USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 265 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 LYS NZ :NH3+ 161:sc= 0.5 (180deg=-0.932) USER MOD Set 1.2: A 26 THR OG1 : rot 180:sc= 0.224 USER MOD Single : A 1 ASN : amide:sc= -1.32! C(o=-1.3!,f=-9.5!) USER MOD Single : A 1 ASN N :NH3+ -175:sc= 0.953 (180deg=0.91) USER MOD Single : A 5 SER OG : rot -170:sc= -0.98 USER MOD Single : A 9 ASN : amide:sc=-0.00449 X(o=-0.0045,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.176 K(o=-0.18,f=-2.2!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc=-0.00444 X(o=-0.0044,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 165:sc= -0.268 (180deg=-0.584) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 12.418 2.405 -16.978 1.00 0.00 N ATOM 2 CA ASN A 1 12.142 0.970 -16.674 1.00 0.00 C ATOM 3 C ASN A 1 11.039 0.854 -15.616 1.00 0.00 C ATOM 4 O ASN A 1 11.153 1.371 -14.523 1.00 0.00 O ATOM 5 CB ASN A 1 13.463 0.404 -16.146 1.00 0.00 C ATOM 6 CG ASN A 1 13.861 1.119 -14.854 1.00 0.00 C ATOM 7 OD1 ASN A 1 13.341 2.174 -14.543 1.00 0.00 O ATOM 8 ND2 ASN A 1 14.770 0.588 -14.082 1.00 0.00 N ATOM 0 H1 ASN A 1 13.106 2.469 -17.756 1.00 0.00 H new ATOM 0 H2 ASN A 1 11.534 2.877 -17.257 1.00 0.00 H new ATOM 0 H3 ASN A 1 12.807 2.870 -16.133 1.00 0.00 H new ATOM 0 HA ASN A 1 11.795 0.425 -17.552 1.00 0.00 H new ATOM 0 HB2 ASN A 1 13.362 -0.666 -15.963 1.00 0.00 H new ATOM 0 HB3 ASN A 1 14.246 0.527 -16.895 1.00 0.00 H new ATOM 0 HD21 ASN A 1 15.044 1.058 -13.219 1.00 0.00 H new ATOM 0 HD22 ASN A 1 15.206 -0.296 -14.342 1.00 0.00 H new ATOM 17 N GLU A 2 9.967 0.179 -15.938 1.00 0.00 N ATOM 18 CA GLU A 2 8.850 0.028 -14.959 1.00 0.00 C ATOM 19 C GLU A 2 9.332 -0.637 -13.661 1.00 0.00 C ATOM 20 O GLU A 2 8.945 -0.227 -12.585 1.00 0.00 O ATOM 21 CB GLU A 2 7.823 -0.858 -15.668 1.00 0.00 C ATOM 22 CG GLU A 2 6.485 -0.784 -14.929 1.00 0.00 C ATOM 23 CD GLU A 2 5.529 -1.833 -15.500 1.00 0.00 C ATOM 24 OE1 GLU A 2 5.130 -1.683 -16.642 1.00 0.00 O ATOM 25 OE2 GLU A 2 5.212 -2.771 -14.786 1.00 0.00 O ATOM 0 H GLU A 2 9.816 -0.275 -16.839 1.00 0.00 H new ATOM 0 HA GLU A 2 8.436 0.993 -14.669 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.698 -0.533 -16.701 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.176 -1.889 -15.699 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.636 -0.956 -13.863 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.054 0.212 -15.034 1.00 0.00 H new ATOM 32 N PRO A 3 10.153 -1.651 -13.795 1.00 0.00 N ATOM 33 CA PRO A 3 10.665 -2.365 -12.602 1.00 0.00 C ATOM 34 C PRO A 3 11.791 -1.562 -11.941 1.00 0.00 C ATOM 35 O PRO A 3 11.886 -0.361 -12.100 1.00 0.00 O ATOM 36 CB PRO A 3 11.195 -3.677 -13.170 1.00 0.00 C ATOM 37 CG PRO A 3 11.537 -3.379 -14.594 1.00 0.00 C ATOM 38 CD PRO A 3 10.677 -2.222 -15.044 1.00 0.00 C ATOM 0 HA PRO A 3 9.907 -2.515 -11.833 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.070 -4.020 -12.618 1.00 0.00 H new ATOM 0 HB3 PRO A 3 10.446 -4.466 -13.102 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.594 -3.129 -14.689 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.359 -4.253 -15.220 1.00 0.00 H new ATOM 0 HD2 PRO A 3 11.258 -1.489 -15.604 1.00 0.00 H new ATOM 0 HD3 PRO A 3 9.871 -2.556 -15.697 1.00 0.00 H new ATOM 46 N VAL A 4 12.647 -2.216 -11.204 1.00 0.00 N ATOM 47 CA VAL A 4 13.768 -1.492 -10.536 1.00 0.00 C ATOM 48 C VAL A 4 14.909 -2.466 -10.222 1.00 0.00 C ATOM 49 O VAL A 4 14.685 -3.627 -9.939 1.00 0.00 O ATOM 50 CB VAL A 4 13.165 -0.932 -9.245 1.00 0.00 C ATOM 51 CG1 VAL A 4 12.133 0.145 -9.588 1.00 0.00 C ATOM 52 CG2 VAL A 4 12.485 -2.061 -8.467 1.00 0.00 C ATOM 0 H VAL A 4 12.619 -3.222 -11.035 1.00 0.00 H new ATOM 0 HA VAL A 4 14.186 -0.704 -11.163 1.00 0.00 H new ATOM 0 HB VAL A 4 13.956 -0.496 -8.635 1.00 0.00 H new ATOM 0 HG11 VAL A 4 11.704 0.544 -8.669 