USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 360 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 HIS : no HE2:sc= -0.147 K(o=-0.071,f=-3.8!) USER MOD Set 1.2: A 46 HIS : no HE2:sc= 0.076 K(o=-0.071,f=-3.1!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.634 K(o=-0.63,f=-2.2!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -163:sc= -0.082 (180deg=-0.471) USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= 0.956 (180deg=0.755) USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= 1.27 (180deg=0.674) USER MOD Single : A 22 SER OG : rot 71:sc= 1.23 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.576 K(o=-0.58,f=0.046) USER MOD Single : A 28 TYR OH : rot 157:sc= -0.325 USER MOD Single : A 29 HIS : no HE2:sc= 0.835 K(o=0.84,f=-2.7!) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 33 LYS NZ :NH3+ 160:sc= 1.3 (180deg=0.88) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= 1.06 K(o=1.1,f=-5.3!) USER MOD Single : A 48 TYR OH : rot 130:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.084 -12.452 -10.211 1.00 0.00 N ATOM 2 CA ALA A 1 -5.977 -11.585 -9.851 1.00 0.00 C ATOM 3 C ALA A 1 -6.311 -10.144 -10.185 1.00 0.00 C ATOM 4 O ALA A 1 -6.100 -9.692 -11.309 1.00 0.00 O ATOM 5 CB ALA A 1 -4.688 -12.018 -10.541 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.844 -13.437 -9.978 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.933 -12.168 -9.682 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.269 -12.373 -11.231 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.816 -11.666 -8.776 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -3.878 -11.349 -10.251 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -4.441 -13.037 -10.244 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.823 -11.978 -11.622 1.00 0.00 H new ATOM 11 N HIS A 2 -6.911 -9.450 -9.252 1.00 0.00 N ATOM 12 CA HIS A 2 -7.236 -8.050 -9.443 1.00 0.00 C ATOM 13 C HIS A 2 -6.552 -7.227 -8.390 1.00 0.00 C ATOM 14 O HIS A 2 -6.580 -7.583 -7.220 1.00 0.00 O ATOM 15 CB HIS A 2 -8.755 -7.793 -9.376 1.00 0.00 C ATOM 16 CG HIS A 2 -9.560 -8.449 -10.456 1.00 0.00 C ATOM 17 ND1 HIS A 2 -10.796 -9.012 -10.255 1.00 0.00 N ATOM 18 CD2 HIS A 2 -9.300 -8.593 -11.773 1.00 0.00 C ATOM 19 CE1 HIS A 2 -11.243 -9.474 -11.422 1.00 0.00 C ATOM 20 NE2 HIS A 2 -10.367 -9.245 -12.383 1.00 0.00 N ATOM 0 H HIS A 2 -7.188 -9.829 -8.346 1.00 0.00 H new ATOM 0 HA HIS A 2 -6.890 -7.766 -10.437 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -9.124 -8.138 -8.410 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -8.928 -6.718 -9.418 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -8.405 -8.255 -12.274 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -12.193 -9.969 -11.563 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -10.454 -9.494 -13.368 1.00 0.00 H new ATOM 28 N CYS A 3 -5.993 -6.106 -8.785 1.00 0.00 N ATOM 29 CA CYS A 3 -5.319 -5.204 -7.850 1.00 0.00 C ATOM 30 C CYS A 3 -6.320 -4.217 -7.263 1.00 0.00 C ATOM 31 O CYS A 3 -5.952 -3.218 -6.658 1.00 0.00 O ATOM 32 CB CYS A 3 -4.171 -4.454 -8.546 1.00 0.00 C ATOM 33 SG CYS A 3 -2.805 -5.519 -9.096 1.00 0.00 S ATOM 0 H CYS A 3 -5.987 -5.786 -9.754 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.894 -5.799 -7.041 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.571 -3.922 -9.409 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.777 -3.702 -7.862 1.00 0.00 H new ATOM 38 N ASP A 4 -7.587 -4.538 -7.409 1.00 0.00 N ATOM 39 CA ASP A 4 -8.671 -3.690 -6.942 1.00 0.00 C ATOM 40 C ASP A 4 -9.028 -3.965 -5.492 1.00 0.00 C ATOM 41 O ASP A 4 -9.929 -3.339 -4.951 1.00 0.00 O ATOM 42 CB ASP A 4 -9.928 -3.840 -7.830 1.00 0.00 C ATOM 43 CG ASP A 4 -9.884 -3.035 -9.119 1.00 0.00 C ATOM 44 OD1 ASP A 4 -9.461 -3.560 -10.180 1.00 0.00 O ATOM 45 OD2 ASP A 4 -10.301 -1.858 -9.104 1.00 0.00 O ATOM 0 H ASP A 4 -7.900 -5.399 -7.857 1.00 0.00 H new ATOM 0 HA ASP A 4 -8.311 -2.664 -7.013 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.060 -4.893 -8.078 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.803 -3.536 -7.255 1.00 0.00 H new ATOM 50 N HIS A 5 -8.320 -4.870 -4.860 1.00 0.00 N ATOM 51 CA HIS A 5 -8.618 -5.244 -3.490 1.00 0.00 C ATOM 52 C HIS A 5 -7.547 -4.691 -2.571 1.00 0.00 C ATOM 53 O HIS A 5 -6.380 -4.590 -2.971 1.00 0.00 O ATOM 54 CB HIS A 5 -8.587 -6.770 -3.333 1.00 0.00 C ATOM 55 CG HIS A 5 -9.391 -7.559 -4.319 1.00 0.00 C ATOM 56 ND1 HIS A 5 -8.827 -8.274 -5.358 1.00 0.00 N ATOM 57 CD2 HIS A 5 -10.717 -7.804 -4.371 1.00 0.00 C ATOM 58 CE1 HIS A 5 -9.802 -8.931 -5.988 1.00 0.00 C ATOM 59 NE2 HIS A 5 -10.979 -8.678 -5.429 1.00 0.00 N ATOM 0 H HIS A 5 -7.529 -5.366 -5.271 1.00 0.00 H new ATOM 0 HA HIS A 5 -9.604 -4.851 -3.241 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -7.550 -7.099 -3.398 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -8.938 -7.017 -2.331 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -11.457 -7.391 -3.702 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -9.654 -9.581 -6.838 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -11.887 -9.046 -5.713 1.00 0.00 H new ATOM 67 N PHE A 6 -7.921 -4.344 -1.364 1.00 0.00 N ATOM 68 CA PHE A 6 -6.956 -3.960 -0.364 1.00 0.00 C ATOM 69 C PHE A 6 -6.559 -5.199 0.402 1.00 0.00 C ATOM 70 O PHE A 6 -7.419 -5.958 0.859 1.00 0.00 O ATOM 71 CB PHE A 6 -7.505 -2.929 0.638 1.00 0.00 C ATOM 72 CG PHE A 6 -7.777 -1.551 0.099 1.00 0.00 C ATOM 73 CD1 PHE A 6 -6.745 -0.628 -0.055 1.00 0.00 C ATOM 74 CD2 PHE A 6 -9.066 -1.159 -0.206 1.00 0.00 C ATOM 75 CE1 PHE A 6 -7.011 0.649 -0.504 1.00 0.00 C ATOM 76 CE2 PHE A 6 -9.328 0.115 -0.661 1.00 0.00 C ATOM 77 CZ PHE A 6 -8.300 1.018 -0.809 1.00 0.00 C ATOM 0 H PHE A 6 -8.891 -4.320 -1.050 1.00 0.00 H new ATOM 0 HA PHE A 6 -6.112 -3.499 -0.878 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -8.432 -3.321 1.058 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -6.795 -2.840 1.460 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -5.730 -0.914 0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -9.879 -1.860 -0.086 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -6.206 1.360 -0.616 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -10.340 0.405 -0.902 1.00 0.00 H new ATOM 0 HZ PHE A 6 -8.506 2.017 -1.165 1.00 0.00 H new ATOM 87 N LEU A 7 -5.289 -5.426 0.518 1.00 0.00 N ATOM 88 CA LEU A 7 -4.799 -6.555 1.270 1.00 0.00 C ATOM 89 C LEU A 7 -4.561 -6.135 2.693 1.00 0.00 C ATOM 90 O LEU A 7 -4.860 -6.868 3.639 1.00 0.00 O ATOM 91 CB LEU A 7 -3.505 -7.095 0.666 1.00 0.00 C ATOM 92 CG LEU A 7 -3.582 -7.563 -0.784 1.00 0.00 C ATOM 93 CD1 LEU A 7 -2.256 -8.137 -1.218 1.00 0.00 C ATOM 94 CD2 LEU A 7 -4.691 -8.580 -0.967 1.00 0.00 C ATOM 0 H LEU A 7 -4.562 -4.844 0.101 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.545 -7.349 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.744 -6.317 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.164 -7.930 1.278 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.811 -6.701 -1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.324 -8.467 -2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.483 -7.374 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.001 -8.985 -0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.725 -8.898 -2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.501 -9.444 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.646 -8.131 -0.693 1.00 0.00 H new ATOM 106 N GLY A 8 -4.060 -4.940 2.842 1.00 0.00 N ATOM 107 CA GLY A 8 -3.755 -4.434 4.129 1.00 0.00 C ATOM 108 C GLY A 8 -3.050 -3.126 4.031 1.00 0.00 C ATOM 109 O GLY A 8 -3.201 -2.401 3.021 1.00 0.00 O ATOM 0 H GLY A 8 -3.857 -4.302 2.073 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.673 -4.315 4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.132 -5.148 4.667 1.00 0.00 H new ATOM 113 N GLU A 9 -2.241 -2.847 5.012 1.00 0.00 N ATOM 114 CA GLU A 9 -1.553 -1.589 5.121 1.00 0.00 C ATOM 115 C GLU A 9 -0.092 -1.835 5.403 1.00 0.00 C ATOM 116 O GLU A 9 0.271 -2.844 6.019 1.00 0.00 O ATOM 117 CB GLU A 9 -2.125 -0.777 6.277 1.00 0.00 C ATOM 118 CG GLU A 9 -3.604 -0.472 6.185 1.00 0.00 C ATOM 119 CD GLU A 9 -4.080 0.266 7.394 1.00 0.00 C ATOM 120 OE1 GLU A 9 -3.917 1.491 7.460 1.00 0.00 O ATOM 121 OE2 GLU A 9 -4.603 -0.363 8.324 1.00 0.00 O ATOM 0 H GLU A 9 -2.036 -3.496 5.772 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.677 -1.045 4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.940 -1.317 7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.580 0.165 6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.801 0.122 5.292 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.164 -1.401 6.079 1.00 0.00 H new ATOM 128 N ALA A 10 0.730 -0.938 4.973 1.00 0.00 N ATOM 129 CA ALA A 10 2.130 -1.004 5.251 1.00 0.00 C ATOM 130 C ALA A 10 2.553 0.267 5.977 1.00 0.00 C ATOM 131 O ALA A 10 2.081 1.361 5.650 1.00 0.00 O ATOM 132 CB ALA A 10 2.929 -1.197 3.969 1.00 0.00 C ATOM 0 H ALA A 10 0.450 -0.132 4.415 1.00 0.00 H new ATOM 0 HA ALA A 10 2.333 -1.864 5.890 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.992 -1.244 4.206 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.623 -2.125 3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.744 -0.360 3.296 1.00 0.00 H new ATOM 138 N PRO A 11 3.382 0.150 7.011 1.00 0.00 N ATOM 139 CA PRO A 11 3.883 1.306 7.734 1.00 0.00 C ATOM 140 C PRO A 11 5.027 1.988 6.973 1.00 0.00 C ATOM 141 O PRO A 11 6.181 1.555 7.032 1.00 0.00 O ATOM 142 CB PRO A 11 4.377 0.716 9.055 1.00 0.00 C ATOM 143 CG PRO A 11 4.742 -0.696 8.730 1.00 0.00 C ATOM 144 CD PRO A 11 3.879 -1.123 7.575 1.00 0.00 C ATOM 0 HA PRO A 11 3.125 2.078 7.870 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.235 1.268 9.438 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.603 0.758 9.821 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.798 -0.770 8.470 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.580 -1.344 9.592 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.449 -1.690 6.839 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.059 -1.761 7.904 1.00 0.00 H new ATOM 152 N VAL A 12 4.695 2.995 6.201 1.00 0.00 N ATOM 153 CA VAL A 12 5.687 3.704 5.412 1.00 0.00 C ATOM 154 C VAL A 12 5.588 5.190 5.681 1.00 0.00 C ATOM 155 O VAL A 12 4.566 5.814 5.360 1.00 0.00 O ATOM 156 CB VAL A 12 5.494 3.466 3.880 1.00 0.00 C ATOM 157 CG1 VAL A 12 6.625 4.104 3.077 1.00 0.00 C ATOM 158 CG2 VAL A 12 5.395 1.988 3.558 1.00 0.00 C ATOM 0 H VAL A 12 3.743 3.347 6.099 1.00 0.00 H new ATOM 0 HA VAL A 12 6.665 3.321 5.703 1.00 0.00 H new ATOM 0 HB VAL A 12 4.555 3.942 3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.464 3.922 2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.642 5.178 3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.577 3.668 3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.261 1.858 2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.309 1.485 3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.543 1.557 4.085 1.00 0.00 H new ATOM 168 N TYR A 13 6.602 5.753 6.286 1.00 0.00 N ATOM 169 CA TYR A 13 6.633 7.168 6.519 1.00 0.00 C ATOM 170 C TYR A 13 8.074 7.675 6.362 1.00 0.00 C ATOM 171 O TYR A 13 8.981 7.159 7.015 1.00 0.00 O ATOM 172 CB TYR A 13 6.079 7.532 7.909 1.00 0.00 C ATOM 173 CG TYR A 13 5.766 9.008 8.037 1.00 0.00 C ATOM 174 CD1 TYR A 13 6.764 9.941 8.274 1.00 0.00 C ATOM 175 CD2 TYR A 13 4.470 9.468 7.881 1.00 0.00 C ATOM 176 CE1 TYR A 13 6.481 11.280 8.347 1.00 0.00 C ATOM 177 CE2 TYR A 13 4.180 10.809 7.964 1.00 0.00 C ATOM 178 CZ TYR A 13 5.192 11.710 8.194 1.00 0.00 C ATOM 179 OH TYR A 13 4.917 13.049 8.258 1.00 0.00 O ATOM 0 H TYR A 13 7.420 5.247 6.627 1.00 0.00 H new ATOM 0 HA TYR A 13 5.991 7.652 5.783 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.175 6.954 8.100 