USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 286 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.58 K(o=-0.58,f=-5.3!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.488 USER MOD Single : A 13 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.3) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 143:sc= -0.134 (180deg=-0.806) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.587 K(o=-0.59,f=-2.7!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -5.92! C(o=-5.9!,f=-2.4!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.421 0.277 11.729 1.00 1.00 N ATOM 2 CA GLY A 1 4.228 -0.162 10.954 1.00 1.00 C ATOM 3 C GLY A 1 3.871 0.750 9.840 1.00 1.00 C ATOM 4 O GLY A 1 2.923 1.527 10.001 1.00 1.00 O ATOM 0 H1 GLY A 1 5.612 -0.406 12.490 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.245 0.330 11.097 1.00 1.00 H new ATOM 0 H3 GLY A 1 5.241 1.214 12.143 1.00 1.00 H new ATOM 0 HA2 GLY A 1 4.414 -1.158 10.551 1.00 1.00 H new ATOM 0 HA3 GLY A 1 3.377 -0.245 11.630 1.00 1.00 H new ATOM 7 N VAL A 2 4.586 0.708 8.699 1.00 1.00 N ATOM 8 CA VAL A 2 4.104 1.533 7.625 1.00 1.00 C ATOM 9 C VAL A 2 3.307 0.593 6.747 1.00 1.00 C ATOM 10 O VAL A 2 3.815 -0.126 5.887 1.00 1.00 O ATOM 11 CB VAL A 2 5.252 2.175 6.816 1.00 1.00 C ATOM 12 CG1 VAL A 2 5.827 3.367 7.565 1.00 1.00 C ATOM 13 CG2 VAL A 2 6.340 1.152 6.517 1.00 1.00 C ATOM 0 H VAL A 2 5.425 0.156 8.522 1.00 1.00 H new ATOM 0 HA VAL A 2 3.514 2.366 8.007 1.00 1.00 H new ATOM 0 HB VAL A 2 4.848 2.526 5.867 1.00 1.00 H new ATOM 0 HG11 VAL A 2 6.635 3.808 6.981 1.00 1.00 H new ATOM 0 HG12 VAL A 2 5.045 4.110 7.722 1.00 1.00 H new ATOM 0 HG13 VAL A 2 6.214 3.038 8.530 1.00 1.00 H new ATOM 0 HG21 VAL A 2 7.138 1.626 5.946 1.00 1.00 H new ATOM 0 HG22 VAL A 2 6.743 0.766 7.453 1.00 1.00 H new ATOM 0 HG23 VAL A 2 5.918 0.331 5.937 1.00 1.00 H new ATOM 23 N GLU A 3 2.027 0.657 7.032 1.00 1.00 N ATOM 24 CA GLU A 3 0.960 -0.066 6.380 1.00 1.00 C ATOM 25 C GLU A 3 -0.252 0.778 6.573 1.00 1.00 C ATOM 26 O GLU A 3 -0.295 1.577 7.517 1.00 1.00 O ATOM 27 CB GLU A 3 0.767 -1.449 7.012 1.00 1.00 C ATOM 28 CG GLU A 3 0.757 -1.426 8.534 1.00 1.00 C ATOM 29 CD GLU A 3 0.611 -2.808 9.142 1.00 1.00 C ATOM 30 OE1 GLU A 3 -0.115 -2.940 10.151 1.00 1.00 O ATOM 31 OE2 GLU A 3 1.222 -3.759 8.611 1.00 1.00 O ATOM 0 H GLU A 3 1.680 1.259 7.779 1.00 1.00 H new ATOM 0 HA GLU A 3 1.173 -0.241 5.326 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -0.172 -1.874 6.657 1.00 1.00 H new ATOM 0 HB3 GLU A 3 1.565 -2.109 6.672 1.00 1.00 H new ATOM 0 HG2 GLU A 3 1.681 -0.972 8.892 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -0.062 -0.794 8.878 1.00 1.00 H new ATOM 38 N ILE A 4 -1.224 0.635 5.739 1.00 1.00 N ATOM 39 CA ILE A 4 -2.429 1.385 5.933 1.00 1.00 C ATOM 40 C ILE A 4 -3.587 0.457 5.664 1.00 1.00 C ATOM 41 O ILE A 4 -3.457 -0.412 4.797 1.00 1.00 O ATOM 42 CB ILE A 4 -2.520 2.635 5.013 1.00 1.00 C ATOM 43 CG1 ILE A 4 -1.729 2.437 3.690 1.00 1.00 C ATOM 44 CG2 ILE A 4 -2.031 3.871 5.757 1.00 1.00 C ATOM 45 CD1 ILE A 4 -0.224 2.483 3.862 1.00 1.00 C ATOM 0 H ILE A 4 -1.216 0.018 4.927 1.00 1.00 H new ATOM 0 HA ILE A 4 -2.446 1.763 6.955 1.00 1.00 H new ATOM 0 HB ILE A 4 -3.567 2.776 4.743 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -2.006 1.478 3.253 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -2.028 3.209 2.981 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -2.099 4.740 5.103 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -2.649 4.032 6.640 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -0.994 3.726 6.061 1.00 1.00 H new ATOM 0 HD11 ILE A 4 0.257 2.337 2.895 1.00 1.00 H new ATOM 0 HD12 ILE A 4 0.066 3.451 4.269 1.00 1.00 H new ATOM 0 HD13 ILE A 4 0.088 1.694 4.546 1.00 1.00 H new ATOM 57 N ASN A 5 -4.715 0.593 6.366 1.00 1.00 N ATOM 58 CA ASN A 5 -5.785 -0.332 6.071 1.00 1.00 C ATOM 59 C ASN A 5 -6.507 0.162 4.835 1.00 1.00 C ATOM 60 O ASN A 5 -7.223 1.163 4.854 1.00 1.00 O ATOM 61 CB ASN A 5 -6.753 -0.453 7.257 1.00 1.00 C ATOM 62 CG ASN A 5 -7.474 0.848 7.570 