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.617 0.950 -10.141 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.342 -0.290 -10.199 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.056 -1.662 -7.548 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.694 -2.498 -9.077 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.220 -2.828 -8.221 1.00 0.00 H new ATOM 62 N SER A 5 16.129 -2.005 -10.272 1.00 0.00 N ATOM 63 CA SER A 5 17.281 -2.907 -9.978 1.00 0.00 C ATOM 64 C SER A 5 18.179 -2.281 -8.907 1.00 0.00 C ATOM 65 O SER A 5 18.360 -1.081 -8.860 1.00 0.00 O ATOM 66 CB SER A 5 18.035 -3.037 -11.303 1.00 0.00 C ATOM 67 OG SER A 5 18.507 -1.760 -11.709 1.00 0.00 O ATOM 0 H SER A 5 16.379 -1.044 -10.503 1.00 0.00 H new ATOM 0 HA SER A 5 16.960 -3.877 -9.598 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.872 -3.727 -11.191 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.379 -3.453 -12.067 1.00 0.00 H new ATOM 0 HG SER A 5 18.849 -1.814 -12.626 1.00 0.00 H new ATOM 73 N CYS A 6 18.740 -3.086 -8.045 1.00 0.00 N ATOM 74 CA CYS A 6 19.622 -2.534 -6.976 1.00 0.00 C ATOM 75 C CYS A 6 20.804 -1.785 -7.593 1.00 0.00 C ATOM 76 O CYS A 6 21.296 -0.818 -7.043 1.00 0.00 O ATOM 77 CB CYS A 6 20.117 -3.749 -6.191 1.00 0.00 C ATOM 78 SG CYS A 6 20.848 -3.179 -4.636 1.00 0.00 S ATOM 0 H CYS A 6 18.626 -4.100 -8.035 1.00 0.00 H new ATOM 0 HA CYS A 6 19.092 -1.826 -6.339 1.00 0.00 H new ATOM 0 HB2 CYS A 6 19.291 -4.432 -5.992 1.00 0.00 H new ATOM 0 HB3 CYS A 6 20.854 -4.301 -6.775 1.00 0.00 H new ATOM 83 N ILE A 7 21.264 -2.225 -8.731 1.00 0.00 N ATOM 84 CA ILE A 7 22.417 -1.542 -9.387 1.00 0.00 C ATOM 85 C ILE A 7 22.092 -0.066 -9.629 1.00 0.00 C ATOM 86 O ILE A 7 22.972 0.767 -9.715 1.00 0.00 O ATOM 87 CB ILE A 7 22.598 -2.277 -10.717 1.00 0.00 C ATOM 88 CG1 ILE A 7 21.353 -2.077 -11.583 1.00 0.00 C ATOM 89 CG2 ILE A 7 22.796 -3.770 -10.450 1.00 0.00 C ATOM 90 CD1 ILE A 7 21.644 -2.540 -13.012 1.00 0.00 C ATOM 0 H ILE A 7 20.892 -3.029 -9.237 1.00 0.00 H new ATOM 0 HA ILE A 7 23.319 -1.569 -8.776 1.00 0.00 H new ATOM 0 HB ILE A 7 23.470 -1.880 -11.236 1.00 0.00 H new ATOM 0 HG12 ILE A 7 20.516 -2.640 -11.170 1.00 0.00 H new ATOM 0 HG13 ILE A 7 21.062 -1.027 -11.582 1.00 0.00 H new ATOM 0 HG21 ILE A 7 22.925 -4.295 -11.397 1.00 0.00 H new ATOM 0 HG22 ILE A 7 23.682 -3.915 -9.831 1.00 0.00 H new ATOM 0 HG23 ILE A 7 21.923 -4.166 -9.932 1.00 0.00 H new ATOM 0 HD11 ILE A 7 20.757 -2.397 -13.629 1.00 0.00 H new ATOM 0 HD12 ILE A 7 22.469 -1.957 -13.422 1.00 0.00 H new ATOM 0 HD13 ILE A 7 21.914 -3.596 -13.004 1.00 0.00 H new ATOM 102 N ARG A 8 20.835 0.264 -9.743 1.00 0.00 N ATOM 103 CA ARG A 8 20.456 1.687 -9.985 1.00 0.00 C ATOM 104 C ARG A 8 20.979 2.579 -8.858 1.00 0.00 C ATOM 105 O ARG A 8 21.382 3.704 -9.076 1.00 0.00 O ATOM 106 CB ARG A 8 18.926 1.692 -10.006 1.00 0.00 C ATOM 107 CG ARG A 8 18.428 3.082 -10.410 1.00 0.00 C ATOM 108 CD ARG A 8 16.899 3.081 -10.460 1.00 0.00 C ATOM 109 NE ARG A 8 16.528 4.482 -10.813 1.00 0.00 N ATOM 110 CZ ARG A 8 15.329 4.747 -11.251 1.00 0.00 C ATOM 111 NH1 ARG A 8 14.794 3.999 -12.176 1.00 0.00 N ATOM 112 NH2 ARG A 8 14.666 5.761 -10.765 1.00 0.00 N ATOM 0 H ARG A 8 20.054 -0.389 -9.679 1.00 0.00 H new ATOM 0 HA ARG A 8 20.879 2.072 -10.913 1.00 0.00 H new ATOM 0 HB2 ARG A 8 18.558 0.944 -10.708 1.00 0.00 H new ATOM 0 HB3 ARG A 8 18.537 1.426 -9.023 1.00 0.00 H new ATOM 0 HG2 ARG A 8 18.779 3.827 -9.696 1.00 0.00 H new ATOM 0 HG3 ARG A 8 18.834 3.357 -11.383 1.00 0.00 H new ATOM 0 HD2 ARG A 8 16.528 2.375 -11.203 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.472 2.789 -9.501 1.00 0.00 H new ATOM 0 HE ARG A 8 17.212 5.232 -10.712 1.00 0.00 H new ATOM 0 HH11 ARG A 8 15.314 3.208 -12.556 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.856 4.205 -12.519 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.086 6.346 -10.043 