USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 448 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 GLY N :NH3+ -126:sc= 1.31 (180deg=-0.301) USER MOD Single : A 2 LYS NZ :NH3+ -163:sc= -0.48 (180deg=-0.756) 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= 0.192 K(o=0.19,f=-8.6!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.341 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0.607 K(o=0.61,f=-2.9!) USER MOD Single : A 35 GLN : amide:sc= -0.486 X(o=-0.49,f=-0.3) USER MOD Single : A 37 LYS NZ :NH3+ -156:sc= 0.889 (180deg=0.0236) USER MOD Single : A 39 SER OG : rot -108:sc= 0.0932 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 165:sc= -0.0169 (180deg=-0.359) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 60 GLN : amide:sc= 0.514 K(o=0.51,f=-0.2) USER MOD Single : A 61 SER OG : rot -127:sc= 1.34 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.693 4.690 9.298 1.00 1.00 N ATOM 2 CA GLY A 1 -21.661 4.836 8.224 1.00 1.00 C ATOM 3 C GLY A 1 -21.228 4.049 6.985 1.00 1.00 C ATOM 4 O GLY A 1 -20.493 3.070 7.093 1.00 1.00 O ATOM 0 H1 GLY A 1 -21.176 4.359 10.158 1.00 1.00 H new ATOM 0 H2 GLY A 1 -19.968 3.998 9.020 1.00 1.00 H new ATOM 0 H3 GLY A 1 -20.242 5.608 9.486 1.00 1.00 H new ATOM 0 HA2 GLY A 1 -22.637 4.485 8.559 1.00 1.00 H new ATOM 0 HA3 GLY A 1 -21.771 5.890 7.970 1.00 1.00 H new ATOM 10 N LYS A 2 -21.704 4.508 5.837 1.00 1.00 N ATOM 11 CA LYS A 2 -21.229 3.983 4.568 1.00 1.00 C ATOM 12 C LYS A 2 -19.716 4.186 4.471 1.00 1.00 C ATOM 13 O LYS A 2 -19.230 5.313 4.555 1.00 1.00 O ATOM 14 CB LYS A 2 -22.008 4.603 3.406 1.00 1.00 C ATOM 15 CG LYS A 2 -21.648 6.080 3.230 1.00 1.00 C ATOM 16 CD LYS A 2 -22.735 6.821 2.452 1.00 1.00 C ATOM 17 CE LYS A 2 -23.664 7.584 3.399 1.00 1.00 C ATOM 18 NZ LYS A 2 -24.323 6.652 4.341 1.00 1.00 N ATOM 0 H LYS A 2 -22.413 5.237 5.759 1.00 1.00 H new ATOM 0 HA LYS A 2 -21.412 2.910 4.508 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -21.790 4.060 2.486 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -23.078 4.505 3.588 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -21.515 6.544 4.207 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -20.697 6.166 2.704 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -22.275 7.516 1.750 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -23.314 6.110 1.863 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -23.095 8.329 3.954 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -24.417 8.122 2.824 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -25.146 7.119 4.773 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -24.637 5.804 3.828 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -23.650 6.377 5.085 1.00 1.00 H new ATOM 31 N GLU A 3 -19.012 3.077 4.295 1.00 1.00 N ATOM 32 CA GLU A 3 -17.574 3.062 4.501 1.00 1.00 C ATOM 33 C GLU A 3 -16.907 2.089 3.527 1.00 1.00 C ATOM 34 O GLU A 3 -17.550 1.165 3.030 1.00 1.00 O ATOM 35 CB GLU A 3 -17.231 2.709 5.950 1.00 1.00 C ATOM 36 CG GLU A 3 -17.305 3.945 6.848 1.00 1.00 C ATOM 37 CD GLU A 3 -17.254 3.552 8.326 1.00 1.00 C ATOM 38 OE1 GLU A 3 -16.101 3.157 8.746 1.00 1.00 O ATOM 39 OE2 GLU A 3 -18.277 3.627 9.023 1.00 1.00 O ATOM 0 H GLU A 3 -19.411 2.182 4.012 1.00 1.00 H new ATOM 0 HA GLU A 3 -17.189 4.063 4.304 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -17.920 1.948 6.315 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -16.230 2.281 5.996 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -16.478 4.616 6.618 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -18.226 4.492 6.645 1.00 1.00 H new ATOM 46 N CYS A 4 -15.628 2.330 3.282 1.00 1.00 N ATOM 47 CA CYS A 4 -14.849 1.444 2.434 1.00 1.00 C ATOM 48 C CYS A 4 -13.511 1.170 3.124 1.00 1.00 C ATOM 49 O CYS A 4 -12.869 2.090 3.629 1.00 1.00 O ATOM 50 CB CYS A 4 -14.659 2.027 1.032 1.00 1.00 C ATOM 51 SG CYS A 4 -16.203 2.243 0.075 1.00 1.00 S ATOM 0 H CYS A 4 -15.111 3.126 3.656 1.00 1.00 H new ATOM 0 HA CYS A 4 -15.384 0.504 2.297 1.00 1.00 H new ATOM 0 HB2 CYS A 4 -14.164 2.994 1.120 1.00 1.00 H new ATOM 0 HB3 CYS A 4 -13.988 1.376 0.471 1.00 1.00 H new ATOM 56 N ASP A 5 -13.131 -0.099 3.125 1.00 1.00 N ATOM 57 CA ASP A 5 -11.800 -0.481 3.568 1.00 1.00 C ATOM 58 C ASP A 5 -10.810 -0.293 2.417 1.00 1.00 C ATOM 59 O ASP A 5 -9.601 -0.239 2.636 1.00 1.00 O ATOM 60 CB ASP A 5 -11.762 -1.951 3.989 1.00 1.00 C ATOM 61 CG ASP A 5 -12.455 -2.262 5.317 1.00 1.00 C ATOM 62 OD1 ASP A 5 -12.992 -1.246 5.902 1.00 1.00 O ATOM 63 OD2 ASP A 5 -12.479 -3.417 5.770 1.00 1.00 O ATOM 0 H ASP A 5 -13.721 -0.876 2.826 1.00 1.00 H new ATOM 0 HA ASP A 5 -11.535 0.146 4.420 1.00 1.00 H new ATOM 0 HB2 ASP A 5 -12.226 -2.550 3.205 1.00 1.00 H new ATOM 0 HB3 ASP A 5 -10.721 -2.267 4.057 1.00 1.00 H new ATOM 68 N CYS A 6 -11.360 -0.198 1.215 1.00 1.00 N ATOM 69 CA CYS A 6 -10.544 0.030 0.035 1.00 1.00 C ATOM 70 C CYS A 6 -10.851 1.432 -0.498 1.00 1.00 C ATOM 71 O CYS A 6 -11.755 2.103 -0.003 1.00 1.00 O ATOM 72 CB CYS A 6 -10.772 -1.046 -1.028 1.00 1.00 C ATOM 73 SG CYS A 6 -10.419 -2.755 -0.477 1.00 1.00 S ATOM 0 H CYS A 6 -12.361 -0.275 1.033 1.00 1.00 H new ATOM 0 HA CYS A 6 -9.489 -0.034 0.302 1.00 1.00 H new ATOM 0 HB2 CYS A 6 -11.808 -0.993 -1.362 1.00 1.00 H new ATOM 0 HB3 CYS A 6 -10.147 -0.821 -1.892 1.00 1.00 H new ATOM 78 N SER A 7 -10.080 1.832 -1.499 1.00 1.00 N ATOM 79 CA SER A 7 -10.354 3.070 -2.205 1.00 1.00 C ATOM 80 C SER A 7 -11.179 2.786 -3.463 1.00 1.00 C ATOM 81 O SER A 7 -11.679 3.708 -4.104 1.00 1.00 O ATOM 82 CB SER A 7 -9.057 3.793 -2.574 1.00 1.00 C ATOM 83 OG SER A 7 -8.321 4.191 -1.421 1.00 1.00 O ATOM 0 H SER A 7 -9.266 1.319 -1.837 1.00 1.00 H new ATOM 0 HA SER A 7 -10.926 3.720 -1.543 1.00 1.00 H new ATOM 0 HB2 SER A 7 -8.440 3.139 -3.190 1.00 1.00 H new ATOM 0 HB3 SER A 7 -9.290 4.671 -3.176 1.00 1.00 H new ATOM 0 HG SER A 7 -7.499 4.647 -1.699 1.00 1.00 H new ATOM 89 N SER A 8 -11.295 1.504 -3.777 1.00 1.00 N ATOM 90 CA SER A 8 -11.921 1.092 -5.022 1.00 1.00 C ATOM 91 C SER A 8 -12.775 -0.156 -4.790 1.00 1.00 C ATOM 92 O SER A 8 -12.433 -1.003 -3.966 1.00 1.00 O ATOM 93 CB SER A 8 -10.873 0.826 -6.103 1.00 1.00 C ATOM 94 OG SER A 8 -10.129 1.998 -6.426 1.00 1.00 O ATOM 0 H SER A 8 -10.966 0.737 -3.191 1.00 1.00 H new ATOM 0 HA SER A 8 -12.562 1.903 -5.368 1.00 1.00 H new ATOM 0 HB2 SER A 8 -10.191 0.046 -5.763 1.00 1.00 H new ATOM 0 HB3 SER A 8 -11.365 0.450 -7.000 1.00 1.00 H new ATOM 0 HG SER A 8 -9.469 1.786 -7.119 1.00 1.00 H new ATOM 100 N PRO A 9 -13.898 -0.234 -5.552 1.00 1.00 N ATOM 101 CA PRO A 9 -14.718 -1.434 -5.559 1.00 1.00 C ATOM 102 C PRO A 9 -14.051 -2.548 -6.367 1.00 1.00 C ATOM 103 O PRO A 9 -14.303 -3.729 -6.130 1.00 1.00 O ATOM 104 CB PRO A 9 -16.052 -0.995 -6.139 1.00 1.00 C ATOM 105 CG PRO A 9 -15.783 0.312 -6.864 