USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=28 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 46 HIS :FLIP no HE2:sc= 0.0585 F(o=-0.49,f=0.64) USER MOD Set 1.2: A 48 CYS SG : rot 6:sc= 0.583 USER MOD Set 2.1: A 6 GLN :FLIP amide:sc= 0 X(o=-0.34,f=0) USER MOD Set 2.2: A 30 ASN :FLIP amide:sc= 0 X(o=-0.23,f=0) USER MOD Single : A 11 THR OG1 : rot -47:sc= 0.893 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.383 K(o=-0.38,f=-2.2!) USER MOD Single : A 22 THR OG1 : rot 84:sc= 0.0566 USER MOD Single : A 23 LYS NZ :NH3+ 146:sc=-0.00525 (180deg=-1.52!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 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 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 130:sc= -2.67! USER MOD Single : A 47 ASN :FLIP amide:sc= -0.611 F(o=-5.9!,f=-0.61) USER MOD Single : A 51 THR OG1 : rot -14:sc= 0.0608 USER MOD Single : A 55 MET CE :methyl -166:sc= 0 (180deg=-0.264) USER MOD Single : A 56 SER OG : rot -15:sc= 0.913 USER MOD Single : A 58 SER OG : rot 107:sc= 1.68 USER MOD Single : A 59 LYS NZ :NH3+ 176:sc= -4.7! (180deg=-5.12!) USER MOD Single : A 62 CYS SG : rot 25:sc= -3.74! 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 180:sc= 0 USER MOD Single : A 86 SER OG : rot -96:sc= 0.919 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -116:sc= 0.0528 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 169:sc= -0.0367 (180deg=-0.21) USER MOD ----------------------------------------------------------------- ATOM 62 N GLN A 6 -16.840 6.074 -0.587 1.00 0.00 N ATOM 63 CA GLN A 6 -15.639 6.856 -0.860 1.00 0.00 C ATOM 64 C GLN A 6 -14.437 5.949 -1.124 1.00 0.00 C ATOM 65 O GLN A 6 -14.267 4.926 -0.461 1.00 0.00 O ATOM 66 CB GLN A 6 -15.340 7.793 0.311 1.00 0.00 C ATOM 67 CG GLN A 6 -15.106 7.069 1.627 1.00 0.00 C ATOM 68 CD GLN A 6 -14.819 8.022 2.771 1.00 0.00 C ATOM 69 OE1 GLN A 6 -13.647 7.881 3.379 1.00 0.00 O flip ATOM 70 NE2 GLN A 6 -15.642 8.874 3.105 1.00 0.00 N flip ATOM 0 HA GLN A 6 -15.821 7.449 -1.756 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.459 8.389 0.072 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -16.172 8.487 0.431 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -15.984 6.470 1.869 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -14.270 6.379 1.515 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -16.531 8.947 2.609 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -15.435 9.507 3.877 1.00 0.00 H new ATOM 79 N PRO A 7 -13.580 6.317 -2.096 1.00 0.00 N ATOM 80 CA PRO A 7 -12.387 5.533 -2.434 1.00 0.00 C ATOM 81 C PRO A 7 -11.439 5.398 -1.245 1.00 0.00 C ATOM 82 O PRO A 7 -11.312 6.321 -0.440 1.00 0.00 O ATOM 83 CB PRO A 7 -11.724 6.333 -3.562 1.00 0.00 C ATOM 84 CG PRO A 7 -12.304 7.703 -3.464 1.00 0.00 C ATOM 85 CD PRO A 7 -13.696 7.525 -2.931 1.00 0.00 C ATOM 0 HA PRO A 7 -12.640 4.513 -2.723 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.641 6.355 -3.445 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.930 5.887 -4.535 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.710 8.332 -2.801 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.319 8.191 -4.438 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -14.019 8.388 -2.349 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.421 7.393 -3.734 1.00 0.00 H new ATOM 93 N PRO A 8 -10.763 4.242 -1.111 1.00 0.00 N ATOM 94 CA PRO A 8 -9.833 4.002 -0.004 1.00 0.00 C ATOM 95 C PRO A 8 -8.809 5.122 0.148 1.00 0.00 C ATOM 96 O PRO A 8 -8.015 5.379 -0.756 1.00 0.00 O ATOM 97 CB PRO A 8 -9.137 2.698 -0.397 1.00 0.00 C ATOM 98 CG PRO A 8 -10.105 2.002 -1.289 1.00 0.00 C ATOM 99 CD PRO A 8 -10.856 3.082 -2.018 1.00 0.00 C ATOM 0 HA PRO A 8 -10.350 3.954 0.955 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.195 2.892 -0.910 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.904 2.095 0.480 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.587 1.347 -1.990 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.786 1.376 -0.712 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.409 3.296 -2.989 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.892 2.797 -2.200 1.00 0.00 H new ATOM 107 N LEU A 9 -8.833 5.781 1.302 1.00 0.00 N ATOM 108 CA LEU A 9 -7.906 6.871 1.582 1.00 0.00 C ATOM 109 C LEU A 9 -6.742 6.386 2.440 1.00 0.00 C ATOM 110 O LEU A 9 -6.944 5.732 3.461 1.00 0.00 O ATOM 111 CB LEU A 9 -8.631 8.016 2.294 1.00 0.00 C ATOM 112 CG LEU A 9 -7.745 9.200 2.694 1.00 0.00 C ATOM 113 CD1 LEU A 9 -7.152 9.870 1.464 1.00 0.00 C ATOM 114 CD2 LEU A 9 -8.538 10.202 3.520 1.00 0.00 C ATOM 0 H LEU A 9 -9.486 5.579 2.059 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.512 7.232 0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.426 8.381 1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.108 7.621 3.191 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.924 8.823 3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.527 10.708 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.548 9.149 0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.956 10.233 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.894 11.037 3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.380 10.571 2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.909 9.717 4.423 1.00 0.00 H new ATOM 126 N VAL A 10 -5.526 6.719 2.026 1.00 0.00 N ATOM 127 CA VAL A 10 -4.334 6.324 2.766 1.00 0.00 C ATOM 128 C VAL A 10 -3.592 7.550 3.285 1.00 0.00 C ATOM 129 O VAL A 10 -3.420 8.534 2.564 1.00 0.00 O ATOM 130 CB VAL A 10 -3.381 5.484 1.896 1.00 0.00 C ATOM 131 CG1 VAL A 10 -2.131 5.102 2.676 1.00 0.00 C ATOM 132 CG2 VAL A 10 -4.090 4.245 1.371 1.00 0.00 C ATOM 0 H VAL A 10 -5.339 7.261 1.182 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.665 5.715 3.607 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.074 6.089 1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.473 4.509 2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.611 6.005 2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.413 4.518 3.552 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.401 3.664 0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.431 3.638 2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.947 4.544 0.768 1.00 0.00 H new ATOM 142 N THR A 11 -3.159 7.487 4.539 1.00 0.00 N ATOM 143 CA THR A 11 -2.440 8.596 5.153 1.00 0.00 C ATOM 144 C THR A 11 -1.815 8.184 6.485 1.00 0.00 C ATOM 145 O THR A 11 -2.014 8.837 7.510 1.00 0.00 O ATOM 146 CB THR A 11 -3.365 9.808 5.368 1.00 0.00 C ATOM 147 OG1 THR A 11 -2.661 10.858 6.040 1.00 0.00 O ATOM 148 CG2 THR A 11 -4.585 9.406 6.173 1.00 0.00 C ATOM 0 H THR A 11 -3.293 6.681 5.149 1.00 0.00 H new ATOM 0 HA THR A 11 -1.643 8.879 4.466 1.00 0.00 H new ATOM 0 HB THR A 11 -3.691 10.169 4.393 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.181 10.489 6.810 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.229 10.274 6.316 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.134 8.631 5.638 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.270 9.024 7.144 1.00 0.00 H new ATOM 156 N GLY A 12 -1.055 7.093 6.460 1.00 0.00 N ATOM 157 CA GLY A 12 -0.413 6.608 7.668 1.00 0.00 C ATOM 158 C GLY A 12 0.630 5.543 7.386 1.00 0.00 C ATOM 159 O GLY A 12 0.459 4.716 6.489 1.00 0.00 O ATOM 0 H GLY A 12 -0.873 6.537 5.625 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.057 7.444 8.186 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.170 6.202 8.339 1.00 0.00 H new ATOM 163 N ILE A 13 1.715 5.568 8.155 1.00 0.00 N ATOM 164 CA ILE A 13 2.798 4.606 7.991 1.00 0.00 C ATOM 165 C ILE A 13 3.670 4.554 9.242 1.00 0.00 C ATOM 166 O ILE A 13 4.082 5.592 9.762 1.00 0.00 O ATOM 167 CB ILE A 13 3.679 4.965 6.773 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.807 3.944 6.605 1.00 0.00 C ATOM 169 CG2 ILE A 13 4.248 6.372 6.921 1.00 0.00 C ATOM 170 CD1 ILE A 13 5.673 4.190 5.387 1.00 0.00 C ATOM 0 H ILE A 13 1.867 6.247 8.901 1.00 0.00 H new ATOM 0 HA ILE A 13 2.344 3.629 7.827 1.00 0.00 H new ATOM 0 HB ILE A 13 3.056 4.938 5.879 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.435 3.959 7.496 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.375 2.946 6.537 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.866 6.608 6.054 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.431 7.090 6.990 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.855 6.426 7.825 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.450 