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.728 5.968 -11.108 1.00 0.00 H new ATOM 126 N ASN A 9 20.975 2.085 -7.653 1.00 0.00 N ATOM 127 CA ASN A 9 21.468 2.903 -6.507 1.00 0.00 C ATOM 128 C ASN A 9 22.976 3.135 -6.628 1.00 0.00 C ATOM 129 O ASN A 9 23.502 4.123 -6.156 1.00 0.00 O ATOM 130 CB ASN A 9 21.154 2.072 -5.265 1.00 0.00 C ATOM 131 CG ASN A 9 19.649 2.108 -4.997 1.00 0.00 C ATOM 132 OD1 ASN A 9 18.989 1.088 -5.028 1.00 0.00 O ATOM 133 ND2 ASN A 9 19.074 3.250 -4.736 1.00 0.00 N ATOM 0 H ASN A 9 20.651 1.149 -7.410 1.00 0.00 H new ATOM 0 HA ASN A 9 20.999 3.886 -6.472 1.00 0.00 H new ATOM 0 HB2 ASN A 9 21.484 1.043 -5.409 1.00 0.00 H new ATOM 0 HB3 ASN A 9 21.697 2.464 -4.405 1.00 0.00 H new ATOM 0 HD21 ASN A 9 18.070 3.287 -4.558 1.00 0.00 H new ATOM 0 HD22 ASN A 9 19.628 4.106 -4.710 1.00 0.00 H new ATOM 140 N GLY A 10 23.674 2.228 -7.253 1.00 0.00 N ATOM 141 CA GLY A 10 25.147 2.393 -7.399 1.00 0.00 C ATOM 142 C GLY A 10 25.861 1.285 -6.619 1.00 0.00 C ATOM 143 O GLY A 10 27.066 1.295 -6.468 1.00 0.00 O ATOM 0 H GLY A 10 23.288 1.380 -7.669 1.00 0.00 H new ATOM 0 HA2 GLY A 10 25.427 2.350 -8.452 1.00 0.00 H new ATOM 0 HA3 GLY A 10 25.454 3.371 -7.027 1.00 0.00 H new ATOM 147 N GLY A 11 25.123 0.329 -6.119 1.00 0.00 N ATOM 148 CA GLY A 11 25.753 -0.779 -5.346 1.00 0.00 C ATOM 149 C GLY A 11 26.360 -1.801 -6.311 1.00 0.00 C ATOM 150 O GLY A 11 26.286 -1.654 -7.515 1.00 0.00 O ATOM 0 H GLY A 11 24.109 0.269 -6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 11 26.526 -0.382 -4.688 1.00 0.00 H new ATOM 0 HA3 GLY A 11 25.010 -1.261 -4.711 1.00 0.00 H new ATOM 154 N ILE A 12 26.961 -2.837 -5.791 1.00 0.00 N ATOM 155 CA ILE A 12 27.574 -3.868 -6.680 1.00 0.00 C ATOM 156 C ILE A 12 27.003 -5.251 -6.362 1.00 0.00 C ATOM 157 O ILE A 12 26.479 -5.484 -5.291 1.00 0.00 O ATOM 158 CB ILE A 12 29.066 -3.822 -6.357 1.00 0.00 C ATOM 159 CG1 ILE A 12 29.277 -4.172 -4.881 1.00 0.00 C ATOM 160 CG2 ILE A 12 29.598 -2.414 -6.630 1.00 0.00 C ATOM 161 CD1 ILE A 12 30.741 -4.549 -4.647 1.00 0.00 C ATOM 0 H ILE A 12 27.054 -3.015 -4.791 1.00 0.00 H new ATOM 0 HA ILE A 12 27.373 -3.677 -7.734 1.00 0.00 H new ATOM 0 HB ILE A 12 29.599 -4.540 -6.980 1.00 0.00 H new ATOM 0 HG12 ILE A 12 29.005 -3.324 -4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 12 28.628 -5.000 -4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 12 30.663 -2.377 -6.401 1.00 0.00 H new ATOM 0 HG22 ILE A 12 29.444 -2.164 -7.680 1.00 0.00 H new ATOM 0 HG23 ILE A 12 29.067 -1.697 -6.004 1.00 0.00 H new ATOM 0 HD11 ILE A 12 30.889 -4.798 -3.596 1.00 0.00 H new ATOM 0 HD12 ILE A 12 30.998 -5.410 -5.263 1.00 0.00 H new ATOM 0 HD13 ILE A 12 31.381 -3.708 -4.914 1.00 0.00 H new ATOM 173 N CYS A 13 27.101 -6.172 -7.284 1.00 0.00 N ATOM 174 CA CYS A 13 26.562 -7.541 -7.026 1.00 0.00 C ATOM 175 C CYS A 13 27.702 -8.481 -6.624 1.00 0.00 C ATOM 176 O CYS A 13 28.846 -8.270 -6.974 1.00 0.00 O ATOM 177 CB CYS A 13 25.926 -8.019 -8.345 1.00 0.00 C ATOM 178 SG CYS A 13 25.278 -6.617 -9.300 1.00 0.00 S ATOM 0 H CYS A 13 27.529 -6.037 -8.200 1.00 0.00 H new ATOM 0 HA CYS A 13 25.831 -7.533 -6.217 1.00 0.00 H new ATOM 0 HB2 CYS A 13 26.668 -8.555 -8.937 1.00 0.00 H new ATOM 0 HB3 CYS A 13 25.120 -8.721 -8.131 1.00 0.00 H new ATOM 183 N GLN A 14 27.398 -9.521 -5.896 1.00 0.00 N ATOM 184 CA GLN A 14 28.465 -10.477 -5.478 1.00 0.00 C ATOM 185 C GLN A 14 27.847 -11.844 -5.166 1.00 0.00 C ATOM 186 O GLN A 14 26.685 -11.945 -4.831 1.00 0.00 O ATOM 187 CB GLN A 14 29.082 -9.862 -4.221 1.00 0.00 C ATOM 188 CG GLN A 14 30.349 -10.631 -3.843 1.00 0.00 C ATOM 189 CD GLN A 14 31.452 -10.329 -4.859 1.00 0.00 C ATOM 190 OE1 GLN A 14 31.354 -9.386 -5.618 1.00 0.00 O ATOM 191 NE2 GLN A 14 32.506 -11.097 -4.905 1.00 0.00 N ATOM 0 H GLN A 14 26.458 -9.751 -5.573 1.00 0.00 H new ATOM 0 HA GLN A 14 29.212 -10.634 -6.256 1.00 0.00 H new ATOM 0 HB2 