USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 438 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 58 SER OG : rot 180:sc= -1.17 USER MOD Set 1.2: A 59 LYS NZ :NH3+ 161:sc= -0.103 (180deg=-0.471) USER MOD Set 2.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 20 THR OG1 : rot 180:sc= -0.0414 USER MOD Set 3.2: A 23 THR OG1 : rot -99:sc= -0.0149 USER MOD Single : A 1 ASN : amide:sc= -0.401 K(o=-0.4,f=-2.7!) USER MOD Single : A 1 ASN N :NH3+ -110:sc= 0.054 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0.22 X(o=0.22,f=-0.025) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 11 GLN : amide:sc= -0.248 K(o=-0.25,f=0.84) USER MOD Single : A 15 SER OG : rot -134:sc= -0.412! USER MOD Single : A 16 SER OG : rot 180:sc= 0.00614 USER MOD Single : A 19 LYS NZ :NH3+ 141:sc= -0.0225 (180deg=-1.91!) USER MOD Single : A 25 ASN : amide:sc= -1.88! K(o=-1.9!,f=0.2) USER MOD Single : A 26 LYS NZ :NH3+ 163:sc= -0.0452 (180deg=-0.412) USER MOD Single : A 32 LYS NZ :NH3+ 136:sc= -0.063 (180deg=-0.448) USER MOD Single : A 33 LYS NZ :NH3+ -170:sc=-0.00736 (180deg=-0.176) USER MOD Single : A 35 ASN : amide:sc= -2.97! C(o=-3!,f=-7.2!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -21:sc= -0.711 USER MOD Single : A 47 LYS NZ :NH3+ -163:sc= 0.0114 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -165:sc= -0.0522 (180deg=-0.32) USER MOD Single : A 51 SER OG : rot 100:sc= 0.381 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= -0.915 K(o=-0.91,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 33.166 19.525 -11.365 1.00 0.00 N ATOM 2 CA ASN A 1 34.251 20.443 -10.920 1.00 0.00 C ATOM 3 C ASN A 1 35.382 19.634 -10.269 1.00 0.00 C ATOM 4 O ASN A 1 35.159 18.564 -9.734 1.00 0.00 O ATOM 5 CB ASN A 1 33.690 21.457 -9.899 1.00 0.00 C ATOM 6 CG ASN A 1 34.803 22.409 -9.436 1.00 0.00 C ATOM 7 OD1 ASN A 1 35.447 22.193 -8.429 1.00 0.00 O ATOM 8 ND2 ASN A 1 35.062 23.472 -10.148 1.00 0.00 N ATOM 0 H1 ASN A 1 33.149 19.486 -12.404 1.00 0.00 H new ATOM 0 H2 ASN A 1 33.340 18.572 -10.986 1.00 0.00 H new ATOM 0 H3 ASN A 1 32.251 19.875 -11.016 1.00 0.00 H new ATOM 0 HA ASN A 1 34.642 20.979 -11.785 1.00 0.00 H new ATOM 0 HB2 ASN A 1 32.877 22.027 -10.349 1.00 0.00 H new ATOM 0 HB3 ASN A 1 33.272 20.929 -9.042 1.00 0.00 H new ATOM 0 HD21 ASN A 1 35.800 24.113 -9.857 1.00 0.00 H new ATOM 0 HD22 ASN A 1 34.526 23.661 -10.995 1.00 0.00 H new ATOM 17 N PHE A 2 36.564 20.190 -10.343 1.00 0.00 N ATOM 18 CA PHE A 2 37.775 19.536 -9.757 1.00 0.00 C ATOM 19 C PHE A 2 37.891 19.900 -8.266 1.00 0.00 C ATOM 20 O PHE A 2 38.823 20.559 -7.841 1.00 0.00 O ATOM 21 CB PHE A 2 39.011 20.022 -10.530 1.00 0.00 C ATOM 22 CG PHE A 2 38.926 19.614 -12.008 1.00 0.00 C ATOM 23 CD1 PHE A 2 39.203 18.315 -12.394 1.00 0.00 C ATOM 24 CD2 PHE A 2 38.578 20.543 -12.971 1.00 0.00 C ATOM 25 CE1 PHE A 2 39.132 17.950 -13.722 1.00 0.00 C ATOM 26 CE2 PHE A 2 38.506 20.178 -14.300 1.00 0.00 C ATOM 27 CZ PHE A 2 38.783 18.882 -14.676 1.00 0.00 C ATOM 0 H PHE A 2 36.745 21.087 -10.793 1.00 0.00 H new ATOM 0 HA PHE A 2 37.698 18.452 -9.838 1.00 0.00 H new ATOM 0 HB2 PHE A 2 39.091 21.106 -10.452 1.00 0.00 H new ATOM 0 HB3 PHE A 2 39.913 19.603 -10.084 1.00 0.00 H new ATOM 0 HD1 PHE A 2 39.477 17.581 -11.650 1.00 0.00 H new ATOM 0 HD2 PHE A 2 38.361 21.561 -12.681 1.00 0.00 H new ATOM 0 HE1 PHE A 2 39.350 16.934 -14.015 1.00 0.00 H new ATOM 0 HE2 PHE A 2 38.232 20.909 -15.046 1.00 0.00 H new ATOM 0 HZ PHE A 2 38.727 18.597 -15.716 1.00 0.00 H new ATOM 37 N VAL A 3 36.921 19.447 -7.513 1.00 0.00 N ATOM 38 CA VAL A 3 36.895 19.719 -6.041 1.00 0.00 C ATOM 39 C VAL A 3 38.000 18.947 -5.317 1.00 0.00 C ATOM 40 O VAL A 3 38.683 18.122 -5.890 1.00 0.00 O ATOM 41 CB VAL A 3 35.505 19.313 -5.465 1.00 0.00 C ATOM 42 CG1 VAL A 3 34.396 20.133 -6.154 1.00 0.00 C ATOM 43 CG2 VAL A 3 35.236 17.802 -5.678 1.00 0.00 C ATOM 0 H VAL A 3 36.137 18.894 -7.858 1.00 0.00 H new ATOM 0 HA VAL A 3 37.066 20.784 -5.883 1.00 0.00 H new ATOM 0 HB VAL A 3 35.506 19.518 -4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 3 33.426 19.846 -5.748 1.00 0.00 H new ATOM 0 HG12 VAL A 3 34.564 21.195 -5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 3 34.413 19.939 -7.226 1.00 0.00 H new ATOM 0 HG21 VAL A 3 34.260 17.545 -5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 3 35.252 17.576 -6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 3 36.007 17.220 -5.173 1.00 0.00 H new ATOM 53 N CYS A 4 38.117 19.270 -4.058 1.00 0.00 N ATOM 54 CA CYS A 4 39.132 18.639 -3.169 1.00 0.00 C ATOM 55 C CYS A 4 38.498 18.259 -1.819 1.00 0.00 C ATOM 56 O CYS A 4 37.344 18.556 -1.573 1.00 0.00 O ATOM 57 CB CYS A 4 40.243 19.622 -2.916 1.00 0.00 C ATOM 58 SG CYS A 4 41.311 20.246 -4.235 1.00 0.00 S ATOM 0 H CYS A 4 37.533 19.967 -3.596 1.00 0.00 H new ATOM 0 HA CYS A 4 39.516 17.741 -3.654 1.00 0.00 H new ATOM 0 HB2 CYS A 4 39.787 20.493 -2.446 1.00 0.00 H new ATOM 0 HB3 CYS A 4 40.899 19.167 -2.174 1.00 0.00 H new ATOM 63 N PRO A 5 39.274 17.611 -0.980 1.00 0.00 N ATOM 64 CA PRO A 5 39.076 17.631 0.474 1.00 0.00 C ATOM 65 C PRO A 5 39.874 18.764 1.155 1.00 0.00 C ATOM 66 O PRO A 5 40.590 19.489 0.486 1.00 0.00 O ATOM 67 CB PRO A 5 39.635 16.256 0.917 1.00 0.00 C ATOM 68 CG PRO A 5 40.225 15.626 -0.315 1.00 0.00 C ATOM 69 CD PRO A 5 40.431 16.758 -1.283 1.00 0.00 C ATOM 0 HA PRO A 5 38.034 17.803 0.745 1.00 0.00 H new ATOM 0 HB2 PRO A 5 40.391 16.375 1.693 1.00 0.00 H new ATOM 0 HB3 PRO A 5 38.845 15.631 1.334 1.00 0.00 H new ATOM 0 HG2 PRO A 5 41.167 15.127 -0.088 1.00 0.00 H new ATOM 0 HG3 PRO A 5 39.556 14.872 -0.729 1.00 0.00 H new ATOM 0 HD2 PRO A 5 41.377 17.274 -1.117 1.00 0.00 H new ATOM 0 HD3 PRO A 5 40.431 16.418 -2.319 1.00 0.00 H new ATOM 77 N PRO A 6 39.735 18.878 2.458 1.00 0.00 N ATOM 78 CA PRO A 6 40.542 19.805 3.280 1.00 0.00 C ATOM 79 C PRO A 6 42.041 19.683 2.979 1.00 0.00 C ATOM 80 O PRO A 6 42.493 18.616 2.612 1.00 0.00 O ATOM 81 CB PRO A 6 40.248 19.343 4.728 1.00 0.00 C ATOM 82 CG PRO A 6 39.561 18.023 4.579 1.00 0.00 C ATOM 83 CD PRO A 6 38.790 18.137 3.317 1.00 0.00 C ATOM 0 HA PRO A 6 40.291 20.849 3.090 1.00 0.00 H new ATOM 0 HB2 PRO A 6 41.167 19.247 5.306 1.00 0.00 H new ATOM 0 HB3 PRO A 6 39.616 20.061 5.251 1.00 0.00 H new ATOM 0 HG2 PRO A 6 40.281 17.206 4.530 1.00 0.00 H new ATOM 0 HG3 PRO A 6 38.906 17.820 5.426 1.00 0.00 H new ATOM 0 HD2 PRO A 6 38.537 17.161 2.902 1.00 0.00 H new ATOM 0 HD3 PRO A 6 37.853 18.677 3.456 1.00 0.00 H