3.428 5.333 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.058 4.145 4.488 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.135 5.174 5.462 1.00 0.00 H new ATOM 182 N SER A 14 3.953 3.346 9.725 1.00 0.00 N ATOM 183 CA SER A 14 4.781 3.193 10.914 1.00 0.00 C ATOM 184 C SER A 14 6.182 3.753 10.656 1.00 0.00 C ATOM 185 O SER A 14 6.604 4.693 11.331 1.00 0.00 O ATOM 186 CB SER A 14 4.848 1.726 11.356 1.00 0.00 C ATOM 187 OG SER A 14 5.685 1.570 12.489 1.00 0.00 O ATOM 0 H SER A 14 3.625 2.471 9.316 1.00 0.00 H new ATOM 0 HA SER A 14 4.325 3.759 11.726 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.845 1.368 11.589 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.223 1.113 10.536 1.00 0.00 H new ATOM 0 HG SER A 14 5.709 0.626 12.751 1.00 0.00 H new ATOM 193 N PRO A 15 6.925 3.211 9.665 1.00 0.00 N ATOM 194 CA PRO A 15 8.263 3.707 9.343 1.00 0.00 C ATOM 195 C PRO A 15 8.207 4.976 8.493 1.00 0.00 C ATOM 196 O PRO A 15 7.182 5.656 8.454 1.00 0.00 O ATOM 197 CB PRO A 15 8.872 2.547 8.556 1.00 0.00 C ATOM 198 CG PRO A 15 7.714 1.927 7.858 1.00 0.00 C ATOM 199 CD PRO A 15 6.530 2.093 8.776 1.00 0.00 C ATOM 0 HA PRO A 15 8.837 3.985 10.227 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.622 2.898 7.847 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.366 1.834 9.216 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.533 2.411 6.898 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.902 0.873 7.653 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.622 2.326 8.220 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.332 1.183 9.342 1.00 0.00 H new ATOM 207 N ASN A 16 9.306 5.285 7.808 1.00 0.00 N ATOM 208 CA ASN A 16 9.371 6.467 6.953 1.00 0.00 C ATOM 209 C ASN A 16 10.675 6.496 6.159 1.00 0.00 C ATOM 210 O ASN A 16 11.098 7.549 5.681 1.00 0.00 O ATOM 211 CB ASN A 16 9.241 7.741 7.791 1.00 0.00 C ATOM 212 CG ASN A 16 10.280 7.818 8.892 1.00 0.00 C ATOM 213 OD1 ASN A 16 11.482 7.842 8.630 1.00 0.00 O ATOM 214 ND2 ASN A 16 9.817 7.856 10.136 1.00 0.00 N ATOM 0 H ASN A 16 10.163 4.733 7.829 1.00 0.00 H new ATOM 0 HA ASN A 16 8.540 6.419 6.250 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.339 8.611 7.142 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.245 7.782 8.232 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.467 7.907 10.921 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.812 7.834 10.307 1.00 0.00 H new ATOM 221 N GLU A 17 11.296 5.326 6.016 1.00 0.00 N ATOM 222 CA GLU A 17 12.548 5.192 5.275 1.00 0.00 C ATOM 223 C GLU A 17 13.044 3.750 5.330 1.00 0.00 C ATOM 224 O GLU A 17 13.165 3.167 6.408 1.00 0.00 O ATOM 225 CB GLU A 17 13.616 6.136 5.837 1.00 0.00 C ATOM 226 CG GLU A 17 13.891 5.936 7.320 1.00 0.00 C ATOM 227 CD GLU A 17 14.935 6.896 7.858 1.00 0.00 C ATOM 228 OE1 GLU A 17 15.444 7.723 7.072 1.00 0.00 O ATOM 229 OE2 GLU A 17 15.244 6.820 9.065 1.00 0.00 O ATOM 0 H GLU A 17 10.948 4.451 6.408 1.00 0.00 H new ATOM 0 HA GLU A 17 12.359 5.463 4.236 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.543 5.992 5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.301 7.166 5.671 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.963 6.065 7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.224 4.912 7.488 1.00 0.00 H new ATOM 236 N GLY A 18 13.325 3.174 4.165 1.00 0.00 N ATOM 237 CA GLY A 18 13.798 1.803 4.119 1.00 0.00 C ATOM 238 C GLY A 18 13.701 1.192 2.735 1.00 0.00 C ATOM 239 O GLY A 18 12.855 1.585 1.932 1.00 0.00 O ATOM 0 H GLY A 18 13.234 3.630 3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.835 1.770 4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.218 1.200 4.818 1.00 0.00 H new ATOM 243 N ILE A 19 14.569 0.221 2.461 1.00 0.00 N ATOM 244 CA ILE A 19 14.583 -0.462 1.171 1.00 0.00 C ATOM 245 C ILE A 19 13.199 -1.022 0.834 1.00 0.00 C ATOM 246 O ILE A 19 12.363 -1.188 1.718 1.00 0.00 O ATOM 247 CB ILE A 19 15.615 -1.609 1.159 1.00 0.00 C ATOM 248 CG1 ILE A 19 15.304 -2.620 2.267 1.00 0.00 C ATOM 249 CG2 ILE A 19 17.022 -1.050 1.319 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.234 -3.814 2.282 1.00 0.00 C ATOM 0 H ILE A 19 15.274 -0.111 3.119 1.00 0.00 H new ATOM 0 HA ILE A 19 14.864 0.274 0.418 1.00 0.00 H new ATOM 0 HB ILE A 19 15.555 -2.125 0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.359 -2.116 3.232 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.279 -2.971 2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.742 -1.868 1.309 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.238 -0.367 0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 19 17.095 -0.514 2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.952 -4.485 3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.162 -4.343 1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.259 -3.475 2.432 1.00 0.00 H new ATOM 262 N PRO A 20 12.927 -1.301 -0.455 1.00 0.00 N ATOM 263 CA PRO A 20 11.627 -1.827 -0.895 1.00 0.00 C ATOM 264 C PRO A 20 11.169 -3.055 -0.104 1.00 0.00 C ATOM 265 O PRO A 20 9.991 -3.191 0.221 1.00 0.00 O ATOM 266 CB PRO A 20 11.874 -2.200 -2.358 1.00 0.00 C ATOM 267 CG PRO A 20 12.972 -1.294 -2.793 1.00 0.00 C ATOM 268 CD PRO A 20 13.854 -1.111 -1.589 1.00 0.00 C ATOM 0 HA PRO A 20 10.833 -1.095 -0.746 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.160 -3.247 -2.458 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.978 -2.056 -2.961 1.00 0.00 H new ATOM 0 HG2 PRO A 20 13.529 -1.726 -3.624 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.577 -0.338 -3.137 1.00 0.00 H new ATOM 0 HD2 PRO A 20 14.666 -1.838 -1.571 1.00 0.00 H new ATOM 0 HD3 PRO A 20 14.312 -0.122 -1.573 1.00 0.00 H new ATOM 276 N TRP A 21 12.094 -3.958 0.192 1.00 0.00 N ATOM 277 CA TRP A 21 11.755 -5.172 0.930 1.00 0.00 C ATOM 278 C TRP A 21 11.395 -4.876 2.387 1.00 0.00 C ATOM 279 O TRP A 21 10.992 -5.775 3.125 1.00 0.00 O ATOM 280 CB TRP A 21 12.900 -6.183 0.864 1.00 0.00 C ATOM 281 CG TRP A 21 13.196 -6.651 -0.529 1.00 0.00 C ATOM 282 CD1 TRP A 21 13.955 -6.011 -1.467 1.00 0.00 C ATOM 283 CD2 TRP A 21 12.716 -7.849 -1.150 1.00 0.00 C ATOM 284 NE1 TRP A 21 13.990 -6.748 -2.627 1.00 0.00 N ATOM 285 CE2 TRP A 21 13.234 -7.878 -2.459 1.00 0.00 C ATOM 286 CE3 TRP A 21 11.901 -8.901 -0.724 1.00 0.00 C ATOM 287 CZ2 TRP A 21 12.964 -8.920 -3.343 1.00 0.00 C ATOM 288 CZ3 TRP A 21 11.632 -9.934 -1.603 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.162 -9.936 -2.900 1.00 0.00 C ATOM 0 H TRP A 21 13.078 -3.876 -0.064 1.00 0.00 H new ATOM 0 HA TRP A 21 10.874 -5.601 0.453 1.00 0.00 H new ATOM 0 HB2 TRP A 21 13.798 -5.733 1.288 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.652 -7.044 1.484 1.00 0.00 H new ATOM 0 HD1 TRP A 21 14.454 -5.065 -1.319 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.497 -6.495 -3.475 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.488 -8.907 0.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.373 -8.926 -4.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 11.003 -10.752 -1.285 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.933 -10.757 -3.564 1.00 0.00 H new ATOM 300 N THR A 22 11.543 -3.621 2.799 1.00 0.00 N ATOM 301 CA THR A 22 11.229 -3.230 4.172 1.00 0.00 C ATOM 302 C THR A 22 9.733 -3.344 4.453 1.00 0.00 C ATOM 303 O THR A 22 8.906 -2.871 3.674 1.00 0.00 O ATOM 304 CB THR A 22 11.685 -1.788 4.471 1.00 0.00 C ATOM 305 OG1 THR A 22 13.101 -1.672 4.288 1.00 0.00 O ATOM 306 CG2 THR A 22 11.320 -1.386 5.893 1.00 0.00 C ATOM 0 H THR A 22 11.876 -2.860 2.207 1.00 0.00 H new ATOM 0 HA THR A 22 11.772 -3.916 4.821 1.00 0.00 H new ATOM 0 HB THR A 22 11.173 -1.120 3.778 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.297 -1.519 3.340 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.652 -0.365 6.079 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.239 -1.445 6.022 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.807 -2.060 6.598 1.00 0.00 H new ATOM 314 N LYS A 23 9.395 -3.971 5.578 1.00 0.00 N ATOM 315 CA LYS A 23 8.000 -4.142 5.972 1.00 0.00 C ATOM 316 C LYS A 23 7.389 -2.807 6.384 1.00 0.00 C ATOM 317 O LYS A 23 8.030 -2.006 7.066 1.00 0.00 O ATOM 318 CB LYS A 23 7.892 -5.146 7.124 1.00 0.00 C ATOM 319 CG LYS A 23 6.463 -5.407 7.579 1.00 0.00 C ATOM 320 CD LYS A 23 5.620 -6.035 6.476 1.00 0.00 C ATOM 321 CE LYS A 23 6.142 -7.409 6.084 1.00 0.00 C ATOM 322 NZ LYS A 23 5.302 -8.043 5.030 1.00 0.00 N ATOM 0 H LYS A 23 10.069 -4.369 6.232 1.00 0.00 H new ATOM 0 HA LYS A 23 7.448 -4.526 5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.343 -6.089 6.815 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.471 -4.777 7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.473 -6.066 8.447 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.006 -4.469 7.896 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.586 -6.120 6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.619 -5.383 5.603 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.167 -7.319 5.725 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.167 -8.052 6.