USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 639 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 THR OG1 : rot 83:sc= 1.34 USER MOD Set 1.2: A 62 CYS SG : rot 121:sc= 0.479 USER MOD Set 2.1: A 46 HIS : no HD1:sc= -0.597 K(o=-0.76,f=0.47) USER MOD Set 2.2: A 48 CYS SG : rot 2:sc= -0.167 USER MOD Single : A 6 GLN : amide:sc= -2.33! C(o=-2.3!,f=-8.2!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -2.96! K(o=-3!,f=-0.59) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.51 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -10:sc= 0.86 USER MOD Single : A 44 CYS SG : rot -150:sc= -1.11 USER MOD Single : A 47 ASN : amide:sc= -5.76! K(o=-5.8!,f=-0.45) USER MOD Single : A 55 MET CE :methyl -168:sc= 0 (180deg=-0.153) USER MOD Single : A 56 SER OG : rot 180:sc=-0.00176 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -6:sc= 0.105 USER MOD Single : A 86 SER OG : rot 54:sc= -2.28! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N GLN A 6 -16.349 5.848 -1.465 1.00 0.00 N ATOM 63 CA GLN A 6 -15.166 6.658 -1.679 1.00 0.00 C ATOM 64 C GLN A 6 -13.912 5.781 -1.720 1.00 0.00 C ATOM 65 O GLN A 6 -13.705 4.952 -0.834 1.00 0.00 O ATOM 66 CB GLN A 6 -15.053 7.685 -0.551 1.00 0.00 C ATOM 67 CG GLN A 6 -13.858 8.607 -0.675 1.00 0.00 C ATOM 68 CD GLN A 6 -14.061 9.703 -1.704 1.00 0.00 C ATOM 69 OE1 GLN A 6 -14.327 9.434 -2.874 1.00 0.00 O ATOM 70 NE2 GLN A 6 -13.931 10.951 -1.268 1.00 0.00 N ATOM 0 HA GLN A 6 -15.252 7.172 -2.637 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.962 8.286 -0.528 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.995 7.158 0.402 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.653 9.060 0.295 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.980 8.021 -0.945 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -13.710 11.128 -0.288 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -14.053 11.732 -1.913 1.00 0.00 H new ATOM 79 N PRO A 7 -13.057 5.949 -2.748 1.00 0.00 N ATOM 80 CA PRO A 7 -11.825 5.162 -2.884 1.00 0.00 C ATOM 81 C PRO A 7 -10.976 5.195 -1.616 1.00 0.00 C ATOM 82 O PRO A 7 -10.951 6.200 -0.904 1.00 0.00 O ATOM 83 CB PRO A 7 -11.089 5.846 -4.037 1.00 0.00 C ATOM 84 CG PRO A 7 -12.165 6.489 -4.840 1.00 0.00 C ATOM 85 CD PRO A 7 -13.219 6.911 -3.854 1.00 0.00 C ATOM 0 HA PRO A 7 -12.033 4.107 -3.062 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.374 6.583 -3.670 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.527 5.126 -4.632 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.781 7.347 -5.392 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.573 5.794 -5.574 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.068 7.937 -3.519 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.218 6.861 -4.287 1.00 0.00 H new ATOM 93 N PRO A 8 -10.273 4.090 -1.310 1.00 0.00 N ATOM 94 CA PRO A 8 -9.428 3.999 -0.115 1.00 0.00 C ATOM 95 C PRO A 8 -8.403 5.125 -0.046 1.00 0.00 C ATOM 96 O PRO A 8 -7.676 5.378 -1.007 1.00 0.00 O ATOM 97 CB PRO A 8 -8.724 2.648 -0.270 1.00 0.00 C ATOM 98 CG PRO A 8 -9.607 1.856 -1.169 1.00 0.00 C ATOM 99 CD PRO A 8 -10.249 2.844 -2.099 1.00 0.00 C ATOM 0 HA PRO A 8 -10.013 4.085 0.801 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.729 2.768 -0.699 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.598 2.155 0.694 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.033 1.114 -1.724 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.360 1.314 -0.597 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.676 2.962 -3.019 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.253 2.531 -2.387 1.00 0.00 H new ATOM 107 N LEU A 9 -8.348 5.797 1.100 1.00 0.00 N ATOM 108 CA LEU A 9 -7.409 6.893 1.298 1.00 0.00 C ATOM 109 C LEU A 9 -6.391 6.540 2.377 1.00 0.00 C ATOM 110 O LEU A 9 -6.723 6.477 3.561 1.00 0.00 O ATOM 111 CB LEU A 9 -8.159 8.169 1.688 1.00 0.00 C ATOM 112 CG LEU A 9 -7.278 9.401 1.917 1.00 0.00 C ATOM 113 CD1 LEU A 9 -6.580 9.811 0.628 1.00 0.00 C ATOM 114 CD2 LEU A 9 -8.107 10.552 2.467 1.00 0.00 C ATOM 0 H LEU A 9 -8.943 5.601 1.905 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.879 7.063 0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.882 8.400 0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.726 7.974 2.598 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.514 9.145 2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.960 10.688 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.954 8.991 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.326 10.048 -0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.466 11.420 2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.894 10.806 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.556 10.256 3.415 1.00 0.00 H new ATOM 126 N VAL A 10 -5.150 6.316 1.961 1.00 0.00 N ATOM 127 CA VAL A 10 -4.084 5.976 2.892 1.00 0.00 C ATOM 128 C VAL A 10 -3.639 7.205 3.675 1.00 0.00 C ATOM 129 O VAL A 10 -3.359 8.253 3.092 1.00 0.00 O ATOM 130 CB VAL A 10 -2.871 5.375 2.158 1.00 0.00 C ATOM 131 CG1 VAL A 10 -1.777 4.994 3.144 1.00 0.00 C ATOM 132 CG2 VAL A 10 -3.294 4.171 1.328 1.00 0.00 C ATOM 0 H VAL A 10 -4.858 6.364 0.985 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.482 5.232 3.582 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.468 6.132 1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.930 4.572 2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.453 5.881 3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.162 4.256 3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.425 3.759 0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.724 3.412 1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.036 4.479 0.592 1.00 0.00 H new ATOM 142 N THR A 11 -3.578 7.072 4.997 1.00 0.00 N ATOM 143 CA THR A 11 -3.171 8.175 5.861 1.00 0.00 C ATOM 144 C THR A 11 -2.449 7.662 7.103 1.00 0.00 C ATOM 145 O THR A 11 -2.734 8.094 8.221 1.00 0.00 O ATOM 146 CB THR A 11 -4.384 9.022 6.307 1.00 0.00 C ATOM 147 OG1 THR A 11 -5.315 8.203 7.024 1.00 0.00 O ATOM 148 CG2 THR A 11 -5.082 9.661 5.115 1.00 0.00 C ATOM 0 H THR A 11 -3.806 6.210 5.493 1.00 0.00 H new ATOM 0 HA THR A 11 -2.495 8.798 5.276 1.00 0.00 H new ATOM 0 HB THR A 11 -4.016 9.817 6.956 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.080 8.747 7.305 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.931 10.250 5.463 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.382 10.310 4.588 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.434 8.882 4.439 1.00 0.00 H new ATOM 156 N GLY A 12 -1.512 6.738 6.906 1.00 0.00 N ATOM 157 CA GLY A 12 -0.774 6.190 8.028 1.00 0.00 C ATOM 158 C GLY A 12 0.266 5.165 7.616 1.00 0.00 C ATOM 159 O GLY A 12 0.035 4.358 6.717 1.00 0.00 O ATOM 0 H GLY A 12 -1.253 6.362 5.994 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.282 7.003 8.563 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.474 5.728 8.724 1.00 0.00 H new ATOM 163 N ILE A 13 1.412 5.201 8.288 1.00 0.00 N ATOM 164 CA ILE A 13 2.503 4.273 8.012 1.00 0.00 C ATOM 165 C ILE A 13 3.514 4.290 9.154 1.00 0.00 C ATOM 166 O ILE A 13 3.966 5.354 9.578 1.00 0.00 O ATOM 167 CB ILE A 13 3.218 4.615 6.687 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.360 3.629 6.421 1.00 0.00 C ATOM 169 CG2 ILE A 13 3.740 6.046 6.713 1.00 0.00 C ATOM 170 CD1 ILE A 13 5.008 3.810 5.063 1.00 0.00 C ATOM 0 H ILE A 13 1.610 5.868 9.033 1.00 0.00 H new ATOM 0 HA ILE A 13 2.070 3.277 7.921 1.00 0.00 H new ATOM 0 HB ILE A 13 2.495 4.529 5.876 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.118 3.745 7.195 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.977 2.611 6.500 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.241 6.268 5.771 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.907 6.735 6.852 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.447 6.161 7.535 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.808 3.080 4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.262 3.665 4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.421 4.816 4.988 1.00 0.00 H new ATOM 182 N SER A 14 3.857 3.109 9.661 1.00 0.00 N ATOM 183 CA SER A 14 4.806 3.012 10.764 1.00 0.00 C ATOM 184 C SER A 14 6.202 3.470 10.334 1.00 0.00 C ATOM 185 O SER A 14 6.751 4.404 10.920 1.00 0.00 O ATOM 186 CB SER A 14 4.853 1.583 11.320 1.00 0.00 C ATOM 187 OG SER A 14 5.767 1.486 12.398 1.00 0.00 O ATOM 0 H SER A 14 3.496 2.215 9.329 1.00 0.00 H new ATOM 0 HA SER A 14 4.463 3.677 11.557 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.859 1.286 11.654 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.143 0.891 10.529 1.00 0.00 H new ATOM 0 HG SER A 14 5.778 0.566 12.736 1.00 0.00 H new ATOM 193 N PRO A 15 6.809 2.834 9.307 1.00 0.00 N ATOM 194 CA PRO A 15 8.136 3.211 8.838 1.00 0.00 C ATOM 195 C PRO A 15 8.100 4.292 7.763 1.00 0.00 C ATOM 196 O PRO A 15 7.457 4.129 6.727 1.00 0.00 O ATOM 197 CB PRO A 15 8.667 1.900 8.266 1.00 0.00 C ATOM 198 CG PRO A 15 7.459 1.194 7.742 1.00 0.00 C ATOM 199 CD PRO A 15 6.269 1.700 8.527 1.00 0.00 C ATOM 0 HA PRO A 15 8.749 3.639 9.631 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.394 2.080 7.474 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.169 1.309 9.032 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.330 1.391 6.678 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.564 0.115 7.856 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.462 2.018 