1.00 1.00 C ATOM 63 OD1 ASN A 5 -6.930 1.935 7.378 1.00 1.00 O ATOM 64 ND2 ASN A 5 -8.705 0.739 8.057 1.00 1.00 N ATOM 0 H ASN A 5 -4.896 1.287 7.091 1.00 1.00 H new ATOM 0 HA ASN A 5 -5.375 -1.326 5.892 1.00 1.00 H new ATOM 0 HB2 ASN A 5 -7.489 -1.227 7.040 1.00 1.00 H new ATOM 0 HB3 ASN A 5 -6.200 -0.777 8.139 1.00 1.00 H new ATOM 0 HD21 ASN A 5 -9.238 1.577 8.288 1.00 1.00 H new ATOM 0 HD22 ASN A 5 -9.117 -0.183 8.200 1.00 1.00 H new ATOM 71 N VAL A 6 -6.296 -0.581 3.761 1.00 1.00 N ATOM 72 CA VAL A 6 -6.902 -0.303 2.484 1.00 1.00 C ATOM 73 C VAL A 6 -7.284 -1.627 1.828 1.00 1.00 C ATOM 74 O VAL A 6 -6.579 -2.623 2.002 1.00 1.00 O ATOM 75 CB VAL A 6 -5.980 0.604 1.581 1.00 1.00 C ATOM 76 CG1 VAL A 6 -6.160 0.335 0.087 1.00 1.00 C ATOM 77 CG2 VAL A 6 -6.272 2.067 1.877 1.00 1.00 C ATOM 0 H VAL A 6 -5.691 -1.402 3.759 1.00 1.00 H new ATOM 0 HA VAL A 6 -7.811 0.282 2.624 1.00 1.00 H new ATOM 0 HB VAL A 6 -4.946 0.360 1.824 1.00 1.00 H new ATOM 0 HG11 VAL A 6 -5.500 0.989 -0.483 1.00 1.00 H new ATOM 0 HG12 VAL A 6 -5.914 -0.705 -0.128 1.00 1.00 H new ATOM 0 HG13 VAL A 6 -7.195 0.529 -0.196 1.00 1.00 H new ATOM 0 HG21 VAL A 6 -5.637 2.698 1.255 1.00 1.00 H new ATOM 0 HG22 VAL A 6 -7.319 2.280 1.660 1.00 1.00 H new ATOM 0 HG23 VAL A 6 -6.070 2.273 2.928 1.00 1.00 H new ATOM 87 N LYS A 7 -8.380 -1.655 1.086 1.00 1.00 N ATOM 88 CA LYS A 7 -8.775 -2.885 0.420 1.00 1.00 C ATOM 89 C LYS A 7 -7.914 -3.045 -0.826 1.00 1.00 C ATOM 90 O LYS A 7 -8.017 -2.256 -1.765 1.00 1.00 O ATOM 91 CB LYS A 7 -10.262 -2.844 0.046 1.00 1.00 C ATOM 92 CG LYS A 7 -10.945 -4.205 0.078 1.00 1.00 C ATOM 93 CD LYS A 7 -11.775 -4.396 1.346 1.00 1.00 C ATOM 94 CE LYS A 7 -12.671 -5.624 1.255 1.00 1.00 C ATOM 95 NZ LYS A 7 -14.087 -5.305 1.591 1.00 1.00 N ATOM 0 H LYS A 7 -8.999 -0.859 0.932 1.00 1.00 H new ATOM 0 HA LYS A 7 -8.629 -3.734 1.088 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -10.780 -2.172 0.730 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -10.364 -2.421 -0.953 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -11.588 -4.309 -0.796 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -10.192 -4.991 0.015 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -11.110 -4.494 2.204 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -12.388 -3.511 1.516 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -12.621 -6.036 0.247 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -12.302 -6.394 1.933 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -14.664 -6.167 1.517 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -14.139 -4.936 2.562 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -14.448 -4.589 0.929 1.00 1.00 H new ATOM 109 N CYS A 8 -7.065 -4.074 -0.836 1.00 1.00 N ATOM 110 CA CYS A 8 -6.173 -4.300 -1.969 1.00 1.00 C ATOM 111 C CYS A 8 -6.309 -5.703 -2.523 1.00 1.00 C ATOM 112 O CYS A 8 -6.732 -6.641 -1.845 1.00 1.00 O ATOM 113 CB CYS A 8 -4.678 -4.038 -1.594 1.00 1.00 C ATOM 114 SG CYS A 8 -3.772 -5.429 -0.815 1.00 1.00 S ATOM 0 H CYS A 8 -6.978 -4.755 -0.082 1.00 1.00 H new ATOM 0 HA CYS A 8 -6.474 -3.587 -2.737 1.00 1.00 H new ATOM 0 HB2 CYS A 8 -4.145 -3.749 -2.500 1.00 1.00 H new ATOM 0 HB3 CYS A 8 -4.641 -3.185 -0.916 1.00 1.00 H new ATOM 119 N SER A 9 -5.937 -5.803 -3.774 1.00 1.00 N ATOM 120 CA SER A 9 -5.922 -7.039 -4.501 1.00 1.00 C ATOM 121 C SER A 9 -4.705 -6.966 -5.400 1.00 1.00 C ATOM 122 O SER A 9 -4.590 -6.044 -6.203 1.00 1.00 O ATOM 123 CB SER A 9 -7.214 -7.139 -5.299 1.00 1.00 C ATOM 124 OG SER A 9 -7.858 -8.386 -5.089 1.00 1.00 O ATOM 0 H SER A 9 -5.629 -5.003 -4.326 1.00 1.00 H new ATOM 0 HA SER A 9 -5.864 -7.921 -3.863 1.00 1.00 H new ATOM 0 HB2 SER A 9 -7.884 -6.329 -5.012 1.00 1.00 H new ATOM 0 HB3 SER A 9 -6.999 -7.013 -6.360 1.00 1.00 H new ATOM 0 HG SER A 9 -8.685 -8.419 -5.613 1.00 1.00 H new ATOM 130 N GLY A 10 -3.822 -7.941 -5.320 1.00 1.00 N ATOM 131 CA GLY A 10 -2.608 -7.853 -6.100 1.00 1.00 C ATOM 132 C GLY A 10 -1.756 -6.679 -5.635 1.00 1.00 C ATOM 133 O GLY A 10 -2.232 -5.828 -4.887 1.00 1.00 O