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.904 -8.614 4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.589 -8.655 5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.826 -7.304 4.475 1.00 0.00 H new ATOM 336 N VAL A 24 6.148 -2.573 5.968 1.00 0.00 N ATOM 337 CA VAL A 24 5.449 -1.332 6.294 1.00 0.00 C ATOM 338 C VAL A 24 3.955 -1.578 6.485 1.00 0.00 C ATOM 339 O VAL A 24 3.299 -2.181 5.636 1.00 0.00 O ATOM 340 CB VAL A 24 5.647 -0.267 5.193 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.116 0.106 5.066 1.00 0.00 C ATOM 342 CG2 VAL A 24 5.105 -0.758 3.859 1.00 0.00 C ATOM 0 H VAL A 24 5.604 -3.226 5.404 1.00 0.00 H new ATOM 0 HA VAL A 24 5.877 -0.963 7.226 1.00 0.00 H new ATOM 0 HB VAL A 24 5.088 0.624 5.480 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.234 0.857 4.285 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.472 0.509 6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.695 -0.780 4.807 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.256 0.010 3.100 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.630 -1.667 3.565 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.040 -0.969 3.954 1.00 0.00 H new ATOM 352 N THR A 25 3.421 -1.109 7.608 1.00 0.00 N ATOM 353 CA THR A 25 2.004 -1.279 7.902 1.00 0.00 C ATOM 354 C THR A 25 1.185 -0.143 7.300 1.00 0.00 C ATOM 355 O THR A 25 1.403 1.026 7.618 1.00 0.00 O ATOM 356 CB THR A 25 1.746 -1.337 9.420 1.00 0.00 C ATOM 357 OG1 THR A 25 2.508 -2.399 10.006 1.00 0.00 O ATOM 358 CG2 THR A 25 0.267 -1.552 9.711 1.00 0.00 C ATOM 0 H THR A 25 3.946 -0.610 8.326 1.00 0.00 H new ATOM 0 HA THR A 25 1.697 -2.225 7.456 1.00 0.00 H new ATOM 0 HB THR A 25 2.052 -0.385 9.854 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.340 -2.428 10.971 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.110 -1.589 10.789 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.310 -0.730 9.289 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.059 -2.491 9.264 1.00 0.00 H new ATOM 366 N ILE A 26 0.242 -0.492 6.432 1.00 0.00 N ATOM 367 CA ILE A 26 -0.607 0.503 5.791 1.00 0.00 C ATOM 368 C ILE A 26 -1.730 0.949 6.722 1.00 0.00 C ATOM 369 O ILE A 26 -2.324 0.136 7.430 1.00 0.00 O ATOM 370 CB ILE A 26 -1.214 -0.030 4.477 1.00 0.00 C ATOM 371 CG1 ILE A 26 -0.101 -0.382 3.486 1.00 0.00 C ATOM 372 CG2 ILE A 26 -2.162 0.999 3.875 1.00 0.00 C ATOM 373 CD1 ILE A 26 -0.611 -0.909 2.162 1.00 0.00 C ATOM 0 H ILE A 26 0.047 -1.455 6.157 1.00 0.00 H new ATOM 0 HA ILE A 26 0.028 1.358 5.560 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.783 -0.934 4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.506 0.505 3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.552 -1.129 3.937 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.582 0.608 2.948 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.967 1.207 4.579 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.616 1.919 3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.233 -1.137 1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.194 -1.815 2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.241 -0.156 1.689 1.00 0.00 H new ATOM 385 N ARG A 27 -2.016 2.246 6.711 1.00 0.00 N ATOM 386 CA ARG A 27 -3.067 2.811 7.548 1.00 0.00 C ATOM 387 C ARG A 27 -3.888 3.825 6.756 1.00 0.00 C ATOM 388 O ARG A 27 -3.332 4.664 6.046 1.00 0.00 O ATOM 389 CB ARG A 27 -2.460 3.492 8.777 1.00 0.00 C ATOM 390 CG ARG A 27 -1.558 2.591 9.609 1.00 0.00 C ATOM 391 CD ARG A 27 -2.333 1.457 10.266 1.00 0.00 C ATOM 392 NE ARG A 27 -1.504 0.701 11.203 1.00 0.00 N ATOM 393 CZ ARG A 27 -0.960 1.224 12.301 1.00 0.00 C ATOM 394 NH1 ARG A 27 -1.175 2.495 12.614 1.00 0.00 N ATOM 395 NH2 ARG A 27 -0.206 0.471 13.091 1.00 0.00 N ATOM 0 H ARG A 27 -1.532 2.929 6.128 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.718 2.000 7.874 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.887 4.360 8.451 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.267 3.862 9.409 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.776 2.175 8.974 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.063 3.184 10.378 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.196 1.864 10.792 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.716 0.786 9.497 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.332 -0.285 11.005 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.759 3.076 12.013 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.756 2.891 13.456 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.043 -0.508 12.858 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.210 0.871 13.932 1.00 0.00 H new ATOM 409 N GLY A 28 -5.209 3.745 6.877 1.00 0.00 N ATOM 410 CA GLY A 28 -6.070 4.668 6.160 1.00 0.00 C ATOM 411 C GLY A 28 -7.536 4.502 6.513 1.00 0.00 C ATOM 412 O GLY A 28 -7.884 4.363 7.685 1.00 0.00 O ATOM 0 H GLY A 28 -5.697 3.061 7.456 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.762 5.690 6.380 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.940 4.520 5.088 1.00 0.00 H new ATOM 416 N GLU A 29 -8.395 4.521 5.495 1.00 0.00 N ATOM 417 CA GLU A 29 -9.835 4.381 5.697 1.00 0.00 C ATOM 418 C GLU A 29 -10.514 3.765 4.476 1.00 0.00 C ATOM 419 O GLU A 29 -10.265 4.171 3.340 1.00 0.00 O ATOM 420 CB GLU A 29 -10.465 5.748 5.988 1.00 0.00 C ATOM 421 CG GLU A 29 -10.058 6.350 7.322 1.00 0.00 C ATOM 422 CD GLU A 29 -10.581 5.557 8.504 1.00 0.00 C ATOM 423 OE1 GLU A 29 -11.814 5.384 8.603 1.00 0.00 O ATOM 424 OE2 GLU A 29 -9.760 5.112 9.333 1.00 0.00 O ATOM 0 H GLU A 29 -8.117 4.632 4.520 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.983 3.716 6.548 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.190 6.439 5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.550 5.648 5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.971 6.401 7.376 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.429 7.373 7.383 1.00 0.00 H new ATOM 431 N ASN A 30 -11.392 2.796 4.728 1.00 0.00 N ATOM 432 CA ASN A 30 -12.144 2.124 3.669 1.00 0.00 C ATOM 433 C ASN A 30 -11.237 1.411 2.666 1.00 0.00 C ATOM 434 O ASN A 30 -11.488 1.451 1.461 1.00 0.00 O ATOM 435 CB ASN A 30 -13.032 3.131 2.935 1.00 0.00 C ATOM 436 CG ASN A 30 -14.024 3.810 3.858 1.00 0.00 C ATOM 437 OD1 ASN A 30 -13.929 5.130 3.957 1.00 0.00 O flip ATOM 438 ND2 ASN A 30 -14.865 3.156 4.473 1.00 0.00 N flip ATOM 0 H ASN A 30 -11.602 2.456 5.666 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.760 1.364 4.150 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.405 3.887 2.462 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.573 2.621 2.138 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.901 2.142 4.366 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.526 3.627 5.090 1.00 0.00 H new ATOM 445 N LEU A 31 -10.202 0.738 3.161 1.00 0.00 N ATOM 446 CA LEU A 31 -9.294 -0.001 2.286 1.00 0.00 C ATOM 447 C LEU A 31 -9.861 -1.384 1.977 1.00 0.00 C ATOM 448 O LEU A 31 -9.178 -2.398 2.131 1.00 0.00 O ATOM 449 CB LEU A 31 -7.900 -0.130 2.914 1.00 0.00 C ATOM 450 CG LEU A 31 -7.039 1.138 2.873 1.00 0.00 C ATOM 451 CD1 LEU A 31 -7.666 2.250 3.699 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.631 0.838 3.364 1.00 0.00 C ATOM 0 H LEU A 31 -9.972 0.688 4.153 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.197 0.559 1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.016 -0.436 3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.363 -0.930 2.404 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.983 1.477 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.035 3.138 3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.653 2.486 3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.760 1.925 4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.032 1.748 3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.674 0.471 4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.177 0.080 2.726 1.00 