1.00 1.00 C ATOM 106 CD PRO A 9 -14.417 0.816 -6.425 1.00 1.00 C ATOM 0 HA PRO A 9 -14.852 -1.858 -4.564 1.00 1.00 H new ATOM 0 HB2 PRO A 9 -16.446 -1.747 -6.823 1.00 1.00 H new ATOM 0 HB3 PRO A 9 -16.794 -0.859 -5.352 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -15.806 0.162 -7.943 1.00 1.00 H new ATOM 0 HG3 PRO A 9 -16.554 1.045 -6.628 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -13.762 0.980 -7.280 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -14.496 1.767 -5.897 1.00 1.00 H new ATOM 114 N GLU A 10 -13.212 -2.135 -7.306 1.00 1.00 N ATOM 115 CA GLU A 10 -12.499 -3.084 -8.144 1.00 1.00 C ATOM 116 C GLU A 10 -11.417 -3.799 -7.333 1.00 1.00 C ATOM 117 O GLU A 10 -10.989 -4.894 -7.692 1.00 1.00 O ATOM 118 CB GLU A 10 -11.899 -2.391 -9.369 1.00 1.00 C ATOM 119 CG GLU A 10 -11.451 -3.415 -10.412 1.00 1.00 C ATOM 120 CD GLU A 10 -12.645 -4.201 -10.960 1.00 1.00 C ATOM 121 OE1 GLU A 10 -13.608 -3.597 -11.454 1.00 1.00 O ATOM 122 OE2 GLU A 10 -12.546 -5.483 -10.859 1.00 1.00 O ATOM 0 H GLU A 10 -13.010 -1.155 -7.505 1.00 1.00 H new ATOM 0 HA GLU A 10 -13.210 -3.829 -8.501 1.00 1.00 H new ATOM 0 HB2 GLU A 10 -12.636 -1.718 -9.808 1.00 1.00 H new ATOM 0 HB3 GLU A 10 -11.049 -1.780 -9.066 1.00 1.00 H new ATOM 0 HG2 GLU A 10 -10.940 -2.906 -11.230 1.00 1.00 H new ATOM 0 HG3 GLU A 10 -10.733 -4.103 -9.966 1.00 1.00 H new ATOM 129 N ASN A 11 -11.004 -3.149 -6.254 1.00 1.00 N ATOM 130 CA ASN A 11 -9.997 -3.720 -5.376 1.00 1.00 C ATOM 131 C ASN A 11 -10.460 -5.100 -4.906 1.00 1.00 C ATOM 132 O ASN A 11 -11.472 -5.217 -4.216 1.00 1.00 O ATOM 133 CB ASN A 11 -9.786 -2.844 -4.139 1.00 1.00 C ATOM 134 CG ASN A 11 -8.481 -3.208 -3.427 1.00 1.00 C ATOM 135 OD1 ASN A 11 -8.099 -4.363 -3.326 1.00 1.00 O ATOM 136 ND2 ASN A 11 -7.821 -2.161 -2.940 1.00 1.00 N ATOM 0 H ASN A 11 -11.349 -2.233 -5.968 1.00 1.00 H new ATOM 0 HA ASN A 11 -9.063 -3.789 -5.933 1.00 1.00 H new ATOM 0 HB2 ASN A 11 -9.765 -1.794 -4.431 1.00 1.00 H new ATOM 0 HB3 ASN A 11 -10.625 -2.967 -3.454 1.00 1.00 H new ATOM 0 HD21 ASN A 11 -6.939 -2.299 -2.447 1.00 1.00 H new ATOM 0 HD22 ASN A 11 -8.197 -1.220 -3.060 1.00 1.00 H new ATOM 143 N PRO A 12 -9.677 -6.137 -5.307 1.00 1.00 N ATOM 144 CA PRO A 12 -10.062 -7.512 -5.040 1.00 1.00 C ATOM 145 C PRO A 12 -9.838 -7.868 -3.569 1.00 1.00 C ATOM 146 O PRO A 12 -10.185 -8.965 -3.133 1.00 1.00 O ATOM 147 CB PRO A 12 -9.218 -8.348 -5.989 1.00 1.00 C ATOM 148 CG PRO A 12 -8.066 -7.454 -6.418 1.00 1.00 C ATOM 149 CD PRO A 12 -8.410 -6.027 -6.023 1.00 1.00 C ATOM 0 HA PRO A 12 -11.124 -7.692 -5.209 1.00 1.00 H new ATOM 0 HB2 PRO A 12 -8.851 -9.248 -5.496 1.00 1.00 H new ATOM 0 HB3 PRO A 12 -9.803 -8.672 -6.850 1.00 1.00 H new ATOM 0 HG2 PRO A 12 -7.139 -7.770 -5.939 1.00 1.00 H new ATOM 0 HG3 PRO A 12 -7.909 -7.525 -7.494 1.00 1.00 H new ATOM 0 HD2 PRO A 12 -7.635 -5.593 -5.392 1.00 1.00 H new ATOM 0 HD3 PRO A 12 -8.504 -5.385 -6.899 1.00 1.00 H new ATOM 157 N CYS A 13 -9.262 -6.920 -2.845 1.00 1.00 N ATOM 158 CA CYS A 13 -9.189 -7.025 -1.397 1.00 1.00 C ATOM 159 C CYS A 13 -10.596 -6.826 -0.830 1.00 1.00 C ATOM 160 O CYS A 13 -10.933 -7.380 0.215 1.00 1.00 O ATOM 161 CB CYS A 13 -8.190 -6.027 -0.807 1.00 1.00 C ATOM 162 SG CYS A 13 -6.518 -6.087 -1.549 1.00 1.00 S ATOM 0 H CYS A 13 -8.842 -6.076 -3.233 1.00 1.00 H new ATOM 0 HA CYS A 13 -8.822 -8.013 -1.119 1.00 1.00 H new ATOM 0 HB2 CYS A 13 -8.590 -5.020 -0.927 1.00 1.00 H new ATOM 0 HB3 CYS A 13 -8.104 -6.210 0.264 1.00 1.00 H new ATOM 167 N CYS A 14 -11.381 -6.032 -1.544 1.00 1.00 N ATOM 168 CA CYS A 14 -12.731 -5.722 -1.105 1.00 1.00 C ATOM 169 C CYS A 14 -13.715 -6.412 -2.052 1.00 1.00 C ATOM 170 O CYS A 14 -13.426 -6.584 -3.235 1.00 1.00 O ATOM 171 CB CYS A 14 -12.970 -4.212 -1.035 1.00 1.00 C ATOM 172 SG CYS A 14 -12.146 -3.369 0.365 1.00 1.00 S ATOM 0 H CYS A 14 -11.108 -5.594 -2.424 1.00 1.00 H new ATOM 0 HA CYS A 14 -12.881 -6.095 -0.092 1.00 1.00 H new ATOM 0 HB2 CYS A 14 -12.627 -3.760 -1.966 1.00 1.00 H new ATOM 0 HB3 CYS A 14 -14.043 -4.031 -0.969 1.00 1.00 H new ATOM 177 N ASP A 15 -14.856 -6.788 -1.495 1.00 1.00 N ATOM 178 CA ASP A 15 -16.041 -7.022 -2.303 1.00 1.00 C ATOM 179 C ASP A 15 -16.637 -5.678 -2.727 1.00 1.00 C ATOM 180 O ASP A 15 -16.602 -4.712 -1.966 1.00 1.00 O ATOM 181 CB ASP A 15 -17.107 -7.782 -1.511 1.00 1.00 C ATOM 182 CG ASP A 15 -18.303 -8.265 -2.334 1.00 1.00 C ATOM 183 OD1 ASP A 15 -19.296 -7.541 -2.502 1.00 1.00 O ATOM 184 OD2 ASP A 15 -18.187 -9.454 -2.820 1.00 1.00 O ATOM 0 H ASP A 15 -14.986 -6.937 -0.494 1.00 1.00 H new ATOM 0 HA ASP A 15 -15.746 -7.613 -3.170 1.00 1.00 H new ATOM 0 HB2 ASP A 15 -16.639 -8.645 -1.037 1.00 1.00 H new ATOM 0 HB3 ASP A 15 -17.472 -7.138 -0.711 1.00 1.00 H new ATOM 189 N ALA A 16 -17.169 -5.660 -3.940 1.00 1.00 N ATOM 190 CA ALA A 16 -17.602 -4.413 -4.549 1.00 1.00 C ATOM 191 C ALA A 16 -18.847 -3.901 -3.822 1.00 1.00 C ATOM 192 O ALA A 16 -19.038 -2.693 -3.685 1.00 1.00 O ATOM 193 CB ALA A 16 -17.848 -4.632 -6.042 1.00 1.00 C ATOM 0 H ALA A 16 -17.310 -6.489 -4.518 1.00 1.00 H new ATOM 0 HA ALA A 16 -16.828 -3.651 -4.455 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -18.173 -3.697 -6.498 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -16.926 -4.967 -6.517 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -18.621 -5.389 -6.176 1.00 1.00 H new ATOM 199 N ALA A 17 -19.662 -4.845 -3.374 1.00 1.00 N ATOM 200 CA ALA A 17 -20.983 -4.515 -2.868 1.00 1.00 C ATOM 201 C ALA A 17 -20.848 -3.857 -1.493 1.00 1.00 C ATOM 202 O ALA A 17 -21.478 -2.835 -1.225 1.00 1.00 O ATOM 203 CB ALA A 17 -21.845 -5.778 -2.827 1.00 1.00 C ATOM 0 H ALA A 17 -19.433 -5.839 -3.351 1.00 1.00 H new ATOM 0 HA ALA A 17 -21.479 -3.803 -3.528 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -22.836 -5.530 -2.447 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -21.934 -6.190 -3.832 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -21.380 -6.515 -2.172 1.00 1.00 H new ATOM 209 N THR A 18 -20.020 -4.469 -0.658 1.00 1.00 N ATOM 210 CA THR A 18 -19.828 -3.982 0.697 1.00 1.00 C ATOM 211 C THR A 18 -18.705 -2.943 0.737 1.00 1.00 C ATOM 212 O THR A 18 -18.645 -2.125 1.652 1.00 1.00 O ATOM 213 CB THR A 18 -19.572 -5.189 1.601 1.00 1.00 C ATOM 214 OG1 THR A 18 -18.452 -5.838 1.005 1.00 1.00 O ATOM 215 CG2 THR A 18 -20.692 -6.229 1.521 1.00 1.00 C ATOM 0 H THR A 18 -19.475 -5.298 -0.894 1.00 1.00 H new ATOM 0 HA THR A 18 -20.717 -3.467 1.062 1.00 1.00 H new ATOM 0 HB THR A 18 -19.462 -4.853 2.632 1.00 1.00 H new ATOM 0 HG1 THR A 18 -18.217 -6.632 1.529 1.00 1.00 H new ATOM 0 HG21 THR A 18 -20.460 -7.065 2.182 1.00 1.00 H new ATOM 0 HG22 THR A 18 -21.634 -5.774 1.828 1.00 1.00 H new ATOM 0 HG23 THR A 18 -20.781 -6.590 0.496 1.00 1.00 H new ATOM 223 N CYS A 19 -17.844 -3.011 -0.268 1.00 1.00 N ATOM 