USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 403 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 32 HIS HD1 : A 32 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00221 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -65:sc= 0.762 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.4 X(o=-0.4,f=-0.82) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.36) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 72:sc= 1.2 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 0:sc= -0.862 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 174:sc= -3.23! (180deg=-3.38!) USER MOD Single : A 54 GLN : amide:sc=-0.00615 X(o=-0.0061,f=-0.13) USER MOD Single : A 56 GLN : amide:sc=-0.00017 X(o=-0.00017,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.289 11.515 20.473 1.00 0.00 N ATOM 2 CA GLY A 1 -11.258 10.662 21.034 1.00 0.00 C ATOM 3 C GLY A 1 -9.900 10.907 20.408 1.00 0.00 C ATOM 4 O GLY A 1 -9.286 11.951 20.627 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.198 11.309 20.934 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.039 12.512 20.631 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.370 11.336 19.452 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.195 10.832 22.109 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.537 9.618 20.892 1.00 0.00 H new ATOM 8 N SER A 2 -9.427 9.940 19.627 1.00 0.00 N ATOM 9 CA SER A 2 -8.129 10.053 18.972 1.00 0.00 C ATOM 10 C SER A 2 -7.972 8.988 17.891 1.00 0.00 C ATOM 11 O SER A 2 -7.898 9.300 16.702 1.00 0.00 O ATOM 12 CB SER A 2 -7.003 9.924 19.998 1.00 0.00 C ATOM 13 OG SER A 2 -7.327 8.968 20.993 1.00 0.00 O ATOM 0 H SER A 2 -9.923 9.070 19.433 1.00 0.00 H new ATOM 0 HA SER A 2 -8.071 11.035 18.502 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.081 9.632 19.496 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.820 10.892 20.465 1.00 0.00 H new ATOM 0 HG SER A 2 -6.590 8.903 21.636 1.00 0.00 H new ATOM 19 N SER A 3 -7.923 7.728 18.313 1.00 0.00 N ATOM 20 CA SER A 3 -7.771 6.616 17.382 1.00 0.00 C ATOM 21 C SER A 3 -8.839 5.554 17.626 1.00 0.00 C ATOM 22 O SER A 3 -9.389 5.451 18.722 1.00 0.00 O ATOM 23 CB SER A 3 -6.379 5.997 17.518 1.00 0.00 C ATOM 24 OG SER A 3 -5.559 6.338 16.414 1.00 0.00 O ATOM 0 H SER A 3 -7.986 7.452 19.293 1.00 0.00 H new ATOM 0 HA SER A 3 -7.892 7.002 16.370 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.913 6.342 18.441 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.465 4.913 17.590 1.00 0.00 H new ATOM 0 HG SER A 3 -4.674 5.932 16.526 1.00 0.00 H new ATOM 30 N GLY A 4 -9.127 4.765 16.595 1.00 0.00 N ATOM 31 CA GLY A 4 -10.127 3.721 16.717 1.00 0.00 C ATOM 32 C GLY A 4 -9.693 2.423 16.065 1.00 0.00 C ATOM 33 O GLY A 4 -8.780 2.410 15.239 1.00 0.00 O ATOM 0 H GLY A 4 -8.685 4.831 15.678 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.334 3.542 17.772 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.058 4.059 16.262 1.00 0.00 H new ATOM 37 N SER A 5 -10.347 1.328 16.437 1.00 0.00 N ATOM 38 CA SER A 5 -10.020 0.017 15.887 1.00 0.00 C ATOM 39 C SER A 5 -10.860 -0.277 14.648 1.00 0.00 C ATOM 40 O SER A 5 -11.786 -1.087 14.690 1.00 0.00 O ATOM 41 CB SER A 5 -10.243 -1.071 16.939 1.00 0.00 C ATOM 42 OG SER A 5 -10.239 -2.359 16.348 1.00 0.00 O ATOM 0 H SER A 5 -11.107 1.322 17.117 1.00 0.00 H new ATOM 0 HA SER A 5 -8.969 0.023 15.599 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.463 -1.013 17.698 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.193 -0.903 17.445 1.00 0.00 H new ATOM 0 HG SER A 5 -11.006 -2.444 15.744 1.00 0.00 H new ATOM 48 N SER A 6 -10.530 0.388 13.545 1.00 0.00 N ATOM 49 CA SER A 6 -11.255 0.202 12.294 1.00 0.00 C ATOM 50 C SER A 6 -10.720 -1.005 11.530 1.00 0.00 C ATOM 51 O SER A 6 -11.418 -2.002 11.353 1.00 0.00 O ATOM 52 CB SER A 6 -11.149 1.458 11.427 1.00 0.00 C ATOM 53 OG SER A 6 -12.016 2.476 11.896 1.00 0.00 O ATOM 0 H SER A 6 -9.765 1.061 13.493 1.00 0.00 H new ATOM 0 HA SER A 6 -12.303 0.022 12.533 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.121 1.821 11.431 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.396 1.213 10.394 1.00 0.00 H new ATOM 0 HG SER A 6 -11.928 3.269 11.326 1.00 0.00 H new ATOM 59 N GLY A 7 -9.473 -0.905 11.078 1.00 0.00 N ATOM 60 CA GLY A 7 -8.863 -1.994 10.337 1.00 0.00 C ATOM 61 C GLY A 7 -7.847 -1.508 9.323 1.00 0.00 C ATOM 62 O GLY A 7 -6.840 -0.900 9.685 1.00 0.00 O ATOM 0 H GLY A 7 -8.875 -0.090 11.212 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.378 -2.677 11.034 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.640 -2.561 9.825 1.00 0.00 H new ATOM 66 N HIS A 8 -8.109 -1.778 8.048 1.00 0.00 N ATOM 67 CA HIS A 8 -7.209 -1.365 6.978 1.00 0.00 C ATOM 68 C HIS A 8 -7.560 0.034 6.482 1.00 0.00 C ATOM 69 O HIS A 8 -8.705 0.471 6.590 1.00 0.00 O ATOM 70 CB HIS A 8 -7.270 -2.360 5.818 1.00 0.00 C ATOM 71 CG HIS A 8 -6.602 -3.667 6.115 1.00 0.00 C ATOM 72 ND1 HIS A 8 -6.860 -4.403 7.252 1.00 0.00 N ATOM 73 CD2 HIS A 8 -5.683 -4.371 5.414 1.00 0.00 C ATOM 74 CE1 HIS A 8 -6.127 -5.502 7.238 1.00 0.00 C ATOM 75 NE2 HIS A 8 -5.404 -5.507 6.133 1.00 0.00 N ATOM 0 H HIS A 8 -8.938 -2.281 7.731 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.195 -1.346 7.378 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.314 -2.544 5.563 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.802 -1.913 4.941 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.250 -4.091 4.465 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -6.120 -6.267 8.001 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.746 -6.236 5.858 1.00 0.00 H new ATOM 83 N GLU A 9 -6.566 0.732 5.940 1.00 0.00 N ATOM 84 CA GLU A 9 -6.772 2.082 5.430 1.00 0.00 C ATOM 85 C GLU A 9 -7.769 2.082 4.275 1.00 0.00 C ATOM 86 O GLU A 9 -8.395 1.063 3.982 1.00 0.00 O ATOM 87 CB GLU A 9 -5.442 2.685 4.971 1.00 0.00 C ATOM 88 CG GLU A 9 -4.307 2.480 5.959 1.00 0.00 C ATOM 89 CD GLU A 9 -3.134 3.405 5.701 1.00 0.00 C ATOM 90 OE1 GLU A 9 -2.831 3.665 4.518 1.00 0.00 O ATOM 91 OE2 GLU A 9 -2.519 3.870 6.684 1.00 0.00 O ATOM 0 H GLU A 9 -5.612 0.385 5.843 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.180 2.690 6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.164 2.243 4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.576 3.753 4.802 