USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 426 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 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -2.26! C(o=-2.3!,f=-20!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.00343 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0179 F(o=-0.54,f=-0.018) USER MOD Single : A 35 GLN :FLIP amide:sc= 1.04 F(o=-0.56,f=1) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -75:sc= -1.33! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 153:sc= -12.8! (180deg=-17.4!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.301 K(o=-0.3,f=-3.3!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 -12.715 -8.943 6.766 1.00 0.00 N ATOM 33 CA GLU A 3 -13.906 -8.089 7.034 1.00 0.00 C ATOM 34 C GLU A 3 -13.477 -6.624 7.128 1.00 0.00 C ATOM 35 O GLU A 3 -14.202 -5.786 7.626 1.00 0.00 O ATOM 36 CB GLU A 3 -14.555 -8.515 8.353 1.00 0.00 C ATOM 37 CG GLU A 3 -14.419 -10.029 8.524 1.00 0.00 C ATOM 38 CD GLU A 3 -13.200 -10.336 9.396 1.00 0.00 C ATOM 39 OE1 GLU A 3 -12.519 -9.400 9.779 1.00 0.00 O ATOM 40 OE2 GLU A 3 -12.969 -11.503 9.669 1.00 0.00 O ATOM 0 HA GLU A 3 -14.623 -8.205 6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.079 -8.000 9.188 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.607 -8.231 8.361 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.320 -10.436 8.983 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.313 -10.508 7.550 1.00 0.00 H new ATOM 47 N CYS A 4 -12.306 -6.304 6.647 1.00 0.00 N ATOM 48 CA CYS A 4 -11.846 -4.888 6.709 1.00 0.00 C ATOM 49 C CYS A 4 -11.093 -4.539 5.424 1.00 0.00 C ATOM 50 O CYS A 4 -9.992 -4.998 5.193 1.00 0.00 O ATOM 51 CB CYS A 4 -10.916 -4.695 7.909 1.00 0.00 C ATOM 52 SG CYS A 4 -11.887 -4.232 9.367 1.00 0.00 S ATOM 0 H CYS A 4 -11.652 -6.958 6.216 1.00 0.00 H new ATOM 0 HA CYS A 4 -12.712 -4.235 6.816 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -10.364 -5.614 8.105 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -10.180 -3.922 7.690 1.00 0.00 H new ATOM 57 N ASP A 5 -11.675 -3.723 4.590 1.00 0.00 N ATOM 58 CA ASP A 5 -10.993 -3.337 3.324 1.00 0.00 C ATOM 59 C ASP A 5 -10.194 -2.053 3.559 1.00 0.00 C ATOM 60 O ASP A 5 -9.298 -1.720 2.808 1.00 0.00 O ATOM 61 CB ASP A 5 -12.036 -3.097 2.231 1.00 0.00 C ATOM 62 CG ASP A 5 -12.697 -4.425 1.856 1.00 0.00 C ATOM 63 OD1 ASP A 5 -11.973 -5.365 1.574 1.00 0.00 O ATOM 64 OD2 ASP A 5 -13.916 -4.478 1.858 1.00 0.00 O ATOM 0 H ASP A 5 -12.595 -3.306 4.731 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.322 -4.137 3.010 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.788 -2.390 2.580 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.564 -2.653 1.354 1.00 0.00 H new ATOM 69 N CYS A 6 -10.511 -1.331 4.599 1.00 0.00 N ATOM 70 CA CYS A 6 -9.770 -0.073 4.889 1.00 0.00 C ATOM 71 C CYS A 6 -9.274 -0.105 6.339 1.00 0.00 C ATOM 72 O CYS A 6 -9.517 -1.052 7.061 1.00 0.00 O ATOM 73 CB CYS A 6 -10.698 1.131 4.662 1.00 0.00 C ATOM 74 SG CYS A 6 -11.837 1.319 6.061 1.00 0.00 S ATOM 0 H CYS A 6 -11.253 -1.559 5.261 1.00 0.00 H new ATOM 0 HA CYS A 6 -8.912 0.018 4.223 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -10.106 2.038 4.542 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -11.263 0.995 3.740 1.00 0.00 H new ATOM 79 N SER A 7 -8.579 0.910 6.773 1.00 0.00 N ATOM 80 CA SER A 7 -8.074 0.909 8.176 1.00 0.00 C ATOM 81 C SER A 7 -8.541 2.172 8.905 1.00 0.00 C ATOM 82 O SER A 7 -8.229 2.379 10.061 1.00 0.00 O ATOM 83 CB SER A 7 -6.545 0.865 8.167 1.00 0.00 C ATOM 84 OG SER A 7 -6.094 0.011 9.210 1.00 0.00 O ATOM 0 H SER A 7 -8.340 1.735 6.222 1.00 0.00 H new ATOM 0 HA SER A 7 -8.465 0.033 8.693 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.186 0.503 7.204 1.00 0.00 H new ATOM 0 HB3 SER A 7 -6.140 1.868 8.302 1.00 0.00 H new ATOM 0 HG SER A 7 -5.115 -0.021 9.206 1.00 0.00 H new ATOM 90 N SER A 8 -9.286 3.017 8.247 1.00 0.00 N ATOM 91 CA SER A 8 -9.764 4.257 8.919 1.00 0.00 C ATOM 92 C SER A 8 -11.295 4.236 9.001 1.00 0.00 C ATOM 93 O SER A 8 -11.956 3.865 8.052 1.00 0.00 O ATOM 94 CB SER A 8 -9.316 5.480 8.117 1.00 0.00 C ATOM 95 OG SER A 8 -8.280 6.150 8.824 1.00 0.00 O ATOM 0 H SER A 8 -9.583 2.903 7.278 1.00 0.00 H new ATOM 0 HA SER A 8 -9.345 4.308 9.924 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.962 5.174 7.133 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.158 6.153 7.958 1.00 0.00 H new ATOM 0 HG SER A 8 -7.989 6.934 8.313 1.00 0.00 H new ATOM 101 N PRO A 9 -11.814 4.638 10.136 1.00 0.00 N ATOM 102 CA PRO A 9 -13.268 4.677 10.371 1.00 0.00 C ATOM 103 C PRO A 9 -13.881 5.912 9.705 1.00 0.00 C ATOM 104 O PRO A 9 -14.959 5.860 9.147 1.00 0.00 O ATOM 105 CB PRO A 9 -13.384 4.764 11.895 1.00 0.00 C ATOM 106 CG PRO A 9 -12.039 5.337 12.403 1.00 0.00 C ATOM 107 CD PRO A 9 -11.006 5.088 11.288 1.00 0.00 C ATOM 0 HA PRO A 9 -13.794 3.816 9.958 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.215 5.407 12.185 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.576 3.782 12.327 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.128 6.402 12.618 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.735 4.849 13.329 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.448 5.994 11.053 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.277 4.333 11.582 1.00 0.00 H new ATOM 115 N GLU A 10 -13.200 7.024 9.759 1.00 0.00 N ATOM 116 CA GLU A 10 -13.741 8.261 9.130 1.00 0.00 C ATOM 117 C GLU A 10 -13.560 8.184 7.613 1.00 0.00 C ATOM 118 O GLU A 10 -14.292 8.795 6.860 1.00 0.00 O ATOM 119 CB GLU A 10 -12.992 9.482 9.669 1.00 0.00 C ATOM 120 CG GLU A 10 -13.795 10.748 9.365 1.00 0.00 C ATOM 121 CD GLU A 10 -13.025 11.971 9.865 1.00 0.00 C ATOM 122 OE1 GLU A 10 -12.046 11.782 10.567 1.00 0.00 O ATOM 123 OE2 GLU A 10 -13.429 13.075 9.538 1.00 0.00 O ATOM 0 H GLU A 10 -12.292 7.129 10.212 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.801 8.352 9.367 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.841 9.384 10.744 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.004 9.547 9.213 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.973 10.830 8.293 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.771 10.697 9.847 1.00 0.00 H new ATOM 130 N ASN A 11 -12.591 7.437 7.157 1.00 0.00 N ATOM 131 CA ASN A 11 -12.367 7.324 5.688 1.00 0.00 C ATOM 132 C ASN A 11 -13.719 7.136 4.984 1.00 0.00 C ATOM 133 O ASN A 11 -14.472 6.247 5.331 1.00 0.00 O ATOM 134 CB ASN A 11 -11.473 6.117 5.402 1.00 0.00 C ATOM 135 CG ASN A 11 -11.030 6.145 3.937 1.00 0.00 C ATOM 136 OD1 ASN A 11 -11.773 6.570 3.074 1.00 0.00 O ATOM 137 ND2 ASN A 11 -9.843 5.708 3.619 1.00 0.00 N ATOM 0 H ASN A 11 -11.946 