0.00 H new ATOM 464 N GLY A 32 -11.120 -1.417 1.549 1.00 0.00 N ATOM 465 CA GLY A 32 -11.770 -2.676 1.233 1.00 0.00 C ATOM 466 C GLY A 32 -12.146 -3.458 2.477 1.00 0.00 C ATOM 467 O GLY A 32 -11.304 -3.707 3.340 1.00 0.00 O ATOM 0 H GLY A 32 -11.703 -0.591 1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.666 -2.482 0.644 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.106 -3.280 0.614 1.00 0.00 H new ATOM 471 N THR A 33 -13.416 -3.841 2.570 1.00 0.00 N ATOM 472 CA THR A 33 -13.909 -4.594 3.718 1.00 0.00 C ATOM 473 C THR A 33 -13.891 -6.095 3.444 1.00 0.00 C ATOM 474 O THR A 33 -14.844 -6.805 3.765 1.00 0.00 O ATOM 475 CB THR A 33 -15.341 -4.166 4.091 1.00 0.00 C ATOM 476 OG1 THR A 33 -16.233 -4.440 3.005 1.00 0.00 O ATOM 477 CG2 THR A 33 -15.389 -2.684 4.430 1.00 0.00 C ATOM 0 H THR A 33 -14.123 -3.642 1.863 1.00 0.00 H new ATOM 0 HA THR A 33 -13.242 -4.376 4.552 1.00 0.00 H new ATOM 0 HB THR A 33 -15.651 -4.735 4.967 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.141 -4.167 3.251 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.410 -2.403 4.690 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.730 -2.482 5.275 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.062 -2.103 3.568 1.00 0.00 H new ATOM 485 N GLY A 34 -12.804 -6.573 2.846 1.00 0.00 N ATOM 486 CA GLY A 34 -12.693 -7.987 2.539 1.00 0.00 C ATOM 487 C GLY A 34 -11.445 -8.317 1.739 1.00 0.00 C ATOM 488 O GLY A 34 -11.045 -7.543 0.869 1.00 0.00 O ATOM 0 H GLY A 34 -12.001 -6.008 2.569 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.685 -8.557 3.468 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.573 -8.303 1.979 1.00 0.00 H new ATOM 492 N PRO A 35 -10.805 -9.472 2.007 1.00 0.00 N ATOM 493 CA PRO A 35 -9.596 -9.890 1.290 1.00 0.00 C ATOM 494 C PRO A 35 -9.830 -9.996 -0.214 1.00 0.00 C ATOM 495 O PRO A 35 -8.995 -9.573 -1.014 1.00 0.00 O ATOM 496 CB PRO A 35 -9.271 -11.268 1.881 1.00 0.00 C ATOM 497 CG PRO A 35 -10.522 -11.712 2.561 1.00 0.00 C ATOM 498 CD PRO A 35 -11.210 -10.460 3.020 1.00 0.00 C ATOM 0 HA PRO A 35 -8.787 -9.169 1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.977 -11.971 1.101 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.441 -11.208 2.585 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.157 -12.278 1.879 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.297 -12.365 3.404 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -12.292 -10.583 3.054 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.891 -10.167 4.020 1.00 0.00 H new ATOM 506 N THR A 36 -10.975 -10.559 -0.589 1.00 0.00 N ATOM 507 CA THR A 36 -11.327 -10.718 -1.995 1.00 0.00 C ATOM 508 C THR A 36 -11.463 -9.362 -2.680 1.00 0.00 C ATOM 509 O THR A 36 -11.064 -9.195 -3.833 1.00 0.00 O ATOM 510 CB THR A 36 -12.643 -11.500 -2.162 1.00 0.00 C ATOM 511 OG1 THR A 36 -13.705 -10.826 -1.477 1.00 0.00 O ATOM 512 CG2 THR A 36 -12.504 -12.916 -1.624 1.00 0.00 C ATOM 0 H THR A 36 -11.675 -10.913 0.063 1.00 0.00 H new ATOM 0 HA THR A 36 -10.520 -11.282 -2.463 1.00 0.00 H new ATOM 0 HB THR A 36 -12.874 -11.554 -3.226 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.538 -11.329 -1.590 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.446 -13.448 -1.753 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.716 -13.436 -2.168 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.250 -12.879 -0.565 1.00 0.00 H new ATOM 520 N ASP A 37 -12.031 -8.397 -1.960 1.00 0.00 N ATOM 521 CA ASP A 37 -12.224 -7.052 -2.491 1.00 0.00 C ATOM 522 C ASP A 37 -10.899 -6.451 -2.951 1.00 0.00 C ATOM 523 O ASP A 37 -10.846 -5.741 -3.955 1.00 0.00 O ATOM 524 CB ASP A 37 -12.865 -6.151 -1.433 1.00 0.00 C ATOM 525 CG ASP A 37 -14.221 -6.660 -0.979 1.00 0.00 C ATOM 526 OD1 ASP A 37 -14.661 -7.715 -1.484 1.00 0.00 O ATOM 527 OD2 ASP A 37 -14.843 -6.003 -0.119 1.00 0.00 O ATOM 0 H ASP A 37 -12.366 -8.523 -1.005 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.889 -7.121 -3.352 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.201 -6.079 -0.572 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.975 -5.144 -1.836 1.00 0.00 H new ATOM 532 N LEU A 38 -9.834 -6.738 -2.206 1.00 0.00 N ATOM 533 CA LEU A 38 -8.503 -6.231 -2.529 1.00 0.00 C ATOM 534 C LEU A 38 -7.910 -7.000 -3.711 1.00 0.00 C ATOM 535 O LEU A 38 -6.889 -7.677 -3.577 1.00 0.00 O ATOM 536 CB LEU A 38 -7.584 -6.349 -1.307 1.00 0.00 C ATOM 537 CG LEU A 38 -6.485 -5.286 -1.195 1.00 0.00 C ATOM 538 CD1 LEU A 38 -5.644 -5.526 0.048 1.00 0.00 C ATOM 539 CD2 LEU A 38 -5.602 -5.269 -2.434 1.00 0.00 C ATOM 0 H LEU A 38 -9.868 -7.322 -1.370 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.589 -5.181 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.199 -6.305 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.113 -7.332 -1.324 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.968 -4.312 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.868 -4.764 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.279 -5.475 0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.181 -6.511 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.833 -4.504 -2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.129 -6.243 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.210 -5.047 -3.311 1.00 0.00 H new ATOM 551 N ILE A 39 -8.562 -6.900 -4.864 1.00 0.00 N ATOM 552 CA ILE A 39 -8.108 -7.590 -6.065 1.00 0.00 C ATOM 553 C ILE A 39 -6.808 -6.993 -6.595 1.00 0.00 C ATOM 554 O ILE A 39 -5.912 -7.718 -7.025 1.00 0.00 O ATOM 555 CB ILE A 39 -9.173 -7.543 -7.180 1.00 0.00 C ATOM 556 CG1 ILE A 39 -9.537 -6.092 -7.511 1.00 0.00 C ATOM 557 CG2 ILE A 39 -10.409 -8.328 -6.764 1.00 0.00 C ATOM 558 CD1 ILE A 39 -10.512 -5.956 -8.661 1.00 0.00 C ATOM 0 H ILE A 39 -9.409 -6.346 -4.992 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.934 -8.628 -5.780 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.760 -8.004 -8.077 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.966 -5.623 -6.625 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.626 -5.544 -7.752 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.152 -8.286 -7.561 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.135 -9.366 -6.578 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.827 -7.894 -5.855 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.722 -4.901 -8.837 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.078 -6.394 -9.560 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.439 -6.475 -8.416 1.00 0.00 H new ATOM 570 N GLY A 40 -6.717 -5.668 -6.572 1.00 0.00 N ATOM 571 CA GLY A 40 -5.527 -5.000 -7.063 1.00 0.00 C ATOM 572 C GLY A 40 -4.714 -4.353 -5.959 1.00 0.00 C ATOM 573 O GLY A 40 -5.267 -3.728 -5.054 1.00 0.00 O ATOM 0 H GLY A 40 -7.445 -5.045 -6.222 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.903 -5.722 -7.591 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.817 -4.239 -7.787 1.00 0.00 H new ATOM 577 N LEU A 41 -3.397 -4.498 -6.042 1.00 0.00 N ATOM 578 CA LEU A 41 -2.494 -3.921 -5.054 1.00 0.00 C ATOM 579 C LEU A 41 -1.170 -3.562 -5.719 1.00 0.00 C ATOM 580 O LEU A 41 -0.570 -4.387 -6.407 1.00 0.00 O ATOM 581 CB LEU A 41 -2.267 -4.914 -3.903 1.00 0.00 C ATOM 582 CG LEU A 41 -1.626 -4.343 -2.628 1.00 0.00 C ATOM 583 CD1 LEU A 41 -0.187 -3.915 -2.875 1.00 0.00 C ATOM 584 CD2 LEU A 41 -2.444 -3.175 -2.093 1.00 0.00 C ATOM 0 H LEU A 41 -2.929 -5.013 -6.788 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.940 -3.015 -4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.228 -5.353 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.637 -5.724 -4.269 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.616 -5.135 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.237 -3.516 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.398 -4.775 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.163 -3.147 -3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.974 -2.785 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.491 -2.389 -2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.453 -3.514 -1.859 1.00 0.00 H new ATOM 596 N THR A 42 -0.723 -2.327 -5.516 1.00 0.00 N ATOM 597 CA THR A 42 0.527 -1.861 -6.106 1.00 0.00 C ATOM 598 C THR A 42 1.178 -0.771 -5.267 1.00 0.00 C ATOM 599 O THR A 42 0.510 0.139 -4.776 1.00 0.00 O ATOM 600 CB THR A 42 0.314 -1.310 -7.530 1.00 0.00 C ATOM 601 OG1 THR A 42 -0.836 -0.456 -7.558 1.00 0.00 O ATOM 602 CG2 THR A 42 0.152 -2.435 -8.541 1.00 0.00 C ATOM 0 H THR