USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 273 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 Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= -1.33 USER MOD Single : A 9 THR OG1 : rot -12:sc= -0.431 USER MOD Single : A 10 ASN : amide:sc= -0.0455 X(o=-0.046,f=-0.046) USER MOD Single : A 13 LYS NZ :NH3+ -114:sc= -4.51! (180deg=-10.6!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 160:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -11:sc= 0.551 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.947 K(o=-0.95,f=-3.5!) USER MOD Single : A 37 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.437) USER MOD Single : A 38 ASN :FLIP amide:sc= -2.18 F(o=-5.8!,f=-2.2) USER MOD Single : A 40 THR OG1 : rot -84:sc= -0.309 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 9.929 2.848 7.414 1.00 0.00 N ATOM 2 CA ASP A 1 10.115 2.727 5.938 1.00 0.00 C ATOM 3 C ASP A 1 11.296 1.805 5.628 1.00 0.00 C ATOM 4 O ASP A 1 12.408 2.252 5.431 1.00 0.00 O ATOM 5 CB ASP A 1 10.412 4.147 5.461 1.00 0.00 C ATOM 6 CG ASP A 1 10.341 4.197 3.934 1.00 0.00 C ATOM 7 OD1 ASP A 1 11.276 3.734 3.301 1.00 0.00 O ATOM 8 OD2 ASP A 1 9.353 4.696 3.422 1.00 0.00 O ATOM 0 H1 ASP A 1 9.124 3.476 7.612 1.00 0.00 H new ATOM 0 H2 ASP A 1 9.742 1.908 7.819 1.00 0.00 H new ATOM 0 H3 ASP A 1 10.791 3.244 7.841 1.00 0.00 H new ATOM 0 HA ASP A 1 9.240 2.303 5.445 1.00 0.00 H new ATOM 0 HB2 ASP A 1 9.694 4.845 5.892 1.00 0.00 H new ATOM 0 HB3 ASP A 1 11.400 4.457 5.800 1.00 0.00 H new ATOM 15 N ASP A 2 11.063 0.521 5.590 1.00 0.00 N ATOM 16 CA ASP A 2 12.177 -0.430 5.299 1.00 0.00 C ATOM 17 C ASP A 2 11.635 -1.738 4.706 1.00 0.00 C ATOM 18 O ASP A 2 10.680 -2.307 5.199 1.00 0.00 O ATOM 19 CB ASP A 2 12.823 -0.692 6.670 1.00 0.00 C ATOM 20 CG ASP A 2 13.720 0.490 7.044 1.00 0.00 C ATOM 21 OD1 ASP A 2 14.467 0.935 6.188 1.00 0.00 O ATOM 22 OD2 ASP A 2 13.645 0.930 8.180 1.00 0.00 O ATOM 0 H ASP A 2 10.152 0.089 5.747 1.00 0.00 H new ATOM 0 HA ASP A 2 12.883 -0.029 4.571 1.00 0.00 H new ATOM 0 HB2 ASP A 2 12.051 -0.831 7.427 1.00 0.00 H new ATOM 0 HB3 ASP A 2 13.408 -1.611 6.639 1.00 0.00 H new ATOM 27 N GLY A 3 12.245 -2.214 3.651 1.00 0.00 N ATOM 28 CA GLY A 3 11.785 -3.483 3.016 1.00 0.00 C ATOM 29 C GLY A 3 12.394 -3.620 1.616 1.00 0.00 C ATOM 30 O GLY A 3 13.177 -2.796 1.183 1.00 0.00 O ATOM 0 H GLY A 3 13.047 -1.774 3.200 1.00 0.00 H new ATOM 0 HA2 GLY A 3 12.075 -4.334 3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 3 10.697 -3.493 2.951 1.00 0.00 H new ATOM 34 N LEU A 4 12.038 -4.661 0.913 1.00 0.00 N ATOM 35 CA LEU A 4 12.584 -4.879 -0.460 1.00 0.00 C ATOM 36 C LEU A 4 11.432 -5.226 -1.421 1.00 0.00 C ATOM 37 O LEU A 4 10.289 -5.306 -1.013 1.00 0.00 O ATOM 38 CB LEU A 4 13.556 -6.060 -0.348 1.00 0.00 C ATOM 39 CG LEU A 4 14.483 -5.897 0.867 1.00 0.00 C ATOM 40 CD1 LEU A 4 15.121 -7.246 1.203 1.00 0.00 C ATOM 41 CD2 LEU A 4 15.590 -4.888 0.543 1.00 0.00 C ATOM 0 H LEU A 4 11.386 -5.377 1.233 1.00 0.00 H new ATOM 0 HA LEU A 4 13.086 -3.991 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.995 -6.990 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 4 14.152 -6.133 -1.258 1.00 0.00 H new ATOM 0 HG LEU A 4 13.901 -5.539 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.779 -7.133 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.340 -7.970 1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 4 15.699 -7.598 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 4 16.244 -4.776 1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 4 16.170 -5.245 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 4 15.144 -3.924 0.299 1.00 0.00 H new ATOM 53 N CYS A 5 11.712 -5.450 -2.687 1.00 0.00 N ATOM 54 CA CYS A 5 10.600 -5.810 -3.638 1.00 0.00 C ATOM 55 C CYS A 5 11.055 -6.938 -4.556 1.00 0.00 C ATOM 56 O CYS A 5 12.151 -6.936 -5.081 1.00 0.00 O ATOM 57 CB CYS A 5 10.276 -4.548 -4.452 1.00 0.00 C ATOM 58 SG CYS A 5 8.829 -4.868 -5.502 1.00 0.00 S ATOM 0 H CYS A 5 12.644 -5.401 -3.099 1.00 0.00 H new ATOM 0 HA CYS A 5 9.716 -6.153 -3.101 1.00 0.00 H new ATOM 0 HB2 CYS A 5 10.077 -3.711 -3.783 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.131 -4.268 -5.067 1.00 0.00 H new ATOM 63 N TYR A 6 10.205 -7.903 -4.739 1.00 0.00 N ATOM 64 CA TYR A 6 10.543 -9.065 -5.608 1.00 0.00 C ATOM 65 C TYR A 6 9.338 -9.375 -6.492 1.00 0.00 C ATOM 66 O TYR A 6 8.263 -8.839 -6.281 1.00 0.00 O ATOM 67 CB TYR A 6 10.851 -10.213 -4.635 1.00 0.00 C ATOM 68 CG TYR A 6 9.632 -10.558 -3.829 1.00 0.00 C ATOM 69 CD1 TYR A 6 8.636 -11.345 -4.398 1.00 0.00 C ATOM 70 CD2 TYR A 6 9.504 -10.098 -2.520 1.00 0.00 C ATOM 71 CE1 TYR A 6 7.499 -11.676 -3.660 1.00 0.00 C ATOM 72 CE2 TYR A 6 8.366 -10.427 -1.772 1.00 0.00 C ATOM 73 CZ TYR A 6 7.362 -11.217 -2.344 1.00 0.00 C ATOM 74 OH TYR A 6 6.239 -11.542 -1.612 1.00 0.00 O ATOM 0 H TYR A 6 9.276 -7.939 -4.319 1.00 0.00 H new ATOM 0 HA TYR A 6 11.390 -8.888 -6.270 1.00 0.00 H new ATOM 0 HB2 TYR A 6 11.187 -11.089 -5.190 1.00 0.00 H new ATOM 0 HB3 TYR A 6 11.665 -9.926 -3.970 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.743 -11.700 -5.412 1.00 0.00 H new ATOM 0 HD2 TYR A 6 10.281 -9.489 -2.083 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.725 -12.286 -4.103 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.264 -10.072 -0.757 1.00 0.00 H new ATOM 0 HH TYR A 6 6.304 -11.144 -0.719 1.00 0.00 H new ATOM 84 N GLU A 7 9.485 -10.211 -7.481 1.00 0.00 N ATOM 85 CA GLU A 7 8.314 -10.495 -8.349 1.00 0.00 C ATOM 86 C GLU A 7 8.003 -11.988 -8.363 1.00 0.00 C ATOM 87 O GLU A 7 8.882 -12.823 -8.308 1.00 0.00 O ATOM 88 CB GLU A 7 8.732 -10.007 -9.740 1.00 0.00 C ATOM 89 CG GLU A 7 9.640 -11.007 -10.434 1.00 0.00 C ATOM 90 CD GLU A 7 10.346 -10.327 -11.608 1.00 0.00 C ATOM 91 OE1 GLU A 7 9.729 -9.482 -12.235 1.00 0.00 O ATOM 92 OE2 GLU A 7 11.491 -10.662 -11.860 1.00 0.00 O ATOM 0 H GLU A 7 10.347 -10.700 -7.721 1.00 0.00 H new ATOM 0 HA GLU A 7 7.409 -10.000 -7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.844 -9.838 -10.349 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.245 -9.049 -9.651 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.375 -11.396 -9.730 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.058 -11.857 -10.789 1.00 0.00 H new ATOM 99 N GLY A 8 6.744 -12.317 -8.450 1.00 0.00 N ATOM 100 CA GLY A 8 6.352 -13.748 -8.486 1.00 0.00 C ATOM 101 C GLY A 8 4.912 -13.951 -8.002 1.00 0.00 C ATOM 102 O GLY A 8 3.974 -13.480 -8.614 1.00 0.00 O ATOM 0 H GLY A 8 5.971 -11.653 -8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.452 -14.128 -9.503 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.032 -14.328 -7.861 1.00 0.00 H new ATOM 106 N THR A 9 4.726 -14.688 -6.934 1.00 0.00 N ATOM 107 CA THR A 9 3.353 -14.965 -6.447 1.00 0.00 C ATOM 108 C THR A 9 3.383 -15.350 -4.948 1.00 0.00 C ATOM 109 O THR A 9 2.614 -16.180 -4.505 1.00 0.00 O ATOM 110 CB THR A 9 2.962 -16.179 -7.278 1.00 0.00 C ATOM 111 OG1 THR A 9 2.887 -15.807 -8.646 1.00 0.00 O ATOM 112 CG2 THR A 9 1.612 -16.759 -6.830 1.00 0.00 C ATOM 0 H THR A 9 5.474 -15.108 -6.382 1.00 0.00 H new ATOM 0 HA THR A 9 2.674 -14.117 -6.540 1.00 0.00 H new ATOM 0 HB THR A 9 3.722 -16.947 -7.136 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.906 -14.830 -8.721 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.365 -17.624 -7.446 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.675 -17.063 -5.785 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.836 -16.002 -6.941 1.00 0.00 H new ATOM 120 N ASN A 10 4.288 -14.810 -4.168 1.00 0.00 N ATOM 121 CA ASN A 10 4.362 -15.237 -2.725 1.00 0.00 C ATOM 122 C ASN A 10 3.154 -14.773 -1.915 1.00 0.00 C ATOM 123 O ASN A 10 2.948 -15.193 -0.793 1.00 0.00 O ATOM 124 CB ASN A 10 5.648 -14.624 -2.192 1.00 0.00 C ATOM 125 CG ASN A 10 5.925 -15.155 -0.777 1.00 0.00 C ATOM 126 OD1 ASN A 10 6.363 -16.279 -0.623 1.00 0.00 O ATOM 127 ND2 ASN A 10 5.672 -14.410 0.273 1.00 0.00 N ATOM 0 H ASN A 10 4.968 -14.106 -4.455 1.00 0.00 H new ATOM 0 HA ASN A 10 4.356 -16.324 -2.641 1.00 0.00 H new ATOM 0 HB2 ASN A 10 6.480 -14.868 -2.852 1.00 0.00 H new ATOM 0 HB3 ASN A 10 5.564 -13.537 -2.174 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.843 -14.775 1.210 1.00 0.00 H new ATOM 0 HD22 ASN A 10 5.305 -13.466 0.152 1.00 0.00 H new ATOM 134 N CYS A 11 2.330 -13.968 -2.492 1.00 0.00 N ATOM 135 CA CYS A 11 1.090 -13.529 -1.791 1.00 0.00 C ATOM 136 C CYS A 11 -0.105 -13.949 -2.615 1.00 0.00 C ATOM 137 O CYS A 11 -1.183 -13.397 -2.513 1.00 0.00 O ATOM 138 CB CYS A 11 1.185 -12.006 -1.651 1.00 0.00 C ATOM 139 SG