GLN A 14 29.320 -8.813 -4.396 1.00 0.00 H new ATOM 0 HB3 GLN A 14 28.366 -9.894 -3.399 1.00 0.00 H new ATOM 0 HG2 GLN A 14 30.674 -10.347 -2.842 1.00 0.00 H new ATOM 0 HG3 GLN A 14 30.144 -11.701 -3.820 1.00 0.00 H new ATOM 0 HE21 GLN A 14 32.588 -11.889 -4.267 1.00 0.00 H new ATOM 0 HE22 GLN A 14 33.248 -10.905 -5.578 1.00 0.00 H new ATOM 200 N TYR A 15 28.610 -12.895 -5.277 1.00 0.00 N ATOM 201 CA TYR A 15 28.052 -14.247 -4.989 1.00 0.00 C ATOM 202 C TYR A 15 27.525 -14.307 -3.555 1.00 0.00 C ATOM 203 O TYR A 15 26.415 -14.734 -3.311 1.00 0.00 O ATOM 204 CB TYR A 15 29.224 -15.210 -5.177 1.00 0.00 C ATOM 205 CG TYR A 15 28.728 -16.635 -5.090 1.00 0.00 C ATOM 206 CD1 TYR A 15 27.832 -17.127 -6.049 1.00 0.00 C ATOM 207 CD2 TYR A 15 29.167 -17.463 -4.051 1.00 0.00 C ATOM 208 CE1 TYR A 15 27.378 -18.449 -5.966 1.00 0.00 C ATOM 209 CE2 TYR A 15 28.712 -18.784 -3.970 1.00 0.00 C ATOM 210 CZ TYR A 15 27.819 -19.278 -4.928 1.00 0.00 C ATOM 211 OH TYR A 15 27.374 -20.581 -4.846 1.00 0.00 O ATOM 0 H TYR A 15 29.592 -12.878 -5.553 1.00 0.00 H new ATOM 0 HA TYR A 15 27.216 -14.497 -5.642 1.00 0.00 H new ATOM 0 HB2 TYR A 15 29.698 -15.038 -6.143 1.00 0.00 H new ATOM 0 HB3 TYR A 15 29.981 -15.031 -4.414 1.00 0.00 H new ATOM 0 HD1 TYR A 15 27.492 -16.488 -6.850 1.00 0.00 H new ATOM 0 HD2 TYR A 15 29.857 -17.083 -3.312 1.00 0.00 H new ATOM 0 HE1 TYR A 15 26.687 -18.829 -6.704 1.00 0.00 H new ATOM 0 HE2 TYR A 15 29.050 -19.423 -3.168 1.00 0.00 H new ATOM 0 HH TYR A 15 27.779 -21.016 -4.067 1.00 0.00 H new ATOM 221 N ARG A 16 28.311 -13.878 -2.609 1.00 0.00 N ATOM 222 CA ARG A 16 27.853 -13.906 -1.188 1.00 0.00 C ATOM 223 C ARG A 16 28.406 -12.701 -0.424 1.00 0.00 C ATOM 224 O ARG A 16 29.461 -12.184 -0.737 1.00 0.00 O ATOM 225 CB ARG A 16 28.418 -15.205 -0.610 1.00 0.00 C ATOM 226 CG ARG A 16 27.809 -16.400 -1.347 1.00 0.00 C ATOM 227 CD ARG A 16 26.300 -16.442 -1.098 1.00 0.00 C ATOM 228 NE ARG A 16 25.825 -17.641 -1.847 1.00 0.00 N ATOM 229 CZ ARG A 16 25.300 -18.648 -1.203 1.00 0.00 C ATOM 230 NH1 ARG A 16 24.588 -18.438 -0.129 1.00 0.00 N ATOM 231 NH2 ARG A 16 25.485 -19.867 -1.635 1.00 0.00 N ATOM 0 H ARG A 16 29.251 -13.509 -2.755 1.00 0.00 H new ATOM 0 HA ARG A 16 26.767 -13.861 -1.110 1.00 0.00 H new ATOM 0 HB2 ARG A 16 29.503 -15.218 -0.709 1.00 0.00 H new ATOM 0 HB3 ARG A 16 28.195 -15.269 0.455 1.00 0.00 H new ATOM 0 HG2 ARG A 16 28.009 -16.322 -2.416 1.00 0.00 H new ATOM 0 HG3 ARG A 16 28.270 -17.326 -1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 16 26.077 -16.526 -0.034 1.00 0.00 H new ATOM 0 HD3 ARG A 16 25.814 -15.534 -1.455 1.00 0.00 H new ATOM 0 HE ARG A 16 25.910 -17.674 -2.863 1.00 0.00 H new ATOM 0 HH11 ARG A 16 24.441 -17.486 0.208 1.00 0.00 H new ATOM 0 HH12 ARG A 16 24.178 -19.226 0.373 1.00 0.00 H new ATOM 0 HH21 ARG A 16 26.039 -20.032 -2.475 1.00 0.00 H new ATOM 0 HH22 ARG A 16 25.075 -20.654 -1.132 1.00 0.00 H new ATOM 245 N CYS A 17 27.702 -12.253 0.580 1.00 0.00 N ATOM 246 CA CYS A 17 28.183 -11.085 1.374 1.00 0.00 C ATOM 247 C CYS A 17 28.399 -11.501 2.832 1.00 0.00 C ATOM 248 O CYS A 17 28.158 -12.633 3.205 1.00 0.00 O ATOM 249 CB CYS A 17 27.067 -10.045 1.275 1.00 0.00 C ATOM 250 SG CYS A 17 26.957 -9.430 -0.424 1.00 0.00 S ATOM 0 H CYS A 17 26.812 -12.646 0.886 1.00 0.00 H new ATOM 0 HA CYS A 17 29.132 -10.696 1.004 1.00 0.00 H new ATOM 0 HB2 CYS A 17 26.117 -10.487 1.574 1.00 0.00 H new ATOM 0 HB3 CYS A 17 27.264 -9.220 1.959 1.00 0.00 H new ATOM 255 N ILE A 18 28.849 -10.599 3.662 1.00 0.00 N ATOM 256 CA ILE A 18 29.074 -10.954 5.094 1.00 0.00 C ATOM 257 C ILE A 18 27.928 -10.428 5.963 1.00 0.00 C ATOM 258 O ILE A 18 27.041 -9.744 5.492 1.00 0.00 O ATOM 259 CB ILE A 18 30.392 -10.276 5.474 1.00 0.00 C ATOM 260 CG1 ILE A 18 30.234 -8.758 5.374 1.00 0.00 C ATOM 261 CG2 ILE A 18 31.500 -10.736 4.524 1.00 0.00 C ATOM 262 CD1 ILE A 18 31.483 -8.079 