224 CA CYS A 19 -16.733 -2.081 -0.363 1.00 1.00 C ATOM 225 C CYS A 19 -15.734 -2.409 0.749 1.00 1.00 C ATOM 226 O CYS A 19 -14.989 -1.538 1.195 1.00 1.00 O ATOM 227 CB CYS A 19 -17.203 -0.627 -0.296 1.00 1.00 C ATOM 228 SG CYS A 19 -16.119 0.572 -1.155 1.00 1.00 S ATOM 0 H CYS A 19 -17.894 -3.695 -1.023 1.00 1.00 H new ATOM 0 HA CYS A 19 -16.246 -2.192 -1.332 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -18.203 -0.563 -0.725 1.00 1.00 H new ATOM 0 HB3 CYS A 19 -17.286 -0.335 0.751 1.00 1.00 H new ATOM 233 N LYS A 20 -15.753 -3.668 1.164 1.00 1.00 N ATOM 234 CA LYS A 20 -15.124 -4.051 2.417 1.00 1.00 C ATOM 235 C LYS A 20 -14.447 -5.412 2.247 1.00 1.00 C ATOM 236 O LYS A 20 -14.811 -6.185 1.362 1.00 1.00 O ATOM 237 CB LYS A 20 -16.139 -4.008 3.561 1.00 1.00 C ATOM 238 CG LYS A 20 -15.616 -3.165 4.726 1.00 1.00 C ATOM 239 CD LYS A 20 -16.758 -2.743 5.653 1.00 1.00 C ATOM 240 CE LYS A 20 -17.423 -1.459 5.154 1.00 1.00 C ATOM 241 NZ LYS A 20 -18.521 -1.057 6.062 1.00 1.00 N ATOM 0 H LYS A 20 -16.193 -4.435 0.655 1.00 1.00 H new ATOM 0 HA LYS A 20 -14.345 -3.338 2.686 1.00 1.00 H new ATOM 0 HB2 LYS A 20 -17.081 -3.593 3.201 1.00 1.00 H new ATOM 0 HB3 LYS A 20 -16.348 -5.021 3.905 1.00 1.00 H new ATOM 0 HG2 LYS A 20 -14.877 -3.735 5.289 1.00 1.00 H new ATOM 0 HG3 LYS A 20 -15.110 -2.280 4.341 1.00 1.00 H new ATOM 0 HD2 LYS A 20 -17.498 -3.541 5.711 1.00 1.00 H new ATOM 0 HD3 LYS A 20 -16.375 -2.590 6.662 1.00 1.00 H new ATOM 0 HE2 LYS A 20 -16.684 -0.660 5.092 1.00 1.00 H new ATOM 0 HE3 LYS A 20 -17.813 -1.612 4.148 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 -18.962 -0.184 5.709 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 -19.234 -1.813 6.101 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 -18.140 -0.891 7.015 1.00 1.00 H new ATOM 254 N LEU A 21 -13.473 -5.665 3.108 1.00 1.00 N ATOM 255 CA LEU A 21 -12.542 -6.759 2.886 1.00 1.00 C ATOM 256 C LEU A 21 -13.315 -8.078 2.839 1.00 1.00 C ATOM 257 O LEU A 21 -14.135 -8.353 3.712 1.00 1.00 O ATOM 258 CB LEU A 21 -11.428 -6.736 3.936 1.00 1.00 C ATOM 259 CG LEU A 21 -10.593 -5.457 3.999 1.00 1.00 C ATOM 260 CD1 LEU A 21 -9.924 -5.306 5.367 1.00 1.00 C ATOM 261 CD2 LEU A 21 -9.577 -5.408 2.857 1.00 1.00 C ATOM 0 H LEU A 21 -13.308 -5.131 3.961 1.00 1.00 H new ATOM 0 HA LEU A 21 -12.044 -6.646 1.923 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -11.876 -6.903 4.916 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -10.758 -7.574 3.745 1.00 1.00 H new ATOM 0 HG LEU A 21 -11.262 -4.606 3.871 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -9.336 -4.388 5.385 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -10.688 -5.263 6.143 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -9.270 -6.159 5.549 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -8.997 -4.488 2.926 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -8.908 -6.265 2.928 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -10.102 -5.436 1.902 1.00 1.00 H new ATOM 273 N ARG A 22 -13.026 -8.859 1.808 1.00 1.00 N ATOM 274 CA ARG A 22 -13.316 -10.282 1.843 1.00 1.00 C ATOM 275 C ARG A 22 -12.271 -11.016 2.685 1.00 1.00 C ATOM 276 O ARG A 22 -12.585 -11.538 3.754 1.00 1.00 O ATOM 277 CB ARG A 22 -13.334 -10.876 0.434 1.00 1.00 C ATOM 278 CG ARG A 22 -14.198 -10.034 -0.506 1.00 1.00 C ATOM 279 CD ARG A 22 -13.380 -9.518 -1.692 1.00 1.00 C ATOM 280 NE ARG A 22 -12.874 -10.657 -2.491 1.00 1.00 N ATOM 281 CZ ARG A 22 -12.830 -10.675 -3.840 1.00 1.00 C ATOM 282 NH1 ARG A 22 -12.936 -9.529 -4.544 1.00 1.00 N ATOM 283 NH2 ARG A 22 -12.683 -11.832 -4.460 1.00 1.00 N ATOM 0 H ARG A 22 -12.594 -8.533 0.943 1.00 1.00 H new ATOM 0 HA ARG A 22 -14.302 -10.408 2.290 1.00 1.00 H new ATOM 0 HB2 ARG A 22 -12.317 -10.932 0.046 1.00 1.00 H new ATOM 0 HB3 ARG A 22 -13.718 -11.896 0.470 1.00 1.00 H new ATOM 0 HG2 ARG A 22 -15.034 -10.631 -0.869 1.00 1.00 H new ATOM 0 HG3 ARG A 22 -14.622 -9.192 0.041 1.00 1.00 H new ATOM 0 HD2 ARG A 22 -13.997 -8.871 -2.316 1.00 1.00 H new ATOM 0 HD3 ARG A 22 -12.546 -8.915 -1.334 1.00 1.00 H new ATOM 0 HE ARG A 22 -12.538 -11.480 -1.991 1.00 1.00 H new ATOM 0 HH11 ARG A 22 -13.050 -8.640 -4.057 1.00 1.00 H new ATOM 0 HH12 ARG A 22 -12.902 -9.552 -5.563 1.00 1.00 H new ATOM 0 HH21 ARG A 22 -12.605 -12.694 -3.920 1.00 1.00 H new ATOM 0 HH22 ARG A 22 -12.648 -11.864 -5.479 1.00 1.00 H new ATOM 296 N PRO A 23 -11.018 -11.034 2.159 1.00 1.00 N ATOM 297 CA PRO A 23 -10.147 -12.184 2.336 1.00 1.00 C ATOM 298 C PRO A 23 -9.588 -12.235 3.758 1.00 1.00 C ATOM 299 O PRO A 23 -10.027 -11.484 4.629 1.00 1.00 O ATOM 300 CB PRO A 23 -9.067 -12.026 1.278 1.00 1.00 C ATOM 301 CG PRO A 23 -9.106 -10.566 0.858 1.00 1.00 C ATOM 302 CD PRO A 23 -10.398 -9.963 1.384 1.00 1.00 C ATOM 0 HA PRO A 23 -10.671 -13.132 2.212 1.00 1.00 H new ATOM 0 HB2 PRO A 23 -8.088 -12.292 1.677 1.00 1.00 H new ATOM 0 HB3 PRO A 23 -9.254 -12.682 0.428 1.00 1.00 H new ATOM 0 HG2 PRO A 23 -8.245 -10.031 1.258 1.00 1.00 H new ATOM 0 HG3 PRO A 23 -9.059 -10.480 -0.228 1.00 1.00 H new ATOM 0 HD2 PRO A 23 -10.203 -9.088 2.004 1.00 1.00 H new ATOM 0 HD3 PRO A 23 -11.045 -9.639 0.569 1.00 1.00 H new ATOM 310 N GLY A 24 -8.627 -13.127 3.951 1.00 1.00 N ATOM 311 CA GLY A 24 -7.754 -13.048 5.110 1.00 1.00 C ATOM 312 C GLY A 24 -6.794 -11.863 4.993 1.00 1.00 C ATOM 313 O GLY A 24 -5.582 -12.050 4.893 1.00 1.00 O ATOM 0 H GLY A 24 -8.434 -13.908 3.324 1.00 1.00 H new ATOM 0 HA2 GLY A 24 -8.353 -12.947 6.015 1.00 1.00 H new ATOM 0 HA3 GLY A 24 -7.186 -13.973 5.205 1.00 1.00 H new ATOM 317 N ALA A 25 -7.371 -10.671 5.009 1.00 1.00 N ATOM 318 CA ALA A 25 -6.615 -9.469 4.702 1.00 1.00 C ATOM 319 C ALA A 25 -6.610 -8.548 5.924 1.00 1.00 C ATOM 320 O ALA A 25 -7.423 -8.710 6.831 1.00 1.00 O ATOM 321 CB ALA A 25 -7.211 -8.793 3.466 1.00 1.00 C ATOM 0 H ALA A 25 -8.354 -10.512 5.230 1.00 1.00 H new ATOM 0 HA ALA A 25 -5.579 -9.716 4.471 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -6.644 -7.891 3.236 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -7.164 -9.477 2.619 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -8.250 -8.528 3.662 1.00 1.00 H new ATOM 327 N GLN A 26 -5.684 -7.601 5.907 1.00 1.00 N ATOM 328 CA GLN A 26 -5.666 -6.552 6.913 1.00 1.00 C ATOM 329 C GLN A 26 -6.239 -5.256 6.339 1.00 1.00 C ATOM 330 O GLN A 26 -7.068 -4.605 6.971 1.00 1.00 O ATOM 331 CB GLN A 26 -4.252 -6.335 7.455 1.00 1.00 C ATOM 332 CG GLN A 26 -3.783 -7.547 8.264 1.00 1.00 C ATOM 333 CD GLN A 26 -2.293 -7.440 8.596 1.00 1.00 C ATOM 334 OE1 GLN A 26 -1.429 -7.634 7.757 1.00 1.00 O ATOM 335 NE2 GLN A 26 -2.043 -7.124 9.863 1.00 1.00 N ATOM 0 H GLN A 26 -4.940 -7.538 5.212 1.00 1.00 H new ATOM 0 HA GLN A 26 -6.294 -6.865 7.747 1.00 1.00 H new ATOM 0 HB2 GLN A 26 -3.565 -6.157 6.628 1.00 1.00 H new ATOM 