USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 422 hydrogens (7 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 NoAdj-H: A 10 HYP H : A 10 HYP N : A 9 TYR C :(H bumps) USER MOD Set 1.1: A 14 ASN :FLIP amide:sc= -2.63 F(o=-5.3!,f=-4) USER MOD Set 1.2: A 15 ASN : amide:sc= -1.4! C(o=-4!,f=-13!) USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.0899 (180deg=0) USER MOD Single : A 2 SER OG : rot 17:sc= 0.234 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0651 USER MOD Single : A 9 TYR OH : rot 49:sc= -0.634 USER MOD Single : A 10 HYP OD1 : rot 180:sc= -0.0224 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 134:sc= -0.341 (180deg=-1.3!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.805 F(o=-4.3!,f=-0.8) USER MOD Single : A 29 LYS NZ :NH3+ -117:sc= -0.463 (180deg=-2.54!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.12) USER MOD Single : A 40 HIS : no HD1:sc= -2.11! C(o=-2.1!,f=-3.1!) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.415 F(o=-2.6,f=-0.41) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 49 LYS NZ :NH3+ -157:sc= 0.141 (180deg=0.0231) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -156:sc= -1.65! (180deg=-2.96!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -19.572 5.502 -15.604 1.00 0.00 N ATOM 2 CA ALA A 1 -19.485 4.666 -14.368 1.00 0.00 C ATOM 3 C ALA A 1 -18.824 5.475 -13.237 1.00 0.00 C ATOM 4 O ALA A 1 -18.259 6.525 -13.469 1.00 0.00 O ATOM 5 CB ALA A 1 -18.647 3.407 -14.648 1.00 0.00 C ATOM 0 H1 ALA A 1 -20.570 5.705 -15.816 1.00 0.00 H new ATOM 0 H2 ALA A 1 -19.061 6.396 -15.455 1.00 0.00 H new ATOM 0 H3 ALA A 1 -19.146 4.988 -16.401 1.00 0.00 H new ATOM 0 HA ALA A 1 -20.491 4.374 -14.067 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.587 2.801 -13.744 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.116 2.827 -15.443 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.643 3.699 -14.956 1.00 0.00 H new ATOM 13 N SER A 2 -18.907 4.966 -12.038 1.00 0.00 N ATOM 14 CA SER A 2 -18.302 5.668 -10.859 1.00 0.00 C ATOM 15 C SER A 2 -17.180 4.811 -10.270 1.00 0.00 C ATOM 16 O SER A 2 -17.311 3.602 -10.267 1.00 0.00 O ATOM 17 CB SER A 2 -19.397 5.887 -9.812 1.00 0.00 C ATOM 18 OG SER A 2 -19.862 4.573 -9.505 1.00 0.00 O ATOM 0 H SER A 2 -19.372 4.085 -11.818 1.00 0.00 H new ATOM 0 HA SER A 2 -17.885 6.627 -11.165 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.006 6.387 -8.926 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.200 6.512 -10.202 1.00 0.00 H new ATOM 0 HG SER A 2 -19.205 3.914 -9.811 1.00 0.00 H new ATOM 24 N ALA A 3 -16.140 5.432 -9.777 1.00 0.00 N ATOM 25 CA ALA A 3 -15.011 4.648 -9.187 1.00 0.00 C ATOM 26 C ALA A 3 -15.271 4.581 -7.676 1.00 0.00 C ATOM 27 O ALA A 3 -15.229 5.570 -6.968 1.00 0.00 O ATOM 28 CB ALA A 3 -13.697 5.380 -9.497 1.00 0.00 C ATOM 0 H ALA A 3 -16.022 6.445 -9.757 1.00 0.00 H new ATOM 0 HA ALA A 3 -14.939 3.640 -9.596 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -12.861 4.822 -9.074 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -13.571 5.459 -10.577 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -13.725 6.378 -9.061 1.00 0.00 H new ATOM 34 N THR A 4 -15.531 3.392 -7.213 1.00 0.00 N ATOM 35 CA THR A 4 -15.813 3.178 -5.763 1.00 0.00 C ATOM 36 C THR A 4 -14.592 3.353 -4.837 1.00 0.00 C ATOM 37 O THR A 4 -13.997 2.401 -4.371 1.00 0.00 O ATOM 38 CB THR A 4 -16.417 1.758 -5.651 1.00 0.00 C ATOM 39 OG1 THR A 4 -17.149 1.589 -6.860 1.00 0.00 O ATOM 40 CG2 THR A 4 -17.519 1.691 -4.592 1.00 0.00 C ATOM 0 H THR A 4 -15.561 2.547 -7.783 1.00 0.00 H new ATOM 0 HA THR A 4 -16.501 3.948 -5.415 1.00 0.00 H new ATOM 0 HB THR A 4 -15.621 1.046 -5.435 1.00 0.00 H new ATOM 0 HG1 THR A 4 -17.566 0.702 -6.869 1.00 0.00 H new ATOM 0 HG21 THR A 4 -17.917 0.677 -4.545 1.00 0.00 H new ATOM 0 HG22 THR A 4 -17.107 1.965 -3.621 1.00 0.00 H new ATOM 0 HG23 THR A 4 -18.319 2.383 -4.855 1.00 0.00 H new ATOM 48 N TRP A 5 -14.264 4.595 -4.600 1.00 0.00 N ATOM 49 CA TRP A 5 -13.097 4.920 -3.710 1.00 0.00 C ATOM 50 C TRP A 5 -13.583 5.134 -2.263 1.00 0.00 C ATOM 51 O TRP A 5 -12.802 5.203 -1.332 1.00 0.00 O ATOM 52 CB TRP A 5 -12.419 6.207 -4.216 1.00 0.00 C ATOM 53 CG TRP A 5 -11.406 5.846 -5.299 1.00 0.00 C ATOM 54 CD1 TRP A 5 -11.650 5.662 -6.633 1.00 0.00 C ATOM 55 CD2 TRP A 5 -10.059 5.643 -5.140 1.00 0.00 C ATOM 56 NE1 TRP A 5 -10.556 5.365 -7.286 1.00 0.00 N ATOM 57 CE2 TRP A 5 -9.579 5.345 -6.414 1.00 0.00 C ATOM 58 CE3 TRP A 5 -9.191 5.679 -4.054 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -8.223 5.085 -6.598 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -7.837 5.417 -4.236 1.00 0.00 C ATOM 61 CH2 TRP A 5 -7.352 5.122 -5.509 1.00 0.00 C ATOM 0 H TRP A 5 -14.752 5.405 -4.983 1.00 0.00 H new ATOM 0 HA TRP A 5 -12.387 4.093 -3.730 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -13.166 6.894 -4.614 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -11.922 6.719 -3.392 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -12.625 5.751 -7.090 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -10.478 5.183 -8.287 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -9.568 5.910 -3.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -7.846 4.855 -7.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -7.163 5.442 -3.393 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -6.300 4.922 -5.652 1.00 0.00 H new ATOM 72 N GLY A 6 -14.875 5.239 -2.111 1.00 0.00 N ATOM 73 CA GLY A 6 -15.489 5.452 -0.759 1.00 0.00 C ATOM 74 C GLY A 6 -15.007 4.494 0.327 1.00 0.00 C ATOM 75 O GLY A 6 -14.966 4.878 1.475 1.00 0.00 O ATOM 0 H GLY A 6 -15.546 5.186 -2.877 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -15.282 6.473 -0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -16.571 5.360 -0.850 1.00 0.00 H new ATOM 79 N ALA A 7 -14.645 3.297 -0.054 1.00 0.00 N ATOM 80 CA ALA A 7 -14.164 2.285 0.949 1.00 0.00 C ATOM 81 C ALA A 7 -12.648 2.341 1.160 1.00 0.00 C ATOM 82 O ALA A 7 -12.070 1.498 1.815 1.00 0.00 O ATOM 83 CB ALA A 7 -14.569 0.884 0.459 1.00 0.00 C ATOM 0 H ALA A 7 -14.660 2.970 -1.020 1.00 0.00 H new ATOM 0 HA ALA A 7 -14.625 2.513 1.910 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -14.228 0.136 1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -15.654 0.830 0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -14.112 0.692 -0.512 1.00 0.00 H new ATOM 89 N ALA A 8 -12.040 3.344 0.587 1.00 0.00 N ATOM 90 CA ALA A 8 -10.563 3.500 0.737 1.00 0.00 C ATOM 91 C ALA A 8 -10.340 4.568 1.813 1.00 0.00 C ATOM 92 O ALA A 8 -9.485 4.435 2.663 1.00 0.00 O ATOM 93 CB ALA A 8 -9.951 