6.901 7.738 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.884 8.229 5.320 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.602 6.133 6.057 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.013 5.194 5.612 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.538 5.723 2.646 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.220 5.351 4.343 1.00 0.00 H new ATOM 144 N PRO A 12 -13.992 7.981 4.020 1.00 0.00 N ATOM 145 CA PRO A 12 -15.252 7.928 3.258 1.00 0.00 C ATOM 146 C PRO A 12 -15.202 6.813 2.208 1.00 0.00 C ATOM 147 O PRO A 12 -16.215 6.401 1.681 1.00 0.00 O ATOM 148 CB PRO A 12 -15.324 9.303 2.588 1.00 0.00 C ATOM 149 CG PRO A 12 -13.872 9.837 2.532 1.00 0.00 C ATOM 150 CD PRO A 12 -13.078 9.062 3.598 1.00 0.00 C ATOM 0 HA PRO A 12 -16.119 7.715 3.883 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -15.749 9.226 1.587 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -15.965 9.978 3.155 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.441 9.686 1.542 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.845 10.908 2.731 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.150 8.662 3.190 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.807 9.703 4.436 1.00 0.00 H new ATOM 158 N CYS A 13 -14.031 6.326 1.896 1.00 0.00 N ATOM 159 CA CYS A 13 -13.927 5.245 0.875 1.00 0.00 C ATOM 160 C CYS A 13 -14.435 3.924 1.459 1.00 0.00 C ATOM 161 O CYS A 13 -14.674 2.972 0.741 1.00 0.00 O ATOM 162 CB CYS A 13 -12.465 5.080 0.446 1.00 0.00 C ATOM 163 SG CYS A 13 -12.171 6.020 -1.065 1.00 0.00 S ATOM 0 H CYS A 13 -13.146 6.629 2.302 1.00 0.00 H new ATOM 0 HA CYS A 13 -14.534 5.514 0.011 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -11.801 5.427 1.238 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -12.240 4.026 0.281 1.00 0.00 H new ATOM 168 N CYS A 14 -14.603 3.848 2.752 1.00 0.00 N ATOM 169 CA CYS A 14 -15.090 2.575 3.357 1.00 0.00 C ATOM 170 C CYS A 14 -16.075 2.866 4.487 1.00 0.00 C ATOM 171 O CYS A 14 -16.119 3.952 5.031 1.00 0.00 O ATOM 172 CB CYS A 14 -13.901 1.780 3.902 1.00 0.00 C ATOM 173 SG CYS A 14 -13.247 2.595 5.379 1.00 0.00 S ATOM 0 H CYS A 14 -14.426 4.606 3.411 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.599 1.992 2.590 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.211 0.763 4.143 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -13.123 1.704 3.142 1.00 0.00 H new ATOM 178 N ASP A 15 -16.868 1.892 4.838 1.00 0.00 N ATOM 179 CA ASP A 15 -17.862 2.083 5.927 1.00 0.00 C ATOM 180 C ASP A 15 -17.223 1.719 7.267 1.00 0.00 C ATOM 181 O ASP A 15 -16.626 0.668 7.415 1.00 0.00 O ATOM 182 CB ASP A 15 -19.063 1.171 5.676 1.00 0.00 C ATOM 183 CG ASP A 15 -20.273 1.689 6.455 1.00 0.00 C ATOM 184 OD1 ASP A 15 -20.082 2.153 7.568 1.00 0.00 O ATOM 185 OD2 ASP A 15 -21.370 1.613 5.927 1.00 0.00 O ATOM 0 H ASP A 15 -16.869 0.965 4.413 1.00 0.00 H new ATOM 0 HA ASP A 15 -18.187 3.123 5.949 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -19.291 1.138 4.611 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -18.829 0.152 5.984 1.00 0.00 H new ATOM 190 N ALA A 16 -17.347 2.575 8.245 1.00 0.00 N ATOM 191 CA ALA A 16 -16.750 2.277 9.577 1.00 0.00 C ATOM 192 C ALA A 16 -17.506 1.112 10.219 1.00 0.00 C ATOM 193 O ALA A 16 -16.932 0.288 10.903 1.00 0.00 O ATOM 194 CB ALA A 16 -16.860 3.513 10.473 1.00 0.00 C ATOM 0 H ALA A 16 -17.836 3.468 8.179 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.700 2.010 9.457 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.423 3.296 11.448 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.326 4.344 10.013 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -17.909 3.780 10.597 1.00 0.00 H new ATOM 200 N ALA A 17 -18.791 1.037 10.005 1.00 0.00 N ATOM 201 CA ALA A 17 -19.581 -0.076 10.601 1.00 0.00 C ATOM 202 C ALA A 17 -19.030 -1.413 10.104 1.00 0.00 C ATOM 203 O ALA A 17 -18.590 -2.240 10.878 1.00 0.00 O ATOM 204 CB ALA A 17 -21.046 0.058 10.182 1.00 0.00 C ATOM 0 H ALA A 17 -19.327 1.698 9.443 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.508 -0.033 11.688 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -21.625 -0.756 10.618 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -21.439 1.012 10.534 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -21.119 0.014 9.095 1.00 0.00 H new ATOM 210 N THR A 18 -19.049 -1.632 8.818 1.00 0.00 N ATOM 211 CA THR A 18 -18.525 -2.916 8.276 1.00 0.00 C ATOM 212 C THR A 18 -17.006 -2.823 8.120 1.00 0.00 C ATOM 213 O THR A 18 -16.340 -3.807 7.869 1.00 0.00 O ATOM 214 CB THR A 18 -19.164 -3.196 6.914 1.00 0.00 C ATOM 215 OG1 THR A 18 -18.531 -2.400 5.922 1.00 0.00 O ATOM 216 CG2 THR A 18 -20.654 -2.860 6.969 1.00 0.00 C ATOM 0 H THR A 18 -19.404 -0.978 8.120 1.00 0.00 H new ATOM 0 HA THR A 18 -18.770 -3.726 8.963 1.00 0.00 H new ATOM 0 HB THR A 18 -19.042 -4.250 6.665 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.938 -2.580 5.049 1.00 0.00 H new ATOM 0 HG21 THR A 18 -21.108 -3.060 5.998 1.00 0.00 H new ATOM 0 HG22 THR A 18 -21.138 -3.474 7.729 1.00 0.00 H new ATOM 0 HG23 THR A 18 -20.780 -1.807 7.219 1.00 0.00 H new ATOM 224 N CYS A 19 -16.450 -1.649 8.269 1.00 0.00 N ATOM 225 CA CYS A 19 -14.972 -1.509 8.131 1.00 0.00 C ATOM 226 C CYS A 19 -14.561 -1.921 6.714 1.00 0.00 C ATOM 227 O CYS A 19 -13.460 -2.367 6.479 1.00 0.00 O ATOM 228 CB CYS A 19 -14.294 -2.422 9.162 1.00 0.00 C ATOM 229 SG CYS A 19 -12.492 -2.339 8.998 1.00 0.00 S ATOM 0 H CYS A 19 -16.953 -0.787 8.479 1.00 0.00 H new ATOM 0 HA CYS A 19 -14.669 -0.476 8.304 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -14.587 -2.124 10.169 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -14.630 -3.449 9.023 1.00 0.00 H new ATOM 234 N LYS A 20 -15.441 -1.781 5.763 1.00 0.00 N ATOM 235 CA LYS A 20 -15.083 -2.184 4.372 1.00 0.00 C ATOM 236 C LYS A 20 -15.510 -1.103 3.378 1.00 0.00 C ATOM 237 O LYS A 20 -16.224 -0.180 3.714 1.00 0.00 O ATOM 238 CB LYS A 20 -15.792 -3.497 4.035 1.00 0.00 C ATOM 239 CG LYS A 20 -15.379 -4.575 5.041 1.00 0.00 C ATOM 240 CD LYS A 20 -15.415 -5.945 4.363 1.00 0.00 C ATOM 241 CE LYS A 20 -16.626 -6.735 4.864 1.00 0.00 C ATOM 242 NZ LYS A 20 -17.147 -7.595 3.765 1.00 0.00 N ATOM 0 H LYS A 20 -16.383 -1.409 5.884 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.003 -2.314 4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.873 -3.356 4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.536 -3.812 3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.377 -4.370 5.419 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.051 -4.564 5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.469 -5.825 3.281 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.497 -6.492 4.578 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.344 -7.350 5.719 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.404 -6.052 5.