USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 290 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 CYS N :NH3+ -116:sc= 0.106 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0374 USER MOD Single : A 4 LYS NZ :NH3+ -159:sc= -0.0248 (180deg=-0.252) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 10 ASN : amide:sc= -1.21 K(o=-1.2,f=-13!) USER MOD Single : A 13 TYR OH : rot 108:sc= 0.0032 USER MOD Single : A 15 THR OG1 : rot -2:sc= 0.616 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.311 K(o=-0.31,f=-2.6) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0488 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -2.44! C(o=-2.4!,f=-4.5!) USER MOD Single : A 37 SER OG : rot 180:sc= -1.11 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 1.514 -1.506 1.436 1.00 31.15 N ATOM 2 CA CYS A 1 2.012 -1.264 0.088 1.00 61.11 C ATOM 3 C CYS A 1 3.241 -2.122 -0.200 1.00 52.12 C ATOM 4 O CYS A 1 3.736 -2.829 0.677 1.00 61.14 O ATOM 5 CB CYS A 1 2.356 0.216 -0.093 1.00 73.34 C ATOM 6 SG CYS A 1 3.860 0.743 0.789 1.00 53.32 S ATOM 0 H1 CYS A 1 0.561 -1.920 1.385 1.00 31.15 H new ATOM 0 H2 CYS A 1 2.151 -2.164 1.929 1.00 31.15 H new ATOM 0 H3 CYS A 1 1.474 -0.607 1.958 1.00 31.15 H new ATOM 0 HA CYS A 1 1.227 -1.537 -0.617 1.00 61.11 H new ATOM 0 HB2 CYS A 1 2.480 0.422 -1.156 1.00 73.34 H new ATOM 0 HB3 CYS A 1 1.516 0.818 0.252 1.00 73.34 H new ATOM 11 N ALA A 2 3.727 -2.053 -1.435 1.00 62.11 N ATOM 12 CA ALA A 2 4.899 -2.821 -1.839 1.00 14.15 C ATOM 13 C ALA A 2 6.151 -1.951 -1.841 1.00 1.00 C ATOM 14 O ALA A 2 6.081 -0.746 -2.085 1.00 22.45 O ATOM 15 CB ALA A 2 4.679 -3.437 -3.212 1.00 54.44 C ATOM 0 H ALA A 2 3.328 -1.473 -2.173 1.00 62.11 H new ATOM 0 HA ALA A 2 5.046 -3.621 -1.114 1.00 14.15 H new ATOM 0 HB1 ALA A 2 5.562 -4.007 -3.501 1.00 54.44 H new ATOM 0 HB2 ALA A 2 3.814 -4.099 -3.179 1.00 54.44 H new ATOM 0 HB3 ALA A 2 4.503 -2.646 -3.942 1.00 54.44 H new ATOM 21 N SER A 3 7.296 -2.569 -1.568 1.00 13.23 N ATOM 22 CA SER A 3 8.564 -1.849 -1.534 1.00 33.40 C ATOM 23 C SER A 3 9.388 -2.142 -2.784 1.00 72.11 C ATOM 24 O SER A 3 8.984 -2.932 -3.638 1.00 53.41 O ATOM 25 CB SER A 3 9.359 -2.232 -0.284 1.00 75.41 C ATOM 26 OG SER A 3 10.462 -1.363 -0.095 1.00 73.32 O ATOM 0 H SER A 3 7.372 -3.566 -1.367 1.00 13.23 H new ATOM 0 HA SER A 3 8.347 -0.781 -1.505 1.00 33.40 H new ATOM 0 HB2 SER A 3 8.709 -2.195 0.590 1.00 75.41 H new ATOM 0 HB3 SER A 3 9.713 -3.259 -0.375 1.00 75.41 H new ATOM 0 HG SER A 3 10.953 -1.628 0.711 1.00 73.32 H new ATOM 32 N LYS A 4 10.546 -1.500 -2.885 1.00 4.31 N ATOM 33 CA LYS A 4 11.430 -1.690 -4.029 1.00 4.02 C ATOM 34 C LYS A 4 11.880 -3.144 -4.133 1.00 40.20 C ATOM 35 O LYS A 4 12.175 -3.786 -3.126 1.00 13.42 O ATOM 36 CB LYS A 4 12.651 -0.774 -3.914 1.00 22.40 C ATOM 37 CG LYS A 4 13.606 -1.170 -2.801 1.00 33.13 C ATOM 38 CD LYS A 4 14.786 -0.217 -2.713 1.00 13.13 C ATOM 39 CE LYS A 4 15.893 -0.611 -3.678 1.00 4.42 C ATOM 40 NZ LYS A 4 16.575 -1.866 -3.257 1.00 60.15 N ATOM 0 H LYS A 4 10.895 -0.843 -2.188 1.00 4.31 H new ATOM 0 HA LYS A 4 10.875 -1.434 -4.932 1.00 4.02 H new ATOM 0 HB2 LYS A 4 13.189 -0.779 -4.862 1.00 22.40 H new ATOM 0 HB3 LYS A 4 12.313 0.248 -3.745 1.00 22.40 H new ATOM 0 HG2 LYS A 4 13.074 -1.180 -1.850 1.00 33.13 H new ATOM 0 HG3 LYS A 4 13.968 -2.183 -2.974 1.00 33.13 H new ATOM 0 HD2 LYS A 4 14.453 0.797 -2.934 1.00 13.13 H new ATOM 0 HD3 LYS A 4 15.175 -0.210 -1.695 1.00 13.13 H new ATOM 0 HE2 LYS A 4 15.475 -0.742 -4.676 1.00 4.42 H new ATOM 0 HE3 LYS A 4 16.623 0.196 -3.742 1.00 4.42 H new ATOM 0 HZ1 LYS A 4 17.514 -1.917 -3.701 1.00 60.15 H new ATOM 0 HZ2 LYS A 4 16.680 -1.874 -2.222 1.00 60.15 H new ATOM 0 HZ3 LYS A 4 16.007 -2.686 -3.553 1.00 60.15 H new ATOM 54 N ASN A 5 11.932 -3.656 -5.358 1.00 75.23 N ATOM 55 CA ASN A 5 12.346 -5.034 -5.594 1.00 25.45 C ATOM 56 C ASN A 5 11.252 -6.011 -5.175 1.00 74.24 C ATOM 57 O ASN A 5 11.450 -7.225 -5.193 1.00 60.44 O ATOM 58 CB ASN A 5 13.636 -5.338 -4.828 1.00 60.43 C ATOM 59 CG ASN A 5 14.454 -6.433 -5.486 1.00 21.14 C ATOM 60 OD1 ASN A 5 14.800 -6.342 -6.664 1.00 20.43 O ATOM 61 ND2 ASN A 5 14.767 -7.475 -4.725 1.00 22.42 N ATOM 0 H ASN A 5 11.693 -3.137 -6.203 1.00 75.23 H new ATOM 