5.623 -7.633 -1.492 1.00 0.00 C ATOM 705 C ASN A 49 5.303 -8.199 -0.112 1.00 0.00 C ATOM 706 O ASN A 49 4.694 -7.526 0.720 1.00 0.00 O ATOM 707 CB ASN A 49 6.649 -6.505 -1.367 1.00 0.00 C ATOM 708 CG ASN A 49 7.877 -6.924 -0.583 1.00 0.00 C ATOM 709 OD1 ASN A 49 7.780 -7.661 0.398 1.00 0.00 O ATOM 710 ND2 ASN A 49 9.043 -6.454 -1.014 1.00 0.00 N ATOM 0 H ASN A 49 3.658 -6.900 -1.511 1.00 0.00 H new ATOM 0 HA ASN A 49 6.043 -8.431 -2.104 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.951 -6.180 -2.363 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.185 -5.648 -0.879 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.904 -6.702 -0.527 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.077 -5.846 -1.832 1.00 0.00 H new ATOM 717 N ALA A 50 5.718 -9.439 0.125 1.00 0.00 N ATOM 718 CA ALA A 50 5.477 -10.094 1.404 1.00 0.00 C ATOM 719 C ALA A 50 4.041 -9.881 1.869 1.00 0.00 C ATOM 720 O ALA A 50 3.780 -9.726 3.062 1.00 0.00 O ATOM 721 CB ALA A 50 6.455 -9.582 2.452 1.00 0.00 C ATOM 0 H ALA A 50 6.223 -10.010 -0.553 1.00 0.00 H new ATOM 0 HA ALA A 50 5.632 -11.165 1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.263 -10.080 3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.475 -9.793 2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.328 -8.506 2.574 1.00 0.00 H new ATOM 727 N GLY A 51 3.111 -9.873 0.919 1.00 0.00 N ATOM 728 CA GLY A 51 1.712 -9.677 1.251 1.00 0.00 C ATOM 729 C GLY A 51 1.418 -8.262 1.709 1.00 0.00 C ATOM 730 O GLY A 51 0.522 -8.039 2.523 1.00 0.00 O ATOM 0 H GLY A 51 3.302 -9.999 -0.075 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.099 -9.908 0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.427 -10.377 2.037 1.00 0.00 H new ATOM 734 N ARG A 52 2.175 -7.303 1.186 1.00 0.00 N ATOM 735 CA ARG A 52 1.993 -5.903 1.549 1.00 0.00 C ATOM 736 C ARG A 52 2.130 -5.002 0.324 1.00 0.00 C ATOM 737 O ARG A 52 2.962 -5.248 -0.550 1.00 0.00 O ATOM 738 CB ARG A 52 3.012 -5.492 2.613 1.00 0.00 C ATOM 739 CG ARG A 52 2.931 -6.321 3.885 1.00 0.00 C ATOM 740 CD ARG A 52 4.166 -6.132 4.752 1.00 0.00 C ATOM 741 NE ARG A 52 4.297 -7.186 5.755 1.00 0.00 N ATOM 742 CZ ARG A 52 4.973 -7.041 6.889 1.00 0.00 C ATOM 743 NH1 ARG A 52 5.575 -5.893 7.164 1.00 0.00 N ATOM 744 NH2 ARG A 52 5.047 -8.047 7.752 1.00 0.00 N ATOM 0 H ARG A 52 2.920 -7.470 0.510 1.00 0.00 H new ATOM 0 HA ARG A 52 0.988 -5.787 1.955 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.015 -5.579 2.196 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.860 -4.442 2.863 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.042 -6.038 4.449 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.823 -7.375 3.628 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.054 -6.120 4.120 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.115 -5.163 5.249 1.00 0.00 H new ATOM 0 HE ARG A 52 3.845 -8.082 5.575 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.520 -5.117 6.504 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.093 -5.785 8.036 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.585 -8.932 7.544 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.566 -7.935 8.623 1.00 0.00 H new ATOM 758 N HIS A 53 1.308 -3.959 0.269 1.00 0.00 N ATOM 759 CA HIS A 53 1.338 -3.021 -0.848 1.00 0.00 C ATOM 760 C HIS A 53 2.297 -1.869 -0.565 1.00 0.00 C ATOM 761 O HIS A 53 2.030 -1.020 0.287 1.00 0.00 O ATOM 762 CB HIS A 53 -0.065 -2.477 -1.122 1.00 0.00 C ATOM 763 CG HIS A 53 -0.914 -2.366 0.106 1.00 0.00 C ATOM 764 ND1 HIS A 53 -2.213 -2.825 0.167 1.00 0.00 N ATOM 765 CD2 HIS A 53 -0.643 -1.845 1.325 1.00 0.00 C ATOM 766 CE1 HIS A 53 -2.705 -2.590 1.370 1.00 0.00 C ATOM 767 NE2 HIS A 53 -1.772 -1.996 2.093 1.00 0.00 N ATOM 0 H HIS A 53 0.614 -3.742 0.984 1.00 0.00 H new ATOM 0 HA HIS A 53 1.691 -3.556 -1.730 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.019 -1.494 -1.586 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.564 -3.127 -1.841 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.288 -1.394 1.636 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.700 -2.841 1.706 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -1.874 -1.698 3.063 1.00 0.00 H new ATOM 776 N LEU A 54 3.414 -1.845 -1.284 1.00 0.00 N ATOM 777 CA LEU A 54 4.414 -0.797 -1.110 1.00 0.00 C ATOM 778 C LEU A 54 4.535 0.055 -2.370 1.00 0.00 C ATOM 779 O LEU A 54 4.002 -0.296 -3.423 1.00 0.00 O ATOM 780 CB LEU A 54 5.771 -1.412 -0.764 1.00 0.00 C ATOM 781 CG LEU A 54 5.734 -2.704 0.054 1.00 0.00 C ATOM 782 CD1 LEU A 54 7.093 -3.384 0.039 1.00 0.00 C ATOM 783 CD2 LEU A 54 5.294 -2.417 1.482 1.00 0.00 C ATOM 0 H LEU A 54 3.650 -2.539 -1.993 1.00 0.00 H new ATOM 0 HA LEU A 54 4.093 -0.155 -0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.306 -1.609 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.352 -0.673 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 54 5.009 -3.379 -0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.047 -4.301 0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.369 -3.624 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.839 -2.715 0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.273 -3.347 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.995 -1.724 1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.298 -1.974 1.474 1.00 0.00 H new ATOM 795 N CYS A 55 5.240 1.175 -2.254 1.00 0.00 N ATOM 796 CA CYS A 55 5.433 2.077 -3.383 1.00 0.00 C ATOM 797 C CYS A 55 6.795 1.851 -4.033 1.00 0.00 C ATOM 798 O CYS A 55 7.757 1.470 -3.365 1.00 0.00 O ATOM 799 CB CYS A 55 5.308 3.532 -2.927 1.00 0.00 C ATOM 800 SG CYS A 55 6.655 4.087 -1.833 1.00 0.00 S ATOM 0 H CYS A 55 5.687 1.480 -1.389 1.00 0.00 H new ATOM 0 HA CYS A 55 4.659 1.867 -4.121 1.00 0.00 H new ATOM 0 HB2 CYS A 55 5.280 4.176 -3.806 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.358 3.659 -2.408 1.00 0.00 H new ATOM 805 N ARG A 56 6.869 2.089 -5.338 1.00 0.00 N ATOM 806 CA ARG A 56 8.112 1.911 -6.078 1.00 0.00 C ATOM 807 C ARG A 56 9.315 2.293 -5.221 1.00 0.00 C ATOM 808 O ARG A 56 10.263 1.524 -5.059 1.00 0.00 O ATOM 809 CB ARG A 56 8.095 2.752 -7.356 1.00 0.00 C ATOM 810 CG ARG A 56 