CYS A 11 2.307 -11.570 -0.285 1.00 0.00 S ATOM 0 H CYS A 11 2.454 -13.585 -3.429 1.00 0.00 H new ATOM 0 HA CYS A 11 0.980 -13.979 -0.804 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.547 -11.570 -2.582 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.195 -11.588 -1.466 1.00 0.00 H new ATOM 144 N GLY A 12 0.084 -14.948 -3.423 1.00 0.00 N ATOM 145 CA GLY A 12 -1.035 -15.440 -4.248 1.00 0.00 C ATOM 146 C GLY A 12 -1.287 -14.485 -5.418 1.00 0.00 C ATOM 147 O GLY A 12 -2.258 -14.610 -6.137 1.00 0.00 O ATOM 0 H GLY A 12 0.968 -15.443 -3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.808 -16.437 -4.625 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.935 -15.527 -3.639 1.00 0.00 H new ATOM 151 N LYS A 13 -0.430 -13.518 -5.592 1.00 0.00 N ATOM 152 CA LYS A 13 -0.612 -12.532 -6.680 1.00 0.00 C ATOM 153 C LYS A 13 0.136 -12.912 -7.945 1.00 0.00 C ATOM 154 O LYS A 13 1.101 -12.298 -8.348 1.00 0.00 O ATOM 155 CB LYS A 13 -0.122 -11.246 -6.095 1.00 0.00 C ATOM 156 CG LYS A 13 1.404 -11.225 -5.954 1.00 0.00 C ATOM 157 CD LYS A 13 1.802 -9.887 -5.359 1.00 0.00 C ATOM 158 CE LYS A 13 1.237 -8.772 -6.247 1.00 0.00 C ATOM 159 NZ LYS A 13 -0.113 -8.441 -5.691 1.00 0.00 N ATOM 0 H LYS A 13 0.399 -13.372 -5.016 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.651 -12.469 -7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.439 -10.416 -6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.579 -11.095 -5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.739 -12.041 -5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.878 -11.366 -6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.417 -9.794 -4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.887 -9.808 -5.296 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.888 -7.898 -6.236 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.162 -9.100 -7.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.846 -8.702 -6.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.264 -8.970 -4.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.168 -7.421 -5.497 1.00 0.00 H new ATOM 173 N VAL A 14 -0.354 -13.905 -8.589 1.00 0.00 N ATOM 174 CA VAL A 14 0.264 -14.344 -9.873 1.00 0.00 C ATOM 175 C VAL A 14 0.111 -13.215 -10.901 1.00 0.00 C ATOM 176 O VAL A 14 -0.991 -12.885 -11.295 1.00 0.00 O ATOM 177 CB VAL A 14 -0.556 -15.580 -10.298 1.00 0.00 C ATOM 178 CG1 VAL A 14 -0.287 -15.930 -11.771 1.00 0.00 C ATOM 179 CG2 VAL A 14 -0.196 -16.789 -9.424 1.00 0.00 C ATOM 0 H VAL A 14 -1.165 -14.448 -8.291 1.00 0.00 H new ATOM 0 HA VAL A 14 1.325 -14.577 -9.787 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.612 -15.340 -10.171 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.875 -16.804 -12.050 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.568 -15.087 -12.402 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.773 -16.147 -11.906 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.783 -17.652 -9.737 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.865 -17.013 -9.533 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.414 -16.561 -8.381 1.00 0.00 H new ATOM 189 N GLY A 15 1.195 -12.640 -11.373 1.00 0.00 N ATOM 190 CA GLY A 15 1.049 -11.565 -12.407 1.00 0.00 C ATOM 191 C GLY A 15 1.385 -10.175 -11.834 1.00 0.00 C ATOM 192 O GLY A 15 1.800 -9.305 -12.575 1.00 0.00 O ATOM 0 H GLY A 15 2.151 -12.862 -11.095 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.705 -11.779 -13.250 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.028 -11.564 -12.790 1.00 0.00 H new ATOM 196 N LYS A 16 1.250 -9.935 -10.544 1.00 0.00 N ATOM 197 CA LYS A 16 1.623 -8.567 -10.032 1.00 0.00 C ATOM 198 C LYS A 16 2.936 -8.662 -9.209 1.00 0.00 C ATOM 199 O LYS A 16 3.796 -9.449 -9.553 1.00 0.00 O ATOM 200 CB LYS A 16 0.431 -8.041 -9.235 1.00 0.00 C ATOM 201 CG LYS A 16 -0.830 -8.017 -10.112 1.00 0.00 C ATOM 202 CD LYS A 16 -1.954 -7.271 -9.380 1.00 0.00 C ATOM 203 CE LYS A 16 -3.308 -7.863 -9.788 1.00 0.00 C ATOM 204 NZ LYS A 16 -4.068 -8.016 -8.515 1.00 0.00 N ATOM 0 H LYS A 16 0.911 -10.598 -9.847 1.00 0.00 H new ATOM 0 HA LYS A 16 1.829 -7.862 -10.837 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.263 -8.671 -8.362 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.645 -7.038 -8.867 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.615 -7.528 -11.062 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.145 -9.035 -10.341 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.818 -7.354 -8.302 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.920 -6.209 -9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.832 -7.206 -10.483 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.183 -8.823 -10.