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.678 2.643 6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.967 1.446 5.907 1.00 0.00 H new ATOM 98 N ASP A 10 -7.910 3.231 3.623 1.00 0.00 N ATOM 99 CA ASP A 10 -8.830 3.364 2.499 1.00 0.00 C ATOM 100 C ASP A 10 -8.336 4.419 1.515 1.00 0.00 C ATOM 101 O ASP A 10 -9.125 5.023 0.787 1.00 0.00 O ATOM 102 CB ASP A 10 -10.229 3.730 2.998 1.00 0.00 C ATOM 103 CG ASP A 10 -10.655 2.896 4.191 1.00 0.00 C ATOM 104 OD1 ASP A 10 -11.214 1.799 3.979 1.00 0.00 O ATOM 105 OD2 ASP A 10 -10.428 3.339 5.336 1.00 0.00 O ATOM 0 H ASP A 10 -7.399 4.083 3.853 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.876 2.405 1.983 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.250 4.785 3.270 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.947 3.595 2.189 1.00 0.00 H new ATOM 110 N PHE A 11 -7.025 4.637 1.497 1.00 0.00 N ATOM 111 CA PHE A 11 -6.425 5.621 0.603 1.00 0.00 C ATOM 112 C PHE A 11 -5.043 5.166 0.143 1.00 0.00 C ATOM 113 O PHE A 11 -4.274 4.597 0.919 1.00 0.00 O ATOM 114 CB PHE A 11 -6.322 6.979 1.301 1.00 0.00 C ATOM 115 CG PHE A 11 -7.580 7.383 2.015 1.00 0.00 C ATOM 116 CD1 PHE A 11 -8.650 7.914 1.314 1.00 0.00 C ATOM 117 CD2 PHE A 11 -7.691 7.232 3.388 1.00 0.00 C ATOM 118 CE1 PHE A 11 -9.809 8.287 1.968 1.00 0.00 C ATOM 119 CE2 PHE A 11 -8.848 7.603 4.047 1.00 0.00 C ATOM 120 CZ PHE A 11 -9.908 8.132 3.337 1.00 0.00 C ATOM 0 H PHE A 11 -6.358 4.145 2.091 1.00 0.00 H new ATOM 0 HA PHE A 11 -7.066 5.719 -0.273 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.501 6.949 2.017 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.073 7.740 0.562 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.578 8.038 0.244 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -6.865 6.820 3.949 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.636 8.699 1.409 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -8.923 7.479 5.117 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.812 8.424 3.851 1.00 0.00 H new ATOM 130 N CYS A 12 -4.734 5.421 -1.124 1.00 0.00 N ATOM 131 CA CYS A 12 -3.446 5.039 -1.689 1.00 0.00 C ATOM 132 C CYS A 12 -2.298 5.558 -0.829 1.00 0.00 C ATOM 133 O CYS A 12 -2.328 6.695 -0.356 1.00 0.00 O ATOM 134 CB CYS A 12 -3.313 5.575 -3.116 1.00 0.00 C ATOM 135 SG CYS A 12 -1.817 5.007 -3.987 1.00 0.00 S ATOM 0 H CYS A 12 -5.359 5.891 -1.779 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.395 3.950 -1.711 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.190 5.274 -3.689 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.311 6.665 -3.085 1.00 0.00 H new ATOM 140 N SER A 13 -1.288 4.718 -0.630 1.00 0.00 N ATOM 141 CA SER A 13 -0.131 5.091 0.176 1.00 0.00 C ATOM 142 C SER A 13 0.995 5.624 -0.704 1.00 0.00 C ATOM 143 O SER A 13 2.171 5.353 -0.460 1.00 0.00 O ATOM 144 CB SER A 13 0.363 3.889 0.983 1.00 0.00 C ATOM 145 OG SER A 13 -0.410 3.711 2.157 1.00 0.00 O ATOM 0 H SER A 13 -1.247 3.775 -1.016 1.00 0.00 H new ATOM 0 HA SER A 13 -0.437 5.880 0.863 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.311 2.989 0.370 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.410 4.032 1.251 1.00 0.00 H new ATOM 0 HG SER A 13 -0.076 2.936 2.654 1.00 0.00 H new ATOM 151 N VAL A 14 0.627 6.385 -1.730 1.00 0.00 N ATOM 152 CA VAL A 14 1.605 6.958 -2.647 1.00 0.00 C ATOM 153 C VAL A 14 1.112 8.282 -3.219 1.00 0.00 C ATOM 154 O VAL A 14 1.851 9.266 -3.262 1.00 0.00 O ATOM 155 CB VAL A 14 1.918 5.995 -3.808 1.00 0.00 C ATOM 156 CG1 VAL A 14 2.915 6.624 -4.769 1.00 0.00 C ATOM 157 CG2 VAL A 14 2.442 4.671 -3.274 1.00 0.00 C ATOM 0 H VAL A 14 -0.342 6.619 -1.947 1.00 0.00 H new ATOM 0 HA VAL A 14 2.515 7.130 -2.072 1.00 0.00 H new ATOM 0 HB VAL A 14 0.996 5.800 -4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.124 5.929 -5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.497 7.544 -5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.840 6.850 -4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.658 4.002 -4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.354 4.844 -2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.690 4.216 -2.629 1.00 0.00 H new ATOM 167 N CYS A 15 -0.143 8.301 -3.656 1.00 0.00 N ATOM 168 CA CYS A 15 -0.737 9.505 -4.226 1.00 0.00 C ATOM 169 C CYS A 15 -1.894 10.000 -3.364 1.00 0.00 C ATOM 170 O CYS A 15 -2.247 11.179 -3.398 1.00 0.00 O ATOM 171 CB CYS A 15 -1.227 9.232 -5.650 1.00 0.00 C ATOM 172 SG CYS A 15 -2.606 8.046 -5.747 1.00 0.00 S ATOM 0 H CYS A 15 -0.769 7.496 -3.626 1.00 0.00 H new ATOM 0 HA CYS A 15 0.029 10.280 -4.255 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.539 10.173 -6.102 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.394 8.854 -6.243 1.00 0.00 H new ATOM 177 N ARG A 16 -2.481 9.092 -2.591 1.00 0.00 N ATOM 178 CA ARG A 16 -3.599 9.436 -1.721 1.00 0.00 C ATOM 179 C ARG A 16 -4.780 9.958 -2.534 1.00 0.00 C ATOM 180 O ARG A 16 -4.974 11.167 -2.661 1.00 0.00 O ATOM 181 CB ARG A 16 -3.169 10.485 -0.694 1.00 0.00 C ATOM 182 CG ARG A 16 -1.963 10.070 0.133 1.00 0.00 C ATOM 183 CD ARG A 16 -2.376 9.575 1.510 1.00 0.00 C ATOM 184 NE ARG A 16 -1.286 8.881 2.192 1.00 0.00 N ATOM 185 CZ ARG A 16 -1.437 8.219 3.333 1.00 0.00 C ATOM 186 NH1 ARG A 16 -2.626 8.160 3.917 1.00 0.00 N ATOM 187 NH2 ARG A 16 -0.398 7.612 3.892 1.00 0.00 N ATOM 0 H ARG A 16 -2.201 8.112 -2.550 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.912 8.532 -1.198 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.940 11.416 -1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.005 10.690 -0.025 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.416 9.285 -0.388 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.284 10.916 0.238 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.703 10.420 2.116 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.229 8.903 1.413 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.358 8.906 1.768 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.428 8.624 3.490 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.739 7.651 4.793 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.518 7.654 3.445 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.515 7.104 4.769 1.00 0.00 H new ATOM 201 N LYS A 17 -5.566 9.038 -3.083 1.00 0.00 N ATOM 202 CA LYS A 17 -6.729 9.403 -3.883 1.00 0.00 C ATOM 203 C LYS A 17 -7.889 8.446 -3.626 