7.867 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.862 0.926 9.178 1.00 0.00 H new ATOM 207 N ASN A 16 8.805 5.392 8.011 1.00 0.00 N ATOM 208 CA ASN A 16 8.861 6.492 7.055 1.00 0.00 C ATOM 209 C ASN A 16 10.159 6.425 6.252 1.00 0.00 C ATOM 210 O ASN A 16 10.654 7.439 5.758 1.00 0.00 O ATOM 211 CB ASN A 16 8.757 7.836 7.784 1.00 0.00 C ATOM 212 CG ASN A 16 8.555 9.015 6.843 1.00 0.00 C ATOM 213 OD1 ASN A 16 8.563 10.169 7.271 1.00 0.00 O ATOM 214 ND2 ASN A 16 8.359 8.733 5.557 1.00 0.00 N ATOM 0 H ASN A 16 9.344 5.545 8.863 1.00 0.00 H new ATOM 0 HA ASN A 16 8.019 6.403 6.369 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.927 7.796 8.489 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.664 7.996 8.368 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.208 9.487 4.887 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.360 7.763 5.242 1.00 0.00 H new ATOM 221 N GLU A 17 10.700 5.213 6.129 1.00 0.00 N ATOM 222 CA GLU A 17 11.940 4.984 5.392 1.00 0.00 C ATOM 223 C GLU A 17 12.347 3.513 5.469 1.00 0.00 C ATOM 224 O GLU A 17 12.359 2.921 6.550 1.00 0.00 O ATOM 225 CB GLU A 17 13.067 5.863 5.945 1.00 0.00 C ATOM 226 CG GLU A 17 13.355 5.627 7.421 1.00 0.00 C ATOM 227 CD GLU A 17 14.481 6.497 7.946 1.00 0.00 C ATOM 228 OE1 GLU A 17 15.039 7.291 7.159 1.00 0.00 O ATOM 229 OE2 GLU A 17 14.806 6.385 9.148 1.00 0.00 O ATOM 0 H GLU A 17 10.294 4.369 6.534 1.00 0.00 H new ATOM 0 HA GLU A 17 11.766 5.248 4.349 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.975 5.678 5.372 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.805 6.911 5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.451 5.822 7.999 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.611 4.578 7.574 1.00 0.00 H new ATOM 236 N GLY A 18 12.678 2.925 4.322 1.00 0.00 N ATOM 237 CA GLY A 18 13.077 1.529 4.297 1.00 0.00 C ATOM 238 C GLY A 18 13.161 0.962 2.894 1.00 0.00 C ATOM 239 O GLY A 18 12.331 1.276 2.041 1.00 0.00 O ATOM 0 H GLY A 18 12.677 3.388 3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.047 1.425 4.783 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.365 0.943 4.878 1.00 0.00 H new ATOM 243 N ILE A 19 14.163 0.118 2.660 1.00 0.00 N ATOM 244 CA ILE A 19 14.360 -0.509 1.356 1.00 0.00 C ATOM 245 C ILE A 19 13.118 -1.298 0.933 1.00 0.00 C ATOM 246 O ILE A 19 12.258 -1.595 1.761 1.00 0.00 O ATOM 247 CB ILE A 19 15.588 -1.444 1.364 1.00 0.00 C ATOM 248 CG1 ILE A 19 15.425 -2.536 2.425 1.00 0.00 C ATOM 249 CG2 ILE A 19 16.857 -0.638 1.605 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.550 -3.550 2.434 1.00 0.00 C ATOM 0 H ILE A 19 14.855 -0.148 3.361 1.00 0.00 H new ATOM 0 HA ILE A 19 14.534 0.291 0.637 1.00 0.00 H new ATOM 0 HB ILE A 19 15.667 -1.929 0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.361 -2.069 3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.481 -3.055 2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.718 -1.307 1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 19 16.975 0.101 0.812 1.00 0.00 H new ATOM 0 HG23 ILE A 19 16.788 -0.130 2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.365 -4.292 3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.601 -4.045 1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.495 -3.044 2.633 1.00 0.00 H new ATOM 262 N PRO A 20 12.996 -1.635 -0.366 1.00 0.00 N ATOM 263 CA PRO A 20 11.841 -2.378 -0.887 1.00 0.00 C ATOM 264 C PRO A 20 11.490 -3.612 -0.055 1.00 0.00 C ATOM 265 O PRO A 20 10.316 -3.914 0.153 1.00 0.00 O ATOM 266 CB PRO A 20 12.288 -2.787 -2.290 1.00 0.00 C ATOM 267 CG PRO A 20 13.254 -1.729 -2.696 1.00 0.00 C ATOM 268 CD PRO A 20 13.962 -1.306 -1.438 1.00 0.00 C ATOM 0 HA PRO A 20 10.936 -1.772 -0.866 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.756 -3.772 -2.286 1.00 0.00 H new ATOM 0 HB3 PRO A 20 11.443 -2.838 -2.977 1.00 0.00 H new ATOM 0 HG2 PRO A 20 13.962 -2.109 -3.433 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.738 -0.886 -3.155 1.00 0.00 H new ATOM 0 HD2 PRO A 20 14.902 -1.842 -1.308 1.00 0.00 H new ATOM 0 HD3 PRO A 20 14.200 -0.242 -1.450 1.00 0.00 H new ATOM 276 N TRP A 21 12.505 -4.327 0.411 1.00 0.00 N ATOM 277 CA TRP A 21 12.279 -5.530 1.208 1.00 0.00 C ATOM 278 C TRP A 21 11.732 -5.198 2.594 1.00 0.00 C ATOM 279 O TRP A 21 11.084 -6.032 3.225 1.00 0.00 O ATOM 280 CB TRP A 21 13.565 -6.348 1.330 1.00 0.00 C ATOM 281 CG TRP A 21 14.048 -6.883 0.018 1.00 0.00 C ATOM 282 CD1 TRP A 21 15.182 -6.525 -0.650 1.00 0.00 C ATOM 283 CD2 TRP A 21 13.392 -7.863 -0.795 1.00 0.00 C ATOM 284 NE1 TRP A 21 15.280 -7.232 -1.825 1.00 0.00 N ATOM 285 CE2 TRP A 21 14.191 -8.058 -1.937 1.00 0.00 C ATOM 286 CE3 TRP A 21 12.209 -8.595 -0.664 1.00 0.00 C ATOM 287 CZ2 TRP A 21 13.842 -8.958 -2.943 1.00 0.00 C ATOM 288 CZ3 TRP A 21 11.864 -9.486 -1.663 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.677 -9.661 -2.790 1.00 0.00 C ATOM 0 H TRP A 21 13.487 -4.099 0.254 1.00 0.00 H new ATOM 0 HA TRP A 21 11.529 -6.126 0.688 1.00 0.00 H new ATOM 0 HB2 TRP A 21 14.344 -5.726 1.771 1.00 0.00 H new ATOM 0 HB3 TRP A 21 13.396 -7.179 2.014 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.898 -5.793 -0.306 1.00 0.00 H new ATOM 0 HE1 TRP A 21 16.039 -7.155 -2.503 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.576 -8.467 0.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 14.468 -9.096 -3.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.952 -10.057 -1.573 1.00 0.00 H new ATOM 0 HH2 TRP A 21 12.379 -10.364 -3.553 1.00 0.00 H new ATOM 300 N THR A 22 12.002 -3.985 3.068 1.00 0.00 N ATOM 301 CA THR A 22 11.537 -3.561 4.386 1.00 0.00 C ATOM 302 C THR A 22 10.019 -3.661 4.496 1.00 0.00 C ATOM 303 O THR A 22 9.290 -3.149 3.646 1.00 0.00 O ATOM 304 CB THR A 22 11.967 -2.115 4.698 1.00 0.00 C ATOM 305 OG1 THR A 22 13.395 -2.010 4.664 1.00 0.00 O ATOM 306 CG2 THR A 22 11.455 -1.675 6.062 1.00 0.00 C ATOM 0 H THR A 22 12.538 -3.280 2.562 1.00 0.00 H new ATOM 0 HA THR A 22 11.996 -4.234 5.111 1.00 0.00 H new ATOM 0 HB THR A 22 11.535 -1.462 3.939 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.660 -1.087 4.862 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.773 -0.651 6.257 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.366 -1.726 6.076 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.859 -2.333 6.832 1.00 0.00 H new ATOM 314 N LYS A 23 9.553 -4.318 5.552 1.00 0.00 N ATOM 315 CA LYS A 23 8.124 -4.482 5.781 1.00 0.00 C ATOM 316 C LYS A 23 7.503 -3.170 6.252 1.00 0.00 C ATOM 317 O LYS A 23 8.078 -2.463 7.080 1.00 0.00 O ATOM 318 CB LYS A 23 7.874 -5.586 6.812 1.00 0.00 C ATOM 319 CG LYS A 23 6.400 -5.881 7.046 1.00 0.00 C ATOM 320 CD LYS A 23 6.206 -6.999 8.059 1.00 0.00 C ATOM 321 CE LYS A 23 6.746 -6.617 9.428 1.00 0.00 C ATOM 322 NZ LYS A 23 6.588 -7.719 10.416 1.00 0.00 N ATOM 0 H LYS A 23 10.146 -4.746 6.263 1.00 0.00 H new ATOM 0 HA LYS A 23 7.655 -4.769 4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.370 -6.499 6.482 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.333 -5.298 7.758 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.899 -4.979 7.398 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.930 -6.159 6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.145 -7.237 8.140 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.709 -7.900 7.708 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.801 -6.356 9.342 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.226 -5.729 9.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.969 -7.418 11.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.580 -7.952 10.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.105 -8.558 10.085 1.00 0.00 H new ATOM 336 N VAL A 24 6.331 -2.847 5.715 1.00 0.00 N ATOM 337 CA VAL A 24 5.639 -1.617 6.079 1.00 0.00 C ATOM 338 C VAL A 24 4.159 -1.877 6.334 1.00 0.00 C ATOM 339 O VAL A 24 3.488 -2.542 5.544 1.00 0.00 O ATOM 340 CB VAL A 24 5.786 -0.545 4.977 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.252 -0.239 4.719 1.00 0.00 C ATOM 342 CG2 VAL A 24 5.097 -0.986 3.694 1.00 0.00 C ATOM 0 H VAL A 24 5.841 -3.419 5.027 1.00 0.00 H new ATOM 0 HA VAL A 24 6.101 -1.248 6.995 1.00 0.00 H new ATOM 0 HB VAL A 24 5.301 0.367 5.326 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.334 0.518 3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.713 0.131 5.635 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.762 -1.147 4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.215 -0.214 2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.545 -1.915 3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.036 -1.146 3.887 1.00 0.00 H new ATOM 352 N THR A 25 3.652 -1.350 7.443 1.00 0.00 N ATOM 353 CA THR A 25 2.250 -1.527 7.793 1.00 0.00 C ATOM 354 C THR A 25 1.393 -0.440 7.153 1.00 0.00 C ATOM 355 O THR A 25 1.507 0.737 7.499 1.00 0.00 O ATOM 356 CB THR A 25 2.042 -1.500 9.319 1.00 0.00 C ATOM 357 OG1 THR A 25 2.845 -2.512 9.939 1.00 0.00 O ATOM 358 CG2 THR A 25 0.579 -1.723 9.674 1.00 0.00 C ATOM 0 H THR A 25 4.190 -0.799 8.112 1.00 0.00 H new ATOM 0 HA THR A 25 1.945 -2.503 7.414 1.00 0.00 H new ATOM 0 HB THR A 25 2.342 -0.518 9.685 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.709 -2.488 10.909 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.460 -1.699 10.757 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.028 -0.937 9.225 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.256 -2.693 9.295 