0 HB3 GLN A 26 -4.232 -5.444 8.083 1.00 1.00 H new ATOM 0 HG2 GLN A 26 -4.361 -7.619 9.186 1.00 1.00 H new ATOM 0 HG3 GLN A 26 -3.969 -8.460 7.699 1.00 1.00 H new ATOM 0 HE21 GLN A 26 -2.815 -6.975 10.513 1.00 1.00 H new ATOM 0 HE22 GLN A 26 -1.080 -7.030 10.185 1.00 1.00 H new ATOM 344 N CYS A 27 -5.771 -4.918 5.145 1.00 1.00 N ATOM 345 CA CYS A 27 -6.071 -3.621 4.564 1.00 1.00 C ATOM 346 C CYS A 27 -6.391 -3.820 3.082 1.00 1.00 C ATOM 347 O CYS A 27 -6.157 -4.894 2.531 1.00 1.00 O ATOM 348 CB CYS A 27 -4.922 -2.630 4.770 1.00 1.00 C ATOM 349 SG CYS A 27 -3.269 -3.264 4.309 1.00 1.00 S ATOM 0 H CYS A 27 -5.187 -5.520 4.565 1.00 1.00 H new ATOM 0 HA CYS A 27 -6.935 -3.186 5.066 1.00 1.00 H new ATOM 0 HB2 CYS A 27 -5.127 -1.732 4.187 1.00 1.00 H new ATOM 0 HB3 CYS A 27 -4.902 -2.332 5.818 1.00 1.00 H new ATOM 354 N GLY A 28 -6.922 -2.768 2.476 1.00 1.00 N ATOM 355 CA GLY A 28 -7.247 -2.802 1.061 1.00 1.00 C ATOM 356 C GLY A 28 -6.236 -1.992 0.246 1.00 1.00 C ATOM 357 O GLY A 28 -5.819 -2.416 -0.830 1.00 1.00 O ATOM 0 H GLY A 28 -7.135 -1.885 2.941 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -7.257 -3.834 0.711 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -8.249 -2.402 0.905 1.00 1.00 H new ATOM 361 N GLU A 29 -5.873 -0.840 0.792 1.00 1.00 N ATOM 362 CA GLU A 29 -5.046 0.105 0.062 1.00 1.00 C ATOM 363 C GLU A 29 -4.033 0.761 1.003 1.00 1.00 C ATOM 364 O GLU A 29 -4.175 0.687 2.222 1.00 1.00 O ATOM 365 CB GLU A 29 -5.904 1.158 -0.640 1.00 1.00 C ATOM 366 CG GLU A 29 -6.098 0.813 -2.117 1.00 1.00 C ATOM 367 CD GLU A 29 -5.122 1.600 -2.996 1.00 1.00 C ATOM 368 OE1 GLU A 29 -3.911 1.154 -3.001 1.00 1.00 O ATOM 369 OE2 GLU A 29 -5.519 2.586 -3.634 1.00 1.00 O ATOM 0 H GLU A 29 -6.137 -0.540 1.731 1.00 1.00 H new ATOM 0 HA GLU A 29 -4.499 -0.440 -0.707 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -6.875 1.227 -0.149 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -5.431 2.136 -0.551 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -5.948 -0.256 -2.267 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -7.123 1.036 -2.415 1.00 1.00 H new ATOM 376 N GLY A 30 -3.034 1.388 0.401 1.00 1.00 N ATOM 377 CA GLY A 30 -1.925 1.936 1.165 1.00 1.00 C ATOM 378 C GLY A 30 -0.583 1.518 0.559 1.00 1.00 C ATOM 379 O GLY A 30 -0.486 0.472 -0.080 1.00 1.00 O ATOM 0 H GLY A 30 -2.969 1.529 -0.607 1.00 1.00 H new ATOM 0 HA2 GLY A 30 -1.996 3.024 1.187 1.00 1.00 H new ATOM 0 HA3 GLY A 30 -1.985 1.592 2.198 1.00 1.00 H new ATOM 383 N LEU A 31 0.417 2.358 0.781 1.00 1.00 N ATOM 384 CA LEU A 31 1.716 2.156 0.162 1.00 1.00 C ATOM 385 C LEU A 31 2.416 0.971 0.830 1.00 1.00 C ATOM 386 O LEU A 31 3.260 0.319 0.218 1.00 1.00 O ATOM 387 CB LEU A 31 2.532 3.449 0.194 1.00 1.00 C ATOM 388 CG LEU A 31 1.962 4.622 -0.607 1.00 1.00 C ATOM 389 CD1 LEU A 31 2.744 5.907 -0.331 1.00 1.00 C ATOM 390 CD2 LEU A 31 1.908 4.293 -2.100 1.00 1.00 C ATOM 0 H LEU A 31 0.354 3.180 1.381 1.00 1.00 H new ATOM 0 HA LEU A 31 1.600 1.905 -0.892 1.00 1.00 H new ATOM 0 HB2 LEU A 31 2.639 3.762 1.233 1.00 1.00 H new ATOM 0 HB3 LEU A 31 3.533 3.233 -0.179 1.00 1.00 H new ATOM 0 HG LEU A 31 0.937 4.793 -0.278 1.00 1.00 H new ATOM 0 HD11 LEU A 31 2.318 6.724 -0.913 1.00 1.00 H new ATOM 0 HD12 LEU A 31 2.685 6.148 0.730 1.00 1.00 H new ATOM 0 HD13 LEU A 31 3.787 5.766 -0.614 1.00 1.00 H new ATOM 0 HD21 LEU A 31 1.499 5.144 -2.645 1.00 1.00 H new ATOM 0 HD22 LEU A 31 2.914 4.079 -2.462 1.00 1.00 H new ATOM 0 HD23 LEU A 31 1.273 3.421 -2.258 1.00 1.00 H new ATOM 402 N CYS A 32 2.038 0.728 2.077 1.00 1.00 N ATOM 403 CA CYS A 32 2.640 -0.349 2.844 1.00 1.00 C ATOM 404 C CYS A 32 1.654 -1.518 2.886 1.00 1.00 C ATOM 405 O CYS A 32 1.899 -2.517 3.560 1.00 1.00 O ATOM 406 CB CYS A 32 3.039 0.111 4.247 1.00 1.00 C ATOM 407 SG CYS A 32 3.936 -1.138 5.239 1.00 1.00 S ATOM 0 H CYS A 32 1.323 1.258 2.575 1.00 1.00 H new ATOM 0 HA CYS A 32 3.563 -0.671 2.362 1.00 1.00 H new ATOM 0 HB2 CYS A 32 3.663 1.000 4.159 1.00 1.00 H new ATOM 0 HB3 CYS A 32 2.139 0.405 4.787 1.00 1.00 H new ATOM 412 N CYS A 33 0.561 -1.355 2.156 1.00 1.00 N ATOM 413 CA CYS A 33 -0.468 -2.381 2.109 1.00 1.00 C ATOM 414 C CYS A 33 -0.207 -3.266 0.888 1.00 1.00 C ATOM 415 O CYS A 33 -0.637 -2.944 -0.219 1.00 1.00 O ATOM 416 CB CYS A 33 -1.872 -1.774 2.085 1.00 1.00 C ATOM 417 SG CYS A 33 -3.233 -2.980 2.279 1.00 1.00 S ATOM 0 H CYS A 33 0.365 -0.528 1.592 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.422 -2.988 3.013 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -1.946 -1.033 2.881 1.00 1.00 H new ATOM 0 HB3 CYS A 33 -2.007 -1.244 1.142 1.00 1.00 H new ATOM 422 N GLU A 34 0.494 -4.363 1.131 1.00 1.00 N ATOM 423 CA GLU A 34 0.828 -5.289 0.063 1.00 1.00 C ATOM 424 C GLU A 34 0.158 -6.643 0.307 1.00 1.00 C ATOM 425 O GLU A 34 0.180 -7.159 1.423 1.00 1.00 O ATOM 426 CB GLU A 34 2.344 -5.445 -0.074 1.00 1.00 C ATOM 427 CG GLU A 34 3.017 -4.089 -0.298 1.00 1.00 C ATOM 428 CD GLU A 34 2.533 -3.447 -1.600 1.00 1.00 C ATOM 429 OE1 GLU A 34 2.644 -4.188 -2.649 1.00 1.00 O ATOM 430 OE2 GLU A 34 2.077 -2.293 -1.588 1.00 1.00 O ATOM 0 H GLU A 34 0.840 -4.632 2.052 1.00 1.00 H new ATOM 0 HA GLU A 34 0.452 -4.882 -0.875 1.00 1.00 H new ATOM 0 HB2 GLU A 34 2.748 -5.911 0.825 1.00 1.00 H new ATOM 0 HB3 GLU A 34 2.571 -6.110 -0.908 1.00 1.00 H new ATOM 0 HG2 GLU A 34 2.800 -3.428 0.541 1.00 1.00 H new ATOM 0 HG3 GLU A 34 4.099 -4.217 -0.331 1.00 1.00 H new ATOM 437 N GLN A 35 -0.422 -7.180 -0.757 1.00 1.00 N ATOM 438 CA GLN A 35 -1.220 -8.389 -0.645 1.00 1.00 C ATOM 439 C GLN A 35 -2.365 -8.178 0.349 1.00 1.00 C ATOM 440 O GLN A 35 -2.739 -9.098 1.075 1.00 1.00 O ATOM 441 CB GLN A 35 -0.353 -9.582 -0.236 1.00 1.00 C ATOM 442 CG GLN A 35 -0.999 -10.901 -0.669 1.00 1.00 C ATOM 443 CD GLN A 35 -0.968 -11.052 -2.192 1.00 1.00 C ATOM 444 OE1 GLN A 35 0.050 -11.356 -2.791 1.00 1.00 O ATOM 445 NE2 GLN A 35 -2.138 -10.823 -2.781 1.00 1.00 N ATOM 0 H GLN A 35 -0.355 -6.800 -1.701 1.00 1.00 H new ATOM 0 HA GLN A 35 -1.648 -8.611 -1.623 1.00 1.00 H new ATOM 0 HB2 GLN A 35 0.635 -9.491 -0.688 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -0.211 -9.580 0.845 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -0.474 -11.737 -0.206 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -2.030 -10.938 -0.317 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -2.951 -10.572 -2.219 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -2.222 -10.898 -3.795 1.00 1.00 H new ATOM 454 N CYS A 36 -2.890 -6.961 0.349 1.00 1.00 N ATOM 455 CA CYS A 36 -4.040 -6.642 1.177 1.00 1.00 C ATOM 456 C CYS A 36 -3.623 -6.763 2.644 1.00 1.00 C ATOM 457 O CYS A 36 -4.468 -6.949 3.519 1.00 1.00 O ATOM 458 CB CYS A 36 -5.239 -7.535 0.849 1.00 1.00 C ATOM 459 SG CYS A 36 -5.593 -7.717 -0.937 1.00 1.00 S ATOM 0 H CYS A 