A 42 -1.207 -1.631 -4.948 1.00 0.00 H new ATOM 0 HA THR A 42 1.182 -2.732 -6.143 1.00 0.00 H new ATOM 0 HB THR A 42 1.199 -0.735 -7.805 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.964 -0.109 -8.465 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.004 -2.013 -9.535 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.048 -3.056 -8.541 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.712 -3.044 -8.273 1.00 0.00 H new ATOM 610 N ILE A 43 2.495 -0.864 -5.132 1.00 0.00 N ATOM 611 CA ILE A 43 3.267 0.114 -4.384 1.00 0.00 C ATOM 612 C ILE A 43 4.408 0.625 -5.250 1.00 0.00 C ATOM 613 O ILE A 43 5.165 -0.164 -5.816 1.00 0.00 O ATOM 614 CB ILE A 43 3.836 -0.483 -3.082 1.00 0.00 C ATOM 615 CG1 ILE A 43 2.696 -0.952 -2.172 1.00 0.00 C ATOM 616 CG2 ILE A 43 4.710 0.541 -2.370 1.00 0.00 C ATOM 617 CD1 ILE A 43 3.166 -1.594 -0.884 1.00 0.00 C ATOM 0 H ILE A 43 3.053 -1.616 -5.536 1.00 0.00 H new ATOM 0 HA ILE A 43 2.601 0.934 -4.113 1.00 0.00 H new ATOM 0 HB ILE A 43 4.454 -1.346 -3.330 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.062 -0.099 -1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.078 -1.665 -2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.105 0.106 -1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.536 0.829 -3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.115 1.421 -2.128 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.302 -1.900 -0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.776 -2.468 -1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.759 -0.877 -0.316 1.00 0.00 H new ATOM 629 N CYS A 44 4.511 1.943 -5.376 1.00 0.00 N ATOM 630 CA CYS A 44 5.545 2.545 -6.206 1.00 0.00 C ATOM 631 C CYS A 44 5.414 2.033 -7.635 1.00 0.00 C ATOM 632 O CYS A 44 6.410 1.819 -8.328 1.00 0.00 O ATOM 633 CB CYS A 44 6.937 2.225 -5.656 1.00 0.00 C ATOM 634 SG CYS A 44 7.206 2.787 -3.959 1.00 0.00 S ATOM 0 H CYS A 44 3.894 2.612 -4.916 1.00 0.00 H new ATOM 0 HA CYS A 44 5.417 3.627 -6.196 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.095 1.147 -5.700 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.686 2.683 -6.302 1.00 0.00 H new ATOM 0 HG CYS A 44 7.684 1.809 -3.249 1.00 0.00 H new ATOM 640 N GLY A 45 4.169 1.833 -8.065 1.00 0.00 N ATOM 641 CA GLY A 45 3.909 1.339 -9.405 1.00 0.00 C ATOM 642 C GLY A 45 4.154 -0.156 -9.539 1.00 0.00 C ATOM 643 O GLY A 45 3.556 -0.813 -10.391 1.00 0.00 O ATOM 0 H GLY A 45 3.334 2.006 -7.505 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.876 1.559 -9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.544 1.872 -10.113 1.00 0.00 H new ATOM 647 N HIS A 46 5.038 -0.693 -8.700 1.00 0.00 N ATOM 648 CA HIS A 46 5.366 -2.116 -8.731 1.00 0.00 C ATOM 649 C HIS A 46 4.260 -2.956 -8.091 1.00 0.00 C ATOM 650 O HIS A 46 3.753 -2.620 -7.022 1.00 0.00 O ATOM 651 CB HIS A 46 6.691 -2.367 -8.008 1.00 0.00 C ATOM 652 CG HIS A 46 7.197 -3.769 -8.161 1.00 0.00 C ATOM 653 ND1 HIS A 46 7.426 -4.735 -7.240 1.00 0.00 N flip ATOM 654 CD2 HIS A 46 7.533 -4.319 -9.381 1.00 0.00 C flip ATOM 655 CE1 HIS A 46 7.889 -5.838 -7.914 1.00 0.00 C flip ATOM 656 NE2 HIS A 46 7.944 -5.562 -9.204 1.00 0.00 N flip ATOM 0 H HIS A 46 5.541 -0.162 -7.989 1.00 0.00 H new ATOM 0 HA HIS A 46 5.460 -2.415 -9.775 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.441 -1.674 -8.389 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.565 -2.148 -6.948 1.00 0.00 H new ATOM 0 HD1 HIS A 46 7.281 -4.658 -6.233 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.470 -3.812 -10.333 1.00 0.00 H new ATOM 0 HE1 HIS A 46 8.164 -6.780 -7.462 1.00 0.00 H new ATOM 665 N ASN A 47 3.898 -4.053 -8.753 1.00 0.00 N ATOM 666 CA ASN A 47 2.859 -4.950 -8.251 1.00 0.00 C ATOM 667 C ASN A 47 3.374 -5.759 -7.060 1.00 0.00 C ATOM 668 O ASN A 47 4.495 -6.266 -7.087 1.00 0.00 O ATOM 669 CB ASN A 47 2.400 -5.895 -9.368 1.00 0.00 C ATOM 670 CG ASN A 47 1.207 -6.755 -8.979 1.00 0.00 C ATOM 671 OD1 ASN A 47 0.613 -6.477 -7.822 1.00 0.00 O flip ATOM 672 ND2 ASN A 47 0.811 -7.652 -9.723 1.00 0.00 N flip ATOM 0 H ASN A 47 4.310 -4.343 -9.640 1.00 0.00 H new ATOM 0 HA ASN A 47 2.012 -4.349 -7.920 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.143 -5.307 -10.249 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.230 -6.543 -9.649 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.293 -7.835 -10.603 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.000 -8.212 -9.460 1.00 0.00 H new ATOM 679 N CYS A 48 2.550 -5.877 -6.019 1.00 0.00 N ATOM 680 CA CYS A 48 2.931 -6.625 -4.822 1.00 0.00 C ATOM 681 C CYS A 48 1.705 -7.191 -4.108 1.00 0.00 C ATOM 682 O CYS A 48 1.621 -7.158 -2.879 1.00 0.00 O ATOM 683 CB CYS A 48 3.717 -5.729 -3.860 1.00 0.00 C ATOM 684 SG CYS A 48 5.286 -5.122 -4.520 1.00 0.00 S ATOM 0 H CYS A 48 1.617 -5.466 -5.981 1.00 0.00 H new ATOM 0 HA CYS A 48 3.561 -7.456 -5.139 1.00 0.00 H new ATOM 0 HB2 CYS A 48 3.096 -4.875 -3.589 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.913 -6.285 -2.943 1.00 0.00 H new ATOM 0 HG CYS A 48 5.396 -5.470 -5.768 1.00 0.00 H new ATOM 690 N LEU A 49 0.759 -7.716 -4.881 1.00 0.00 N ATOM 691 CA LEU A 49 -0.457 -8.293 -4.315 1.00 0.00 C ATOM 692 C LEU A 49 -0.162 -9.613 -3.608 1.00 0.00 C ATOM 693 O LEU A 49 -0.678 -9.874 -2.521 1.00 0.00 O ATOM 694 CB LEU A 49 -1.503 -8.516 -5.412 1.00 0.00 C ATOM 695 CG LEU A 49 -2.800 -9.185 -4.949 1.00 0.00 C ATOM 696 CD1 LEU A 49 -3.548 -8.293 -3.968 1.00 0.00 C ATOM 697 CD2 LEU A 49 -3.677 -9.525 -6.143 1.00 0.00 C ATOM 0 H LEU A 49 0.810 -7.754 -5.899 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.850 -7.589 -3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.749 -7.553 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.058 -9.127 -6.197 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.544 -10.111 -4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.466 -8.789 -3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.920 -8.103 -3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.794 -7.347 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.595 -10.000 -5.797 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.923 -8.612 -6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.143 -10.207 -6.804 1.00 0.00 H new ATOM 709 N LEU A 50 0.661 -10.444 -4.242 1.00 0.00 N ATOM 710 CA LEU A 50 1.023 -11.749 -3.690 1.00 0.00 C ATOM 711 C LEU A 50 1.493 -11.636 -2.241 1.00 0.00 C ATOM 712 O LEU A 50 1.138 -12.462 -1.399 1.00 0.00 O ATOM 713 CB LEU A 50 2.118 -12.411 -4.537 1.00 0.00 C ATOM 714 CG LEU A 50 3.491 -11.725 -4.510 1.00 0.00 C ATOM 715 CD1 LEU A 50 4.543 -12.626 -5.136 1.00 0.00 C ATOM 716 CD2 LEU A 50 3.448 -10.387 -5.236 1.00 0.00 C ATOM 0 H LEU A 50 1.092 -10.237 -5.143 1.00 0.00 H new ATOM 0 HA LEU A 50 0.127 -12.369 -3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.240 -13.440 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.775 -12.454 -5.571 1.00 0.00 H new ATOM 0 HG LEU A 50 3.756 -11.540 -3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.512 -12.127 -5.110 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.601 -13.560 -4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.272 -12.838 -6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.434 -9.923 -5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.158 -10.546 -6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.722 -9.734 -4.752 1.00 0.00 H new ATOM 728 N THR A 51 2.295 -10.615 -1.957 1.00 0.00 N ATOM 729 CA THR A 51 2.817 -10.401 -0.613 1.00 0.00 C ATOM 730 C THR A 51 1.785 -9.724 0.283 1.00 0.00 C ATOM 731 O THR A 51 1.699 -10.017 1.476 1.00 0.00 O ATOM 732 CB THR A 51 4.101 -9.549 -0.636 1.00 0.00 C ATOM 733 OG1 THR A 51 3.842 -8.287 -1.264 1.00 0.00 O ATOM 734 CG2 THR A 51 5.219 -10.272 -1.376 1.00 0.00 C ATOM 0 H THR A 51 2.598 -9.922 -2.641 1.00 0.00 H new ATOM 0 HA THR A 51 3.051 -11.386 -0.208 1.00 0.00 H new ATOM 0 HB THR A 51 4.418 -9.383 0.394 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.987 -8.328 -1.741 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.115 -9.651 -1.379 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.434 -11.217 -0.877 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.909 -10.467 -2.403 1.00 0.00 H new ATOM 742 N ALA A 52 1.011 -8.812 -0.297 1.00 0.00 N ATOM 743 CA ALA A 52 -0.010 -8.084 0.451 1.00 0.00 C ATOM 744 C ALA A 52 -1.018 -9.030 1.098 1.00 0.00 C ATOM 745 O ALA A 52 -1.519 -9.955 0.459 1.00 0.00 O ATOM 746 CB ALA A 52 -0.723 -7.095 -0.459 