1.00 0.00 H new ATOM 366 N ILE A 26 0.534 -0.841 6.224 1.00 0.00 N ATOM 367 CA ILE A 26 -0.343 0.101 5.543 1.00 0.00 C ATOM 368 C ILE A 26 -1.488 0.534 6.451 1.00 0.00 C ATOM 369 O ILE A 26 -2.055 -0.278 7.182 1.00 0.00 O ATOM 370 CB ILE A 26 -0.918 -0.499 4.243 1.00 0.00 C ATOM 371 CG1 ILE A 26 0.213 -0.815 3.260 1.00 0.00 C ATOM 372 CG2 ILE A 26 -1.924 0.457 3.614 1.00 0.00 C ATOM 373 CD1 ILE A 26 -0.258 -1.466 1.975 1.00 0.00 C ATOM 0 H ILE A 26 0.427 -1.811 5.926 1.00 0.00 H new ATOM 0 HA ILE A 26 0.261 0.972 5.287 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.435 -1.427 4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.739 0.108 3.017 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.932 -1.473 3.747 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.320 0.018 2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.741 0.637 4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.432 1.401 3.381 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.599 -1.659 1.330 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.758 -2.407 2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.954 -0.801 1.464 1.00 0.00 H new ATOM 385 N ARG A 27 -1.819 1.818 6.399 1.00 0.00 N ATOM 386 CA ARG A 27 -2.894 2.363 7.216 1.00 0.00 C ATOM 387 C ARG A 27 -3.597 3.498 6.477 1.00 0.00 C ATOM 388 O ARG A 27 -2.947 4.378 5.915 1.00 0.00 O ATOM 389 CB ARG A 27 -2.336 2.870 8.549 1.00 0.00 C ATOM 390 CG ARG A 27 -3.408 3.247 9.559 1.00 0.00 C ATOM 391 CD ARG A 27 -4.208 2.033 10.003 1.00 0.00 C ATOM 392 NE ARG A 27 -5.274 2.389 10.936 1.00 0.00 N ATOM 393 CZ ARG A 27 -6.110 1.505 11.474 1.00 0.00 C ATOM 394 NH1 ARG A 27 -5.995 0.216 11.184 1.00 0.00 N ATOM 395 NH2 ARG A 27 -7.060 1.910 12.305 1.00 0.00 N ATOM 0 H ARG A 27 -1.358 2.501 5.799 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.618 1.573 7.413 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.697 2.100 8.981 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.705 3.739 8.361 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.943 3.715 10.427 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.079 3.985 9.120 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.640 1.544 9.129 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.540 1.312 10.474 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.384 3.371 11.189 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.264 -0.100 10.547 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.638 -0.459 11.598 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.151 2.900 12.532 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.701 1.231 12.717 1.00 0.00 H new ATOM 409 N GLY A 28 -4.925 3.468 6.475 1.00 0.00 N ATOM 410 CA GLY A 28 -5.688 4.498 5.792 1.00 0.00 C ATOM 411 C GLY A 28 -7.166 4.442 6.119 1.00 0.00 C ATOM 412 O GLY A 28 -7.545 4.343 7.286 1.00 0.00 O ATOM 0 H GLY A 28 -5.487 2.750 6.933 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.296 5.477 6.066 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.554 4.391 4.716 1.00 0.00 H new ATOM 416 N GLU A 29 -8.005 4.512 5.087 1.00 0.00 N ATOM 417 CA GLU A 29 -9.451 4.477 5.277 1.00 0.00 C ATOM 418 C GLU A 29 -10.149 3.788 4.106 1.00 0.00 C ATOM 419 O GLU A 29 -9.854 4.062 2.942 1.00 0.00 O ATOM 420 CB GLU A 29 -10.005 5.896 5.435 1.00 0.00 C ATOM 421 CG GLU A 29 -9.394 6.674 6.590 1.00 0.00 C ATOM 422 CD GLU A 29 -9.988 8.061 6.735 1.00 0.00 C ATOM 423 OE1 GLU A 29 -9.875 8.857 5.781 1.00 0.00 O ATOM 424 OE2 GLU A 29 -10.567 8.349 7.803 1.00 0.00 O ATOM 0 H GLU A 29 -7.708 4.593 4.114 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.648 3.906 6.184 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.835 6.446 4.510 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.084 5.840 5.579 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.544 6.120 7.517 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.318 6.757 6.439 1.00 0.00 H new ATOM 431 N ASN A 30 -11.091 2.907 4.432 1.00 0.00 N ATOM 432 CA ASN A 30 -11.865 2.178 3.429 1.00 0.00 C ATOM 433 C ASN A 30 -10.988 1.305 2.533 1.00 0.00 C ATOM 434 O ASN A 30 -11.219 1.221 1.326 1.00 0.00 O ATOM 435 CB ASN A 30 -12.672 3.156 2.571 1.00 0.00 C ATOM 436 CG ASN A 30 -13.666 3.957 3.388 1.00 0.00 C ATOM 437 OD1 ASN A 30 -14.551 3.396 4.036 1.00 0.00 O ATOM 438 ND2 ASN A 30 -13.528 5.277 3.362 1.00 0.00 N ATOM 0 H ASN A 30 -11.339 2.678 5.395 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.541 1.515 3.969 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.990 3.838 2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.204 2.603 1.797 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.169 5.867 3.892 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.781 5.701 2.812 1.00 0.00 H new ATOM 445 N LEU A 31 -10.000 0.636 3.120 1.00 0.00 N ATOM 446 CA LEU A 31 -9.124 -0.248 2.354 1.00 0.00 C ATOM 447 C LEU A 31 -9.774 -1.618 2.177 1.00 0.00 C ATOM 448 O LEU A 31 -9.141 -2.653 2.388 1.00 0.00 O ATOM 449 CB LEU A 31 -7.756 -0.397 3.031 1.00 0.00 C ATOM 450 CG LEU A 31 -6.799 0.786 2.845 1.00 0.00 C ATOM 451 CD1 LEU A 31 -7.370 2.052 3.461 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.439 0.467 3.447 1.00 0.00 C ATOM 0 H LEU A 31 -9.786 0.687 4.116 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.970 0.202 1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.913 -0.552 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.275 -1.296 2.646 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.676 0.958 1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.671 2.875 3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.319 2.293 2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.530 1.897 4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.771 1.317 3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.551 0.265 4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.019 -0.410 2.954 1.00 0.00 H new ATOM 464 N GLY A 32 -11.047 -1.610 1.791 1.00 0.00 N ATOM 465 CA GLY A 32 -11.781 -2.847 1.594 1.00 0.00 C ATOM 466 C GLY A 32 -12.116 -3.537 2.903 1.00 0.00 C ATOM 467 O GLY A 32 -11.224 -3.867 3.684 1.00 0.00 O ATOM 0 H GLY A 32 -11.586 -0.763 1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.703 -2.637 1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.192 -3.521 0.972 1.00 0.00 H new ATOM 471 N THR A 33 -13.407 -3.755 3.141 1.00 0.00 N ATOM 472 CA THR A 33 -13.860 -4.411 4.363 1.00 0.00 C ATOM 473 C THR A 33 -13.879 -5.927 4.200 1.00 0.00 C ATOM 474 O THR A 33 -14.787 -6.603 4.686 1.00 0.00 O ATOM 475 CB THR A 33 -15.267 -3.930 4.768 1.00 0.00 C ATOM 476 OG1 THR A 33 -16.211 -4.257 3.740 1.00 0.00 O ATOM 477 CG2 THR A 33 -15.275 -2.428 5.011 1.00 0.00 C ATOM 0 H THR A 33 -14.157 -3.487 2.504 1.00 0.00 H new ATOM 0 HA THR A 33 -13.152 -4.143 5.148 1.00 0.00 H new ATOM 0 HB THR A 33 -15.548 -4.434 5.693 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.103 -3.950 4.005 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.278 -2.111 5.296 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.577 -2.185 5.812 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.976 -1.910 4.100 1.00 0.00 H new ATOM 485 N GLY A 34 -12.873 -6.456 3.512 1.00 0.00 N ATOM 486 CA GLY A 34 -12.794 -7.888 3.294 1.00 0.00 C ATOM 487 C GLY A 34 -11.701 -8.265 2.311 1.00 0.00 C ATOM 488 O GLY A 34 -11.431 -7.518 1.370 1.00 0.00 O ATOM 0 H GLY A 34 -12.110 -5.918 3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.611 -8.388 4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.753 -8.250 2.923 1.00 0.00 H new ATOM 492 N PRO A 35 -11.050 -9.427 2.501 1.00 0.00 N ATOM 493 CA PRO A 35 -9.980 -9.889 1.609 1.00 0.00 C ATOM 494 C PRO A 35 -10.443 -9.979 0.160 1.00 0.00 C ATOM 495 O PRO A 35 -9.711 -9.611 -0.761 1.00 0.00 O ATOM 496 CB PRO A 35 -9.627 -11.284 2.149 1.00 0.00 C ATOM 497 CG PRO A 35 -10.769 -11.668 3.025 1.00 0.00 C ATOM 498 CD PRO A 35 -11.303 -10.385 3.589 1.00 0.00 C ATOM 0 HA PRO A 35 -9.134 -9.202 1.600 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.497 -11.999 1.336 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.692 -11.264 2.708 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.536 -12.195 2.458 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.443 -12.339 3.820 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -12.364 -10.457 3.827 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.789 -10.101 4.507 1.00 0.00 H new ATOM 506 N THR A 36 -11.664 -10.470 -0.035 1.00 0.00 N ATOM 507 CA THR A 36 -12.232 -10.610 -1.371 1.00 0.00 C ATOM 508 C THR A 36 -12.318 -9.260 -2.078 1.00 0.00 C ATOM 509 O THR A 36 -12.049 -9.159 -3.275 1.00 0.00 O ATOM 510 CB THR A 36 -13.636 -11.240 -1.320 1.00 0.00 C ATOM 511 OG1 THR A 36 -14.514 -10.421 -0.538 1.00 0.00 O ATOM 512 CG2 THR A 36 -13.581 -12.642 -0.729 1.00 0.00 C ATOM 0 H THR A 36 -12.280 -10.778 0.718 1.00 0.00 H new ATOM 0 HA THR A 36 -11.566 -11.267 -1.930 1.00 0.00 H new ATOM 0 HB THR A 36 -14.015 -11.308 -2.340 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.405 -10.828 -0.512 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.585 -13.066 -0.704 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.937 -13.271 -1.344 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.182 -12.594 0.284 1.00 0.00 H new ATOM 520 N ASP A 37 -12.697 -8.227 -1.330 1.00 0.00 N ATOM 521 CA ASP A 37 -12.819 -6.883 -1.886 1.00 0.00 C ATOM 522 