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.805 7.250 8.672 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.783 9.607 8.403 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.675 8.763 7.691 1.00 0.00 H new ATOM 0 HE1 TYR A 13 7.273 11.993 8.525 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.163 11.153 7.849 1.00 0.00 H new ATOM 0 HH TYR A 13 3.956 13.192 8.129 1.00 0.00 H new ATOM 189 N PRO A 14 8.313 8.679 5.486 1.00 0.00 N ATOM 190 CA PRO A 14 7.272 9.298 4.667 1.00 0.00 C ATOM 191 C PRO A 14 6.816 8.341 3.575 1.00 0.00 C ATOM 192 O PRO A 14 7.594 7.488 3.106 1.00 0.00 O ATOM 193 CB PRO A 14 7.951 10.542 4.064 1.00 0.00 C ATOM 194 CG PRO A 14 9.266 10.657 4.765 1.00 0.00 C ATOM 195 CD PRO A 14 9.620 9.278 5.225 1.00 0.00 C ATOM 0 HA PRO A 14 6.381 9.553 5.240 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.088 10.432 2.988 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.344 11.434 4.219 1.00 0.00 H new ATOM 0 HG2 PRO A 14 10.030 11.051 4.095 1.00 0.00 H new ATOM 0 HG3 PRO A 14 9.198 11.343 5.609 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.173 8.727 4.464 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.242 9.297 6.120 1.00 0.00 H new ATOM 203 N CYS A 15 5.595 8.452 3.189 1.00 0.00 N ATOM 204 CA CYS A 15 5.037 7.517 2.278 1.00 0.00 C ATOM 205 C CYS A 15 5.142 8.029 0.862 1.00 0.00 C ATOM 206 O CYS A 15 4.503 9.014 0.491 1.00 0.00 O ATOM 207 CB CYS A 15 3.580 7.217 2.649 1.00 0.00 C ATOM 208 SG CYS A 15 2.860 5.759 1.814 1.00 0.00 S ATOM 0 H CYS A 15 4.958 9.188 3.493 1.00 0.00 H new ATOM 0 HA CYS A 15 5.602 6.587 2.341 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.518 7.068 3.727 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.972 8.090 2.412 1.00 0.00 H new ATOM 213 N LYS A 16 6.001 7.406 0.096 1.00 0.00 N ATOM 214 CA LYS A 16 6.102 7.692 -1.311 1.00 0.00 C ATOM 215 C LYS A 16 5.350 6.627 -2.034 1.00 0.00 C ATOM 216 O LYS A 16 5.439 5.459 -1.656 1.00 0.00 O ATOM 217 CB LYS A 16 7.553 7.709 -1.828 1.00 0.00 C ATOM 218 CG LYS A 16 8.420 8.874 -1.381 1.00 0.00 C ATOM 219 CD LYS A 16 8.733 8.829 0.091 1.00 0.00 C ATOM 220 CE LYS A 16 9.722 9.924 0.492 1.00 0.00 C ATOM 221 NZ LYS A 16 11.002 9.828 -0.270 1.00 0.00 N ATOM 0 H LYS A 16 6.647 6.690 0.429 1.00 0.00 H new ATOM 0 HA LYS A 16 5.696 8.689 -1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.037 6.784 -1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.527 7.702 -2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.351 8.868 -1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.912 9.810 -1.613 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.812 8.943 0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.147 7.853 0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.270 10.901 0.320 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.929 9.852 1.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.737 10.383 0.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.299 8.833 -0.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.863 10.202 -1.231 1.00 0.00 H new ATOM 235 N GLU A 17 4.621 7.021 -3.041 1.00 0.00 N ATOM 236 CA GLU A 17 3.812 6.111 -3.875 1.00 0.00 C ATOM 237 C GLU A 17 4.597 4.856 -4.315 1.00 0.00 C ATOM 238 O GLU A 17 4.144 3.724 -4.114 1.00 0.00 O ATOM 239 CB GLU A 17 3.255 6.860 -5.106 1.00 0.00 C ATOM 240 CG GLU A 17 4.313 7.664 -5.851 1.00 0.00 C ATOM 241 CD GLU A 17 3.856 8.239 -7.156 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.263 7.710 -8.214 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.119 9.243 -7.158 1.00 0.00 O ATOM 0 H GLU A 17 4.557 7.998 -3.328 1.00 0.00 H new ATOM 0 HA GLU A 17 2.982 5.766 -3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.808 6.139 -5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.458 7.531 -4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.651 8.478 -5.209 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.175 7.023 -6.034 1.00 0.00 H new ATOM 250 N LYS A 18 5.793 5.062 -4.838 1.00 0.00 N ATOM 251 CA LYS A 18 6.603 3.974 -5.352 1.00 0.00 C ATOM 252 C LYS A 18 7.180 3.126 -4.223 1.00 0.00 C ATOM 253 O LYS A 18 7.243 1.891 -4.321 1.00 0.00 O ATOM 254 CB LYS A 18 7.699 4.519 -6.257 1.00 0.00 C ATOM 255 CG LYS A 18 7.169 5.225 -7.498 1.00 0.00 C ATOM 256 CD LYS A 18 8.290 5.842 -8.310 1.00 0.00 C ATOM 257 CE LYS A 18 7.761 6.549 -9.551 1.00 0.00 C ATOM 258 NZ LYS A 18 6.828 7.659 -9.229 1.00 0.00 N ATOM 0 H LYS A 18 6.227 5.982 -4.918 1.00 0.00 H new ATOM 0 HA LYS A 18 5.963 3.320 -5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.316 5.215 -5.688 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.346 3.698 -6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.620 4.514 -8.116 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.463 6.001 -7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.839 6.553 -7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.995 5.066 -8.606 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.600 6.941 -10.125 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.251 5.825 -10.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.633 8.209 -10.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.938 7.268 -8.