3.956 -0.602 1.00 0.00 C ATOM 0 H ALA A 8 -12.499 4.060 0.024 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.090 2.560 1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.873 4.069 -0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.160 3.211 -1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.387 4.911 -0.895 1.00 0.00 H new ATOM 99 N TYR A 9 -11.124 5.607 1.739 1.00 0.00 N ATOM 100 CA TYR A 9 -11.011 6.721 2.726 1.00 0.00 C ATOM 101 C TYR A 9 -12.080 6.744 3.856 1.00 0.00 C ATOM 102 O TYR A 9 -12.219 7.742 4.538 1.00 0.00 O ATOM 103 CB TYR A 9 -11.014 8.026 1.877 1.00 0.00 C ATOM 104 CG TYR A 9 -12.414 8.596 1.637 1.00 0.00 C ATOM 105 CD1 TYR A 9 -13.174 8.224 0.557 1.00 0.00 C ATOM 106 CD2 TYR A 9 -12.924 9.504 2.531 1.00 0.00 C ATOM 107 CE1 TYR A 9 -14.427 8.760 0.385 1.00 0.00 C ATOM 108 CE2 TYR A 9 -14.180 10.040 2.360 1.00 0.00 C ATOM 109 CZ TYR A 9 -14.938 9.664 1.281 1.00 0.00 C ATOM 110 OH TYR A 9 -16.205 10.171 1.106 1.00 0.00 O ATOM 0 H TYR A 9 -11.846 5.735 1.030 1.00 0.00 H new ATOM 0 HA TYR A 9 -10.094 6.593 3.302 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -10.406 8.778 2.379 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.542 7.825 0.915 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -12.788 7.511 -0.157 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -12.330 9.803 3.382 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -15.019 8.465 -0.469 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -14.567 10.754 3.072 1.00 0.00 H new ATOM 0 HH TYR A 9 -16.832 9.436 0.940 1.00 0.00 H new HETATM 120 N HYP A 10 -12.815 5.682 4.082 1.00 0.00 N HETATM 121 CA HYP A 10 -14.251 5.738 4.512 1.00 0.00 C HETATM 122 C HYP A 10 -14.466 6.448 5.845 1.00 0.00 C HETATM 123 O HYP A 10 -15.570 6.821 6.212 1.00 0.00 O HETATM 124 CB HYP A 10 -14.758 4.292 4.595 1.00 0.00 C HETATM 125 CG HYP A 10 -13.452 3.520 4.838 1.00 0.00 C HETATM 126 CD HYP A 10 -12.405 4.253 3.992 1.00 0.00 C HETATM 127 OD1 HYP A 10 -13.672 2.255 4.227 1.00 0.00 O HETATM 0 HD23 HYP A 10 -12.406 3.901 2.961 1.00 0.00 H new HETATM 0 HD22 HYP A 10 -11.398 4.100 4.380 1.00 0.00 H new HETATM 0 HG HYP A 10 -13.157 3.436 5.884 1.00 0.00 H new HETATM 0 HD1 HYP A 10 -12.875 1.695 4.337 1.00 0.00 H new HETATM 0 HB3 HYP A 10 -15.472 4.154 5.407 1.00 0.00 H new HETATM 0 HB2 HYP A 10 -15.254 3.979 3.677 1.00 0.00 H new HETATM 0 HA HYP A 10 -14.806 6.325 3.780 1.00 0.00 H new ATOM 135 N ALA A 11 -13.371 6.630 6.519 1.00 0.00 N ATOM 136 CA ALA A 11 -13.380 7.292 7.841 1.00 0.00 C ATOM 137 C ALA A 11 -13.783 8.734 7.687 1.00 0.00 C ATOM 138 O ALA A 11 -14.159 9.335 8.668 1.00 0.00 O ATOM 139 CB ALA A 11 -12.019 7.228 8.438 1.00 0.00 C ATOM 0 H ALA A 11 -12.448 6.339 6.198 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.092 6.782 8.490 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.026 7.716 9.413 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.722 6.186 8.556 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.310 7.735 7.783 1.00 0.00 H new ATOM 145 N CYS A 12 -13.695 9.256 6.499 1.00 0.00 N ATOM 146 CA CYS A 12 -14.106 10.676 6.339 1.00 0.00 C ATOM 147 C CYS A 12 -15.418 10.670 5.537 1.00 0.00 C ATOM 148 O CYS A 12 -15.778 11.626 4.882 1.00 0.00 O ATOM 149 CB CYS A 12 -13.035 11.452 5.581 1.00 0.00 C ATOM 150 SG CYS A 12 -13.173 13.258 5.590 1.00 0.00 S ATOM 0 H CYS A 12 -13.368 8.781 5.657 1.00 0.00 H new ATOM 0 HA CYS A 12 -14.240 11.155 7.309 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -12.064 11.184 5.996 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -13.042 11.116 4.544 1.00 0.00 H new ATOM 155 N GLU A 13 -16.094 9.558 5.611 1.00 0.00 N ATOM 156 CA GLU A 13 -17.388 9.362 4.903 1.00 0.00 C ATOM 157 C GLU A 13 -18.417 8.977 5.966 1.00 0.00 C ATOM 158 O GLU A 13 -19.353 9.708 6.234 1.00 0.00 O ATOM 159 CB GLU A 13 -17.163 8.251 3.864 1.00 0.00 C ATOM 160 CG GLU A 13 -18.305 8.185 2.855 1.00 0.00 C ATOM 161 CD GLU A 13 -17.882 7.215 1.740 1.00 0.00 C ATOM 162 OE1 GLU A 13 -17.963 6.017 1.975 1.00 0.00 O ATOM 163 OE2 GLU A 13 -17.493 7.722 0.693 1.00 0.00 O ATOM 0 H GLU A 13 -15.790 8.749 6.153 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.749 10.249 4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.224 8.427 3.340 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.070 7.291 4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -19.221 7.841 3.335 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -18.512 9.174 2.445 1.00 0.00 H new ATOM 170 N ASN A 14 -18.194 7.815 6.532 1.00 0.00 N ATOM 171 CA ASN A 14 -19.088 7.255 7.606 1.00 0.00 C ATOM 172 C ASN A 14 -19.773 8.320 8.472 1.00 0.00 C ATOM 173 O ASN A 14 -20.966 8.286 8.712 1.00 0.00 O ATOM 174 CB ASN A 14 -18.248 6.312 8.524 1.00 0.00 C ATOM 175 CG ASN A 14 -17.191 7.095 9.324 1.00 0.00 C ATOM 176 OD1 ASN A 14 -16.253 7.729 8.683 1.00 0.00 O flip ATOM 177 ND2 ASN A 14 -17.213 7.140 10.535 1.00 0.00 N flip ATOM 0 H ASN A 14 -17.408 7.212 6.290 1.00 0.00 H new ATOM 0 HA ASN A 14 -19.886 6.717 7.095 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -18.911 5.788 9.212 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -17.756 5.554 7.915 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -17.943 6.648 11.050 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -16.502 7.670 11.039 1.00 0.00 H new ATOM 184 N ASN A 15 -18.963 9.243 8.902 1.00 0.00 N ATOM 185 CA ASN A 15 -19.417 10.370 9.767 1.00 0.00 C ATOM 186 C ASN A 15 -20.347 11.303 8.991 1.00 0.00 C ATOM 187 O ASN A 15 -21.545 11.156 9.085 1.00 0.00 O ATOM 188 CB ASN A 15 -18.152 11.141 10.288 1.00 0.00 C ATOM 189 CG ASN A 15 -17.112 11.381 9.177 1.00 0.00 C ATOM 190 OD1 ASN A 15 -16.793 10.516 8.391 1.00 0.00 O ATOM 191 ND2 ASN A 15 -16.538 12.537 9.042 1.00 0.00 N ATOM 0 H ASN A 15 -17.967 9.265 8.682 1.00 0.00 H new ATOM 0 HA ASN A 15 -19.980 9.982 10.616 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -18.460 12.099 10.706 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.691 10.574 11.097 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -15.854 12.683 8.300 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.771 13.300 9.678 1.00 0.00 H new ATOM 198 N CYS A 16 -19.794 12.230 8.254 1.00 0.00 N ATOM 199 CA CYS A 16 -20.588 13.203 7.453 1.00 0.00 C ATOM 200 C CYS A 16 -21.753 12.600 6.686 1.00 0.00 C ATOM 201 O CYS A 16 -22.717 13.287 6.400 1.00 0.00 O ATOM 202 CB CYS A 16 -19.658 13.874 6.490 1.00 0.00 C ATOM 203 SG CYS A 16 -18.286 14.819 7.203 1.00 0.00 S ATOM 0 H CYS A 16 -18.785 12.355 8.173 1.00 0.00 H new ATOM 0 HA CYS A 16 -21.037 13.901 