ATOM 0 H GLY A 10 -3.917 -8.777 -4.743 1.00 1.00 H new ATOM 0 HA2 GLY A 10 -2.042 -8.780 -6.007 1.00 1.00 H new ATOM 0 HA3 GLY A 10 -2.855 -7.735 -7.155 1.00 1.00 H new ATOM 137 N SER A 11 -0.511 -6.621 -6.079 1.00 1.00 N ATOM 138 CA SER A 11 0.405 -5.551 -5.677 1.00 1.00 C ATOM 139 C SER A 11 0.006 -4.145 -6.177 1.00 1.00 C ATOM 140 O SER A 11 0.027 -3.178 -5.404 1.00 1.00 O ATOM 141 CB SER A 11 1.822 -5.880 -6.146 1.00 1.00 C ATOM 142 OG SER A 11 1.815 -6.431 -7.453 1.00 1.00 O ATOM 0 H SER A 11 -0.105 -7.302 -6.720 1.00 1.00 H new ATOM 0 HA SER A 11 0.353 -5.508 -4.589 1.00 1.00 H new ATOM 0 HB2 SER A 11 2.431 -4.976 -6.133 1.00 1.00 H new ATOM 0 HB3 SER A 11 2.282 -6.585 -5.454 1.00 1.00 H new ATOM 0 HG SER A 11 2.734 -6.631 -7.729 1.00 1.00 H new ATOM 148 N PRO A 12 -0.371 -3.988 -7.457 1.00 1.00 N ATOM 149 CA PRO A 12 -0.714 -2.680 -8.035 1.00 1.00 C ATOM 150 C PRO A 12 -1.932 -1.995 -7.436 1.00 1.00 C ATOM 151 O PRO A 12 -2.027 -0.767 -7.470 1.00 1.00 O ATOM 152 CB PRO A 12 -0.916 -2.980 -9.487 1.00 1.00 C ATOM 153 CG PRO A 12 -1.500 -4.270 -9.338 1.00 1.00 C ATOM 154 CD PRO A 12 -0.557 -5.020 -8.465 1.00 1.00 C ATOM 0 HA PRO A 12 0.078 -1.960 -7.829 1.00 1.00 H new ATOM 0 HB2 PRO A 12 -1.576 -2.268 -9.982 1.00 1.00 H new ATOM 0 HB3 PRO A 12 0.016 -2.997 -10.052 1.00 1.00 H new ATOM 0 HG2 PRO A 12 -2.490 -4.206 -8.886 1.00 1.00 H new ATOM 0 HG3 PRO A 12 -1.621 -4.762 -10.303 1.00 1.00 H new ATOM 0 HD2 PRO A 12 -0.985 -5.938 -8.063 1.00 1.00 H new ATOM 0 HD3 PRO A 12 0.368 -5.295 -8.972 1.00 1.00 H new ATOM 162 N GLN A 13 -2.868 -2.766 -6.893 1.00 1.00 N ATOM 163 CA GLN A 13 -4.054 -2.172 -6.290 1.00 1.00 C ATOM 164 C GLN A 13 -3.662 -1.340 -5.077 1.00 1.00 C ATOM 165 O GLN A 13 -4.332 -0.364 -4.752 1.00 1.00 O ATOM 166 CB GLN A 13 -5.062 -3.235 -5.900 1.00 1.00 C ATOM 167 CG GLN A 13 -5.830 -3.800 -7.087 1.00 1.00 C ATOM 168 CD GLN A 13 -6.655 -2.750 -7.808 1.00 1.00 C ATOM 169 OE1 GLN A 13 -7.538 -2.123 -7.222 1.00 1.00 O ATOM 170 NE2 GLN A 13 -6.370 -2.554 -9.092 1.00 1.00 N ATOM 0 H GLN A 13 -2.831 -3.785 -6.858 1.00 1.00 H new ATOM 0 HA GLN A 13 -4.523 -1.523 -7.029 1.00 1.00 H new ATOM 0 HB2 GLN A 13 -4.544 -4.048 -5.391 1.00 1.00 H new ATOM 0 HB3 GLN A 13 -5.769 -2.811 -5.187 1.00 1.00 H new ATOM 0 HG2 GLN A 13 -5.127 -4.248 -7.789 1.00 1.00 H new ATOM 0 HG3 GLN A 13 -6.487 -4.598 -6.742 1.00 1.00 H new ATOM 0 HE21 GLN A 13 -5.630 -3.096 -9.539 1.00 1.00 H new ATOM 0 HE22 GLN A 13 -6.891 -1.862 -9.630 1.00 1.00 H new ATOM 179 N CYS A 14 -2.591 -1.755 -4.392 1.00 1.00 N ATOM 180 CA CYS A 14 -2.078 -1.012 -3.239 1.00 1.00 C ATOM 181 C CYS A 14 -1.177 0.124 -3.732 1.00 1.00 C ATOM 182 O CYS A 14 -0.959 1.118 -3.034 1.00 1.00 O ATOM 183 CB CYS A 14 -1.318 -1.929 -2.270 1.00 1.00 C ATOM 184 SG CYS A 14 -0.936 -1.169 -0.648 1.00 1.00 S ATOM 0 H CYS A 14 -2.065 -2.599 -4.616 1.00 1.00 H new ATOM 0 HA CYS A 14 -2.921 -0.595 -2.689 1.00 1.00 H new ATOM 0 HB2 CYS A 14 -1.908 -2.831 -2.105 1.00 1.00 H new ATOM 0 HB3 CYS A 14 -0.385 -2.240 -2.740 1.00 1.00 H new ATOM 189 N LEU A 15 -0.631 -0.030 -4.940 1.00 1.00 N ATOM 190 CA LEU A 15 0.187 1.022 -5.531 1.00 1.00 C ATOM 191 C LEU A 15 -0.643 2.302 -5.697 1.00 1.00 C ATOM 192 O LEU A 15 -0.117 3.411 -5.594 1.00 1.00 O ATOM 193 CB LEU A 15 0.739 0.575 -6.893 1.00 1.00 C ATOM 194 CG LEU A 15 2.209 0.143 -6.893 1.00 1.00 C ATOM 195 CD1 LEU A 15 2.548 -0.593 -8.180 1.00 1.00 C ATOM 196 CD2 LEU A 15 3.116 1.352 -6.715 1.00 1.00 C ATOM 0 H LEU A 15 -0.740 -0.863 -5.519 1.00 1.00 H new ATOM 0 HA LEU A 15 1.026 1.224 -4.865 1.00 1.00 H new ATOM 0 HB2 LEU A 15 0.133 -0.255 -7.258 1.00 1.00 H new ATOM 0 HB3 LEU A 15 0.618 1.394 -7.602 1.00 1.00 H new ATOM 0 HG LEU A 15 2.370 -0.537 -6.056 1.00 1.00 H new ATOM 0 HD11 LEU A 15 3.596 -0.892 -8.163 1.00 1.00 H new ATOM 0 HD12 LEU A 15 1.919 -1.479 -8.269 1.00 1.00 H new ATOM 0 HD13 LEU A 15 2.372 0.064 -9.032 1.00 1.00 H new ATOM 0 HD21 LEU A 15 4.157 1.029 -6.717 1.00 1.00 H new ATOM 0 HD22 LEU A 15 2.952 2.053 -7.533 1.00 1.00 H new ATOM 0 HD23 LEU A 15 