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.259 8.278 -8.513 1.00 0.00 H new ATOM 272 N ALA A 19 7.565 3.777 -3.135 1.00 0.00 N ATOM 273 CA ALA A 19 8.103 3.078 -1.972 1.00 0.00 C ATOM 274 C ALA A 19 7.011 2.246 -1.320 1.00 0.00 C ATOM 275 O ALA A 19 7.248 1.125 -0.916 1.00 0.00 O ATOM 276 CB ALA A 19 8.699 4.060 -0.972 1.00 0.00 C ATOM 0 H ALA A 19 7.516 4.790 -3.031 1.00 0.00 H new ATOM 0 HA ALA A 19 8.903 2.416 -2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.093 3.513 -0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.505 4.619 -1.447 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.926 4.752 -0.637 1.00 0.00 H new ATOM 282 N CYS A 20 5.817 2.798 -1.270 1.00 0.00 N ATOM 283 CA CYS A 20 4.644 2.127 -0.721 1.00 0.00 C ATOM 284 C CYS A 20 4.385 0.838 -1.498 1.00 0.00 C ATOM 285 O CYS A 20 4.293 -0.244 -0.918 1.00 0.00 O ATOM 286 CB CYS A 20 3.430 3.068 -0.800 1.00 0.00 C ATOM 287 SG CYS A 20 1.863 2.387 -0.179 1.00 0.00 S ATOM 0 H CYS A 20 5.625 3.739 -1.613 1.00 0.00 H new ATOM 0 HA CYS A 20 4.817 1.873 0.325 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.659 3.974 -0.239 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.290 3.364 -1.840 1.00 0.00 H new ATOM 292 N LYS A 21 4.375 0.959 -2.826 1.00 0.00 N ATOM 293 CA LYS A 21 4.160 -0.163 -3.736 1.00 0.00 C ATOM 294 C LYS A 21 5.215 -1.258 -3.491 1.00 0.00 C ATOM 295 O LYS A 21 4.927 -2.454 -3.558 1.00 0.00 O ATOM 296 CB LYS A 21 4.251 0.357 -5.176 1.00 0.00 C ATOM 297 CG LYS A 21 3.760 -0.602 -6.242 1.00 0.00 C ATOM 298 CD LYS A 21 3.853 0.038 -7.619 1.00 0.00 C ATOM 299 CE LYS A 21 3.145 -0.779 -8.699 1.00 0.00 C ATOM 300 NZ LYS A 21 3.669 -2.157 -8.829 1.00 0.00 N ATOM 0 H LYS A 21 4.518 1.849 -3.304 1.00 0.00 H new ATOM 0 HA LYS A 21 3.177 -0.600 -3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.676 1.280 -5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.290 0.610 -5.389 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.354 -1.516 -6.219 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.728 -0.887 -6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.418 1.037 -7.581 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.902 0.158 -7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.080 -0.823 -8.472 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.246 -0.268 -9.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.454 -2.522 -9.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.699 -2.152 -8.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.223 -2.767 -8.114 1.00 0.00 H new ATOM 314 N SER A 22 6.404 -0.823 -3.155 1.00 0.00 N ATOM 315 CA SER A 22 7.516 -1.698 -2.898 1.00 0.00 C ATOM 316 C SER A 22 7.409 -2.375 -1.508 1.00 0.00 C ATOM 317 O SER A 22 7.590 -3.598 -1.391 1.00 0.00 O ATOM 318 CB SER A 22 8.805 -0.892 -3.042 1.00 0.00 C ATOM 319 OG SER A 22 8.878 -0.320 -4.354 1.00 0.00 O ATOM 0 H SER A 22 6.628 0.167 -3.051 1.00 0.00 H new ATOM 0 HA SER A 22 7.514 -2.511 -3.624 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.837 -0.104 -2.290 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.668 -1.535 -2.867 1.00 0.00 H new ATOM 0 HG SER A 22 8.214 0.396 -4.436 1.00 0.00 H new ATOM 325 N VAL A 23 7.089 -1.593 -0.479 1.00 0.00 N ATOM 326 CA VAL A 23 6.966 -2.104 0.893 1.00 0.00 C ATOM 327 C VAL A 23 5.753 -3.037 1.011 1.00 0.00 C ATOM 328 O VAL A 23 5.777 -4.046 1.756 1.00 0.00 O ATOM 329 CB VAL A 23 6.874 -0.947 1.940 1.00 0.00 C ATOM 330 CG1 VAL A 23 6.731 -1.487 3.351 1.00 0.00 C ATOM 331 CG2 VAL A 23 8.100 -0.059 1.864 1.00 0.00 C ATOM 0 H VAL A 23 6.908 -0.593 -0.567 1.00 0.00 H new ATOM 0 HA VAL A 23 7.870 -2.671 1.114 1.00 0.00 H new ATOM 0 HB VAL A 23 5.987 -0.362 1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.670 -0.656 4.054 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.825 -2.089 3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.596 -2.105 3.594 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.017 0.740 2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.992 -0.651 2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.175 0.374 0.866 1.00 0.00 H new ATOM 341 N CYS A 24 4.717 -2.731 0.261 1.00 0.00 N ATOM 342 CA CYS A 24 3.550 -3.578 0.205 1.00 0.00 C ATOM 343 C CYS A 24 3.885 -4.988 -0.220 1.00 0.00 C ATOM 344 O CYS A 24 3.374 -5.921 0.359 1.00 0.00 O ATOM 345 CB CYS A 24 2.449 -2.982 -0.656 1.00 0.00 C ATOM 346 SG CYS A 24 1.572 -1.630 0.162 1.00 0.00 S ATOM 0 H CYS A 24 4.661 -1.896 -0.322 1.00 0.00 H new ATOM 0 HA CYS A 24 3.165 -3.635 1.223 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.881 -2.617 -1.588 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.737 -3.764 -0.919 1.00 0.00 H new ATOM 351 N LYS A 25 4.813 -5.141 -1.173 1.00 0.00 N ATOM 352 CA LYS A 25 5.220 -6.472 -1.632 1.00 0.00 C ATOM 353 C LYS A 25 6.053 -7.196 -0.575 1.00 0.00 C ATOM 354 O LYS A 25 6.171 -8.432 -0.592 1.00 0.00 O ATOM 355 CB LYS A 25 6.010 -6.411 -2.936 1.00 0.00 C ATOM 356 CG LYS A 25 5.237 -5.901 -4.144 1.00 0.00 C ATOM 357 CD LYS A 25 6.058 -6.055 -5.425 1.00 0.00 C ATOM 358 CE LYS A 25 6.315 -7.532 -5.755 1.00 0.00 C ATOM 359 NZ LYS A 25 7.201 -7.702 -6.920 1.00 0.00 N ATOM 0 H LYS A 25 5.291 -4.368 -1.636 1.00 0.00 H new ATOM 0 HA LYS A 25 4.299 -7.028 -1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.879 -5.771 -2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.385 -7.409 -3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.301 -6.451 -4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.977 -4.852 -3.998 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.532 -5.582 -6.254 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.010 -5.535 -5.313 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.760 -8.023 -4.889 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.364 -8.029 -5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.344 -8.716 -7.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.767 -7.258 -7.