1.00 0.00 C ATOM 204 O LYS A 17 -7.683 7.301 -3.224 1.00 0.00 O ATOM 205 CB LYS A 17 -6.371 9.401 -5.371 1.00 0.00 C ATOM 206 CG LYS A 17 -5.689 10.676 -5.835 1.00 0.00 C ATOM 207 CD LYS A 17 -6.682 11.816 -5.986 1.00 0.00 C ATOM 208 CE LYS A 17 -6.012 13.071 -6.524 1.00 0.00 C ATOM 209 NZ LYS A 17 -5.918 14.137 -5.489 1.00 0.00 N ATOM 0 H LYS A 17 -5.418 8.033 -2.988 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.039 10.407 -3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.717 8.554 -5.577 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.280 9.252 -5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.916 10.958 -5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.191 10.497 -6.788 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.485 11.514 -6.659 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.139 12.032 -5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.013 12.824 -6.882 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.574 13.444 -7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.456 14.975 -5.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.873 14.391 -5.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.360 13.790 -4.683 1.00 0.00 H new ATOM 223 N SER A 18 -9.107 8.923 -3.863 1.00 0.00 N ATOM 224 CA SER A 18 -10.299 8.110 -3.655 1.00 0.00 C ATOM 225 C SER A 18 -10.475 7.104 -4.788 1.00 0.00 C ATOM 226 O SER A 18 -10.147 7.386 -5.940 1.00 0.00 O ATOM 227 CB SER A 18 -11.538 9.001 -3.552 1.00 0.00 C ATOM 228 OG SER A 18 -12.297 8.960 -4.748 1.00 0.00 O ATOM 0 H SER A 18 -9.294 9.868 -4.199 1.00 0.00 H new ATOM 0 HA SER A 18 -10.176 7.561 -2.721 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.155 8.675 -2.715 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.235 10.027 -3.345 1.00 0.00 H new ATOM 0 HG SER A 18 -13.084 9.536 -4.656 1.00 0.00 H new ATOM 234 N GLY A 19 -10.996 5.928 -4.452 1.00 0.00 N ATOM 235 CA GLY A 19 -11.207 4.897 -5.452 1.00 0.00 C ATOM 236 C GLY A 19 -10.830 3.517 -4.950 1.00 0.00 C ATOM 237 O GLY A 19 -10.332 3.371 -3.834 1.00 0.00 O ATOM 0 H GLY A 19 -11.276 5.671 -3.505 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.254 4.897 -5.754 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.619 5.130 -6.340 1.00 0.00 H new ATOM 241 N GLN A 20 -11.070 2.503 -5.775 1.00 0.00 N ATOM 242 CA GLN A 20 -10.754 1.128 -5.407 1.00 0.00 C ATOM 243 C GLN A 20 -9.262 0.965 -5.140 1.00 0.00 C ATOM 244 O GLN A 20 -8.427 1.415 -5.926 1.00 0.00 O ATOM 245 CB GLN A 20 -11.194 0.168 -6.514 1.00 0.00 C ATOM 246 CG GLN A 20 -11.307 -1.277 -6.055 1.00 0.00 C ATOM 247 CD GLN A 20 -12.195 -1.435 -4.836 1.00 0.00 C ATOM 248 OE1 GLN A 20 -11.740 -1.861 -3.774 1.00 0.00 O ATOM 249 NE2 GLN A 20 -13.469 -1.092 -4.983 1.00 0.00 N ATOM 0 H GLN A 20 -11.482 2.608 -6.702 1.00 0.00 H new ATOM 0 HA GLN A 20 -11.296 0.890 -4.492 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.158 0.493 -6.904 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.482 0.225 -7.337 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.704 -1.883 -6.870 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.312 -1.661 -5.827 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.803 -0.744 -5.882 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.114 -1.177 -4.197 1.00 0.00 H new ATOM 258 N LEU A 21 -8.932 0.320 -4.026 1.00 0.00 N ATOM 259 CA LEU A 21 -7.539 0.098 -3.655 1.00 0.00 C ATOM 260 C LEU A 21 -7.294 -1.368 -3.313 1.00 0.00 C ATOM 261 O LEU A 21 -8.191 -2.064 -2.837 1.00 0.00 O ATOM 262 CB LEU A 21 -7.161 0.981 -2.464 1.00 0.00 C ATOM 263 CG LEU A 21 -6.429 2.282 -2.799 1.00 0.00 C ATOM 264 CD1 LEU A 21 -6.895 3.406 -1.886 1.00 0.00 C ATOM 265 CD2 LEU A 21 -4.924 2.090 -2.687 1.00 0.00 C ATOM 0 H LEU A 21 -9.610 -0.058 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.915 0.362 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.071 1.230 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.534 0.398 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.665 2.556 -3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.364 4.324 -2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.966 3.559 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.689 3.141 -0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.419 3.025 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.670 1.793 -1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.603 1.314 -3.382 1.00 0.00 H new ATOM 277 N LEU A 22 -6.073 -1.831 -3.558 1.00 0.00 N ATOM 278 CA LEU A 22 -5.708 -3.214 -3.274 1.00 0.00 C ATOM 279 C LEU A 22 -5.411 -3.406 -1.790 1.00 0.00 C ATOM 280 O LEU A 22 -5.001 -2.471 -1.103 1.00 0.00 O ATOM 281 CB LEU A 22 -4.491 -3.623 -4.105 1.00 0.00 C ATOM 282 CG LEU A 22 -4.407 -5.099 -4.493 1.00 0.00 C ATOM 283 CD1 LEU A 22 -5.621 -5.505 -5.315 1.00 0.00 C ATOM 284 CD2 LEU A 22 -3.124 -5.377 -5.262 1.00 0.00 C ATOM 0 H LEU A 22 -5.319 -1.269 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.553 -3.848 -3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.483 -3.027 -5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.591 -3.363 -3.547 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.396 -5.694 -3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.544 -6.559 -5.582 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.527 -5.344 -4.730 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.664 -4.903 -6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.082 -6.433 -5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.105 -4.772 -6.168 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.265 -5.126 -4.640 1.00 0.00 H new ATOM 296 N MET A 23 -5.620 -4.625 -1.302 1.00 0.00 N ATOM 297 CA MET A 23 -5.371 -4.939 0.100 1.00 0.00 C ATOM 298 C MET A 23 -4.328 -6.044 0.232 1.00 0.00 C ATOM 299 O MET A 23 -4.384 -7.053 -0.471 1.00 0.00 O ATOM 300 CB MET A 23 -6.671 -5.364 0.787 1.00 0.00 C ATOM 301 CG MET A 23 -7.781 -4.332 0.678 1.00 0.00 C ATOM 302 SD MET A 23 -8.389 -3.793 2.288 1.00 0.00 S ATOM 303 CE MET A 23 -9.955 -3.055 1.829 1.00 0.00 C ATOM 0 H MET A 23 -5.961 -5.410 -1.856 1.00 0.00 H new ATOM 0 HA MET A 23 -4.988 -4.042 0.586 1.00 0.00 H new ATOM 0 HB2 MET A 23 -7.014 -6.302 0.350 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.469 -5.558 1.840 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.415 -3.467 0.124 1.00 0.00 H new ATOM 0 HG3 MET A 23 -8.607 -4.752 0.104 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.453 -2.674 2.721 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.781 -2.235 1.132 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.586 -3.806 1.354 1.00 0.00 H new ATOM 313 N CYS A 24 -3.376 -5.847 1.138 1.00 0.00 N ATOM 314 CA CYS A 24 -2.319 -6.825 1.363 1.00 0.00 C ATOM 315 C CYS A 24 -2.822 -7.984 2.219 1.00 0.00 C ATOM 316 O CYS A 24 -3.648 -7.796 3.113 1.00 0.00 O ATOM 317 CB CYS A 24 -1.117 -6.162 2.039 1.00 0.00 C ATOM 318 SG CYS A 24 0.289 -7.285 2.324 1.00 0.00 S ATOM 0 H CYS A 24 -3.315 -5.018 1.729 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.012 -7.219 0.394 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.782 -5.327 1.423 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.435 -5.746 2.995 1.00 0.00 H new ATOM 323 N ASP A 25 -2.320 -9.181 1.938 1.00 0.00 N ATOM 324 CA ASP A 25 -2.718 -10.370 2.682 1.00 0.00 C ATOM 325 C ASP A 25 -1.728 -10.665 3.804 1.00 0.00 C ATOM 326 O ASP A 25 -1.354 -11.816 4.032 1.00 0.00 O ATOM 327 CB ASP A 25 -2.818 -11.575 1.744 1.00 0.00 C ATOM 328 CG ASP A 25 -3.984 -12.481 2.088 1.00 0.00 C ATOM 329 OD1 ASP A 25 -3.894 -13.205 3.102 1.00 0.00 O ATOM 330 OD2 ASP A 25 -4.987 -12.465 1.344 1.00 0.00 O ATOM 0 H ASP A 25 -1.637 -9.354 1.201 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.696 -10.181 3.124 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.924 -11.225 0.717 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.891 -12.147 1.791 1.00 0.00 H new ATOM 335 N THR A 26 -1.305 -9.617 4.504 1.00 0.00 N ATOM 336 CA THR A 26 -0.357 -9.763 5.602 1.00 0.00 C ATOM 337 C THR A 26 -0.398 -8.553 6.529 1.00 0.00 C ATOM 338 O THR A 26 -0.806 -8.659 7.686 1.00 0.00 O ATOM 339 CB THR A 26 1.081 -9.947 5.081 1.00 0.00 C ATOM 340 OG1 THR A 26 1.083 -9.984 3.649 1.00 0.00 O ATOM 341 CG2 THR A 26 1.695 -11.227 5.627 1.00 0.00 C ATOM 0 H THR A 26 -1.604 -8.657 4.330 1.00 0.00 H new ATOM 0 HA THR A 26 -0.652 -10.653 6.158 1.00 0.00 H new ATOM 0 HB THR A 26 1.678 -9.102 5.423 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.902 -9.087 3.298 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.710 -11.335 5.245 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.719 -11.183 6.716 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.096 -12.081 5.312 1.00 0.00 H new ATOM 349 N CYS A 27 0.025 -7.404 6.013 1.00 0.00 N ATOM 350 CA CYS A 27 0.036 -6.173 6.795 1.00 0.00 C ATOM 351 C CYS A 27 -1.275 -5.410 6.626 1.00 0.00 C ATOM 352 O CYS A 27 -2.236 -5.925 6.055 1.00 0.00 O ATOM 353 CB CYS A 27 1.211 -5.288 6.375 1.00 0.00 C ATOM 354 SG CYS A 27 1.050 -4.581 4.704 1.00 0.00 S ATOM 0 H CYS A 27 0.365 -7.299 5.057 1.00 0.00 H new ATOM 0 HA CYS A 27 0.148 -6.440 7.846 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.314 -4.475 7.093 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.129 -5.874 6.423 1.00 0.00 H new ATOM 359 N SER A 28 -1.305 -4.179 7.126 1.00 0.00 N ATOM 360 CA SER A 28 -2.499 -3.346 7.034 1.00 0.00 C ATOM 361 C SER A 28 -2.219 -2.084 6.224 1.00 0.00 C ATOM 362 O SER A 28 -2.188 -0.979 6.765 1.00 0.00 O ATOM 363 CB SER A 28 -2.992 -2.968 8.433 1.00 0.00 C ATOM 364 OG SER A 28 -3.325 -4.122 9.185 1.00 0.00 O ATOM 0 H SER A 28 -0.517 -3.736 7.599 1.00 0.00 H new ATOM 0 HA SER A 28 -3.274 -3.920 6.526 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.220 -2.401 8.953 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.864 -2.319 8.352 1.00 0.00 H new ATOM 0 HG SER A 28 -3.636 -3.854 10.075 1.00 0.00 H new ATOM 370 N ARG A 29 -2.016 -2.258 4.922 1.00 0.00 N ATOM 371 CA ARG A 29 -1.737 -1.134 4.035 1.00 0.00 C ATOM 372 C ARG A 29 -2.347 -1.366 2.656 1.00 0.00 C ATOM 373 O ARG A 29 -2.382 -2.494 2.163 1.00 0.00 O ATOM 374 CB ARG A 29 -0.228 -0.919 3.908 1.00 0.00 C ATOM 375 CG ARG A 29 0.509 -0.973 5.237 1.00 0.00 C ATOM 376 CD ARG A 29 1.989 -0.669 5.066 1.00 0.00 C ATOM 377 NE ARG A 29 2.633 -0.351 6.338 1.00 0.00 N ATOM 378 CZ ARG A 29 2.575 0.845 6.912 1.00 0.00 C ATOM 379 NH1 ARG A 29 1.905 1.831 6.331 1.00 0.00 N ATOM 380 NH2 ARG A 29 3.187 1.057 8.070 1.00 0.00 N ATOM 0 H ARG A 29 -2.039 -3.166 4.458 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.189 -0.241 4.468 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.184 -1.678 3.243 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.045 0.048 3.440 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.067 -0.256 5.929 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.388 -1.961 5.681 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.485 -1.527 4.613 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.110 0.169 4.379 1.00 0.00 H new ATOM 0 HE ARG A 29 3.156 -1.088 6.811 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.433 1.672 5.441 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.862 2.749 6.774 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.703 0.301 8.520 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.142 1.976 8.510 1.00 0.00 H new ATOM 394 N VAL A 30 -2.825 -0.292 2.037 1.00 0.00 N ATOM 395 CA VAL A 30 -3.433 -0.377 0.715 1.00 0.00 C ATOM 396 C VAL A 30 -2.566 0.311 -0.334 1.00 0.00 C ATOM 397 O VAL A 30 -1.851 1.267 -0.033 1.00 0.00 O ATOM 398 CB VAL A 30 -4.837 0.255 0.700 1.00 0.00 C ATOM 399 CG1 VAL A 30 -5.813 -0.591 1.503 1.00 0.00 C ATOM 400 CG2 VAL A 30 -4.785 1.678 1.235 1.00 0.00 C ATOM 0 H VAL A 30 -2.803 0.649 2.431 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.518 -1.437 0.474 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.190 0.291 -0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.800 -0.128 1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.871 -1.590 1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.469 -0.662 2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.786 2.110 1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.412 1.668 2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.120 2.277 0.612 1.00 0.00 H new ATOM 410 N TYR A 31 -2.634 -0.182 -1.565 1.00 0.00 N ATOM 411 CA TYR A 31 -1.854 0.384 -2.659 1.00 0.00 C ATOM 412 C TYR A 31 -2.590 0.236 -3.987 1.00 0.00 C ATOM 413 O TYR A 31 -3.117 -0.831 -4.303 1.00 0.00 O ATOM 414 CB TYR A 31 -0.486 -0.295 -2.743 1.00 0.00 C ATOM 415 CG TYR A 