7.735 1.960 -8.602 1.00 0.00 C ATOM 811 CD ARG A 56 8.818 0.953 -8.954 1.00 0.00 C ATOM 812 NE ARG A 56 9.801 1.507 -9.882 1.00 0.00 N ATOM 813 CZ ARG A 56 9.499 1.939 -11.101 1.00 0.00 C ATOM 814 NH1 ARG A 56 8.248 1.881 -11.538 1.00 0.00 N ATOM 815 NH2 ARG A 56 10.448 2.431 -11.886 1.00 0.00 N ATOM 0 H ARG A 56 6.082 2.406 -5.905 1.00 0.00 H new ATOM 0 HA ARG A 56 8.198 0.858 -6.345 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.381 3.567 -7.235 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.076 3.206 -7.495 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.790 1.440 -8.443 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.586 2.643 -9.438 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.322 0.629 -8.043 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.360 0.068 -9.397 1.00 0.00 H new ATOM 0 HE ARG A 56 10.773 1.565 -9.577 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.515 1.504 -10.937 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.019 2.214 -12.475 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.411 2.478 -11.554 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.215 2.762 -12.822 1.00 0.00 H new ATOM 829 N PRO A 57 9.278 3.510 -4.658 1.00 0.00 N ATOM 830 CA PRO A 57 10.357 4.022 -3.808 1.00 0.00 C ATOM 831 C PRO A 57 10.788 3.014 -2.748 1.00 0.00 C ATOM 832 O PRO A 57 11.914 2.518 -2.770 1.00 0.00 O ATOM 833 CB PRO A 57 9.735 5.257 -3.151 1.00 0.00 C ATOM 834 CG PRO A 57 8.681 5.703 -4.105 1.00 0.00 C ATOM 835 CD PRO A 57 8.180 4.480 -4.808 1.00 0.00 C ATOM 0 HA PRO A 57 11.260 4.236 -4.380 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.310 5.016 -2.177 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.479 6.037 -2.990 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.870 6.203 -3.577 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.086 6.420 -4.819 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.257 4.111 -4.360 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.966 4.682 -5.858 1.00 0.00 H new ATOM 843 N CYS A 58 9.884 2.715 -1.821 1.00 0.00 N ATOM 844 CA CYS A 58 10.170 1.766 -0.752 1.00 0.00 C ATOM 845 C CYS A 58 10.559 0.405 -1.322 1.00 0.00 C ATOM 846 O CYS A 58 11.696 -0.042 -1.169 1.00 0.00 O ATOM 847 CB CYS A 58 8.954 1.618 0.165 1.00 0.00 C ATOM 848 SG CYS A 58 8.465 3.158 1.007 1.00 0.00 S ATOM 0 H CYS A 58 8.947 3.116 -1.789 1.00 0.00 H new ATOM 0 HA CYS A 58 11.009 2.151 -0.173 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.111 1.255 -0.423 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.169 0.858 0.916 1.00 0.00 H new ATOM 853 N HIS A 59 9.608 -0.248 -1.981 1.00 0.00 N ATOM 854 CA HIS A 59 9.851 -1.558 -2.575 1.00 0.00 C ATOM 855 C HIS A 59 11.264 -1.642 -3.144 1.00 0.00 C ATOM 856 O HIS A 59 11.968 -2.629 -2.939 1.00 0.00 O ATOM 857 CB HIS A 59 8.828 -1.840 -3.675 1.00 0.00 C ATOM 858 CG HIS A 59 9.039 -3.152 -4.367 1.00 0.00 C ATOM 859 ND1 HIS A 59 8.817 -4.369 -3.758 1.00 0.00 N ATOM 860 CD2 HIS A 59 9.452 -3.432 -5.625 1.00 0.00 C ATOM 861 CE1 HIS A 59 9.087 -5.341 -4.611 