36 -2.540 -6.184 -0.212 1.00 1.00 H new ATOM 0 HA CYS A 36 -4.365 -5.621 0.975 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -5.065 -8.524 1.273 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -6.123 -7.128 1.341 1.00 1.00 H new ATOM 464 N LYS A 37 -2.323 -6.652 2.869 1.00 1.00 N ATOM 465 CA LYS A 37 -1.764 -6.915 4.183 1.00 1.00 C ATOM 466 C LYS A 37 -0.628 -5.927 4.457 1.00 1.00 C ATOM 467 O LYS A 37 -0.117 -5.292 3.536 1.00 1.00 O ATOM 468 CB LYS A 37 -1.347 -8.382 4.305 1.00 1.00 C ATOM 469 CG LYS A 37 -2.550 -9.268 4.636 1.00 1.00 C ATOM 470 CD LYS A 37 -2.128 -10.731 4.787 1.00 1.00 C ATOM 471 CE LYS A 37 -2.165 -11.454 3.438 1.00 1.00 C ATOM 472 NZ LYS A 37 -3.554 -11.528 2.930 1.00 1.00 N ATOM 0 H LYS A 37 -1.639 -6.383 2.162 1.00 1.00 H new ATOM 0 HA LYS A 37 -2.517 -6.757 4.955 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -0.893 -8.714 3.371 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -0.590 -8.485 5.082 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -3.017 -8.923 5.559 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -3.298 -9.181 3.848 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -1.122 -10.782 5.204 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -2.791 -11.234 5.491 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -1.536 -10.929 2.719 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -1.756 -12.459 3.545 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -3.641 -12.328 2.271 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -4.208 -11.663 3.727 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -3.790 -10.645 2.435 1.00 1.00 H new ATOM 485 N PHE A 38 -0.266 -5.829 5.728 1.00 1.00 N ATOM 486 CA PHE A 38 0.793 -4.922 6.137 1.00 1.00 C ATOM 487 C PHE A 38 2.169 -5.499 5.801 1.00 1.00 C ATOM 488 O PHE A 38 2.565 -6.528 6.347 1.00 1.00 O ATOM 489 CB PHE A 38 0.679 -4.755 7.653 1.00 1.00 C ATOM 490 CG PHE A 38 -0.401 -3.763 8.090 1.00 1.00 C ATOM 491 CD1 PHE A 38 -1.683 -3.924 7.666 1.00 1.00 C ATOM 492 CD2 PHE A 38 -0.079 -2.722 8.904 1.00 1.00 C ATOM 493 CE1 PHE A 38 -2.686 -3.003 8.073 1.00 1.00 C ATOM 494 CE2 PHE A 38 -1.082 -1.802 9.310 1.00 1.00 C ATOM 495 CZ PHE A 38 -2.363 -1.962 8.886 1.00 1.00 C ATOM 0 H PHE A 38 -0.687 -6.363 6.488 1.00 1.00 H new ATOM 0 HA PHE A 38 0.690 -3.971 5.615 1.00 1.00 H new ATOM 0 HB2 PHE A 38 0.468 -5.726 8.100 1.00 1.00 H new ATOM 0 HB3 PHE A 38 1.641 -4.425 8.045 1.00 1.00 H new ATOM 0 HD1 PHE A 38 -1.939 -4.751 7.020 1.00 1.00 H new ATOM 0 HD2 PHE A 38 0.939 -2.595 9.242 1.00 1.00 H new ATOM 0 HE1 PHE A 38 -3.704 -3.130 7.737 1.00 1.00 H new ATOM 0 HE2 PHE A 38 -0.826 -0.975 9.956 1.00 1.00 H new ATOM 0 HZ PHE A 38 -3.125 -1.262 9.195 1.00 1.00 H new ATOM 505 N SER A 39 2.862 -4.811 4.904 1.00 1.00 N ATOM 506 CA SER A 39 4.142 -5.295 4.416 1.00 1.00 C ATOM 507 C SER A 39 5.164 -5.312 5.554 1.00 1.00 C ATOM 508 O SER A 39 4.982 -4.636 6.566 1.00 1.00 O ATOM 509 CB SER A 39 4.651 -4.432 3.259 1.00 1.00 C ATOM 510 OG SER A 39 6.074 -4.389 3.211 1.00 1.00 O ATOM 0 H SER A 39 2.561 -3.923 4.503 1.00 1.00 H new ATOM 0 HA SER A 39 4.005 -6.311 4.045 1.00 1.00 H new ATOM 0 HB2 SER A 39 4.268 -4.826 2.317 1.00 1.00 H new ATOM 0 HB3 SER A 39 4.261 -3.419 3.363 1.00 1.00 H new ATOM 0 HG SER A 39 6.384 -3.501 3.487 1.00 1.00 H new ATOM 516 N ARG A 40 6.216 -6.092 5.351 1.00 1.00 N ATOM 517 CA ARG A 40 7.171 -6.352 6.414 1.00 1.00 C ATOM 518 C ARG A 40 7.972 -5.087 6.731 1.00 1.00 C ATOM 519 O ARG A 40 8.238 -4.279 5.842 1.00 1.00 O ATOM 520 CB ARG A 40 8.135 -7.474 6.026 1.00 1.00 C ATOM 521 CG ARG A 40 9.105 -7.012 4.937 1.00 1.00 C ATOM 522 CD ARG A 40 9.874 -8.195 4.348 1.00 1.00 C ATOM 523 NE ARG A 40 10.791 -8.759 5.364 1.00 1.00 N ATOM 524 CZ ARG A 40 11.515 -9.886 5.189 1.00 1.00 C ATOM 525 NH1 ARG A 40 11.480 -10.547 4.012 1.00 1.00 N ATOM 526 NH2 ARG A 40 12.257 -10.331 6.186 1.00 1.00 N ATOM 0 H ARG A 40 6.428 -6.552 4.466 1.00 1.00 H new ATOM 0 HA ARG A 40 6.609 -6.660 7.296 1.00 1.00 H new ATOM 0 HB2 ARG A 40 8.695 -7.797 6.904 1.00 1.00 H new ATOM 0 HB3 ARG A 40 7.571 -8.337 5.673 1.00 1.00 H new ATOM 0 HG2 ARG A 40 8.554 -6.503 4.147 1.00 1.00 H new ATOM 0 HG3 ARG A 40 9.807 -6.289 5.353 1.00 1.00 H new ATOM 0 HD2 ARG A 40 9.176 -8.961 4.011 1.00 1.00 H new ATOM 0 HD3 ARG A 40 10.440 -7.873 3.474 1.00 1.00 H new ATOM 0 HE ARG A 40 10.882 -8.266 6.252 1.00 1.00 H new ATOM 0 HH11 ARG A 40 10.904 -10.196 3.247 1.00 1.00 H new ATOM 0 HH12 ARG A 40 12.030 -11.397 3.888 1.00 1.00 H new ATOM 0 HH21 ARG A 40 12.278 -9.825 7.072 1.00 1.00 H new ATOM 0 HH22 ARG A 40 12.810 -11.180 6.071 1.00 1.00 H new ATOM 539 N ALA A 41 8.334 -4.955 7.998 1.00 1.00 N ATOM 540 CA ALA A 41 8.977 -3.741 8.470 1.00 1.00 C ATOM 541 C ALA A 41 10.362 -3.622 7.829 1.00 1.00 C ATOM 542 O ALA A 41 11.163 -4.553 7.895 1.00 1.00 O ATOM 543 CB ALA A 41 9.041 -3.758 9.999 1.00 1.00 C ATOM 0 H ALA A 41 8.194 -5.669 8.713 1.00 1.00 H new ATOM 0 HA ALA A 41 8.401 -2.863 8.178 1.00 1.00 H new ATOM 0 HB1 ALA A 41 9.524 -2.847 10.353 1.00 1.00 H new ATOM 0 HB2 ALA A 41 8.031 -3.815 10.405 1.00 1.00 H new ATOM 0 HB3 ALA A 41 9.614 -4.624 10.330 1.00 1.00 H new ATOM 549 N GLY A 42 10.602 -2.467 7.226 1.00 1.00 N ATOM 550 CA GLY A 42 11.902 -2.183 6.644 1.00 1.00 C ATOM 551 C GLY A 42 11.812 -2.087 5.120 1.00 1.00 C ATOM 552 O GLY A 42 12.687 -1.510 4.477 1.00 1.00 O ATOM 0 H GLY A 42 9.918 -1.717 7.128 1.00 1.00 H new ATOM 0 HA2 GLY A 42 12.289 -1.248 7.049 1.00 1.00 H new ATOM 0 HA3 GLY A 42 12.607 -2.966 6.921 1.00 1.00 H new ATOM 556 N LYS A 43 10.745 -2.663 4.585 1.00 1.00 N ATOM 557 CA LYS A 43 10.549 -2.686 3.145 1.00 1.00 C ATOM 558 C LYS A 43 10.208 -1.276 2.659 1.00 1.00 C ATOM 559 O LYS A 43 9.342 -0.612 3.227 1.00 1.00 O ATOM 560 CB LYS A 43 9.505 -3.738 2.763 1.00 1.00 C ATOM 561 CG LYS A 43 9.359 -3.837 1.243 1.00 1.00 C ATOM 562 CD LYS A 43 8.645 -5.131 0.846 1.00 1.00 C ATOM 563 CE LYS A 43 9.640 -6.284 0.702 1.00 1.00 C ATOM 564 NZ LYS A 43 8.926 -7.562 0.485 1.00 1.00 N ATOM 0 H LYS A 43 10.007 -3.117 5.123 1.00 1.00 H new ATOM 0 HA LYS A 43 11.468 -2.984 2.640 1.00 1.00 H new ATOM 0 HB2 LYS A 43 9.795 -4.707 3.168 1.00 1.00 H new ATOM 0 HB3 LYS A 43 8.544 -3.481 3.208 1.00 1.00 H new ATOM 0 HG2 LYS A 43 8.799 -2.979 0.871 1.00 1.00 H new ATOM 0 HG3 LYS A 43 10.343 -3.802 0.776 1.00 1.00 H new ATOM 0 HD2 LYS A 43 7.897 -5.383 1.598 1.00 1.00 H new ATOM 0 HD3 LYS A 43 8.115 -4.984 -0.095 1.00 1.00 H new ATOM 0 HE2 LYS A 43 10.312 -6.090 -0.134 1.00 1.00 H new ATOM 0 HE3 LYS A 43 10.257 -6.353 1.598 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 9.617 -8.334 0.389 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 8.303 -7.753 1.295 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 8.356 -7.498 -0.383 1.00 