C ASP A 37 -11.496 -6.420 -2.485 1.00 0.00 C ATOM 523 O ASP A 37 -11.459 -5.876 -3.589 1.00 0.00 O ATOM 524 CB ASP A 37 -13.278 -5.901 -0.805 1.00 0.00 C ATOM 525 CG ASP A 37 -14.636 -6.261 -0.236 1.00 0.00 C ATOM 526 OD1 ASP A 37 -14.770 -7.370 0.324 1.00 0.00 O ATOM 527 OD2 ASP A 37 -15.567 -5.435 -0.350 1.00 0.00 O ATOM 0 H ASP A 37 -12.925 -8.295 -0.338 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.565 -6.911 -2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.543 -5.882 0.000 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -13.318 -4.896 -1.224 1.00 0.00 H new ATOM 532 N LEU A 38 -10.409 -6.646 -1.752 1.00 0.00 N ATOM 533 CA LEU A 38 -9.082 -6.259 -2.216 1.00 0.00 C ATOM 534 C LEU A 38 -8.751 -6.997 -3.510 1.00 0.00 C ATOM 535 O LEU A 38 -8.970 -8.205 -3.616 1.00 0.00 O ATOM 536 CB LEU A 38 -8.038 -6.581 -1.139 1.00 0.00 C ATOM 537 CG LEU A 38 -6.816 -5.656 -1.094 1.00 0.00 C ATOM 538 CD1 LEU A 38 -5.885 -6.068 0.033 1.00 0.00 C ATOM 539 CD2 LEU A 38 -6.071 -5.658 -2.421 1.00 0.00 C ATOM 0 H LEU A 38 -10.422 -7.094 -0.836 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.068 -5.186 -2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.528 -6.552 -0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.691 -7.603 -1.291 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.170 -4.642 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.022 -5.403 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.414 -6.005 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.550 -7.093 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.210 -4.992 -2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.732 -6.669 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.737 -5.314 -3.213 1.00 0.00 H new ATOM 551 N ILE A 39 -8.233 -6.270 -4.496 1.00 0.00 N ATOM 552 CA ILE A 39 -7.888 -6.870 -5.781 1.00 0.00 C ATOM 553 C ILE A 39 -6.614 -6.265 -6.364 1.00 0.00 C ATOM 554 O ILE A 39 -5.748 -6.986 -6.859 1.00 0.00 O ATOM 555 CB ILE A 39 -9.033 -6.714 -6.803 1.00 0.00 C ATOM 556 CG1 ILE A 39 -9.433 -5.241 -6.940 1.00 0.00 C ATOM 557 CG2 ILE A 39 -10.230 -7.563 -6.393 1.00 0.00 C ATOM 558 CD1 ILE A 39 -10.519 -4.996 -7.967 1.00 0.00 C ATOM 0 H ILE A 39 -8.044 -5.270 -4.431 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.720 -7.930 -5.590 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.682 -7.063 -7.774 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.773 -4.875 -5.971 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.552 -4.658 -7.210 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.029 -7.442 -7.124 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.934 -8.611 -6.349 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.584 -7.244 -5.413 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.748 -3.931 -8.007 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.176 -5.330 -8.946 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.415 -5.550 -7.688 1.00 0.00 H new ATOM 570 N GLY A 40 -6.504 -4.942 -6.310 1.00 0.00 N ATOM 571 CA GLY A 40 -5.330 -4.277 -6.843 1.00 0.00 C ATOM 572 C GLY A 40 -4.368 -3.833 -5.760 1.00 0.00 C ATOM 573 O GLY A 40 -4.781 -3.282 -4.740 1.00 0.00 O ATOM 0 H GLY A 40 -7.205 -4.320 -5.908 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.815 -4.951 -7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.641 -3.409 -7.425 1.00 0.00 H new ATOM 577 N LEU A 41 -3.081 -4.067 -5.986 1.00 0.00 N ATOM 578 CA LEU A 41 -2.055 -3.681 -5.028 1.00 0.00 C ATOM 579 C LEU A 41 -0.761 -3.347 -5.761 1.00 0.00 C ATOM 580 O LEU A 41 -0.280 -4.133 -6.578 1.00 0.00 O ATOM 581 CB LEU A 41 -1.823 -4.815 -4.017 1.00 0.00 C ATOM 582 CG LEU A 41 -1.094 -4.426 -2.722 1.00 0.00 C ATOM 583 CD1 LEU A 41 0.338 -3.994 -3.001 1.00 0.00 C ATOM 584 CD2 LEU A 41 -1.852 -3.326 -1.993 1.00 0.00 C ATOM 0 H LEU A 41 -2.724 -4.523 -6.826 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.388 -2.796 -4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.790 -5.241 -3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.252 -5.602 -4.509 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.057 -5.307 -2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.826 -3.725 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.881 -4.814 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.335 -3.132 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.321 -3.063 -1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.926 -2.448 -2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.853 -3.678 -1.743 1.00 0.00 H new ATOM 596 N THR A 42 -0.207 -2.174 -5.470 1.00 0.00 N ATOM 597 CA THR A 42 1.027 -1.734 -6.108 1.00 0.00 C ATOM 598 C THR A 42 1.693 -0.618 -5.311 1.00 0.00 C ATOM 599 O THR A 42 1.033 0.319 -4.861 1.00 0.00 O ATOM 600 CB THR A 42 0.770 -1.233 -7.544 1.00 0.00 C ATOM 601 OG1 THR A 42 0.213 -2.283 -8.341 1.00 0.00 O ATOM 602 CG2 THR A 42 2.058 -0.735 -8.185 1.00 0.00 C ATOM 0 H THR A 42 -0.593 -1.512 -4.797 1.00 0.00 H new ATOM 0 HA THR A 42 1.688 -2.600 -6.142 1.00 0.00 H new ATOM 0 HB THR A 42 0.064 -0.404 -7.491 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.269 -3.130 -7.851 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.850 -0.387 -9.197 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.464 0.087 -7.595 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.784 -1.548 -8.223 1.00 0.00 H new ATOM 610 N ILE A 43 3.006 -0.724 -5.150 1.00 0.00 N ATOM 611 CA ILE A 43 3.773 0.274 -4.420 1.00 0.00 C ATOM 612 C ILE A 43 4.979 0.720 -5.239 1.00 0.00 C ATOM 613 O ILE A 43 5.731 -0.108 -5.753 1.00 0.00 O ATOM 614 CB ILE A 43 4.256 -0.269 -3.061 1.00 0.00 C ATOM 615 CG1 ILE A 43 3.060 -0.665 -2.192 1.00 0.00 C ATOM 616 CG2 ILE A 43 5.116 0.768 -2.350 1.00 0.00 C ATOM 617 CD1 ILE A 43 3.453 -1.269 -0.860 1.00 0.00 C ATOM 0 H ILE A 43 3.563 -1.495 -5.518 1.00 0.00 H new ATOM 0 HA ILE A 43 3.115 1.124 -4.241 1.00 0.00 H new ATOM 0 HB ILE A 43 4.864 -1.157 -3.236 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.443 0.216 -2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.445 -1.380 -2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.449 0.369 -1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.984 1.005 -2.966 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.531 1.673 -2.183 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.555 -1.525 -0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.045 -2.169 -1.029 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.042 -0.548 -0.293 1.00 0.00 H new ATOM 629 N CYS A 44 5.151 2.032 -5.361 1.00 0.00 N ATOM 630 CA CYS A 44 6.261 2.590 -6.124 1.00 0.00 C ATOM 631 C CYS A 44 6.252 2.057 -7.555 1.00 0.00 C ATOM 632 O CYS A 44 7.300 1.742 -8.121 1.00 0.00 O ATOM 633 CB CYS A 44 7.593 2.258 -5.448 1.00 0.00 C ATOM 634 SG CYS A 44 7.716 2.830 -3.738 1.00 0.00 S ATOM 0 H CYS A 44 4.536 2.729 -4.941 1.00 0.00 H new ATOM 0 HA CYS A 44 6.143 3.673 -6.156 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.740 1.178 -5.470 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.403 2.702 -6.027 1.00 0.00 H new ATOM 0 HG CYS A 44 8.957 3.095 -3.457 1.00 0.00 H new ATOM 640 N GLY A 45 5.058 1.960 -8.132 1.00 0.00 N ATOM 641 CA GLY A 45 4.919 1.466 -9.491 1.00 0.00 C ATOM 642 C GLY A 45 5.370 0.025 -9.644 1.00 0.00 C ATOM 643 O GLY A 45 5.809 -0.380 -10.720 1.00 0.00 O ATOM 0 H GLY A 45 4.180 2.216 -7.680 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.876 1.550 -9.798 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.501 2.097 -10.163 1.00 0.00 H new ATOM 647 N HIS A 46 5.250 -0.753 -8.572 1.00 0.00 N ATOM 648 CA HIS A 46 5.642 -2.159 -8.605 1.00 0.00 C ATOM 649 C HIS A 46 4.539 -3.045 -8.030 1.00 0.00 C ATOM 650 O HIS A 46 4.012 -2.773 -6.952 1.00 0.00 O ATOM 651 CB HIS A 46 6.938 -2.375 -7.823 1.00 0.00 C ATOM 652 CG HIS A 46 7.451 -3.779 -7.898 1.00 0.00 C ATOM 653 ND1 HIS A 46 7.833 -4.380 -9.079 1.00 0.00 N ATOM 654 CD2 HIS A 46 7.641 -4.707 -6.929 1.00 0.00 C ATOM 655 CE1 HIS A 46 8.235 -5.614 -8.834 1.00 0.00 C ATOM 656 NE2 HIS A 46 8.128 -5.836 -7.538 1.00 0.00 N ATOM 0 H HIS A 46 4.886 -0.436 -7.673 1.00 0.00 H new ATOM 0 HA HIS A 46 5.806 -2.435 -9.647 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.701 -1.696 -8.204 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.771 -2.112 -6.778 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.446 -4.581 -5.874 1.00 0.00 H new ATOM 0 HE1 HIS A 46 8.591 -6.321 -9.569 1.00 0.00 H new ATOM 0 HE2 HIS A 46 8.369 -6.707 -7.065 1.00 0.00 H new ATOM 665 N ASN A 47 4.198 -4.106 -8.755 1.00 0.00 N ATOM 666 CA ASN A 47 3.160 -5.033 -8.317 1.00 0.00 C ATOM 667 C ASN A 47 3.600 -5.778 -7.057 1.00 0.00 C ATOM 668 O ASN A 47 4.718 -6.289 -6.989 1.00 0.00 O ATOM 669 CB ASN A 47 2.842 -6.033 -9.435 1.00 0.00 C ATOM 670 CG ASN A 47 1.651 -6.925 -9.123 1.00 0.00 C ATOM 671 OD1 ASN A 47 1.345 -7.847 -9.879 1.00 0.00 O ATOM 672 ND2 ASN A 47 0.963 -6.651 -8.019 1.00 0.00 N ATOM 0 H ASN A 47 4.626 -4.345 -9.649 1.00 0.00 H new ATOM 0 HA ASN A 47 2.262 -4.461 -8.084 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.646 -5.486 -10.357 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.717 -6.657 -9.615 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.149 -7.214 -7.772 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.249 -5.878 -7.418 1.00 0.00 H new ATOM 679 N CYS A 48 2.713 -5.840 -6.065 1.00 0.00 N ATOM 