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.970 -8.132 4.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.431 -6.998 2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.404 -8.256 3.460 1.00 0.00 H new ATOM 256 N LEU A 21 -15.072 -1.214 2.150 1.00 0.00 N ATOM 257 CA LEU A 21 -15.445 -0.197 1.128 1.00 0.00 C ATOM 258 C LEU A 21 -16.966 -0.083 1.057 1.00 0.00 C ATOM 259 O LEU A 21 -17.671 -1.064 0.931 1.00 0.00 O ATOM 260 CB LEU A 21 -14.897 -0.610 -0.237 1.00 0.00 C ATOM 261 CG LEU A 21 -13.415 -0.247 -0.313 1.00 0.00 C ATOM 262 CD1 LEU A 21 -12.600 -1.511 -0.569 1.00 0.00 C ATOM 263 CD2 LEU A 21 -13.184 0.749 -1.450 1.00 0.00 C ATOM 0 H LEU A 21 -14.472 -1.967 1.813 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.020 0.767 1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.030 -1.682 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.448 -0.107 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.104 0.206 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.542 -1.257 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.761 -2.219 0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.914 -1.962 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.126 1.005 -1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.494 0.302 -2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.767 1.652 -1.267 1.00 0.00 H new ATOM 275 N ARG A 22 -17.475 1.112 1.150 1.00 0.00 N ATOM 276 CA ARG A 22 -18.953 1.302 1.101 1.00 0.00 C ATOM 277 C ARG A 22 -19.434 1.336 -0.354 1.00 0.00 C ATOM 278 O ARG A 22 -20.355 0.630 -0.713 1.00 0.00 O ATOM 279 CB ARG A 22 -19.327 2.618 1.791 1.00 0.00 C ATOM 280 CG ARG A 22 -20.577 2.412 2.650 1.00 0.00 C ATOM 281 CD ARG A 22 -21.571 3.543 2.377 1.00 0.00 C ATOM 282 NE ARG A 22 -22.356 3.829 3.612 1.00 0.00 N ATOM 283 CZ ARG A 22 -23.503 4.444 3.526 1.00 0.00 C ATOM 284 NH1 ARG A 22 -23.539 5.741 3.379 1.00 0.00 N ATOM 285 NH2 ARG A 22 -24.615 3.763 3.585 1.00 0.00 N ATOM 0 H ARG A 22 -16.931 1.968 1.258 1.00 0.00 H new ATOM 0 HA ARG A 22 -19.432 0.469 1.616 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -18.500 2.962 2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -19.510 3.392 1.045 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -21.033 1.449 2.423 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -20.308 2.396 3.706 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -21.039 4.439 2.057 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -22.242 3.263 1.565 1.00 0.00 H new ATOM 0 HE ARG A 22 -21.996 3.544 4.523 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -22.670 6.273 3.331 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -24.436 6.222 3.312 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -24.587 2.750 3.698 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -25.512 4.244 3.518 1.00 0.00 H new ATOM 299 N PRO A 23 -18.802 2.163 -1.149 1.00 0.00 N ATOM 300 CA PRO A 23 -19.157 2.315 -2.568 1.00 0.00 C ATOM 301 C PRO A 23 -18.543 1.182 -3.395 1.00 0.00 C ATOM 302 O PRO A 23 -18.143 0.162 -2.869 1.00 0.00 O ATOM 303 CB PRO A 23 -18.542 3.663 -2.947 1.00 0.00 C ATOM 304 CG PRO A 23 -17.410 3.932 -1.925 1.00 0.00 C ATOM 305 CD PRO A 23 -17.680 3.018 -0.713 1.00 0.00 C ATOM 0 HA PRO A 23 -20.231 2.276 -2.750 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -18.149 3.638 -3.963 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -19.291 4.454 -2.914 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -16.435 3.717 -2.362 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -17.401 4.980 -1.625 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -16.802 2.424 -0.458 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -17.941 3.597 0.173 1.00 0.00 H new ATOM 313 N GLY A 24 -18.461 1.355 -4.686 1.00 0.00 N ATOM 314 CA GLY A 24 -17.871 0.291 -5.546 1.00 0.00 C ATOM 315 C GLY A 24 -16.364 0.522 -5.671 1.00 0.00 C ATOM 316 O GLY A 24 -15.728 0.065 -6.599 1.00 0.00 O ATOM 0 H GLY A 24 -18.777 2.188 -5.182 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -18.066 -0.691 -5.115 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -18.336 0.304 -6.532 1.00 0.00 H new ATOM 320 N ALA A 25 -15.790 1.231 -4.738 1.00 0.00 N ATOM 321 CA ALA A 25 -14.328 1.501 -4.790 1.00 0.00 C ATOM 322 C ALA A 25 -13.555 0.196 -4.575 1.00 0.00 C ATOM 323 O ALA A 25 -14.029 -0.717 -3.928 1.00 0.00 O ATOM 324 CB ALA A 25 -13.975 2.508 -3.695 1.00 0.00 C ATOM 0 H ALA A 25 -16.275 1.637 -3.938 1.00 0.00 H new ATOM 0 HA ALA A 25 -14.058 1.910 -5.764 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.905 2.715 -3.722 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.528 3.433 -3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.240 2.095 -2.722 1.00 0.00 H new ATOM 330 N GLN A 26 -12.373 0.096 -5.121 1.00 0.00 N ATOM 331 CA GLN A 26 -11.578 -1.153 -4.954 1.00 0.00 C ATOM 332 C GLN A 26 -10.774 -1.091 -3.654 1.00 0.00 C ATOM 333 O GLN A 26 -10.465 -2.103 -3.056 1.00 0.00 O ATOM 334 CB GLN A 26 -10.614 -1.301 -6.134 1.00 0.00 C ATOM 335 CG GLN A 26 -11.128 -2.384 -7.082 1.00 0.00 C ATOM 336 CD GLN A 26 -12.038 -1.750 -8.136 1.00 0.00 C ATOM 337 OE1 GLN A 26 -11.517 -0.991 -9.059 1.00 0.00 O flip ATOM 338 NE2 GLN A 26 -13.237 -1.949 -8.118 1.00 0.00 N flip ATOM 0 H GLN A 26 -11.924 0.825 -5.675 1.00 0.00 H new ATOM 0 HA GLN A 26 -12.256 -2.006 -4.918 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.523 -0.353 -6.664 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.619 -1.561 -5.773 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.290 -2.887 -7.565 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.675 -3.142 -6.522 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.645 -2.543 -7.396 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.835 -1.522 -8.825 1.00 0.00 H new ATOM 347 N CYS A 27 -10.428 0.085 -3.213 1.00 0.00 N ATOM 348 CA CYS A 27 -9.637 0.202 -1.958 1.00 0.00 C ATOM 349 C CYS A 27 -9.860 1.580 -1.337 1.00 0.00 C ATOM 350 O CYS A 27 -10.098 2.552 -2.025 1.00 0.00 O ATOM 351 CB CYS A 27 -8.155 0.019 -2.277 1.00 0.00 C ATOM 352 SG CYS A 27 -7.639 1.293 -3.452 1.00 0.00 S ATOM 0 H CYS A 27 -10.658 0.969 -3.667 1.00 0.00 H new ATOM 0 HA CYS A 27 -9.957 -0.566 -1.253 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -7.563 0.088 -1.364 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.980 -0.972 -2.696 1.00 0.00 H new ATOM 357 N GLY A 28 -9.782 1.669 -0.039 1.00 0.00 N ATOM 358 CA GLY A 28 -9.984 2.983 0.634 1.00 0.00 C