1.00 H new ATOM 577 N ILE A 44 10.906 -0.860 1.613 1.00 1.00 N ATOM 578 CA ILE A 44 10.799 0.509 1.138 1.00 1.00 C ATOM 579 C ILE A 44 9.406 0.731 0.546 1.00 1.00 C ATOM 580 O ILE A 44 9.011 0.044 -0.394 1.00 1.00 O ATOM 581 CB ILE A 44 11.937 0.830 0.168 1.00 1.00 C ATOM 582 CG1 ILE A 44 13.198 1.258 0.923 1.00 1.00 C ATOM 583 CG2 ILE A 44 11.503 1.876 -0.861 1.00 1.00 C ATOM 584 CD1 ILE A 44 13.884 0.055 1.573 1.00 1.00 C ATOM 0 H ILE A 44 11.548 -1.447 1.081 1.00 1.00 H new ATOM 0 HA ILE A 44 10.910 1.209 1.966 1.00 1.00 H new ATOM 0 HB ILE A 44 12.183 -0.079 -0.381 1.00 1.00 H new ATOM 0 HG12 ILE A 44 13.889 1.747 0.236 1.00 1.00 H new ATOM 0 HG13 ILE A 44 12.937 1.989 1.688 1.00 1.00 H new ATOM 0 HG21 ILE A 44 12.331 2.086 -1.538 1.00 1.00 H new ATOM 0 HG22 ILE A 44 10.655 1.496 -1.431 1.00 1.00 H new ATOM 0 HG23 ILE A 44 11.213 2.793 -0.348 1.00 1.00 H new ATOM 0 HD11 ILE A 44 14.777 0.388 2.103 1.00 1.00 H new ATOM 0 HD12 ILE A 44 13.199 -0.418 2.277 1.00 1.00 H new ATOM 0 HD13 ILE A 44 14.165 -0.663 0.803 1.00 1.00 H new ATOM 596 N CYS A 45 8.701 1.694 1.121 1.00 1.00 N ATOM 597 CA CYS A 45 7.309 1.918 0.765 1.00 1.00 C ATOM 598 C CYS A 45 7.224 3.214 -0.044 1.00 1.00 C ATOM 599 O CYS A 45 6.196 3.504 -0.653 1.00 1.00 O ATOM 600 CB CYS A 45 6.407 1.956 1.999 1.00 1.00 C ATOM 601 SG CYS A 45 7.073 2.916 3.408 1.00 1.00 S ATOM 0 H CYS A 45 9.067 2.328 1.831 1.00 1.00 H new ATOM 0 HA CYS A 45 6.948 1.087 0.159 1.00 1.00 H new ATOM 0 HB2 CYS A 45 5.443 2.377 1.714 1.00 1.00 H new ATOM 0 HB3 CYS A 45 6.223 0.934 2.329 1.00 1.00 H new ATOM 606 N ARG A 46 8.319 3.961 -0.023 1.00 1.00 N ATOM 607 CA ARG A 46 8.436 5.141 -0.862 1.00 1.00 C ATOM 608 C ARG A 46 9.890 5.344 -1.293 1.00 1.00 C ATOM 609 O ARG A 46 10.806 5.203 -0.485 1.00 1.00 O ATOM 610 CB ARG A 46 7.951 6.391 -0.125 1.00 1.00 C ATOM 611 CG ARG A 46 7.564 7.494 -1.112 1.00 1.00 C ATOM 612 CD ARG A 46 7.012 8.718 -0.377 1.00 1.00 C ATOM 613 NE ARG A 46 5.676 8.412 0.183 1.00 1.00 N ATOM 614 CZ ARG A 46 5.402 8.367 1.503 1.00 1.00 C ATOM 615 NH1 ARG A 46 6.395 8.209 2.405 1.00 1.00 N ATOM 616 NH2 ARG A 46 4.147 8.480 1.900 1.00 1.00 N ATOM 0 H ARG A 46 9.133 3.771 0.562 1.00 1.00 H new ATOM 0 HA ARG A 46 7.811 4.986 -1.741 1.00 1.00 H new ATOM 0 HB2 ARG A 46 7.094 6.140 0.499 1.00 1.00 H new ATOM 0 HB3 ARG A 46 8.735 6.752 0.541 1.00 1.00 H new ATOM 0 HG2 ARG A 46 8.435 7.781 -1.702 1.00 1.00 H new ATOM 0 HG3 ARG A 46 6.817 7.117 -1.810 1.00 1.00 H new ATOM 0 HD2 ARG A 46 7.693 9.010 0.423 1.00 1.00 H new ATOM 0 HD3 ARG A 46 6.944 9.563 -1.062 1.00 1.00 H new ATOM 0 HE ARG A 46 4.915 8.223 -0.470 1.00 1.00 H new ATOM 0 HH11 ARG A 46 7.361 8.123 2.090 1.00 1.00 H new ATOM 0 HH12 ARG A 46 6.179 8.176 3.401 1.00 1.00 H new ATOM 0 HH21 ARG A 46 3.403 8.599 1.212 1.00 1.00 H new ATOM 0 HH22 ARG A 46 3.922 8.448 2.894 1.00 1.00 H new ATOM 629 N ILE A 47 10.056 5.671 -2.566 1.00 1.00 N ATOM 630 CA ILE A 47 11.381 5.911 -3.111 1.00 1.00 C ATOM 631 C ILE A 47 11.783 7.364 -2.844 1.00 1.00 C ATOM 632 O ILE A 47 10.991 8.280 -3.058 1.00 1.00 O ATOM 633 CB ILE A 47 11.433 5.521 -4.589 1.00 1.00 C ATOM 634 CG1 ILE A 47 11.085 4.043 -4.778 1.00 1.00 C ATOM 635 CG2 ILE A 47 12.789 5.874 -5.203 1.00 1.00 C ATOM 636 CD1 ILE A 47 9.705 3.882 -5.419 1.00 1.00 C ATOM 0 H ILE A 47 9.294 5.775 -3.236 1.00 1.00 H new ATOM 0 HA ILE A 47 12.116 5.279 -2.613 1.00 1.00 H new ATOM 0 HB ILE A 47 10.679 6.100 -5.122 1.00 1.00 H new ATOM 0 HG12 ILE A 47 11.839 3.566 -5.404 1.00 1.00 H new ATOM 0 HG13 ILE A 47 11.103 3.535 -3.814 1.00 1.00 H new ATOM 0 HG21 ILE A 47 12.798 5.586 -6.254 1.00 1.00 H new ATOM 0 HG22 ILE A 47 12.958 6.948 -5.119 1.00 1.00 H new ATOM 0 HG23 ILE A 47 13.578 5.340 -4.673 1.00 1.00 H new ATOM 0 HD11 ILE A 47 9.482 2.822 -5.542 1.00 1.00 H new ATOM 0 HD12 ILE A 47 8.951 4.339 -4.779 1.00 1.00 H new ATOM 0 HD13 ILE A 47 9.697 4.370 -6.394 1.00 1.00 H new ATOM 648 N PRO A 48 13.046 7.533 -2.368 1.00 1.00 N ATOM 649 CA PRO A 48 13.572 8.860 -2.099 1.00 1.00 C ATOM 650 C PRO A 48 13.928 9.583 -3.400 1.00 1.00 C ATOM 651 O PRO A 48 14.197 8.944 -4.417 1.00 1.00 O ATOM 652 CB PRO A 48 14.775 8.632 -1.200 1.00 1.00 C ATOM 653 CG PRO A 48 15.155 7.170 -1.375 1.00 1.00 C ATOM 654 CD PRO A 48 14.002 6.469 -2.075 1.00 1.00 C ATOM 0 HA PRO A 48 12.844 9.509 -1.612 1.00 1.00 H new ATOM 0 HB2 PRO A 48 15.601 9.286 -1.479 1.00 1.00 H new ATOM 0 HB3 PRO A 48 14.533 8.851 -0.160 1.00 1.00 H new ATOM 0 HG2 PRO A 48 16.069 7.081 -1.962 1.00 1.00 H new ATOM 0 HG3 PRO A 48 15.352 6.708 -0.407 1.00 1.00 H new ATOM 0 HD2 PRO A 48 14.335 5.973 -2.987 1.00 1.00 H new ATOM 0 HD3 PRO A 48 13.559 5.703 -1.439 1.00 1.00 H new ATOM 662 N ARG A 49 13.917 10.906 -3.327 1.00 1.00 N ATOM 663 CA ARG A 49 14.561 11.717 -4.346 1.00 1.00 C ATOM 664 C ARG A 49 15.360 12.849 -3.697 1.00 1.00 C ATOM 665 O ARG A 49 15.163 13.160 -2.525 1.00 1.00 O ATOM 666 CB ARG A 49 13.531 12.314 -5.307 1.00 1.00 C ATOM 667 CG ARG A 49 12.545 13.217 -4.562 1.00 1.00 C ATOM 668 CD ARG A 49 11.448 13.722 -5.501 1.00 1.00 C ATOM 669 NE ARG A 49 10.491 14.567 -4.752 1.00 1.00 N ATOM 670 CZ ARG A 49 9.534 14.081 -3.931 1.00 1.00 C ATOM 671 NH1 ARG A 49 9.389 12.750 -3.762 1.00 1.00 N ATOM 672 NH2 ARG A 49 8.744 14.928 -3.299 1.00 1.00 N ATOM 0 H ARG A 49 13.472 11.436 -2.578 1.00 1.00 H new ATOM 0 HA ARG A 49 15.234 11.070 -4.909 1.00 1.00 H new ATOM 0 HB2 ARG A 49 14.040 12.887 -6.082 1.00 1.00 H new ATOM 0 HB3 ARG A 49 12.988 11.512 -5.808 1.00 1.00 H new ATOM 0 HG2 ARG A 49 12.096 12.667 -3.735 1.00 1.00 H new ATOM 0 HG3 ARG A 49 13.077 14.064 -4.130 1.00 1.00 H new ATOM 0 HD2 ARG A 49 11.891 14.294 -6.316 1.00 1.00 H new ATOM 0 HD3 ARG A 49 10.926 12.878 -5.951 1.00 1.00 H new ATOM 0 HE ARG A 49 10.558 15.579 -4.862 1.00 1.00 H new ATOM 0 HH11 ARG A 49 10.004 12.103 -4.256 1.00 1.00 H new ATOM 0 HH12 ARG A 49 8.664 12.391 -3.141 1.00 1.00 H new ATOM 0 HH21 ARG A 49 8.861 15.932 -3.434 1.00 1.00 H new ATOM 0 HH22 ARG A 49 8.016 14.579 -2.676 1.00 1.00 H new ATOM 685 N GLY A 50 16.247 13.435 -4.490 1.00 1.00 N ATOM 686 CA GLY A 50 17.101 14.502 -3.998 1.00 1.00 C ATOM 687 C GLY A 50 18.190 13.952 -3.075 1.00 1.00 C ATOM 688 O GLY A 50 19.185 13.401 -3.544 1.00 1.00 O ATOM 0 H GLY A 50 16.392 13.190 -5.470 1.00 1.00 H new ATOM 0 HA2 GLY A 50 17.560 15.022 -4.839 1.00 1.00 H new ATOM 0 HA3 GLY A 50 16.500 15.235 -3.460 1.00 1.00 H new ATOM 692 N ASP A 51 17.964 14.119 -1.780 1.00 1.00 N ATOM 693 CA ASP A 51 18.812 13.485 -0.785 1.00 1.00 C ATOM 694 C ASP A 51 17.944 12.978 0.368 1.00 1.00 C ATOM 695 O ASP A 51 18.404 12.894 1.506 1.00 1.00 O ATOM 696 CB ASP A 51 19.827 14.477 -0.213 1.00 1.00 C ATOM 697 CG ASP A 51 20.987 13.842 0.557 1.00 1.00 C ATOM 698 OD1 ASP A 51 21.186 12.619 0.519 1.00 1.00 O ATOM 699 OD2 ASP