1.00 0.00 C ATOM 862 NE2 HIS A 59 9.474 -4.799 -5.752 1.00 0.00 N ATOM 0 H HIS A 59 8.662 0.108 -2.117 1.00 0.00 H new ATOM 0 HA HIS A 59 9.748 -2.310 -1.792 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.828 -1.823 -3.242 1.00 0.00 H new ATOM 0 HB3 HIS A 59 8.870 -1.039 -4.413 1.00 0.00 H new ATOM 0 HD2 HIS A 59 9.715 -2.714 -6.387 1.00 0.00 H new ATOM 0 HE1 HIS A 59 9.005 -6.399 -4.410 1.00 0.00 H new ATOM 0 HE2 HIS A 59 9.745 -5.312 -6.591 1.00 0.00 H new ATOM 871 N ASN A 60 11.671 -0.600 -3.862 1.00 0.00 N ATOM 872 CA ASN A 60 12.999 -0.557 -4.462 1.00 0.00 C ATOM 873 C ASN A 60 14.082 -0.713 -3.399 1.00 0.00 C ATOM 874 O ASN A 60 15.067 -1.423 -3.601 1.00 0.00 O ATOM 875 CB ASN A 60 13.197 0.759 -5.218 1.00 0.00 C ATOM 876 CG ASN A 60 12.715 0.678 -6.654 1.00 0.00 C ATOM 877 OD1 ASN A 60 13.191 -0.146 -7.435 1.00 0.00 O ATOM 878 ND2 ASN A 60 11.765 1.537 -7.007 1.00 0.00 N ATOM 0 H ASN A 60 11.100 0.226 -4.042 1.00 0.00 H new ATOM 0 HA ASN A 60 13.081 -1.388 -5.163 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.661 1.556 -4.702 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.254 1.026 -5.207 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.400 1.531 -7.960 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.400 2.202 -6.325 1.00 0.00 H new ATOM 885 N ARG A 61 13.892 -0.045 -2.266 1.00 0.00 N ATOM 886 CA ARG A 61 14.852 -0.108 -1.171 1.00 0.00 C ATOM 887 C ARG A 61 14.906 -1.513 -0.576 1.00 0.00 C ATOM 888 O ARG A 61 15.982 -2.029 -0.277 1.00 0.00 O ATOM 889 CB ARG A 61 14.486 0.904 -0.083 1.00 0.00 C ATOM 890 CG ARG A 61 14.734 2.348 -0.488 1.00 0.00 C ATOM 891 CD ARG A 61 14.029 3.317 0.449 1.00 0.00 C ATOM 892 NE ARG A 61 13.992 4.673 -0.093 1.00 0.00 N ATOM 893 CZ ARG A 61 13.090 5.581 0.261 1.00 0.00 C ATOM 894 NH1 ARG A 61 12.155 5.280 1.152 1.00 0.00 N ATOM 895 NH2 ARG A 61 13.121 6.794 -0.277 1.00 0.00 N ATOM 0 H ARG A 61 13.081 0.546 -2.082 1.00 0.00 H new ATOM 0 HA ARG A 61 15.836 0.138 -1.570 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.434 0.783 0.175 1.00 0.00 H new ATOM 0 HB3 ARG A 61 15.062 0.683 0.816 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.805 2.550 -0.484 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.384 2.506 -1.508 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.011 2.971 0.630 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.539 3.325 1.412 1.00 0.00 H new ATOM 0 HE ARG A 61 14.697 4.937 -0.781 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.127 4.349 1.567 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.464 5.980 1.422 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.838 7.029 -0.963 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.428 7.491 -0.004 1.00 0.00 H new ATOM 909 N GLU A 62 13.737 -2.123 -0.407 1.00 0.00 N ATOM 910 CA GLU A 62 13.652 -3.467 0.153 1.00 0.00 C ATOM 911 C GLU A 62 14.340 -4.481 -0.757 1.00 0.00 C ATOM 912 O GLU A 62 15.261 -5.183 -0.340 1.00 0.00 O ATOM 913 CB GLU A 62 12.190 -3.864 0.364 1.00 0.00 C ATOM 914 CG GLU A 62 11.364 -2.797 1.063 1.00 0.00 C