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.006 -8.417 -8.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.550 -8.652 -7.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.179 -7.086 -8.063 1.00 0.00 H new ATOM 218 N TYR A 17 3.151 -7.877 -8.155 1.00 0.00 N ATOM 219 CA TYR A 17 4.466 -7.998 -7.424 1.00 0.00 C ATOM 220 C TYR A 17 4.297 -7.741 -5.906 1.00 0.00 C ATOM 221 O TYR A 17 3.253 -7.300 -5.472 1.00 0.00 O ATOM 222 CB TYR A 17 5.372 -6.948 -8.053 1.00 0.00 C ATOM 223 CG TYR A 17 5.242 -6.986 -9.561 1.00 0.00 C ATOM 224 CD1 TYR A 17 4.238 -6.274 -10.232 1.00 0.00 C ATOM 225 CD2 TYR A 17 6.127 -7.777 -10.277 1.00 0.00 C ATOM 226 CE1 TYR A 17 4.134 -6.370 -11.628 1.00 0.00 C ATOM 227 CE2 TYR A 17 6.035 -7.872 -11.661 1.00 0.00 C ATOM 228 CZ TYR A 17 5.037 -7.170 -12.343 1.00 0.00 C ATOM 229 OH TYR A 17 4.938 -7.269 -13.716 1.00 0.00 O ATOM 0 H TYR A 17 2.497 -7.186 -7.786 1.00 0.00 H new ATOM 0 HA TYR A 17 4.880 -9.002 -7.513 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.107 -5.958 -7.682 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.407 -7.130 -7.765 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.548 -5.655 -9.677 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.896 -8.325 -9.754 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.360 -5.829 -12.151 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.734 -8.487 -12.208 1.00 0.00 H new ATOM 0 HH TYR A 17 5.641 -7.862 -14.053 1.00 0.00 H new ATOM 239 N CYS A 18 5.298 -8.010 -5.073 1.00 0.00 N ATOM 240 CA CYS A 18 5.088 -7.785 -3.607 1.00 0.00 C ATOM 241 C CYS A 18 6.294 -7.124 -2.934 1.00 0.00 C ATOM 242 O CYS A 18 7.396 -7.136 -3.437 1.00 0.00 O ATOM 243 CB CYS A 18 4.878 -9.197 -3.038 1.00 0.00 C ATOM 244 SG CYS A 18 3.213 -9.762 -3.433 1.00 0.00 S ATOM 0 H CYS A 18 6.216 -8.363 -5.343 1.00 0.00 H new ATOM 0 HA CYS A 18 4.251 -7.110 -3.428 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.615 -9.883 -3.456 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.025 -9.191 -1.958 1.00 0.00 H new ATOM 249 N CYS A 19 6.069 -6.560 -1.776 1.00 0.00 N ATOM 250 CA CYS A 19 7.155 -5.904 -1.013 1.00 0.00 C ATOM 251 C CYS A 19 7.062 -6.307 0.470 1.00 0.00 C ATOM 252 O CYS A 19 6.202 -5.840 1.204 1.00 0.00 O ATOM 253 CB CYS A 19 6.941 -4.395 -1.204 1.00 0.00 C ATOM 254 SG CYS A 19 5.185 -3.991 -1.071 1.00 0.00 S ATOM 0 H CYS A 19 5.156 -6.530 -1.323 1.00 0.00 H new ATOM 0 HA CYS A 19 8.146 -6.199 -1.357 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.506 -3.842 -0.454 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.319 -4.087 -2.179 1.00 0.00 H new ATOM 259 N SER A 20 7.933 -7.191 0.902 1.00 0.00 N ATOM 260 CA SER A 20 7.937 -7.640 2.329 1.00 0.00 C ATOM 261 C SER A 20 9.203 -8.466 2.582 1.00 0.00 C ATOM 262 O SER A 20 9.604 -9.235 1.730 1.00 0.00 O ATOM 263 CB SER A 20 6.671 -8.490 2.513 1.00 0.00 C ATOM 264 OG SER A 20 6.501 -9.327 1.375 1.00 0.00 O ATOM 0 H SER A 20 8.648 -7.624 0.318 1.00 0.00 H new ATOM 0 HA SER A 20 7.938 -6.807 3.032 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.753 -9.095 3.416 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.801 -7.846 2.639 1.00 0.00 H new ATOM 0 HG SER A 20 5.913 -10.077 1.605 1.00 0.00 H new ATOM 270 N PRO A 21 9.793 -8.303 3.735 1.00 0.00 N ATOM 271 CA PRO A 21 11.015 -9.076 4.055 1.00 0.00 C ATOM 272 C PRO A 21 10.644 -10.516 4.429 1.00 0.00 C ATOM 273 O PRO A 21 11.487 -11.381 4.560 1.00 0.00 O ATOM 274 CB PRO A 21 11.626 -8.311 5.226 1.00 0.00 C ATOM 275 CG PRO A 21 10.471 -7.585 5.875 1.00 0.00 C ATOM 276 CD PRO A 21 9.394 -7.407 4.828 1.00 0.00 C ATOM 0 HA PRO A 21 11.713 -9.164 3.223 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.109 -8.989 5.929 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.388 -7.611 4.884 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.090 -8.154 6.723 1.00 0.00 H new