8.160 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -19.240 13.111 5.834 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -20.244 14.546 5.864 1.00 0.00 H new ATOM 208 N ARG A 17 -21.640 11.333 6.372 1.00 0.00 N ATOM 209 CA ARG A 17 -22.740 10.684 5.620 1.00 0.00 C ATOM 210 C ARG A 17 -23.897 10.572 6.602 1.00 0.00 C ATOM 211 O ARG A 17 -24.982 11.035 6.306 1.00 0.00 O ATOM 212 CB ARG A 17 -22.225 9.327 5.140 1.00 0.00 C ATOM 213 CG ARG A 17 -23.288 8.591 4.287 1.00 0.00 C ATOM 214 CD ARG A 17 -22.569 7.560 3.399 1.00 0.00 C ATOM 215 NE ARG A 17 -23.523 7.043 2.368 1.00 0.00 N ATOM 216 CZ ARG A 17 -23.784 5.766 2.275 1.00 0.00 C ATOM 217 NH1 ARG A 17 -22.797 4.923 2.344 1.00 0.00 N ATOM 218 NH2 ARG A 17 -25.015 5.368 2.115 1.00 0.00 N ATOM 0 H ARG A 17 -20.846 10.735 6.602 1.00 0.00 H new ATOM 0 HA ARG A 17 -23.074 11.233 4.740 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -21.318 9.467 4.552 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -21.957 8.713 6.000 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -24.015 8.096 4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -23.840 9.302 3.672 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -21.706 8.018 2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -22.193 6.738 4.008 1.00 0.00 H new ATOM 0 HE ARG A 17 -23.976 7.697 1.729 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -21.843 5.263 2.468 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -22.976 3.921 2.274 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -25.770 6.052 2.063 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -25.224 4.372 2.042 1.00 0.00 H new ATOM 232 N LYS A 18 -23.667 9.992 7.752 1.00 0.00 N ATOM 233 CA LYS A 18 -24.806 9.890 8.707 1.00 0.00 C ATOM 234 C LYS A 18 -25.104 11.330 9.142 1.00 0.00 C ATOM 235 O LYS A 18 -26.243 11.726 9.262 1.00 0.00 O ATOM 236 CB LYS A 18 -24.398 9.009 9.924 1.00 0.00 C ATOM 237 CG LYS A 18 -25.432 7.860 10.039 1.00 0.00 C ATOM 238 CD LYS A 18 -25.209 7.030 11.324 1.00 0.00 C ATOM 239 CE LYS A 18 -26.265 5.893 11.395 1.00 0.00 C ATOM 240 NZ LYS A 18 -27.303 6.192 12.424 1.00 0.00 N ATOM 0 H LYS A 18 -22.778 9.600 8.061 1.00 0.00 H new ATOM 0 HA LYS A 18 -25.684 9.424 8.259 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.394 8.608 9.787 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -24.382 9.603 10.838 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -26.440 8.274 10.041 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -25.356 7.211 9.167 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.204 6.608 11.328 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -25.289 7.671 12.202 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.738 5.770 10.421 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.774 4.949 11.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -27.997 5.418 12.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -26.851 6.286 13.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.786 7.081 12.182 1.00 0.00 H new ATOM 254 N LYS A 19 -24.063 12.086 9.362 1.00 0.00 N ATOM 255 CA LYS A 19 -24.207 13.511 9.786 1.00 0.00 C ATOM 256 C LYS A 19 -25.158 14.242 8.843 1.00 0.00 C ATOM 257 O LYS A 19 -26.003 14.973 9.303 1.00 0.00 O ATOM 258 CB LYS A 19 -22.828 14.191 9.776 1.00 0.00 C ATOM 259 CG LYS A 19 -22.722 15.263 10.888 1.00 0.00 C ATOM 260 CD LYS A 19 -22.815 14.624 12.306 1.00 0.00 C ATOM 261 CE LYS A 19 -23.667 15.491 13.273 1.00 0.00 C ATOM 262 NZ LYS A 19 -24.997 15.843 12.686 1.00 0.00 N ATOM 0 H LYS A 19 -23.098 11.770 9.264 1.00 0.00 H new ATOM 0 HA LYS A 19 -24.618 13.547 10.795 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.049 13.441 9.915 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.655 14.653 8.804 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -21.778 15.799 10.790 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -23.519 15.997 10.765 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -23.253 13.629 12.228 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.813 14.500 12.716 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -23.815 14.952 14.209 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -23.124 16.405 13.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -25.742 15.685 13.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -24.997 16.843 12.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -25.178 15.246 11.854 1.00 0.00 H new ATOM 276 N TYR A 20 -25.022 14.037 7.562 1.00 0.00 N ATOM 277 CA TYR A 20 -25.919 14.712 6.574 1.00 0.00 C ATOM 278 C TYR A 20 -27.358 14.353 6.976 1.00 0.00 C ATOM 279 O TYR A 20 -28.269 15.155 6.949 1.00 0.00 O ATOM 280 CB TYR A 20 -25.556 14.180 5.150 1.00 0.00 C ATOM 281 CG TYR A 20 -26.793 14.061 4.235 1.00 0.00 C ATOM 282 CD1 TYR A 20 -27.596 15.157 4.031 1.00 0.00 C ATOM 283 CD2 TYR A 20 -27.121 12.881 3.600 1.00 0.00 C ATOM 284 CE1 TYR A 20 -28.698 15.102 3.220 1.00 0.00 C ATOM 285 CE2 TYR A 20 -28.233 12.819 2.781 1.00 0.00 C ATOM 286 CZ TYR A 20 -29.026 13.930 2.585 1.00 0.00 C ATOM 287 OH TYR A 20 -30.128 13.867 1.758 1.00 0.00 O ATOM 0 H TYR A 20 -24.319 13.423 7.150 1.00 0.00 H new ATOM 0 HA TYR A 20 -25.809 15.796 6.562 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -24.829 14.849 4.689 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -25.079 13.204 5.240 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -27.352 16.087 4.523 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -26.508 12.004 3.743 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -29.309 15.981 3.080 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -28.483 11.891 2.289 1.00 0.00 H new ATOM 0 HH TYR A 20 -30.210 12.962 1.391 1.00 0.00 H new ATOM 297 N ASP A 21 -27.495 13.120 7.363 1.00 0.00 N ATOM 298 CA ASP A 21 -28.810 12.566 7.789 1.00 0.00 C ATOM 299 C ASP A 21 -29.083 12.870 9.258 1.00 0.00 C ATOM 300 O ASP A 21 -30.189 12.692 9.729 1.00 0.00 O ATOM 301 CB ASP A 21 -28.753 11.073 7.543 1.00 0.00 C ATOM 302 CG ASP A 21 -28.900 10.797 6.043 1.00 0.00 C ATOM 303 OD1 ASP A 21 -30.002 10.996 5.551 1.00 0.00 O ATOM 304 OD2 ASP A 21 -27.900 10.399 5.465 1.00 0.00 O ATOM 0 H ASP A 21 -26.726 12.451 7.404 1.00 0.00 H new ATOM 0 HA ASP A 21 -29.624 13.021 7.224 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -27.808 10.669 7.907 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -29.548 10.572 8.096 1.00 0.00 H new ATOM 309 N LEU A 22 -28.077 13.317 9.956 1.00 0.00 N ATOM 310 CA LEU A 22 -28.237 13.656 11.407 1.00 0.00 C ATOM 311 C LEU A 22 -28.036 15.164 11.574 1.00 0.00 C ATOM 312 O LEU A 22 -27.855 15.659 12.671 1.00 0.00 O ATOM 313 CB LEU A 22 -27.192 12.883 12.238 1.00 0.00 C ATOM 314 CG LEU A 22 -27.541 11.375 12.248 1.00 0.00 C ATOM 315 CD1 LEU A 22 -26.390 10.598 12.918 1.00 0.00 C ATOM 316 CD2 LEU A 22 -28.853 11.158 13.045 1.00 0.00 C ATOM 0 H LEU A 22 -27.139 13.465 9.584 1.00 0.00 H new ATOM 0 HA LEU A 22 -29.231 13.376 11.755 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -26.197 13.033 11.818 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -27.169 13.267 13.258 1.00 0.00 H new ATOM 0 HG LEU A 22 -27.677 11.017 11.227 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -26.627 9.534 12.929 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -25.469 10.758 12.358 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -26.259 10.952 13.941 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -29.102 10.097 13.054 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -28.719 11.508 14.069 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -29.662 11.716 12.573 1.00 0.00 H new ATOM 328 N CYS A 23 -28.080 15.827 10.451 1.00 0.00 N ATOM 329 CA CYS A 23 -27.913 17.304 10.379 1.00 0.00 C ATOM 330 C CYS A 23 -29.240 17.915 9.970 1.00 0.00 C ATOM 331 O CYS A 23 -29.586 18.933 10.529 1.00 0.00 O ATOM 332 CB CYS A 23 -26.838 17.665 9.331 1.00 0.00 C ATOM 333 SG CYS A 23 -26.914 19.277 8.499 1.00 0.00 S ATOM 0 H CYS A 23 -28.231 15.385 9.544 1.00 0.00 H new ATOM 0 HA CYS A 23 -27.599 17.688 11.350 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -25.867 17.594 9.820 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -26.862 16.896 8.559 1.00 0.00 H new ATOM 338 N ILE A 24 -29.926 17.301 9.033 1.00 0.00 N ATOM 339 CA ILE A 24 -31.253 17.839 8.558 1.00 0.00 C ATOM 340 C ILE A 24 -32.288 18.252 9.651 1.00 0.00 C ATOM 341 O ILE A 24 -33.336 17.669 9.870 1.00 0.00 O ATOM 342 CB ILE A 24 -31.817 16.747 7.540 1.00 0.00 C ATOM 343 CG1 ILE A 24 -31.198 17.091 6.166 1.00 0.00 C ATOM 344 CG2 ILE A 24 -33.326 16.851 7.300 1.00 0.00 C ATOM 345 CD1 ILE A 24 -31.157 15.855 5.255 1.00 0.00 C ATOM 0 H ILE A 24 -29.625 16.443 8.571 1.00 0.00 H new ATOM 0 HA ILE A 24 -31.082 18.807 8.088 1.00 0.00 H new ATOM 0 HB ILE A 24 -31.584 15.765 7.951 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -31.779 17.880 5.689 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -30.189 17.478 6.305 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -33.637 16.077 6.598 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -33.855 16.718 8.244 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -33.562 17.832 6.887 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -30.717 16.125 4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -30.555 15.077 5.724 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -32.170 15.485 5.098 1.00 0.00 H new ATOM 357 N ARG A 25 -31.974 19.318 10.334 1.00 0.00 N ATOM 358 CA ARG A 25 -32.843 19.858 11.412 1.00 0.00 C ATOM 359 C ARG A 25 -33.731 20.833 10.655 1.00 0.00 C ATOM 360 O ARG A 25 -33.841 21.996 11.003 1.00 0.00 O ATOM 361 CB ARG A 25 -32.029 20.646 12.463 1.00 0.00 C ATOM 362 CG ARG A 25 -31.084 19.830 13.379 1.00 0.00 C ATOM 363 CD ARG A 25 -31.543 18.391 13.657 1.00 0.00 C ATOM 364 NE ARG A 25 -30.986 17.544 12.573 1.00 0.00 N ATOM 365 CZ ARG A 25 -31.434 16.334 12.415 1.00 0.00 C ATOM 366 NH1 ARG A 25 -32.610 16.187 11.885 1.00 0.00 N ATOM 367 NH2 ARG A 25 -30.692 15.331 12.791 1.00 0.00 N ATOM 0 H ARG A 25 -31.120 19.854 10.181 1.00 0.00 H new ATOM 0 HA ARG A 25 -33.369 19.072 11.954 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -31.431 21.392 11.939 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -32.730 21.188 13.097 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -30.095 19.799 12.922 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -30.980 20.354 14.329 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -31.189 18.054 14.631 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -32.631 18.329 13.675 1.00 0.00 H new ATOM 0 HE ARG A 25 -30.258 17.908 11.958 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -33.150 17.006 11.608 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -32.993 15.252 11.746 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -29.774 15.502 13.202 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -31.029 14.375 12.674 1.00 0.00 H new ATOM 381 N CYS A 26 -34.356 20.320 9.618 1.00 0.00 N ATOM 382 CA CYS A 26 -35.252 21.208 8.817 1.00 0.00 C ATOM 383 C CYS A 26 -36.324 21.801 9.741 1.00 0.00 C ATOM 384 O CYS A 26 -37.023 22.742 9.428 1.00 0.00 O ATOM 385 CB CYS A 26 -35.944 20.461 7.738 1.00 0.00 C ATOM 386 SG CYS A 26 -34.862 19.632 6.548 1.00 0.00 S ATOM 0 H CYS A 26 -34.286 19.353 9.301 1.00 0.00 H new ATOM 0 HA CYS A 26 -34.634 21.985 8.368 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -36.592 19.714 8.195 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -36.588 21.153 7.196 1.00 0.00 H new ATOM 391 N GLN A 27 -36.394 21.173 10.880 1.00 0.00 N ATOM 392 CA GLN A 27 -37.342 21.545 11.945 1.00 0.00 C ATOM 393 C GLN A 27 -36.579 22.161 13.128 1.00 0.00 C ATOM 394 O GLN A 27 -35.426 21.848 13.352 1.00 0.00 O ATOM 395 CB GLN A 27 -38.081 20.302 12.451 1.00 0.00 C ATOM 396 CG GLN A 27 -37.047 19.148 12.678 1.00 0.00 C ATOM 397 CD GLN A 27 -37.092 18.197 11.485 1.00 0.00 C ATOM 398 OE1 GLN A 27 -37.346 18.688 10.310 1.00 0.00 O flip ATOM 399 NE2 GLN A 27 -36.900 17.008 11.596 1.00 0.00 N flip ATOM 0 H GLN A 27 -35.799 20.379 11.118 1.00 0.00 H new ATOM 0 HA GLN A 27 -38.054 22.262 11.537 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -38.603 20.527 13.381 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -38.836 19.993 11.728 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -36.044 19.559 12.794 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -37.279 18.610 13.597 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -36.699 16.607 12.512 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -36.939 16.406 10.773 1.00 0.00 H new ATOM 408 N GLY A 28 -37.221 23.022 13.863 1.00 0.00 N ATOM 409 CA GLY A 28 -36.520 23.635 15.031 1.00 0.00 C ATOM 410 C GLY A 28 -35.502 24.677 14.608 1.00 0.00 C ATOM 411 O GLY A 28 -35.754 25.856 14.751 1.00 0.00 O ATOM 0 H GLY A 28 -38.183 23.326 13.713 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -37.254 24.095 15.692 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -36.021 22.853 15.604 1.00 0.00 H new ATOM 415 N LYS A 29 -34.385 24.241 14.086 1.00 0.00 N ATOM 416 CA LYS A 29 -33.366 25.252 13.672 1.00 0.00 C ATOM 417 C LYS A 29 -33.587 25.667 12.209 1.00 