680 CA CYS A 48 3.010 -6.525 -4.810 1.00 0.00 C ATOM 681 C CYS A 48 1.732 -7.047 -4.156 1.00 0.00 C ATOM 682 O CYS A 48 1.585 -7.004 -2.934 1.00 0.00 O ATOM 683 CB CYS A 48 3.730 -5.580 -3.843 1.00 0.00 C ATOM 684 SG CYS A 48 5.332 -4.983 -4.433 1.00 0.00 S ATOM 0 H CYS A 48 1.783 -5.424 -6.107 1.00 0.00 H new ATOM 0 HA CYS A 48 3.658 -7.371 -5.037 1.00 0.00 H new ATOM 0 HB2 CYS A 48 3.087 -4.722 -3.646 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.875 -6.094 -2.893 1.00 0.00 H new ATOM 0 HG CYS A 48 5.560 -5.455 -5.623 1.00 0.00 H new ATOM 690 N LEU A 49 0.812 -7.540 -4.977 1.00 0.00 N ATOM 691 CA LEU A 49 -0.454 -8.071 -4.483 1.00 0.00 C ATOM 692 C LEU A 49 -0.262 -9.435 -3.820 1.00 0.00 C ATOM 693 O LEU A 49 -0.849 -9.715 -2.775 1.00 0.00 O ATOM 694 CB LEU A 49 -1.463 -8.182 -5.630 1.00 0.00 C ATOM 695 CG LEU A 49 -2.804 -8.821 -5.263 1.00 0.00 C ATOM 696 CD1 LEU A 49 -3.586 -7.928 -4.310 1.00 0.00 C ATOM 697 CD2 LEU A 49 -3.616 -9.109 -6.517 1.00 0.00 C ATOM 0 H LEU A 49 0.919 -7.583 -5.990 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.838 -7.381 -3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.651 -7.183 -6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.011 -8.762 -6.434 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.606 -9.765 -4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.536 -8.403 -4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.009 -7.775 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.774 -6.965 -4.785 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.567 -9.563 -6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.802 -8.178 -7.052 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.062 -9.793 -7.160 1.00 0.00 H new ATOM 709 N LEU A 50 0.550 -10.283 -4.445 1.00 0.00 N ATOM 710 CA LEU A 50 0.812 -11.626 -3.930 1.00 0.00 C ATOM 711 C LEU A 50 1.291 -11.590 -2.478 1.00 0.00 C ATOM 712 O LEU A 50 0.894 -12.427 -1.667 1.00 0.00 O ATOM 713 CB LEU A 50 1.848 -12.353 -4.800 1.00 0.00 C ATOM 714 CG LEU A 50 3.277 -11.796 -4.750 1.00 0.00 C ATOM 715 CD1 LEU A 50 4.245 -12.768 -5.406 1.00 0.00 C ATOM 716 CD2 LEU A 50 3.360 -10.438 -5.431 1.00 0.00 C ATOM 0 H LEU A 50 1.040 -10.064 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.130 -12.172 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.876 -13.400 -4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.506 -12.329 -5.835 1.00 0.00 H new ATOM 0 HG LEU A 50 3.553 -11.670 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.255 -12.360 -5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.216 -13.722 -4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.959 -12.920 -6.447 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.384 -10.068 -5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.061 -10.535 -6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.695 -9.737 -4.927 1.00 0.00 H new ATOM 728 N THR A 51 2.150 -10.628 -2.159 1.00 0.00 N ATOM 729 CA THR A 51 2.685 -10.499 -0.807 1.00 0.00 C ATOM 730 C THR A 51 1.692 -9.813 0.127 1.00 0.00 C ATOM 731 O THR A 51 1.616 -10.139 1.311 1.00 0.00 O ATOM 732 CB THR A 51 4.009 -9.710 -0.799 1.00 0.00 C ATOM 733 OG1 THR A 51 3.815 -8.422 -1.393 1.00 0.00 O ATOM 734 CG2 THR A 51 5.097 -10.464 -1.552 1.00 0.00 C ATOM 0 H THR A 51 2.491 -9.927 -2.817 1.00 0.00 H new ATOM 0 HA THR A 51 2.868 -11.512 -0.449 1.00 0.00 H new ATOM 0 HB THR A 51 4.326 -9.588 0.237 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.452 -7.805 -0.724 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.021 -9.886 -1.532 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.264 -11.431 -1.078 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.786 -10.615 -2.586 1.00 0.00 H new ATOM 742 N ALA A 52 0.939 -8.858 -0.413 1.00 0.00 N ATOM 743 CA ALA A 52 -0.045 -8.120 0.376 1.00 0.00 C ATOM 744 C ALA A 52 -1.021 -9.060 1.081 1.00 0.00 C ATOM 745 O ALA A 52 -1.531 -10.007 0.483 1.00 0.00 O ATOM 746 CB ALA A 52 -0.804 -7.144 -0.510 1.00 0.00 C ATOM 0 H ALA A 52 0.991 -8.577 -1.392 1.00 0.00 H new ATOM 0 HA ALA A 52 0.494 -7.564 1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.534 -6.600 0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.104 -6.438 -0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.319 -7.693 -1.298 1.00 0.00 H new ATOM 752 N GLU A 53 -1.275 -8.781 2.356 1.00 0.00 N ATOM 753 CA GLU A 53 -2.192 -9.589 3.154 1.00 0.00 C ATOM 754 C GLU A 53 -3.259 -8.712 3.800 1.00 0.00 C ATOM 755 O GLU A 53 -2.951 -7.670 4.380 1.00 0.00 O ATOM 756 CB GLU A 53 -1.422 -10.355 4.233 1.00 0.00 C ATOM 757 CG GLU A 53 -2.300 -11.257 5.085 1.00 0.00 C ATOM 758 CD GLU A 53 -3.005 -12.325 4.271 1.00 0.00 C ATOM 759 OE1 GLU A 53 -2.308 -13.144 3.636 1.00 0.00 O ATOM 760 OE2 GLU A 53 -4.254 -12.342 4.269 1.00 0.00 O ATOM 0 H GLU A 53 -0.857 -7.999 2.860 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.682 -10.303 2.493 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.650 -10.959 3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.913 -9.641 4.880 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.689 -11.734 5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.043 -10.650 5.602 1.00 0.00 H new ATOM 767 N TRP A 54 -4.513 -9.138 3.694 1.00 0.00 N ATOM 768 CA TRP A 54 -5.628 -8.391 4.266 1.00 0.00 C ATOM 769 C TRP A 54 -5.609 -8.459 5.791 1.00 0.00 C ATOM 770 O TRP A 54 -5.122 -9.430 6.372 1.00 0.00 O ATOM 771 CB TRP A 54 -6.958 -8.936 3.744 1.00 0.00 C ATOM 772 CG TRP A 54 -8.124 -8.052 4.063 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.550 -6.968 3.350 1.00 0.00 C ATOM 774 CD2 TRP A 54 -8.997 -8.158 5.193 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.648 -6.407 3.956 1.00 0.00 N ATOM 776 CE2 TRP A 54 -9.939 -7.116 5.091 1.00 0.00 C ATOM 777 CE3 TRP A 54 -9.078 -9.036 6.277 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -10.949 -6.931 6.033 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -10.078 -8.849 7.212 1.00 0.00 C ATOM 780 CH2 TRP A 54 -11.002 -7.804 7.084 1.00 0.00 C ATOM 0 H TRP A 54 -4.783 -9.998 3.217 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.522 -7.349 3.963 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.892 -9.063 2.663 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -7.131 -9.924 4.171 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.091 -6.605 2.442 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -10.163 -5.595 3.616 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.372 -9.846 6.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.664 -6.127 5.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -10.148 -9.520 8.056 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.773 -7.685 7.831 1.00 0.00 H new ATOM 791 N MET A 55 -6.148 -7.426 6.434 1.00 0.00 N ATOM 792 CA MET A 55 -6.200 -7.369 7.893 1.00 0.00 C ATOM 793 C MET A 55 -7.500 -6.728 8.367 1.00 0.00 C ATOM 794 O MET A 55 -8.140 -7.219 9.298 1.00 0.00 O ATOM 795 CB MET A 55 -5.014 -6.578 8.445 1.00 0.00 C ATOM 796 CG MET A 55 -3.673 -7.270 8.267 1.00 0.00 C ATOM 797 SD MET A 55 -3.574 -8.830 9.163 1.00 0.00 S ATOM 798 CE MET A 55 -1.867 -9.279 8.867 1.00 0.00 C ATOM 0 H MET A 55 -6.556 -6.616 5.967 1.00 0.00 H new ATOM 0 HA MET A 55 -6.153 -8.392 8.265 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.978 -5.606 7.953 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.177 -6.392 9.507 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.501 -7.453 7.206 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.878 -6.607 8.609 1.00 0.00 H new ATOM 0 HE1 MET A 55 -1.705 -10.313 9.171 1.00 0.00 H new ATOM 0 HE2 MET A 55 -1.642 -9.173 7.806 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.213 -8.625 9.444 1.00 0.00 H new ATOM 808 N SER A 56 -7.882 -5.632 7.723 1.00 0.00 N ATOM 809 CA SER A 56 -9.106 -4.923 8.080 1.00 0.00 C ATOM 810 C SER A 56 -9.489 -3.926 6.993 1.00 0.00 C ATOM 811 O SER A 56 -8.961 -3.973 5.881 1.00 0.00 O ATOM 812 CB SER A 56 -8.926 -4.196 9.414 1.00 0.00 C ATOM 813 OG SER A 56 -7.887 -3.236 9.337 1.00 0.00 O ATOM 0 H SER A 56 -7.362 -5.214 6.951 1.00 0.00 H new ATOM 0 HA SER A 56 -9.908 -5.655 8.178 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.859 -3.705 9.693 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.700 -4.919 10.198 1.00 0.00 H new ATOM 0 HG SER A 56 -7.794 -2.785 10.202 1.00 0.00 H new ATOM 819 N ALA A 57 -10.409 -3.024 7.318 1.00 0.00 N ATOM 820 CA ALA A 57 -10.859 -2.018 6.364 1.00 0.00 C ATOM 821 C ALA A 57 -9.978 -0.774 6.415 1.00 0.00 C ATOM 822 O ALA A 57 -10.445 0.336 6.153 1.00 0.00 O ATOM 823 CB ALA A 57 -12.312 -1.656 6.632 1.00 0.00 C ATOM 0 H ALA A 57 -10.857 -2.969 8.233 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.779 -2.439 5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.638 -0.904 5.914 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.933 -2.546 6.532 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.407 -1.258 7.642 1.00 0.00 H new ATOM 829 N SER A 58 -8.702 -0.967 6.745 1.00 0.00 N ATOM 830 CA SER A 58 -7.753 0.141 6.824 1.00 0.00 C ATOM 831 C SER A 58 -6.370 -0.351 7.244 1.00 0.00 C ATOM 832 O SER A 58 -5.662 0.325 7.988 1.00 0.00 O ATOM 833 CB SER A 58 -8.245 1.197 7.818 1.00 0.00 C ATOM 834 OG SER A 58 -8.401 0.646 9.114 1.00 0.00 O ATOM 0 H SER A 58 -8.302 -1.880 6.962 1.00 0.00 H new ATOM 0 HA SER A 58 -7.679 0.587 5.832 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.536 2.024 7.854 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.196 1.607 7.477 1.00 0.00 H new ATOM 0 HG SER A 58 -8.714 1.341 9.730 1.00 0.00 H new ATOM 840 N LYS A 59 -5.988 -1.528 6.759 1.00 0.00 N ATOM 841 CA LYS A 59 -4.684 -2.100 7.086 1.00 0.00 C ATOM 842 C LYS A 59 -4.334 -3.239 6.136 1.00 0.00 C ATOM 843 O LYS A 59 -5.149 -4.131 5.898 1.00 0.00 O ATOM 844 CB LYS A 59 -4.669 -2.608 8.529 1.00 0.00 C ATOM 845 CG LYS A 59 -3.324 -3.173 8.957 1.00 0.00 C ATOM 846 CD LYS A 59 -3.369 -3.731 10.372 1.00 0.00 C ATOM 847 CE LYS A 59 -3.678 -2.652 11.397 1.00 0.00 C ATOM 848 NZ LYS A 59 -3.719 -3.199 12.782 1.00 0.00 N ATOM 0 H LYS A 59 -6.559 -2.104 6.140 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.937 -1.313 6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.940 -1.790 9.197 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.431 -3.379 8.643 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.024 -3.960 8.265 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.566 -2.392 8.899 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.125 -4.514 10.430 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.412 -4.195 10.610 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.923 -1.868 11.338 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.636 -2.190 11.