ATOM 0 HG3 PRO A 21 10.795 -6.618 6.259 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.412 -7.672 5.220 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.335 -6.372 4.491 1.00 0.00 H new ATOM 284 N ILE A 22 9.378 -10.765 4.577 1.00 0.00 N ATOM 285 CA ILE A 22 8.886 -12.138 4.922 1.00 0.00 C ATOM 286 C ILE A 22 7.371 -12.181 4.662 1.00 0.00 C ATOM 287 O ILE A 22 6.820 -11.292 4.044 1.00 0.00 O ATOM 288 CB ILE A 22 9.264 -12.318 6.410 1.00 0.00 C ATOM 289 CG1 ILE A 22 9.274 -13.810 6.818 1.00 0.00 C ATOM 290 CG2 ILE A 22 8.264 -11.576 7.279 1.00 0.00 C ATOM 291 CD1 ILE A 22 9.609 -13.941 8.313 1.00 0.00 C ATOM 0 H ILE A 22 8.643 -10.066 4.473 1.00 0.00 H new ATOM 0 HA ILE A 22 9.318 -12.946 4.332 1.00 0.00 H new ATOM 0 HB ILE A 22 10.267 -11.916 6.552 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.302 -14.259 6.614 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.008 -14.354 6.223 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.530 -11.702 8.329 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.278 -10.516 7.026 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.265 -11.976 7.107 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.614 -14.994 8.594 1.00 0.00 H new ATOM 0 HD12 ILE A 22 10.591 -13.509 8.505 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.859 -13.412 8.902 1.00 0.00 H new ATOM 303 N GLY A 23 6.705 -13.208 5.094 1.00 0.00 N ATOM 304 CA GLY A 23 5.230 -13.310 4.833 1.00 0.00 C ATOM 305 C GLY A 23 4.428 -12.567 5.895 1.00 0.00 C ATOM 306 O GLY A 23 3.227 -12.726 5.993 1.00 0.00 O ATOM 0 H GLY A 23 7.108 -13.985 5.617 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.003 -12.899 3.849 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.933 -14.359 4.817 1.00 0.00 H new ATOM 310 N LYS A 24 5.065 -11.764 6.688 1.00 0.00 N ATOM 311 CA LYS A 24 4.304 -11.025 7.738 1.00 0.00 C ATOM 312 C LYS A 24 3.683 -9.746 7.160 1.00 0.00 C ATOM 313 O LYS A 24 2.542 -9.427 7.431 1.00 0.00 O ATOM 314 CB LYS A 24 5.295 -10.705 8.859 1.00 0.00 C ATOM 315 CG LYS A 24 6.219 -9.558 8.446 1.00 0.00 C ATOM 316 CD LYS A 24 7.325 -9.392 9.489 1.00 0.00 C ATOM 317 CE LYS A 24 6.705 -8.959 10.821 1.00 0.00 C ATOM 318 NZ LYS A 24 7.863 -8.689 11.719 1.00 0.00 N ATOM 0 H LYS A 24 6.069 -11.584 6.662 1.00 0.00 H new ATOM 0 HA LYS A 24 3.478 -11.625 8.119 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.753 -10.435 9.765 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.887 -11.590 9.093 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.655 -9.762 7.468 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.649 -8.633 8.354 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.866 -10.330 9.615 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.049 -8.649 9.153 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.086 -8.070 10.697 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.063 -9.740 11.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.516 -8.387 12.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.430 -9.554 11.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.452 -7.937 11.309 1.00 0.00 H new ATOM 332 N TYR A 25 4.420 -9.015 6.365 1.00 0.00 N ATOM 333 CA TYR A 25 3.866 -7.763 5.770 1.00 0.00 C ATOM 334 C TYR A 25 3.119 -8.062 4.467 1.00 0.00 C ATOM 335 O TYR A 25 1.994 -7.642 4.282 1.00 0.00 O ATOM 336 CB TYR A 25 5.070 -6.860 5.485 1.00 0.00 C ATOM 337 CG TYR A 25 5.558 -6.200 6.758 1.00 0.00 C ATOM 338 CD1 TYR A 25 4.841 -5.133 7.319 1.00 0.00 C ATOM 339 CD2 TYR A 25 6.731 -6.649 7.369 1.00 0.00 C ATOM 340 CE1 TYR A 25 5.302 -4.519 8.493 1.00 0.00 C ATOM 341 CE2 TYR A 25 7.193 -6.035 8.546 1.00 0.00 C ATOM 342 CZ TYR A 25 6.477 -4.971 9.106 1.00 0.00 C ATOM 343 OH TYR A 25 6.930 -4.365 10.258 1.00 0.00 O ATOM 0 H TYR A 25 5.382 -9.231 6.102 1.00 0.00 H new ATOM 0 HA TYR A 25 3.155 -7.291 6.448 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.875 -7.447 5.043 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.794 -6.097 4.757 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.934 -4.784 6.847 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.284 -7.470 6.936 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.750 -3.697 8.924 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.100 -6.384 9.018 