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.119 -7.252 -6.727 1.00 0.00 H new ATOM 373 N GLU A 26 6.642 -6.427 0.322 1.00 0.00 N ATOM 374 CA GLU A 26 7.439 -6.967 1.408 1.00 0.00 C ATOM 375 C GLU A 26 6.525 -7.593 2.435 1.00 0.00 C ATOM 376 O GLU A 26 6.747 -8.722 2.888 1.00 0.00 O ATOM 377 CB GLU A 26 8.250 -5.860 2.086 1.00 0.00 C ATOM 378 CG GLU A 26 9.240 -5.160 1.193 1.00 0.00 C ATOM 379 CD GLU A 26 10.318 -6.079 0.722 1.00 0.00 C ATOM 380 OE1 GLU A 26 10.293 -6.495 -0.444 1.00 0.00 O ATOM 381 OE2 GLU A 26 11.216 -6.400 1.520 1.00 0.00 O ATOM 0 H GLU A 26 6.581 -5.409 0.318 1.00 0.00 H new ATOM 0 HA GLU A 26 8.122 -7.712 0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.560 -5.119 2.489 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.787 -6.289 2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.719 -4.742 0.332 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.686 -4.324 1.732 1.00 0.00 H new ATOM 388 N HIS A 27 5.505 -6.860 2.814 1.00 0.00 N ATOM 389 CA HIS A 27 4.562 -7.349 3.813 1.00 0.00 C ATOM 390 C HIS A 27 3.597 -8.355 3.204 1.00 0.00 C ATOM 391 O HIS A 27 3.397 -9.447 3.742 1.00 0.00 O ATOM 392 CB HIS A 27 3.803 -6.190 4.499 1.00 0.00 C ATOM 393 CG HIS A 27 4.680 -5.295 5.334 1.00 0.00 C ATOM 394 ND1 HIS A 27 4.705 -5.295 6.716 1.00 0.00 N ATOM 395 CD2 HIS A 27 5.582 -4.363 4.952 1.00 0.00 C ATOM 396 CE1 HIS A 27 5.602 -4.390 7.119 1.00 0.00 C ATOM 397 NE2 HIS A 27 6.168 -3.792 6.081 1.00 0.00 N ATOM 0 H HIS A 27 5.301 -5.928 2.453 1.00 0.00 H new ATOM 0 HA HIS A 27 5.138 -7.859 4.585 1.00 0.00 H new ATOM 0 HB2 HIS A 27 3.310 -5.589 3.735 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.019 -6.606 5.131 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.813 -4.101 3.930 1.00 0.00 H new ATOM 0 HE1 HIS A 27 5.834 -4.175 8.152 1.00 0.00 H new ATOM 0 HE2 HIS A 27 6.883 -3.065 6.103 1.00 0.00 H new ATOM 405 N TYR A 28 3.052 -8.011 2.071 1.00 0.00 N ATOM 406 CA TYR A 28 2.099 -8.842 1.387 1.00 0.00 C ATOM 407 C TYR A 28 2.714 -9.237 0.058 1.00 0.00 C ATOM 408 O TYR A 28 2.844 -8.414 -0.839 1.00 0.00 O ATOM 409 CB TYR A 28 0.794 -8.056 1.161 1.00 0.00 C ATOM 410 CG TYR A 28 0.244 -7.408 2.418 1.00 0.00 C ATOM 411 CD1 TYR A 28 -0.516 -8.125 3.323 1.00 0.00 C ATOM 412 CD2 TYR A 28 0.505 -6.071 2.700 1.00 0.00 C ATOM 413 CE1 TYR A 28 -1.000 -7.537 4.470 1.00 0.00 C ATOM 414 CE2 TYR A 28 0.023 -5.477 3.845 1.00 0.00 C ATOM 415 CZ TYR A 28 -0.727 -6.215 4.726 1.00 0.00 C ATOM 416 OH TYR A 28 -1.208 -5.629 5.866 1.00 0.00 O ATOM 0 H TYR A 28 3.259 -7.136 1.590 1.00 0.00 H new ATOM 0 HA TYR A 28 1.862 -9.730 1.974 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.971 -7.283 0.413 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.041 -8.730 0.752 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.734 -9.164 3.127 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.096 -5.489 2.009 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.592 -8.113 5.166 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.234 -4.437 4.048 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.657 -4.850 6.091 1.00 0.00 H new ATOM 426 N HIS A 29 3.103 -10.475 -0.071 1.00 0.00 N ATOM 427 CA HIS A 29 3.837 -10.915 -1.256 1.00 0.00 C ATOM 428 C HIS A 29 2.985 -10.936 -2.508 1.00 0.00 C ATOM 429 O HIS A 29 3.501 -10.856 -3.617 1.00 0.00 O ATOM 430 CB HIS A 29 4.526 -12.263 -1.040 1.00 0.00 C ATOM 431 CG HIS A 29 5.582 -12.245 0.030 1.00 0.00 C ATOM 432 ND1 HIS A 29 6.402 -11.163 0.292 1.00 0.00 N ATOM 433 CD2 HIS A 29 5.934 -13.199 0.921 1.00 0.00 C ATOM 434 CE1 HIS A 29 7.205 -11.486 1.299 1.00 0.00 C ATOM 435 NE2 HIS A 29 6.965 -12.716 1.721 1.00 0.00 N ATOM 0 H HIS A 29 2.932 -11.206 0.620 1.00 0.00 H new ATOM 0 HA HIS A 29 4.612 -10.165 -1.414 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.773 -13.007 -0.780 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.979 -12.582 -1.978 1.00 0.00 H new ATOM 0 HD1 HIS A 29 6.392 -10.271 -0.203 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.487 -14.179 0.999 1.00 0.00 H new ATOM 0 HE1 HIS A 29 7.955 -10.831 1.718 1.00 0.00 H new ATOM 443 N HIS A 30 1.690 -10.999 -2.335 1.00 0.00 N ATOM 444 CA HIS A 30 0.794 -11.027 -3.467 1.00 0.00 C ATOM 445 C HIS A 30 0.237 -9.634 -3.739 1.00 0.00 C ATOM 446 O HIS A 30 -0.759 -9.472 -4.450 1.00 0.00 O ATOM 447 CB HIS A 30 -0.335 -12.044 -3.256 1.00 0.00 C ATOM 448 CG HIS A 30 0.144 -13.456 -3.061 1.00 0.00 C ATOM 449 ND1 HIS A 30 0.035 -14.153 -1.876 1.00 0.00 N ATOM 450 CD2 HIS A 30 0.717 -14.307 -3.939 1.00 0.00 C ATOM 451 CE1 HIS A 30 0.534 -15.376 -2.061 1.00 0.00 C ATOM 452 NE2 HIS A 30 0.966 -15.525 -3.305 1.00 0.00 N ATOM 0 H HIS A 30 1.231 -11.032 -1.425 1.00 0.00 H new ATOM 0 HA HIS A 30 1.360 -11.345 -4.342 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -0.921 -11.746 -2.386 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -1.004 -12.013 -4.116 1.00 0.00 H new ATOM 0 HD2 HIS A 30 0.946 -14.081 -4.970 1.00 0.00 H new ATOM 0 HE1 HIS A 30 0.580 -16.141 -1.300 1.00 0.00 H new ATOM 0 HE2 HIS A 30 1.392 -16.357 -3.714 1.00 0.00 H new ATOM 460 N ALA A 31 0.885 -8.626 -3.176 1.00 0.00 N ATOM 461 CA ALA A 31 0.505 -7.259 -3.432 1.00 0.00 C ATOM 462 C ALA A 31 1.129 -6.817 -4.727 1.00 0.00 C ATOM 463 O ALA A 31 2.255 -7.210 -5.054 1.00 0.00 O ATOM 464 CB ALA A 31 0.931 -6.336 -2.302 1.00 0.00 C ATOM 0 H ALA A 31 1.675 -8.736 -2.540 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.582 -7.206 -3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.627 -5.315 -2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.458 -6.655 -1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.014 -6.375 -2.189 1.00 0.00 H new ATOM 470 N CYS A 32 0.414 -6.044 -5.463 1.00 0.00 N ATOM 471 CA CYS A 32 0.878 -5.560 -6.730 1.00 0.00 C ATOM 472 C CYS A 32 1.042 -4.048 -6.705 1.00 0.00 C ATOM 473 O CYS A 32 2.065 -3.520 -7.137 1.00 0.00 O ATOM 474 CB CYS A 32 -0.070 -6.031 -7.837 1.00 0.00 C ATOM 475 SG CYS A 32 -1.828 -5.895 -7.371 1.00 0.00 S ATOM 0 H CYS A 32 -0.520 -5.722 -5.208 1.00 0.00 H new ATOM 0 HA CYS A 32 1.865 -5.972 -6.940 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.109 -5.442 -8.737 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.156 -7.068 -8.085 1.00 0.00 H new ATOM 480 N LYS A 33 0.078 -3.351 -6.141 1.00 0.00 N ATOM 481 CA LYS A 33 0.145 -1.910 -6.087 1.00 0.00 C ATOM 482 C LYS A 33 0.116 -1.443 -4.629 1.00 0.00 C ATOM 483 O LYS A 33 -0.396 -2.138 -3.771 1.00 0.00 O ATOM 484 CB LYS A 33 -1.019 -1.255 -6.887 1.00 0.00 C ATOM 485 CG LYS A 33 -0.961 