0.00 C ATOM 418 O LYS A 29 -33.378 26.822 11.903 1.00 0.00 O ATOM 419 CB LYS A 29 -31.934 24.633 13.927 1.00 0.00 C ATOM 420 CG LYS A 29 -31.339 24.018 12.666 1.00 0.00 C ATOM 421 CD LYS A 29 -29.940 23.384 12.887 1.00 0.00 C ATOM 422 CE LYS A 29 -28.862 24.481 13.024 1.00 0.00 C ATOM 423 NZ LYS A 29 -28.807 24.961 14.430 1.00 0.00 N ATOM 0 H LYS A 29 -34.138 23.263 13.932 1.00 0.00 H new ATOM 0 HA LYS A 29 -33.458 26.165 14.260 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -31.266 25.409 14.301 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -32.003 23.871 14.703 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -32.019 23.255 12.288 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -31.263 24.787 11.897 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -29.953 22.765 13.784 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -29.696 22.729 12.051 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -27.890 24.088 12.726 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -29.088 25.311 12.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -29.067 25.967 14.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -29.472 24.412 15.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -27.843 24.840 14.801 1.00 0.00 H new ATOM 437 N TRP A 30 -34.001 24.799 11.312 1.00 0.00 N ATOM 438 CA TRP A 30 -34.201 25.297 9.900 1.00 0.00 C ATOM 439 C TRP A 30 -35.710 25.574 9.719 1.00 0.00 C ATOM 440 O TRP A 30 -36.292 25.328 8.679 1.00 0.00 O ATOM 441 CB TRP A 30 -33.764 24.236 8.863 1.00 0.00 C ATOM 442 CG TRP A 30 -32.253 24.165 8.703 1.00 0.00 C ATOM 443 CD1 TRP A 30 -31.367 23.640 9.577 1.00 0.00 C ATOM 444 CD2 TRP A 30 -31.486 24.632 7.689 1.00 0.00 C ATOM 445 NE1 TRP A 30 -30.128 23.757 9.185 1.00 0.00 N ATOM 446 CE2 TRP A 30 -30.162 24.365 8.026 1.00 0.00 C ATOM 447 CE3 TRP A 30 -31.808 25.247 6.507 1.00 0.00 C ATOM 448 CZ2 TRP A 30 -29.156 24.747 7.145 1.00 0.00 C ATOM 449 CZ3 TRP A 30 -30.815 25.626 5.635 1.00 0.00 C ATOM 450 CH2 TRP A 30 -29.481 25.382 5.944 1.00 0.00 C ATOM 0 H TRP A 30 -34.202 23.813 11.478 1.00 0.00 H new ATOM 0 HA TRP A 30 -33.600 26.192 9.743 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -34.140 23.259 9.167 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -34.218 24.466 7.899 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -31.655 23.171 10.506 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -29.297 23.438 9.683 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -32.843 25.434 6.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -28.122 24.552 7.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -31.072 26.115 4.707 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -28.701 25.682 5.260 1.00 0.00 H new ATOM 461 N ALA A 31 -36.279 26.094 10.775 1.00 0.00 N ATOM 462 CA ALA A 31 -37.726 26.464 10.886 1.00 0.00 C ATOM 463 C ALA A 31 -38.262 27.323 9.740 1.00 0.00 C ATOM 464 O ALA A 31 -38.536 28.502 9.881 1.00 0.00 O ATOM 465 CB ALA A 31 -37.888 27.165 12.237 1.00 0.00 C ATOM 0 H ALA A 31 -35.757 26.291 11.629 1.00 0.00 H new ATOM 0 HA ALA A 31 -38.325 25.556 10.817 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -38.929 27.458 12.372 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -37.596 26.485 13.037 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -37.255 28.052 12.265 1.00 0.00 H new ATOM 471 N GLY A 32 -38.386 26.660 8.626 1.00 0.00 N ATOM 472 CA GLY A 32 -38.893 27.326 7.392 1.00 0.00 C ATOM 473 C GLY A 32 -37.761 27.412 6.390 1.00 0.00 C ATOM 474 O GLY A 32 -37.953 27.659 5.219 1.00 0.00 O ATOM 0 H GLY A 32 -38.155 25.673 8.515 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -39.727 26.763 6.973 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -39.267 28.323 7.626 1.00 0.00 H new ATOM 478 N LYS A 33 -36.586 27.179 6.895 1.00 0.00 N ATOM 479 CA LYS A 33 -35.358 27.220 6.060 1.00 0.00 C ATOM 480 C LYS A 33 -35.257 25.893 5.288 1.00 0.00 C ATOM 481 O LYS A 33 -34.317 25.695 4.544 1.00 0.00 O ATOM 482 CB LYS A 33 -34.146 27.414 6.997 1.00 0.00 C ATOM 483 CG LYS A 33 -34.240 28.766 7.745 1.00 0.00 C ATOM 484 CD LYS A 33 -33.539 29.878 6.917 1.00 0.00 C ATOM 485 CE LYS A 33 -32.730 30.806 7.847 1.00 0.00 C ATOM 486 NZ LYS A 33 -31.496 31.275 7.155 1.00 0.00 N ATOM 0 H LYS A 33 -36.421 26.956 7.877 1.00 0.00 H new ATOM 0 HA LYS A 33 -35.384 28.041 5.344 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -34.103 26.597 7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -33.223 27.377 6.418 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -35.285 29.028 7.911 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -33.773 28.682 8.726 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -32.878 29.428 6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -34.283 30.458 6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -33.339 31.661 8.140 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -32.464 30.276 8.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -30.958 31.899 7.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -30.910 30.456 6.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -31.758 31.798 6.295 1.00 0.00 H new ATOM 500 N ARG A 34 -36.226 25.030 5.501 1.00 0.00 N ATOM 501 CA ARG A 34 -36.313 23.682 4.831 1.00 0.00 C ATOM 502 C ARG A 34 -35.656 23.720 3.440 1.00 0.00 C ATOM 503 O ARG A 34 -34.765 22.956 3.129 1.00 0.00 O ATOM 504 CB ARG A 34 -37.815 23.292 4.717 1.00 0.00 C ATOM 505 CG ARG A 34 -38.034 21.981 3.890 1.00 0.00 C ATOM 506 CD ARG A 34 -37.604 20.749 4.713 1.00 0.00 C ATOM 507 NE ARG A 34 -38.561 19.629 4.465 1.00 0.00 N ATOM 508 CZ ARG A 34 -39.238 19.108 5.456 1.00 0.00 C ATOM 509 NH1 ARG A 34 -39.932 19.899 6.221 1.00 0.00 N ATOM 510 NH2 ARG A 34 -39.195 17.820 5.644 1.00 0.00 N ATOM 0 H ARG A 34 -36.998 25.213 6.143 1.00 0.00 H new ATOM 0 HA ARG A 34 -35.779 22.939 5.423 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -38.230 23.161 5.716 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -38.364 24.109 4.249 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -39.084 21.891 3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -37.460 22.027 2.965 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -36.594 20.447 4.436 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -37.583 20.996 5.774 1.00 0.00 H new ATOM 0 HE ARG A 34 -38.687 19.269 3.519 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -39.941 20.903 6.042 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -40.468 19.515 7.000 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -38.639 17.232 5.023 