new ATOM 91 N GLY A 7 42.744 20.775 3.140 1.00 0.00 N ATOM 92 CA GLY A 7 44.217 20.780 2.881 1.00 0.00 C ATOM 93 C GLY A 7 44.588 20.828 1.390 1.00 0.00 C ATOM 94 O GLY A 7 45.721 21.124 1.067 1.00 0.00 O ATOM 0 H GLY A 7 42.359 21.670 3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 7 44.661 21.639 3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 7 44.657 19.888 3.326 1.00 0.00 H new ATOM 98 N GLN A 8 43.643 20.545 0.525 1.00 0.00 N ATOM 99 CA GLN A 8 43.911 20.562 -0.947 1.00 0.00 C ATOM 100 C GLN A 8 42.969 21.532 -1.664 1.00 0.00 C ATOM 101 O GLN A 8 41.895 21.837 -1.180 1.00 0.00 O ATOM 102 CB GLN A 8 43.717 19.143 -1.492 1.00 0.00 C ATOM 103 CG GLN A 8 44.706 18.181 -0.830 1.00 0.00 C ATOM 104 CD GLN A 8 44.465 16.758 -1.344 1.00 0.00 C ATOM 105 OE1 GLN A 8 44.977 16.357 -2.370 1.00 0.00 O ATOM 106 NE2 GLN A 8 43.688 15.964 -0.659 1.00 0.00 N ATOM 0 H GLN A 8 42.686 20.300 0.780 1.00 0.00 H new ATOM 0 HA GLN A 8 44.932 20.899 -1.124 1.00 0.00 H new ATOM 0 HB2 GLN A 8 42.696 18.811 -1.306 1.00 0.00 H new ATOM 0 HB3 GLN A 8 43.862 19.138 -2.572 1.00 0.00 H new ATOM 0 HG2 GLN A 8 45.729 18.488 -1.048 1.00 0.00 H new ATOM 0 HG3 GLN A 8 44.588 18.212 0.253 1.00 0.00 H new ATOM 0 HE21 GLN A 8 43.255 16.294 0.203 1.00 0.00 H new ATOM 0 HE22 GLN A 8 43.514 15.014 -0.986 1.00 0.00 H new ATOM 115 N THR A 9 43.421 21.981 -2.806 1.00 0.00 N ATOM 116 CA THR A 9 42.639 22.937 -3.649 1.00 0.00 C ATOM 117 C THR A 9 42.891 22.670 -5.132 1.00 0.00 C ATOM 118 O THR A 9 43.768 21.911 -5.498 1.00 0.00 O ATOM 119 CB THR A 9 43.065 24.373 -3.266 1.00 0.00 C ATOM 120 OG1 THR A 9 42.382 25.260 -4.143 1.00 0.00 O ATOM 121 CG2 THR A 9 44.567 24.612 -3.511 1.00 0.00 C ATOM 0 H THR A 9 44.324 21.718 -3.200 1.00 0.00 H new ATOM 0 HA THR A 9 41.571 22.810 -3.472 1.00 0.00 H new ATOM 0 HB THR A 9 42.839 24.528 -2.211 1.00 0.00 H new ATOM 0 HG1 THR A 9 42.626 26.185 -3.929 1.00 0.00 H new ATOM 0 HG21 THR A 9 44.824 25.633 -3.229 1.00 0.00 H new ATOM 0 HG22 THR A 9 45.149 23.912 -2.911 1.00 0.00 H new ATOM 0 HG23 THR A 9 44.792 24.460 -4.567 1.00 0.00 H new ATOM 129 N PHE A 10 42.096 23.321 -5.940 1.00 0.00 N ATOM 130 CA PHE A 10 42.224 23.162 -7.419 1.00 0.00 C ATOM 131 C PHE A 10 43.583 23.725 -7.839 1.00 0.00 C ATOM 132 O PHE A 10 44.109 24.609 -7.189 1.00 0.00 O ATOM 133 CB PHE A 10 41.096 23.936 -8.128 1.00 0.00 C ATOM 134 CG PHE A 10 41.276 23.778 -9.651 1.00 0.00 C ATOM 135 CD1 PHE A 10 41.211 22.527 -10.232 1.00 0.00 C ATOM 136 CD2 PHE A 10 41.512 24.879 -10.455 1.00 0.00 C ATOM 137 CE1 PHE A 10 41.378 22.374 -11.591 1.00 0.00 C ATOM 138 CE2 PHE A 10 41.679 24.727 -11.816 1.00 0.00 C ATOM 139 CZ PHE A 10 41.613 23.474 -12.386 1.00 0.00 C ATOM 0 H PHE A 10 41.360 23.959 -5.638 1.00 0.00 H new ATOM 0 HA PHE A 10 42.148 22.110 -7.695 1.00 0.00 H new ATOM 0 HB2 PHE A 10 40.123 23.554 -7.820 1.00 0.00 H new ATOM 0 HB3 PHE A 10 41.127 24.990 -7.850 1.00 0.00 H new ATOM 0 HD1 PHE A 10 41.027 21.660 -9.615 1.00 0.00 H new ATOM 0 HD2 PHE A 10 41.566 25.864 -10.014 1.00 0.00 H new ATOM 0 HE1 PHE A 10 41.325 21.390 -12.034 1.00 0.00 H new ATOM 0 HE2 PHE A 10 41.862 25.592 -12.436 1.00 0.00 H new ATOM 0 HZ PHE A 10 41.745 23.355 -13.451 1.00 0.00 H new ATOM 149 N GLN A 11 44.109 23.198 -8.915 1.00 0.00 N ATOM 150 CA GLN A 11 45.433 23.676 -9.400 1.00 0.00 C ATOM 151 C GLN A 11 45.564 23.242 -10.860 1.00 0.00 C ATOM 152 O GLN A 11 45.077 22.192 -11.236 1.00 0.00 O ATOM 153 CB GLN A 11 46.487 23.038 -8.460 1.00 0.00 C ATOM 154 CG GLN A 11 47.914 23.535 -8.750 1.00 0.00 C ATOM 155 CD GLN A 11 48.851 22.986 -7.656 1.00 0.00 C ATOM 156 OE1 GLN A 11 49.908 22.450 -7.924 1.00 0.00 O ATOM 157 NE2 GLN A 11 48.494 23.107 -6.404 1.00 0.00 N ATOM 0 H GLN A 11 43.679 22.461 -9.474 1.00 0.00 H new ATOM 0 HA GLN A 11 45.564 24.758 -9.376 1.00 0.00 H new ATOM 0 HB2 GLN A 11 46.230 23.264 -7.425 1.00 0.00 H new ATOM 0 HB3 GLN A 11 46.455 21.954 -8.566 1.00 0.00 H new ATOM 0 HG2 GLN A 11 48.241 23.198 -9.734 1.00 0.00 H new ATOM 0 HG3 GLN A 11 47.941 24.625 -8.761 1.00 0.00 H new ATOM 0 HE21 GLN A 11 47.609 23.555 -6.167 1.00 0.00 H new ATOM 0 HE22 GLN A 11 49.101 22.753 -5.664 1.00 0.00 H new ATOM 166 N THR A 12 46.222 24.063 -11.638 1.00 0.00 N ATOM 167 CA THR A 12 46.406 23.741 -13.084 1.00 0.00 C ATOM 168 C THR A 12 47.528 22.711 -13.241 1.00 0.00 C ATOM 169 O THR A 12 47.500 21.919 -14.164 1.00 0.00 O ATOM 170 CB THR A 12 46.739 25.059 -13.840 1.00 0.00 C ATOM 171 OG1 THR A 12 46.886 24.673 -15.200 1.00 0.00 O ATOM 172 CG2 THR A 12 48.110 25.647 -13.449 1.00 0.00 C ATOM 0 H THR A 12 46.640 24.942 -11.334 1.00 0.00 H new ATOM 0 HA THR A 12 45.497 23.310 -13.504 1.00 0.00 H new ATOM 0 HB THR A 12 45.964 25.794 -13.624 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.098 25.461 -15.743 1.00 0.00 H new ATOM 0 HG21 THR A 12 48.285 26.565 -14.010 1.00 0.00 H new ATOM 0 HG22 THR A 12 48.121 25.866 -12.381 1.00 0.00 H new ATOM 0 HG23 THR A 12 48.894 24.926 -13.679 1.00 0.00 H new ATOM 180 N CYS A 13 48.476 22.758 -12.333 1.00 0.00 N ATOM 181 CA CYS A 13 49.614 21.799 -12.381 1.00 0.00 C ATOM 182 C CYS A 13 49.650 20.795 -11.232 1.00 0.00 C ATOM 183 O CYS A 13 50.233 21.019 -10.189 1.00 0.00 O ATOM 184 CB CYS A 13 50.957 22.574 -12.422 1.00 0.00 C ATOM 185 SG CYS A 13 51.357 23.326 -14.017 1.00 0.00 S ATOM 0 H CYS A 13 48.505 23.424 -11.561 1.00 0.00 H new ATOM 0 HA CYS A 13 49.464 21.217 -13.290 1.00 0.00 H new ATOM 0 HB2 CYS A 13 50.930 23.357 -11.664 1.00 0.00 H new ATOM 0 HB3 CYS A 13 51.761 21.892 -12.147 1.00 0.00 H new ATOM 190 N ALA A 14 48.993 19.697 -11.502 1.00 0.00 N ATOM 191 CA ALA A 14 48.893 18.566 -10.534 1.00 0.00 C ATOM 192 C ALA A 14 49.456 17.306 -11.202 1.00 0.00 C ATOM 193 O ALA A 14 50.023 17.389 -12.274 1.00 0.00 O ATOM 194 CB ALA A 14 47.412 18.403 -10.152 1.00 0.00 C ATOM 0 H ALA A 14 48.506 19.534 -12.383 1.00 0.00 H new ATOM 0 HA ALA A 14 49.467 18.750 -9.626 1.00 0.00 H new ATOM 0 HB1 ALA A 14 47.307 17.581 -9.443 1.00 0.00 H new ATOM 0 HB2 ALA A 14 47.051 19.324 -9.695 1.00 0.00 H new ATOM 0 HB3 ALA A 14 46.827 18.188 -11.046 1.00 0.00 H new ATOM 200 N SER A 15 49.299 16.170 -10.572 1.00 0.00 N ATOM 201 CA SER A 15 49.834 14.912 -11.176 1.00 0.00 C ATOM 202 C SER A 15 49.410 13.694 -10.354 1.00 0.00 C ATOM 203 O SER A 15 48.884 13.814 -9.264 1.00 0.00 O ATOM 204 CB SER A 15 51.367 14.978 -11.207 1.00 0.00 C ATOM 205 OG SER A 15 51.793 13.808 -11.895 1.00 0.00 O ATOM 0 H SER A 15 48.828 16.059 -9.674 1.00 0.00 H new ATOM 0 HA SER A 15 49.435 14.815 -12.186 1.00 0.00 H new ATOM 0 HB2 SER A 15 51.709 15.878 -11.718 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.777 15.009 -10.198 1.00 0.00 H new ATOM 0 HG SER A 15 52.529 13.388 -11.402 1.00 0.00 H new ATOM 211 N SER A 16 49.668 12.549 -10.933 1.00 0.00 N ATOM 212 CA SER A 16 49.336 11.257 -10.276 1.00 0.00 C ATOM 213 C SER A 16 50.471 10.907 -9.271 1.00 0.00 C ATOM 214 O SER A 16 50.471 9.845 -8.678 1.00 0.00 O ATOM 215 CB SER A 16 49.213 10.173 -11.365 1.00 0.00 C ATOM 216 OG SER A 16 50.482 10.157 -12.007 1.00 0.00 O ATOM 0 H SER A 16 50.103 12.458 -11.851 1.00 0.00 H new ATOM 0 HA SER A 16 48.393 11.321 -9.733 1.00 0.00 H new ATOM 0 HB2 SER A 16 48.977 9.201 -10.931 1.00 0.00 H new ATOM 0 HB3 SER A 16 48.416 10.409 -12.070 1.00 0.00 H new ATOM 0 HG SER A 16 50.480 9.483 -12.718 1.00 0.00 H new ATOM 222 N CYS A 17 51.399 11.830 -9.131 1.00 0.00 N ATOM 223 CA CYS A 17 52.583 11.703 -8.219 1.00 0.00 C ATOM 224 C CYS A 17 52.531 12.653 -6.998 1.00 0.00 C ATOM 225 O CYS A 17 53.296 13.594 -6.921 1.00 0.00 O ATOM 226 CB CYS A 17 53.846 11.951 -9.104 1.00 0.00 C ATOM 227 SG CYS A 17 53.883 13.358 -10.252 1.00 0.00 S ATOM 0 H CYS A 17 51.378 12.713 -9.642 1.00 0.00 H new ATOM 0 HA CYS A 17 52.600 10.709 -7.772 1.00 0.00 H new ATOM 0 HB2 CYS A 17 54.698 12.057 -8.432 1.00 0.00 H new ATOM 0 HB3 CYS A 17 54.014 11.048 -9.691 1.00 0.00 H new ATOM 232 N PRO A 18 51.638 12.380 -6.067 1.00 0.00 N ATOM 233 CA PRO A 18 51.363 13.295 -4.939 1.00 0.00 C ATOM 234 C PRO A 18 52.590 13.565 -4.058 1.00 0.00 C ATOM 235 O PRO A 18 53.424 12.696 -3.886 1.00 0.00 O ATOM 236 CB PRO A 18 50.269 12.576 -4.128 1.00 0.00 C ATOM 237 CG PRO A 18 50.374 11.151 -4.531 1.00 0.00 C ATOM 238 CD PRO A 18 50.787 11.174 -5.972 1.00 0.00 C ATOM 0 HA PRO A 18 51.066 14.278 -5.304 1.00 0.00 H new ATOM 0 HB2 PRO A 18 50.427 12.697 -3.056 1.00 0.00 H new ATOM 0 HB3 PRO A 18 49.281 12.979 -4.352 1.00 0.00 H new ATOM 0 HG2 PRO A 18 51.107 10.623 -3.921 1.00 0.00 H new ATOM 0 HG3 PRO A 18 49.422 10.635 -4.403 1.00 0.00 H new ATOM 0 HD2 PRO A 18 51.335 10.273 -6.247 1.00 0.00 H new ATOM 0 HD3 PRO A 18 49.925 11.238 -6.636 1.00 0.00 H new ATOM 246 N LYS A 19 52.636 14.766 -3.540 1.00 0.00 N ATOM 247 CA LYS A 19 53.756 15.202 -2.658 1.00 0.00 C ATOM 248 C LYS A 19 53.288 14.962 -1.240 1.00 0.00 C ATOM 249 O LYS A 19 52.112 15.051 -0.956 1.00 0.00 O ATOM 250 CB LYS A 19 54.037 16.699 -2.856 1.00 0.00 C ATOM 251 CG LYS A 19 55.521 16.983 -3.210 1.00 0.00 C ATOM 252 CD LYS A 19 55.917 16.572 -4.664 1.00 0.00 C ATOM 253 CE LYS A 19 55.717 15.087 -4.985 1.00 0.00 C ATOM 254 NZ LYS A 19 56.162 14.805 -6.379 1.00 0.00 N ATOM 0 H LYS A 19 51.924 15.479 -3.697 1.00 0.00 H new ATOM 0 HA LYS A 19 54.672 14.656 -2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 19 53.397 17.084 -3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 19 53.774 17.238 -1.946 1.00 0.00 H new ATOM 0 HG2 LYS A 19 55.718 18.047 -3.078 1.00 0.00 H new ATOM 0 HG3 LYS A 19 56.160 16.450 -2.506 1.00 0.00 H new ATOM 0 HD2 LYS A 19 55.331 17.164 -5.367 1.00 0.00 H new ATOM 0 HD3 LYS A 19 56.964 16.828 -4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 19 56.283 14.475 -4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 19 54.667 14.819 -4.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 56.646 13.885 -6.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 55.335 14.782 -7.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 56.816 15.551 -6.692 1.00 0.00 H new ATOM 268 N THR A 20 54.230 14.669 -0.393 1.00 0.00 N ATOM 269 CA THR A 20 53.901 14.405 1.035 1.00 0.00 C ATOM 270 C THR A 20 55.023 14.872 1.965 1.00 0.00 C ATOM 271 O THR A 20 55.991 15.459 1.517 1.00 0.00 O ATOM 272 CB THR A 20 53.688 12.901 1.233 1.00 0.00 C ATOM 273 OG1 THR A 20 54.942 12.304 0.926 1.00 0.00 O ATOM 274 CG2 THR A 20 52.754 12.257 0.187 1.00 0.00 C ATOM 0 H THR A 20 55.220 14.600 -0.628 1.00 0.00 H new ATOM 0 HA THR A 20 52.996 14.960 1.282 1.00 0.00 H new ATOM 0 HB THR A 20 53.281 12.759 2.234 1.00 0.00 H new ATOM 0 HG1 THR A 20 54.877 11.332 1.035 1.00 0.00 H new ATOM 0 HG21 THR A 20 52.654 11.192 0.395 1.00 0.00 H new ATOM 0 HG22 THR A 20 51.773 12.730 0.235 1.00 0.00 H new ATOM 0 HG23 THR A 20 53.174 12.394 -0.809 1.00 0.00 H new ATOM 282 N CYS A 21 54.848 14.590 3.237 1.00 0.00 N ATOM 283 CA CYS A 21 55.882 14.983 4.243 1.00 0.00 C ATOM 284 C CYS A 21 57.222 14.347 3.850 1.00 0.00 C ATOM 285 O CYS A 21 58.278 14.797 4.247 1.00 0.00 O ATOM 286 CB CYS A 21 55.481 14.494 5.637 1.00 0.00 C ATOM 287 SG CYS A 21 54.053 15.236 6.467 1.00 0.00 S ATOM 0 H CYS A 21 54.035 14.106 3.618 1.00 0.00 H new ATOM 0 HA CYS A 21 55.969 16.069 4.263 1.00 0.00 H new ATOM 0 HB2 CYS A 21 55.297 13.422 5.566 1.00 0.00 H new ATOM 0 HB3 CYS A 21 56.343 14.627 6.290 1.00 0.00 H new ATOM 292 N GLU A 22 57.130 13.296 3.077 1.00 0.00 N ATOM 293 CA GLU A 22 58.358 12.590 2.612 1.00 0.00 C ATOM 294 C GLU A 22 59.073 13.473 1.562 1.00 0.00 C ATOM 295 O GLU A 22 60.262 13.704 1.662 1.00 0.00 O ATOM 296 CB GLU A 22 57.938 11.257 1.999 1.00 0.00 C ATOM 297 CG GLU A 22 59.171 10.467 1.509 1.00 0.00 C ATOM 298 CD GLU A 22 58.695 9.146 0.882 1.00 0.00 C ATOM 299 OE1 GLU A 22 58.378 9.192 -0.297 1.00 0.00 O ATOM 300 OE2 GLU A 22 58.674 8.169 1.612 1.00 0.00 O ATOM 0 H GLU A 22 56.252 12.896 2.747 1.00 0.00 H new ATOM 0 HA GLU A 22 59.043 12.406 3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 22 57.393 10.668 2.736 1.00 0.00 H new ATOM 0 HB3 GLU A 22 57.258 11.433 1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 22 59.729 11.053 0.778 1.00 0.00 H new ATOM 0 HG3 GLU A 22 59.847 10.268 2.341 1.00 0.00 H new ATOM 307 N THR A 23 58.315 13.935 0.595 1.00 0.00 N ATOM 308 CA THR A 23 58.871 14.804 -0.498 1.00 0.00 C ATOM 309 C THR A 23 58.565 16.285 -0.303 1.00 0.00 C ATOM 310 O THR A 23 57.975 16.947 -1.136 1.00 0.00 O ATOM 311 CB THR A 23 58.293 14.328 -1.831 1.00 0.00 C ATOM 312 OG1 THR A 23 56.884 14.398 -1.678 1.00 0.00 O ATOM 313 CG2 THR A 23 58.582 12.860 -2.042 1.00 0.00 C ATOM 0 H THR A 23 57.316 13.744 0.514 1.00 0.00 H new ATOM 0 HA THR A 23 59.957 14.710 -0.479 1.00 0.00 H new ATOM 0 HB THR A 23 58.705 14.922 -2.647 1.00 0.00 H new ATOM 0 HG1 THR A 23 56.533 13.507 -1.469 1.00 0.00 H new ATOM 0 HG21 THR A 23 58.163 12.540 -2.996 1.00 0.00 H new ATOM 0 HG22 THR A 23 59.660 12.698 -2.047 1.00 0.00 H new ATOM 0 HG23 THR A 23 58.132 12.281 -1.235 1.00 0.00 H new ATOM 321 N ARG A 24 58.995 16.766 0.826 1.00 0.00 N ATOM 322 CA ARG A 24 58.770 18.203 1.154 1.00 0.00 C ATOM 323 C ARG A 24 59.584 19.159 0.305 1.00 0.00 C ATOM 324 O ARG A 24 59.368 20.356 0.314 1.00 0.00 O ATOM 325 CB ARG A 24 59.104 18.412 2.620 1.00 0.00 C ATOM 326 CG ARG A 24 57.970 17.775 3.427 1.00 0.00 C ATOM 327 CD ARG A 24 58.245 17.802 4.936 1.00 0.00 C ATOM 328 NE ARG A 24 59.423 16.935 5.226 1.00 0.00 N ATOM 329 CZ ARG A 24 59.911 16.840 6.439 1.00 0.00 C ATOM 330 NH1 ARG A 24 59.374 17.512 7.425 1.00 0.00 N ATOM 331 NH2 ARG A 24 60.937 16.060 6.627 1.00 0.00 N ATOM 0 H ARG A 24 59.492 16.230 1.537 1.00 0.00 H new ATOM 0 HA ARG A 24 57.725 18.428 0.940 1.00 0.00 H new ATOM 0 HB2 ARG A 24 60.061 17.952 2.868 1.00 0.00 H new ATOM 0 HB3 ARG A 24 59.192 19.474 2.849 1.00 0.00 H new ATOM 0 HG2 ARG A 24 57.039 18.302 3.220 1.00 0.00 H new ATOM 0 HG3 ARG A 24 57.831 16.743 3.103 1.00 0.00 H new ATOM 0 HD2 ARG A 24 58.437 18.823 5.266 1.00 0.00 H new ATOM 0 HD3 ARG A 24 57.372 17.449 5.485 1.00 0.00 H new ATOM 0 HE ARG A 24 59.856 16.407 4.468 1.00 0.00 H new ATOM 0 HH11 ARG A 24 58.570 18.115 7.253 1.00 0.00 H new ATOM 0 HH12 ARG A 24 59.760 17.433 8.366 1.00 0.00 H new ATOM 0 HH21 ARG A 24 61.337 15.545 5.842 1.00 0.00 H new ATOM 0 HH22 ARG A 24 61.341 15.964 7.559 1.00 0.00 H new ATOM 345 N ASN A 25 60.500 18.571 -0.405 1.00 0.00 N ATOM 346 CA ASN A 25 61.402 19.332 -1.301 1.00 0.00 C ATOM 347 C ASN A 25 60.619 20.165 -2.343 1.00 0.00 C ATOM 348 O ASN A 25 61.132 21.136 -2.864 1.00 0.00 O ATOM 349 CB ASN A 25 62.316 18.307 -1.971 1.00 0.00 C ATOM 350 CG ASN A 25 63.100 17.534 -0.902 1.00 0.00 C ATOM 351 OD1 ASN A 25 64.243 17.828 -0.612 1.00 0.00 O ATOM 352 ND2 ASN A 25 62.519 16.536 -0.292 1.00 0.00 N ATOM 0 H ASN A 25 60.664 17.564 -0.400 1.00 0.00 H new ATOM 0 HA ASN A 25 61.982 20.057 -0.731 1.00 0.00 H new ATOM 0 HB2 ASN A 25 61.724 17.616 -2.572 1.00 0.00 H new ATOM 0 HB3 ASN A 25 63.006 18.809 -2.649 1.00 0.00 H new ATOM 0 HD21 ASN A 25 63.024 16.010 0.421 1.00 0.00 H new ATOM 0 HD22 ASN A 25 61.560 16.282 -0.529 1.00 0.00 H new ATOM 359 N LYS A 26 59.401 19.750 -2.607 1.00 0.00 N ATOM 360 CA LYS A 26 58.507 20.441 -3.585 1.00 0.00 C ATOM 361 C LYS A 26 57.265 20.903 -2.812 1.00 0.00 C ATOM 362 O LYS A 26 56.669 20.142 -2.073 1.00 0.00 O ATOM 363 CB LYS A 26 58.035 19.486 -4.716 1.00 0.00 C ATOM 364 CG LYS A 26 59.155 18.941 -5.647 1.00 0.00 C ATOM 365 CD LYS A 26 60.156 18.020 -4.915 1.00 0.00 C ATOM 366 CE LYS A 26 61.178 17.457 -5.920 1.00 0.00 C ATOM 367 NZ LYS A 26 61.943 18.568 -6.557 1.00 0.00 N ATOM 0 H LYS A 26 58.979 18.932 -2.167 1.00 0.00 H new ATOM 0 HA LYS A 26 59.054 21.265 -4.042 1.00 0.00 H new ATOM 0 HB2 LYS A 26 57.522 18.639 -4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 26 57.302 20.011 -5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 26 58.699 18.391 -6.470 1.00 0.00 H new ATOM 0 HG3 LYS A 26 59.696 19.780 -6.085 1.00 0.00 H new ATOM 0 HD2 LYS A 26 60.671 18.577 -4.132 1.00 0.00 H new ATOM 0 HD3 LYS A 26 59.623 17.203 -4.428 1.00 0.00 H new ATOM 0 HE2 LYS A 26 61.863 16.779 -5.411 1.00 0.00 H new ATOM 0 HE3 LYS A 26 60.664 16.875 -6.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 62.803 18.187 -7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 61.353 19.025 -7.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 62.207 19.267 -5.834 1.00 0.00 H new ATOM 381 N LEU A 27 56.924 22.147 -3.017 1.00 0.00 N ATOM 382 CA LEU A 27 55.733 22.765 -2.342 1.00 0.00 C ATOM 383 C LEU A 27 54.506 22.786 -3.267 1.00 0.00 C ATOM 384 O LEU A 27 53.756 23.739 -3.353 1.00 0.00 O ATOM 385 CB LEU A 27 56.108 24.191 -1.921 1.00 0.00 C ATOM 386 CG LEU A 27 57.309 24.202 -0.927 1.00 0.00 C ATOM 387 CD1 LEU A 27 57.644 25.664 -0.569 1.00 0.00 C ATOM 388 CD2 LEU A 27 56.968 23.437 0.377 1.00 0.00 C ATOM 0 H LEU A 27 57.430 22.779 -3.637 1.00 0.00 H new ATOM 0 HA LEU A 27 55.465 22.168 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 27 56.362 24.776 -2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.247 24.672 -1.457 1.00 0.00 H new ATOM 0 HG LEU A 27 58.157 23.711 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 27 58.483 25.685 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 27 57.910 26.209 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 27 56.776 26.133 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 27 57.826 23.463 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 27 56.113 23.908 0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 27 56.725 22.401 0.138 1.00 0.00 H new ATOM 400 N VAL A 28 54.376 21.672 -3.924 1.00 0.00 N ATOM 401 CA VAL A 28 53.273 21.396 -4.902 1.00 0.00 C ATOM 402 C VAL A 28 53.004 19.909 -4.881 1.00 0.00 C ATOM 403 O VAL A 28 53.815 19.147 -4.397 1.00 0.00 O ATOM 404 CB VAL A 28 53.671 21.800 -6.347 1.00 0.00 C ATOM 405 CG1 VAL A 28 53.851 23.329 -6.446 1.00 0.00 C ATOM 406 CG2 VAL A 28 55.008 21.128 -6.747 1.00 0.00 C ATOM 0 H VAL A 28 55.026 20.893 -3.820 1.00 0.00 H new ATOM 0 HA VAL A 28 52.396 21.977 -4.617 1.00 0.00 H new ATOM 0 HB VAL A 28 52.875 21.473 -7.016 1.00 0.00 H new ATOM 0 HG11 VAL A 28 54.130 23.597 -7.465 1.00 0.00 H new ATOM 0 HG12 VAL A 28 52.916 23.823 -6.184 1.00 0.00 H new ATOM 0 HG13 VAL A 28 54.635 23.648 -5.759 1.00 0.00 H new ATOM 0 HG21 VAL A 28 55.273 21.421 -7.763 1.00 0.00 H new ATOM 0 HG22 VAL A 28 55.794 21.445 -6.061 1.00 0.00 H new ATOM 0 HG23 VAL A 28 54.899 20.044 -6.699 1.00 0.00 H new ATOM 416 N LEU A 29 51.868 19.552 -5.416 1.00 0.00 N ATOM 417 CA LEU A 29 51.468 18.119 -5.466 1.00 0.00 C ATOM 418 C LEU A 29 52.531 17.269 -6.177 1.00 0.00 C ATOM 419 O LEU A 29 52.761 16.125 -5.841 1.00 0.00 O ATOM 420 CB LEU A 29 50.126 18.052 -6.188 1.00 0.00 C ATOM 421 CG LEU A 29 49.598 16.587 -6.235 1.00 0.00 C ATOM 422 CD1 LEU A 29 49.250 16.096 -4.806 1.00 0.00 C ATOM 423 CD2 LEU A 29 48.371 16.491 -7.138 1.00 0.00 C ATOM 0 H LEU A 29 51.194 20.200 -5.824 1.00 0.00 H new ATOM 0 HA LEU A 29 51.377 17.712 -4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 29 49.402 18.689 -5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 29 50.233 18.438 -7.202 1.00 0.00 H new ATOM 0 HG LEU A 29 50.382 15.950 -6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 29 48.882 15.071 -4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 29 50.142 16.133 -4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 29 48.480 16.738 -4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 29 48.015 15.461 -7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 29 47.584 17.139 -6.752 1.00 0.00 H new ATOM 0 HD23 LEU A 29 48.637 16.804 -8.148 1.00 0.00 H new ATOM 435 N CYS A 30 53.135 17.891 -7.147 1.00 0.00 N ATOM 436 CA CYS A 30 54.211 17.253 -7.972 1.00 0.00 C ATOM 437 C CYS A 30 54.710 18.328 -8.952 1.00 0.00 C ATOM 438 O CYS A 30 54.087 19.364 -9.093 1.00 0.00 O ATOM 439 CB CYS A 30 53.656 16.055 -8.770 1.00 0.00 C ATOM 440 SG CYS A 30 54.886 14.956 -9.524 1.00 0.00 S ATOM 0 H CYS A 30 52.923 18.852 -7.416 1.00 0.00 H new ATOM 0 HA CYS A 30 55.011 16.883 -7.331 1.00 0.00 H new ATOM 0 HB2 CYS A 30 53.028 15.462 -8.105 1.00 0.00 H new ATOM 0 HB3 CYS A 30 53.010 16.439 -9.560 1.00 0.00 H new ATOM 445 N ASP A 31 55.812 18.053 -9.602 1.00 0.00 N ATOM 446 CA ASP A 31 56.393 19.034 -10.578 1.00 0.00 C ATOM 447 C ASP A 31 56.629 18.442 -11.978 1.00 0.00 C ATOM 448 O ASP A 31 56.779 19.179 -12.934 1.00 0.00 O ATOM 449 CB ASP A 31 57.716 19.547 -9.968 1.00 0.00 C ATOM 450 CG ASP A 31 58.381 20.575 -10.902 1.00 0.00 C ATOM 451 OD1 ASP A 31 57.940 21.712 -10.859 1.00 0.00 O ATOM 452 OD2 ASP A 31 59.289 20.163 -11.606 1.00 0.00 O ATOM 0 H ASP A 31 56.340 17.186 -9.500 1.00 0.00 H new ATOM 0 HA ASP A 31 55.679 19.843 -10.733 1.00 0.00 H new ATOM 0 HB2 ASP A 31 57.522 20.002 -8.997 1.00 0.00 H new ATOM 0 HB3 ASP A 31 58.393 18.710 -9.799 1.00 0.00 H new ATOM 457 N LYS A 32 56.652 17.138 -12.064 1.00 0.00 N ATOM 458 CA LYS A 32 56.881 16.458 -13.381 1.00 0.00 C ATOM 459 C LYS A 32 55.624 16.386 -14.272 1.00 0.00 C ATOM 460 O LYS A 32 55.655 15.758 -15.313 1.00 0.00 O ATOM 461 CB LYS A 32 57.409 15.032 -13.096 1.00 0.00 C ATOM 462 CG LYS A 32 58.712 15.068 -12.248 1.00 0.00 C ATOM 463 CD LYS A 32 59.848 15.825 -12.985 1.00 0.00 C ATOM 464 CE LYS A 32 61.121 15.826 -12.120 1.00 0.00 C ATOM 465 NZ LYS A 32 61.579 14.430 -11.866 1.00 0.00 N ATOM 0 H LYS A 32 56.521 16.507 -11.274 1.00 0.00 H new ATOM 0 HA LYS A 32 57.604 17.052 -13.940 1.00 0.00 H new ATOM 0 HB2 LYS A 32 56.646 14.459 -12.569 1.00 0.00 H new ATOM 0 HB3 LYS A 32 57.600 14.518 -14.038 1.00 0.00 H new ATOM 0 HG2 LYS A 32 58.512 15.551 -11.292 1.00 0.00 H new ATOM 0 HG3 LYS A 32 59.034 14.050 -12.030 1.00 0.00 H new ATOM 0 HD2 LYS A 32 60.050 15.350 -13.945 1.00 0.00 H new ATOM 0 HD3 LYS A 32 59.539 16.849 -13.194 1.00 0.00 H new ATOM 0 HE2 LYS A 32 61.909 16.388 -12.622 1.00 0.00 H new ATOM 0 HE3 LYS A 32 60.924 16.329 -11.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 62.610 14.375 -11.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 61.333 14.156 -10.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 61.114 13.785 -12.536 1.00 0.00 H new ATOM 479 N LYS A 33 54.559 17.027 -13.851 1.00 0.00 N ATOM 480 CA LYS A 33 53.283 17.018 -14.642 1.00 0.00 C ATOM 481 C LYS A 33 52.312 18.103 -14.191 1.00 0.00 C ATOM 482 O LYS A 33 52.348 18.544 -13.058 1.00 0.00 O ATOM 483 CB LYS A 33 52.669 15.606 -14.497 1.00 0.00 C ATOM 484 CG LYS A 33 51.264 15.501 -15.138 1.00 0.00 C ATOM 485 CD LYS A 33 50.736 14.034 -15.105 1.00 0.00 C ATOM 486 CE LYS A 33 51.675 13.062 -15.851 1.00 0.00 C ATOM 487 NZ LYS A 33 51.835 13.489 -17.270 1.00 0.00 N ATOM 0 H LYS A 33 54.518 17.562 -12.984 1.00 0.00 H new ATOM 0 HA LYS A 33 53.493 17.241 -15.688 1.00 0.00 H new ATOM 0 HB2 LYS A 33 53.332 14.876 -14.961 1.00 0.00 H new ATOM 0 HB3 LYS A 33 52.602 15.349 -13.440 1.00 0.00 H new ATOM 0 HG2 LYS A 33 50.570 16.152 -14.607 1.00 0.00 H new ATOM 0 HG3 LYS A 33 51.305 15.852 -16.169 1.00 0.00 H new ATOM 0 HD2 LYS A 33 50.629 13.711 -14.070 1.00 0.00 H new ATOM 0 HD3 LYS A 33 49.744 13.996 -15.555 1.00 0.00 H new ATOM 0 HE2 LYS A 33 52.648 13.035 -15.360 1.00 0.00 H new ATOM 0 HE3 LYS A 33 51.270 12.051 -15.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 52.326 12.743 -17.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 50.898 13.656 -17.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 52.393 14.366 -17.308 1.00 0.00 H new ATOM 501 N CYS A 34 51.477 18.489 -15.129 1.00 0.00 N ATOM 502 CA CYS A 34 50.455 19.541 -14.869 1.00 0.00 C ATOM 503 C CYS A 34 49.008 19.211 -15.260 1.00 0.00 C ATOM 504 O CYS A 34 48.496 19.585 -16.299 1.00 0.00 O ATOM 505 CB CYS A 34 50.863 20.832 -15.589 1.00 0.00 C ATOM 506 SG CYS A 34 52.268 21.782 -14.958 1.00 0.00 S ATOM 0 H CYS A 34 51.465 18.110 -16.076 1.00 0.00 H new ATOM 0 HA CYS A 34 50.444 19.637 -13.783 1.00 0.00 H new ATOM 0 HB2 CYS A 34 51.078 20.576 -16.627 1.00 0.00 H new ATOM 0 HB3 CYS A 34 49.996 21.493 -15.597 1.00 0.00 H new ATOM 511 N ASN A 35 48.412 18.495 -14.355 1.00 0.00 N ATOM 512 CA ASN A 35 46.987 18.050 -14.486 1.00 0.00 C ATOM 513 C ASN A 35 46.102 19.163 -13.898 1.00 0.00 C ATOM 514 O ASN A 35 46.414 19.704 -12.854 1.00 0.00 O ATOM 515 CB ASN A 35 46.712 16.762 -13.676 1.00 0.00 C ATOM 516 CG ASN A 35 47.528 15.556 -14.134 1.00 0.00 C ATOM 517 OD1 ASN A 35 48.150 15.558 -15.176 1.00 0.00 O ATOM 518 ND2 ASN A 35 47.532 14.503 -13.355 1.00 0.00 N ATOM 0 H ASN A 35 48.865 18.185 -13.495 1.00 0.00 H new ATOM 0 HA ASN A 35 46.778 17.852 -15.537 1.00 0.00 H new ATOM 0 HB2 ASN A 35 46.925 16.954 -12.624 1.00 0.00 H new ATOM 0 HB3 ASN A 35 45.652 16.519 -13.748 1.00 0.00 H new ATOM 0 HD21 ASN A 35 48.062 13.673 -13.622 1.00 0.00 H new ATOM 0 HD22 ASN A 35 47.005 14.513 -12.481 1.00 0.00 H new ATOM 525 N GLN A 36 45.027 19.478 -14.577 1.00 0.00 N ATOM 526 CA GLN A 36 44.099 20.547 -14.085 1.00 0.00 C ATOM 527 C GLN A 36 43.009 19.838 -13.276 1.00 0.00 C ATOM 528 O GLN A 36 41.881 19.657 -13.697 1.00 0.00 O ATOM 529 CB GLN A 36 43.518 21.295 -15.307 1.00 0.00 C ATOM 530 CG GLN A 36 44.680 21.925 -16.106 1.00 0.00 C ATOM 531 CD GLN A 36 44.121 22.720 -17.289 1.00 0.00 C ATOM 532 OE1 GLN A 36 43.584 22.172 -18.230 1.00 0.00 O ATOM 533 NE2 GLN A 36 44.229 24.022 -17.276 1.00 0.00 N ATOM 0 H GLN A 36 44.750 19.040 -15.455 1.00 0.00 H new ATOM 0 HA GLN A 36 44.598 21.284 -13.456 1.00 0.00 H new ATOM 0 HB2 GLN A 36 42.956 20.607 -15.938 1.00 0.00 H new ATOM 0 HB3 GLN A 36 42.822 22.068 -14.980 1.00 0.00 H new ATOM 0 HG2 GLN A 36 45.266 22.579 -15.460 1.00 0.00 H new ATOM 0 HG3 GLN A 36 45.352 21.146 -16.464 1.00 0.00 H new ATOM 0 HE21 GLN A 36 44.679 24.489 -16.488 1.00 0.00 H new ATOM 0 HE22 GLN A 36 43.863 24.572 -18.053 1.00 0.00 H new ATOM 542 N ARG A 37 43.445 19.463 -12.104 1.00 0.00 N ATOM 543 CA ARG A 37 42.609 18.746 -11.097 1.00 0.00 C ATOM 544 C