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.932 -2.433 13.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.457 -3.929 12.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.796 -3.618 13.017 1.00 0.00 H new ATOM 862 N ILE A 60 -3.116 -3.207 5.599 1.00 0.00 N ATOM 863 CA ILE A 60 -2.655 -4.239 4.676 1.00 0.00 C ATOM 864 C ILE A 60 -1.141 -4.413 4.767 1.00 0.00 C ATOM 865 O ILE A 60 -0.382 -3.507 4.427 1.00 0.00 O ATOM 866 CB ILE A 60 -3.020 -3.896 3.213 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.531 -3.699 3.061 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.531 -4.988 2.272 1.00 0.00 C ATOM 869 CD1 ILE A 60 -4.949 -3.226 1.684 1.00 0.00 C ATOM 0 H ILE A 60 -2.430 -2.476 5.788 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.154 -5.164 4.964 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.525 -2.961 2.949 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.035 -4.640 3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.870 -2.976 3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.796 -4.730 1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.448 -5.081 2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.998 -5.936 2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.032 -3.109 1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.474 -2.269 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.642 -3.959 0.939 1.00 0.00 H new ATOM 881 N VAL A 61 -0.706 -5.587 5.214 1.00 0.00 N ATOM 882 CA VAL A 61 0.718 -5.876 5.330 1.00 0.00 C ATOM 883 C VAL A 61 1.293 -6.251 3.970 1.00 0.00 C ATOM 884 O VAL A 61 0.738 -7.093 3.267 1.00 0.00 O ATOM 885 CB VAL A 61 0.985 -7.020 6.327 1.00 0.00 C ATOM 886 CG1 VAL A 61 2.479 -7.268 6.472 1.00 0.00 C ATOM 887 CG2 VAL A 61 0.356 -6.709 7.677 1.00 0.00 C ATOM 0 H VAL A 61 -1.318 -6.351 5.501 1.00 0.00 H new ATOM 0 HA VAL A 61 1.204 -4.974 5.701 1.00 0.00 H new ATOM 0 HB VAL A 61 0.527 -7.929 5.938 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.646 -8.079 7.180 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.898 -7.540 5.503 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.964 -6.363 6.836 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.555 -7.528 8.368 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.783 -5.788 8.074 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.721 -6.588 7.558 1.00 0.00 H new ATOM 897 N CYS A 62 2.402 -5.621 3.596 1.00 0.00 N ATOM 898 CA CYS A 62 3.028 -5.898 2.307 1.00 0.00 C ATOM 899 C CYS A 62 4.398 -5.241 2.201 1.00 0.00 C ATOM 900 O CYS A 62 4.655 -4.206 2.817 1.00 0.00 O ATOM 901 CB CYS A 62 2.133 -5.405 1.170 1.00 0.00 C ATOM 902 SG CYS A 62 2.799 -5.715 -0.481 1.00 0.00 S ATOM 0 H CYS A 62 2.883 -4.921 4.161 1.00 0.00 H new ATOM 0 HA CYS A 62 3.159 -6.977 2.227 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.159 -5.887 1.254 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.970 -4.334 1.289 1.00 0.00 H new ATOM 0 HG CYS A 62 1.965 -6.451 -1.154 1.00 0.00 H new ATOM 908 N ARG A 63 5.270 -5.848 1.404 1.00 0.00 N ATOM 909 CA ARG A 63 6.613 -5.325 1.200 1.00 0.00 C ATOM 910 C ARG A 63 6.601 -4.250 0.117 1.00 0.00 C ATOM 911 O ARG A 63 6.051 -4.454 -0.966 1.00 0.00 O ATOM 912 CB ARG A 63 7.566 -6.459 0.811 1.00 0.00 C ATOM 913 CG ARG A 63 7.181 -7.163 -0.481 1.00 0.00 C ATOM 914 CD ARG A 63 8.050 -8.385 -0.737 1.00 0.00 C ATOM 915 NE ARG A 63 7.741 -9.011 -2.021 1.00 0.00 N ATOM 916 CZ ARG A 63 8.260 -10.168 -2.425 1.00 0.00 C ATOM 917 NH1 ARG A 63 9.082 -10.844 -1.634 1.00 0.00 N ATOM 918 NH2 ARG A 63 7.946 -10.656 -3.618 1.00 0.00 N ATOM 0 H ARG A 63 5.069 -6.705 0.888 1.00 0.00 H new ATOM 0 HA ARG A 63 6.961 -4.878 2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.574 -6.056 0.709 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.595 -7.191 1.619 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.135 -7.464 -0.433 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.275 -6.468 -1.316 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.100 -8.095 -0.718 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.905 -9.109 0.065 1.00 0.00 H new ATOM 0 HE ARG A 63 7.090 -8.533 -2.644 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.319 -10.478 -0.712 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.478 -11.730 -1.948 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.307 -10.144 -4.226 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.344 -11.543 -3.927 1.00 0.00 H new ATOM 932 N VAL A 64 7.200 -3.102 0.419 1.00 0.00 N ATOM 933 CA VAL A 64 7.248 -1.994 -0.527 1.00 0.00 C ATOM 934 C VAL A 64 7.935 -2.396 -1.829 1.00 0.00 C ATOM 935 O VAL A 64 9.044 -2.927 -1.824 1.00 0.00 O ATOM 936 CB VAL A 64 7.960 -0.770 0.080 1.00 0.00 C ATOM 937 CG1 VAL A 64 7.050 -0.071 1.077 1.00 0.00 C ATOM 938 CG2 VAL A 64 9.262 -1.183 0.752 1.00 0.00 C ATOM 0 H VAL A 64 7.658 -2.916 1.311 1.00 0.00 H new ATOM 0 HA VAL A 64 6.215 -1.725 -0.750 1.00 0.00 H new ATOM 0 HB VAL A 64 8.196 -0.075 -0.726 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.566 0.792 1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.143 0.260 0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.788 -0.763 1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.749 -0.304 1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.050 -1.897 1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.921 -1.644 0.016 1.00 0.00 H new ATOM 1052 N GLY A 72 6.323 7.657 -5.006 1.00 0.00 N ATOM 1053 CA GLY A 72 6.126 6.655 -3.973 1.00 0.00 C ATOM 1054 C GLY A 72 4.732 6.703 -3.382 1.00 0.00 C ATOM 1055 O GLY A 72 4.556 6.563 -2.172 1.00 0.00 O ATOM 0 HA2 GLY A 72 6.307 5.665 -4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.859 6.805 -3.181 1.00 0.00 H new ATOM 1059 N ASP A 73 3.738 6.902 -4.243 1.00 0.00 N ATOM 1060 CA ASP A 73 2.347 6.971 -3.809 1.00 0.00 C ATOM 1061 C ASP A 73 1.764 5.574 -3.616 1.00 0.00 C ATOM 1062 O ASP A 73 1.944 4.695 -4.459 1.00 0.00 O ATOM 1063 CB ASP A 73 1.515 7.745 -4.833 1.00 0.00 C ATOM 1064 CG ASP A 73 0.099 8.000 -4.359 1.00 0.00 C ATOM 1065 OD1 ASP A 73 -0.624 7.020 -4.087 1.00 0.00 O ATOM 1066 OD2 ASP A 73 -0.289 9.184 -4.261 1.00 0.00 O ATOM 0 H ASP A 73 3.871 7.018 -5.248 1.00 0.00 H new ATOM 0 HA ASP A 73 2.316 7.491 -2.852 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.001 8.698 -5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.486 7.187 -5.769 1.00 0.00 H new ATOM 1071 N ILE A 74 1.058 5.380 -2.507 1.00 0.00 N ATOM 1072 CA ILE A 74 0.437 4.095 -2.212 1.00 0.00 C ATOM 1073 C ILE A 74 -0.934 4.003 -2.878 1.00 0.00 C ATOM 1074 O ILE A 74 -1.743 4.925 -2.778 1.00 0.00 O ATOM 1075 CB ILE A 74 0.289 3.880 -0.692 1.00 0.00 C ATOM 1076 CG1 ILE A 74 1.660 3.979 -0.012 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.359 2.532 -0.404 1.00 0.00 C ATOM 1078 CD1 ILE A 74 1.608 3.862 1.497 1.00 0.00 C ATOM 0 H ILE A 74 0.902 6.097 -1.798 1.00 0.00 H new ATOM 0 HA ILE A 74 1.086 3.315 -2.609 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.357 4.659 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.307 3.195 -0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.118 4.932 -0.277 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.455 2.397 0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.347 2.497 -0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.261 1.735 -0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.616 3.942 1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.989 4.662 1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.181 2.898 1.773 1.00 0.00 H new ATOM 1090 N ILE A 75 -1.188 2.892 -3.563 1.00 0.00 N ATOM 1091 CA ILE A 75 -2.462 2.697 -4.252 1.00 0.00 C ATOM 1092 C ILE A 75 -3.030 1.308 -3.986 1.00 0.00 C ATOM 1093 O ILE A 75 -2.310 0.310 -4.034 1.00 0.00 O ATOM 1094 CB ILE A 75 -2.309 2.894 -5.776 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -1.754 4.289 -6.087 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -3.643 2.677 -6.481 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -2.656 5.421 -5.641 1.00 0.00 C ATOM 0 H ILE A 75 -0.533 2.116 -3.656 