ATOM 915 CD GLU A 62 11.380 -2.943 2.573 1.00 0.00 C ATOM 916 OE1 GLU A 62 10.550 -3.710 3.104 1.00 0.00 O ATOM 917 OE2 GLU A 62 12.223 -2.289 3.222 1.00 0.00 O ATOM 0 H GLU A 62 12.837 -1.709 -0.649 1.00 0.00 H new ATOM 0 HA GLU A 62 14.163 -3.464 1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.739 -4.085 -0.603 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.153 -4.782 0.950 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.746 -1.812 0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.335 -2.849 0.708 1.00 0.00 H new ATOM 924 N LYS A 63 13.884 -4.552 -2.003 1.00 0.00 N ATOM 925 CA LYS A 63 14.454 -5.478 -2.975 1.00 0.00 C ATOM 926 C LYS A 63 15.945 -5.220 -3.163 1.00 0.00 C ATOM 927 O LYS A 63 16.714 -6.141 -3.436 1.00 0.00 O ATOM 928 CB LYS A 63 13.730 -5.350 -4.317 1.00 0.00 C ATOM 929 CG LYS A 63 13.978 -4.026 -5.018 1.00 0.00 C ATOM 930 CD LYS A 63 13.802 -4.150 -6.522 1.00 0.00 C ATOM 931 CE LYS A 63 12.357 -3.913 -6.936 1.00 0.00 C ATOM 932 NZ LYS A 63 12.034 -2.461 -7.014 1.00 0.00 N ATOM 0 H LYS A 63 13.121 -3.979 -2.364 1.00 0.00 H new ATOM 0 HA LYS A 63 14.324 -6.491 -2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 63 14.047 -6.163 -4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.659 -5.471 -4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.290 -3.274 -4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.987 -3.679 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.448 -3.431 -7.025 1.00 0.00 H new ATOM 0 HD3 LYS A 63 14.116 -5.142 -6.846 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.176 -4.378 -7.905 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.690 -4.396 -6.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.376 -2.294 -7.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.593 -2.155 -6.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.908 -1.919 -7.172 1.00 0.00 H new ATOM 946 N ALA A 64 16.347 -3.962 -3.013 1.00 0.00 N ATOM 947 CA ALA A 64 17.747 -3.585 -3.163 1.00 0.00 C ATOM 948 C ALA A 64 18.609 -4.232 -2.084 1.00 0.00 C ATOM 949 O ALA A 64 19.601 -4.896 -2.384 1.00 0.00 O ATOM 950 CB ALA A 64 17.893 -2.071 -3.120 1.00 0.00 C ATOM 0 H ALA A 64 15.723 -3.187 -2.788 1.00 0.00 H new ATOM 0 HA ALA A 64 18.093 -3.946 -4.132 1.00 0.00 H new ATOM 0 HB1 ALA A 64 18.944 -1.803 -3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.316 -1.627 -3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 64 17.524 -1.697 -2.165 1.00 0.00 H new ATOM 956 N SER A 65 18.224 -4.033 -0.827 1.00 0.00 N ATOM 957 CA SER A 65 18.964 -4.594 0.297 1.00 0.00 C ATOM 958 C SER A 65 19.510 -5.976 -0.047 1.00 0.00 C ATOM 959 O SER A 65 20.698 -6.247 0.123 1.00 0.00 O ATOM 960 CB SER A 65 18.068 -4.680 1.533 1.00 0.00 C ATOM 961 OG SER A 65 17.991 -3.430 2.197 1.00 0.00 O ATOM 0 H SER A 65 17.404 -3.487 -0.562 1.00 0.00 H new ATOM 0 HA SER A 65 19.804 -3.934 0.512 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.069 -5.001 1.240 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.458 -5.435 2.216 1.00 0.00 H new ATOM 0 HG SER A 65 