0 HA ASN A 5 12.527 -5.155 -6.662 1.00 25.45 H new ATOM 0 HB2 ASN A 5 14.237 -4.431 -4.759 1.00 60.43 H new ATOM 0 HB3 ASN A 5 13.389 -5.635 -3.809 1.00 60.43 H new ATOM 0 HD21 ASN A 5 15.316 -8.243 -5.112 1.00 22.42 H new ATOM 0 HD22 ASN A 5 14.459 -7.508 -3.753 1.00 22.42 H new ATOM 68 N GLU A 6 10.096 -5.471 -4.800 1.00 62.30 N ATOM 69 CA GLU A 6 8.970 -6.296 -4.377 1.00 41.43 C ATOM 70 C GLU A 6 7.947 -6.436 -5.501 1.00 33.04 C ATOM 71 O GLU A 6 7.819 -5.556 -6.352 1.00 65.12 O ATOM 72 CB GLU A 6 8.305 -5.693 -3.139 1.00 15.44 C ATOM 73 CG GLU A 6 9.284 -5.340 -2.032 1.00 23.21 C ATOM 74 CD GLU A 6 9.848 -6.566 -1.339 1.00 53.14 C ATOM 75 OE1 GLU A 6 9.050 -7.370 -0.813 1.00 43.12 O ATOM 76 OE2 GLU A 6 11.087 -6.721 -1.324 1.00 51.13 O ATOM 0 H GLU A 6 9.915 -4.467 -4.781 1.00 62.30 H new ATOM 0 HA GLU A 6 9.350 -7.287 -4.129 1.00 41.43 H new ATOM 0 HB2 GLU A 6 7.761 -4.795 -3.431 1.00 15.44 H new ATOM 0 HB3 GLU A 6 7.571 -6.399 -2.751 1.00 15.44 H new ATOM 0 HG2 GLU A 6 10.103 -4.754 -2.449 1.00 23.21 H new ATOM 0 HG3 GLU A 6 8.784 -4.710 -1.297 1.00 23.21 H new ATOM 83 N ARG A 7 7.220 -7.549 -5.495 1.00 41.23 N ATOM 84 CA ARG A 7 6.209 -7.806 -6.514 1.00 64.00 C ATOM 85 C ARG A 7 5.053 -6.817 -6.395 1.00 23.22 C ATOM 86 O ARG A 7 4.453 -6.673 -5.329 1.00 74.45 O ATOM 87 CB ARG A 7 5.685 -9.238 -6.392 1.00 14.20 C ATOM 88 CG ARG A 7 5.148 -9.574 -5.010 1.00 61.12 C ATOM 89 CD ARG A 7 5.840 -10.796 -4.426 1.00 41.31 C ATOM 90 NE ARG A 7 5.284 -11.172 -3.129 1.00 3.31 N ATOM 91 CZ ARG A 7 5.539 -12.329 -2.528 1.00 13.42 C ATOM 92 NH1 ARG A 7 6.336 -13.217 -3.104 1.00 22.52 N ATOM 93 NH2 ARG A 7 4.995 -12.598 -1.348 1.00 23.13 N ATOM 0 H ARG A 7 7.312 -8.286 -4.796 1.00 41.23 H new ATOM 0 HA ARG A 7 6.673 -7.678 -7.492 1.00 64.00 H new ATOM 0 HB2 ARG A 7 4.894 -9.391 -7.127 1.00 14.20 H new ATOM 0 HB3 ARG A 7 6.488 -9.932 -6.639 1.00 14.20 H new ATOM 0 HG2 ARG A 7 5.291 -8.722 -4.346 1.00 61.12 H new ATOM 0 HG3 ARG A 7 4.075 -9.756 -5.070 1.00 61.12 H new ATOM 0 HD2 ARG A 7 5.744 -11.633 -5.118 1.00 41.31 H new ATOM 0 HD3 ARG A 7 6.905 -10.593 -4.318 1.00 41.31 H new ATOM 0 HE ARG A 7 4.666 -10.510 -2.659 1.00 3.31 H new ATOM 0 HH11 ARG A 7 6.755 -13.013 -4.011 1.00 22.52 H new ATOM 0 HH12 ARG A 7 6.530 -14.105 -2.640 1.00 22.52 H new ATOM 0 HH21 ARG A 7 4.381 -11.916 -0.902 1.00 23.13 H new ATOM 0 HH22 ARG A 7 5.191 -13.486 -0.887 1.00 23.13 H new ATOM 107 N CYS A 8 4.747 -6.137 -7.495 1.00 23.43 N ATOM 108 CA CYS A 8 3.665 -5.161 -7.514 1.00 74.35 C ATOM 109 C CYS A 8 2.631 -5.517 -8.580 1.00 3.42 C ATOM 110 O CYS A 8 2.772 -6.513 -9.288 1.00 53.41 O ATOM 111 CB CYS A 8 4.219 -3.759 -7.773 1.00 52.05 C ATOM 112 SG CYS A 8 5.217 -3.623 -9.291 1.00 51.42 S ATOM 0 H CYS A 8 5.234 -6.244 -8.385 1.00 23.43 H new ATOM 0 HA CYS A 8 3.177 -5.177 -6.539 1.00 74.35 H new ATOM 0 HB2 CYS A 8 3.388 -3.057 -7.833 1.00 52.05 H new ATOM 0 HB3 CYS A 8 4.829 -3.458 -6.921 1.00 52.05 H new ATOM 117 N GLY A 9 1.593 -4.693 -8.687 1.00 34.41 N ATOM 118 CA GLY A 9 0.551 -4.937 -9.668 1.00 30.15 C ATOM 119 C GLY A 9 0.568 -3.925 -10.796 1.00 5.24 C ATOM 120 O GLY A 9 1.268 -2.915 -10.722 1.00 34.33 O ATOM 0 H GLY A 9 1.455 -3.862 -8.113 1.00 34.41 H new ATOM 0 HA2 GLY A 9 0.672 -5.939 -10.081 1.00 30.15 H new ATOM 0 HA3 GLY A 9 -0.421 -4.911 -9.175 1.00 30.15 H new ATOM 124 N ASN A 10 -0.202 -4.196 -11.844 1.00 71.11 N ATOM 125 CA ASN A 10 -0.271 -3.302 -12.994 1.00 44.21 C ATOM 126 C ASN A 10 -1.490 -3.616 -13.855 1.00 52.53 C ATOM 127 O ASN A 10 -1.555 -4.662 -14.500 1.00 1.22 O ATOM 128 CB ASN A 10 1.004 -3.418 -13.833 1.00 53.50 C ATOM 129 CG ASN A 10 1.101 -2.334 -14.889 1.00 51.33 C ATOM 130 OD1 ASN A 10 0.098 -1.939 -15.483 1.00 53.34 O ATOM 131 ND2 ASN A 10 2.313 -1.848 -15.128 1.00 44.40 N ATOM 0 H ASN A 10 -0.787 -5.028 -11.921 1.00 71.11 H new ATOM 0 HA ASN A 10 -0.363 -2.281 -12.624 1.00 44.21 H new ATOM 0 HB2 ASN A 10 1.873 -3.362 -13.178 1.00 53.50 H new ATOM 0 HB3 ASN A 10 1.031 -4.395 -14.315 1.00 53.50 H new ATOM 0 HD21 ASN A 10 2.441 -1.117 -15.828 1.00 44.40 H new ATOM 0 HD22 ASN A 10 3.117 -2.205 -14.611 1.00 44.40 H new ATOM 138 N ALA A 11 -2.455 -2.701 -13.861 1.00 64.22 N ATOM 139 CA ALA A 11 -3.671 -2.879 -14.645 1.00 3.31 C ATOM 140 C ALA A 11 -3.353 -3.003 -16.131 1.00 41.21 C ATOM 141 O ALA A 11 -4.006 -3.755 -16.855 1.00 61.35 O ATOM 142 CB ALA A 11 -4.628 -1.721 -14.403 1.00 32.21 C ATOM 0 H ALA A 11 -2.418 -1.830 -13.332 1.00 64.22 H new ATOM 0 HA ALA A 11 -4.149 -3.805 -14.324 1.00 3.31 H new ATOM 0 HB1 ALA A 11 -5.532 -1.866 -14.994 1.00 32.21 H new ATOM 0 HB2 ALA A 11 -4.889 -1.680 -13.346 1.00 32.21 H new ATOM 0 HB3 ALA A 11 -4.149 -0.786 -14.695 1.00 32.21 H new ATOM 148 N LEU A 12 -2.347 -2.260 -16.580 1.00 71.21 N ATOM 149 CA LEU A 12 -1.943 -2.287 -17.982 1.00 3.35 C ATOM 150 C LEU A 12 -1.507 -3.688 -18.396 1.00 61.42 C ATOM 151 O LEU A 12 -1.506 -4.024 -19.581 1.00 21.23 O ATOM 152 CB LEU A 12 -0.804 -1.294 -18.223 1.00 52.11 C ATOM 153 CG LEU A 12 -1.020 0.120 -17.682 1.00 33.20 C ATOM 154 CD1 LEU A 12 0.227 0.965 -17.884 1.00 45.32 C ATOM 155 CD2 LEU A 12 -2.222 0.770 -18.353 1.00 23.32 C ATOM 0 H LEU A 12 -1.797 -1.632 -15.994 1.00 71.21 H new ATOM 0 HA LEU A 12 -2.802 -2.000 -18.588 1.00 3.35 H new ATOM 0 HB2 LEU A 12 0.104 -1.698 -17.775 1.00 52.11 H new ATOM 0 HB3 LEU A 12 -0.628 -1.228 -19.297 1.00 52.11 H new ATOM 0 HG LEU A 12 -1.219 0.053 -16.612 1.00 33.20 H new ATOM 0 HD11 LEU A 12 0.054 1.968 -17.493 1.00 45.32 H new ATOM 0 HD12 LEU A 12 1.065 0.509 -17.357 1.00 45.32 H new ATOM 0 HD13 LEU A 12 0.457 1.025 -18.948 1.00 45.32 H new ATOM 0 HD21 LEU A 12 -2.361 1.776 -17.956 1.00 23.32 H new ATOM 0 HD22 LEU A 12 -2.053 0.825 -19.428 1.00 23.32 H new ATOM 0 HD23 LEU A 12 -3.114 0.176 -18.156 1.00 23.32 H new ATOM 167 N TYR A 13 -1.139 -4.503 -17.413 1.00 52.24 N ATOM 168 CA TYR A 13 -0.701 -5.868 -17.676 1.00 32.51 C ATOM 169 C TYR A 13 -1.762 -6.874 -17.239 1.00 23.35 C ATOM 170 O TYR A 13 -1.473 -8.055 -17.050 1.00 33.31 O ATOM 171 CB TYR A 13 0.616 -6.152 -16.952 1.00 0.01 C ATOM 172 CG TYR A 13 1.842 -5.842 -17.781 1.00 53.50 C ATOM 173 CD1 TYR A 13 2.219 -4.528 -18.034 1.00 21.33 C ATOM 174 CD2 TYR A 13 2.622 -6.861 -18.313 1.00 12.14 C ATOM 175 CE1 TYR A 13 3.338 -4.240 -18.791 1.00 53.42 C ATOM 176 CE2 TYR A 13 3.743 -6.582 -19.070 1.00 12.40 C ATOM 177 CZ TYR A 13 4.097 -5.270 -19.307 1.00 15.43 C ATOM 178 OH TYR A 13 5.212 -4.987 -20.062 1.00 33.32 O ATOM 0 H TYR A 13 -1.136 -4.241 -16.427 1.00 52.24 H new ATOM 0 HA TYR A 13 -0.547 -5.973 -18.750 1.00 32.51 H new ATOM 0 HB2 TYR A 13 0.650 -5.565 -16.034 1.00 0.01 H new ATOM 0 HB3 TYR A 13 0.641 -7.202 -16.660 1.00 0.01 H new ATOM 0 HD1 TYR A 13 1.627 -3.719 -17.632 1.00 21.33 H new ATOM 0 HD2 TYR A 13 2.347 -7.889 -18.131 1.00 12.14 H new ATOM 0 HE1 TYR A 13 3.617 -3.214 -18.978 1.00 53.42 H new ATOM 0 HE2 TYR A 13 4.339 -7.387 -19.474 1.00 12.40 H new ATOM 0 HH TYR A 13 6.018 -5.199 -19.547 1.00 33.32 H new ATOM 188 N GLY A 14 -2.992 -6.396 -17.080 1.00 11.04 N ATOM 189 CA GLY A 14 -4.078 -7.265 -16.666 1.00 73.13 C ATOM 190 C GLY A 14 -3.792 -7.966 -15.353 1.00 72.22 C ATOM 191 O GLY A 14 -4.338 -9.035 -15.079 1.00 35.32 O ATOM 0 H GLY A 14 -3.256 -5.422 -17.230 1.00 11.04 H new ATOM 0 HA2 GLY A 14 -4.992 -6.679 -16.570 1.00 73.13 H new ATOM 0 HA3 GLY A 14 -4.258 -8.011 -17.441 1.00 73.13 H new ATOM 195 N THR A 15 -2.931 -7.365 -14.538 1.00 13.40 N ATOM 196 CA THR A 15 -2.571 -7.939 -13.248 1.00 31.00 C ATOM 197 C THR A 15 -2.996 -7.028 -12.102 1.00 41.43 C ATOM 198 O THR A 15 -2.596 -5.865 -12.039 1.00 1.12 O ATOM 199 CB THR A 15 -1.055 -8.195 -13.150 1.00 52.25 C ATOM 200 OG1 THR A 15 -0.336 -6.987 -13.423 1.00 51.12 O ATOM 201 CG2 THR A 15 -0.625 -9.278 -14.128 1.00 33.54 C ATOM 0 H THR A 15 -2.470 -6.480 -14.749 1.00 13.40 H new ATOM 0 HA THR A 15 -3.099 -8.889 -13.167 1.00 31.00 H new ATOM 0 HB THR A 15 -0.830 -8.531 -12.138 1.00 52.25 H new ATOM 0 HG1 THR A 15 -0.969 -6.271 -13.638 1.00 51.12 H new ATOM 0 HG21 THR A 15 0.449 -9.441 -14.041 1.00 33.54 H new ATOM 0 HG22 THR A 15 -1.153 -10.204 -13.900 1.00 33.54 H new ATOM 0 HG23 THR A 15 -0.863 -8.965 -15.145 1.00 33.54 H new ATOM 209 N LYS A 16 -3.808 -7.562 -11.197 1.00 74.32 N ATOM 210 CA LYS A 16 -4.287 -6.798 -10.051 1.00 62.12 C ATOM 211 C LYS A 16 -3.444 -7.088 -8.814 1.00 24.04 C ATOM 212 O LYS A 16 -3.750 -7.995 -8.041 1.00 4.24 O ATOM 213 CB LYS A 16 -5.755 -7.127 -9.770 1.00 3.23 C ATOM 214 CG LYS A 16 -6.725 -6.426 -10.705 1.00 20.11 C ATOM 215 CD LYS A 16 -7.862 -5.770 -9.939 1.00 42.14 C ATOM 216 CE LYS A 16 -9.068 -5.526 -10.833 1.00 71.42 C ATOM 217 NZ LYS A 16 -10.302 -5.269 -10.041 1.00 15.10 N ATOM 0 H LYS A 16 -4.149 -8.523 -11.235 1.00 74.32 H new ATOM 0 HA LYS A 16 -4.198 -5.738 -10.289 1.00 62.12 H new ATOM 0 HB2 LYS A 16 -5.899 -8.204 -9.851 1.00 3.23 H new ATOM 0 HB3 LYS A 16 -5.990 -6.851 -8.742 1.00 3.23 H new ATOM 0 HG2 LYS A 16 -6.193 -5.672 -11.284 1.00 20.11 H new ATOM 0 HG3 LYS A 16 -7.131 -7.146 -11.416 1.00 20.11 H new ATOM 0 HD2 LYS A 16 -8.151 -6.404 -9.101 1.00 42.14 H new ATOM 0 HD3 LYS A 16 -7.521 -4.823 -9.520 1.00 42.14 H new ATOM 0 HE2 LYS A 16 -8.871 -4.675 -11.485 1.00 71.42 H new ATOM 0 HE3 LYS A 16 -9.224 -6.391 -11.477 1.00 71.42 H new ATOM 0 HZ1 LYS A 16 -11.101 -5.107 -10.686 1.00 15.10 H new ATOM 0 HZ2 LYS A 16 -10.505 -6.091 -9.438 1.00 15.10 H new ATOM 0 HZ3 LYS A 16 -10.163 -4.428 -9.445 1.00 15.10 H new ATOM 231 N GLY A 17 -2.381 -6.310 -8.632 1.00 24.25 N ATOM 232 CA GLY A 17 -1.511 -6.499 -7.485 1.00 61.02 C ATOM 233 C GLY A 17 -1.421 -5.261 -6.615 1.00 40.25 C ATOM 234 O GLY A 17 -2.086 -4.254 -6.861 1.00 21.11 O ATOM 0 H GLY A 17 -2.107 -5.553 -9.258 1.00 24.25 H new ATOM 0 HA2 GLY A 17 -1.879 -7.333 -6.888 1.00 61.02 H new ATOM 0 HA3 GLY A 17 -0.513 -6.770 -7.830 1.00 61.02 H new ATOM 238 N PRO A 18 -0.583 -5.327 -5.570 1.00 43.44 N ATOM 239 CA PRO A 18 -0.389 -4.211 -4.639 1.00 74.03 C ATOM 240 C PRO A 18 0.347 -3.041 -5.282 1.00 3.32 C ATOM 241 O PRO A 18 1.047 -3.208 -6.280 1.00 53.51 O ATOM 242 CB PRO A 18 0.456 -4.825 -3.520 1.00 75.34 C ATOM 243 CG PRO A 18 1.174 -5.959 -4.167 1.00 40.10 C ATOM 244 CD PRO A 18 0.241 -6.495 -5.218 1.00 3.13 C ATOM 0 HA PRO A 18 -1.337 -3.796 -4.297 1.00 74.03 H new ATOM 0 HB2 PRO A 18 1.155 -4.098 -3.107 1.00 75.34 H new ATOM 0 HB3 PRO A 18 -0.169 -5.170 -2.696 1.00 75.34 H new ATOM 0 HG2 PRO A 18 2.111 -5.625 -4.611 1.00 40.10 H new ATOM 0 HG3 PRO A 18 1.424 -6.729 -3.438 1.00 40.10 H new ATOM 0 HD2 PRO A 18 0.785 -6.878 -6.081 1.00 3.13 H new ATOM 0 HD3 PRO A 18 -0.367 -7.315 -4.835 1.00 3.13 H new ATOM 252 N GLY A 19 0.186 -1.855 -4.702 1.00 34.12 N ATOM 253 CA GLY A 19 0.842 -0.674 -5.232 1.00 20.32 C ATOM 254 C GLY A 19 2.109 -0.326 -4.475 1.00 74.33 C ATOM 255 O GLY A 19 2.156 -0.426 -3.249 1.00 35.21 O ATOM 0 H GLY A 19 -0.387 -1.691 -3.874 1.00 34.12 H new ATOM 0 HA2 GLY A 19 1.083 -0.837 -6.283 1.00 20.32 H new ATOM 0 HA3 GLY A 19 0.154 0.170 -5.190 1.00 20.32 H new ATOM 259 N CYS A 20 3.140 0.082 -5.207 1.00 53.02 N ATOM 260 CA CYS A 20 4.414 0.444 -4.599 1.00 2.11 C ATOM 261 C CYS A 20 4.335 1.822 -3.948 1.00 55.24 C ATOM 262 O CYS A 20 3.717 2.741 -4.488 1.00 20.11 O ATOM 263 CB CYS A 20 5.527 0.427 -5.648 1.00 43.05 C ATOM 264 SG CYS A 20 6.203 -1.230 -5.988 1.00 64.03 S ATOM 0 H CYS A 20 3.118 0.170 -6.223 1.00 53.02 H new ATOM 0 HA CYS A 20 4.640 -0.291 -3.826 1.00 2.11 H new ATOM 0 HB2 CYS A 20 5.143 0.848 -6.577 1.00 43.05 H new ATOM 0 HB3 CYS A 20 6.336 1.076 -5.314 1.00 43.05 H new ATOM 269 N CYS A 21 4.964 1.959 -2.786 1.00 34.20 N ATOM 270 CA CYS A 21 4.965 3.223 -2.061 1.00 12.44 C ATOM 271 C CYS A 21 5.812 4.265 -2.785 1.00 43.31 C ATOM 272 O CYS A 21 5.524 5.460 -2.733 1.00 1.14 O ATOM 273 CB CYS A 21 5.493 3.019 -0.639 1.00 53.51 C ATOM 274 SG CYS A 21 4.200 2.640 0.587 1.00 52.11 S ATOM 0 H CYS A 21 5.480 1.209 -2.326 1.00 34.20 H new ATOM 0 HA CYS A 21 3.938 3.586 -2.012 1.00 12.44 H new ATOM 0 HB2 CYS A 21 6.221 2.208 -0.646 1.00 53.51 H new ATOM 0 HB3 CYS A 21 6.022 3.919 -0.327 1.00 53.51 H new ATOM 279 N ASN A 22 6.859 3.802 -3.461 1.00 52.42 N ATOM 280 CA ASN A 22 7.749 4.694 -4.196 1.00 72.23 C ATOM 281 C ASN A 22 8.592 3.914 -5.200 1.00 61.33 C ATOM 282 O ASN A 22 9.351 3.020 -4.828 1.00 3.34 O ATOM 283 CB ASN A 22 8.659 5.452 -3.228 1.00 65.51 C ATOM 284 CG ASN A 22 9.367 4.527 -2.256 1.00 71.13 C ATOM 285 OD1 ASN A 22 8.729 3.854 -1.447 1.00 21.34 O ATOM 286 ND2 ASN A 22 10.692 4.491 -2.333 1.00 22.44 N ATOM 0 H ASN A 22 7.112 2.815 -3.515 1.00 52.42 H new ATOM 0 HA ASN A 22 7.135 5.410 -4.742 1.00 72.23 H new ATOM 0 HB2 ASN A 22 9.400 6.015 -3.795 1.00 65.51 H new ATOM 0 HB3 ASN A 22 8.067 6.177 -2.670 1.00 65.51 H new ATOM 0 HD21 ASN A 22 11.223 3.888 -1.705 1.00 22.44 H new ATOM 0 HD22 ASN A 22 11.179 5.067 -3.020 1.00 22.44 H new ATOM 293 N GLY A 23 8.453 4.259 -6.477 1.00 2.22 N ATOM 294 CA GLY A 23 9.208 3.582 -7.515 1.00 4.41 C ATOM 295 C GLY A 23 8.328 3.094 -8.648 1.00 35.34 C ATOM 296 O GLY A 23 7.162 2.757 -8.437 1.00 41.03 O ATOM 0 H GLY A 23 7.831 4.995 -6.811 1.00 2.22 H new ATOM 0 HA2 GLY A 23 9.963 4.261 -7.912 1.00 4.41 H new ATOM 0 HA3 GLY A 23 9.738 2.735 -7.080 1.00 4.41 H new ATOM 300 N LYS A 24 8.884 3.056 -9.854 1.00 30.25 N ATOM 301 CA LYS A 24 8.142 2.605 -11.025 1.00 41.42 C ATOM 302 C LYS A 24 8.180 1.085 -11.142 1.00 44.11 C ATOM 303 O LYS A 24 9.235 0.467 -10.992 1.00 32.01 O ATOM 304 CB LYS A 24 8.717 3.240 -12.294 1.00 25.35 C ATOM 305 CG LYS A 24 8.709 4.758 -12.272 1.00 0.42 C ATOM 306 CD LYS A 24 8.623 5.336 -13.675 1.00 31.33 C ATOM 307 CE LYS A 24 9.889 6.093 -14.044 1.00 51.33 C ATOM 308 NZ LYS A 24 10.223 5.945 -15.488 1.00 32.41 N ATOM 0 H LYS A 24 9.847 3.332 -10.046 1.00 30.25 H new ATOM 0 HA LYS A 24 7.104 2.916 -10.908 1.00 41.42 H new ATOM 0 HB2 LYS A 24 9.741 2.892 -12.432 1.00 25.35 H new ATOM 0 HB3 LYS A 24 8.144 2.895 -13.155 1.00 25.35 H new ATOM 0 HG2 LYS A 24 7.864 5.110 -11.680 1.00 0.42 H new ATOM 0 HG3 LYS A 24 9.613 5.120 -11.783 1.00 0.42 H new ATOM 0 HD2 LYS A 24 8.457 4.532 -14.392 1.00 31.33 H new ATOM 0 HD3 LYS A 24 7.765 6.005 -13.742 1.00 31.33 H new ATOM 0 HE2 LYS A 24 9.763 7.149 -13.807 1.00 51.33 H new ATOM 0 HE3 LYS A 24 10.720 5.728 -13.440 1.00 51.33 H new ATOM 0 HZ1 LYS A 24 11.092 6.476 -15.699 1.00 32.41 H new ATOM 0 HZ2 LYS A 24 10.369 4.939 -15.709 1.00 32.41 H new ATOM 0 HZ3 LYS A 24 9.442 6.317 -16.065 1.00 32.41 H new ATOM 322 N CYS A 25 7.025 0.488 -11.412 1.00 74.32 N ATOM 323 CA CYS A 25 6.926 -0.960 -11.551 1.00 35.24 C ATOM 324 C CYS A 25 7.422 -1.411 -12.922 1.00 14.24 C ATOM 325 O CYS A 25 7.204 -0.732 -13.925 1.00 42.35 O ATOM 326 CB CYS A 25 5.480 -1.416 -11.344 1.00 55.53 C ATOM 327 SG CYS A 25 4.981 -1.539 -9.596 1.00 62.45 S ATOM 0 H CYS A 25 6.143 0.985 -11.539 1.00 74.32 H new ATOM 0 HA CYS A 25 7.557 -1.417 -10.788 1.00 35.24 H new ATOM 0 HB2 CYS A 25 4.814 -0.719 -11.852 1.00 55.53 H new ATOM 0 HB3 CYS A 25 5.346 -2.388 -11.818 1.00 55.53 H new ATOM 332 N ILE A 26 8.088 -2.560 -12.955 1.00 42.30 N ATOM 333 CA ILE A 26 8.614 -3.101 -14.202 1.00 75.51 C ATOM 334 C ILE A 26 8.054 -4.493 -14.476 1.00 32.32 C ATOM 335 O ILE A 26 8.510 -5.482 -13.900 1.00 55.03 O ATOM 336 CB ILE A 26 10.152 -3.174 -14.181 1.00 32.15 C ATOM 337 CG1 ILE A 26 10.666 -3.925 -15.411 1.00 11.14 C ATOM 338 CG2 ILE A 26 10.632 -3.847 -12.903 1.00 44.24 C ATOM 339 CD1 ILE A 26 11.859 -3.265 -16.066 1.00 72.23 C ATOM 0 H ILE A 26 8.276 -3.134 -12.133 1.00 42.30 H new ATOM 0 HA ILE A 26 8.302 -2.423 -14.996 1.00 75.51 H new ATOM 0 HB ILE A 26 10.550 -2.160 -14.206 1.00 32.15 H new ATOM 0 HG12 ILE A 26 10.937 -4.940 -15.120 1.00 11.14 H new ATOM 0 HG13 ILE A 26 9.860 -4.006 -16.140 1.00 11.14 H new ATOM 0 HG21 ILE A 26 11.721 -3.892 -12.902 1.00 44.24 H new ATOM 0 HG22 ILE A 26 10.292 -3.274 -12.040 1.00 44.24 H new ATOM 0 HG23 ILE A 26 10.228 -4.858 -12.850 1.00 44.24 H new ATOM 0 HD11 ILE A 26 12.170 -3.851 -16.931 1.00 72.23 H new ATOM 0 HD12 ILE A 26 11.587 -2.260 -16.388 1.00 72.23 H new ATOM 0 HD13 ILE A 26 12.681 -3.208 -15.352 1.00 72.23 H new ATOM 351 N CYS A 27 7.064 -4.564 -15.360 1.00 0.44 N ATOM 352 CA CYS A 27 6.442 -5.834 -15.712 1.00 72.11 C ATOM 353 C CYS A 27 7.202 -6.516 -16.846 1.00 53.33 C ATOM 354 O CYS A 27 7.531 -5.887 -17.852 1.00 70.14 O ATOM 355 CB CYS A 27 4.983 -5.616 -16.120 1.00 3.15 C ATOM 356 SG CYS A 27 3.900 -5.091 -14.752 1.00 41.54 S ATOM 0 H CYS A 27 6.675 -3.756 -15.846 1.00 0.44 H new ATOM 0 HA CYS A 27 6.474 -6.481 -14.835 1.00 72.11 H new ATOM 0 HB2 CYS A 27 4.946 -4.864 -16.908 1.00 3.15 H new ATOM 0 HB3 CYS A 27 4.593 -6.541 -16.544 1.00 3.15 H new ATOM 361 N ARG A 28 7.476 -7.805 -16.676 1.00 45.22 N ATOM 362 CA ARG A 28 8.198 -8.572 -17.684 1.00 40.24 C ATOM 363 C ARG A 28 7.505 -9.904 -17.953 1.00 20.53 C ATOM 364 O ARG A 28 6.621 -10.320 -17.202 1.00 43.13 O ATOM 365 CB ARG A 28 9.640 -8.816 -17.235 1.00 52.10 C ATOM 366 CG ARG A 28 9.785 -9.964 -16.250 1.00 15.04 C ATOM 367 CD ARG A 28 11.113 -9.901 -15.511 1.00 55.54 C ATOM 368 NE ARG A 28 11.938 -11.078 -15.768 1.00 12.15 N ATOM 369 CZ ARG A 28 12.695 -11.223 -16.849 1.00 24.20 C ATOM 370 NH1 ARG A 28 12.732 -10.270 -17.770 1.00 2.13 N ATOM 371 NH2 ARG A 28 13.419 -12.324 -17.011 1.00 14.12 N ATOM 0 H ARG A 28 7.209 -8.340 -15.850 1.00 45.22 H new ATOM 0 HA ARG A 28 8.206 -7.993 -18.608 1.00 40.24 H new ATOM 0 HB2 ARG A 28 10.255 -9.021 -18.111 1.00 52.10 H new ATOM 0 HB3 ARG A 28 10.028 -7.906 -16.779 1.00 52.10 H new ATOM 0 HG2 ARG A 28 8.966 -9.934 -15.531 1.00 15.04 H new ATOM 0 HG3 ARG A 28 9.708 -10.913 -16.781 1.00 15.04 H new ATOM 0 HD2 ARG A 28 11.655 -9.005 -15.815 1.00 55.54 H new ATOM 0 HD3 ARG A 28 10.928 -9.814 -14.440 1.00 55.54 H new ATOM 0 HE ARG A 28 11.932 -11.830 -15.079 1.00 12.15 H new ATOM 0 HH11 ARG A 28 12.178 -9.422 -17.649 1.00 2.13 H new ATOM 0 HH12 ARG A 28 13.315 -10.385 -18.599 1.00 2.13 H new ATOM 0 HH21 ARG A 28 13.394 -13.059 -16.305 1.00 14.12 H new ATOM 0 HH22 ARG A 28 14.000 -12.434 -17.842 1.00 14.12 H new ATOM 385 N THR A 29 7.912 -10.571 -19.029 1.00 34.12 N ATOM 386 CA THR A 29 7.329 -11.855 -19.398 1.00 24.35 C ATOM 387 C THR A 29 8.372 -12.771 -20.029 1.00 1.24 C ATOM 388 O THR A 29 8.901 -12.480 -21.102 1.00 14.33 O ATOM 389 CB THR A 29 6.156 -11.679 -20.380 1.00 10.23 C ATOM 390 OG1 THR A 29 5.413 -10.501 -20.048 1.00 54.33 O ATOM 391 CG2 THR A 29 5.237 -12.890 -20.348 1.00 34.43 C ATOM 0 H THR A 29 8.643 -10.243 -19.660 1.00 34.12 H new ATOM 0 HA THR A 29 6.958 -12.309 -18.479 1.00 24.35 H new ATOM 0 HB THR A 29 6.564 -11.580 -21.386 1.00 10.23 H new ATOM 0 HG1 THR A 29 4.670 -10.395 -20.678 1.00 54.33 H new ATOM 0 HG21 THR A 29 4.416 -12.742 -21.050 1.00 34.43 H new ATOM 0 HG22 THR A 29 5.799 -13.781 -20.629 1.00 34.43 H new ATOM 0 HG23 THR A 29 4.836 -13.016 -19.342 1.00 34.43 H new ATOM 399 N VAL A 30 8.664 -13.880 -19.356 1.00 50.31 N ATOM 400 CA VAL A 30 9.643 -14.839 -19.852 1.00 72.54 C ATOM 401 C VAL A 30 9.210 -16.270 -19.553 1.00 71.45 C ATOM 402 O VAL A 30 8.837 -16.611 -18.431 1.00 2.25 O ATOM 403 CB VAL A 30 11.032 -14.595 -19.234 1.00 21.23 C ATOM 404 CG1 VAL A 30 11.897 -15.841 -19.354 1.00 50.44 C ATOM 405 CG2 VAL A 30 11.706 -13.402 -19.894 1.00 3.25 C ATOM 0 H VAL A 30 8.236 -14.136 -18.466 1.00 50.31 H new ATOM 0 HA VAL A 30 9.705 -14.699 -20.931 1.00 72.54 H new ATOM 0 HB VAL A 30 10.905 -14.371 -18.175 1.00 21.23 H new ATOM 0 HG11 VAL A 30 12.875 -15.649 -18.912 1.00 50.44 H new ATOM 0 HG12 VAL A 30 11.418 -16.668 -18.830 1.00 50.44 H new ATOM 0 HG13 VAL A 30 12.019 -16.099 -20.406 1.00 50.44 H new ATOM 0 HG21 VAL A 30 12.687 -13.244 -19.445 1.00 3.25 H new ATOM 0 HG22 VAL A 30 11.822 -13.594 -20.961 1.00 3.25 H new ATOM 0 HG23 VAL A 30 11.093 -12.512 -19.750 1.00 3.25 H new ATOM 415 N PRO A 31 9.260 -17.131 -20.581 1.00 51.44 N ATOM 416 CA PRO A 31 8.877 -18.540 -20.453 1.00 44.04 C ATOM 417 C PRO A 31 9.513 -19.205 -19.237 1.00 62.14 C ATOM 418 O PRO A 31 8.875 -20.002 -18.549 1.00 52.42 O ATOM 419 CB PRO A 31 9.406 -19.170 -21.745 1.00 11.53 C ATOM 420 CG PRO A 31 9.442 -18.049 -22.725 1.00 50.34 C ATOM 421 CD PRO A 31 9.694 -16.794 -21.948 1.00 1.25 C ATOM 0 HA PRO A 31 7.803 -18.660 -20.313 1.00 44.04 H new ATOM 0 HB2 PRO A 31 10.397 -19.600 -21.599 1.00 11.53 H new ATOM 0 HB3 PRO A 31 8.756 -19.975 -22.088 1.00 11.53 H new ATOM 0 HG2 PRO A 31 10.227 -18.209 -23.464 1.00 50.34 H new ATOM 0 HG3 PRO A 31 8.500 -17.983 -23.269 1.00 50.34 H new ATOM 0 HD2 PRO A 31 10.747 -16.512 -21.975 1.00 1.25 H new ATOM 0 HD3 PRO A 31 9.128 -15.954 -22.351 1.00 1.25 H new ATOM 429 N ARG A 32 10.774 -18.873 -18.978 1.00 53.25 N ATOM 430 CA ARG A 32 11.496 -19.439 -17.845 1.00 73.05 C ATOM 431 C ARG A 32 10.968 -18.877 -16.529 1.00 1.33 C ATOM 432 O ARG A 32 11.572 -17.982 -15.936 1.00 64.42 O ATOM 433 CB ARG A 32 12.993 -19.151 -17.972 1.00 13.00 C ATOM 434 CG ARG A 32 13.857 -20.007 -17.060 1.00 52.23 C ATOM 435 CD ARG A 32 14.622 -19.156 -16.059 1.00 24.42 C ATOM 436 NE ARG A 32 15.874 -19.788 -15.648 1.00 14.20 N ATOM 437 CZ ARG A 32 