0.271 -6.878 1.00 0.00 C ATOM 486 CD LYS A 33 -2.191 0.938 -7.463 1.00 0.00 C ATOM 487 CE LYS A 33 -2.093 2.438 -7.231 1.00 0.00 C ATOM 488 NZ LYS A 33 -3.279 3.191 -7.678 1.00 0.00 N ATOM 0 H LYS A 33 -0.756 -3.758 -5.717 1.00 0.00 H new ATOM 0 HA LYS A 33 1.081 -1.596 -6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.989 -1.609 -7.918 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.970 -1.580 -6.466 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.828 0.613 -5.852 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.084 0.594 -7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.264 0.725 -8.530 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.093 0.542 -6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.938 2.622 -6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.215 2.820 -7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.303 4.116 -7.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.233 3.332 -8.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.139 2.657 -7.440 1.00 0.00 H new ATOM 502 N GLY A 34 0.685 -0.300 -4.372 1.00 0.00 N ATOM 503 CA GLY A 34 0.625 0.317 -3.082 1.00 0.00 C ATOM 504 C GLY A 34 0.460 1.786 -3.303 1.00 0.00 C ATOM 505 O GLY A 34 1.046 2.316 -4.255 1.00 0.00 O ATOM 0 H GLY A 34 1.210 0.235 -5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.208 -0.081 -2.503 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.533 0.113 -2.515 1.00 0.00 H new ATOM 509 N GLU A 35 -0.352 2.438 -2.514 1.00 0.00 N ATOM 510 CA GLU A 35 -0.571 3.853 -2.693 1.00 0.00 C ATOM 511 C GLU A 35 -0.755 4.524 -1.344 1.00 0.00 C ATOM 512 O GLU A 35 -1.348 3.952 -0.428 1.00 0.00 O ATOM 513 CB GLU A 35 -1.787 4.112 -3.581 1.00 0.00 C ATOM 514 CG GLU A 35 -1.881 5.535 -4.079 1.00 0.00 C ATOM 515 CD GLU A 35 -3.119 5.799 -4.886 1.00 0.00 C ATOM 516 OE1 GLU A 35 -4.045 6.450 -4.375 1.00 0.00 O ATOM 517 OE2 GLU A 35 -3.193 5.380 -6.054 1.00 0.00 O ATOM 0 H GLU A 35 -0.872 2.017 -1.744 1.00 0.00 H new ATOM 0 HA GLU A 35 0.304 4.275 -3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.751 3.438 -4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.692 3.871 -3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.859 6.214 -3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.004 5.759 -4.687 1.00 0.00 H new ATOM 524 N CYS A 36 -0.259 5.724 -1.235 1.00 0.00 N ATOM 525 CA CYS A 36 -0.318 6.473 -0.011 1.00 0.00 C ATOM 526 C CYS A 36 -1.559 7.348 0.009 1.00 0.00 C ATOM 527 O CYS A 36 -1.809 8.113 -0.943 1.00 0.00 O ATOM 528 CB CYS A 36 0.926 7.334 0.095 1.00 0.00 C ATOM 529 SG CYS A 36 2.463 6.387 -0.073 1.00 0.00 S ATOM 0 H CYS A 36 0.202 6.215 -2.001 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.367 5.788 0.836 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.895 8.104 -0.676 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.925 7.846 1.057 1.00 0.00 H new ATOM 534 N GLU A 37 -2.342 7.234 1.061 1.00 0.00 N ATOM 535 CA GLU A 37 -3.551 8.027 1.215 1.00 0.00 C ATOM 536 C GLU A 37 -3.652 8.510 2.639 1.00 0.00 C ATOM 537 O GLU A 37 -3.210 7.826 3.552 1.00 0.00 O ATOM 538 CB GLU A 37 -4.806 7.218 0.884 1.00 0.00 C ATOM 539 CG GLU A 37 -4.842 6.644 -0.513 1.00 0.00 C ATOM 540 CD GLU A 37 -6.174 6.044 -0.841 1.00 0.00 C ATOM 541 OE1 GLU A 37 -6.427 4.871 -0.497 1.00 0.00 O ATOM 542 OE2 GLU A 37 -7.002 6.732 -1.466 1.00 0.00 O ATOM 0 H GLU A 37 -2.162 6.592 1.833 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.489 8.866 0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.893 6.400 1.600 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.679 7.856 1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.611 7.429 -1.233 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.068 5.883 -0.612 1.00 0.00 H new ATOM 549 N TYR A 38 -4.204 9.667 2.832 1.00 0.00 N ATOM 550 CA TYR A 38 -4.388 10.188 4.158 1.00 0.00 C ATOM 551 C TYR A 38 -5.675 9.689 4.744 1.00 0.00 C ATOM 552 O TYR A 38 -6.730 9.766 4.120 1.00 0.00 O ATOM 553 CB TYR A 38 -4.325 11.720 4.204 1.00 0.00 C ATOM 554 CG TYR A 38 -2.931 12.275 4.036 1.00 0.00 C ATOM 555 CD1 TYR A 38 -2.424 12.579 2.789 1.00 0.00 C ATOM 556 CD2 TYR A 38 -2.117 12.482 5.139 1.00 0.00 C ATOM 557 CE1 TYR A 38 -1.148 13.069 2.646 1.00 0.00 C ATOM 558 CE2 TYR A 38 -0.840 12.975 5.005 1.00 0.00 C ATOM 559 CZ TYR A 38 -0.359 13.267 3.757 1.00 0.00 C ATOM 560 OH TYR A 38 0.923 13.753 3.615 1.00 0.00 O ATOM 0 H TYR A 38 -4.539 10.275 2.085 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.558 9.823 4.763 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.965 12.125 3.420 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.731 12.063 5.156 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.038 12.430 1.913 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.494 12.251 6.125 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.764 13.299 1.663 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.222 13.130 5.877 1.00 0.00 H new ATOM 0 HH TYR A 38 1.342 13.834 4.497 1.00 0.00 H new ATOM 570 N HIS A 39 -5.575 9.122 5.895 1.00 0.00 N ATOM 571 CA HIS A 39 -6.717 8.652 6.633 1.00 0.00 C ATOM 572 C HIS A 39 -6.656 9.256 7.980 1.00 0.00 C ATOM 573 O HIS A 39 -5.752 8.964 8.764 1.00 0.00 O ATOM 574 CB HIS A 39 -6.792 7.116 6.692 1.00 0.00 C ATOM 575 CG HIS A 39 -7.430 6.487 5.478 1.00 0.00 C ATOM 576 ND1 HIS A 39 -7.532 7.105 4.247 1.00 0.00 N ATOM 577 CD2 HIS A 39 -8.053 5.292 5.343 1.00 0.00 C ATOM 578 CE1 HIS A 39 -8.193 6.301 3.427 1.00 0.00 C ATOM 579 NE2 HIS A 39 -8.538 5.175 4.040 1.00 0.00 N ATOM 0 H HIS A 39 -4.685 8.964 6.367 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.632 8.957 6.125 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.784 6.717 6.808 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.355 6.823 7.578 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -7.161 8.025 4.009 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.158 