31 0.274 -0.289 -1.436 1.00 0.00 C ATOM 416 CD1 TYR A 31 1.013 0.821 -1.045 1.00 0.00 C ATOM 417 CD2 TYR A 31 0.253 -1.393 -0.593 1.00 0.00 C ATOM 418 CE1 TYR A 31 1.709 0.830 0.148 1.00 0.00 C ATOM 419 CE2 TYR A 31 0.945 -1.391 0.603 1.00 0.00 C ATOM 420 CZ TYR A 31 1.672 -0.278 0.968 1.00 0.00 C ATOM 421 OH TYR A 31 2.364 -0.272 2.158 1.00 0.00 O ATOM 0 H TYR A 31 -3.221 -0.973 -1.831 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.713 1.446 -2.459 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.621 -1.326 -3.070 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.113 0.206 -3.504 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.044 1.691 -1.684 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.314 -2.267 -0.877 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.279 1.700 0.437 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.916 -2.257 1.248 1.00 0.00 H new ATOM 0 HH TYR A 31 2.823 0.587 2.265 1.00 0.00 H new ATOM 431 N HIS A 32 -2.622 1.315 -4.763 1.00 0.00 N ATOM 432 CA HIS A 32 -3.292 1.307 -6.058 1.00 0.00 C ATOM 433 C HIS A 32 -2.716 0.221 -6.961 1.00 0.00 C ATOM 434 O HIS A 32 -1.806 -0.510 -6.567 1.00 0.00 O ATOM 435 CB HIS A 32 -3.159 2.672 -6.734 1.00 0.00 C ATOM 436 CG HIS A 32 -4.262 3.623 -6.384 1.00 0.00 C ATOM 437 ND1 HIS A 32 -4.104 4.993 -6.391 1.00 0.00 N ATOM 438 CD2 HIS A 32 -5.544 3.396 -6.017 1.00 0.00 C ATOM 439 CE1 HIS A 32 -5.241 5.567 -6.041 1.00 0.00 C ATOM 440 NE2 HIS A 32 -6.132 4.620 -5.810 1.00 0.00 N ATOM 0 H HIS A 32 -2.191 2.206 -4.517 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.348 1.094 -5.891 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.204 3.116 -6.453 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.140 2.533 -7.815 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.017 2.431 -5.907 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.413 6.630 -5.958 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.099 4.773 -5.524 1.00 0.00 H new ATOM 448 N LEU A 33 -3.251 0.119 -8.173 1.00 0.00 N ATOM 449 CA LEU A 33 -2.790 -0.879 -9.132 1.00 0.00 C ATOM 450 C LEU A 33 -1.664 -0.323 -9.997 1.00 0.00 C ATOM 451 O LEU A 33 -0.836 -1.073 -10.514 1.00 0.00 O ATOM 452 CB LEU A 33 -3.950 -1.337 -10.017 1.00 0.00 C ATOM 453 CG LEU A 33 -4.874 -2.397 -9.417 1.00 0.00 C ATOM 454 CD1 LEU A 33 -6.019 -2.708 -10.369 1.00 0.00 C ATOM 455 CD2 LEU A 33 -4.093 -3.662 -9.089 1.00 0.00 C ATOM 0 H LEU A 33 -4.005 0.715 -8.515 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.407 -1.734 -8.575 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.550 -0.465 -10.275 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.538 -1.727 -10.948 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.294 -2.003 -8.492 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.666 -3.464 -9.925 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.595 -1.801 -10.554 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.618 -3.082 -11.311 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.767 -4.405 -8.663 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.644 -4.059 -10.000 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.308 -3.429 -8.369 1.00 0.00 H new ATOM 467 N ASP A 34 -1.637 0.997 -10.148 1.00 0.00 N ATOM 468 CA ASP A 34 -0.610 1.654 -10.948 1.00 0.00 C ATOM 469 C ASP A 34 0.468 2.261 -10.055 1.00 0.00 C ATOM 470 O ASP A 34 1.582 2.533 -10.506 1.00 0.00 O ATOM 471 CB ASP A 34 -1.234 2.741 -11.825 1.00 0.00 C ATOM 472 CG ASP A 34 -1.914 2.172 -13.055 1.00 0.00 C ATOM 473 OD1 ASP A 34 -2.510 1.080 -12.951 1.00 0.00 O ATOM 474 OD2 ASP A 34 -1.850 2.820 -14.121 1.00 0.00 O ATOM 0 H ASP A 34 -2.314 1.633 -9.727 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.147 0.903 -11.588 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.961 3.304 -11.239 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.460 3.444 -12.133 1.00 0.00 H new ATOM 479 N CYS A 35 0.130 2.472 -8.788 1.00 0.00 N ATOM 480 CA CYS A 35 1.068 3.048 -7.831 1.00 0.00 C ATOM 481 C CYS A 35 1.735 1.956 -6.999 1.00 0.00 C ATOM 482 O CYS A 35 1.649 1.957 -5.770 1.00 0.00 O ATOM 483 CB CYS A 35 0.348 4.037 -6.913 1.00 0.00 C ATOM 484 SG CYS A 35 -0.722 5.222 -7.789 1.00 0.00 S ATOM 0 H CYS A 35 -0.787 2.253 -8.399 1.00 0.00 H new ATOM 0 HA CYS A 35 1.840 3.577 -8.389 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.256 3.479 -6.198 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.091 4.591 -6.339 1.00 0.00 H new ATOM 489 N LEU A 36 2.399 1.026 -7.677 1.00 0.00 N ATOM 490 CA LEU A 36 3.082 -0.072 -7.001 1.00 0.00 C ATOM 491 C LEU A 36 4.571 -0.072 -7.331 1.00 0.00 C ATOM 492 O LEU A 36 5.056 0.795 -8.057 1.00 0.00 O ATOM 493 CB LEU A 36 2.458 -1.410 -7.401 1.00 0.00 C ATOM 494 CG LEU A 36 1.148 -1.775 -6.703 1.00 0.00 C ATOM 495 CD1 LEU A 36 0.623 -3.107 -7.216 1.00 0.00 C ATOM 496 CD2 LEU A 36 1.342 -1.822 -5.195 1.00 0.00 C ATOM 0 H LEU A 36 2.479 1.010 -8.694 1.00 0.00 H new ATOM 0 HA LEU A 36 2.967 0.068 -5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.282 -1.399 -8.477 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.183 -2.200 -7.204 1.00 0.00 H new ATOM 0 HG LEU A 36 0.411 -1.005 -6.931 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.310 -3.350 -6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.445 -3.039 -8.289 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.358 -3.888 -7.019 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.399 -2.083 -4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.095 -2.571 -4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.672 -0.846 -4.840 1.00 0.00 H new ATOM 508 N ASP A 37 5.290 -1.052 -6.795 1.00 0.00 N ATOM 509 CA ASP A 37 6.723 -1.169 -7.035 1.00 0.00 C ATOM 510 C ASP A 37 7.163 -2.629 -7.001 1.00 0.00 C ATOM 511 O ASP A 37 7.418 -3.201 -5.941 1.00 0.00 O ATOM 512 CB ASP A 37 7.503 -0.363 -5.995 1.00 0.00 C ATOM 513 CG ASP A 37 7.933 0.994 -6.516 1.00 0.00 C ATOM 514 OD1 ASP A 37 8.999 1.071 -7.163 1.00 0.00 O ATOM 515 OD2 ASP A 37 7.203 1.979 -6.278 1.00 0.00 O ATOM 0 H ASP A 37 4.903 -1.777 -6.191 1.00 0.00 H new ATOM 0 HA ASP A 37 6.934 -0.769 -8.027 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.886 -0.229 -5.107 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.384 -0.927 -5.689 1.00 0.00 H new ATOM 520 N PRO A 38 7.255 -3.248 -8.187 1.00 0.00 N ATOM 521 CA PRO A 38 6.954 -2.577 -9.455 1.00 0.00 C ATOM 522 C PRO A 38 5.467 -2.279 -9.615 1.00 0.00 C ATOM 523 O PRO A 38 4.627 -2.771 -8.862 1.00 0.00 O ATOM 524 CB PRO A 38 7.413 -3.588 -10.509 1.00 0.00 C ATOM 525 CG PRO A 38 7.332 -4.910 -9.827 1.00 0.00 C ATOM 526 CD PRO A 38 7.659 -4.651 -8.382 1.00 0.00 C ATOM 0 HA PRO A 38 7.447 -1.608 -9.530 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.774 -3.558 -11.391 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.429 -3.377 -10.844 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.337 -5.342 -9.931 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.035 -5.619 -10.265 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.112 -5.322 -7.720 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.720 -4.796 -8.178 1.00 0.00 H new ATOM 534 N PRO A 39 5.133 -1.455 -10.619 1.00 0.00 N ATOM 535 CA PRO A 39 3.746 -1.074 -10.901 1.00 0.00 C ATOM 536 C PRO A 39 2.926 -2.236 -11.452 1.00 0.00 C ATOM 537 O PRO A 39 3.471 -3.168 -12.044 1.00 0.00 O ATOM 538 CB PRO A 39 3.888 0.027 -11.956 1.00 0.00 C ATOM 539 CG PRO A 39 5.193 -0.250 -12.619 1.00 0.00 C ATOM 540 CD PRO A 39 6.083 -0.832 -11.556 1.00 0.00 C ATOM 0 HA PRO A 39 3.220 -0.756 -10.001 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.066 -0.002 -12.672 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.878 1.017 -11.499 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.069 -0.946 -13.448 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.623 0.663 -13.031 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.778 -1.563 -11.970 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.682 -0.063 -11.069 1.00 0.00 H new ATOM 548 N LEU A 40 1.614 -2.174 -11.254 1.00 0.00 N ATOM 549 CA LEU A 40 0.718 -3.222 -11.731 1.00 0.00 C ATOM 550 C LEU A 40 -0.277 -2.667 -12.745 1.00 0.00 C ATOM 551 O LEU A 40 -0.271 -1.474 -13.049 1.00 0.00 O ATOM 552 CB LEU A 40 -0.031 -3.854 -10.557 1.00 0.00 C ATOM 553 CG LEU A 40 0.518 -5.188 -10.050 1.00 0.00 C ATOM 554 CD1 LEU A 40 -0.298 -5.687 -8.868 1.00 0.00 C ATOM 555 CD2 LEU A 40 0.526 -6.220 -11.168 1.00 0.00 C ATOM 0 H LEU A 40 1.147 -1.409 -10.767 1.00 0.00 H new ATOM 0 HA LEU A 40 1.321 -3.986 -12.222 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.031 -3.146 -9.729 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.070 -4.000 -10.851 1.00 0.00 H new ATOM 0 HG LEU A 40 1.544 -5.034 -9.717 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.108 -6.637 -8.521 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.253 -4.957 -8.060 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.335 -5.825 -9.174 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.920 -7.163 -10.790 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.491 -6.371 -11.531 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.155 -5.866 -11.985 1.00 0.00 H new ATOM 567 N LYS A 41 -1.134 -3.540 -13.263 1.00 0.00 N ATOM 568 CA LYS A 41 -2.139 -3.138 -14.240 1.00 0.00 C ATOM 569 C LYS A 41 -3.478 -3.810 -13.952 1.00 0.00 C ATOM 570 O LYS A 41 -4.429 -3.161 -13.515 1.00 0.00 O ATOM 571 CB LYS A 41 -1.675 -3.490 -15.655 1.00 0.00 C ATOM 572 CG LYS A 41 -2.746 -3.293 -16.714 1.00 0.00 C ATOM 573 CD LYS A 41 -2.251 -3.702 -18.091 1.00 0.00 C ATOM 574 CE LYS A 41 -2.760 -2.758 -19.170 1.00 0.00 C ATOM 575 NZ LYS A 41 -1.707 -2.445 -20.175 1.00 0.00 N ATOM 0 H LYS A 41 -1.153 -4.531 -13.022 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.270 -2.059 -14.165 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.810 -2.877 -15.907 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.346 -4.529 -15.672 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.628 -3.879 -16.454 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.053 -2.247 -16.732 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.161 -3.711 -18.099 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.580 -4.718 -18.310 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.618 -3.207 -19.671 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.108 -1.834 -18.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.093 -1.799 -20.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.899 -1.993 -19.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.392 -3.324 -20.633 1.00 0.00 H new ATOM 589 N THR A 42 -3.545 -5.115 -14.197 1.00 0.00 N ATOM 590 CA THR A 42 -4.767 -5.874 -13.964 1.00 0.00 C ATOM 591 C THR A 42 -4.763 -6.508 -12.577 1.00 0.00 C ATOM 592 O THR A 42 -3.886 -6.229 -11.759 1.00 0.00 O ATOM 593 CB THR A 42 -4.952 -6.980 -15.020 1.00 0.00 C ATOM 594 OG1 THR A 42 -3.980 -8.013 -14.824 1.00 0.00 O ATOM 595 CG2 THR A 42 -4.820 -6.412 -16.426 1.00 0.00 C ATOM 0 H THR A 42 -2.767 -5.668 -14.557 1.00 0.00 H new ATOM 0 HA THR A 42 -5.596 -5.170 -14.038 1.00 0.00 H new ATOM 0 HB THR A 42 -5.952 -7.398 -14.906 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.106 -8.713 -15.498 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.954 -7.211 -17.155 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.580 -5.647 -16.582 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.831 -5.971 -16.549 1.00 0.00 H new ATOM 603 N ILE A 43 -5.749 -7.362 -12.320 1.00 0.00 N ATOM 604 CA ILE A 43 -5.857 -8.036 -11.032 1.00 0.00 C ATOM 605 C ILE A 43 -4.773 -9.097 -10.874 1.00 0.00 C ATOM 606 O ILE A 43 -4.746 -10.103 -11.584 1.00 0.00 O ATOM 607 CB ILE A 43 -7.237 -8.698 -10.858 1.00 0.00 C ATOM 608 CG1 ILE A 43 -8.348 -7.657 -11.004 1.00 0.00 C ATOM 609 CG2 ILE A 43 -7.325 -9.390 -9.505 1.00 0.00 C ATOM 610 CD1 ILE A 43 -8.247 -6.522 -10.009 1.00 0.00 C ATOM 0 H ILE A 43 -6.483 -7.603 -12.986 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.729 -7.273 -10.264 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.365 -9.449 -11.637 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.321 -7.248 -12.014 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.313 -8.149 -10.885 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.306 -9.853 -9.396 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.552 -10.156 -9.437 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.180 -8.657 -8.711 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.067 -5.822 -10.171 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.305 -6.920 -8.996 