2.889 1.840 -5.767 1.00 1.00 H new ATOM 208 N LYS A 16 -1.947 2.141 -5.956 1.00 1.00 N ATOM 209 CA LYS A 16 -2.834 3.289 -6.149 1.00 1.00 C ATOM 210 C LYS A 16 -3.033 4.101 -4.863 1.00 1.00 C ATOM 211 O LYS A 16 -2.818 5.313 -4.869 1.00 1.00 O ATOM 212 CB LYS A 16 -4.190 2.835 -6.709 1.00 1.00 C ATOM 213 CG LYS A 16 -4.544 3.485 -8.045 1.00 1.00 C ATOM 214 CD LYS A 16 -6.039 3.415 -8.327 1.00 1.00 C ATOM 215 CE LYS A 16 -6.445 4.383 -9.431 1.00 1.00 C ATOM 216 NZ LYS A 16 -7.582 3.860 -10.241 1.00 1.00 N ATOM 0 H LYS A 16 -2.406 1.234 -6.036 1.00 1.00 H new ATOM 0 HA LYS A 16 -2.349 3.946 -6.871 1.00 1.00 H new ATOM 0 HB2 LYS A 16 -4.179 1.752 -6.832 1.00 1.00 H new ATOM 0 HB3 LYS A 16 -4.970 3.066 -5.983 1.00 1.00 H new ATOM 0 HG2 LYS A 16 -4.223 4.527 -8.039 1.00 1.00 H new ATOM 0 HG3 LYS A 16 -3.999 2.988 -8.847 1.00 1.00 H new ATOM 0 HD2 LYS A 16 -6.309 2.399 -8.615 1.00 1.00 H new ATOM 0 HD3 LYS A 16 -6.593 3.646 -7.417 1.00 1.00 H new ATOM 0 HE2 LYS A 16 -6.724 5.340 -8.990 1.00 1.00 H new ATOM 0 HE3 LYS A 16 -5.591 4.569 -10.082 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 -7.827 4.549 -10.981 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 -7.308 2.960 -10.683 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 -8.406 3.706 -9.625 1.00 1.00 H new ATOM 230 N PRO A 17 -3.444 3.472 -3.740 1.00 1.00 N ATOM 231 CA PRO A 17 -3.614 4.204 -2.479 1.00 1.00 C ATOM 232 C PRO A 17 -2.323 4.933 -2.071 1.00 1.00 C ATOM 233 O PRO A 17 -2.351 6.089 -1.615 1.00 1.00 O ATOM 234 CB PRO A 17 -3.987 3.103 -1.456 1.00 1.00 C ATOM 235 CG PRO A 17 -3.726 1.800 -2.146 1.00 1.00 C ATOM 236 CD PRO A 17 -3.844 2.057 -3.620 1.00 1.00 C ATOM 0 HA PRO A 17 -4.372 4.984 -2.550 1.00 1.00 H new ATOM 0 HB2 PRO A 17 -3.388 3.192 -0.550 1.00 1.00 H new ATOM 0 HB3 PRO A 17 -5.032 3.185 -1.157 1.00 1.00 H new ATOM 0 HG2 PRO A 17 -2.734 1.423 -1.898 1.00 1.00 H new ATOM 0 HG3 PRO A 17 -4.443 1.044 -1.827 1.00 1.00 H new ATOM 0 HD2 PRO A 17 -3.192 1.402 -4.198 1.00 1.00 H new ATOM 0 HD3 PRO A 17 -4.860 1.892 -3.979 1.00 1.00 H new ATOM 244 N CYS A 18 -1.180 4.285 -2.293 1.00 1.00 N ATOM 245 CA CYS A 18 0.101 4.894 -1.950 1.00 1.00 C ATOM 246 C CYS A 18 0.440 6.029 -2.920 1.00 1.00 C ATOM 247 O CYS A 18 1.187 6.945 -2.574 1.00 1.00 O ATOM 248 CB CYS A 18 1.218 3.844 -1.933 1.00 1.00 C ATOM 249 SG CYS A 18 2.380 4.004 -0.528 1.00 1.00 S ATOM 0 H CYS A 18 -1.116 3.353 -2.702 1.00 1.00 H new ATOM 0 HA CYS A 18 0.017 5.316 -0.948 1.00 1.00 H new ATOM 0 HB2 CYS A 18 0.768 2.852 -1.906 1.00 1.00 H new ATOM 0 HB3 CYS A 18 1.780 3.913 -2.864 1.00 1.00 H new ATOM 254 N LYS A 19 -0.113 5.972 -4.136 1.00 1.00 N ATOM 255 CA LYS A 19 0.130 7.015 -5.133 1.00 1.00 C ATOM 256 C LYS A 19 -0.346 8.365 -4.612 1.00 1.00 C ATOM 257 O LYS A 19 0.386 9.356 -4.658 1.00 1.00 O ATOM 258 CB LYS A 19 -0.582 6.688 -6.449 1.00 1.00 C ATOM 259 CG LYS A 19 -0.332 7.714 -7.547 1.00 1.00 C ATOM 260 CD LYS A 19 -1.152 7.413 -8.793 1.00 1.00 C ATOM 261 CE LYS A 19 -0.717 8.273 -9.970 1.00 1.00 C ATOM 262 NZ LYS A 19 -1.346 9.623 -9.938 1.00 1.00 N ATOM 0 H LYS A 19 -0.727 5.220 -4.450 1.00 1.00 H new ATOM 0 HA LYS A 19 1.203 7.061 -5.320 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -0.254 5.708 -6.797 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -1.654 6.618 -6.265 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -0.581 8.709 -7.179 1.00 1.00 H new ATOM 0 HG3 LYS A 19 0.728 7.724 -7.802 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -1.047 6.360 -9.053 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -2.208 7.586 -8.585 1.00 1.00 H new ATOM 0 HE2 LYS A 19 0.368 8.378 -9.961 1.00 1.00 H new ATOM 0 HE3 LYS A 19 -0.981 7.772 -10.902 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -1.023 10.176 -10.757 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -2.381 9.525 -9.973 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -1.074 10.112 -9.061 1.00 1.00 H new ATOM 276 N ASP A 20 -1.581 8.399 -4.118 1.00 1.00 N ATOM 277 CA ASP A 20 -2.145 9.623 -3.570 1.00 1.00 C