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.150 3.446 -3.860 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.601 2.154 -6.148 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.783 4.399 -5.604 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.587 4.372 -7.161 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.515 2.820 -7.554 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.995 1.663 -6.290 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.374 3.392 -6.104 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.195 6.375 -5.896 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.620 5.338 -6.143 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.803 5.366 -4.562 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.331 1.252 -3.712 1.00 0.00 N ATOM 1110 CA VAL A 76 -5.008 -0.012 -3.444 1.00 0.00 C ATOM 1111 C VAL A 76 -6.403 -0.023 -4.066 1.00 0.00 C ATOM 1112 O VAL A 76 -7.265 0.773 -3.694 1.00 0.00 O ATOM 1113 CB VAL A 76 -5.130 -0.276 -1.928 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -5.871 -1.579 -1.666 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -3.758 -0.300 -1.273 1.00 0.00 C ATOM 0 H VAL A 76 -4.938 2.071 -3.670 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.403 -0.800 -3.892 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.705 0.539 -1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.946 -1.745 -0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.872 -1.521 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.327 -2.405 -2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.868 -0.487 -0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.155 -1.091 -1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.266 0.661 -1.424 1.00 0.00 H new ATOM 1125 N THR A 77 -6.615 -0.934 -5.011 1.00 0.00 N ATOM 1126 CA THR A 77 -7.903 -1.056 -5.685 1.00 0.00 C ATOM 1127 C THR A 77 -8.880 -1.873 -4.845 1.00 0.00 C ATOM 1128 O THR A 77 -8.479 -2.804 -4.145 1.00 0.00 O ATOM 1129 CB THR A 77 -7.753 -1.714 -7.070 1.00 0.00 C ATOM 1130 OG1 THR A 77 -6.773 -1.011 -7.843 1.00 0.00 O ATOM 1131 CG2 THR A 77 -9.079 -1.718 -7.816 1.00 0.00 C ATOM 0 H THR A 77 -5.910 -1.600 -5.328 1.00 0.00 H new ATOM 0 HA THR A 77 -8.293 -0.047 -5.816 1.00 0.00 H new ATOM 0 HB THR A 77 -7.432 -2.745 -6.922 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.682 -1.436 -8.721 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.947 -2.188 -8.791 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.818 -2.276 -7.241 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.424 -0.693 -7.951 1.00 0.00 H new ATOM 1139 N THR A 78 -10.160 -1.523 -4.918 1.00 0.00 N ATOM 1140 CA THR A 78 -11.188 -2.228 -4.162 1.00 0.00 C ATOM 1141 C THR A 78 -12.467 -2.378 -4.979 1.00 0.00 C ATOM 1142 O THR A 78 -12.872 -1.458 -5.691 1.00 0.00 O ATOM 1143 CB THR A 78 -11.518 -1.502 -2.844 1.00 0.00 C ATOM 1144 OG1 THR A 78 -11.955 -0.165 -3.115 1.00 0.00 O ATOM 1145 CG2 THR A 78 -10.307 -1.469 -1.924 1.00 0.00 C ATOM 0 H THR A 78 -10.510 -0.756 -5.492 1.00 0.00 H new ATOM 0 HA THR A 78 -10.787 -3.215 -3.933 1.00 0.00 H new ATOM 0 HB THR A 78 -12.317 -2.050 -2.345 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.164 0.288 -2.272 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.566 -0.951 -1.000 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.997 -2.488 -1.694 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.489 -0.944 -2.418 1.00 0.00 H new ATOM 1153 N LYS A 79 -13.096 -3.546 -4.873 1.00 0.00 N ATOM 1154 CA LYS A 79 -14.328 -3.826 -5.603 1.00 0.00 C ATOM 1155 C LYS A 79 -15.405 -2.796 -5.274 1.00 0.00 C ATOM 1156 O LYS A 79 -16.005 -2.206 -6.173 1.00 0.00 O ATOM 1157 CB LYS A 79 -14.831 -5.232 -5.268 1.00 0.00 C ATOM 1158 CG LYS A 79 -13.846 -6.336 -5.627 1.00 0.00 C ATOM 1159 CD LYS A 79 -13.585 -6.395 -7.125 1.00 0.00 C ATOM 1160 CE LYS A 79 -14.847 -6.738 -7.902 1.00 0.00 C ATOM 1161 NZ LYS A 79 -14.594 -6.816 -9.368 1.00 0.00 N ATOM 0 H LYS A 79 -12.771 -4.315 -4.287 1.00 0.00 H new ATOM 0 HA LYS A 79 -14.111 -3.767 -6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -15.050 -5.285 -4.202 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.769 -5.408 -5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -12.906 -6.170 -5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.236 -7.296 -5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.198 -5.435 -7.465 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.816 -7.140 -7.332 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.242 -7.691 -7.551 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.610 -5.985 -7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.479 -7.052 -9.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.242 -5.899 -9.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.885 -7.552 -9.559 1.00 0.00 H new ATOM 1175 N SER A 80 -15.642 -2.581 -3.983 1.00 0.00 N ATOM 1176 CA SER A 80 -16.644 -1.617 -3.542 1.00 0.00 C ATOM 1177 C SER A 80 -16.232 -0.202 -3.930 1.00 0.00 C ATOM 1178 O SER A 80 -16.989 0.525 -4.576 1.00 0.00 O ATOM 1179 CB SER A 80 -16.838 -1.706 -2.027 1.00 0.00 C ATOM 1180 OG SER A 80 -17.826 -0.793 -1.584 1.00 0.00 O ATOM 0 H SER A 80 -15.155 -3.060 -3.226 1.00 0.00 H new ATOM 0 HA SER A 80 -17.587 -1.855 -4.034 1.00 0.00 H new ATOM 0 HB2 SER A 80 -17.128 -2.721 -1.754 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.894 -1.497 -1.524 1.00 0.00 H new ATOM 0 HG SER A 80 -17.932 -0.871 -0.613 1.00 0.00 H new ATOM 1186 N GLY A 81 -15.020 0.177 -3.537 1.00 0.00 N ATOM 1187 CA GLY A 81 -14.511 1.497 -3.855 1.00 0.00 C ATOM 1188 C GLY A 81 -14.033 1.597 -5.289 1.00 0.00 C ATOM 1189 O GLY A 81 -14.791 1.335 -6.224 1.00 0.00 O ATOM 0 H GLY A 81 -14.380 -0.410 -3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.292 2.237 -3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.688 1.739 -3.182 1.00 0.00 H new ATOM 1193 N GLY A 82 -12.770 1.974 -5.461 1.00 0.00 N ATOM 1194 CA GLY A 82 -12.204 2.098 -6.790 1.00 0.00 C ATOM 1195 C GLY A 82 -10.694 2.216 -6.760 1.00 0.00 C ATOM 1196 O GLY A 82 -10.028 1.526 -5.988 1.00 0.00 O ATOM 0 H GLY A 82 -12.127 2.196 -4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.487 1.230 -7.386 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.626 2.974 -7.282 1.00 0.00 H new ATOM 1200 N LYS A 83 -10.151 3.091 -7.599 1.00 0.00 N ATOM 1201 CA LYS A 83 -8.709 3.292 -7.659 1.00 0.00 C ATOM 1202 C LYS A 83 -8.192 3.870 -6.345 1.00 0.00 C ATOM 1203 O LYS A 83 -8.750 4.831 -5.814 1.00 0.00 O ATOM 1204 CB LYS A 83 -8.347 4.223 -8.819 1.00 0.00 C ATOM 1205 CG LYS A 83 -6.850 4.386 -9.024 1.00 0.00 C ATOM 1206 CD LYS A 83 -6.545 5.323 -10.180 1.00 0.00 C ATOM 1207 CE LYS A 83 -5.047 5.467 -10.396 1.00 0.00 C ATOM 1208 NZ LYS A 83 -4.734 6.384 -11.526 1.00 0.00 N ATOM 0 H LYS A 83 -10.686 3.671 -8.245 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.237 2.324 -7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.791 3.836 -9.736 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.789 5.203 -8.639 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.397 4.773 -8.111 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.400 3.412 -9.215 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.011 4.945 -11.090 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.981 6.302 -9.982 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.583 5.843 -9.484 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.613 4.487 -10.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.703 6.455 -11.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.155 6.012 -12.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.126 7.327 -11.327 1.00 0.00 H new ATOM 1222 N GLY A 84 -7.125 3.274 -5.825 1.00 0.00 N ATOM 1223 CA GLY A 84 -6.549 3.736 -4.577 1.00 0.00 C ATOM 1224 C GLY A 84 -6.031 5.159 -4.663 1.00 0.00 C ATOM 1225 O GLY A 84 -5.660 5.628 -5.739 1.00 0.00 O ATOM 0 H GLY A 84 -6.648 2.477 -6.247 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.300 3.674 -3.790 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -5.732 3.073 -4.291 1.00 0.00 H new ATOM 1229 N THR A 85 -6.011 5.845 -3.523 1.00 0.00 N ATOM 1230 CA THR A 85 -5.538 7.225 -3.458 1.00 0.00 C ATOM 1231 C THR A 85 -4.884 7.508 -2.110 1.00 0.00 C ATOM 1232 O THR A 85 -5.337 7.017 -1.076 1.00 0.00 O ATOM 1233 CB THR A 85 -6.687 8.231 -3.673 1.00 0.00 C ATOM 1234 OG1 THR A 85 -7.721 8.007 -2.707 1.00 0.00 O ATOM 1235 CG2 THR A 85 -7.263 8.116 -5.076 1.00 0.00 C ATOM 0 H THR A 85 -6.319 5.465 -2.628 1.00 0.00 H new ATOM 0 HA THR A 85 -4.807 7.347 -4.257 1.00 0.00 H new ATOM 0 HB THR A 85 -6.283 9.236 -3.549 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.512 7.205 -2.184 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.071 8.837 -5.198 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.481 8.319 -5.808 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.650 7.109 -5.229 1.00 0.00 H new ATOM 1243 N SER A 86 -3.816 8.301 -2.125 1.00 0.00 N ATOM 1244 CA SER A 86 -3.107 8.640 -0.896 1.00 0.00 C ATOM 1245 C SER A 86 -2.249 9.888 -1.077 1.00 0.00 C ATOM 1246 O SER A 86 -1.443 9.973 -2.003 1.00 0.00 O ATOM 1247 CB SER A 86 -2.221 7.475 -0.455 1.00 0.00 C ATOM 1248 OG SER A 86 -1.545 7.780 0.750 1.00 0.00 O ATOM 0 H SER A 86 -3.425 8.718 -2.969 1.00 0.00 H new ATOM 0 HA SER A 86 -3.855 8.841 -0.129 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.830 