5.942 1.00 0.00 C ATOM 0 H ILE A 18 29.070 -9.635 3.412 1.00 0.00 H new ATOM 0 HA ILE A 18 29.114 -12.033 5.245 1.00 0.00 H new ATOM 0 HB ILE A 18 30.655 -10.548 6.496 1.00 0.00 H new ATOM 0 HG12 ILE A 18 30.088 -8.464 4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 18 29.350 -8.436 5.924 1.00 0.00 H new ATOM 0 HG21 ILE A 18 32.438 -10.252 4.797 1.00 0.00 H new ATOM 0 HG22 ILE A 18 31.616 -11.817 4.597 1.00 0.00 H new ATOM 0 HG23 ILE A 18 31.237 -10.467 3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 18 31.373 -6.997 5.872 1.00 0.00 H new ATOM 0 HD12 ILE A 18 31.609 -8.364 6.987 1.00 0.00 H new ATOM 0 HD13 ILE A 18 32.358 -8.392 5.373 1.00 0.00 H new ATOM 274 N GLY A 19 27.940 -10.745 7.231 1.00 0.00 N ATOM 275 CA GLY A 19 26.853 -10.266 8.133 1.00 0.00 C ATOM 276 C GLY A 19 26.664 -8.761 7.951 1.00 0.00 C ATOM 277 O GLY A 19 27.360 -8.127 7.182 1.00 0.00 O ATOM 0 H GLY A 19 28.656 -11.315 7.681 1.00 0.00 H new ATOM 0 HA2 GLY A 19 25.923 -10.789 7.909 1.00 0.00 H new ATOM 0 HA3 GLY A 19 27.102 -10.489 9.170 1.00 0.00 H new ATOM 281 N LEU A 20 25.729 -8.183 8.653 1.00 0.00 N ATOM 282 CA LEU A 20 25.504 -6.719 8.513 1.00 0.00 C ATOM 283 C LEU A 20 25.474 -6.350 7.029 1.00 0.00 C ATOM 284 O LEU A 20 26.046 -5.364 6.609 1.00 0.00 O ATOM 285 CB LEU A 20 26.702 -6.064 9.203 1.00 0.00 C ATOM 286 CG LEU A 20 26.711 -6.413 10.698 1.00 0.00 C ATOM 287 CD1 LEU A 20 25.324 -6.169 11.295 1.00 0.00 C ATOM 288 CD2 LEU A 20 27.093 -7.885 10.886 1.00 0.00 C ATOM 0 H LEU A 20 25.115 -8.659 9.314 1.00 0.00 H new ATOM 0 HA LEU A 20 24.560 -6.394 8.952 1.00 0.00 H new ATOM 0 HB2 LEU A 20 27.628 -6.402 8.738 1.00 0.00 H new ATOM 0 HB3 LEU A 20 26.658 -4.982 9.075 1.00 0.00 H new ATOM 0 HG LEU A 20 27.441 -5.782 11.205 1.00 0.00 H new ATOM 0 HD11 LEU A 20 25.336 -6.418 12.356 1.00 0.00 H new ATOM 0 HD12 LEU A 20 25.054 -5.120 11.171 1.00 0.00 H new ATOM 0 HD13 LEU A 20 24.593 -6.795 10.783 1.00 0.00 H new ATOM 0 HD21 LEU A 20 27.098 -8.127 11.949 1.00 0.00 H new ATOM 0 HD22 LEU A 20 26.368 -8.517 10.373 1.00 0.00 H new ATOM 0 HD23 LEU A 20 28.085 -8.059 10.470 1.00 0.00 H new ATOM 300 N ARG A 21 24.822 -7.149 6.229 1.00 0.00 N ATOM 301 CA ARG A 21 24.763 -6.863 4.768 1.00 0.00 C ATOM 302 C ARG A 21 23.716 -5.787 4.471 1.00 0.00 C ATOM 303 O ARG A 21 22.609 -5.826 4.969 1.00 0.00 O ATOM 304 CB ARG A 21 24.360 -8.191 4.126 1.00 0.00 C ATOM 305 CG ARG A 21 24.453 -8.070 2.604 1.00 0.00 C ATOM 306 CD ARG A 21 23.697 -9.228 1.949 1.00 0.00 C ATOM 307 NE ARG A 21 24.202 -10.452 2.630 1.00 0.00 N ATOM 308 CZ ARG A 21 23.579 -11.589 2.472 1.00 0.00 C ATOM 309 NH1 ARG A 21 24.043 -12.476 1.637 1.00 0.00 N ATOM 310 NH2 ARG A 21 22.493 -11.838 3.152 1.00 0.00 N ATOM 0 H ARG A 21 24.326 -7.990 6.526 1.00 0.00 H new ATOM 0 HA ARG A 21 25.712 -6.489 4.385 1.00 0.00 H new ATOM 0 HB2 ARG A 21 25.012 -8.990 4.479 1.00 0.00 H new ATOM 0 HB3 ARG A 21 23.344 -8.456 4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 21 24.033 -7.118 2.279 1.00 0.00 H new ATOM 0 HG3 ARG A 21 25.497 -8.081 2.291 1.00 0.00 H new ATOM 0 HD2 ARG A 21 22.620 -9.120 2.079 1.00 0.00 H new ATOM 0 HD3 ARG A 21 23.886 -9.267 0.876 1.00 0.00 H new ATOM 0 HE ARG A 21 25.033 -10.403 3.219 1.00 0.00 H new ATOM 0 HH11 ARG A 21 24.893 -12.282 1.107 1.00 0.00 H new ATOM 0 HH12 ARG A 21 23.556 -13.364 1.514 1.00 0.00 H new ATOM 0 HH21 ARG A 21 22.131 -11.145 3.807 1.00 0.00 H new ATOM 0 HH22 ARG A 21 22.006 -12.726 3.029 1.00 0.00 H new ATOM 324 N HIS A 22 24.056 -4.832 3.648 1.00 0.00 N ATOM 325 CA HIS A 22 23.079 -3.761 3.304 1.00 0.00 C ATOM 326 C HIS A 22 22.446 -4.069 1.946 1.00 0.00 C ATOM 327 O HIS A 22 22.189 -3.186 1.152 1.00 0.00 O ATOM 328 CB HIS A 22 23.902 -2.474 3.230 1.00 0.00 C ATOM 329 CG HIS A 22 24.741 -2.332 4.470 1.00 0.00 C ATOM 330 ND1 HIS A 22 24.236 -1.807 5.648 1.00 0.00 N ATOM 331 CD2 HIS A 22 26.057 -2.631 4.725 1.00 0.00 C ATOM 332 CE1 HIS A 22 25.234 -1.803 6.550 1.00 0.00 C ATOM 333 NE2 HIS A 22 26.366 -2.294 6.039 1.00 0.00 N ATOM 0 H HIS A 22 24.968 -4.748 3.199 1.00 0.00 H new ATOM 0 HA HIS A 22 22.273 -3.680 4.033 1.00 0.00 H new ATOM 0 HB2 HIS A 22 24.542 -2.491 2.347 1.00 0.00 H new ATOM 0 HB3 HIS A 22 23.240 -1.614 3.128 1.00 0.00 H new ATOM 0 HD2 HIS A 22 26.747 -3.062 4.014 1.00 0.00 H new ATOM 0 HE1 HIS A 22 25.132 -1.446 7.564 1.00 0.00 H new ATOM 0 HE2 HIS A 22 27.264 -2.399 6.511 1.00 0.00 H new ATOM 341 N LYS A 23 22.202 -5.321 1.673 1.00 0.00 N ATOM 342 CA LYS A 23 21.596 -5.698 0.364 1.00 0.00 C ATOM 343 C LYS A 23 20.113 -5.312 0.327 1.00 0.00 C ATOM 344 O LYS A 23 19.287 -5.916 0.983 1.00 0.00 O ATOM 345 CB LYS A 23 21.757 -7.218 0.287 1.00 0.00 C ATOM 346 CG LYS A 23 20.967 -7.761 -0.907 1.00 0.00 C ATOM 347 CD LYS A 23 21.019 -9.289 -0.896 1.00 0.00 C ATOM 348 CE LYS A 23 20.241 -9.835 -2.094 1.00 0.00 C ATOM 349 NZ LYS A 23 19.868 -11.225 -1.710 1.00 0.00 N ATOM 0 H LYS A 23 22.396 -6.101 2.301 1.00 0.00 H new ATOM 0 HA LYS A 23 22.071 -5.188 -0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 23 22.811 -7.477 0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 23 21.403 -7.678 1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 23 19.933 -7.421 -0.858 1.00 0.00 H new ATOM 0 HG3 LYS A 23 21.385 -7.378 -1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 23 22.054 -9.628 -0.936 1.00 0.00 H new ATOM 0 HD3 LYS A 23 20.594 -9.671 0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.357 -9.231 -2.299 1.00 0.00 H new ATOM 0 HE3 LYS A 23 20.850 -9.825 -2.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 19.083 -11.552 -2.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 20.687 -11.853 -1.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.573 -11.242 -0.713 1.00 0.00 H new ATOM 363 N ILE A 24 19.769 -4.314 -0.443 1.00 0.00 N ATOM 364 CA ILE A 24 18.339 -3.896 -0.529 1.00 0.00 C ATOM 365 C ILE A 24 17.578 -4.853 -1.450 1.00 0.00 C ATOM 366 O ILE A 24 16.366 -4.925 -1.427 1.00 0.00 O ATOM 367 CB ILE A 24 18.375 -2.488 -1.126 1.00 0.00 C ATOM 368 CG1 ILE A 24 16.986 -1.853 -1.044 1.00 0.00 C ATOM 369 CG2 ILE A 24 18.807 -2.569 -2.587 1.00 0.00 C ATOM 370 CD1 ILE A 24 16.710 -1.435 0.399 1.00 0.00 C ATOM 0 H ILE A 24 20.415 -3.771 -1.015 1.00 0.00 H new ATOM 0 HA ILE A 24 17.837 -3.912 0.438 1.00 0.00 H new ATOM 0 HB ILE A 24 19.083 -1.878 -0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 24 16.929 -0.987 -1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 24 16.229 -2.561 -1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 24 18.833 -1.567 -3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 24 19.799 -3.016 -2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 24 18.097 -3.182 -3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 24 15.721 -0.982 0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 24 16.750 -2.311 1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 24 17.462 -0.713 0.719 1.00 0.00 H new ATOM 382 N GLY A 25 18.291 -5.588 -2.257 1.00 0.00 N ATOM 383 CA GLY A 25 17.629 -6.548 -3.184 1.00 0.00 C ATOM 384 C GLY A 25 18.681 -7.513 -3.733 1.00 0.00 C ATOM 385 O GLY A 25 19.822 -7.500 -3.316 1.00 0.00 O ATOM 0 H GLY A 25 19.309 -5.565 -2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.848 -7.100 -2.661 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.147 -6.011 -4.001 1.00 0.00 H new ATOM 389 N THR A 26 18.313 -8.348 -4.666 1.00 0.00 N ATOM 390 CA THR A 26 19.304 -9.308 -5.232 1.00 0.00 C ATOM 391 C THR A 26 19.655 -8.921 -6.669 1.00 0.00 C ATOM 392 O THR A 26 18.872 -9.098 -7.581 1.00 0.00 O ATOM 393 CB THR A 26 18.608 -10.668 -5.197 1.00 0.00 C ATOM 394 OG1 THR A 26 18.265 -10.988 -3.855 1.00 0.00 O ATOM 395 CG2 THR A 26 19.546 -11.737 -5.759 1.00 0.00 C ATOM 0 H THR A 26 17.374 -8.407 -5.060 1.00 0.00 H new ATOM 0 HA THR A 26 20.237 -9.315 -4.669 1.00 0.00 H new ATOM 0 HB THR A 26 17.703 -10.631 -5.803 1.00 0.00 H new ATOM 0 HG1 THR A 26 17.817 -11.859 -3.831 1.00 0.00 H new ATOM 0 HG21 THR A 26 19.049 -12.707 -5.734 1.00 0.00 H new ATOM 0 HG22 THR A 26 19.805 -11.489 -6.788 1.00 0.00 H new ATOM 0 HG23 THR A 26 20.453 -11.778 -5.156 1.00 0.00 H new ATOM 403 N CYS A 27 20.833 -8.400 -6.876 1.00 0.00 N ATOM 404 CA CYS A 27 21.244 -8.006 -8.253 1.00 0.00 C ATOM 405 C CYS A 27 20.897 -9.124 -9.233 1.00 0.00 C ATOM 406 O CYS A 27 20.082 -8.961 -10.119 1.00 0.00 O ATOM 407 CB CYS A 27 22.756 -7.816 -8.162 1.00 0.00 C ATOM 408 SG CYS A 27 23.377 -7.144 -9.723 1.00 0.00 S ATOM 0 H CYS A 27 21.529 -8.230 -6.150 1.00 0.00 H new ATOM 0 HA CYS A 27 20.741 -7.106 -8.606 1.00 0.00 H new ATOM 0 HB2 CYS A 27 22.999 -7.141 -7.341 1.00 0.00 H new ATOM 0 HB3 CYS A 27 23.240 -8.768 -7.946 1.00 0.00 H new ATOM 413 N GLY A 28 21.505 -10.261 -9.069 1.00 0.00 N ATOM 414 CA GLY A 28 21.215 -11.407 -9.973 1.00 0.00 C ATOM 415 C GLY A 28 20.913 -12.640 -9.123 1.00 0.00 C ATOM 416 O GLY A 28 20.774 -12.553 -7.919 1.00 0.00 O ATOM 0 H GLY A 28 22.196 -10.449 -8.343 1.00 0.00 H new ATOM 0 HA2 GLY A 28 20.366 -11.175 -10.616 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.067 -11.598 -10.626 1.00 0.00 H new ATOM 420 N SER A 29 20.820 -13.790 -9.728 1.00 0.00 N ATOM 421 CA SER A 29 20.539 -15.017 -8.939 1.00 0.00 C ATOM 422 C SER A 29 21.845 -15.598 -8.398 1.00 0.00 C ATOM 423 O SER A 29 21.907 -16.003 -7.254 1.00 0.00 O ATOM 424 CB SER A 29 19.862 -15.985 -9.912 1.00 0.00 C ATOM 425 OG SER A 29 18.488 -15.650 -10.031 1.00 0.00 O ATOM 0 H SER A 29 20.926 -13.932 -10.732 1.00 0.00 H new ATOM 0 HA SER A 29 19.902 -14.819 -8.077 1.00 0.00 H new ATOM 0 HB2 SER A 29 20.346 -15.935 -10.888 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.968 -17.010 -9.556 1.00 0.00 H new ATOM 0 HG SER A 29 18.053 -16.268 -10.655 1.00 0.00 H new ATOM 431 N PRO A 30 22.858 -15.610 -9.225 1.00 0.00 N ATOM 432 CA PRO A 30 24.161 -16.134 -8.787 1.00 0.00 C ATOM 433 C PRO A 30 24.905 -15.054 -7.999 1.00 0.00 C ATOM 434 O PRO A 30 26.048 -15.219 -7.629 1.00 0.00 O ATOM 435 CB PRO A 30 24.882 -16.449 -10.089 1.00 0.00 C ATOM 436 CG PRO A 30 24.264 -15.550 -11.114 1.00 0.00 C ATOM 437 CD PRO A 30 22.891 -15.154 -10.620 1.00 0.00 C ATOM 0 HA PRO A 30 24.085 -17.005 -8.136 1.00 0.00 H new ATOM 0 HB2 PRO A 30 25.953 -16.265 -10.000 1.00 0.00 H new ATOM 0 HB3 PRO A 30 24.760 -17.497 -10.362 1.00 0.00 H new ATOM 0 HG2 PRO A 30 24.883 -14.666 -11.269 1.00 0.00 H new ATOM 0 HG3 PRO A 30 24.191 -16.060 -12.074 1.00 0.00 H new ATOM 0 HD2 PRO A 30 22.739 -14.077 -10.689 1.00 0.00 H new ATOM 0 HD3 PRO A 30 22.105 -15.625 -11.211 1.00 0.00 H new ATOM 445 N PHE A 31 24.264 -13.944 -7.739 1.00 0.00 N ATOM 446 CA PHE A 31 24.942 -12.860 -6.975 1.00 0.00 C ATOM 447 C PHE A 31 23.931 -12.085 -6.133 1.00 0.00 C ATOM 448 O PHE A 31 22.734 -12.235 -6.276 1.00 0.00 O ATOM 449 CB PHE A 31 25.551 -11.931 -8.028 1.00 0.00 C ATOM 450 CG PHE A 31 26.529 -12.695 -8.890 1.00 0.00 C ATOM 451 CD1 PHE A 31 27.796 -13.016 -8.393 1.00 0.00 C ATOM 452 CD2 PHE A 31 26.168 -13.076 -10.186 1.00 0.00 C ATOM 453 CE1 PHE A 31 28.704 -13.721 -9.193 1.00 0.00 C ATOM 454 CE2 PHE A 31 27.076 -13.782 -10.987 1.00 0.00 C ATOM 455 CZ PHE A 31 28.344 -14.104 -10.490 1.00 0.00 C ATOM 0 H PHE A 31 23.305 -13.744 -8.022 1.00 0.00 H new ATOM 0 HA PHE A 31 25.693 -13.264 -6.297 1.00 0.00 H new ATOM 0 HB2 PHE A 31 24.762 -11.505 -8.649 1.00 0.00 H new ATOM 0 HB3 PHE A 31 26.057 -11.098 -7.540 1.00 0.00 H new ATOM 0 HD1 PHE A 31 28.074 -12.720 -7.392 1.00 0.00 H new ATOM 0 HD2 PHE A 31 25.190 -12.826 -10.570 1.00 0.00 H new ATOM 0 HE1 PHE A 31 29.682 -13.969 -8.809 1.00 0.00 H new ATOM 0 HE2 PHE A 31 26.797 -14.077 -11.988 1.00 0.00 H new ATOM 0 HZ PHE