ATOM 278 C ASP A 20 -1.457 9.989 -2.256 1.00 1.00 C ATOM 279 O ASP A 20 -1.487 11.148 -1.838 1.00 1.00 O ATOM 280 CB ASP A 20 -3.655 9.479 -3.354 1.00 1.00 C ATOM 281 CG ASP A 20 -4.378 10.817 -3.356 1.00 1.00 C ATOM 282 OD1 ASP A 20 -5.581 10.844 -3.021 1.00 1.00 O ATOM 283 OD2 ASP A 20 -3.742 11.839 -3.694 1.00 1.00 O ATOM 0 H ASP A 20 -2.206 7.594 -4.087 1.00 1.00 H new ATOM 0 HA ASP A 20 -1.975 10.424 -4.289 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -4.071 8.845 -4.137 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -3.836 8.974 -2.405 1.00 1.00 H new ATOM 288 N ALA A 21 -0.827 9.001 -1.605 1.00 1.00 N ATOM 289 CA ALA A 21 -0.127 9.263 -0.348 1.00 1.00 C ATOM 290 C ALA A 21 1.239 9.939 -0.570 1.00 1.00 C ATOM 291 O ALA A 21 1.892 10.347 0.392 1.00 1.00 O ATOM 292 CB ALA A 21 0.051 7.966 0.426 1.00 1.00 C ATOM 0 H ALA A 21 -0.789 8.033 -1.923 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.740 9.955 0.229 1.00 1.00 H new ATOM 0 HB1 ALA A 21 0.573 8.169 1.361 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -0.926 7.534 0.642 1.00 1.00 H new ATOM 0 HB3 ALA A 21 0.634 7.264 -0.170 1.00 1.00 H new ATOM 298 N GLY A 22 1.669 10.063 -1.829 1.00 1.00 N ATOM 299 CA GLY A 22 2.933 10.728 -2.125 1.00 1.00 C ATOM 300 C GLY A 22 4.176 9.937 -1.734 1.00 1.00 C ATOM 301 O GLY A 22 5.263 10.508 -1.634 1.00 1.00 O ATOM 0 H GLY A 22 1.166 9.716 -2.646 1.00 1.00 H new ATOM 0 HA2 GLY A 22 2.975 10.940 -3.193 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.953 11.688 -1.609 1.00 1.00 H new ATOM 305 N MET A 23 4.032 8.633 -1.514 1.00 1.00 N ATOM 306 CA MET A 23 5.173 7.795 -1.136 1.00 1.00 C ATOM 307 C MET A 23 5.580 6.864 -2.282 1.00 1.00 C ATOM 308 O MET A 23 4.977 6.890 -3.354 1.00 1.00 O ATOM 309 CB MET A 23 4.838 6.982 0.115 1.00 1.00 C ATOM 310 CG MET A 23 5.255 7.665 1.409 1.00 1.00 C ATOM 311 SD MET A 23 4.542 9.311 1.591 1.00 1.00 S ATOM 312 CE MET A 23 5.990 10.337 1.347 1.00 1.00 C ATOM 0 H MET A 23 3.145 8.134 -1.589 1.00 1.00 H new ATOM 0 HA MET A 23 6.017 8.450 -0.919 1.00 1.00 H new ATOM 0 HB2 MET A 23 3.764 6.795 0.141 1.00 1.00 H new ATOM 0 HB3 MET A 23 5.329 6.011 0.051 1.00 1.00 H new ATOM 0 HG2 MET A 23 4.952 7.047 2.255 1.00 1.00 H new ATOM 0 HG3 MET A 23 6.342 7.739 1.441 1.00 1.00 H new ATOM 0 HE1 MET A 23 5.711 11.235 0.796 1.00 1.00 H new ATOM 0 HE2 MET A 23 6.403 10.619 2.315 1.00 1.00 H new ATOM 0 HE3 MET A 23 6.738 9.782 0.781 1.00 1.00 H new ATOM 322 N ARG A 24 6.611 6.045 -2.052 1.00 1.00 N ATOM 323 CA ARG A 24 7.094 5.111 -3.073 1.00 1.00 C ATOM 324 C ARG A 24 7.157 3.671 -2.541 1.00 1.00 C ATOM 325 O ARG A 24 7.348 3.451 -1.344 1.00 1.00 O ATOM 326 CB ARG A 24 8.485 5.539 -3.563 1.00 1.00 C ATOM 327 CG ARG A 24 8.511 6.890 -4.269 1.00 1.00 C ATOM 328 CD ARG A 24 9.897 7.209 -4.820 1.00 1.00 C ATOM 329 NE ARG A 24 9.993 8.578 -5.333 1.00 1.00 N ATOM 330 CZ ARG A 24 11.130 9.144 -5.749 1.00 1.00 C ATOM 331 NH1 ARG A 24 12.268 8.460 -5.739 1.00 1.00 N ATOM 332 NH2 ARG A 24 11.125 10.399 -6.181 1.00 1.00 N ATOM 0 H ARG A 24 7.125 6.010 -1.172 1.00 1.00 H new ATOM 0 HA ARG A 24 6.387 5.135 -3.902 1.00 1.00 H new ATOM 0 HB2 ARG A 24 9.163 5.574 -2.710 1.00 1.00 H new ATOM 0 HB3 ARG A 24 8.868 4.779 -4.244 1.00 1.00 H new ATOM 0 HG2 ARG A 24 7.786 6.890 -5.083 1.00 1.00 H new ATOM 0 HG3 ARG A 24 8.207 7.671 -3.572 1.00 1.00 H new ATOM 0 HD2 ARG A 24 10.639 7.065 -4.035 1.00 1.00 H new ATOM 0 HD3 ARG A 24 10.138 6.507 -5.618 1.00 1.00 H new ATOM 0 HE ARG A 24 9.139 9.134 -5.375 1.00 1.00 H new ATOM 0 HH11 ARG A 24 12.280 7.494 -5.412 1.00 1.00 H new ATOM 0 HH12 ARG A 24 13.131 8.901 -6.058 1.00 1.00 H new ATOM 0 HH21 ARG A 24 10.254 10.930 -6.195 1.00 1.00 H new ATOM 0 HH22 ARG A 24 11.992 10.832 -6.499 1.00 1.00 H new ATOM 346 N PHE A 25 7.011 2.699 -3.449 1.00 1.00 N ATOM 347 CA PHE A 25 7.062 1.269 -3.104 1.00 1.00 C ATOM 348 C PHE A 25 6.014 0.879 -2.053 1.00 1.00 C ATOM 349 O PHE A 25 5.614 1.694 -1.220 1.00 1.00 O ATOM 350 CB PHE A 25 8.463 0.894 -2.603 1.00 1.00 C ATOM 351 CG PHE A 25 9.561 1.124 -3.612 1.00 1.00 C ATOM 352 CD1 PHE A 25 9.973 0.102 -4.455 1.00 1.00 C ATOM 353 CD2 PHE A 25 10.184 2.359 -3.712 1.00 1.00 C ATOM 354 CE1 PHE A 25 10.985 0.308 -5.375 1.00 1.00 C ATOM 355 CE2 PHE A 25 11.195 2.571 -4.631 1.00 1.00 C ATOM 356 CZ PHE A 25 11.597 1.545 -5.464 1.00 1.00 C ATOM 0 H PHE A 25 6.855 2.878 -4.441 1.00 1.00 H new ATOM 0 HA PHE A 25 6.833 0.715 -4.014 1.00 1.00 H new ATOM 0 HB2 PHE A 25 8.683 1.472 -1.705 1.00 1.00 H new ATOM 0 HB3 PHE A 25 8.464 -0.157 -2.314 1.00 1.00 H new ATOM 0 HD1 PHE A 25 9.498 -0.866 -4.392 1.00 1.00 H new ATOM 0 HD2 PHE A 25 9.875 3.166 -3.064 1.00 1.00 H new ATOM 0 HE1 PHE A 25 11.297 -0.497 -6.024 1.00 1.00 H new ATOM 0 HE2 PHE A 25 11.670 3.539 -4.698 1.00 1.00 H new ATOM 0 HZ PHE A 25 12.387 1.708 -6.182 1.00 1.00 H new ATOM 366 N GLY A 26 5.580 -0.391 -2.100 1.00 1.00 N ATOM 367 CA GLY A 26 4.584 -0.888 -1.153 1.00 1.00 C ATOM 368 C GLY A 26 4.344 -2.392 -1.270 1.00 1.00 C ATOM 369 O GLY A 26 5.074 -3.090 -1.975 1.00 1.00 O ATOM 0 H GLY A 26 5.902 -1.081 -2.778 1.00 1.00 H new ATOM 0 HA2 GLY A 26 4.908 -0.656 -0.139 1.00 1.00 H new ATOM 0 HA3 GLY A 26 3.643 -0.362 -1.315 1.00 1.00 H new ATOM 373 N LYS A 27 3.315 -2.890 -0.570 1.00 1.00 N ATOM 374 CA LYS A 27 2.972 -4.319 -0.593 1.00 1.00 C ATOM 375 C LYS A 27 1.472 -4.528 -0.318 1.00 1.00 C ATOM 376 O LYS A 27 0.703 -3.567 -0.313 1.00 1.00 O ATOM 377 CB LYS A 27 3.821 -5.083 0.432 1.00 1.00 C ATOM 378 CG LYS A 27 4.783 -6.085 -0.201 1.00 1.00 C ATOM 379 CD LYS A 27 6.241 -5.765 0.118 1.00 1.00 C ATOM 380 CE LYS A 27 7.169 -6.879 -0.345 1.00 1.00 C ATOM 381 NZ LYS A 27 8.604 -6.508 -0.198 1.00 1.00 N ATOM 0 H LYS A 27 2.705 -2.324 0.020 1.00 1.00 H new ATOM 0 HA LYS A 27 3.189 -4.710 -1.587 1.00 1.00 H new ATOM 0 HB2 LYS A 27 4.392 -4.368 1.025 1.00 1.00 H new ATOM 0 HB3 LYS A 27 3.159 -5.611 1.119 1.00 1.00 H new ATOM 0 HG2 LYS A 27 4.547 -7.088 0.155 1.00 1.00 H new ATOM 0 HG3 LYS A 27 4.642 -6.089 -1.282 1.00 1.00 H new ATOM 0 HD2 LYS A 27 6.524 -4.830 -0.365 1.00 1.00 H new ATOM 0 HD3 LYS A 27 6.356 -5.617 1.192 1.00 1.00 H new ATOM 0 HE2 LYS A 27 6.967 -7.782 0.231 1.00 1.00 H new ATOM 0 HE3 LYS A 27 6.961 -7.114 -1.389 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 9.201 -7.294 -0.525 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 8.804 -5.662 -0.768 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 8.810 -6.309 0.802 1.00 1.00 H new ATOM 395 N CYS A 28 1.056 -5.782 -0.091 1.00 1.00 N ATOM 396 CA CYS A 28 -0.361 -6.082 0.166 1.00 1.00 C ATOM 397 C CYS A 28 -0.556 -7.008 1.377 1.00 1.00 C ATOM 398 O CYS A 28 0.408 -7.496 1.968 1.00 1.00 O ATOM 399 CB CYS A 28 -1.006 -6.716 -1.070 1.00 1.00 C ATOM 400 SG CYS A 28 -2.117 -5.598 -1.986 1.00 1.00 S ATOM 0 H CYS A 28 1.671 -6.596 -0.080 1.00 1.00 H new ATOM 0 HA CYS A 28 -0.846 -5.133 0.392 1.00 1.00 H new ATOM 0 HB2 CYS A 28 -0.219 -7.059 -1.742 1.00 1.00 H new ATOM 0 HB3 CYS A 28 -1.568 -7.597 -0.761 1.00 1.00 H new ATOM 405 N MET A 29 -1.827 -7.241 1.726 1.00 1.00 N ATOM 406 CA MET A 29 -2.194 -8.114 2.846 1.00 1.00 C ATOM 407 C MET A 29 -3.651 -8.574 2.717 1.00 1.00 C ATOM 408 O MET A 29 -4.463 -7.890 2.093 1.00 1.00 O ATOM 409 CB MET A 29 -1.974 -7.401 4.185 1.00 1.00 C ATOM 410 CG MET A 29 -1.127 -8.202 5.161 1.00 1.00 C ATOM 411 SD MET A 29 -2.103 -9.353 6.149 1.00 1.00 S ATOM 412 CE MET A 29 -1.164 -10.864 5.943 1.00 1.00 C ATOM 0 H MET A 29 -2.626 -6.832 1.242 1.00 1.00 H new ATOM 0 HA MET A 29 -1.550 -8.993 2.816 1.00 1.00 H new ATOM 0 HB2 MET A 29 -1.494 -6.440 4.002 1.00 1.00 H new ATOM 0 HB3 MET A 29 -2.942 -7.192 4.641 1.00 1.00 H new ATOM 0 HG2 MET A 29 -0.369 -8.757 4.608 1.00 1.00 H new ATOM 0 HG3 MET A 29 -0.599 -7.517 5.825 1.00 1.00 H new ATOM 0 HE1 MET A 29 -1.645 -11.670 6.498 1.00 1.00 H new ATOM 0 HE2 MET A 29 -1.123 -11.126 4.886 1.00 1.00 H new ATOM 0 HE3 MET A 29 -0.152 -10.718 6.320 1.00 1.00 H new ATOM 422 N ASN A 30 -3.975 -9.730 3.323 1.00 1.00 N ATOM 423 CA ASN A 30 -5.332 -10.315 3.278 1.00 1.00 C ATOM 424 C ASN A 30 -6.438 -9.252 3.308 1.00 