ATOM 359 C GLY A 28 -8.654 3.472 1.196 1.00 0.00 C ATOM 360 O GLY A 28 -8.527 4.603 1.625 1.00 0.00 O ATOM 0 H GLY A 28 -9.587 0.887 0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.382 3.710 -0.074 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.716 2.885 1.435 1.00 0.00 H new ATOM 364 N GLU A 29 -7.660 2.632 1.196 1.00 0.00 N ATOM 365 CA GLU A 29 -6.340 3.051 1.725 1.00 0.00 C ATOM 366 C GLU A 29 -5.286 2.023 1.313 1.00 0.00 C ATOM 367 O GLU A 29 -5.593 1.016 0.706 1.00 0.00 O ATOM 368 CB GLU A 29 -6.413 3.152 3.250 1.00 0.00 C ATOM 369 CG GLU A 29 -6.566 1.756 3.864 1.00 0.00 C ATOM 370 CD GLU A 29 -5.964 1.751 5.270 1.00 0.00 C ATOM 371 OE1 GLU A 29 -6.403 2.546 6.084 1.00 0.00 O ATOM 372 OE2 GLU A 29 -5.073 0.951 5.508 1.00 0.00 O ATOM 0 H GLU A 29 -7.707 1.673 0.852 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.067 4.025 1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.512 3.630 3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.255 3.780 3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.619 1.479 3.906 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.066 1.015 3.240 1.00 0.00 H new ATOM 379 N GLY A 30 -4.047 2.268 1.631 1.00 0.00 N ATOM 380 CA GLY A 30 -2.979 1.304 1.249 1.00 0.00 C ATOM 381 C GLY A 30 -1.763 2.080 0.741 1.00 0.00 C ATOM 382 O GLY A 30 -1.847 3.253 0.436 1.00 0.00 O ATOM 0 H GLY A 30 -3.727 3.093 2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.702 0.690 2.106 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.343 0.627 0.476 1.00 0.00 H new ATOM 386 N LEU A 31 -0.634 1.437 0.647 1.00 0.00 N ATOM 387 CA LEU A 31 0.583 2.141 0.158 1.00 0.00 C ATOM 388 C LEU A 31 0.408 2.504 -1.318 1.00 0.00 C ATOM 389 O LEU A 31 1.220 3.198 -1.895 1.00 0.00 O ATOM 390 CB LEU A 31 1.799 1.225 0.311 1.00 0.00 C ATOM 391 CG LEU A 31 2.383 1.376 1.717 1.00 0.00 C ATOM 392 CD1 LEU A 31 2.664 -0.009 2.303 1.00 0.00 C ATOM 393 CD2 LEU A 31 3.688 2.173 1.643 1.00 0.00 C ATOM 0 H LEU A 31 -0.501 0.455 0.887 1.00 0.00 H new ATOM 0 HA LEU A 31 0.732 3.049 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.510 0.189 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.552 1.477 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 31 1.671 1.902 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.080 0.097 3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.735 -0.578 2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.377 -0.535 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.105 2.281 2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.400 1.646 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.489 3.159 1.224 1.00 0.00 H new ATOM 405 N CYS A 32 -0.642 2.035 -1.940 1.00 0.00 N ATOM 406 CA CYS A 32 -0.852 2.352 -3.381 1.00 0.00 C ATOM 407 C CYS A 32 -2.348 2.470 -3.687 1.00 0.00 C ATOM 408 O CYS A 32 -2.817 1.996 -4.702 1.00 0.00 O ATOM 409 CB CYS A 32 -0.248 1.235 -4.233 1.00 0.00 C ATOM 410 SG CYS A 32 1.323 0.707 -3.507 1.00 0.00 S ATOM 0 H CYS A 32 -1.360 1.449 -1.514 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.369 3.301 -3.611 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.937 0.392 -4.289 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.090 1.586 -5.253 1.00 0.00 H new ATOM 415 N CYS A 33 -3.102 3.101 -2.829 1.00 0.00 N ATOM 416 CA CYS A 33 -4.563 3.243 -3.096 1.00 0.00 C ATOM 417 C CYS A 33 -4.921 4.727 -3.192 1.00 0.00 C ATOM 418 O CYS A 33 -4.597 5.511 -2.322 1.00 0.00 O ATOM 419 CB CYS A 33 -5.365 2.599 -1.966 1.00 0.00 C ATOM 420 SG CYS A 33 -7.128 2.851 -2.275 1.00 0.00 S ATOM 0 H CYS A 33 -2.773 3.522 -1.960 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.805 2.745 -4.035 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -5.142 1.534 -1.906 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.085 3.038 -1.008 1.00 0.00 H new ATOM 425 N GLU A 34 -5.584 5.121 -4.246 1.00 0.00 N ATOM 426 CA GLU A 34 -5.957 6.556 -4.396 1.00 0.00 C ATOM 427 C GLU A 34 -7.246 6.679 -5.213 1.00 0.00 C ATOM 428 O GLU A 34 -7.447 5.973 -6.181 1.00 0.00 O ATOM 429 CB GLU A 34 -4.827 7.296 -5.117 1.00 0.00 C ATOM 430 CG GLU A 34 -5.138 8.794 -5.156 1.00 0.00 C ATOM 431 CD GLU A 34 -3.926 9.581 -4.655 1.00 0.00 C ATOM 432 OE1 GLU A 34 -2.870 9.447 -5.250 1.00 0.00 O ATOM 433 OE2 GLU A 34 -4.074 10.302 -3.683 1.00 0.00 O ATOM 0 H GLU A 34 -5.883 4.512 -5.008 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.117 6.992 -3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.881 7.124 -4.604 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.715 6.911 -6.131 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.387 9.098 -6.173 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.008 9.012 -4.536 1.00 0.00 H new ATOM 440 N GLN A 35 -8.113 7.581 -4.835 1.00 0.00 N ATOM 441 CA GLN A 35 -9.388 7.773 -5.590 1.00 0.00 C ATOM 442 C GLN A 35 -10.348 6.604 -5.317 1.00 0.00 C ATOM 443 O GLN A 35 -11.198 6.289 -6.125 1.00 0.00 O ATOM 444 CB GLN A 35 -9.070 7.899 -7.098 1.00 0.00 C ATOM 445 CG GLN A 35 -9.337 6.585 -7.848 1.00 0.00 C ATOM 446 CD GLN A 35 -8.312 6.420 -8.971 1.00 0.00 C ATOM 447 OE1 GLN A 35 -8.645 6.733 -10.194 1.00 0.00 O flip ATOM 448 NE2 GLN A 35 -7.196 6.002 -8.734 1.00 0.00 N flip ATOM 0 H GLN A 35 -7.993 8.197 -4.031 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.880 8.688 -5.259 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.675 8.695 -7.532 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.026 8.186 -7.227 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.276 5.742 -7.159 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.346 6.588 -8.260 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.935 5.757 -7.779 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.520 5.896 -9.490 1.00 0.00 H new ATOM 457 N CYS A 36 -10.226 5.964 -4.186 1.00 0.00 N ATOM 458 CA CYS A 36 -11.141 4.827 -3.881 1.00 0.00 C ATOM 459 C CYS A 36 -10.916 3.710 -4.906 1.00 0.00 C ATOM 460 O CYS A 36 -11.804 2.936 -5.195 1.00 0.00 O ATOM 461 CB CYS A 36 -12.593 5.299 -3.978 1.00 0.00 C ATOM 462 SG CYS A 36 -13.420 5.145 -2.378 1.00 0.00 S ATOM 0 H CYS A 36 -9.537 6.177 -3.464 1.00 0.00 H new ATOM 0 HA CYS A 36 -10.938 4.459 -2.875 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -12.622 6.337 -4.310 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -13.123 4.710 -4.726 1.00 0.00 H new ATOM 467 N LYS A 37 -9.743 3.621 -5.467 1.00 0.00 N ATOM 468 CA LYS A 37 -9.491 2.552 -6.472 1.00 0.00 C ATOM 469 C LYS A 37 -8.033 2.106 -6.396 1.00 0.00 C ATOM 470 O LYS A 37 -7.213 2.730 -5.750 1.00 0.00 O ATOM 471 CB LYS A 37 -9.792 3.084 -7.875 1.00 0.00 C ATOM 472 CG LYS A 37 -11.038 2.389 -8.430 1.00 0.00 C ATOM 473 CD LYS A 37 -10.836 2.087 -9.917 1.00 0.00 C ATOM 474 CE LYS A 37 -11.174 3.330 -10.740 1.00 0.00 C ATOM 475 NZ LYS A 37 -12.579 3.234 -11.230 1.00 0.00 N ATOM 0 H LYS A 37 -8.953 4.237 -5.275 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.139 1.701 -6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.949 4.162 -7.840 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.941 2.907 -8.533 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.226 1.465 -7.883 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.913 3.024 -8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.805 1.785 -10.101 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.471 1.254 -10.219 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.050 4.226 -10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.489 3.419 -11.