ARG A 37 42.984 19.289 -9.714 1.00 0.00 C ATOM 545 O ARG A 37 43.497 20.386 -9.603 1.00 0.00 O ATOM 546 CB ARG A 37 42.906 17.223 -11.208 1.00 0.00 C ATOM 547 CG ARG A 37 44.431 16.998 -11.038 1.00 0.00 C ATOM 548 CD ARG A 37 44.820 15.516 -11.123 1.00 0.00 C ATOM 549 NE ARG A 37 44.192 14.783 -9.978 1.00 0.00 N ATOM 550 CZ ARG A 37 44.784 13.766 -9.399 1.00 0.00 C ATOM 551 NH1 ARG A 37 45.955 13.343 -9.800 1.00 0.00 N ATOM 552 NH2 ARG A 37 44.165 13.189 -8.407 1.00 0.00 N ATOM 0 H ARG A 37 44.400 19.635 -11.788 1.00 0.00 H new ATOM 0 HA ARG A 37 41.543 18.900 -11.264 1.00 0.00 H new ATOM 0 HB2 ARG A 37 42.356 16.674 -10.443 1.00 0.00 H new ATOM 0 HB3 ARG A 37 42.574 16.843 -12.174 1.00 0.00 H new ATOM 0 HG2 ARG A 37 44.965 17.555 -11.808 1.00 0.00 H new ATOM 0 HG3 ARG A 37 44.749 17.399 -10.076 1.00 0.00 H new ATOM 0 HD2 ARG A 37 44.486 15.092 -12.070 1.00 0.00 H new ATOM 0 HD3 ARG A 37 45.904 15.408 -11.090 1.00 0.00 H new ATOM 0 HE ARG A 37 43.278 15.083 -9.639 1.00 0.00 H new ATOM 0 HH11 ARG A 37 46.426 13.806 -10.577 1.00 0.00 H new ATOM 0 HH12 ARG A 37 46.397 12.550 -9.335 1.00 0.00 H new ATOM 0 HH21 ARG A 37 43.252 13.532 -8.107 1.00 0.00 H new ATOM 0 HH22 ARG A 37 44.593 12.395 -7.931 1.00 0.00 H new ATOM 566 N CYS A 38 42.719 18.505 -8.699 1.00 0.00 N ATOM 567 CA CYS A 38 43.056 18.954 -7.315 1.00 0.00 C ATOM 568 C CYS A 38 44.542 18.687 -7.012 1.00 0.00 C ATOM 569 O CYS A 38 45.189 17.907 -7.684 1.00 0.00 O ATOM 570 CB CYS A 38 42.207 18.200 -6.278 1.00 0.00 C ATOM 571 SG CYS A 38 42.603 18.739 -4.599 1.00 0.00 S ATOM 0 H CYS A 38 42.288 17.583 -8.768 1.00 0.00 H new ATOM 0 HA CYS A 38 42.849 20.022 -7.253 1.00 0.00 H new ATOM 0 HB2 CYS A 38 41.149 18.369 -6.478 1.00 0.00 H new ATOM 0 HB3 CYS A 38 42.382 17.128 -6.370 1.00 0.00 H new ATOM 576 N GLY A 39 45.027 19.356 -5.998 1.00 0.00 N ATOM 577 CA GLY A 39 46.452 19.210 -5.573 1.00 0.00 C ATOM 578 C GLY A 39 46.721 20.065 -4.340 1.00 0.00 C ATOM 579 O GLY A 39 46.026 21.035 -4.100 1.00 0.00 O ATOM 0 H GLY A 39 44.484 20.011 -5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 39 46.669 18.164 -5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 39 47.114 19.510 -6.385 1.00 0.00 H new ATOM 583 N CYS A 40 47.726 19.678 -3.591 1.00 0.00 N ATOM 584 CA CYS A 40 48.091 20.433 -2.359 1.00 0.00 C ATOM 585 C CYS A 40 48.299 21.913 -2.638 1.00 0.00 C ATOM 586 O CYS A 40 48.711 22.299 -3.715 1.00 0.00 O ATOM 587 CB CYS A 40 49.382 19.870 -1.756 1.00 0.00 C ATOM 588 SG CYS A 40 49.354 18.195 -1.081 1.00 0.00 S ATOM 0 H CYS A 40 48.311 18.865 -3.785 1.00 0.00 H new ATOM 0 HA CYS A 40 47.261 20.321 -1.662 1.00 0.00 H new ATOM 0 HB2 CYS A 40 50.152 19.905 -2.527 1.00 0.00 H new ATOM 0 HB3 CYS A 40 49.698 20.544 -0.960 1.00 0.00 H new ATOM 593 N ILE A 41 48.000 22.687 -1.633 1.00 0.00 N ATOM 594 CA ILE A 41 48.149 24.170 -1.745 1.00 0.00 C ATOM 595 C ILE A 41 49.644 24.469 -1.962 1.00 0.00 C ATOM 596 O ILE A 41 50.498 23.633 -1.729 1.00 0.00 O ATOM 597 CB ILE A 41 47.648 24.834 -0.434 1.00 0.00 C ATOM 598 CG1 ILE A 41 46.197 24.336 -0.123 1.00 0.00 C ATOM 599 CG2 ILE A 41 47.614 26.376 -0.625 1.00 0.00 C ATOM 600 CD1 ILE A 41 45.685 24.880 1.226 1.00 0.00 C ATOM 0 H ILE A 41 47.656 22.356 -0.731 1.00 0.00 H new ATOM 0 HA ILE A 41 47.564 24.565 -2.575 1.00 0.00 H new ATOM 0 HB ILE A 41 48.316 24.571 0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 41 45.525 24.651 -0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 41 46.182 23.246 -0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 41 47.263 26.849 0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 41 48.616 26.736 -0.858 1.00 0.00 H new ATOM 0 HG23 ILE A 41 46.939 26.626 -1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 41 44.675 24.513 1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 41 46.343 24.543 2.027 1.00 0.00 H new ATOM 0 HD13 ILE A 41 45.675 25.970 1.199 1.00 0.00 H new ATOM 612 N SER A 42 49.899 25.667 -2.406 1.00 0.00 N ATOM 613 CA SER A 42 51.300 26.112 -2.668 1.00 0.00 C ATOM 614 C SER A 42 51.973 26.373 -1.316 1.00 0.00 C ATOM 615 O SER A 42 51.854 27.440 -0.744 1.00 0.00 O ATOM 616 CB SER A 42 51.252 27.390 -3.531 1.00 0.00 C ATOM 617 OG SER A 42 52.617 27.727 -3.737 1.00 0.00 O ATOM 0 H SER A 42 49.186 26.369 -2.602 1.00 0.00 H new ATOM 0 HA SER A 42 51.872 25.356 -3.206 1.00 0.00 H new ATOM 0 HB2 SER A 42 50.739 27.212 -4.476 1.00 0.00 H new ATOM 0 HB3 SER A 42 50.716 28.192 -3.024 1.00 0.00 H new ATOM 0 HG SER A 42 52.675 28.538 -4.285 1.00 0.00 H new ATOM 623 N GLY A 43 52.661 25.359 -0.860 1.00 0.00 N ATOM 624 CA GLY A 43 53.383 25.428 0.446 1.00 0.00 C ATOM 625 C GLY A 43 53.092 24.167 1.264 1.00 0.00 C ATOM 626 O GLY A 43 53.751 23.929 2.255 1.00 0.00 O ATOM 0 H GLY A 43 52.755 24.468 -1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 43 54.455 25.523 0.275 1.00 0.00 H new ATOM 0 HA3 GLY A 43 53.069 26.313 1.000 1.00 0.00 H new ATOM 630 N THR A 44 52.119 23.401 0.827 1.00 0.00 N ATOM 631 CA THR A 44 51.742 22.148 1.545 1.00 0.00 C ATOM 632 C THR A 44 52.061 20.884 0.747 1.00 0.00 C ATOM 633 O THR A 44 52.264 20.900 -0.452 1.00 0.00 O ATOM 634 CB THR A 44 50.220 22.162 1.872 1.00 0.00 C ATOM 635 OG1 THR A 44 49.524 22.261 0.635 1.00 0.00 O ATOM 636 CG2 THR A 44 49.816 23.421 2.627 1.00 0.00 C ATOM 0 H THR A 44 51.566 23.596 -0.007 1.00 0.00 H new ATOM 0 HA THR A 44 52.337 22.123 2.458 1.00 0.00 H new ATOM 0 HB THR A 44 49.996 21.271 2.458 1.00 0.00 H new ATOM 0 HG1 THR A 44 50.121 22.632 -0.048 1.00 0.00 H new ATOM 0 HG21 THR A 44 48.747 23.392 2.836 1.00 0.00 H new ATOM 0 HG22 THR A 44 50.368 23.475 3.565 1.00 0.00 H new ATOM 0 HG23 THR A 44 50.044 24.298 2.021 1.00 0.00 H new ATOM 644 N VAL A 45 52.085 19.830 1.514 1.00 0.00 N ATOM 645 CA VAL A 45 52.365 18.446 1.030 1.00 0.00 C ATOM 646 C VAL A 45 51.301 17.512 1.607 1.00 0.00 C ATOM 647 O VAL A 45 51.004 17.597 2.781 1.00 0.00 O ATOM 648 CB VAL A 45 53.764 17.961 1.505 1.00 0.00 C ATOM 649 CG1 VAL A 45 54.874 18.724 0.804 1.00 0.00 C ATOM 650 CG2 VAL A 45 53.977 18.205 3.026 1.00 0.00 C ATOM 0 H VAL A 45 51.911 19.877 2.518 1.00 0.00 H new ATOM 0 HA VAL A 45 52.348 18.441 -0.060 1.00 0.00 H new ATOM 0 HB VAL A 45 53.799 16.896 1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 45 55.841 18.364 1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 45 54.798 18.569 -0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 45 54.780 19.787 1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 