15.949 -20.734 -14.718 1.00 52.52 C ATOM 438 NH1 ARG A 32 14.851 -21.155 -14.106 1.00 73.23 N ATOM 439 NH2 ARG A 32 17.124 -21.260 -14.399 1.00 43.20 N ATOM 0 H ARG A 32 11.316 -18.215 -19.538 1.00 53.25 H new ATOM 0 HA ARG A 32 11.339 -20.518 -17.848 1.00 73.05 H new ATOM 0 HB2 ARG A 32 13.299 -19.313 -19.006 1.00 13.00 H new ATOM 0 HB3 ARG A 32 13.173 -18.100 -17.747 1.00 13.00 H new ATOM 0 HG2 ARG A 32 13.229 -20.721 -16.527 1.00 52.23 H new ATOM 0 HG3 ARG A 32 14.560 -20.585 -17.660 1.00 52.23 H new ATOM 0 HD2 ARG A 32 14.835 -18.182 -16.499 1.00 24.42 H new ATOM 0 HD3 ARG A 32 13.999 -18.980 -15.182 1.00 24.42 H new ATOM 0 HE ARG A 32 16.737 -19.486 -16.100 1.00 14.20 H new ATOM 0 HH11 ARG A 32 13.946 -20.753 -14.349 1.00 73.23 H new ATOM 0 HH12 ARG A 32 14.911 -21.881 -13.392 1.00 73.23 H new ATOM 0 HH21 ARG A 32 17.971 -20.938 -14.868 1.00 43.20 H new ATOM 0 HH22 ARG A 32 17.181 -21.986 -13.685 1.00 43.20 H new ATOM 453 N LYS A 33 9.837 -19.406 -16.076 1.00 72.52 N ATOM 454 CA LYS A 33 9.227 -18.959 -14.830 1.00 32.34 C ATOM 455 C LYS A 33 9.068 -17.442 -14.815 1.00 72.31 C ATOM 456 O LYS A 33 9.538 -16.768 -13.900 1.00 45.22 O ATOM 457 CB LYS A 33 10.073 -19.405 -13.635 1.00 61.40 C ATOM 458 CG LYS A 33 9.827 -20.845 -13.219 1.00 33.30 C ATOM 459 CD LYS A 33 10.869 -21.324 -12.222 1.00 15.44 C ATOM 460 CE LYS A 33 10.417 -22.588 -11.507 1.00 12.00 C ATOM 461 NZ LYS A 33 9.611 -22.281 -10.293 1.00 31.11 N ATOM 0 H LYS A 33 9.323 -20.146 -16.554 1.00 72.52 H new ATOM 0 HA LYS A 33 8.238 -19.411 -14.757 1.00 32.34 H new ATOM 0 HB2 LYS A 33 11.128 -19.282 -13.881 1.00 61.40 H new ATOM 0 HB3 LYS A 33 9.865 -18.751 -12.789 1.00 61.40 H new ATOM 0 HG2 LYS A 33 8.834 -20.933 -12.779 1.00 33.30 H new ATOM 0 HG3 LYS A 33 9.843 -21.487 -14.100 1.00 33.30 H new ATOM 0 HD2 LYS A 33 11.809 -21.514 -12.740 1.00 15.44 H new ATOM 0 HD3 LYS A 33 11.061 -20.540 -11.490 1.00 15.44 H new ATOM 0 HE2 LYS A 33 9.827 -23.200 -12.189 1.00 12.00 H new ATOM 0 HE3 LYS A 33 11.290 -23.177 -11.224 1.00 12.00 H new ATOM 0 HZ1 LYS A 33 9.322 -23.169 -9.834 1.00 31.11 H new ATOM 0 HZ2 LYS A 33 10.182 -21.719 -9.630 1.00 31.11 H new ATOM 0 HZ3 LYS A 33 8.765 -21.741 -10.565 1.00 31.11 H new ATOM 475 N GLY A 34 8.400 -16.912 -15.835 1.00 52.11 N ATOM 476 CA GLY A 34 8.190 -15.478 -15.919 1.00 74.51 C ATOM 477 C GLY A 34 6.810 -15.124 -16.438 1.00 63.13 C ATOM 478 O GLY A 34 6.674 -14.329 -17.368 1.00 63.14 O ATOM 0 H GLY A 34 8.001 -17.450 -16.604 1.00 52.11 H new ATOM 0 HA2 GLY A 34 8.329 -15.035 -14.933 1.00 74.51 H new ATOM 0 HA3 GLY A 34 8.944 -15.041 -16.573 1.00 74.51 H new ATOM 482 N VAL A 35 5.783 -15.717 -15.837 1.00 41.54 N ATOM 483 CA VAL A 35 4.407 -15.460 -16.245 1.00 1.40 C ATOM 484 C VAL A 35 3.915 -14.121 -15.706 1.00 31.34 C ATOM 485 O VAL A 35 3.199 -14.069 -14.706 1.00 42.24 O ATOM 486 CB VAL A 35 3.461 -16.575 -15.761 1.00 50.35 C ATOM 487 CG1 VAL A 35 3.622 -16.800 -14.266 1.00 34.32 C ATOM 488 CG2 VAL A 35 2.019 -16.236 -16.106 1.00 54.31 C ATOM 0 H VAL A 35 5.878 -16.378 -15.066 1.00 41.54 H new ATOM 0 HA VAL A 35 4.399 -15.435 -17.335 1.00 1.40 H new ATOM 0 HB VAL A 35 3.725 -17.500 -16.273 1.00 50.35 H new ATOM 0 HG11 VAL A 35 2.946 -17.591 -13.942 1.00 34.32 H new ATOM 0 HG12 VAL A 35 4.650 -17.091 -14.050 1.00 34.32 H new ATOM 0 HG13 VAL A 35 3.386 -15.880 -13.732 1.00 34.32 H new ATOM 0 HG21 VAL A 35 1.364 -17.034 -15.757 1.00 54.31 H new ATOM 0 HG22 VAL A 35 1.740 -15.300 -15.622 1.00 54.31 H new ATOM 0 HG23 VAL A 35 1.918 -16.130 -17.186 1.00 54.31 H new ATOM 498 N ASN A 36 4.304 -13.041 -16.375 1.00 14.21 N ATOM 499 CA ASN A 36 3.902 -11.701 -15.963 1.00 12.24 C ATOM 500 C ASN A 36 4.530 -11.333 -14.622 1.00 35.15 C ATOM 501 O ASN A 36 3.826 -11.099 -13.639 1.00 23.33 O ATOM 502 CB ASN A 36 2.377 -11.610 -15.867 1.00 45.40 C ATOM 503 CG ASN A 36 1.861 -10.216 -16.171 1.00 64.53 C ATOM 504 OD1 ASN A 36 1.996 -9.301 -15.359 1.00 33.53 O ATOM 505 ND2 ASN A 36 1.267 -10.050 -17.347 1.00 11.30 N ATOM 0 H ASN A 36 4.897 -13.067 -17.205 1.00 14.21 H new ATOM 0 HA ASN A 36 4.255 -10.995 -16.715 1.00 12.24 H new ATOM 0 HB2 ASN A 36 1.929 -12.320 -16.562 1.00 45.40 H new ATOM 0 HB3 ASN A 36 2.061 -11.901 -14.865 1.00 