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.810 4.079 -11.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.682 2.386 -11.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.226 3.169 -10.418 1.00 0.00 H new ATOM 489 N PHE A 38 -7.703 1.030 -7.053 1.00 0.00 N ATOM 490 CA PHE A 38 -6.297 0.537 -7.023 1.00 0.00 C ATOM 491 C PHE A 38 -5.396 1.525 -7.763 1.00 0.00 C ATOM 492 O PHE A 38 -5.597 1.808 -8.927 1.00 0.00 O ATOM 493 CB PHE A 38 -6.223 -0.820 -7.721 1.00 0.00 C ATOM 494 CG PHE A 38 -6.483 -1.927 -6.726 1.00 0.00 C ATOM 495 CD1 PHE A 38 -7.213 -1.669 -5.560 1.00 0.00 C ATOM 496 CD2 PHE A 38 -5.993 -3.214 -6.974 1.00 0.00 C ATOM 497 CE1 PHE A 38 -7.451 -2.699 -4.641 1.00 0.00 C ATOM 498 CE2 PHE A 38 -6.230 -4.243 -6.055 1.00 0.00 C ATOM 499 CZ PHE A 38 -6.960 -3.985 -4.889 1.00 0.00 C ATOM 0 H PHE A 38 -8.347 0.469 -7.611 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.968 0.441 -5.988 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -6.956 -0.864 -8.527 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.241 -0.951 -8.176 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.593 -0.676 -5.369 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.432 -3.414 -7.875 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -8.014 -2.500 -3.741 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.850 -5.236 -6.246 1.00 0.00 H new ATOM 0 HZ PHE A 38 -7.144 -4.779 -4.181 1.00 0.00 H new ATOM 509 N SER A 39 -4.398 2.048 -7.103 1.00 0.00 N ATOM 510 CA SER A 39 -3.487 3.007 -7.784 1.00 0.00 C ATOM 511 C SER A 39 -2.989 2.375 -9.083 1.00 0.00 C ATOM 512 O SER A 39 -3.390 1.287 -9.447 1.00 0.00 O ATOM 513 CB SER A 39 -2.297 3.320 -6.873 1.00 0.00 C ATOM 514 OG SER A 39 -1.544 2.134 -6.659 1.00 0.00 O ATOM 0 H SER A 39 -4.176 1.853 -6.127 1.00 0.00 H new ATOM 0 HA SER A 39 -4.019 3.933 -8.004 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.669 4.086 -7.327 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.648 3.718 -5.921 1.00 0.00 H new ATOM 0 HG SER A 39 -2.020 1.553 -6.030 1.00 0.00 H new ATOM 520 N ARG A 40 -2.120 3.041 -9.790 1.00 0.00 N ATOM 521 CA ARG A 40 -1.610 2.463 -11.064 1.00 0.00 C ATOM 522 C ARG A 40 -0.155 2.026 -10.879 1.00 0.00 C ATOM 523 O ARG A 40 0.583 2.605 -10.106 1.00 0.00 O ATOM 524 CB ARG A 40 -1.695 3.516 -12.169 1.00 0.00 C ATOM 525 CG ARG A 40 -2.012 2.837 -13.503 1.00 0.00 C ATOM 526 CD ARG A 40 -2.406 3.897 -14.533 1.00 0.00 C ATOM 527 NE ARG A 40 -3.890 4.033 -14.563 1.00 0.00 N ATOM 528 CZ ARG A 40 -4.583 3.417 -15.481 1.00 0.00 C ATOM 529 NH1 ARG A 40 -4.129 2.315 -16.011 1.00 0.00 N ATOM 530 NH2 ARG A 40 -5.732 3.902 -15.867 1.00 0.00 N ATOM 0 H ARG A 40 -1.742 3.956 -9.543 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.214 1.599 -11.341 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.467 4.247 -11.929 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.753 4.059 -12.241 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.145 2.278 -13.854 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.823 2.120 -13.375 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.948 4.853 -14.280 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.036 3.617 -15.519 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.364 4.608 -13.866 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.232 1.935 -15.708 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.671 1.833 -16.729 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.088 4.763 -15.451 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.274 3.420 -16.585 1.00 0.00 H new ATOM 544 N ALA A 41 0.267 1.012 -11.584 1.00 0.00 N ATOM 545 CA ALA A 41 1.674 0.545 -11.445 1.00 0.00 C ATOM 546 C ALA A 41 2.608 1.750 -11.517 1.00 0.00 C ATOM 547 O ALA A 41 2.193 2.848 -11.834 1.00 0.00 O ATOM 548 CB ALA A 41 2.003 -0.433 -12.573 1.00 0.00 C ATOM 0 H ALA A 41 -0.301 0.488 -12.249 1.00 0.00 H new ATOM 0 HA ALA A 41 1.802 0.040 -10.488 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.033 -0.774 -12.470 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.330 -1.289 -12.520 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.880 0.066 -13.534 1.00 0.00 H new ATOM 554 N GLY A 42 3.859 1.565 -11.208 1.00 0.00 N ATOM 555 CA GLY A 42 4.798 2.717 -11.245 1.00 0.00 C ATOM 556 C GLY A 42 4.443 3.655 -10.093 1.00 0.00 C ATOM 557 O GLY A 42 4.736 4.834 -10.121 1.00 0.00 O ATOM 0 H GLY A 42 4.270 0.673 -10.933 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.828 2.372 -11.152 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.722 3.239 -12.199 1.00 0.00 H new ATOM 561 N LYS A 43 3.800 3.136 -9.080 1.00 0.00 N ATOM 562 CA LYS A 43 3.412 3.994 -7.925 1.00 0.00 C ATOM 563 C LYS A 43 4.445 3.854 -6.806 1.00 0.00 C ATOM 564 O LYS A 43 4.699 2.773 -6.315 1.00 0.00 O ATOM 565 CB LYS A 43 2.036 3.559 -7.410 1.00 0.00 C ATOM 566 CG LYS A 43 1.773 4.193 -6.042 1.00 0.00 C ATOM 567 CD LYS A 43 1.643 5.709 -6.197 1.00 0.00 C ATOM 568 CE LYS A 43 2.300 6.404 -5.002 1.00 0.00 C ATOM 569 NZ LYS A 43 1.958 7.855 -5.022 1.00 0.00 N ATOM 0 H LYS A 43 3.528 2.156 -9.004 1.00 0.00 H new ATOM 0 HA LYS A 43 3.371 5.035 -8.245 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.261 3.859 -8.116 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.993 2.473 -7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.861 3.782 -5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.587 3.956 -5.357 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.116 6.032 -7.124 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.592 5.990 -6.261 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.958 5.952 -4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.381 6.274 -5.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.404 8.328 -4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.305 8.281 -5.