1.00 C ATOM 425 O ASN A 30 -7.480 -9.411 2.671 1.00 1.00 O ATOM 426 CB ASN A 30 -5.523 -11.290 4.446 1.00 1.00 C ATOM 427 CG ASN A 30 -6.787 -12.123 4.315 1.00 1.00 C ATOM 428 OD1 ASN A 30 -7.798 -11.845 4.960 1.00 1.00 O ATOM 429 ND2 ASN A 30 -6.734 -13.153 3.478 1.00 1.00 N ATOM 0 H ASN A 30 -3.307 -10.286 3.857 1.00 1.00 H new ATOM 0 HA ASN A 30 -5.417 -10.844 2.329 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -4.660 -11.954 4.505 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -5.558 -10.729 5.380 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -7.552 -13.749 3.350 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -5.875 -13.348 2.963 1.00 1.00 H new ATOM 436 N ARG A 31 -6.206 -8.176 4.055 1.00 1.00 N ATOM 437 CA ARG A 31 -7.174 -7.083 4.147 1.00 1.00 C ATOM 438 C ARG A 31 -6.487 -5.756 4.528 1.00 1.00 C ATOM 439 O ARG A 31 -7.140 -4.836 5.019 1.00 1.00 O ATOM 440 CB ARG A 31 -8.263 -7.423 5.179 1.00 1.00 C ATOM 441 CG ARG A 31 -8.958 -8.762 4.934 1.00 1.00 C ATOM 442 CD ARG A 31 -10.140 -8.964 5.877 1.00 1.00 C ATOM 443 NE ARG A 31 -10.602 -10.355 5.903 1.00 1.00 N ATOM 444 CZ ARG A 31 -11.713 -10.765 6.523 1.00 1.00 C ATOM 445 NH1 ARG A 31 -12.484 -9.899 7.173 1.00 1.00 N ATOM 446 NH2 ARG A 31 -12.055 -12.047 6.492 1.00 1.00 N ATOM 0 H ARG A 31 -5.358 -8.036 4.605 1.00 1.00 H new ATOM 0 HA ARG A 31 -7.632 -6.959 3.166 1.00 1.00 H new ATOM 0 HB2 ARG A 31 -7.816 -7.434 6.173 1.00 1.00 H new ATOM 0 HB3 ARG A 31 -9.012 -6.631 5.175 1.00 1.00 H new ATOM 0 HG2 ARG A 31 -9.304 -8.809 3.901 1.00 1.00 H new ATOM 0 HG3 ARG A 31 -8.243 -9.573 5.068 1.00 1.00 H new ATOM 0 HD2 ARG A 31 -9.854 -8.660 6.884 1.00 1.00 H new ATOM 0 HD3 ARG A 31 -10.961 -8.317 5.570 1.00 1.00 H new ATOM 0 HE ARG A 31 -10.040 -11.054 5.417 1.00 1.00 H new ATOM 0 HH11 ARG A 31 -12.230 -8.912 7.202 1.00 1.00 H new ATOM 0 HH12 ARG A 31 -13.330 -10.222 7.643 1.00 1.00 H new ATOM 0 HH21 ARG A 31 -11.470 -12.719 5.995 1.00 1.00 H new ATOM 0 HH22 ARG A 31 -12.903 -12.360 6.965 1.00 1.00 H new ATOM 460 N LYS A 32 -5.168 -5.669 4.302 1.00 1.00 N ATOM 461 CA LYS A 32 -4.390 -4.467 4.648 1.00 1.00 C ATOM 462 C LYS A 32 -3.381 -4.090 3.548 1.00 1.00 C ATOM 463 O LYS A 32 -3.042 -4.912 2.696 1.00 1.00 O ATOM 464 CB LYS A 32 -3.666 -4.667 5.983 1.00 1.00 C ATOM 465 CG LYS A 32 -4.471 -4.201 7.188 1.00 1.00 C ATOM 466 CD LYS A 32 -4.182 -5.048 8.418 1.00 1.00 C ATOM 467 CE LYS A 32 -5.368 -5.070 9.372 1.00 1.00 C ATOM 468 NZ LYS A 32 -5.385 -6.294 10.224 1.00 1.00 N ATOM 0 H LYS A 32 -4.616 -6.416 3.881 1.00 1.00 H new ATOM 0 HA LYS A 32 -5.096 -3.641 4.740 1.00 1.00 H new ATOM 0 HB2 LYS A 32 -3.427 -5.724 6.103 1.00 1.00 H new ATOM 0 HB3 LYS A 32 -2.719 -4.127 5.958 1.00 1.00 H new ATOM 0 HG2 LYS A 32 -4.237 -3.158 7.401 1.00 1.00 H new ATOM 0 HG3 LYS A 32 -5.535 -4.248 6.955 1.00 1.00 H new ATOM 0 HD2 LYS A 32 -3.941 -6.066 8.112 1.00 1.00 H new ATOM 0 HD3 LYS A 32 -3.306 -4.655 8.934 1.00 1.00 H new ATOM 0 HE2 LYS A 32 -5.335 -4.186 10.009 1.00 1.00 H new ATOM 0 HE3 LYS A 32 -6.294 -5.016 8.799 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 -6.210 -6.265 10.857 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 -5.443 -7.138 9.619 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 -4.514 -6.334 10.791 1.00 1.00 H new ATOM 482 N CYS A 33 -2.909 -2.835 3.580 1.00 1.00 N ATOM 483 CA CYS A 33 -1.938 -2.330 2.593 1.00 1.00 C ATOM 484 C CYS A 33 -0.563 -2.110 3.238 1.00 1.00 C ATOM 485 O CYS A 33 -0.453 -1.983 4.457 1.00 1.00 O ATOM 486 CB CYS A 33 -2.385 -0.967 2.057 1.00 1.00 C ATOM 487 SG CYS A 33 -2.744 -0.937 0.259 1.00 1.00 S ATOM 0 H CYS A 33 -3.184 -2.147 4.281 1.00 1.00 H new ATOM 0 HA CYS A 33 -1.879 -3.073 1.797 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -3.278 -0.653 2.598 1.00 1.00 H new ATOM 0 HB3 CYS A 33 -1.608 -0.234 2.272 1.00 1.00 H new ATOM 492 N HIS A 34 0.481 -2.068 2.412 1.00 1.00 N ATOM 493 CA HIS A 34 1.836 -1.802 2.894 1.00 1.00 C ATOM 494 C HIS A 34 2.469 -0.637 2.113 1.00 1.00 C ATOM 495 O HIS A 34 2.566 -0.696 0.887 