17.411 -3.512 2.983 1.00 0.00 H new ATOM 967 N GLY A 66 18.631 -6.848 -0.533 1.00 0.00 N ATOM 968 CA GLY A 66 19.042 -8.192 -0.894 1.00 0.00 C ATOM 969 C GLY A 66 18.124 -8.823 -1.922 1.00 0.00 C ATOM 970 O GLY A 66 17.009 -8.357 -2.159 1.00 0.00 O ATOM 0 H GLY A 66 17.642 -6.647 -0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.058 -8.164 -1.287 1.00 0.00 H new ATOM 0 HA3 GLY A 66 19.063 -8.815 0.000 1.00 0.00 H new ATOM 974 N PRO A 67 18.593 -9.910 -2.553 1.00 0.00 N ATOM 975 CA PRO A 67 17.822 -10.628 -3.572 1.00 0.00 C ATOM 976 C PRO A 67 16.628 -11.368 -2.980 1.00 0.00 C ATOM 977 O PRO A 67 16.783 -12.418 -2.357 1.00 0.00 O ATOM 978 CB PRO A 67 18.835 -11.621 -4.148 1.00 0.00 C ATOM 979 CG PRO A 67 19.825 -11.830 -3.055 1.00 0.00 C ATOM 980 CD PRO A 67 19.913 -10.520 -2.321 1.00 0.00 C ATOM 0 HA PRO A 67 17.398 -9.952 -4.314 1.00 0.00 H new ATOM 0 HB2 PRO A 67 18.354 -12.557 -4.431 1.00 0.00 H new ATOM 0 HB3 PRO A 67 19.312 -11.224 -5.044 1.00 0.00 H new ATOM 0 HG2 PRO A 67 19.506 -12.631 -2.388 1.00 0.00 H new ATOM 0 HG3 PRO A 67 20.796 -12.118 -3.458 1.00 0.00 H new ATOM 0 HD2 PRO A 67 20.107 -10.667 -1.258 1.00 0.00 H new ATOM 0 HD3 PRO A 67 20.718 -9.896 -2.708 1.00 0.00 H new ATOM 988 N SER A 68 15.436 -10.814 -3.180 1.00 0.00 N ATOM 989 CA SER A 68 14.215 -11.420 -2.663 1.00 0.00 C ATOM 990 C SER A 68 13.805 -12.623 -3.508 1.00 0.00 C ATOM 991 O SER A 68 14.443 -12.935 -4.514 1.00 0.00 O ATOM 992 CB SER A 68 13.082 -10.393 -2.636 1.00 0.00 C ATOM 993 OG SER A 68 13.063 -9.687 -1.407 1.00 0.00 O ATOM 0 H SER A 68 15.290 -9.947 -3.696 1.00 0.00 H new ATOM 0 HA SER A 68 14.411 -11.761 -1.647 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.204 -9.691 -3.461 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.127 -10.897 -2.785 1.00 0.00 H new ATOM 0 HG SER A 68 12.331 -9.035 -1.415 1.00 0.00 H new ATOM 999 N SER A 69 12.737 -13.295 -3.091 1.00 0.00 N ATOM 1000 CA SER A 69 12.244 -14.466 -3.806 1.00 0.00 C ATOM 1001 C SER A 69 10.728 -14.403 -3.970 1.00 0.00 C ATOM 1002 O SER A 69 10.015 -13.939 -3.082 1.00 0.00 O ATOM 1003 CB SER A 69 12.635 -15.746 -3.064 1.00 0.00 C ATOM 1004 OG SER A 69 14.033 -15.797 -2.838 1.00 0.00 O ATOM 0 H SER A 69 12.197 -13.049 -2.262 1.00 0.00 H new ATOM 0 HA SER A 69 12.700 -14.475 -4.796 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.107 -15.794 -2.111 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.325 -16.615 -3.644 1.00 0.00 H new ATOM 0 HG SER A 69 14.257 -16.623 -2.361 1.00 0.00 H new ATOM 1010 N GLY A 70 10.243 -14.875 -5.115 1.00 0.00 N ATOM 1011 CA GLY A 70 8.816 -14.864 -5.377 1.00 0.00 C ATOM 1012 C GLY A 70 8.299 -16.216 -5.827 1.00 0.00 C ATOM 1013 O GLY A 70 9.078 -17.012 -6.348 1.00 0.00 O ATOM 0 H GLY A 70 10.813 -15.265 -5.865 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.286 -14.558 -4.475 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.596 -14.121 -6.143 1.00 0.00 H new TER 1017 GLY A 70 HETATM 1018 ZN ZN A 201 -11.430 4.254 2.480 1.00 0.00 ZN HETATM 1019 ZN ZN A 401 6.587 3.624 0.358 1.00 0.00 ZN