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.926 7.969 -4.965 1.00 0.00 H new ATOM 583 N ILE A 44 5.037 4.941 -6.398 1.00 0.00 N ATOM 584 CA ILE A 44 6.052 4.875 -5.310 1.00 0.00 C ATOM 585 C ILE A 44 5.353 4.565 -3.982 1.00 0.00 C ATOM 586 O ILE A 44 4.490 5.295 -3.536 1.00 0.00 O ATOM 587 CB ILE A 44 6.803 6.220 -5.239 1.00 0.00 C ATOM 588 CG1 ILE A 44 8.115 6.093 -6.012 1.00 0.00 C ATOM 589 CG2 ILE A 44 7.122 6.600 -3.786 1.00 0.00 C ATOM 590 CD1 ILE A 44 9.020 5.087 -5.300 1.00 0.00 C ATOM 0 H ILE A 44 4.862 5.874 -6.771 1.00 0.00 H new ATOM 0 HA ILE A 44 6.773 4.083 -5.512 1.00 0.00 H new ATOM 0 HB ILE A 44 6.169 6.995 -5.671 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.920 5.766 -7.033 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.609 7.063 -6.077 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.652 7.553 -3.767 1.00 0.00 H new ATOM 0 HG22 ILE A 44 6.194 6.689 -3.221 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.747 5.828 -3.337 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.958 4.991 -5.846 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.224 5.434 -4.287 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.524 4.117 -5.258 1.00 0.00 H new ATOM 602 N CYS A 45 5.726 3.489 -3.347 1.00 0.00 N ATOM 603 CA CYS A 45 5.092 3.129 -2.049 1.00 0.00 C ATOM 604 C CYS A 45 6.123 3.248 -0.924 1.00 0.00 C ATOM 605 O CYS A 45 5.781 3.334 0.239 1.00 0.00 O ATOM 606 CB CYS A 45 4.575 1.694 -2.119 1.00 0.00 C ATOM 607 SG CYS A 45 5.837 0.632 -2.862 1.00 0.00 S ATOM 0 H CYS A 45 6.444 2.842 -3.672 1.00 0.00 H new ATOM 0 HA CYS A 45 4.261 3.806 -1.850 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.327 1.337 -1.120 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.659 1.655 -2.708 1.00 0.00 H new ATOM 612 N ARG A 46 7.383 3.256 -1.261 1.00 0.00 N ATOM 613 CA ARG A 46 8.436 3.370 -0.214 1.00 0.00 C ATOM 614 C ARG A 46 9.726 3.884 -0.856 1.00 0.00 C ATOM 615 O ARG A 46 10.086 3.486 -1.947 1.00 0.00 O ATOM 616 CB ARG A 46 8.686 1.994 0.407 1.00 0.00 C ATOM 617 CG ARG A 46 9.650 2.133 1.586 1.00 0.00 C ATOM 618 CD ARG A 46 10.205 0.758 1.955 1.00 0.00 C ATOM 619 NE ARG A 46 9.873 0.455 3.377 1.00 0.00 N ATOM 620 CZ ARG A 46 10.797 0.005 4.180 1.00 0.00 C ATOM 621 NH1 ARG A 46 11.451 -1.082 3.879 1.00 0.00 N ATOM 622 NH2 ARG A 46 11.066 0.643 5.287 1.00 0.00 N ATOM 0 H ARG A 46 7.729 3.188 -2.218 1.00 0.00 H new ATOM 0 HA ARG A 46 8.112 4.063 0.562 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.745 1.559 0.743 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.102 1.317 -0.339 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.465 2.808 1.325 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.135 2.571 2.441 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.782 -0.005 1.301 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.285 0.739 1.810 1.00 0.00 H new ATOM 0 HE ARG A 46 8.924 0.600 3.721 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.240 -1.581 3.015 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.173 -1.433 4.508 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.554 1.493 5.523 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.788 0.292 5.915 1.00 0.00 H new ATOM 636 N ILE A 47 10.422 4.767 -0.196 1.00 0.00 N ATOM 637 CA ILE A 47 11.681 5.303 -0.783 1.00 0.00 C ATOM 638 C ILE A 47 12.844 5.105 0.198 1.00 0.00 C ATOM 639 O ILE A 47 13.049 5.897 1.096 1.00 0.00 O ATOM 640 CB ILE A 47 11.505 6.795 -1.095 1.00 0.00 C ATOM 641 CG1 ILE A 47 12.669 7.272 -1.968 1.00 0.00 C ATOM 642 CG2 ILE A 47 11.481 7.604 0.204 1.00 0.00 C ATOM 643 CD1 ILE A 47 12.197 7.408 -3.417 1.00 0.00 C ATOM 0 H ILE A 47 10.175 5.139 0.721 1.00 0.00 H new ATOM 0 HA ILE A 47 11.906 4.766 -1.705 1.00 0.00 H new ATOM 0 HB ILE A 47 10.563 6.940 -1.623 1.00 0.00 H new ATOM 0 HG12 ILE A 47 13.042 8.230 -1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 47 13.496 6.564 -1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 47 11.356 8.662 -0.028 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.651 7.268 0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.419 7.459 0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 47 13.025 7.748 -4.039 1.00 0.00 H new ATOM 0 HD12 ILE A 47 11.845 6.441 -3.777 1.00 0.00 H new ATOM 0 HD13 ILE A 47 11.384 8.132 -3.468 1.00 0.00 H new ATOM 655 N PRO A 48 13.585 4.051 -0.005 1.00 0.00 N ATOM 656 CA PRO A 48 14.742 3.738 0.843 1.00 0.00 C ATOM 657 C PRO A 48 15.922 4.627 0.434 1.00 0.00 C ATOM 658 O PRO A 48 16.125 4.905 -0.730 1.00 0.00 O ATOM 659 CB PRO A 48 15.017 2.263 0.545 1.00 0.00 C ATOM 660 CG PRO A 48 14.393 1.975 -0.841 1.00 0.00 C ATOM 661 CD PRO A 48 13.342 3.075 -1.086 1.00 0.00 C ATOM 0 HA PRO A 48 14.577 3.913 1.906 1.00 0.00 H new ATOM 0 HB2 PRO A 48 16.088 2.061 0.538 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.577 1.623 1.310 1.00 0.00 H new ATOM 0 HG2 PRO A 48 15.156 1.987 -1.620 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.932 0.987 -0.861 1.00 0.00 H new ATOM 0 HD2 PRO A 48 13.463 3.530 -2.069 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.329 2.675 -1.042 1.00 0.00 H new ATOM 669 N ARG A 49 16.688 5.089 1.381 1.00 0.00 N ATOM 670 CA ARG A 49 17.841 5.975 1.048 1.00 0.00 C ATOM 671 C ARG A 49 19.137 5.165 1.064 1.00 0.00 C ATOM 672 O ARG A 49 19.272 4.203 1.795 1.00 0.00 O ATOM 673 CB ARG A 49 17.938 7.103 2.080 1.00 0.00 C ATOM 674 CG ARG A 49 16.535 7.513 2.537 1.00 0.00 C ATOM 675 CD ARG A 49 15.866 8.349 1.446 1.00 0.00 C ATOM 676 NE ARG A 49 15.588 9.716 1.972 1.00 0.00 N ATOM 677 CZ ARG A 49 15.237 10.670 1.155 1.00 0.00 C ATOM 678 NH1 ARG A 49 14.174 10.534 0.409 1.00 0.00 N ATOM 679 NH2 ARG A 49 15.947 11.762 1.085 1.00 0.00 N ATOM 0 H ARG A 49 16.566 4.892 2.374 1.00 0.00 H new ATOM 0 HA ARG A 49 17.690 6.399 0.055 1.00 0.00 H new ATOM 0 HB2 ARG A 49 18.527 6.775 2.936 1.00 0.00 H new ATOM 0 HB3 ARG A 49 18.454 7.960 1.647 1.00 0.00 H new ATOM 0 HG2 ARG A 49 15.937 6.627 2.749 1.00 0.00 H new ATOM 0 HG3 ARG A 49 16.596 8.085 3.463 1.00 0.00 H new ATOM 0 HD2 ARG A 49 16.512 8.409 0.570 1.00 0.00 H new ATOM 0 HD3 ARG A 49 14.938 7.875 1.126 1.00 0.00 H new ATOM 0 HE ARG A 49 15.672 9.905 2.971 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.617 9.681 0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.900 11.281 -0.230 1.00 0.00 H new ATOM 0 HH21 ARG A 49 16.776 11.869 1.669 1.00 0.00 H new ATOM 0 HH22 ARG A 49 15.673 12.508 0.446 1.00 0.00 H new ATOM 693 N GLY A 50 20.094 5.546 0.262 1.00 0.00 N ATOM 694 CA GLY A 50 21.382 4.798 0.230 1.00 0.00 C ATOM 695 C GLY A 50 21.690 4.379 -1.207 1.00 0.00 C ATOM 696 O GLY A 50 