45 54.967 17.852 3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 45 53.895 19.271 3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 45 53.218 17.663 3.591 1.00 0.00 H new ATOM 660 N LEU A 46 50.764 16.655 0.774 1.00 0.00 N ATOM 661 CA LEU A 46 49.709 15.690 1.225 1.00 0.00 C ATOM 662 C LEU A 46 50.306 14.852 2.366 1.00 0.00 C ATOM 663 O LEU A 46 51.036 13.918 2.111 1.00 0.00 O ATOM 664 CB LEU A 46 49.304 14.793 0.019 1.00 0.00 C ATOM 665 CG LEU A 46 48.119 13.850 0.355 1.00 0.00 C ATOM 666 CD1 LEU A 46 46.848 14.678 0.663 1.00 0.00 C ATOM 667 CD2 LEU A 46 47.856 12.927 -0.855 1.00 0.00 C ATOM 0 H LEU A 46 51.014 16.581 -0.212 1.00 0.00 H new ATOM 0 HA LEU A 46 48.816 16.203 1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 46 49.033 15.426 -0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 46 50.162 14.197 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 46 48.368 13.253 1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 46 46.023 14.005 0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 46 47.037 15.331 1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 46 46.588 15.282 -0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 46 47.024 12.259 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 46 47.609 13.532 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 46 48.749 12.337 -1.063 1.00 0.00 H new ATOM 679 N LYS A 47 49.961 15.245 3.569 1.00 0.00 N ATOM 680 CA LYS A 47 50.402 14.609 4.857 1.00 0.00 C ATOM 681 C LYS A 47 51.230 13.317 4.719 1.00 0.00 C ATOM 682 O LYS A 47 52.347 13.249 5.192 1.00 0.00 O ATOM 683 CB LYS A 47 49.107 14.389 5.664 1.00 0.00 C ATOM 684 CG LYS A 47 49.368 13.740 7.037 1.00 0.00 C ATOM 685 CD LYS A 47 48.032 13.577 7.816 1.00 0.00 C ATOM 686 CE LYS A 47 47.361 14.949 8.079 1.00 0.00 C ATOM 687 NZ LYS A 47 46.097 14.759 8.844 1.00 0.00 N ATOM 0 H LYS A 47 49.344 16.043 3.719 1.00 0.00 H new ATOM 0 HA LYS A 47 51.108 15.270 5.359 1.00 0.00 H new ATOM 0 HB2 LYS A 47 48.606 15.346 5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 47 48.429 13.757 5.091 1.00 0.00 H new ATOM 0 HG2 LYS A 47 49.841 12.767 6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 47 50.060 14.355 7.612 1.00 0.00 H new ATOM 0 HD2 LYS A 47 47.353 12.941 7.248 1.00 0.00 H new ATOM 0 HD3 LYS A 47 48.221 13.075 8.765 1.00 0.00 H new ATOM 0 HE2 LYS A 47 48.040 15.594 8.637 1.00 0.00 H new ATOM 0 HE3 LYS A 47 47.152 15.448 7.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 45.514 15.617 8.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 45.573 13.950 8.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 46.320 14.577 9.843 1.00 0.00 H new ATOM 701 N SER A 48 50.653 12.336 4.076 1.00 0.00 N ATOM 702 CA SER A 48 51.352 11.028 3.869 1.00 0.00 C ATOM 703 C SER A 48 51.225 10.598 2.419 1.00 0.00 C ATOM 704 O SER A 48 50.502 11.213 1.659 1.00 0.00 O ATOM 705 CB SER A 48 50.721 9.972 4.794 1.00 0.00 C ATOM 706 OG SER A 48 50.915 10.490 6.103 1.00 0.00 O ATOM 0 H SER A 48 49.715 12.384 3.679 1.00 0.00 H new ATOM 0 HA SER A 48 52.410 11.134 4.107 1.00 0.00 H new ATOM 0 HB2 SER A 48 49.663 9.833 4.574 1.00 0.00 H new ATOM 0 HB3 SER A 48 51.202 9.001 4.675 1.00 0.00 H new ATOM 0 HG SER A 48 50.535 9.870 6.760 1.00 0.00 H new ATOM 712 N LYS A 49 51.954 9.546 2.118 1.00 0.00 N ATOM 713 CA LYS A 49 52.021 8.906 0.757 1.00 0.00 C ATOM 714 C LYS A 49 50.746 9.045 -0.076 1.00 0.00 C ATOM 715 O LYS A 49 50.798 9.119 -1.290 1.00 0.00 O ATOM 716 CB LYS A 49 52.350 7.432 0.956 1.00 0.00 C ATOM 717 CG LYS A 49 51.269 6.776 1.840 1.00 0.00 C ATOM 718 CD LYS A 49 51.635 5.322 2.110 1.00 0.00 C ATOM 719 CE LYS A 49 51.661 4.476 0.816 1.00 0.00 C ATOM 720 NZ LYS A 49 50.330 4.517 0.146 1.00 0.00 N ATOM 0 H LYS A 49 52.542 9.076 2.806 1.00 0.00 H new ATOM 0 HA LYS A 49 52.789 9.430 0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 49 52.401 6.927 -0.009 1.00 0.00 H new ATOM 0 HB3 LYS A 49 53.329 7.327 1.423 1.00 0.00 H new ATOM 0 HG2 LYS A 49 51.178 7.318 2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 49 50.299 6.831 1.345 1.00 0.00 H new ATOM 0 HD2 LYS A 49 52.613 5.278 2.590 1.00 0.00 H new ATOM 0 HD3 LYS A 49 50.917 4.892 2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 49 52.428 4.855 0.141 1.00 0.00 H new ATOM 0 HE3 LYS A 49 51.926 3.445 1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 50.276 3.761 -0.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 49.581 4.380 0.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 50.203 5.439 -0.318 1.00 0.00 H new ATOM 734 N ASP A 50 49.643 9.078 0.626 1.00 0.00 N ATOM 735 CA ASP A 50 48.322 9.210 -0.051 1.00 0.00 C ATOM 736 C ASP A 50 47.232 9.555 0.982 1.00 0.00 C ATOM 737 O ASP A 50 46.247 8.855 1.126 1.00 0.00 O ATOM 738 CB ASP A 50 48.013 7.864 -0.779 1.00 0.00 C ATOM 739 CG ASP A 50 46.686 7.965 -1.557 1.00 0.00 C ATOM 740 OD1 ASP A 50 46.657 8.769 -2.477 1.00 0.00 O ATOM 741 OD2 ASP A 50 45.777 7.237 -1.193 1.00 0.00 O ATOM 0 H ASP A 50 49.602 9.019 1.643 1.00 0.00 H new ATOM 0 HA ASP A 50 48.343 10.018 -0.783 1.00 0.00 H new ATOM 0 HB2 ASP A 50 48.825 7.619 -1.463 1.00 0.00 H new ATOM 0 HB3 ASP A 50 47.954 7.055 -0.051 1.00 0.00 H new ATOM 746 N SER A 51 47.445 10.642 1.684 1.00 0.00 N ATOM 747 CA SER A 51 46.460 11.089 2.717 1.00 0.00 C ATOM 748 C SER A 51 45.312 11.824 1.978 1.00 0.00 C ATOM 749 O SER A 51 45.073 11.567 0.815 1.00 0.00 O ATOM 750 CB SER A 51 47.235 12.005 3.699 1.00 0.00 C ATOM 751 OG SER A 51 46.335 12.345 4.745 1.00 0.00 O ATOM 0 H SER A 51 48.264 11.242 1.584 1.00 0.00 H new ATOM 0 HA SER A 51 46.015 10.273 3.286 1.00 0.00 H new ATOM 0 HB2 SER A 51 48.111 11.492 4.095 1.00 0.00 H new ATOM 0 HB3 SER A 51 47.592 12.901 3.191 1.00 0.00 H new ATOM 0 HG SER A 51 46.511 11.778 5.525 1.00 0.00 H new ATOM 757 N SER A 52 44.634 12.711 2.663 1.00 0.00 N ATOM 758 CA SER A 52 43.502 13.490 2.060 1.00 0.00 C ATOM 759 C SER A 52 43.576 14.963 2.501 1.00 0.00 C ATOM 760 O SER A 52 42.708 15.753 2.185 1.00 0.00 O ATOM 761 CB SER A 52 42.174 12.855 2.518 1.00 0.00 C ATOM 762 OG SER A 52 42.198 12.946 3.936 1.00 0.00 O ATOM 0 H SER A 52 44.821 12.935 3.640 1.00 0.00 H new ATOM 0 HA SER A 52 43.567 13.461 0.972 1.00 0.00 H new ATOM 0 HB2 SER A 52 41.318 13.386 2.102 1.00 0.00 H new ATOM 0 HB3 SER A 52 42.097 11.819 2.189 1.00 0.00 H new ATOM 0 HG SER A 52 41.376 12.559 4.303 1.00 0.00 H new ATOM 768 N GLU A 53 44.624 15.275 3.223 1.00 0.00 N ATOM 769 CA GLU A 53 