6.582 -0.318 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.495 7.249 -1.236 1.00 0.00 H new ATOM 0 HG SER A 86 -2.195 8.062 1.427 1.00 0.00 H new ATOM 1254 N THR A 87 -2.423 10.846 -0.175 1.00 0.00 N ATOM 1255 CA THR A 87 -1.660 12.085 -0.216 1.00 0.00 C ATOM 1256 C THR A 87 -0.229 11.845 0.252 1.00 0.00 C ATOM 1257 O THR A 87 0.704 12.520 -0.184 1.00 0.00 O ATOM 1258 CB THR A 87 -2.303 13.173 0.663 1.00 0.00 C ATOM 1259 OG1 THR A 87 -2.337 12.741 2.028 1.00 0.00 O ATOM 1260 CG2 THR A 87 -3.715 13.486 0.191 1.00 0.00 C ATOM 0 H THR A 87 -3.088 10.787 0.596 1.00 0.00 H new ATOM 0 HA THR A 87 -1.656 12.429 -1.250 1.00 0.00 H new ATOM 0 HB THR A 87 -1.701 14.078 0.582 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.746 13.439 2.582 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.149 14.257 0.827 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.684 13.841 -0.839 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.325 12.585 0.246 1.00 0.00 H new ATOM 1268 N VAL A 88 -0.072 10.876 1.149 1.00 0.00 N ATOM 1269 CA VAL A 88 1.235 10.531 1.696 1.00 0.00 C ATOM 1270 C VAL A 88 1.985 9.575 0.774 1.00 0.00 C ATOM 1271 O VAL A 88 1.377 8.814 0.022 1.00 0.00 O ATOM 1272 CB VAL A 88 1.110 9.882 3.087 1.00 0.00 C ATOM 1273 CG1 VAL A 88 0.430 10.832 4.061 1.00 0.00 C ATOM 1274 CG2 VAL A 88 0.351 8.566 2.999 1.00 0.00 C ATOM 0 H VAL A 88 -0.840 10.313 1.514 1.00 0.00 H new ATOM 0 HA VAL A 88 1.793 11.463 1.784 1.00 0.00 H new ATOM 0 HB VAL A 88 2.113 9.672 3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.351 10.356 5.038 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.018 11.745 4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.567 11.077 3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.274 8.124 3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.648 8.748 2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.883 7.882 2.338 1.00 0.00 H new ATOM 1284 N SER A 89 3.312 9.623 0.838 1.00 0.00 N ATOM 1285 CA SER A 89 4.150 8.764 0.010 1.00 0.00 C ATOM 1286 C SER A 89 5.331 8.225 0.810 1.00 0.00 C ATOM 1287 O SER A 89 5.911 8.933 1.633 1.00 0.00 O ATOM 1288 CB SER A 89 4.656 9.533 -1.207 1.00 0.00 C ATOM 1289 OG SER A 89 3.579 10.038 -1.977 1.00 0.00 O ATOM 0 H SER A 89 3.830 10.248 1.455 1.00 0.00 H new ATOM 0 HA SER A 89 3.545 7.922 -0.326 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.292 10.356 -0.882 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.272 8.879 -1.824 1.00 0.00 H new ATOM 0 HG SER A 89 3.931 10.528 -2.750 1.00 0.00 H new ATOM 1295 N PHE A 90 5.675 6.965 0.568 1.00 0.00 N ATOM 1296 CA PHE A 90 6.782 6.324 1.270 1.00 0.00 C ATOM 1297 C PHE A 90 8.114 6.604 0.579 1.00 0.00 C ATOM 1298 O PHE A 90 8.263 6.372 -0.622 1.00 0.00 O ATOM 1299 CB PHE A 90 6.550 4.814 1.353 1.00 0.00 C ATOM 1300 CG PHE A 90 7.646 4.074 2.069 1.00 0.00 C ATOM 1301 CD1 PHE A 90 7.985 4.397 3.374 1.00 0.00 C ATOM 1302 CD2 PHE A 90 8.335 3.052 1.436 1.00 0.00 C ATOM 1303 CE1 PHE A 90 8.989 3.715 4.032 1.00 0.00 C ATOM 1304 CE2 PHE A 90 9.340 2.366 2.090 1.00 0.00 C ATOM 1305 CZ PHE A 90 9.669 2.699 3.389 1.00 0.00 C ATOM 0 H PHE A 90 5.203 6.366 -0.110 1.00 0.00 H new ATOM 0 HA PHE A 90 6.825 6.741 2.276 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.605 4.628 1.863 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.452 4.414 0.344 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.458 5.191 3.882 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.083 2.789 0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.243 3.976 5.049 1.00 0.00 H new ATOM 0 HE2 PHE A 90 9.868 1.570 1.586 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.456 2.166 3.901 1.00 0.00 H new ATOM 1315 N LYS A 91 9.083 7.089 1.351 1.00 0.00 N ATOM 1316 CA LYS A 91 10.410 7.383 0.822 1.00 0.00 C ATOM 1317 C LYS A 91 11.252 6.113 0.774 1.00 0.00 C ATOM 1318 O LYS A 91 11.965 5.792 1.726 1.00 0.00 O ATOM 1319 CB LYS A 91 11.104 8.441 1.682 1.00 0.00 C ATOM 1320 CG LYS A 91 12.490 8.819 1.181 1.00 0.00 C ATOM 1321 CD LYS A 91 13.140 9.870 2.067 1.00 0.00 C ATOM 1322 CE LYS A 91 13.372 9.350 3.477 1.00 0.00 C ATOM 1323 NZ LYS A 91 14.007 10.375 4.350 1.00 0.00 N ATOM 0 H LYS A 91 8.973 7.287 2.346 1.00 0.00 H new ATOM 0 HA LYS A 91 10.301 7.772 -0.190 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.482 9.336 1.715 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.185 8.071 2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.120 7.930 1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.418 9.197 0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.091 10.176 1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.507 10.756 2.105 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.421 9.042 3.911 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.006 8.464 3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.148 9.981 5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.926 10.651 3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.391 11.211 4.409 1.00 0.00 H new ATOM 1337 N LEU A 92 11.156 5.388 -0.334 1.00 0.00 N ATOM 1338 CA LEU A 92 11.898 4.143 -0.499 1.00 0.00 C ATOM 1339 C LEU A 92 13.402 4.397 -0.518 1.00 0.00 C ATOM 1340 O LEU A 92 13.894 5.222 -1.286 1.00 0.00 O ATOM 1341 CB LEU A 92 11.473 3.444 -1.790 1.00 0.00 C ATOM 1342 CG LEU A 92 12.039 2.037 -1.977 1.00 0.00 C ATOM 1343 CD1 LEU A 92 11.540 1.111 -0.879 1.00 0.00 C ATOM 1344 CD2 LEU A 92 11.663 1.490 -3.344 1.00 0.00 C ATOM 0 H LEU A 92 10.572 5.640 -1.131 1.00 0.00 H new ATOM 0 HA LEU A 92 11.670 3.500 0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.385 3.388 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 92 11.780 4.059 -2.636 1.00 0.00 H new ATOM 0 HG LEU A 92 13.126 2.092 -1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.953 0.114 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.857 1.493 0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.452 1.061 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.074 0.487 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.577 1.450 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.067 2.140 -4.120 1.00 0.00 H new ATOM 1356 N LEU A 93 14.126 3.677 0.336 1.00 0.00 N ATOM 1357 CA LEU A 93 15.575 3.819 0.425 1.00 0.00 C ATOM 1358 C LEU A 93 16.285 2.824 -0.490 1.00 0.00 C ATOM 1359 O LEU A 93 15.920 1.649 -0.545 1.00 0.00 O ATOM 1360 CB LEU A 93 16.039 3.617 1.869 1.00 0.00 C ATOM 1361 CG LEU A 93 15.401 4.558 2.895 1.00 0.00 C ATOM 1362 CD1 LEU A 93 15.921 4.253 4.289 1.00 0.00 C ATOM 1363 CD2 LEU A 93 15.670 6.010 2.528 1.00 0.00 C ATOM 0 H LEU A 93 13.731 2.989 0.977 1.00 0.00 H new ATOM 0 HA LEU A 93 15.833 4.827 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 93 15.827 2.589 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 93 17.121 3.743 1.907 1.00 0.00 H new ATOM 0 HG LEU A 93 14.323 4.398 2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.458 4.930 5.006 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.676 3.224 4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 93 17.003 4.386 4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.209 6.664 3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 93 16.745 6.187 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.249 6.221 1.545 1.00 0.00 H new ATOM 1375 N LYS A 94 17.304 3.301 -1.200 1.00 0.00 N ATOM 1376 CA LYS A 94 18.072 2.452 -2.105 1.00 0.00 C ATOM 1377 C LYS A 94 18.957 1.485 -1.318 1.00 0.00 C ATOM 1378 O LYS A 94 19.672 1.896 -0.404 1.00 0.00 O ATOM 1379 CB LYS A 94 18.933 3.311 -3.038 1.00 0.00 C ATOM 1380 CG LYS A 94 19.764 2.500 -4.023 1.00 0.00 C ATOM 1381 CD LYS A 94 20.566 3.398 -4.957 1.00 0.00 C ATOM 1382 CE LYS A 94 19.662 4.253 -5.831 1.00 0.00 C ATOM 1383 NZ LYS A 94 20.443 5.129 -6.749 1.00 0.00 N ATOM 0 H LYS A 94 17.617 4.271 -1.166 1.00 0.00 H new ATOM 0 HA LYS A 94 17.372 1.871 -2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 94 18.285 3.989 -3.594 1.00 0.00 H new ATOM 0 HB3 LYS A 94 19.600 3.929 -2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 94 20.443 1.846 -3.475 1.00 0.00 H new ATOM 0 HG3 LYS A 94 19.108 1.858 -4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 94 21.219 4.043 -4.369 1.00 0.00 H new ATOM 0 HD3 LYS A 94 21.208 2.784 -5.589 1.00 0.00 H new ATOM 0 HE2 LYS A 94 19.006 3.608 -6.416 1.00 0.00 H new ATOM 0 HE3 LYS A 94 19.022 4.869 -5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 19.790 5.695 -7.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 21.050 5.763 -6.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.035 4.541 -7.370 1.00 0.00 H new ATOM 1397 N PRO A 95 18.917 0.183 -1.657 1.00 0.00 N ATOM 1398 CA PRO A 95 19.716 -0.839 -0.970 1.00 0.00 C ATOM 1399 C PRO A 95 21.199 -0.500 -0.922 1.00 0.00 C ATOM 1400 O PRO A 95 21.794 -0.123 -1.932 1.00 0.00 O ATOM 1401 CB PRO A 95 19.500 -2.089 -1.821 1.00 0.00 C ATOM 1402 CG PRO A 95 18.177 -1.880 -2.467 1.00 0.00 C ATOM 1403 CD PRO A 95 18.084 -0.402 -2.728 1.00 0.00 C ATOM 0 HA PRO A 95 19.413 -0.945 0.072 1.00 0.00 H new ATOM 0 HB2 PRO A 95 20.290 -2.204 -2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.504 -2.991 -1.209 1.00 0.00 H new ATOM 0 HG2 PRO A 95 18.099 -2.448 -3.394 1.00 0.00 H new ATOM 0 HG3 PRO A 95 17.367 -2.216 -1.819 1.00 0.00 H new ATOM 0 HD2 PRO A 95 18.461 -0.143 -3.718 1.00 0.00 H new ATOM 0 HD3 PRO A 95 17.054 -0.048 -2.676 1.00 0.00 H new