21.390 5.087 -2.149 1.00 0.00 O ATOM 0 H GLY A 50 20.039 6.343 -0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 50 22.187 5.421 0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 50 21.321 3.919 0.872 1.00 0.00 H new ATOM 700 N GLU A 51 22.287 3.233 -1.385 1.00 0.00 N ATOM 701 CA GLU A 51 22.613 2.770 -2.763 1.00 0.00 C ATOM 702 C GLU A 51 21.528 1.805 -3.246 1.00 0.00 C ATOM 703 O GLU A 51 21.714 1.072 -4.197 1.00 0.00 O ATOM 704 CB GLU A 51 23.966 2.056 -2.753 1.00 0.00 C ATOM 705 CG GLU A 51 25.084 3.080 -2.956 1.00 0.00 C ATOM 706 CD GLU A 51 25.695 3.446 -1.601 1.00 0.00 C ATOM 707 OE1 GLU A 51 26.195 2.552 -0.938 1.00 0.00 O ATOM 708 OE2 GLU A 51 25.653 4.614 -1.251 1.00 0.00 O ATOM 0 H GLU A 51 22.563 2.598 -0.636 1.00 0.00 H new ATOM 0 HA GLU A 51 22.660 3.627 -3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 51 24.106 1.532 -1.808 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.999 1.305 -3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 51 25.851 2.671 -3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 51 24.690 3.973 -3.442 1.00 0.00 H new ATOM 715 N MET A 52 20.394 1.797 -2.599 1.00 0.00 N ATOM 716 CA MET A 52 19.301 0.876 -3.026 1.00 0.00 C ATOM 717 C MET A 52 18.348 1.617 -3.973 1.00 0.00 C ATOM 718 O MET A 52 18.323 2.832 -3.993 1.00 0.00 O ATOM 719 CB MET A 52 18.549 0.369 -1.783 1.00 0.00 C ATOM 720 CG MET A 52 17.505 1.393 -1.316 1.00 0.00 C ATOM 721 SD MET A 52 18.317 2.693 -0.355 1.00 0.00 S ATOM 722 CE MET A 52 18.326 3.966 -1.644 1.00 0.00 C ATOM 0 H MET A 52 20.177 2.387 -1.795 1.00 0.00 H new ATOM 0 HA MET A 52 19.720 0.020 -3.555 1.00 0.00 H new ATOM 0 HB2 MET A 52 18.059 -0.577 -2.011 1.00 0.00 H new ATOM 0 HB3 MET A 52 19.258 0.175 -0.978 1.00 0.00 H new ATOM 0 HG2 MET A 52 16.996 1.827 -2.177 1.00 0.00 H new ATOM 0 HG3 MET A 52 16.744 0.901 -0.711 1.00 0.00 H new ATOM 0 HE1 MET A 52 18.326 4.953 -1.181 1.00 0.00 H new ATOM 0 HE2 MET A 52 19.219 3.854 -2.259 1.00 0.00 H new ATOM 0 HE3 MET A 52 17.439 3.858 -2.268 1.00 0.00 H new ATOM 732 N PRO A 53 17.593 0.861 -4.731 1.00 0.00 N ATOM 733 CA PRO A 53 16.629 1.417 -5.696 1.00 0.00 C ATOM 734 C PRO A 53 15.361 1.888 -4.976 1.00 0.00 C ATOM 735 O PRO A 53 15.352 2.083 -3.777 1.00 0.00 O ATOM 736 CB PRO A 53 16.329 0.237 -6.625 1.00 0.00 C ATOM 737 CG PRO A 53 16.680 -1.044 -5.831 1.00 0.00 C ATOM 738 CD PRO A 53 17.633 -0.615 -4.698 1.00 0.00 C ATOM 0 HA PRO A 53 17.010 2.286 -6.232 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.281 0.234 -6.923 1.00 0.00 H new ATOM 0 HB3 PRO A 53 16.920 0.302 -7.539 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.780 -1.507 -5.426 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.155 -1.782 -6.477 1.00 0.00 H new ATOM 0 HD2 PRO A 53 17.304 -1.001 -3.733 1.00 0.00 H new ATOM 0 HD3 PRO A 53 18.643 -0.990 -4.864 1.00 0.00 H new ATOM 746 N ASP A 54 14.292 2.080 -5.701 1.00 0.00 N ATOM 747 CA ASP A 54 13.030 2.546 -5.060 1.00 0.00 C ATOM 748 C ASP A 54 11.962 1.456 -5.171 1.00 0.00 C ATOM 749 O ASP A 54 12.227 0.354 -5.609 1.00 0.00 O ATOM 750 CB ASP A 54 12.541 3.811 -5.767 1.00 0.00 C ATOM 751 CG ASP A 54 13.659 4.853 -5.781 1.00 0.00 C ATOM 752 OD1 ASP A 54 14.244 5.080 -4.733 1.00 0.00 O ATOM 753 OD2 ASP A 54 13.915 5.407 -6.837 1.00 0.00 O ATOM 0 H ASP A 54 14.239 1.934 -6.709 1.00 0.00 H new ATOM 0 HA ASP A 54 13.216 2.762 -4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.236 3.576 -6.787 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.664 4.210 -5.256 1.00 0.00 H new ATOM 758 N ASP A 55 10.754 1.756 -4.775 1.00 0.00 N ATOM 759 CA ASP A 55 9.668 0.739 -4.856 1.00 0.00 C ATOM 760 C ASP A 55 8.498 1.298 -5.669 1.00 0.00 C ATOM 761 O ASP A 55 8.059 2.413 -5.462 1.00 0.00 O ATOM 762 CB ASP A 55 9.187 0.392 -3.446 1.00 0.00 C ATOM 763 CG ASP A 55 8.383 -0.908 -3.486 1.00 0.00 C ATOM 764 OD1 ASP A 55 7.500 -1.010 -4.321 1.00 0.00 O ATOM 765 OD2 ASP A 55 8.664 -1.781 -2.680 1.00 0.00 O ATOM 0 H ASP A 55 10.473 2.662 -4.399 1.00 0.00 H new ATOM 0 HA ASP A 55 10.051 -0.158 -5.342 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.040 0.284 -2.776 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.572 1.200 -3.051 1.00 0.00 H new ATOM 770 N ARG A 56 7.988 0.528 -6.592 1.00 0.00 N ATOM 771 CA ARG A 56 6.844 1.005 -7.421 1.00 0.00 C ATOM 772 C ARG A 56 5.724 -0.034 -7.383 1.00 0.00 C ATOM 773 O ARG A 56 5.925 -1.190 -7.701 1.00 0.00 O ATOM 774 CB ARG A 56 7.310 1.205 -8.864 1.00 0.00 C ATOM 775 CG ARG A 56 8.440 2.238 -8.898 1.00 0.00 C ATOM 776 CD ARG A 56 8.053 3.390 -9.828 1.00 0.00 C ATOM 777 NE ARG A 56 9.062 4.481 -9.713 1.00 0.00 N ATOM 778 CZ ARG A 56 8.910 5.583 -10.396 1.00 0.00 C ATOM 779 NH1 ARG A 56 9.018 5.565 -11.696 1.00 0.00 N ATOM 780 NH2 ARG A 56 8.650 6.703 -9.779 1.00 0.00 N ATOM 0 H ARG A 56 8.315 -0.414 -6.808 1.00 0.00 H new ATOM 0 HA ARG A 56 6.475 1.951 -7.026 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.656 0.259 -9.280 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.478 1.540 -9.483 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.631 2.616 -7.894 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.363 1.772 -9.244 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.998 3.038 -10.858 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.064 3.766 -9.567 1.00 0.00 H new ATOM 0 HE ARG A 56 9.870 4.367 -9.101 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.221 4.690 -12.179 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.899 6.426 -12.230 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.565 6.718 -8.763 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.531 7.564 -10.313 1.00 0.00 H new ATOM 794 N CYS A 57 4.544 0.367 -6.996 1.00 0.00 N ATOM 795 CA CYS A 57 3.415 -0.603 -6.939 1.00 0.00 C ATOM 796 C CYS A 57 3.080 -1.062 -8.354 1.00 0.00 C ATOM 797 O CYS A 57 3.443 -0.423 -9.323 1.00 0.00 O ATOM 798 CB CYS A 57 2.184 0.065 -6.324 1.00 0.00 C ATOM 799 SG CYS A 57 2.686 1.110 -4.938 1.00 0.00 S ATOM 0 H CYS A 57 4.314 1.321 -6.718 1.00 0.00 H new ATOM 0 HA CYS A 57 3.704 -1.457 -6.327 1.00 0.00 H new ATOM 0 HB2 CYS A 57 1.670 0.664 -7.076 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.479 -0.693 -5.983 1.00 0.00 H new ATOM 804 N THR A 58 2.388 -2.164 -8.476 1.00 0.00 N ATOM 805 CA THR A 58 2.022 -2.674 -9.827 1.00 0.00 C ATOM 806 C THR A 58 0.663 -2.109 -10.239 1.00 0.00 C ATOM 807 O THR A 58 0.093 -2.506 -11.235 1.00 0.00 O ATOM 808 CB THR A 58 1.949 -4.203 -9.793 1.00 0.00 C ATOM 809 OG1 THR A 58 0.659 -4.605 -9.350 1.00 0.00 O ATOM 810 CG2 THR A 58 3.011 -4.749 -8.838 1.00 0.00 C ATOM 0 H THR A 58 2.060 -2.733 -7.695 1.00 0.00 H new ATOM 0 HA THR A 58 