1.00 0.00 C ATOM 0 H ALA A 52 1.071 -8.559 -1.283 1.00 0.00 H new ATOM 0 HA ALA A 52 0.491 -7.538 1.251 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.482 -6.558 0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.001 -6.384 -0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.198 -7.633 -1.280 1.00 0.00 H new ATOM 752 N GLU A 53 -1.313 -8.781 2.372 1.00 0.00 N ATOM 753 CA GLU A 53 -2.266 -9.597 3.118 1.00 0.00 C ATOM 754 C GLU A 53 -3.340 -8.721 3.755 1.00 0.00 C ATOM 755 O GLU A 53 -3.034 -7.722 4.406 1.00 0.00 O ATOM 756 CB GLU A 53 -1.545 -10.404 4.199 1.00 0.00 C ATOM 757 CG GLU A 53 -2.470 -11.299 5.009 1.00 0.00 C ATOM 758 CD GLU A 53 -1.736 -12.087 6.078 1.00 0.00 C ATOM 759 OE1 GLU A 53 -0.500 -11.934 6.187 1.00 0.00 O ATOM 760 OE2 GLU A 53 -2.396 -12.858 6.805 1.00 0.00 O ATOM 0 H GLU A 53 -0.904 -8.017 2.910 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.744 -10.286 2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.777 -11.019 3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.035 -9.717 4.874 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.240 -10.688 5.479 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.978 -11.991 4.338 1.00 0.00 H new ATOM 767 N TRP A 54 -4.599 -9.101 3.566 1.00 0.00 N ATOM 768 CA TRP A 54 -5.719 -8.350 4.122 1.00 0.00 C ATOM 769 C TRP A 54 -5.781 -8.501 5.641 1.00 0.00 C ATOM 770 O TRP A 54 -5.450 -9.556 6.183 1.00 0.00 O ATOM 771 CB TRP A 54 -7.036 -8.822 3.507 1.00 0.00 C ATOM 772 CG TRP A 54 -8.199 -7.950 3.866 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.605 -6.819 3.219 1.00 0.00 C ATOM 774 CD2 TRP A 54 -9.089 -8.121 4.974 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.705 -6.286 3.847 1.00 0.00 N ATOM 776 CE2 TRP A 54 -10.019 -7.066 4.929 1.00 0.00 C ATOM 777 CE3 TRP A 54 -9.194 -9.068 5.997 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -11.039 -6.932 5.867 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -10.205 -8.933 6.929 1.00 0.00 C ATOM 780 CH2 TRP A 54 -11.117 -7.872 6.858 1.00 0.00 C ATOM 0 H TRP A 54 -4.870 -9.926 3.031 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.566 -7.298 3.882 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.933 -8.852 2.422 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -7.239 -9.841 3.836 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.131 -6.404 2.342 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -10.206 -5.447 3.555 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.497 -9.891 6.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.744 -6.115 5.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -10.294 -9.657 7.725 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.897 -7.795 7.601 1.00 0.00 H new ATOM 791 N MET A 55 -6.220 -7.445 6.320 1.00 0.00 N ATOM 792 CA MET A 55 -6.341 -7.464 7.775 1.00 0.00 C ATOM 793 C MET A 55 -7.656 -6.831 8.213 1.00 0.00 C ATOM 794 O MET A 55 -8.423 -7.431 8.967 1.00 0.00 O ATOM 795 CB MET A 55 -5.174 -6.720 8.425 1.00 0.00 C ATOM 796 CG MET A 55 -3.819 -7.363 8.178 1.00 0.00 C ATOM 797 SD MET A 55 -3.710 -9.029 8.856 1.00 0.00 S ATOM 798 CE MET A 55 -1.984 -9.403 8.559 1.00 0.00 C ATOM 0 H MET A 55 -6.498 -6.565 5.886 1.00 0.00 H new ATOM 0 HA MET A 55 -6.322 -8.505 8.098 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.154 -5.697 8.049 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.347 -6.661 9.500 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.627 -7.398 7.106 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.040 -6.742 8.621 1.00 0.00 H new ATOM 0 HE1 MET A 55 -1.816 -10.472 8.690 1.00 0.00 H new ATOM 0 HE2 MET A 55 -1.719 -9.116 7.541 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.365 -8.849 9.265 1.00 0.00 H new ATOM 808 N SER A 56 -7.913 -5.619 7.732 1.00 0.00 N ATOM 809 CA SER A 56 -9.138 -4.904 8.066 1.00 0.00 C ATOM 810 C SER A 56 -9.407 -3.803 7.047 1.00 0.00 C ATOM 811 O SER A 56 -8.718 -3.705 6.032 1.00 0.00 O ATOM 812 CB SER A 56 -9.040 -4.302 9.471 1.00 0.00 C ATOM 813 OG SER A 56 -8.860 -5.310 10.451 1.00 0.00 O ATOM 0 H SER A 56 -7.287 -5.111 7.108 1.00 0.00 H new ATOM 0 HA SER A 56 -9.965 -5.614 8.044 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.207 -3.600 9.511 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.945 -3.736 9.690 1.00 0.00 H new ATOM 0 HG SER A 56 -9.068 -6.185 10.062 1.00 0.00 H new ATOM 819 N ALA A 57 -10.412 -2.979 7.322 1.00 0.00 N ATOM 820 CA ALA A 57 -10.767 -1.887 6.426 1.00 0.00 C ATOM 821 C ALA A 57 -9.845 -0.688 6.625 1.00 0.00 C ATOM 822 O ALA A 57 -10.299 0.458 6.631 1.00 0.00 O ATOM 823 CB ALA A 57 -12.219 -1.482 6.637 1.00 0.00 C ATOM 0 H ALA A 57 -10.994 -3.047 8.157 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.644 -2.237 5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.471 -0.665 5.961 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.868 -2.334 6.434 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.360 -1.157 7.668 1.00 0.00 H new ATOM 829 N SER A 58 -8.550 -0.955 6.787 1.00 0.00 N ATOM 830 CA SER A 58 -7.572 0.110 6.987 1.00 0.00 C ATOM 831 C SER A 58 -6.145 -0.433 7.032 1.00 0.00 C ATOM 832 O SER A 58 -5.248 0.113 6.388 1.00 0.00 O ATOM 833 CB SER A 58 -7.875 0.869 8.281 1.00 0.00 C ATOM 834 OG SER A 58 -6.935 1.906 8.498 1.00 0.00 O ATOM 0 H SER A 58 -8.156 -1.896 6.784 1.00 0.00 H new ATOM 0 HA SER A 58 -7.648 0.788 6.137 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.880 1.289 8.233 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.859 0.178 9.124 1.00 0.00 H new ATOM 0 HG SER A 58 -7.360 2.773 8.330 1.00 0.00 H new ATOM 840 N LYS A 59 -5.932 -1.498 7.802 1.00 0.00 N ATOM 841 CA LYS A 59 -4.603 -2.089 7.929 1.00 0.00 C ATOM 842 C LYS A 59 -4.344 -3.129 6.844 1.00 0.00 C ATOM 843 O LYS A 59 -5.200 -3.965 6.553 1.00 0.00 O ATOM 844 CB LYS A 59 -4.430 -2.725 9.309 1.00 0.00 C ATOM 845 CG LYS A 59 -3.064 -3.364 9.513 1.00 0.00 C ATOM 846 CD LYS A 59 -2.941 -4.005 10.886 1.00 0.00 C ATOM 847 CE LYS A 59 -3.034 -2.974 12.000 1.00 0.00 C ATOM 848 NZ LYS A 59 -1.930 -1.980 11.929 1.00 0.00 N ATOM 0 H LYS A 59 -6.658 -1.967 8.344 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.876 -1.286 7.809 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.585 -1.964 10.074 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.202 -3.481 9.452 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.896 -4.118 8.744 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.288 -2.608 9.394 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.728 -4.749 11.012 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.990 -4.532 10.957 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.992 -2.458 11.938 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.006 -3.479 12.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.067 -1.256 12.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.020 -2.460 12.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.930 -1.528 10.993 1.00 0.00 H new ATOM 862 N ILE A 60 -3.147 -3.077 6.264 1.00 0.00 N ATOM 863 CA ILE A 60 -2.751 -4.016 5.219 1.00 0.00 C ATOM 864 C ILE A 60 -1.241 -4.238 5.243 1.00 0.00 C ATOM 865 O ILE A 60 -0.465 -3.309 5.023 1.00 0.00 O ATOM 866 CB ILE A 60 -3.155 -3.514 3.815 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.674 -3.344 3.716 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.656 -4.478 2.747 1.00 0.00 C ATOM 869 CD1 ILE A 60 -5.138 -2.779 2.390 1.00 0.00 C ATOM 0 H ILE A 60 -2.431 -2.390 6.502 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.271 -4.953 5.421 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.692 -2.541 3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.150 -4.311 3.875 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.010 -2.687 4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.947 -4.113 1.762 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.570 -4.550 2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.093 -5.463 2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.224 -2.687 2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.691 -1.797 2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.833 -3.446 1.584 1.00 0.00 H new ATOM 881 N VAL A 61 -0.831 -5.475 5.509 1.00 0.00 N ATOM 882 CA VAL A 61 0.587 -5.817 5.557 1.00 0.00 C ATOM 883 C VAL A 61 1.119 -6.135 4.164 1.00 0.00 C ATOM 884 O VAL A 61 0.593 -7.009 3.477 1.00 0.00 O ATOM 885 CB VAL A 61 0.839 -7.023 6.483 1.00 0.00 C