4.549 6.120 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.421 6.531 2.397 1.00 0.00 H new ATOM 587 N GLY A 40 -7.565 10.136 8.238 1.00 0.00 N ATOM 588 CA GLY A 40 -7.514 10.876 9.441 1.00 0.00 C ATOM 589 C GLY A 40 -6.547 12.004 9.264 1.00 0.00 C ATOM 590 O GLY A 40 -6.864 13.010 8.602 1.00 0.00 O ATOM 0 H GLY A 40 -8.351 10.356 7.627 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.503 11.260 9.691 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.202 10.236 10.266 1.00 0.00 H new ATOM 594 N ARG A 41 -5.351 11.843 9.796 1.00 0.00 N ATOM 595 CA ARG A 41 -4.329 12.861 9.660 1.00 0.00 C ATOM 596 C ARG A 41 -3.039 12.301 9.073 1.00 0.00 C ATOM 597 O ARG A 41 -2.319 13.002 8.363 1.00 0.00 O ATOM 598 CB ARG A 41 -4.047 13.564 10.991 1.00 0.00 C ATOM 599 CG ARG A 41 -5.261 14.241 11.621 1.00 0.00 C ATOM 600 CD ARG A 41 -5.979 15.153 10.634 1.00 0.00 C ATOM 601 NE ARG A 41 -5.097 16.142 10.016 1.00 0.00 N ATOM 602 CZ ARG A 41 -4.930 16.314 8.687 1.00 0.00 C ATOM 603 NH1 ARG A 41 -5.511 15.483 7.808 1.00 0.00 N ATOM 604 NH2 ARG A 41 -4.166 17.292 8.249 1.00 0.00 N ATOM 0 H ARG A 41 -5.064 11.019 10.325 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.722 13.600 8.962 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.648 12.834 11.695 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.270 14.313 10.834 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.953 13.481 11.983 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.944 14.822 12.487 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.435 14.545 9.853 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.789 15.670 11.150 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.565 16.751 10.638 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.087 14.710 8.141 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.377 15.624 6.807 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.704 17.915 8.912 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.036 17.427 7.246 1.00 0.00 H new ATOM 618 N GLU A 42 -2.754 11.052 9.363 1.00 0.00 N ATOM 619 CA GLU A 42 -1.542 10.417 8.870 1.00 0.00 C ATOM 620 C GLU A 42 -1.760 9.810 7.503 1.00 0.00 C ATOM 621 O GLU A 42 -2.901 9.536 7.095 1.00 0.00 O ATOM 622 CB GLU A 42 -1.066 9.330 9.815 1.00 0.00 C ATOM 623 CG GLU A 42 -0.654 9.813 11.182 1.00 0.00 C ATOM 624 CD GLU A 42 -0.225 8.672 12.049 1.00 0.00 C ATOM 625 OE1 GLU A 42 0.982 8.411 12.150 1.00 0.00 O ATOM 626 OE2 GLU A 42 -1.101 7.975 12.606 1.00 0.00 O ATOM 0 H GLU A 42 -3.343 10.450 9.939 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.783 11.196 8.804 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.862 8.595 9.930 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.221 8.816 9.357 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.162 10.529 11.087 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.486 10.338 11.652 1.00 0.00 H new ATOM 633 N VAL A 43 -0.680 9.586 6.808 1.00 0.00 N ATOM 634 CA VAL A 43 -0.734 8.978 5.516 1.00 0.00 C ATOM 635 C VAL A 43 -0.486 7.479 5.659 1.00 0.00 C ATOM 636 O VAL A 43 0.478 7.045 6.300 1.00 0.00 O ATOM 637 CB VAL A 43 0.261 9.640 4.509 1.00 0.00 C ATOM 638 CG1 VAL A 43 1.707 9.489 4.939 1.00 0.00 C ATOM 639 CG2 VAL A 43 0.054 9.109 3.104 1.00 0.00 C ATOM 0 H VAL A 43 0.261 9.821 7.125 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.727 9.136 5.096 1.00 0.00 H new ATOM 0 HB VAL A 43 0.040 10.707 4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.357 9.966 4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.849 9.962 5.911 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.957 8.430 5.011 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.760 9.588 2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.216 8.031 3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.964 9.325 2.780 1.00 0.00 H new ATOM 649 N HIS A 44 -1.370 6.710 5.120 1.00 0.00 N ATOM 650 CA HIS A 44 -1.308 5.279 5.205 1.00 0.00 C ATOM 651 C HIS A 44 -0.948 4.706 3.857 1.00 0.00 C ATOM 652 O HIS A 44 -1.391 5.214 2.818 1.00 0.00 O ATOM 653 CB HIS A 44 -2.653 4.700 5.687 1.00 0.00 C ATOM 654 CG HIS A 44 -3.011 5.004 7.126 1.00 0.00 C ATOM 655 ND1 HIS A 44 -3.452 4.053 8.015 1.00 0.00 N ATOM 656 CD2 HIS A 44 -3.018 6.177 7.814 1.00 0.00 C ATOM 657 CE1 HIS A 44 -3.707 4.641 9.176 1.00 0.00 C ATOM 658 NE2 HIS A 44 -3.457 5.942 9.115 1.00 0.00 N ATOM 0 H HIS A 44 -2.173 7.058 4.597 1.00 0.00 H new ATOM 0 HA HIS A 44 -0.541 5.005 5.930 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.446 5.083 5.044 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.631 3.618 5.556 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -3.565 3.059 7.815 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.729 7.138 7.415 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.070 4.128 10.055 1.00 0.00 H new ATOM 666 N CYS A 45 -0.120 3.711 3.872 1.00 0.00 N ATOM 667 CA CYS A 45 0.276 3.004 2.683 1.00 0.00 C ATOM 668 C CYS A 45 -0.683 1.844 2.494 1.00 0.00 C ATOM 669 O CYS A 45 -0.690 0.893 3.290 1.00 0.00 O ATOM 670 CB CYS A 45 1.722 2.515 2.849 1.00 0.00 C ATOM 671 SG CYS A 45 2.374 1.448 1.528 1.00 0.00 S ATOM 0 H CYS A 45 0.312 3.355 4.725 1.00 0.00 H new ATOM 0 HA CYS A 45 0.239 3.647 1.803 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.370 3.388 2.934 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.793 1.973 3.792 1.00 0.00 H new ATOM 676 N HIS A 46 -1.542 1.953 1.507 1.00 0.00 N ATOM 677 CA HIS A 46 -2.535 0.953 1.262 1.00 0.00 C ATOM 678 C HIS A 46 -2.042 -0.017 0.231 1.00 0.00 C ATOM 679 O HIS A 46 -1.632 0.377 -0.867 1.00 0.00 O ATOM 680 CB HIS A 46 -3.865 1.584 0.839 1.00 0.00 C ATOM 681 CG HIS A 46 -4.480 2.457 1.898 1.00 0.00 C ATOM 682 ND1 HIS A 46 -5.217 3.591 1.641 1.00 0.00 N ATOM 683 CD2 HIS A 46 -4.464 2.324 3.248 1.00 0.00 C ATOM 684 CE1 HIS A 46 -5.610 4.098 2.808 1.00 0.00 C ATOM 685 NE2 HIS A 46 -5.182 3.366 3.819 