1.00 0.00 H new ATOM 0 HH TYR A 25 7.757 -4.801 10.553 1.00 0.00 H new ATOM 353 N CYS A 26 3.750 -8.762 3.555 1.00 0.00 N ATOM 354 CA CYS A 26 3.096 -9.066 2.238 1.00 0.00 C ATOM 355 C CYS A 26 2.325 -7.837 1.726 1.00 0.00 C ATOM 356 O CYS A 26 1.109 -7.805 1.775 1.00 0.00 O ATOM 357 CB CYS A 26 2.115 -10.232 2.493 1.00 0.00 C ATOM 358 SG CYS A 26 1.127 -10.522 0.991 1.00 0.00 S ATOM 0 H CYS A 26 4.692 -9.138 3.664 1.00 0.00 H new ATOM 0 HA CYS A 26 3.840 -9.328 1.485 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.665 -11.134 2.761 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.461 -9.996 3.333 1.00 0.00 H new ATOM 363 N VAL A 27 3.004 -6.831 1.217 1.00 0.00 N ATOM 364 CA VAL A 27 2.262 -5.645 0.694 1.00 0.00 C ATOM 365 C VAL A 27 2.482 -5.610 -0.804 1.00 0.00 C ATOM 366 O VAL A 27 3.551 -5.314 -1.281 1.00 0.00 O ATOM 367 CB VAL A 27 2.893 -4.424 1.347 1.00 0.00 C ATOM 368 CG1 VAL A 27 2.145 -3.183 0.872 1.00 0.00 C ATOM 369 CG2 VAL A 27 2.781 -4.538 2.866 1.00 0.00 C ATOM 0 H VAL A 27 4.020 -6.783 1.144 1.00 0.00 H new ATOM 0 HA VAL A 27 1.193 -5.677 0.906 1.00 0.00 H new ATOM 0 HB VAL A 27 3.946 -4.356 1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.583 -2.296 1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.220 -3.106 -0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.096 -3.258 1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.234 -3.662 3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.730 -4.597 3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.299 -5.436 3.203 1.00 0.00 H new ATOM 379 N CYS A 28 1.484 -5.985 -1.544 1.00 0.00 N ATOM 380 CA CYS A 28 1.655 -6.074 -3.016 1.00 0.00 C ATOM 381 C CYS A 28 0.778 -5.100 -3.790 1.00 0.00 C ATOM 382 O CYS A 28 -0.176 -4.543 -3.285 1.00 0.00 O ATOM 383 CB CYS A 28 1.234 -7.508 -3.326 1.00 0.00 C ATOM 384 SG CYS A 28 2.064 -8.653 -2.206 1.00 0.00 S ATOM 0 H CYS A 28 0.558 -6.234 -1.196 1.00 0.00 H new ATOM 0 HA CYS A 28 2.674 -5.822 -3.311 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.153 -7.608 -3.225 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.482 -7.753 -4.359 1.00 0.00 H new ATOM 389 N TYR A 29 1.120 -4.909 -5.037 1.00 0.00 N ATOM 390 CA TYR A 29 0.360 -3.996 -5.912 1.00 0.00 C ATOM 391 C TYR A 29 0.457 -4.493 -7.349 1.00 0.00 C ATOM 392 O TYR A 29 1.157 -5.442 -7.627 1.00 0.00 O ATOM 393 CB TYR A 29 1.078 -2.679 -5.842 1.00 0.00 C ATOM 394 CG TYR A 29 1.073 -2.127 -4.460 1.00 0.00 C ATOM 395 CD1 TYR A 29 2.016 -2.567 -3.545 1.00 0.00 C ATOM 396 CD2 TYR A 29 0.161 -1.135 -4.120 1.00 0.00 C ATOM 397 CE1 TYR A 29 2.051 -2.017 -2.266 1.00 0.00 C ATOM 398 CE2 TYR A 29 0.182 -0.580 -2.843 1.00 0.00 C ATOM 399 CZ TYR A 29 1.132 -1.020 -1.908 1.00 0.00 C ATOM 400 OH TYR A 29 1.167 -0.473 -0.640 1.00 0.00 O ATOM 0 H TYR A 29 1.915 -5.363 -5.487 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.686 -3.929 -5.612 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.106 -2.806 -6.180 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.605 -1.969 -6.520 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.723 -3.335 -3.823 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.563 -0.795 -4.845 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.785 -2.358 -1.551 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.530 0.186 -2.573 1.00 0.00 H new ATOM 0 HH TYR A 29 0.464 0.205 -0.557 1.00 0.00 H new ATOM 410 N ASP A 30 -0.207 -3.855 -8.271 1.00 0.00 N ATOM 411 CA ASP A 30 -0.104 -4.304 -9.681 1.00 0.00 C ATOM 412 C ASP A 30 1.154 -3.745 -10.363 1.00 0.00 C ATOM 413 O ASP A 30 1.832 -4.445 -11.090 1.00 0.00 O ATOM 414 CB ASP A 30 -1.379 -3.817 -10.356 1.00 0.00 C ATOM 415 CG ASP A 30 -1.279 -2.322 -10.680 1.00 0.00 C ATOM 416 OD1 ASP A 30 -0.716 -1.998 -11.713 1.00 0.00 O ATOM 417 OD2 ASP A 30 -1.765 -1.530 -9.889 1.00 0.00 O ATOM 0 H ASP A 30 -0.811 -3.049 -8.109 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.007 -5.387 -9.751 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.551 -4.383 -11.272 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.234 -3.997 -9.704 1.00 0.00 H new ATOM 422 N SER A 31 1.478 -2.499 -10.134 1.00 0.00 N ATOM 423 CA SER A 31 2.708 -1.923 -10.779 1.00 0.00 C ATOM 424 C SER A 31 3.934 -2.344 -9.969 1.00 0.00 C ATOM 425 O SER A 