1.00 1.00 O ATOM 496 CB HIS A 34 2.702 -3.063 2.768 1.00 1.00 C ATOM 497 CG HIS A 34 3.289 -3.524 4.068 1.00 1.00 C ATOM 498 ND1 HIS A 34 4.320 -4.437 4.149 1.00 1.00 N ATOM 499 CD2 HIS A 34 2.986 -3.194 5.348 1.00 1.00 C ATOM 500 CE1 HIS A 34 4.625 -4.650 5.416 1.00 1.00 C ATOM 501 NE2 HIS A 34 3.830 -3.907 6.164 1.00 1.00 N ATOM 0 H HIS A 34 0.415 -2.215 1.405 1.00 1.00 H new ATOM 0 HA HIS A 34 1.780 -1.520 3.945 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.098 -3.867 2.347 1.00 1.00 H new ATOM 0 HB3 HIS A 34 3.510 -2.869 2.063 1.00 1.00 H new ATOM 0 HD2 HIS A 34 2.223 -2.499 5.667 1.00 1.00 H new ATOM 0 HE1 HIS A 34 5.393 -5.317 5.778 1.00 1.00 H new ATOM 0 HE2 HIS A 34 3.841 -3.869 7.183 1.00 1.00 H new ATOM 509 N CYS A 35 2.903 0.420 2.814 1.00 1.00 N ATOM 510 CA CYS A 35 3.549 1.561 2.147 1.00 1.00 C ATOM 511 C CYS A 35 4.961 1.774 2.710 1.00 1.00 C ATOM 512 O CYS A 35 5.197 1.535 3.894 1.00 1.00 O ATOM 513 CB CYS A 35 2.736 2.852 2.293 1.00 1.00 C ATOM 514 SG CYS A 35 1.443 3.061 1.014 1.00 1.00 S ATOM 0 H CYS A 35 2.821 0.510 3.827 1.00 1.00 H new ATOM 0 HA CYS A 35 3.607 1.323 1.085 1.00 1.00 H new ATOM 0 HB2 CYS A 35 2.266 2.865 3.276 1.00 1.00 H new ATOM 0 HB3 CYS A 35 3.415 3.704 2.253 1.00 1.00 H new ATOM 519 N THR A 36 5.904 2.223 1.872 1.00 1.00 N ATOM 520 CA THR A 36 7.279 2.452 2.336 1.00 1.00 C ATOM 521 C THR A 36 7.744 3.897 2.085 1.00 1.00 C ATOM 522 O THR A 36 8.030 4.267 0.946 1.00 1.00 O ATOM 523 CB THR A 36 8.269 1.492 1.648 1.00 1.00 C ATOM 524 OG1 THR A 36 7.794 0.143 1.746 1.00 1.00 O ATOM 525 CG2 THR A 36 9.650 1.593 2.280 1.00 1.00 C ATOM 0 H THR A 36 5.745 2.432 0.886 1.00 1.00 H new ATOM 0 HA THR A 36 7.269 2.266 3.410 1.00 1.00 H new ATOM 0 HB THR A 36 8.344 1.776 0.598 1.00 1.00 H new ATOM 0 HG1 THR A 36 8.428 -0.460 1.305 1.00 1.00 H new ATOM 0 HG21 THR A 36 10.331 0.906 1.778 1.00 1.00 H new ATOM 0 HG22 THR A 36 10.023 2.612 2.179 1.00 1.00 H new ATOM 0 HG23 THR A 36 9.586 1.333 3.337 1.00 1.00 H new ATOM 533 N PRO A 37 7.833 4.736 3.146 1.00 1.00 N ATOM 534 CA PRO A 37 8.274 6.133 3.022 1.00 1.00 C ATOM 535 C PRO A 37 9.793 6.270 2.839 1.00 1.00 C ATOM 536 O PRO A 37 10.554 5.399 3.262 1.00 1.00 O ATOM 537 CB PRO A 37 7.831 6.755 4.343 1.00 1.00 C ATOM 538 CG PRO A 37 7.905 5.634 5.317 1.00 1.00 C ATOM 539 CD PRO A 37 7.517 4.395 4.553 1.00 1.00 C ATOM 0 HA PRO A 37 7.851 6.614 2.140 1.00 1.00 H new ATOM 0 HB2 PRO A 37 8.483 7.579 4.634 1.00 1.00 H new ATOM 0 HB3 PRO A 37 6.820 7.157 4.275 1.00 1.00 H new ATOM 0 HG2 PRO A 37 8.910 5.540 5.728 1.00 1.00 H new ATOM 0 HG3 PRO A 37 7.231 5.802 6.157 1.00 1.00 H new ATOM 0 HD2 PRO A 37 8.080 3.524 4.890 1.00 1.00 H new ATOM 0 HD3 PRO A 37 6.460 4.161 4.680 1.00 1.00 H new ATOM 547 N LYS A 38 10.235 7.369 2.210 1.00 1.00 N ATOM 548 CA LYS A 38 11.672 7.613 1.984 1.00 1.00 C ATOM 549 C LYS A 38 12.487 7.407 3.263 1.00 1.00 C ATOM 550 O LYS A 38 13.032 6.298 3.444 1.00 1.00 O ATOM 551 CB LYS A 38 11.905 9.038 1.461 1.00 1.00 C ATOM 552 CG LYS A 38 13.369 9.345 1.159 1.00 1.00 C ATOM 553 CD LYS A 38 13.652 10.842 1.187 1.00 1.00 C ATOM 554 CE LYS A 38 15.147 11.128 1.138 1.00 1.00 C ATOM 555 NZ LYS A 38 15.438 12.588 1.211 1.00 1.00 N ATOM 556 OXT LYS A 38 12.579 8.360 4.067 1.00 1.00 O ATOM 0 H LYS A 38 9.623 8.101 1.849 1.00 1.00 H new ATOM 0 HA LYS A 38 12.005 6.891 1.239 1.00 1.00 H new ATOM 0 HB2 LYS A 38 11.317 9.184 0.555 1.00 1.00 H new ATOM 0 HB3 LYS A 38 11.537 9.752 2.198 1.00 1.00 H new ATOM 0 HG2 LYS A 38 14.004 8.842 1.888 1.00 1.00 H new ATOM 0 HG3 LYS A 38 13.630 8.944 0.179 1.00 1.00 H new ATOM 0 HD2 LYS A 38 13.161 11.322 0.341 1.00 1.00 H new ATOM 0 HD3 LYS A 38 13.227 11.277 2.091 1.00 1.00 H new ATOM 0 HE2 LYS A 38 15.641 10.618 1.965 1.00 1.00 H new ATOM 0 HE3 LYS A 38 15.564 10.721 0.217 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 16.466 12.739 1.175 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 14.988 13.072 0.408 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 15.063 12.973 2.101 1.00 1.00 H new TER 570 LYS A 38