1.00 0.00 N ATOM 0 H HIS A 46 -1.566 2.739 0.857 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.716 0.410 2.190 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.706 2.177 -0.062 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.567 0.792 0.580 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -5.425 3.975 0.719 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.971 1.533 3.793 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.203 4.994 2.914 1.00 0.00 H new ATOM 693 N CYS A 47 -2.072 -1.265 0.583 1.00 0.00 N ATOM 694 CA CYS A 47 -1.573 -2.309 -0.261 1.00 0.00 C ATOM 695 C CYS A 47 -2.688 -2.947 -1.053 1.00 0.00 C ATOM 696 O CYS A 47 -3.651 -3.478 -0.482 1.00 0.00 O ATOM 697 CB CYS A 47 -0.862 -3.335 0.593 1.00 0.00 C ATOM 698 SG CYS A 47 0.484 -2.608 1.569 1.00 0.00 S ATOM 0 H CYS A 47 -2.447 -1.592 1.473 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.870 -1.885 -0.978 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -1.580 -3.806 1.264 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.460 -4.121 -0.047 1.00 0.00 H new ATOM 703 N TYR A 48 -2.554 -2.901 -2.348 1.00 0.00 N ATOM 704 CA TYR A 48 -3.525 -3.431 -3.266 1.00 0.00 C ATOM 705 C TYR A 48 -2.991 -4.715 -3.835 1.00 0.00 C ATOM 706 O TYR A 48 -1.785 -4.826 -4.132 1.00 0.00 O ATOM 707 CB TYR A 48 -3.753 -2.472 -4.432 1.00 0.00 C ATOM 708 CG TYR A 48 -4.170 -1.073 -4.060 1.00 0.00 C ATOM 709 CD1 TYR A 48 -5.501 -0.695 -4.057 1.00 0.00 C ATOM 710 CD2 TYR A 48 -3.222 -0.123 -3.734 1.00 0.00 C ATOM 711 CE1 TYR A 48 -5.867 0.594 -3.736 1.00 0.00 C ATOM 712 CE2 TYR A 48 -3.578 1.150 -3.409 1.00 0.00 C ATOM 713 CZ TYR A 48 -4.892 1.511 -3.409 1.00 0.00 C ATOM 714 OH TYR A 48 -5.232 2.793 -3.094 1.00 0.00 O ATOM 0 H TYR A 48 -1.745 -2.483 -2.808 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.462 -3.582 -2.730 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.834 -2.414 -5.015 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -4.517 -2.897 -5.083 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.262 -1.419 -4.309 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -2.177 -0.396 -3.737 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -6.908 0.883 -3.741 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.819 1.874 -3.151 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.798 3.049 -2.253 1.00 0.00 H new ATOM 724 N GLY A 49 -3.841 -5.656 -4.002 1.00 0.00 N ATOM 725 CA GLY A 49 -3.457 -6.904 -4.561 1.00 0.00 C ATOM 726 C GLY A 49 -4.632 -7.782 -4.659 1.00 0.00 C ATOM 727 O GLY A 49 -5.746 -7.341 -4.376 1.00 0.00 O ATOM 0 H GLY A 49 -4.828 -5.587 -3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.020 -6.753 -5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.692 -7.371 -3.942 1.00 0.00 H new ATOM 731 N ASP A 50 -4.429 -8.990 -5.049 1.00 0.00 N ATOM 732 CA ASP A 50 -5.515 -9.913 -5.143 1.00 0.00 C ATOM 733 C ASP A 50 -5.566 -10.711 -3.880 1.00 0.00 C ATOM 734 O ASP A 50 -4.555 -11.294 -3.462 1.00 0.00 O ATOM 735 CB ASP A 50 -5.356 -10.825 -6.343 1.00 0.00 C ATOM 736 CG ASP A 50 -6.575 -11.677 -6.573 1.00 0.00 C ATOM 737 OD1 ASP A 50 -6.557 -12.870 -6.254 1.00 0.00 O ATOM 738 OD2 ASP A 50 -7.574 -11.161 -7.113 1.00 0.00 O ATOM 0 H ASP A 50 -3.519 -9.368 -5.310 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.447 -9.364 -5.276 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.162 -10.224 -7.231 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.488 -11.467 -6.197 1.00 0.00 H new ATOM 743 N TYR A 51 -6.694 -10.704 -3.228 1.00 0.00 N ATOM 744 CA TYR A 51 -6.810 -11.406 -1.993 1.00 0.00 C ATOM 745 C TYR A 51 -7.241 -12.829 -2.254 1.00 0.00 C ATOM 746 O TYR A 51 -8.358 -13.085 -2.719 1.00 0.00 O ATOM 747 CB TYR A 51 -7.782 -10.709 -1.024 1.00 0.00 C ATOM 748 CG TYR A 51 -7.730 -11.272 0.390 1.00 0.00 C ATOM 749 CD1 TYR A 51 -6.945 -10.672 1.365 1.00 0.00 C ATOM 750 CD2 TYR A 51 -8.442 -12.412 0.741 1.00 0.00 C ATOM 751 CE1 TYR A 51 -6.872 -11.190 2.641 1.00 0.00 C ATOM 752 CE2 TYR A 51 -8.373 -12.929 2.012 1.00 0.00 C ATOM 753 CZ TYR A 51 -7.590 -12.319 2.957 1.00 0.00 C ATOM 754 OH TYR A 51 -7.517 -12.852 4.222 1.00 0.00 O ATOM 0 H TYR A 51 -7.539 -10.221 -3.533 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.831 -11.409 -1.513 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.551 -9.644 -0.992 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.798 -10.804 -1.408 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.381 -9.784 1.120 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.060 -12.900 0.002 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.255 -10.712 3.387 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.935 -13.815 2.266 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.087 -13.647 4.275 1.00 0.00 H new ATOM 764 N HIS A 52 -6.360 -13.727 -1.994 1.00 0.00 N ATOM 765 CA HIS A 52 -6.620 -15.123 -2.111 1.00 0.00 C ATOM 766 C HIS A 52 -6.015 -15.825 -0.921 1.00 0.00 C ATOM 767 O HIS A 52 -4.780 -15.848 -0.792 1.00 0.00 O ATOM 768 CB HIS A 52 -6.169 -15.720 -3.488 1.00 0.00 C ATOM 769 CG HIS A 52 -4.735 -15.472 -3.898 1.00 0.00 C ATOM 770 ND1 HIS A 52 -3.738 -16.421 -3.838 1.00 0.00 N ATOM 771 CD2 HIS A 52 -4.156 -14.362 -4.417 1.00 0.00 C ATOM 772 CE1 HIS A 52 -2.612 -15.879 -4.306 1.00 0.00 C ATOM 773 NE2 HIS A 52 -2.811 -14.623 -4.673 1.00 0.00 N ATOM 774 OXT HIS A 52 -6.773 -16.313 -0.065 1.00 0.00 O ATOM 0 H HIS A 52 -5.412 -13.509 -1.686 1.00 0.00 H new ATOM 0 HA HIS A 52 -7.697 -15.288 -2.102 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -6.334 -16.797 -3.463 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.820 -15.316 -4.264 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -4.657 -13.424 -4.603 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.666 -16.395 -4.376 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.122 -13.979 -5.063 1.00 0.00 H new TER 782 HIS A 52