31 4.022 -2.007 -8.811 1.00 0.00 O ATOM 426 CB SER A 31 2.520 -0.415 -10.754 1.00 0.00 C ATOM 427 OG SER A 31 1.170 -0.104 -11.071 1.00 0.00 O ATOM 0 H SER A 31 0.955 -1.858 -9.537 1.00 0.00 H new ATOM 0 HA SER A 31 2.854 -2.273 -11.801 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.774 -0.022 -9.770 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.192 0.059 -11.470 1.00 0.00 H new ATOM 0 HG SER A 31 0.719 -0.907 -11.406 1.00 0.00 H new ATOM 433 N LYS A 32 4.885 -3.076 -10.527 1.00 0.00 N ATOM 434 CA LYS A 32 6.065 -3.465 -9.691 1.00 0.00 C ATOM 435 C LYS A 32 6.587 -2.176 -9.040 1.00 0.00 C ATOM 436 O LYS A 32 6.979 -2.143 -7.888 1.00 0.00 O ATOM 437 CB LYS A 32 7.105 -4.112 -10.652 1.00 0.00 C ATOM 438 CG LYS A 32 7.891 -3.051 -11.443 1.00 0.00 C ATOM 439 CD LYS A 32 9.163 -3.695 -12.027 1.00 0.00 C ATOM 440 CE LYS A 32 8.794 -4.483 -13.297 1.00 0.00 C ATOM 441 NZ LYS A 32 10.066 -5.121 -13.734 1.00 0.00 N ATOM 0 H LYS A 32 4.892 -3.408 -11.492 1.00 0.00 H new ATOM 0 HA LYS A 32 5.834 -4.182 -8.903 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.799 -4.725 -10.077 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.593 -4.778 -11.347 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.273 -2.646 -12.244 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.156 -2.218 -10.793 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.899 -2.926 -12.263 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.619 -4.359 -11.292 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.028 -5.230 -13.090 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.396 -3.824 -14.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.897 -5.677 -14.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.774 -4.385 -13.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.417 -5.747 -12.981 1.00 0.00 H new ATOM 455 N ALA A 33 6.538 -1.092 -9.775 1.00 0.00 N ATOM 456 CA ALA A 33 6.955 0.203 -9.223 1.00 0.00 C ATOM 457 C ALA A 33 6.098 0.531 -8.011 1.00 0.00 C ATOM 458 O ALA A 33 6.608 0.942 -7.008 1.00 0.00 O ATOM 459 CB ALA A 33 6.697 1.216 -10.336 1.00 0.00 C ATOM 0 H ALA A 33 6.221 -1.064 -10.744 1.00 0.00 H new ATOM 0 HA ALA A 33 7.998 0.206 -8.907 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.985 2.211 -9.997 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.284 0.948 -11.215 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.638 1.213 -10.592 1.00 0.00 H new ATOM 465 N ILE A 34 4.793 0.354 -8.078 1.00 0.00 N ATOM 466 CA ILE A 34 3.978 0.666 -6.894 1.00 0.00 C ATOM 467 C ILE A 34 4.454 -0.171 -5.723 1.00 0.00 C ATOM 468 O ILE A 34 4.331 0.193 -4.575 1.00 0.00 O ATOM 469 CB ILE A 34 2.577 0.350 -7.315 1.00 0.00 C ATOM 470 CG1 ILE A 34 2.054 1.497 -8.175 1.00 0.00 C ATOM 471 CG2 ILE A 34 1.688 0.211 -6.084 1.00 0.00 C ATOM 472 CD1 ILE A 34 0.539 1.411 -8.217 1.00 0.00 C ATOM 0 H ILE A 34 4.282 0.013 -8.892 1.00 0.00 H new ATOM 0 HA ILE A 34 4.050 1.701 -6.561 1.00 0.00 H new ATOM 0 HB ILE A 34 2.566 -0.584 -7.877 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.368 2.455 -7.761 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.466 1.434 -9.182 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.669 -0.019 -6.395 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.065 -0.593 -5.452 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.694 1.146 -5.524 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.145 2.223 -8.828 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.241 0.455 -8.648 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.142 1.492 -7.205 1.00 0.00 H new ATOM 484 N CYS A 35 5.027 -1.282 -6.026 1.00 0.00 N ATOM 485 CA CYS A 35 5.567 -2.154 -4.940 1.00 0.00 C ATOM 486 C CYS A 35 6.645 -1.354 -4.227 1.00 0.00 C ATOM 487 O CYS A 35 6.457 -0.908 -3.127 1.00 0.00 O ATOM 488 CB CYS A 35 6.181 -3.393 -5.609 1.00 0.00 C ATOM 489 SG CYS A 35 7.237 -4.257 -4.412 1.00 0.00 S ATOM 0 H CYS A 35 5.152 -1.637 -6.974 1.00 0.00 H new ATOM 0 HA CYS A 35 4.801 -2.465 -4.229 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.393 -4.058 -5.963 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.765 -3.098 -6.481 1.00 0.00 H new ATOM 494 N ASN A 36 7.759 -1.124 -4.862 1.00 0.00 N ATOM 495 CA ASN A 36 8.823 -0.298 -4.192 1.00 0.00 C ATOM 496 C ASN