44.847 16.661 3.733 1.00 0.00 C ATOM 770 C GLU A 53 46.338 16.971 3.641 1.00 0.00 C ATOM 771 O GLU A 53 47.159 16.178 4.061 1.00 0.00 O ATOM 772 CB GLU A 53 44.365 16.725 5.191 1.00 0.00 C ATOM 773 CG GLU A 53 44.565 18.143 5.763 1.00 0.00 C ATOM 774 CD GLU A 53 44.102 18.151 7.228 1.00 0.00 C ATOM 775 OE1 GLU A 53 44.916 17.763 8.053 1.00 0.00 O ATOM 776 OE2 GLU A 53 42.965 18.541 7.439 1.00 0.00 O ATOM 0 H GLU A 53 45.351 14.609 3.486 1.00 0.00 H new ATOM 0 HA GLU A 53 44.295 17.395 3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 53 43.312 16.450 5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.914 16.002 5.794 1.00 0.00 H new ATOM 0 HG2 GLU A 53 45.613 18.433 5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.996 18.869 5.182 1.00 0.00 H new ATOM 783 N CYS A 54 46.635 18.121 3.091 1.00 0.00 N ATOM 784 CA CYS A 54 48.055 18.542 2.943 1.00 0.00 C ATOM 785 C CYS A 54 48.404 19.532 4.057 1.00 0.00 C ATOM 786 O CYS A 54 47.621 20.392 4.414 1.00 0.00 O ATOM 787 CB CYS A 54 48.245 19.209 1.590 1.00 0.00 C ATOM 788 SG CYS A 54 47.728 18.309 0.107 1.00 0.00 S ATOM 0 H CYS A 54 45.949 18.788 2.737 1.00 0.00 H new ATOM 0 HA CYS A 54 48.707 17.671 3.011 1.00 0.00 H new ATOM 0 HB2 CYS A 54 47.706 20.156 1.608 1.00 0.00 H new ATOM 0 HB3 CYS A 54 49.303 19.446 1.482 1.00 0.00 H new ATOM 793 N VAL A 55 49.595 19.352 4.557 1.00 0.00 N ATOM 794 CA VAL A 55 50.165 20.191 5.653 1.00 0.00 C ATOM 795 C VAL A 55 51.522 20.706 5.197 1.00 0.00 C ATOM 796 O VAL A 55 52.202 20.029 4.454 1.00 0.00 O ATOM 797 CB VAL A 55 50.332 19.333 6.936 1.00 0.00 C ATOM 798 CG1 VAL A 55 48.940 18.930 7.474 1.00 0.00 C ATOM 799 CG2 VAL A 55 51.107 18.031 6.616 1.00 0.00 C ATOM 0 H VAL A 55 50.228 18.620 4.234 1.00 0.00 H new ATOM 0 HA VAL A 55 49.500 21.026 5.876 1.00 0.00 H new ATOM 0 HB VAL A 55 50.878 19.923 7.672 1.00 0.00 H new ATOM 0 HG11 VAL A 55 49.058 18.328 8.375 1.00 0.00 H new ATOM 0 HG12 VAL A 55 48.367 19.827 7.710 1.00 0.00 H new ATOM 0 HG13 VAL A 55 48.411 18.351 6.717 1.00 0.00 H new ATOM 0 HG21 VAL A 55 51.216 17.440 7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 55 50.558 17.454 5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 55 52.093 18.281 6.225 1.00 0.00 H new ATOM 809 N HIS A 56 51.892 21.878 5.642 1.00 0.00 N ATOM 810 CA HIS A 56 53.217 22.439 5.234 1.00 0.00 C ATOM 811 C HIS A 56 54.337 21.568 5.833 1.00 0.00 C ATOM 812 O HIS A 56 54.112 20.859 6.798 1.00 0.00 O ATOM 813 CB HIS A 56 53.352 23.866 5.757 1.00 0.00 C ATOM 814 CG HIS A 56 52.249 24.759 5.180 1.00 0.00 C ATOM 815 ND1 HIS A 56 52.375 25.506 4.133 1.00 0.00 N ATOM 816 CD2 HIS A 56 50.948 24.974 5.600 1.00 0.00 C ATOM 817 CE1 HIS A 56 51.265 26.134 3.909 1.00 0.00 C ATOM 818 NE2 HIS A 56 50.349 25.832 4.797 1.00 0.00 N ATOM 0 H HIS A 56 51.341 22.468 6.265 1.00 0.00 H new ATOM 0 HA HIS A 56 53.293 22.445 4.147 1.00 0.00 H new ATOM 0 HB2 HIS A 56 53.296 23.867 6.846 1.00 0.00 H new ATOM 0 HB3 HIS A 56 54.329 24.267 5.488 1.00 0.00 H new ATOM 0 HD1 HIS A 56 53.221 25.588 3.569 1.00 0.00 H new ATOM 0 HD2 HIS A 56 50.490 24.507 6.460 1.00 0.00 H new ATOM 0 HE1 HIS A 56 51.112 26.822 3.091 1.00 0.00 H new ATOM 826 N PRO A 57 55.513 21.638 5.249 1.00 0.00 N ATOM 827 CA PRO A 57 56.697 20.960 5.806 1.00 0.00 C ATOM 828 C PRO A 57 56.976 21.376 7.261 1.00 0.00 C ATOM 829 O PRO A 57 57.611 20.635 7.986 1.00 0.00 O ATOM 830 CB PRO A 57 57.836 21.384 4.860 1.00 0.00 C ATOM 831 CG PRO A 57 57.325 22.565 4.123 1.00 0.00 C ATOM 832 CD PRO A 57 55.854 22.359 4.004 1.00 0.00 C ATOM 0 HA PRO A 57 56.571 19.879 5.856 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.738 21.632 5.419 1.00 0.00 H new ATOM 0 HB3 PRO A 57 58.097 20.577 4.175 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.549 23.488 4.658 1.00 0.00 H new ATOM 0 HG3 PRO A 57 57.790 22.645 3.140 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.320 23.306 3.928 1.00 0.00 H new ATOM 0 HD3 PRO A 57 55.599 21.777 3.119 1.00 0.00 H new ATOM 840 N SER A 58 56.486 22.539 7.623 1.00 0.00 N ATOM 841 CA SER A 58 56.686 23.057 9.011 1.00 0.00 C ATOM 842 C SER A 58 55.886 22.259 10.049 1.00 0.00 C ATOM 843 O SER A 58 56.244 22.254 11.211 1.00 0.00 O ATOM 844 CB SER A 58 56.293 24.560 9.027 1.00 0.00 C ATOM 845 OG SER A 58 54.956 24.630 8.563 1.00 0.00 O ATOM 0 H SER A 58 55.952 23.155 7.010 1.00 0.00 H new ATOM 0 HA SER A 58 57.733 22.941 9.290 1.00 0.00 H new ATOM 0 HB2 SER A 58 56.377 24.972 10.032 1.00 0.00 H new ATOM 0 HB3 SER A 58 56.957 25.142 8.387 1.00 0.00 H new ATOM 0 HG SER A 58 54.660 25.564 8.557 1.00 0.00 H new ATOM 851 N LYS A 59 54.835 21.609 9.612 1.00 0.00 N ATOM 852 CA LYS A 59 54.005 20.798 10.557 1.00 0.00 C ATOM 853 C LYS A 59 54.585 19.390 10.504 1.00 0.00 C ATOM 854 O LYS A 59 54.745 18.739 11.519 1.00 0.00 O ATOM 855 CB LYS A 59 52.516 20.731 10.132 1.00 0.00 C ATOM 856 CG LYS A 59 51.832 22.115 10.163 1.00 0.00 C ATOM 857 CD LYS A 59 52.300 23.026 9.029 1.00 0.00 C ATOM 858 CE LYS A 59 51.583 24.386 9.112 1.00 0.00 C ATOM 859 NZ LYS A 59 51.904 25.060 10.402 1.00 0.00 N ATOM 0 H LYS A 59 54.516 21.605 8.643 1.00 0.00 H new ATOM 0 HA LYS A 59 54.032 21.247 11.550 1.00 0.00 H new ATOM 0 HB2 LYS A 59 52.446 20.317 9.126 1.00 0.00 H new ATOM 0 HB3 LYS A 59 51.982 20.050 10.795 1.00 0.00 H new ATOM 0 HG2 LYS A 59 50.752 21.984 10.097 1.00 0.00 H new ATOM 0 HG3 LYS A 59 52.037 22.596 11.119 1.00 0.00 H new ATOM 0 HD2 LYS A 59 53.379 23.171 9.090 1.00 0.00 H new ATOM 0 HD3 LYS A 59 52.095 22.556 8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 59 51.888 25.018 8.278 1.00 0.00 H new ATOM 0 HE3 LYS A 59 50.506 24.243 9.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 51.697 26.076 10.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 51.327 24.647 11.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 52.912 24.928 10.621 1.00 0.00 H new ATOM 873 N CYS A 60 54.880 18.969 9.298 1.00 0.00 N ATOM 874 CA CYS A 60 55.463 17.613 9.083 1.00 0.00 C ATOM 875 C CYS A 60 56.774 17.449 9.882 1.00 0.00 C ATOM 876 O CYS A 60 57.595 18.348 9.779 1.00 0.00 O ATOM 877 CB CYS A 60 55.755 17.421 7.599 1.00 0.00 C ATOM 878 SG CYS A 60 54.444 17.217 6.371 1.00 0.00 S ATOM 879 OXT CYS A 60 56.881 16.434 10.551 1.00 0.00 O ATOM 0 H CYS A 60 54.739 19.514 8.447 1.00 0.00 H new ATOM 0 HA CYS A 60 54.747 16.867 9.427 1.00 0.00 H new ATOM 0 HB2 CYS A 60 56.347 18.280 7.284 1.00 0.00 H new ATOM 0 HB3 CYS A 60 56.398 16.544 7.518 1.00 0.00 H new TER 884 CYS A 60