A 31 29.044 -14.648 -11.107 1.00 0.00 H new ATOM 465 N LYS A 32 24.414 -11.241 -5.268 1.00 0.00 N ATOM 466 CA LYS A 32 23.504 -10.426 -4.419 1.00 0.00 C ATOM 467 C LYS A 32 23.971 -8.973 -4.430 1.00 0.00 C ATOM 468 O LYS A 32 25.128 -8.688 -4.670 1.00 0.00 O ATOM 469 CB LYS A 32 23.623 -11.009 -3.013 1.00 0.00 C ATOM 470 CG LYS A 32 23.106 -12.448 -3.006 1.00 0.00 C ATOM 471 CD LYS A 32 23.110 -12.985 -1.572 1.00 0.00 C ATOM 472 CE LYS A 32 22.949 -14.507 -1.594 1.00 0.00 C ATOM 473 NZ LYS A 32 22.885 -14.906 -0.160 1.00 0.00 N ATOM 0 H LYS A 32 25.409 -11.079 -5.111 1.00 0.00 H new ATOM 0 HA LYS A 32 22.474 -10.449 -4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 32 24.662 -10.984 -2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 32 23.052 -10.404 -2.309 1.00 0.00 H new ATOM 0 HG2 LYS A 32 22.097 -12.485 -3.417 1.00 0.00 H new ATOM 0 HG3 LYS A 32 23.732 -13.074 -3.642 1.00 0.00 H new ATOM 0 HD2 LYS A 32 24.041 -12.715 -1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.300 -12.532 -1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 32 22.045 -14.801 -2.127 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.787 -14.986 -2.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 22.526 -15.879 -0.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.836 -14.856 0.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 22.248 -14.262 0.351 1.00 0.00 H new ATOM 487 N CYS A 33 23.093 -8.053 -4.166 1.00 0.00 N ATOM 488 CA CYS A 33 23.507 -6.624 -4.161 1.00 0.00 C ATOM 489 C CYS A 33 23.979 -6.224 -2.764 1.00 0.00 C ATOM 490 O CYS A 33 23.263 -6.361 -1.792 1.00 0.00 O ATOM 491 CB CYS A 33 22.258 -5.839 -4.552 1.00 0.00 C ATOM 492 SG CYS A 33 22.648 -4.074 -4.566 1.00 0.00 S ATOM 0 H CYS A 33 22.110 -8.225 -3.954 1.00 0.00 H new ATOM 0 HA CYS A 33 24.332 -6.431 -4.847 1.00 0.00 H new ATOM 0 HB2 CYS A 33 21.908 -6.154 -5.535 1.00 0.00 H new ATOM 0 HB3 CYS A 33 21.451 -6.040 -3.847 1.00 0.00 H new ATOM 497 N CYS A 34 25.180 -5.734 -2.654 1.00 0.00 N ATOM 498 CA CYS A 34 25.696 -5.331 -1.318 1.00 0.00 C ATOM 499 C CYS A 34 26.453 -4.005 -1.425 1.00 0.00 C ATOM 500 O CYS A 34 27.304 -3.832 -2.274 1.00 0.00 O ATOM 501 CB CYS A 34 26.642 -6.459 -0.905 1.00 0.00 C ATOM 502 SG CYS A 34 25.677 -7.870 -0.304 1.00 0.00 S ATOM 0 H CYS A 34 25.827 -5.595 -3.431 1.00 0.00 H new ATOM 0 HA CYS A 34 24.897 -5.183 -0.591 1.00 0.00 H new ATOM 0 HB2 CYS A 34 27.257 -6.761 -1.753 1.00 0.00 H new ATOM 0 HB3 CYS A 34 27.321 -6.111 -0.126 1.00 0.00 H new ATOM 507 N LYS A 35 26.149 -3.068 -0.570 1.00 0.00 N ATOM 508 CA LYS A 35 26.850 -1.753 -0.622 1.00 0.00 C ATOM 509 C LYS A 35 27.845 -1.639 0.536 1.00 0.00 C ATOM 510 O LYS A 35 27.406 -1.395 1.647 1.00 0.00 O ATOM 511 CB LYS A 35 25.741 -0.710 -0.481 1.00 0.00 C ATOM 512 CG LYS A 35 26.315 0.685 -0.741 1.00 0.00 C ATOM 513 CD LYS A 35 25.182 1.715 -0.711 1.00 0.00 C ATOM 514 CE LYS A 35 25.743 3.103 -1.028 1.00 0.00 C ATOM 515 NZ LYS A 35 24.571 4.020 -0.948 1.00 0.00 N ATOM 516 OXT LYS A 35 29.030 -1.799 0.291 1.00 0.00 O ATOM 0 H LYS A 35 25.445 -3.156 0.163 1.00 0.00 H new ATOM 0 HA LYS A 35 27.419 -1.622 -1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 35 24.937 -0.921 -1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 35 25.309 -0.756 0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 35 27.063 0.929 0.013 1.00 0.00 H new ATOM 0 HG3 LYS A 35 26.818 0.709 -1.708 1.00 0.00 H new ATOM 0 HD2 LYS A 35 24.414 1.447 -1.437 1.00 0.00 H new ATOM 0 HD3 LYS A 35 24.706 1.719 0.270 1.00 0.00 H new ATOM 0 HE2 LYS A 35 26.517 3.388 -0.315 1.00 0.00 H new ATOM 0 HE3 LYS A 35 26.197 3.128 -2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.877 4.993 -1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.854 3.728 -1.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 24.164 3.980 0.008 1.00 0.00 H new TER 530 LYS A 35