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -39.717 17.399 6.412 1.00 0.00 H new ATOM 524 N GLY A 35 -36.163 24.646 2.664 1.00 0.00 N ATOM 525 CA GLY A 35 -35.704 24.906 1.255 1.00 0.00 C ATOM 526 C GLY A 35 -34.217 24.624 1.064 1.00 0.00 C ATOM 527 O GLY A 35 -33.794 24.094 0.057 1.00 0.00 O ATOM 0 H GLY A 35 -36.916 25.266 2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -36.279 24.285 0.568 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -35.910 25.944 0.995 1.00 0.00 H new ATOM 531 N LYS A 36 -33.471 25.004 2.061 1.00 0.00 N ATOM 532 CA LYS A 36 -32.002 24.804 2.045 1.00 0.00 C ATOM 533 C LYS A 36 -31.524 23.850 3.147 1.00 0.00 C ATOM 534 O LYS A 36 -30.390 23.422 3.016 1.00 0.00 O ATOM 535 CB LYS A 36 -31.316 26.184 2.201 1.00 0.00 C ATOM 536 CG LYS A 36 -31.017 26.805 0.807 1.00 0.00 C ATOM 537 CD LYS A 36 -31.743 28.170 0.638 1.00 0.00 C ATOM 538 CE LYS A 36 -30.747 29.254 0.179 1.00 0.00 C ATOM 539 NZ LYS A 36 -30.166 28.890 -1.146 1.00 0.00 N ATOM 0 H LYS A 36 -33.828 25.454 2.904 1.00 0.00 H new ATOM 0 HA LYS A 36 -31.732 24.342 1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -31.958 26.853 2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -30.389 26.074 2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -29.942 26.944 0.690 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -31.337 26.119 0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -32.547 28.074 -0.091 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -32.202 28.465 1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -31.252 30.217 0.111 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -29.951 29.363 0.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -29.747 29.735 -1.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -29.430 28.167 -1.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -30.915 28.514 -1.762 1.00 0.00 H new ATOM 553 N CYS A 37 -32.311 23.526 4.165 1.00 0.00 N ATOM 554 CA CYS A 37 -31.796 22.575 5.232 1.00 0.00 C ATOM 555 C CYS A 37 -31.162 21.388 4.541 1.00 0.00 C ATOM 556 O CYS A 37 -30.060 20.947 4.806 1.00 0.00 O ATOM 557 CB CYS A 37 -32.937 22.003 6.142 1.00 0.00 C ATOM 558 SG CYS A 37 -34.264 21.103 5.294 1.00 0.00 S ATOM 0 H CYS A 37 -33.262 23.867 4.303 1.00 0.00 H new ATOM 0 HA CYS A 37 -31.100 23.138 5.854 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -32.487 21.336 6.877 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -33.383 22.831 6.693 1.00 0.00 H new ATOM 563 N ALA A 38 -31.980 20.937 3.639 1.00 0.00 N ATOM 564 CA ALA A 38 -31.626 19.776 2.814 1.00 0.00 C ATOM 565 C ALA A 38 -30.237 19.905 2.190 1.00 0.00 C ATOM 566 O ALA A 38 -29.289 19.331 2.691 1.00 0.00 O ATOM 567 CB ALA A 38 -32.742 19.650 1.760 1.00 0.00 C ATOM 0 H ALA A 38 -32.897 21.339 3.441 1.00 0.00 H new ATOM 0 HA ALA A 38 -31.561 18.871 3.419 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -32.535 18.799 1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -33.699 19.501 2.260 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -32.782 20.561 1.162 1.00 0.00 H new ATOM 573 N ALA A 39 -30.166 20.644 1.107 1.00 0.00 N ATOM 574 CA ALA A 39 -28.863 20.859 0.401 1.00 0.00 C ATOM 575 C ALA A 39 -27.741 21.022 1.432 1.00 0.00 C ATOM 576 O ALA A 39 -26.771 20.292 1.439 1.00 0.00 O ATOM 577 CB ALA A 39 -28.966 22.118 -0.461 1.00 0.00 C ATOM 0 H ALA A 39 -30.965 21.112 0.678 1.00 0.00 H new ATOM 0 HA ALA A 39 -28.639 20.001 -0.233 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -28.021 22.283 -0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -29.764 21.994 -1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -29.186 22.976 0.174 1.00 0.00 H new ATOM 583 N HIS A 40 -27.950 21.998 2.273 1.00 0.00 N ATOM 584 CA HIS A 40 -26.983 22.329 3.359 1.00 0.00 C ATOM 585 C HIS A 40 -26.398 21.094 4.040 1.00 0.00 C ATOM 586 O HIS A 40 -25.202 20.945 4.214 1.00 0.00 O ATOM 587 CB HIS A 40 -27.685 23.181 4.419 1.00 0.00 C ATOM 588 CG HIS A 40 -26.604 23.716 5.372 1.00 0.00 C ATOM 589 ND1 HIS A 40 -25.975 22.905 6.164 1.00 0.00 N ATOM 590 CD2 HIS A 40 -26.140 24.997 5.543 1.00 0.00 C ATOM 591 CE1 HIS A 40 -25.155 23.710 6.780 1.00 0.00 C ATOM 592 NE2 HIS A 40 -25.204 24.979 6.457 1.00 0.00 N ATOM 0 H HIS A 40 -28.775 22.597 2.251 1.00 0.00 H new ATOM 0 HA HIS A 40 -26.159 22.869 2.892 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -28.226 24.004 3.952 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -28.418 22.587 4.965 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -26.489 25.871 5.013 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -24.464 23.346 7.526 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -24.653 25.755 6.824 1.00 0.00 H new ATOM 600 N CYS A 41 -27.278 20.214 4.425 1.00 0.00 N ATOM 601 CA CYS A 41 -26.800 18.982 5.107 1.00 0.00 C ATOM 602 C CYS A 41 -26.118 18.037 4.113 1.00 0.00 C ATOM 603 O CYS A 41 -25.182 17.332 4.446 1.00 0.00 O ATOM 604 CB CYS A 41 -28.050 18.410 5.766 1.00 0.00 C ATOM 605 SG CYS A 41 -28.552 19.218 7.309 1.00 0.00 S ATOM 0 H CYS A 41 -28.287 20.291 4.300 1.00 0.00 H new ATOM 0 HA CYS A 41 -26.029 19.163 5.855 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -28.876 18.473 5.057 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -27.883 17.352 5.967 1.00 0.00 H new ATOM 610 N ILE A 42 -26.592 18.047 2.899 1.00 0.00 N ATOM 611 CA ILE A 42 -26.002 17.159 1.844 1.00 0.00 C ATOM 612 C ILE A 42 -24.548 17.587 1.555 1.00 0.00 C ATOM 613 O ILE A 42 -23.633 16.782 1.517 1.00 0.00 O ATOM 614 CB ILE A 42 -26.938 17.265 0.567 1.00 0.00 C ATOM 615 CG1 ILE A 42 -27.437 15.859 0.147 1.00 0.00 C ATOM 616 CG2 ILE A 42 -26.236 17.908 -0.657 1.00 0.00 C ATOM 617 CD1 ILE A 42 -28.784 15.977 -0.607 1.00 0.00 C ATOM 0 H ILE A 42 -27.366 18.633 2.585 1.00 0.00 H new ATOM 0 HA ILE A 42 -25.957 16.118 2.165 1.00 0.00 H new ATOM 0 HB ILE A 42 -27.767 17.909 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -26.696 15.377 -0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -27.558 15.229 1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -26.932 17.950 -1.495 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -25.913 18.918 -0.402 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -25.369 17.309 -0.935 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -29.126 14.984 -0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -29.526 16.440 0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -28.650 16.590 -1.498 1.00 0.00 H new ATOM 629 N ILE A 43 -24.396 18.875 1.362 1.00 0.00 N ATOM 630 CA ILE A 43 -23.069 19.484 1.071 1.00 0.00 C ATOM 631 C ILE A 43 -22.033 18.922 