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.297 -6.005 -10.142 1.00 0.00 H new ATOM 622 N PRO A 44 -3.858 -8.870 -9.920 1.00 0.00 N ATOM 623 CA PRO A 44 -2.755 -9.797 -9.645 1.00 0.00 C ATOM 624 C PRO A 44 -3.236 -11.098 -9.011 1.00 0.00 C ATOM 625 O PRO A 44 -3.270 -11.229 -7.788 1.00 0.00 O ATOM 626 CB PRO A 44 -1.875 -9.018 -8.664 1.00 0.00 C ATOM 627 CG PRO A 44 -2.802 -8.059 -8.001 1.00 0.00 C ATOM 628 CD PRO A 44 -3.829 -7.693 -9.037 1.00 0.00 C ATOM 0 HA PRO A 44 -2.239 -10.099 -10.556 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.408 -9.683 -7.938 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.070 -8.496 -9.182 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.272 -8.511 -7.128 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.267 -7.176 -7.653 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.804 -7.504 -8.587 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.548 -6.790 -9.580 1.00 0.00 H new ATOM 636 N LYS A 45 -3.607 -12.058 -9.852 1.00 0.00 N ATOM 637 CA LYS A 45 -4.085 -13.350 -9.375 1.00 0.00 C ATOM 638 C LYS A 45 -3.102 -13.960 -8.380 1.00 0.00 C ATOM 639 O LYS A 45 -1.945 -13.548 -8.304 1.00 0.00 O ATOM 640 CB LYS A 45 -4.295 -14.305 -10.552 1.00 0.00 C ATOM 641 CG LYS A 45 -5.678 -14.211 -11.172 1.00 0.00 C ATOM 642 CD LYS A 45 -5.603 -13.865 -12.650 1.00 0.00 C ATOM 643 CE LYS A 45 -5.291 -15.090 -13.495 1.00 0.00 C ATOM 644 NZ LYS A 45 -5.009 -14.730 -14.912 1.00 0.00 N ATOM 0 H LYS A 45 -3.586 -11.965 -10.868 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.037 -13.193 -8.868 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.548 -14.095 -11.317 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.126 -15.327 -10.214 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.200 -15.159 -11.045 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.262 -13.453 -10.649 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.550 -13.432 -12.972 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.836 -13.107 -12.809 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.431 -15.611 -13.075 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.133 -15.781 -13.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.801 -15.593 -15.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.839 -14.255 -15.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.190 -14.090 -14.951 1.00 0.00 H new ATOM 658 N GLY A 46 -3.570 -14.946 -7.621 1.00 0.00 N ATOM 659 CA GLY A 46 -2.719 -15.597 -6.643 1.00 0.00 C ATOM 660 C GLY A 46 -2.447 -14.722 -5.436 1.00 0.00 C ATOM 661 O GLY A 46 -2.585 -13.501 -5.503 1.00 0.00 O ATOM 0 H GLY A 46 -4.524 -15.305 -7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.190 -16.524 -6.317 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.773 -15.868 -7.112 1.00 0.00 H new ATOM 665 N MET A 47 -2.062 -15.346 -4.328 1.00 0.00 N ATOM 666 CA MET A 47 -1.771 -14.615 -3.100 1.00 0.00 C ATOM 667 C MET A 47 -0.776 -13.488 -3.362 1.00 0.00 C ATOM 668 O MET A 47 0.422 -13.728 -3.509 1.00 0.00 O ATOM 669 CB MET A 47 -1.216 -15.563 -2.035 1.00 0.00 C ATOM 670 CG MET A 47 -1.000 -14.900 -0.685 1.00 0.00 C ATOM 671 SD MET A 47 -0.470 -16.067 0.584 1.00 0.00 S ATOM 672 CE MET A 47 1.007 -15.258 1.192 1.00 0.00 C ATOM 0 H MET A 47 -1.944 -16.357 -4.255 1.00 0.00 H new ATOM 0 HA MET A 47 -2.702 -14.179 -2.737 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.902 -16.401 -1.913 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.269 -15.974 -2.384 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.252 -14.114 -0.786 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.926 -14.420 -0.368 1.00 0.00 H new ATOM 0 HE1 MET A 47 1.392 -15.803 2.054 1.00 0.00 H new ATOM 0 HE2 MET A 47 1.762 -15.241 0.406 1.00 0.00 H new ATOM 0 HE3 MET A 47 0.767 -14.236 1.487 1.00 0.00 H new ATOM 682 N TRP A 48 -1.281 -12.261 -3.418 1.00 0.00 N ATOM 683 CA TRP A 48 -0.436 -11.098 -3.662 1.00 0.00 C ATOM 684 C TRP A 48 0.022 -10.473 -2.349 1.00 0.00 C ATOM 685 O TRP A 48 -0.698 -10.506 -1.351 1.00 0.00 O ATOM 686 CB TRP A 48 -1.188 -10.062 -4.499 1.00 0.00 C ATOM 687 CG TRP A 48 -0.343 -8.888 -4.891 1.00 0.00 C ATOM 688 CD1 TRP A 48 0.506 -8.808 -5.958 1.00 0.00 C ATOM 689 CD2 TRP A 48 -0.265 -7.626 -4.219 1.00 0.00 C ATOM 690 NE1 TRP A 48 1.108 -7.574 -5.989 1.00 0.00 N ATOM 691 CE2 TRP A 48 0.651 -6.829 -4.934 1.00 0.00 C ATOM 692 CE3 TRP A 48 -0.880 -7.091 -3.084 1.00 0.00 C ATOM 693 CZ2 TRP A 48 0.965 -5.529 -4.548 1.00 0.00 C ATOM 694 CZ3 TRP A 48 -0.567 -5.800 -2.703 1.00 0.00 C ATOM 695 CH2 TRP A 48 0.348 -5.030 -3.433 1.00 0.00 C ATOM 0 H TRP A 48 -2.271 -12.046 -3.298 1.00 0.00 H new ATOM 0 HA TRP A 48 0.445 -11.429 -4.212 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -1.571 -10.542 -5.400 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.051 -9.707 -3.935 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.679 -9.599 -6.673 1.00 0.00 H new ATOM 0 HE1 TRP A 48 1.786 -7.263 -6.685 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.587 -7.676 -2.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 1.671 -4.935 -5.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.036 -5.377 -1.827 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.571 -4.024 -3.110 1.00 0.00 H new ATOM 706 N ILE A 49 1.222 -9.903 -2.357 1.00 0.00 N ATOM 707 CA ILE A 49 1.775 -9.269 -1.166 1.00 0.00 C ATOM 708 C ILE A 49 2.515 -7.984 -1.520 1.00 0.00 C ATOM 709 O ILE A 49 3.371 -7.971 -2.405 1.00 0.00 O ATOM 710 CB ILE A 49 2.736 -10.213 -0.420 1.00 0.00 C ATOM 711 CG1 ILE A 49 2.043 -11.542 -0.109 1.00 0.00 C ATOM 712 CG2 ILE A 49 3.236 -9.558 0.859 1.00 0.00 C ATOM 713 CD1 ILE A 49 2.942 -12.546 0.578 1.00 0.00 C ATOM 0 H ILE A 49 1.830 -9.867 -3.175 1.00 0.00 H new ATOM 0 HA ILE A 49 0.933 -9.033 -0.515 1.00 0.00 H new ATOM 0 HB ILE A 49 3.594 -10.414 -1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.176 -11.351 0.523 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.672 -11.975 -1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.914 -10.238 1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.763 -8.636 0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.389 -9.330 1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.385 -13.463 0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.797 -12.766 -0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.293 -12.133 1.524 1.00 0.00 H new ATOM 725 N CYS A 50 2.180 -6.904 -0.822 1.00 0.00 N ATOM 726 CA CYS A 50 2.813 -5.612 -1.060 1.00 0.00 C ATOM 727 C CYS A 50 4.333 -5.731 -0.991 1.00 0.00 C ATOM 728 O CYS A 50 4.883 -6.609 -0.326 1.00 0.00 O ATOM 729 CB CYS A 50 2.324 -4.585 -0.038 1.00 0.00 C ATOM 730 SG CYS A 50 2.981 -4.836 1.642 1.00 0.00 S ATOM 0 H CYS A 50 1.473 -6.898 -0.086 1.00 0.00 H new ATOM 0 HA CYS A 50 2.537 -5.278 -2.060 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.602 -3.588 -0.380 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.235 -4.617 0.001 1.00 0.00 H new ATOM 735 N PRO A 51 5.029 -4.826 -1.695 1.00 0.00 N ATOM 736 CA PRO A 51 6.495 -4.807 -1.730 1.00 0.00 C ATOM 737 C PRO A 51 7.101 -4.381 -0.397 1.00 0.00 C ATOM 738 O PRO A 51 8.305 -4.514 -0.181 1.00 0.00 O ATOM 739 CB PRO A 51 6.811 -3.774 -2.815 1.00 0.00 C ATOM 740 CG PRO A 51 5.619 -2.880 -2.845 1.00 0.00 C ATOM 741 CD PRO A 51 4.440 -3.751 -2.511 1.00 0.00 C ATOM 0 HA PRO A 51 6.911 -5.795 -1.929 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.718 -3.217 -2.579 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.972 -4.252 -3.781 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.721 -2.069 -2.124 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.500 -2.421 -3.827 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.677 -3.201 -1.960 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.963 -4.144 -3.409 1.00 0.00 H new ATOM 749 N ARG A 52 6.258 -3.869 0.495 1.00 0.00 N ATOM 750 CA ARG A 52 6.711 -3.423 1.807 1.00 0.00 C ATOM 751 C ARG A 52 6.904 -4.609 2.747 1.00 0.00 C ATOM 752 O ARG A 52 7.678 -4.538 3.702 1.00 0.00 O ATOM 753 CB ARG A 52 5.708 -2.438 2.409 1.00 0.00 C ATOM 754 CG ARG A 52 6.293 -1.062 2.681 1.00 0.00 C ATOM 755 CD ARG A 52 6.575 -0.859 4.161 1.00 0.00 C ATOM 756 NE ARG A 52 6.350 0.523 4.577 1.00 0.00 N ATOM 757 CZ ARG A 52 7.165 1.525 4.268 1.00 0.00 C ATOM 758 NH1 ARG A 52 8.253 1.300 3.543 1.00 0.00 N ATOM 759 NH2 ARG A 52 6.893 2.756 4.683 1.00 0.00 N ATOM 0 H ARG A 52 5.258 -3.753 0.332 1.00 0.00 H new ATOM 0 HA ARG A 52 7.671 -2.921 1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.861 -2.336 1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.322 -2.850 3.341 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.216 -0.939 2.114 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.600 -0.296 2.333 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.937 -1.522 4.746 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.607 -1.139 4.375 1.00 0.00 H new ATOM 0 HE ARG A 52 5.522 0.730 5.135 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.465 0.356 3.221 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.877 2.071 3.307 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.057 2.933 5.240 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.520 3.525 4.445 1.00 0.00 H new ATOM 773 N CYS A 53 6.195 -5.698 2.471 1.00 0.00 N ATOM 774 CA CYS A 53 6.286 -6.899 3.292 1.00 0.00 C ATOM 775 C CYS A 53 7.453 -7.776 2.846 1.00 0.00 C ATOM 776 O CYS A 53 8.297 -8.159 3.654 1.00 0.00 O ATOM 777 CB CYS A 53 4.980 -7.693 3.217 1.00 0.00 C ATOM 778 SG CYS A 53 3.684 -7.100 4.351 1.00 0.00 S ATOM 0 H CYS A 53 5.550 -5.773 1.684 1.00 0.00 H new ATOM 0 HA CYS A 53 6.459 -6.592 4.323 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.601 -7.653 2.196 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.190 -8.739 3.438 1.00 0.00 H new ATOM 783 N GLN A 54 7.492 -8.088 1.554 1.00 0.00 N ATOM 784 CA GLN A 54 8.555 -8.919 1.001 1.00 0.00 C ATOM 785 C GLN A 54 9.927 -8.375 1.387 1.00 0.00 C ATOM 786 O GLN A 54 10.885 -9.133 1.539 1.00 0.00 O ATOM 787 CB GLN A 54 8.432 -8.994 -0.522 1.00 0.00 C ATOM 788 CG GLN A 54 7.142 -9.642 -0.997 1.00 0.00 C ATOM 789 CD GLN A 54 7.387 -10.859 -1.868 1.00 0.00 C ATOM 790 OE1 GLN A 54 8.191 -11.728 -1.529 1.00 0.00 O ATOM 791 NE2 GLN A 54 6.693 -10.927 -2.998 1.00 0.00 N ATOM 0 H GLN A 54 6.800 -7.778 0.871 1.00 0.00 H new ATOM 0 HA GLN A 54 8.452 -9.922 1.416 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.496 -7.987 -0.933 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.278 -9.555 -0.919 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.546 -9.933 -0.132 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.557 -8.912 -1.556 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.037 -10.184 -3.239 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.816 -11.722 -3.625 1.00 0.00 H new ATOM 800 N ASP A 55 10.014 -7.059 1.543 1.00 0.00 N ATOM 801 CA ASP A 55 11.269 -6.414 1.911 1.00 0.00 C ATOM 802 C ASP A 55 11.042 -4.948 2.267 1.00 0.00 C ATOM 803 O ASP A 55 10.118 -4.313 1.761 1.00 0.00 O ATOM 804 CB ASP A 55 12.278 -6.524 0.767 1.00 0.00 C ATOM 805 CG ASP A 55 11.646 -6.280 -0.589 1.00 0.00 C ATOM 806 OD1 ASP A 55 11.142 -7.250 -1.192 1.00 0.00 O ATOM 807 OD2 ASP A 55 11.654 -5.118 -1.046 1.00 0.00 O ATOM 0 H ASP A 55 9.230 -6.418 1.420 1.00 0.00 H new ATOM 0 HA ASP A 55 11.669 -6.924 2.787 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.081 -5.804 0.925 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.731 -7.515 0.780 1.00 0.00 H new ATOM 812 N GLN A 56 11.892 -4.419 3.141 1.00 0.00 N ATOM 813 CA GLN A 56 11.783 -3.028 3.566 1.00 0.00 C ATOM 814 C GLN A 56 10.395 -2.738 4.127 1.00 0.00 C ATOM 815 O GLN A 56 10.240 -1.782 4.885 1.00 0.00 O ATOM 816 CB GLN A 56 12.079 -2.090 2.394 1.00 0.00 C ATOM 817 CG GLN A 56 12.777 -0.804 2.806 1.00 0.00 C ATOM 818 CD GLN A 56 12.493 0.343 1.857 1.00 0.00 C ATOM 819 OE1 GLN A 56 11.350 0.778 1.714 1.00 0.00 O ATOM 820 NE2 GLN A 56 13.536 0.842 1.202 1.00 0.00 N ATOM 0 H GLN A 56 12.663 -4.932 3.568 1.00 0.00 H new ATOM 0 HA GLN A 56 12.517 -2.856 4.354 1.00 0.00 H new ATOM 0 HB2 GLN A 56 12.700 -2.614 1.668 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.143 -1.841 1.893 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.457 -0.527 3.811 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.852 -0.977 2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 56 14.466 0.451 1.351 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.406 1.616 0.550 1.00 0.00 H new TER 829 GLN A 56 HETATM 830 ZN ZN A 201 -2.234 5.909 -6.159 1.00 0.00 ZN HETATM 831 ZN ZN A 401 1.951 -6.097 3.106 1.00 0.00 ZN