45.40 H new ATOM 0 HD21 ASN A 36 0.900 -9.135 -17.608 1.00 11.30 H new ATOM 0 HD22 ASN A 36 1.178 -10.838 -17.989 1.00 11.30 H new ATOM 512 N SER A 37 5.857 -11.283 -14.590 1.00 24.43 N ATOM 513 CA SER A 37 6.581 -10.947 -13.369 1.00 33.31 C ATOM 514 C SER A 37 6.810 -9.442 -13.270 1.00 63.25 C ATOM 515 O SER A 37 7.662 -8.886 -13.964 1.00 41.50 O ATOM 516 CB SER A 37 7.921 -11.683 -13.326 1.00 63.13 C ATOM 517 OG SER A 37 8.412 -11.924 -14.633 1.00 64.44 O ATOM 0 H SER A 37 6.454 -11.471 -15.396 1.00 24.43 H new ATOM 0 HA SER A 37 5.975 -11.261 -12.519 1.00 33.31 H new ATOM 0 HB2 SER A 37 8.646 -11.093 -12.765 1.00 63.13 H new ATOM 0 HB3 SER A 37 7.803 -12.629 -12.798 1.00 63.13 H new ATOM 0 HG SER A 37 9.270 -12.394 -14.579 1.00 64.44 H new ATOM 523 N CYS A 38 6.044 -8.789 -12.404 1.00 1.34 N ATOM 524 CA CYS A 38 6.162 -7.348 -12.213 1.00 34.12 C ATOM 525 C CYS A 38 6.869 -7.029 -10.899 1.00 24.40 C ATOM 526 O CYS A 38 6.347 -7.304 -9.818 1.00 65.13 O ATOM 527 CB CYS A 38 4.778 -6.696 -12.231 1.00 11.43 C ATOM 528 SG CYS A 38 3.852 -6.958 -13.777 1.00 71.44 S ATOM 0 H CYS A 38 5.334 -9.235 -11.823 1.00 1.34 H new ATOM 0 HA CYS A 38 6.758 -6.946 -13.032 1.00 34.12 H new ATOM 0 HB2 CYS A 38 4.193 -7.088 -11.399 1.00 11.43 H new ATOM 0 HB3 CYS A 38 4.891 -5.625 -12.065 1.00 11.43 H new ATOM 533 N ARG A 39 8.060 -6.448 -11.001 1.00 22.13 N ATOM 534 CA ARG A 39 8.840 -6.093 -9.821 1.00 41.33 C ATOM 535 C ARG A 39 8.851 -4.581 -9.612 1.00 62.31 C ATOM 536 O ARG A 39 8.655 -3.812 -10.553 1.00 42.13 O ATOM 537 CB ARG A 39 10.273 -6.610 -9.956 1.00 63.25 C ATOM 538 CG ARG A 39 10.364 -8.120 -10.108 1.00 1.22 C ATOM 539 CD ARG A 39 9.737 -8.837 -8.923 1.00 32.23 C ATOM 540 NE ARG A 39 8.565 -9.617 -9.312 1.00 52.54 N ATOM 541 CZ ARG A 39 8.635 -10.810 -9.891 1.00 62.20 C ATOM 542 NH1 ARG A 39 9.815 -11.359 -10.145 1.00 41.22 N ATOM 543 NH2 ARG A 39 7.524 -11.458 -10.216 1.00 54.21 N ATOM 0 H ARG A 39 8.506 -6.213 -11.888 1.00 22.13 H new ATOM 0 HA ARG A 39 8.373 -6.560 -8.954 1.00 41.33 H new ATOM 0 HB2 ARG A 39 10.741 -6.138 -10.820 1.00 63.25 H new ATOM 0 HB3 ARG A 39 10.844 -6.307 -9.078 1.00 63.25 H new ATOM 0 HG2 ARG A 39 9.863 -8.425 -11.026 1.00 1.22 H new ATOM 0 HG3 ARG A 39 11.409 -8.415 -10.202 1.00 1.22 H new ATOM 0 HD2 ARG A 39 10.475 -9.496 -8.466 1.00 32.23 H new ATOM 0 HD3 ARG A 39 9.451 -8.106 -8.167 1.00 32.23 H new ATOM 0 HE ARG A 39 7.642 -9.224 -9.129 1.00 52.54 H new ATOM 0 HH11 ARG A 39 10.672 -10.865 -9.896 1.00 41.22 H new ATOM 0 HH12 ARG A 39 9.866 -12.275 -10.590 1.00 41.22 H new ATOM 0 HH21 ARG A 39 6.614 -11.040 -10.021 1.00 54.21 H new ATOM 0 HH22 ARG A 39 7.580 -12.374 -10.661 1.00 54.21 H new ATOM 557 N CYS A 40 9.081 -4.163 -8.372 1.00 42.51 N ATOM 558 CA CYS A 40 9.117 -2.744 -8.038 1.00 1.02 C ATOM 559 C CYS A 40 10.465 -2.132 -8.408 1.00 40.21 C ATOM 560 O CYS A 40 11.517 -2.709 -8.134 1.00 14.14 O ATOM 561 CB CYS A 40 8.846 -2.543 -6.545 1.00 62.25 C ATOM 562 SG CYS A 40 8.157 -0.910 -6.128 1.00 53.51 S ATOM 0 H CYS A 40 9.245 -4.787 -7.582 1.00 42.51 H new ATOM 0 HA CYS A 40 8.339 -2.241 -8.613 1.00 1.02 H new ATOM 0 HB2 CYS A 40 8.155 -3.315 -6.205 1.00 62.25 H new ATOM 0 HB3 CYS A 40 9.777 -2.684 -5.996 1.00 62.25 H new ATOM 567 N MET A 41 10.425 -0.959 -9.033 1.00 35.42 N ATOM 568 CA MET A 41 11.643 -0.268 -9.439 1.00 75.24 C ATOM 569 C MET A 41 11.458 1.244 -9.370 1.00 2.41 C ATOM 570 O MET A 41 11.296 1.908 -10.395 1.00 13.25 O ATOM 571 CB MET A 41 12.039 -0.681 -10.858 1.00 41.43 C ATOM 572 CG MET A 41 13.429 -0.214 -11.261 1.00 33.02 C ATOM 573 SD MET A 41 14.408 -1.523 -12.022 1.00 33.14 S ATOM 574 CE MET A 41 15.931 -1.392 -11.089 1.00 44.24 C ATOM 0 H MET A 41 9.563 -0.468 -9.269 1.00 35.42 H new ATOM 0 HA MET A 41 12.439 -0.551 -8.750 1.00 75.24 H new ATOM 0 HB2 MET A 41 11.992 -1.767 -10.938 1.00 41.43 H new ATOM 0 HB3 MET A 41 11.311 -0.278 -11.562 1.00 41.43 H new ATOM 0 HG2 MET A 41 13.340 0.620 -11.958 1.00 33.02 H new ATOM 0 HG3 MET A 41 13.952 0.160 -10.381 1.00 33.02 H new ATOM 0 HE1 MET A 41 16.641 -2.139 -11.444 1.00 44.24 H new ATOM 0 HE2 MET A 41 16.355 -0.397 -11.223 1.00 44.24 H new ATOM 0 HE3 MET A 41 15.726 -1.560 -10.032 1.00 44.24 H new TER 584 MET A 41