A 51 21.713 14.670 1.228 1.00 1.00 O ATOM 0 H ASP A 51 17.206 14.684 -1.397 1.00 1.00 H new ATOM 0 HA ASP A 51 19.343 12.665 -1.267 1.00 1.00 H new ATOM 0 HB2 ASP A 51 20.235 15.069 -1.032 1.00 1.00 H new ATOM 0 HB3 ASP A 51 19.305 15.167 0.450 1.00 1.00 H new ATOM 704 N MET A 52 16.704 12.652 0.034 1.00 1.00 N ATOM 705 CA MET A 52 15.784 12.106 1.018 1.00 1.00 C ATOM 706 C MET A 52 16.218 10.707 1.458 1.00 1.00 C ATOM 707 O MET A 52 16.880 9.994 0.706 1.00 1.00 O ATOM 708 CB MET A 52 14.377 12.039 0.419 1.00 1.00 C ATOM 709 CG MET A 52 13.742 13.430 0.354 1.00 1.00 C ATOM 710 SD MET A 52 12.278 13.385 -0.665 1.00 1.00 S ATOM 711 CE MET A 52 11.211 12.394 0.368 1.00 1.00 C ATOM 0 H MET A 52 16.315 12.755 -0.903 1.00 1.00 H new ATOM 0 HA MET A 52 15.787 12.758 1.891 1.00 1.00 H new ATOM 0 HB2 MET A 52 14.424 11.610 -0.582 1.00 1.00 H new ATOM 0 HB3 MET A 52 13.753 11.378 1.020 1.00 1.00 H new ATOM 0 HG2 MET A 52 13.486 13.769 1.358 1.00 1.00 H new ATOM 0 HG3 MET A 52 14.456 14.146 -0.052 1.00 1.00 H new ATOM 0 HE1 MET A 52 10.182 12.484 0.020 1.00 1.00 H new ATOM 0 HE2 MET A 52 11.521 11.350 0.316 1.00 1.00 H new ATOM 0 HE3 MET A 52 11.278 12.742 1.399 1.00 1.00 H new ATOM 721 N PRO A 53 15.817 10.346 2.707 1.00 1.00 N ATOM 722 CA PRO A 53 15.902 8.965 3.150 1.00 1.00 C ATOM 723 C PRO A 53 14.800 8.117 2.514 1.00 1.00 C ATOM 724 O PRO A 53 13.703 8.611 2.255 1.00 1.00 O ATOM 725 CB PRO A 53 15.800 9.033 4.665 1.00 1.00 C ATOM 726 CG PRO A 53 15.198 10.392 4.984 1.00 1.00 C ATOM 727 CD PRO A 53 15.275 11.241 3.725 1.00 1.00 C ATOM 0 HA PRO A 53 16.831 8.481 2.847 1.00 1.00 H new ATOM 0 HB2 PRO A 53 15.173 8.229 5.050 1.00 1.00 H new ATOM 0 HB3 PRO A 53 16.781 8.922 5.127 1.00 1.00 H new ATOM 0 HG2 PRO A 53 14.163 10.285 5.310 1.00 1.00 H new ATOM 0 HG3 PRO A 53 15.741 10.869 5.800 1.00 1.00 H new ATOM 0 HD2 PRO A 53 14.292 11.616 3.440 1.00 1.00 H new ATOM 0 HD3 PRO A 53 15.917 12.109 3.872 1.00 1.00 H new ATOM 735 N ASP A 54 15.128 6.855 2.282 1.00 1.00 N ATOM 736 CA ASP A 54 14.131 5.889 1.855 1.00 1.00 C ATOM 737 C ASP A 54 13.155 5.628 3.002 1.00 1.00 C ATOM 738 O ASP A 54 13.565 5.245 4.097 1.00 1.00 O ATOM 739 CB ASP A 54 14.781 4.556 1.476 1.00 1.00 C ATOM 740 CG ASP A 54 15.813 4.032 2.478 1.00 1.00 C ATOM 741 OD1 ASP A 54 16.541 4.812 3.111 1.00 1.00 O ATOM 742 OD2 ASP A 54 15.854 2.749 2.598 1.00 1.00 O ATOM 0 H ASP A 54 16.071 6.479 2.382 1.00 1.00 H new ATOM 0 HA ASP A 54 13.616 6.299 0.986 1.00 1.00 H new ATOM 0 HB2 ASP A 54 13.998 3.807 1.359 1.00 1.00 H new ATOM 0 HB3 ASP A 54 15.263 4.667 0.505 1.00 1.00 H new ATOM 747 N ASP A 55 11.880 5.846 2.714 1.00 1.00 N ATOM 748 CA ASP A 55 10.842 5.651 3.713 1.00 1.00 C ATOM 749 C ASP A 55 10.410 4.184 3.714 1.00 1.00 C ATOM 750 O ASP A 55 10.241 3.582 2.655 1.00 1.00 O ATOM 751 CB ASP A 55 9.612 6.507 3.403 1.00 1.00 C ATOM 752 CG ASP A 55 9.914 7.954 3.007 1.00 1.00 C ATOM 753 OD1 ASP A 55 10.557 8.214 1.980 1.00 1.00 O ATOM 754 OD2 ASP A 55 9.452 8.847 3.815 1.00 1.00 O ATOM 0 H ASP A 55 11.542 6.156 1.803 1.00 1.00 H new ATOM 0 HA ASP A 55 11.248 5.941 4.682 1.00 1.00 H new ATOM 0 HB2 ASP A 55 9.053 6.034 2.595 1.00 1.00 H new ATOM 0 HB3 ASP A 55 8.963 6.514 4.278 1.00 1.00 H new ATOM 759 N ARG A 56 10.242 3.651 4.916 1.00 1.00 N ATOM 760 CA ARG A 56 10.175 2.210 5.093 1.00 1.00 C ATOM 761 C ARG A 56 8.890 1.826 5.830 1.00 1.00 C ATOM 762 O ARG A 56 8.362 2.612 6.614 1.00 1.00 O ATOM 763 CB ARG A 56 11.381 1.694 5.879 1.00 1.00 C ATOM 764 CG ARG A 56 12.676 1.891 5.089 1.00 1.00 C ATOM 765 CD ARG A 56 13.901 1.660 5.977 1.00 1.00 C ATOM 766 NE ARG A 56 15.137 1.755 5.170 1.00 1.00 N ATOM 767 CZ ARG A 56 16.384 1.664 5.679 1.00 1.00 C ATOM 768 NH1 ARG A 56 16.570 1.470 7.003 1.00 1.00 N ATOM 769 NH2 ARG A 56 17.417 1.767 4.866 1.00 1.00 N ATOM 0 H ARG A 56 10.150 4.191 5.776 1.00 1.00 H new ATOM 0 HA ARG A 56 10.181 1.753 4.103 1.00 1.00 H new ATOM 0 HB2 ARG A 56 11.449 2.218 6.832 1.00 1.00 H new ATOM 0 HB3 ARG A 56 11.246 0.636 6.105 1.00 1.00 H new ATOM 0 HG2 ARG A 56 12.699 1.202 4.245 1.00 1.00 H new ATOM 0 HG3 ARG A 56 12.705 2.900 4.678 1.00 1.00 H new ATOM 0 HD2 ARG A 56 13.923 2.398 6.779 1.00 1.00 H new ATOM 0 HD3 ARG A 56 13.839 0.679 6.448 1.00 1.00 H new ATOM 0 HE ARG A 56 15.041 1.898 4.165 1.00 1.00 H new ATOM 0 HH11 ARG A 56 15.765 1.391 7.625 1.00 1.00 H new ATOM 0 HH12 ARG A 56 17.515 1.402 7.381 1.00 1.00 H new ATOM 0 HH21 ARG A 56 17.268 1.913 3.868 1.00 1.00 H new ATOM 0 HH22 ARG A 56 18.365 1.700 5.235 1.00 1.00 H new ATOM 782 N CYS A 57 8.426 0.617 5.553 1.00 1.00 N ATOM 783 CA CYS A 57 7.315 0.052 6.301 1.00 1.00 C ATOM 784 C CYS A 57 7.734 -0.062 7.769 1.00 1.00 C ATOM 785 O CYS A 57 8.866 -0.439 8.068 1.00 1.00 O ATOM 786 CB CYS A 57 6.874 -1.296 5.727 1.00 1.00 C ATOM 787 SG CYS A 57 5.765 -1.186 4.275 1.00 1.00 S ATOM 0 H CYS A 57 8.799 0.012 4.821 1.00 1.00 H new ATOM 0 HA CYS A 57 6.448 0.708 6.221 1.00 1.00 H new ATOM 0 HB2 CYS A 57 7.761 -1.863 5.447 1.00 1.00 H new ATOM 0 HB3 CYS A 57 6.369 -1.861 6.510 1.00 1.00 H new ATOM 792 N THR A 58 6.797 0.271 8.644 1.00 1.00 N ATOM 793 CA THR A 58 7.004 0.077 10.070 1.00 1.00 C ATOM 794 C THR A 58 6.510 -1.305 10.498 1.00 1.00 C ATOM 795 O THR A 58 6.938 -1.831 11.525 1.00 1.00 O ATOM 796 CB THR A 58 6.311 1.225 10.807 1.00 1.00 C ATOM 797 OG1 THR A 58 5.024 1.301 10.201 1.00 1.00 O ATOM 798 CG2 THR A 58 6.947 2.584 10.504 1.00 1.00 C ATOM 0 H THR A 58 5.894 0.673 8.394 1.00 1.00 H new ATOM 0 HA THR A 58 8.064 0.100 10.323 1.00 1.00 H new ATOM 0 HB THR A 58 6.345 1.040 11.881 1.00 1.00 H new ATOM 0 HG1 THR A 58 4.507 2.020 10.621 1.00 1.00 H new ATOM 0 HG21 THR A 58 6.418 3.364 11.052 1.00 1.00 H new ATOM 0 HG22 THR A 58 7.993 2.572 10.809 1.00 1.00 H new ATOM 0 HG23 THR A 58 6.884 2.785 9.435 1.00 1.00 H new ATOM 806 N GLY A 59 5.616 -1.856 9.690 1.00 1.00 N ATOM 807 CA GLY A 59 4.883 -3.046 10.085 1.00 1.00 C ATOM 808 C GLY A 59 3.755 -2.696 11.060 1.00 1.00 C ATOM 809 O GLY A 59 3.158 -3.583 11.666 1.00 1.00 O ATOM 0 H GLY A 59 5.383 -1.500 8.763 1.00 1.00 H new ATOM 0 HA2 GLY A 59 4.468 -3.532 9.202 1.00 1.00 H new ATOM 0 HA3 GLY A 59 5.563 -3.759 10.551 1.00 1.00 H new ATOM 813 N GLN A 60 3.500 -1.402 11.179 1.00 1.00 N ATOM 814 CA GLN A 60 2.469 -0.923 12.083 1.00 1.00 C ATOM 815 C GLN A 60 1.592 0.119 11.387 1.00 1.00 C ATOM 816 O GLN A 60 0.890 0.884 12.044 1.00 1.00 O ATOM 817 CB GLN A 60 3.085 -0.353 13.364 1.00 1.00 C ATOM 818 CG GLN A 60 3.597 -1.474 14.271 1.00 1.00 C ATOM 819 CD GLN A 60 2.434 -2.254 14.888 1.00 1.00 C ATOM 820 OE1 GLN A 60 1.791 -1.819 15.829 1.00 1.00 O ATOM 821 NE2 GLN A 60 2.203 -3.428 14.308 1.00 1.00 N ATOM 0 H GLN A 60 3.990 -0.670 10.664 1.00 1.00 H new ATOM 0 HA GLN A 60 1.840 -1.768 12.364 1.00 1.00 H new ATOM 0 HB2 GLN A 60 3.906 