A 36 8.250 1.066 -3.743 1.00 0.00 C ATOM 497 O ASN A 36 8.419 1.492 -2.616 1.00 0.00 O ATOM 498 CB ASN A 36 9.905 -0.093 -5.274 1.00 0.00 C ATOM 499 CG ASN A 36 11.032 0.786 -4.721 1.00 0.00 C ATOM 500 OD1 ASN A 36 10.931 1.322 -3.635 1.00 0.00 O ATOM 501 ND2 ASN A 36 12.115 0.955 -5.431 1.00 0.00 N ATOM 0 H ASN A 36 7.985 -1.461 -5.798 1.00 0.00 H new ATOM 0 HA ASN A 36 9.216 -0.784 -3.299 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.305 -1.057 -5.589 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.467 0.374 -6.156 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.874 1.536 -5.074 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.202 0.506 -6.343 1.00 0.00 H new ATOM 508 N LYS A 37 7.614 1.753 -4.644 1.00 0.00 N ATOM 509 CA LYS A 37 7.044 3.108 -4.374 1.00 0.00 C ATOM 510 C LYS A 37 5.948 3.149 -3.288 1.00 0.00 C ATOM 511 O LYS A 37 6.191 3.543 -2.167 1.00 0.00 O ATOM 512 CB LYS A 37 6.458 3.529 -5.719 1.00 0.00 C ATOM 513 CG LYS A 37 6.204 5.040 -5.737 1.00 0.00 C ATOM 514 CD LYS A 37 4.943 5.367 -4.932 1.00 0.00 C ATOM 515 CE LYS A 37 4.269 6.616 -5.515 1.00 0.00 C ATOM 516 NZ LYS A 37 5.287 7.697 -5.387 1.00 0.00 N ATOM 0 H LYS A 37 7.457 1.421 -5.596 1.00 0.00 H new ATOM 0 HA LYS A 37 7.820 3.766 -3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.143 3.259 -6.523 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.526 2.994 -5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.061 5.566 -5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.090 5.386 -6.764 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.253 4.523 -4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.200 5.535 -3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.985 6.462 -6.556 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.358 6.864 -4.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.816 8.623 -5.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.789 7.596 -4.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.968 7.627 -6.170 1.00 0.00 H new ATOM 530 N ASN A 38 4.730 2.799 -3.638 1.00 0.00 N ATOM 531 CA ASN A 38 3.606 2.868 -2.690 1.00 0.00 C ATOM 532 C ASN A 38 3.798 1.975 -1.488 1.00 0.00 C ATOM 533 O ASN A 38 3.293 2.250 -0.416 1.00 0.00 O ATOM 534 CB ASN A 38 2.440 2.418 -3.522 1.00 0.00 C ATOM 535 CG ASN A 38 1.973 3.568 -4.405 1.00 0.00 C ATOM 536 OD1 ASN A 38 2.337 3.589 -5.651 1.00 0.00 O flip ATOM 537 ND2 ASN A 38 1.314 4.480 -3.945 1.00 0.00 N flip ATOM 0 H ASN A 38 4.478 2.462 -4.567 1.00 0.00 H new ATOM 0 HA ASN A 38 3.485 3.864 -2.263 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.726 1.566 -4.138 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.626 2.086 -2.877 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.030 4.460 -2.966 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.045 5.265 -4.538 1.00 0.00 H new ATOM 544 N CYS A 39 4.499 0.905 -1.651 1.00 0.00 N ATOM 545 CA CYS A 39 4.689 -0.015 -0.475 1.00 0.00 C ATOM 546 C CYS A 39 5.168 0.759 0.759 1.00 0.00 C ATOM 547 O CYS A 39 4.864 0.401 1.880 1.00 0.00 O ATOM 548 CB CYS A 39 5.751 -1.027 -0.869 1.00 0.00 C ATOM 549 SG CYS A 39 5.040 -2.218 -2.033 1.00 0.00 S ATOM 0 H CYS A 39 4.947 0.616 -2.520 1.00 0.00 H new ATOM 0 HA CYS A 39 3.744 -0.495 -0.223 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.602 -0.520 -1.324 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.123 -1.544 0.016 1.00 0.00 H new ATOM 554 N THR A 40 5.915 1.812 0.562 1.00 0.00 N ATOM 555 CA THR A 40 6.412 2.601 1.731 1.00 0.00 C ATOM 556 C THR A 40 5.289 3.482 2.290 1.00 0.00 C ATOM 557 O THR A 40 4.209 3.460 1.724 1.00 0.00 O ATOM 558 CB THR A 40 7.572 3.456 1.198 1.00 0.00 C ATOM 559 OG1 THR A 40 7.206 4.017 -0.052 1.00 0.00 O ATOM 560 CG2 THR A 40 8.840 2.593 1.028 1.00 0.00 C ATOM 561 OXT THR A 40 5.531 4.162 3.273 1.00 0.00 O ATOM 0 H THR A 40 6.203 2.160 -0.352 1.00 0.00 H new ATOM 0 HA THR A 40 6.743 1.957 2.546 1.00 0.00 H new ATOM 0 HB THR A 40 7.784 4.253 1.911 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.379 3.367 -0.765 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.653 3.212 0.650 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.124 2.170 1.992 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.639 1.787 0.322 1.00 0.00 H new TER 569 THR A 40