2.023 1.00 0.00 C ATOM 632 O ILE A 43 -20.861 18.888 1.709 1.00 0.00 O ATOM 633 CB ILE A 43 -23.159 21.012 1.247 1.00 0.00 C ATOM 634 CG1 ILE A 43 -24.179 21.601 0.246 1.00 0.00 C ATOM 635 CG2 ILE A 43 -21.790 21.669 0.978 1.00 0.00 C ATOM 636 CD1 ILE A 43 -24.650 22.965 0.774 1.00 0.00 C ATOM 0 H ILE A 43 -25.164 19.546 1.396 1.00 0.00 H new ATOM 0 HA ILE A 43 -22.778 19.253 0.046 1.00 0.00 H new ATOM 0 HB ILE A 43 -23.472 21.214 2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -23.723 21.713 -0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -25.027 20.927 0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -21.873 22.748 1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -21.054 21.275 1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -21.475 21.449 -0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -25.371 23.395 0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -25.119 22.835 1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -23.794 23.634 0.869 1.00 0.00 H new ATOM 648 N GLN A 44 -22.488 18.474 3.160 1.00 0.00 N ATOM 649 CA GLN A 44 -21.498 17.926 4.116 1.00 0.00 C ATOM 650 C GLN A 44 -21.082 16.502 3.723 1.00 0.00 C ATOM 651 O GLN A 44 -19.902 16.219 3.726 1.00 0.00 O ATOM 652 CB GLN A 44 -22.129 17.969 5.535 1.00 0.00 C ATOM 653 CG GLN A 44 -21.370 19.005 6.429 1.00 0.00 C ATOM 654 CD GLN A 44 -21.224 20.393 5.775 1.00 0.00 C ATOM 655 OE1 GLN A 44 -22.031 20.748 4.819 1.00 0.00 O flip ATOM 656 NE2 GLN A 44 -20.365 21.174 6.129 1.00 0.00 N flip ATOM 0 H GLN A 44 -23.464 18.464 3.458 1.00 0.00 H new ATOM 0 HA GLN A 44 -20.588 18.526 4.102 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -23.182 18.240 5.465 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -22.084 16.980 5.992 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -21.899 19.112 7.376 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -20.379 18.615 6.661 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -19.720 20.918 6.877 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -20.288 22.086 5.679 1.00 0.00 H new ATOM 665 N LYS A 45 -22.008 15.644 3.380 1.00 0.00 N ATOM 666 CA LYS A 45 -21.617 14.245 2.995 1.00 0.00 C ATOM 667 C LYS A 45 -20.680 14.287 1.790 1.00 0.00 C ATOM 668 O LYS A 45 -19.885 13.388 1.608 1.00 0.00 O ATOM 669 CB LYS A 45 -22.896 13.410 2.665 1.00 0.00 C ATOM 670 CG LYS A 45 -23.682 13.917 1.414 1.00 0.00 C ATOM 671 CD LYS A 45 -24.326 12.734 0.621 1.00 0.00 C ATOM 672 CE LYS A 45 -23.611 12.514 -0.743 1.00 0.00 C ATOM 673 NZ LYS A 45 -24.583 12.038 -1.778 1.00 0.00 N ATOM 0 H LYS A 45 -23.008 15.843 3.348 1.00 0.00 H new ATOM 0 HA LYS A 45 -21.097 13.771 3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.607 12.371 2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -23.560 13.425 3.529 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -24.461 14.611 1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -23.008 14.470 0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.270 11.822 1.215 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -25.383 12.939 0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -23.149 13.445 -1.072 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -22.810 11.784 -0.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -24.087 11.897 -2.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -25.005 11.139 -1.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -25.333 12.748 -1.902 1.00 0.00 H new ATOM 687 N ASN A 46 -20.790 15.325 0.995 1.00 0.00 N ATOM 688 CA ASN A 46 -19.898 15.433 -0.202 1.00 0.00 C ATOM 689 C ASN A 46 -18.623 16.201 0.150 1.00 0.00 C ATOM 690 O ASN A 46 -17.544 15.712 -0.113 1.00 0.00 O ATOM 691 CB ASN A 46 -20.631 16.152 -1.342 1.00 0.00 C ATOM 692 CG ASN A 46 -19.912 15.790 -2.656 1.00 0.00 C ATOM 693 OD1 ASN A 46 -19.253 16.603 -3.264 1.00 0.00 O ATOM 694 ND2 ASN A 46 -20.007 14.585 -3.140 1.00 0.00 N ATOM 0 H ASN A 46 -21.450 16.093 1.121 1.00 0.00 H new ATOM 0 HA ASN A 46 -19.629 14.427 -0.523 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -21.676 15.845 -1.380 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -20.621 17.230 -1.184 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -19.533 14.346 -4.011 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -20.556 13.880 -2.648 1.00 0.00 H new ATOM 701 N ASN A 47 -18.771 17.372 0.729 1.00 0.00 N ATOM 702 CA ASN A 47 -17.556 18.181 1.108 1.00 0.00 C ATOM 703 C ASN A 47 -16.543 17.286 1.836 1.00 0.00 C ATOM 704 O ASN A 47 -15.376 17.256 1.501 1.00 0.00 O ATOM 705 CB ASN A 47 -17.959 19.348 2.040 1.00 0.00 C ATOM 706 CG ASN A 47 -16.734 20.237 2.301 1.00 0.00 C ATOM 707 OD1 ASN A 47 -16.106 20.737 1.392 1.00 0.00 O ATOM 708 ND2 ASN A 47 -16.350 20.473 3.520 1.00 0.00 N ATOM 0 H ASN A 47 -19.668 17.802 0.955 1.00 0.00 H new ATOM 0 HA ASN A 47 -17.108 18.583 0.199 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -18.757 19.934 1.584 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -18.347 18.959 2.981 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -15.539 21.066 3.693 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -16.860 20.065 4.303 1.00 0.00 H new ATOM 715 N CYS A 48 -17.051 16.587 2.821 1.00 0.00 N ATOM 716 CA CYS A 48 -16.205 15.652 3.644 1.00 0.00 C ATOM 717 C CYS A 48 -15.223 14.851 2.785 1.00 0.00 C ATOM 718 O CYS A 48 -14.029 14.835 3.007 1.00 0.00 O ATOM 719 CB CYS A 48 -17.112 14.669 4.400 1.00 0.00 C ATOM 720 SG CYS A 48 -16.680 14.251 6.110 1.00 0.00 S ATOM 0 H CYS A 48 -18.032 16.622 3.098 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.629 16.263 4.338 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -18.121 15.081 4.402 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -17.148 13.741 3.829 1.00 0.00 H new ATOM 725 N LYS A 49 -15.789 14.203 1.806 1.00 0.00 N ATOM 726 CA LYS A 49 -14.987 13.361 0.864 1.00 0.00 C ATOM 727 C LYS A 49 -13.720 14.027 0.336 1.00 0.00 C ATOM 728 O LYS A 49 -12.819 13.340 -0.100 1.00 0.00 O ATOM 729 CB LYS A 49 -15.865 12.950 -0.350 1.00 0.00 C ATOM 730 CG LYS A 49 -17.304 12.558 0.077 1.00 0.00 C ATOM 731 CD LYS A 49 -17.893 11.522 -0.915 1.00 0.00 C ATOM 732 CE LYS A 49 -19.146 10.879 -0.292 1.00 0.00 C ATOM 733 NZ LYS A 49 -19.477 9.595 -0.976 1.00 0.00 N ATOM 0 H LYS A 49 -16.790 14.219 1.613 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.669 12.498 1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -15.910 13.776 -1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.399 12.111 -0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.292 12.142 1.084 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.937 13.445 0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -18.149 12.007 -1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.151 10.756 -1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.978 10.698 0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -19.989 11.565 -0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.484 9.377 -0.