0.318 13.110 1.00 1.00 H new ATOM 0 HB3 GLN A 60 2.342 0.240 13.897 1.00 1.00 H new ATOM 0 HG2 GLN A 60 4.230 -2.151 13.697 1.00 1.00 H new ATOM 0 HG3 GLN A 60 4.217 -1.052 15.062 1.00 1.00 H new ATOM 0 HE21 GLN A 60 2.780 -3.732 13.524 1.00 1.00 H new ATOM 0 HE22 GLN A 60 1.449 -4.025 14.648 1.00 1.00 H new ATOM 830 N SER A 61 1.663 0.114 10.063 1.00 1.00 N ATOM 831 CA SER A 61 0.905 1.068 9.270 1.00 1.00 C ATOM 832 C SER A 61 0.655 0.503 7.871 1.00 1.00 C ATOM 833 O SER A 61 1.532 -0.134 7.289 1.00 1.00 O ATOM 834 CB SER A 61 1.635 2.410 9.179 1.00 1.00 C ATOM 835 OG SER A 61 0.913 3.358 8.398 1.00 1.00 O ATOM 0 H SER A 61 2.233 -0.535 9.520 1.00 1.00 H new ATOM 0 HA SER A 61 -0.053 1.239 9.762 1.00 1.00 H new ATOM 0 HB2 SER A 61 1.788 2.808 10.182 1.00 1.00 H new ATOM 0 HB3 SER A 61 2.622 2.257 8.742 1.00 1.00 H new ATOM 0 HG SER A 61 1.500 3.726 7.705 1.00 1.00 H new ATOM 841 N ALA A 62 -0.545 0.757 7.370 1.00 1.00 N ATOM 842 CA ALA A 62 -0.890 0.360 6.016 1.00 1.00 C ATOM 843 C ALA A 62 -0.312 1.375 5.028 1.00 1.00 C ATOM 844 O ALA A 62 -0.128 1.066 3.852 1.00 1.00 O ATOM 845 CB ALA A 62 -2.410 0.228 5.894 1.00 1.00 C ATOM 0 H ALA A 62 -1.291 1.233 7.878 1.00 1.00 H new ATOM 0 HA ALA A 62 -0.458 -0.612 5.780 1.00 1.00 H new ATOM 0 HB1 ALA A 62 -2.669 -0.070 4.878 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -2.767 -0.526 6.595 1.00 1.00 H new ATOM 0 HB3 ALA A 62 -2.878 1.186 6.122 1.00 1.00 H new ATOM 851 N ASP A 63 -0.043 2.567 5.542 1.00 1.00 N ATOM 852 CA ASP A 63 0.485 3.637 4.714 1.00 1.00 C ATOM 853 C ASP A 63 1.939 3.909 5.105 1.00 1.00 C ATOM 854 O ASP A 63 2.358 3.585 6.215 1.00 1.00 O ATOM 855 CB ASP A 63 -0.307 4.930 4.914 1.00 1.00 C ATOM 856 CG ASP A 63 0.116 6.094 4.016 1.00 1.00 C ATOM 857 OD1 ASP A 63 0.697 5.750 2.916 1.00 1.00 O ATOM 858 OD2 ASP A 63 -0.100 7.269 4.349 1.00 1.00 O ATOM 0 H ASP A 63 -0.181 2.815 6.522 1.00 1.00 H new ATOM 0 HA ASP A 63 0.410 3.325 3.672 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -1.363 4.722 4.740 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -0.210 5.240 5.954 1.00 1.00 H new ATOM 863 N CYS A 64 2.669 4.500 4.170 1.00 1.00 N ATOM 864 CA CYS A 64 4.069 4.811 4.400 1.00 1.00 C ATOM 865 C CYS A 64 4.146 6.057 5.283 1.00 1.00 C ATOM 866 O CYS A 64 3.689 7.131 4.890 1.00 1.00 O ATOM 867 CB CYS A 64 4.831 4.995 3.085 1.00 1.00 C ATOM 868 SG CYS A 64 6.646 4.811 3.218 1.00 1.00 S ATOM 0 H CYS A 64 2.317 4.771 3.252 1.00 1.00 H new ATOM 0 HA CYS A 64 4.550 3.976 4.909 1.00 1.00 H new ATOM 0 HB2 CYS A 64 4.459 4.270 2.361 1.00 1.00 H new ATOM 0 HB3 CYS A 64 4.608 5.985 2.688 1.00 1.00 H new ATOM 873 N PRO A 65 4.744 5.872 6.490 1.00 1.00 N ATOM 874 CA PRO A 65 4.880 6.966 7.435 1.00 1.00 C ATOM 875 C PRO A 65 5.984 7.933 7.000 1.00 1.00 C ATOM 876 O PRO A 65 5.700 9.030 6.521 1.00 1.00 O ATOM 877 CB PRO A 65 5.167 6.301 8.771 1.00 1.00 C ATOM 878 CG PRO A 65 5.641 4.894 8.442 1.00 1.00 C ATOM 879 CD PRO A 65 5.304 4.617 6.986 1.00 1.00 C ATOM 0 HA PRO A 65 3.982 7.581 7.496 1.00 1.00 H new ATOM 0 HB2 PRO A 65 5.928 6.850 9.325 1.00 1.00 H new ATOM 0 HB3 PRO A 65 4.274 6.276 9.395 1.00 1.00 H new ATOM 0 HG2 PRO A 65 6.714 4.804 8.609 1.00 1.00 H new ATOM 0 HG3 PRO A 65 5.155 4.166 9.091 1.00 1.00 H new ATOM 0 HD2 PRO A 65 6.191 4.329 6.422 1.00 1.00 H new ATOM 0 HD3 PRO A 65 4.588 3.800 6.894 1.00 1.00 H new ATOM 887 N ARG A 66 7.220 7.490 7.181 1.00 1.00 N ATOM 888 CA ARG A 66 8.362 8.370 7.010 1.00 1.00 C ATOM 889 C ARG A 66 9.663 7.565 7.048 1.00 1.00 C ATOM 890 O ARG A 66 10.512 7.708 6.170 1.00 1.00 O ATOM 891 CB ARG A 66 8.401 9.441 8.102 1.00 1.00 C ATOM 892 CG ARG A 66 9.361 10.572 7.728 1.00 1.00 C ATOM 893 CD ARG A 66 9.810 11.344 8.969 1.00 1.00 C ATOM 894 NE ARG A 66 10.706 10.501 9.793 1.00 1.00 N ATOM 895 CZ ARG A 66 12.021 10.326 9.543 1.00 1.00 C ATOM 896 NH1 ARG A 66 12.588 10.868 8.444 1.00 1.00 N ATOM 897 NH2 ARG A 66 12.745 9.617 10.390 1.00 1.00 N ATOM 0 H ARG A 66 7.455 6.533 7.444 1.00 1.00 H new ATOM 0 HA ARG A 66 8.261 8.859 6.041 1.00 1.00 H new ATOM 0 HB2 ARG A 66 7.400 9.845 8.256 1.00 1.00 H new ATOM 0 HB3 ARG A 66 8.712 8.992 9.045 1.00 1.00 H new ATOM 0 HG2 ARG A 66 10.231 10.161 7.217 1.00 1.00 H new ATOM 0 HG3 ARG A 66 8.873 11.252 7.030 1.00 1.00 H new ATOM 0 HD2 ARG A 66 10.327 12.257 8.672 1.00 1.00 H new ATOM 0 HD3 ARG A 66 8.941 11.646 9.554 1.00 1.00 H new ATOM 0 HE ARG A 66 10.305 10.023 10.600 1.00 1.00 H new ATOM 0 HH11 ARG A 66 12.022 11.415 7.795 1.00 1.00 H new ATOM 0 HH12 ARG A 66 13.582 10.731 8.263 1.00 1.00 H new ATOM 0 HH21 ARG A 66 12.309 9.211 11.218 1.00 1.00 H new ATOM 0 HH22 ARG A 66 13.740 9.475 10.216 1.00 1.00 H new ATOM 910 N TYR A 67 9.778 6.736 8.076 1.00 1.00 N ATOM 911 CA TYR A 67 10.914 5.836 8.188 1.00 1.00 C ATOM 912 C TYR A 67 10.607 4.683 9.144 1.00 1.00 C ATOM 913 O TYR A 67 9.590 4.698 9.835 1.00 1.00 O ATOM 914 CB TYR A 67 12.058 6.673 8.766 1.00 1.00 C ATOM 915 CG TYR A 67 13.434 6.017 8.638 1.00 1.00 C ATOM 916 CD1 TYR A 67 14.015 5.869 7.394 1.00 1.00 C ATOM 917 CD2 TYR A 67 14.095 5.573 9.765 1.00 1.00 C ATOM 918 CE1 TYR A 67 15.310 5.251 7.274 1.00 1.00 C ATOM 919 CE2 TYR A 67 15.390 4.956 9.644 1.00 1.00 C ATOM 920 CZ TYR A 67 15.934 4.825 8.404 1.00 1.00 C ATOM 921 OH TYR A 67 17.158 4.242 8.291 1.00 1.00 O ATOM 0 H TYR A 67 9.104 6.669 8.838 1.00 1.00 H new ATOM 0 HA TYR A 67 11.160 5.404 7.218 1.00 1.00 H new ATOM 0 HB2 TYR A 67 12.079 7.639 8.261 1.00 1.00 H new ATOM 0 HB3 TYR A 67 11.856 6.868 9.819 1.00 1.00 H new ATOM 0 HD1 TYR A 67 13.498 6.217 6.512 1.00 1.00 H new ATOM 0 HD2 TYR A 67 13.641 5.688 10.738 1.00 1.00 H new ATOM 0 HE1 TYR A 67 15.775 5.129 6.307 1.00 1.00 H new ATOM 0 HE2 TYR A 67 15.918 4.605 10.518 1.00 1.00 H new ATOM 0 HH TYR A 67 17.483 3.989 9.180 1.00 1.00 H new ATOM 931 N HIS A 68 11.506 3.709 9.153 1.00 1.00 N ATOM 932 CA HIS A 68 11.368 2.572 10.048 1.00 1.00 C ATOM 933 C HIS A 68 11.369 3.058 11.499 1.00 1.00 C ATOM 934 O HIS A 68 10.415 2.694 12.219 1.00 1.00 O ATOM 935 CB HIS A 68 12.453 1.529 9.770 1.00 1.00 C ATOM 936 CG HIS A 68 12.427 0.351 10.715 1.00 1.00 C ATOM 937 ND1 HIS A 68 11.661 -0.778 10.484 1.00 1.00 N ATOM 938 CD2 HIS A 68 13.081 0.138 11.893 1.00 1.00 C ATOM 939 CE1 HIS A 68 11.853 -1.625 11.484 1.00 1.00 C ATOM 940 NE2 HIS A 68 12.733 -1.055 12.357 1.00 1.00 N ATOM 941 OXT HIS A 68 12.324 3.781 11.855 1.00 1.00 O ATOM 0 H HIS A 68 12.332 3.684 8.555 1.00 1.00 H new ATOM 0 HA HIS A 68 10.414 2.076 9.869 1.00 1.00 H new ATOM 0 HB2 HIS A 68 12.340 1.165 8.749 1.00 1.00 H new ATOM 0 HB3 HIS A 68 13.429 2.010 9.831 1.00 1.00 H new ATOM 0 HD2 HIS A 68 13.766 0.825 12.368 1.00 1.00 H new ATOM 0 HE1 HIS A 68 11.393 -2.597 11.590 1.00 1.00 H new ATOM 0 HE2 HIS A 68 13.068 -1.477 13.223 1.00 1.00 H new TER 949 HIS A 68