2.777 -2.361 -10.548 1.00 0.00 H new ATOM 0 HB THR A 58 2.130 -4.596 -10.794 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.610 -5.584 -9.329 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.956 -5.837 -8.816 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.000 -4.442 -9.180 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.836 -4.357 -7.836 1.00 0.00 H new ATOM 818 N GLY A 59 0.138 -1.186 -9.483 1.00 0.00 N ATOM 819 CA GLY A 59 -1.186 -0.603 -9.841 1.00 0.00 C ATOM 820 C GLY A 59 -2.295 -1.576 -9.434 1.00 0.00 C ATOM 821 O GLY A 59 -3.219 -1.220 -8.731 1.00 0.00 O ATOM 0 H GLY A 59 0.566 -0.811 -8.636 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.323 0.354 -9.337 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.233 -0.408 -10.912 1.00 0.00 H new ATOM 825 N GLN A 60 -2.209 -2.801 -9.873 1.00 0.00 N ATOM 826 CA GLN A 60 -3.256 -3.796 -9.512 1.00 0.00 C ATOM 827 C GLN A 60 -3.139 -4.143 -8.026 1.00 0.00 C ATOM 828 O GLN A 60 -3.960 -4.853 -7.480 1.00 0.00 O ATOM 829 CB GLN A 60 -3.066 -5.063 -10.349 1.00 0.00 C ATOM 830 CG GLN A 60 -3.850 -4.935 -11.657 1.00 0.00 C ATOM 831 CD GLN A 60 -5.238 -5.552 -11.484 1.00 0.00 C ATOM 832 OE1 GLN A 60 -5.479 -6.281 -10.541 1.00 0.00 O ATOM 833 NE2 GLN A 60 -6.170 -5.291 -12.360 1.00 0.00 N ATOM 0 H GLN A 60 -1.459 -3.156 -10.466 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.242 -3.375 -9.710 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.008 -5.216 -10.561 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.409 -5.935 -9.791 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.940 -3.886 -11.938 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.316 -5.437 -12.464 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.969 -4.680 -13.151 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -7.099 -5.698 -12.253 1.00 0.00 H new ATOM 842 N SER A 61 -2.124 -3.652 -7.366 1.00 0.00 N ATOM 843 CA SER A 61 -1.965 -3.965 -5.915 1.00 0.00 C ATOM 844 C SER A 61 -2.082 -2.677 -5.091 1.00 0.00 C ATOM 845 O SER A 61 -1.361 -1.724 -5.308 1.00 0.00 O ATOM 846 CB SER A 61 -0.594 -4.597 -5.678 1.00 0.00 C ATOM 847 OG SER A 61 -0.717 -6.013 -5.719 1.00 0.00 O ATOM 0 H SER A 61 -1.402 -3.052 -7.765 1.00 0.00 H new ATOM 0 HA SER A 61 -2.746 -4.661 -5.609 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.111 -4.259 -6.437 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.198 -4.282 -4.713 1.00 0.00 H new ATOM 0 HG SER A 61 0.161 -6.422 -5.569 1.00 0.00 H new ATOM 853 N ALA A 62 -2.980 -2.645 -4.140 1.00 0.00 N ATOM 854 CA ALA A 62 -3.132 -1.420 -3.302 1.00 0.00 C ATOM 855 C ALA A 62 -1.997 -1.372 -2.277 1.00 0.00 C ATOM 856 O ALA A 62 -1.537 -0.316 -1.893 1.00 0.00 O ATOM 857 CB ALA A 62 -4.476 -1.454 -2.566 1.00 0.00 C ATOM 0 H ALA A 62 -3.612 -3.412 -3.909 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.096 -0.538 -3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.580 -0.556 -1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.288 -1.495 -3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.518 -2.335 -1.925 1.00 0.00 H new ATOM 863 N ASP A 63 -1.542 -2.513 -1.833 1.00 0.00 N ATOM 864 CA ASP A 63 -0.437 -2.538 -0.835 1.00 0.00 C ATOM 865 C ASP A 63 0.908 -2.493 -1.562 1.00 0.00 C ATOM 866 O ASP A 63 0.969 -2.516 -2.775 1.00 0.00 O ATOM 867 CB ASP A 63 -0.526 -3.823 -0.011 1.00 0.00 C ATOM 868 CG ASP A 63 -1.577 -3.653 1.087 1.00 0.00 C ATOM 869 OD1 ASP A 63 -2.367 -2.729 0.986 1.00 0.00 O ATOM 870 OD2 ASP A 63 -1.573 -4.450 2.011 1.00 0.00 O ATOM 0 H ASP A 63 -1.889 -3.429 -2.119 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.523 -1.674 -0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.789 -4.663 -0.654 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.444 -4.052 0.431 1.00 0.00 H new ATOM 875 N CYS A 64 1.988 -2.430 -0.830 1.00 0.00 N ATOM 876 CA CYS A 64 3.324 -2.386 -1.484 1.00 0.00 C ATOM 877 C CYS A 64 4.175 -3.555 -0.995 1.00 0.00 C ATOM 878 O CYS A 64 4.453 -3.672 0.182 1.00 0.00 O ATOM 879 CB CYS A 64 4.015 -1.065 -1.152 1.00 0.00 C ATOM 880 SG CYS A 64 5.702 -1.085 -1.809 1.00 0.00 S ATOM 0 H CYS A 64 2.001 -2.407 0.190 1.00 0.00 H new ATOM 0 HA CYS A 64 3.200 -2.463 -2.564 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.456 -0.232 -1.580 1.00 0.00 H new ATOM 0 HB3 CYS A 64 4.035 -0.914 -0.073 1.00 0.00 H new ATOM 885 N PRO A 65 4.556 -4.391 -1.925 1.00 0.00 N ATOM 886 CA PRO A 65 5.370 -5.575 -1.639 1.00 0.00 C ATOM 887 C PRO A 65 6.849 -5.196 -1.520 1.00 0.00 C ATOM 888 O PRO A 65 7.225 -4.055 -1.701 1.00 0.00 O ATOM 889 CB PRO A 65 5.132 -6.462 -2.860 1.00 0.00 C ATOM 890 CG PRO A 65 4.666 -5.540 -4.007 1.00 0.00 C ATOM 891 CD PRO A 65 4.207 -4.232 -3.354 1.00 0.00 C ATOM 0 HA PRO A 65 5.109 -6.062 -0.699 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.045 -6.990 -3.137 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.379 -7.220 -2.645 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.477 -5.358 -4.712 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.853 -6.000 -4.568 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.711 -3.371 -3.793 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.136 -4.076 -3.486 1.00 0.00 H new ATOM 899 N ARG A 66 7.693 -6.148 -1.221 1.00 0.00 N ATOM 900 CA ARG A 66 9.146 -5.844 -1.094 1.00 0.00 C ATOM 901 C ARG A 66 9.839 -6.118 -2.430 1.00 0.00 C ATOM 902 O ARG A 66 9.361 -6.886 -3.241 1.00 0.00 O ATOM 903 CB ARG A 66 9.766 -6.728 -0.009 1.00 0.00 C ATOM 904 CG ARG A 66 8.924 -6.644 1.265 1.00 0.00 C ATOM 905 CD ARG A 66 8.995 -5.225 1.834 1.00 0.00 C ATOM 906 NE ARG A 66 8.529 -5.236 3.249 1.00 0.00 N ATOM 907 CZ ARG A 66 9.236 -4.648 4.174 1.00 0.00 C ATOM 908 NH1 ARG A 66 9.102 -3.366 4.382 1.00 0.00 N ATOM 909 NH2 ARG A 66 10.076 -5.341 4.892 1.00 0.00 N ATOM 0 H ARG A 66 7.438 -7.122 -1.060 1.00 0.00 H new ATOM 0 HA ARG A 66 9.274 -4.796 -0.822 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.820 -7.761 -0.354 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.787 -6.407 0.196 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.889 -6.908 1.047 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.288 -7.361 2.001 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.017 -4.850 1.779 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.376 -4.552 1.241 1.00 0.00 H new ATOM 0 HE ARG A 66 7.656 -5.704 3.495 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.444 -2.824 3.821 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.655 -2.906 5.105 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.180 -6.343 4.730 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.629 -4.881 5.615 1.00 0.00 H new