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.279 9.682 -1.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -18.899 8.829 -0.575 1.00 0.00 H new ATOM 747 N GLY A 50 -13.667 15.333 0.367 1.00 0.00 N ATOM 748 CA GLY A 50 -12.447 16.056 -0.137 1.00 0.00 C ATOM 749 C GLY A 50 -11.862 16.939 0.960 1.00 0.00 C ATOM 750 O GLY A 50 -11.185 17.915 0.698 1.00 0.00 O ATOM 0 H GLY A 50 -14.412 15.935 0.718 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.700 15.335 -0.469 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.709 16.665 -1.002 1.00 0.00 H new ATOM 754 N LYS A 51 -12.146 16.552 2.172 1.00 0.00 N ATOM 755 CA LYS A 51 -11.649 17.310 3.350 1.00 0.00 C ATOM 756 C LYS A 51 -10.567 16.523 4.092 1.00 0.00 C ATOM 757 O LYS A 51 -9.604 17.141 4.511 1.00 0.00 O ATOM 758 CB LYS A 51 -12.881 17.631 4.285 1.00 0.00 C ATOM 759 CG LYS A 51 -13.003 16.672 5.503 1.00 0.00 C ATOM 760 CD LYS A 51 -14.053 17.191 6.502 1.00 0.00 C ATOM 761 CE LYS A 51 -14.102 16.252 7.735 1.00 0.00 C ATOM 762 NZ LYS A 51 -13.895 17.050 8.981 1.00 0.00 N ATOM 0 H LYS A 51 -12.709 15.732 2.397 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.187 18.243 3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.795 18.656 4.647 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.797 17.577 3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.281 15.675 5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.036 16.581 5.998 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.804 18.205 6.814 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.033 17.235 6.026 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.062 15.738 7.776 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.333 15.484 7.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.928 16.419 9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.968 17.521 8.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.644 17.767 9.063 1.00 0.00 H new ATOM 776 N CYS A 52 -10.713 15.221 4.249 1.00 0.00 N ATOM 777 CA CYS A 52 -9.621 14.499 4.987 1.00 0.00 C ATOM 778 C CYS A 52 -8.598 13.724 4.161 1.00 0.00 C ATOM 779 O CYS A 52 -7.486 14.170 3.967 1.00 0.00 O ATOM 780 CB CYS A 52 -10.208 13.497 6.011 1.00 0.00 C ATOM 781 SG CYS A 52 -11.745 13.891 6.876 1.00 0.00 S ATOM 0 H CYS A 52 -11.495 14.655 3.919 1.00 0.00 H new ATOM 0 HA CYS A 52 -9.084 15.330 5.444 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -10.362 12.552 5.490 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -9.444 13.322 6.769 1.00 0.00 H new ATOM 786 N LYS A 53 -8.999 12.572 3.682 1.00 0.00 N ATOM 787 CA LYS A 53 -8.084 11.714 2.877 1.00 0.00 C ATOM 788 C LYS A 53 -8.548 11.250 1.486 1.00 0.00 C ATOM 789 O LYS A 53 -9.034 10.148 1.325 1.00 0.00 O ATOM 790 CB LYS A 53 -7.744 10.495 3.783 1.00 0.00 C ATOM 791 CG LYS A 53 -9.037 9.784 4.335 1.00 0.00 C ATOM 792 CD LYS A 53 -9.118 9.845 5.892 1.00 0.00 C ATOM 793 CE LYS A 53 -10.004 8.680 6.443 1.00 0.00 C ATOM 794 NZ LYS A 53 -9.237 7.907 7.467 1.00 0.00 N ATOM 0 H LYS A 53 -9.934 12.188 3.818 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.231 12.337 2.610 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.151 9.777 3.216 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.129 10.827 4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.921 10.257 3.907 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.044 8.743 4.012 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.116 9.779 6.317 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.534 10.804 6.203 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.917 9.081 6.884 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.306 8.023 5.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.622 6.943 7.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.236 7.861 7.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.318 8.378 8.390 1.00 0.00 H new ATOM 808 N LYS A 54 -8.392 12.092 0.499 1.00 0.00 N ATOM 809 CA LYS A 54 -8.806 11.713 -0.888 1.00 0.00 C ATOM 810 C LYS A 54 -7.640 12.106 -1.804 1.00 0.00 C ATOM 811 O LYS A 54 -7.303 13.268 -1.923 1.00 0.00 O ATOM 812 CB LYS A 54 -10.105 12.467 -1.265 1.00 0.00 C ATOM 813 CG LYS A 54 -10.591 12.108 -2.712 1.00 0.00 C ATOM 814 CD LYS A 54 -10.772 10.572 -2.918 1.00 0.00 C ATOM 815 CE LYS A 54 -11.104 10.262 -4.403 1.00 0.00 C ATOM 816 NZ LYS A 54 -12.581 10.202 -4.617 1.00 0.00 N ATOM 0 H LYS A 54 -7.996 13.027 0.591 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.018 10.648 -0.980 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.888 12.222 -0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.934 13.541 -1.196 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.537 12.612 -2.909 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.871 12.486 -3.438 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.861 10.049 -2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.572 10.204 -2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.670 11.029 -5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.652 9.313 -4.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.779 9.994 -5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.988 9.454 -4.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.006 11.117 -4.363 1.00 0.00 H new ATOM 830 N GLU A 55 -7.042 11.122 -2.425 1.00 0.00 N ATOM 831 CA GLU A 55 -5.888 11.378 -3.345 1.00 0.00 C ATOM 832 C GLU A 55 -6.141 10.765 -4.734 1.00 0.00 C ATOM 833 O GLU A 55 -6.788 9.731 -4.759 1.00 0.00 O ATOM 834 CB GLU A 55 -4.620 10.769 -2.691 1.00 0.00 C ATOM 835 CG GLU A 55 -3.341 11.072 -3.518 1.00 0.00 C ATOM 836 CD GLU A 55 -3.197 12.585 -3.780 1.00 0.00 C ATOM 837 OE1 GLU A 55 -3.087 13.302 -2.798 1.00 0.00 O ATOM 838 OE2 GLU A 55 -3.206 12.941 -4.947 1.00 0.00 O ATOM 839 OXT GLU A 55 -5.671 11.366 -5.686 1.00 0.00 O ATOM 0 H GLU A 55 -7.305 10.141 -2.334 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.757 12.450 -3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.504 11.168 -1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.743 9.690 -2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.464 10.707 -2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.382 10.537 -4.467 1.00 0.00 H new TER 846 GLU A 55