ATOM 886 CG1 VAL A 61 2.325 -7.343 6.562 1.00 0.00 C ATOM 887 CG2 VAL A 61 0.267 -6.760 7.867 1.00 0.00 C ATOM 0 H VAL A 61 -1.460 -6.256 5.694 1.00 0.00 H new ATOM 0 HA VAL A 61 1.114 -4.949 5.954 1.00 0.00 H new ATOM 0 HB VAL A 61 0.331 -7.891 6.062 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.479 -8.197 7.221 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.699 -7.581 5.566 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.863 -6.480 6.955 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.454 -7.622 8.508 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.744 -5.879 8.296 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.807 -6.591 7.791 1.00 0.00 H new ATOM 897 N CYS A 62 2.165 -5.425 3.752 1.00 0.00 N ATOM 898 CA CYS A 62 2.761 -5.641 2.437 1.00 0.00 C ATOM 899 C CYS A 62 4.068 -4.871 2.290 1.00 0.00 C ATOM 900 O CYS A 62 4.202 -3.754 2.791 1.00 0.00 O ATOM 901 CB CYS A 62 1.786 -5.221 1.335 1.00 0.00 C ATOM 902 SG CYS A 62 1.339 -3.471 1.373 1.00 0.00 S ATOM 0 H CYS A 62 2.616 -4.698 4.307 1.00 0.00 H new ATOM 0 HA CYS A 62 2.977 -6.705 2.340 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.229 -5.451 0.366 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.878 -5.819 1.420 1.00 0.00 H new ATOM 0 HG CYS A 62 2.282 -2.795 1.960 1.00 0.00 H new ATOM 908 N ARG A 63 5.026 -5.470 1.591 1.00 0.00 N ATOM 909 CA ARG A 63 6.318 -4.834 1.368 1.00 0.00 C ATOM 910 C ARG A 63 6.246 -3.895 0.171 1.00 0.00 C ATOM 911 O ARG A 63 5.727 -4.258 -0.885 1.00 0.00 O ATOM 912 CB ARG A 63 7.402 -5.889 1.140 1.00 0.00 C ATOM 913 CG ARG A 63 7.598 -6.826 2.320 1.00 0.00 C ATOM 914 CD ARG A 63 8.693 -7.845 2.047 1.00 0.00 C ATOM 915 NE ARG A 63 8.896 -8.744 3.179 1.00 0.00 N ATOM 916 CZ ARG A 63 9.797 -9.722 3.194 1.00 0.00 C ATOM 917 NH1 ARG A 63 10.579 -9.925 2.142 1.00 0.00 N ATOM 918 NH2 ARG A 63 9.917 -10.498 4.263 1.00 0.00 N ATOM 0 H ARG A 63 4.932 -6.394 1.170 1.00 0.00 H new ATOM 0 HA ARG A 63 6.574 -4.255 2.256 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.145 -6.477 0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.346 -5.388 0.925 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.852 -6.247 3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.663 -7.344 2.534 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.434 -8.428 1.163 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.625 -7.325 1.825 1.00 0.00 H new ATOM 0 HE ARG A 63 8.313 -8.615 4.006 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.490 -9.330 1.318 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.269 -10.676 2.157 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.318 -10.345 5.074 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.608 -11.248 4.274 1.00 0.00 H new ATOM 932 N VAL A 64 6.761 -2.683 0.345 1.00 0.00 N ATOM 933 CA VAL A 64 6.746 -1.687 -0.718 1.00 0.00 C ATOM 934 C VAL A 64 7.490 -2.176 -1.958 1.00 0.00 C ATOM 935 O VAL A 64 8.639 -2.611 -1.882 1.00 0.00 O ATOM 936 CB VAL A 64 7.355 -0.355 -0.242 1.00 0.00 C ATOM 937 CG1 VAL A 64 6.438 0.313 0.770 1.00 0.00 C ATOM 938 CG2 VAL A 64 8.735 -0.581 0.356 1.00 0.00 C ATOM 0 H VAL A 64 7.194 -2.367 1.213 1.00 0.00 H new ATOM 0 HA VAL A 64 5.701 -1.524 -0.983 1.00 0.00 H new ATOM 0 HB VAL A 64 7.460 0.305 -1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.881 1.253 1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.470 0.509 0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.305 -0.344 1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.149 0.372 0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.656 -1.257 1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.390 -1.020 -0.397 1.00 0.00 H new ATOM 1052 N GLY A 72 6.135 7.576 -4.677 1.00 0.00 N ATOM 1053 CA GLY A 72 5.872 6.475 -3.766 1.00 0.00 C ATOM 1054 C GLY A 72 4.446 6.460 -3.243 1.00 0.00 C ATOM 1055 O GLY A 72 4.221 6.256 -2.050 1.00 0.00 O ATOM 0 HA2 GLY A 72 6.075 5.533 -4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.561 6.536 -2.923 1.00 0.00 H new ATOM 1059 N ASP A 73 3.482 6.666 -4.136 1.00 0.00 N ATOM 1060 CA ASP A 73 2.071 6.665 -3.755 1.00 0.00 C ATOM 1061 C ASP A 73 1.571 5.242 -3.517 1.00 0.00 C ATOM 1062 O ASP A 73 1.761 4.360 -4.354 1.00 0.00 O ATOM 1063 CB ASP A 73 1.225 7.336 -4.839 1.00 0.00 C ATOM 1064 CG ASP A 73 1.558 8.804 -5.010 1.00 0.00 C ATOM 1065 OD1 ASP A 73 2.414 9.312 -4.257 1.00 0.00 O ATOM 1066 OD2 ASP A 73 0.958 9.449 -5.896 1.00 0.00 O ATOM 0 H ASP A 73 3.651 6.836 -5.128 1.00 0.00 H new ATOM 0 HA ASP A 73 1.974 7.228 -2.826 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.378 6.819 -5.786 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.170 7.233 -4.587 1.00 0.00 H new ATOM 1071 N ILE A 74 0.927 5.028 -2.373 1.00 0.00 N ATOM 1072 CA ILE A 74 0.396 3.713 -2.029 1.00 0.00 C ATOM 1073 C ILE A 74 -1.007 3.521 -2.605 1.00 0.00 C ATOM 1074 O ILE A 74 -2.002 3.882 -1.975 1.00 0.00 O ATOM 1075 CB ILE A 74 0.351 3.516 -0.499 1.00 0.00 C ATOM 1076 CG1 ILE A 74 1.745 3.724 0.103 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.180 2.130 -0.157 1.00 0.00 C ATOM 1078 CD1 ILE A 74 1.779 3.637 1.615 1.00 0.00 C ATOM 0 H ILE A 74 0.761 5.747 -1.669 1.00 0.00 H new ATOM 0 HA ILE A 74 1.065 2.970 -2.464 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.325 4.256 -0.071 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.423 2.977 -0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.121 4.700 -0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.205 2.007 0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.187 2.017 -0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.472 1.373 -0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.799 3.795 1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.127 4.402 2.038 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.435 2.652 1.931 1.00 0.00 H new ATOM 1090 N ILE A 75 -1.080 2.949 -3.805 1.00 0.00 N ATOM 1091 CA ILE A 75 -2.361 2.707 -4.465 1.00 0.00 C ATOM 1092 C ILE A 75 -2.961 1.372 -4.033 1.00 0.00 C ATOM 1093 O ILE A 75 -2.251 0.376 -3.897 1.00 0.00 O ATOM 1094 CB ILE A 75 -2.217 2.723 -6.002 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -1.593 4.042 -6.469 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -3.571 2.504 -6.668 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -2.409 5.267 -6.112 1.00 0.00 C ATOM 0 H ILE A 75 -0.267 2.644 -4.340 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.028 3.515 -4.163 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.555 1.908 -6.295 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.600 4.138 -6.030 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.461 4.008 -7.550 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.450 2.518 -7.751 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.976 1.540 -6.361 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.256 3.297 -6.369 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.902 6.161 -6.476 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.394 5.195 -6.573 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.519 5.328 -5.029 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.276 1.357 -3.828 1.00 0.00 N ATOM 1110 CA VAL A 76 -4.977 0.142 -3.421 1.00 0.00 C ATOM 1111 C VAL A 76 -6.311 0.021 -4.150 1.00 0.00 C ATOM 1112 O VAL A 76 -7.220 0.825 -3.941 1.00 0.00 O ATOM 1113 CB VAL A 76 -5.231 0.119 -1.900 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -5.926 -1.170 -1.490 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -3.928 0.298 -1.134 1.00 0.00 C ATOM 0 H VAL A 76 -4.878 2.173 -3.937 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.338 -0.701 -3.683 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.888 0.952 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.096 -1.165 -0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.882 -1.248 -2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.299 -2.021 -1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.130 0.279 -0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.242 -0.510 -1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.477 1.254 -1.401 1.00 0.00 H new ATOM 1125 N THR A 77 -6.421 -0.986 -5.010 1.00 0.00 N ATOM 1126 CA THR A 77 -7.640 -1.208 -5.776 1.00 0.00 C ATOM 1127 C THR A 77 -8.686 -1.955 -4.957 1.00 0.00 C ATOM 1128 O THR A 77 -8.355 -2.832 -4.158 1.00 0.00 O ATOM 1129 CB THR A 77 -7.355 -1.996 -7.069 1.00 0.00 C ATOM 1130 OG1 THR A 77 -6.332 -1.339 -7.826 1.00 0.00 O ATOM 1131 CG2 THR A 77 -8.612 -2.118 -7.916 1.00 0.00 C ATOM 0 H THR A 77 -5.679 -1.662 -5.194 1.00 0.00 H new ATOM 0 HA THR A 77 -8.029 -0.223 -6.036 1.00 0.00 H new ATOM 0 HB THR A 77 -7.021 -2.996 -6.792 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.155 -1.846 -8.646 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.386 -2.678 -8.823 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.383 -2.640 -7.350 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.969 -1.123 -8.183 1.00 0.00 H new ATOM 1139 N THR A 78 -9.950 -1.605 -5.168 1.00 0.00 N ATOM 1140 CA THR A 78 -11.053 -2.242 -4.460 1.00 0.00 C ATOM 1141 C THR A 78 -12.245 -2.441 -5.387 1.00 0.00 C ATOM 1142 O THR A 78 -12.614 -1.541 -6.142 1.00 0.00 O ATOM 1143 CB THR A 78 -11.497 -1.415 -3.238 1.00 0.00 C ATOM 1144 OG1 THR A 78 -11.877 -0.096 -3.648 1.00 0.00 O ATOM 1145 CG2 THR A 78 -10.382 -1.327 -2.206 1.00 0.00 C ATOM 0 H THR A 78 -10.236 -0.881 -5.826 1.00 0.00 H new ATOM 0 HA THR A 78 -10.692 -3.211 -4.114 1.00 0.00 H new ATOM 0 HB THR A 78 -12.352 -1.915 -2.784 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.159 0.421 -2.865 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.721 -0.738 -1.354 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.116 -2.330 -1.872 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.510 -0.850 -2.653 1.00 0.00 H new ATOM 1153 N LYS A 79 -12.839 -3.628 -5.332 1.00 0.00 N ATOM 1154 CA LYS A 79 -13.985 -3.952 -6.173 1.00 0.00 C ATOM 1155 C LYS A 79 -15.142 -2.992 -5.918 1.00 0.00 C ATOM 1156 O LYS A 79 -15.760 -2.491 -6.857 1.00 0.00 O ATOM 1157 CB LYS A 79 -14.424 -5.395 -5.927 1.00 0.00 C ATOM 1158 CG LYS A 79 -13.336 -6.410 -6.242 1.00 0.00 C ATOM 1159 CD LYS A 79 -13.778 -7.830 -5.926 1.00 0.00 C ATOM 1160 CE LYS A 79 -14.959 -8.257 -6.785 1.00 0.00 C ATOM 1161 NZ LYS A 79 -15.389 -9.650 -6.484 1.00 0.00 N ATOM 0 H LYS A 79 -12.545 -4.383 -4.712 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.686 -3.846 -7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.725 -5.505 -4.885 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.302 -5.611 -6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.067 -6.339 -7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.440 -6.172 -5.668 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.945 -8.514 -6.087 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.050 -7.900 -4.873 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.794 -7.576 -6.619 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.689 -8.180 -7.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.196 -9.903 -7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.601 -10.304 -6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.671 -9.718 -5.485 1.00 0.00 H new ATOM 1175 N SER A 80 -15.423 -2.727 -4.646 1.00 0.00 N ATOM 1176 CA SER A 80 -16.498 -1.811 -4.281 1.00 0.00 C ATOM 1177 C SER A 80 -16.208 -0.419 -4.830 1.00 0.00 C ATOM 1178 O SER A 80 -17.094 0.249 -5.364 1.00 0.00 O ATOM 1179 CB SER A 80 -16.659 -1.753 -2.760 1.00 0.00 C ATOM 1180 OG SER A 80 -16.938 -3.035 -2.226 1.00 0.00 O ATOM 0 H SER A 80 -14.924 -3.132 -3.854 1.00 0.00 H new ATOM 0 HA SER A 80 -17.429 -2.177 -4.715 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.748 -1.359 -2.310 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.465 -1.066 -2.503 1.00 0.00 H new ATOM 0 HG SER A 80 -17.034 -2.970 -1.253 1.00 0.00 H new ATOM 1186 N GLY A 81 -14.954 0.004 -4.700 1.00 0.00 N ATOM 1187 CA GLY A 81 -14.545 1.307 -5.190 1.00 0.00 C ATOM 1188 C GLY A 81 -13.544 1.201 -6.325 1.00 0.00 C ATOM 1189 O GLY A 81 -13.849 0.641 -7.378 1.00 0.00 O ATOM 0 H GLY A 81 -14.210 -0.537 -4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.422 1.857 -5.531 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.107 1.880 -4.373 1.00 0.00 H new ATOM 1193 N GLY A 82 -12.345 1.734 -6.107 1.00 0.00 N ATOM 1194 CA GLY A 82 -11.312 1.680 -7.127 1.00 0.00 C ATOM 1195 C GLY A 82 -9.920 1.857 -6.550 1.00 0.00 C ATOM 1196 O GLY A 82 -9.628 1.363 -5.460 1.00 0.00 O ATOM 0 H GLY A 82 -12.070 2.202 -5.243 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.368 0.724 -7.647 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.497 2.457 -7.869 1.00 0.00 H new ATOM 1200 N LYS A 83 -9.059 2.560 -7.278 1.00 0.00 N ATOM 1201 CA LYS A 83 -7.692 2.795 -6.823 1.00 0.00 C ATOM 1202 C LYS A 83 -7.668 3.762 -5.645 1.00 0.00 C ATOM 1203 O LYS A 83 -8.287 4.826 -5.688 1.00 0.00 O ATOM 1204 CB LYS A 83 -6.830 3.337 -7.964 1.00 0.00 C ATOM 1205 CG LYS A 83 -6.637 2.347 -9.103 1.00 0.00 C ATOM 1206 CD LYS A 83 -5.773 2.926 -10.214 1.00 0.00 C ATOM 1207 CE LYS A 83 -6.434 4.128 -10.872 1.00 0.00 C ATOM 1208 NZ LYS A 83 -5.593 4.693 -11.964 1.00 0.00 N ATOM 0 H LYS A 83 -9.282 2.976 -8.182 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.280 1.841 -6.494 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.289 4.244 -8.356 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.854 3.619 -7.569 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.175 1.437 -8.720 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.609 2.065 -9.508 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.806 3.220 -9.807 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.583 2.159 -10.965 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.403 3.834 -11.275 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.620 4.897 -10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.077 5.510 -12.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.677 4.996 -11.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.437 3.967 -12.692 1.00 0.00 H new ATOM 1222 N GLY A 84 -6.950 3.384 -4.594 1.00 0.00 N ATOM 1223 CA GLY A 84 -6.853 4.222 -3.415 1.00 0.00 C ATOM 1224 C GLY A 84 -5.807 5.310 -3.556 1.00 0.00 C ATOM 1225 O GLY A 84 -4.704 5.059 -4.042 1.00 0.00 O ATOM 0 H GLY A 84 -6.431 2.508 -4.538 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.823 4.679 -3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.612 3.601 -2.552 1.00 0.00 H new ATOM 1229 N THR A 85 -6.150 6.518 -3.122 1.00 0.00 N ATOM 1230 CA THR A 85 -5.230 7.647 -3.192 1.00 0.00 C ATOM 1231 C THR A 85 -4.555 7.870 -1.844 1.00 0.00 C ATOM 1232 O THR A 85 -5.189 7.745 -0.796 1.00 0.00 O ATOM 1233 CB THR A 85 -5.955 8.938 -3.615 1.00 0.00 C ATOM 1234 OG1 THR A 85 -6.974 9.263 -2.662 1.00 0.00 O ATOM 1235 CG2 THR A 85 -6.575 8.782 -4.994 1.00 0.00 C ATOM 0 H THR A 85 -7.060 6.740 -2.718 1.00 0.00 H new ATOM 0 HA THR A 85 -4.478 7.407 -3.943 1.00 0.00 H new ATOM 0 HB THR A 85 -5.223 9.745 -3.652 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.429 10.086 -2.937 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.082 9.706 -5.272 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.793 8.564 -5.722 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.295 7.964 -4.979 1.00 0.00 H new ATOM 1243 N SER A 86 -3.264 8.191 -1.873 1.00 0.00 N ATOM 1244 CA SER A 86 -2.512 8.417 -0.644 1.00 0.00 C ATOM 1245 C SER A 86 -1.750 9.733 -0.684 1.00 0.00 C ATOM 1246 O SER A 86 -1.000 10.003 -1.623 1.00 0.00 O ATOM 1247 CB SER A 86 -1.527 7.273 -0.404 1.00 0.00 C ATOM 1248 OG SER A 86 -0.732 7.517 0.743 1.00 0.00 O ATOM 0 H SER A 86 -2.720 8.300 -2.729 1.00 0.00 H new ATOM 0 HA SER A 86 -3.234 8.461 0.172 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.074 6.338 -0.279 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.885 7.153 -1.277 1.00 0.00 H new ATOM 0 HG SER A 86 0.118 7.922 0.472 1.00 0.00 H new ATOM 1254 N THR A 87 -1.930 10.536 0.357 1.00 0.00 N ATOM 1255 CA THR A 87 -1.245 11.814 0.468 1.00 0.00 C ATOM 1256 C THR A 87 0.213 11.592 0.851 1.00 0.00 C ATOM 1257 O THR A 87 1.105 12.312 0.402 1.00 0.00 O ATOM 1258 CB THR A 87 -1.910 12.721 1.520 1.00 0.00 C ATOM 1259 OG1 THR A 87 -1.876 12.087 2.804 1.00 0.00 O ATOM 1260 CG2 THR A 87 -3.351 13.025 1.138 1.00 0.00 C ATOM 0 H THR A 87 -2.548 10.322 1.139 1.00 0.00 H new ATOM 0 HA THR A 87 -1.306 12.307 -0.502 1.00 0.00 H new ATOM 0 HB THR A 87 -1.356 13.659 1.563 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.299 12.670 3.468 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.801 13.667 1.896 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.372 13.532 0.173 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.914 12.094 1.071 1.00 0.00 H new ATOM 1268 N VAL A 88 0.437 10.581 1.687 1.00 0.00 N ATOM 1269 CA VAL A 88 1.778 10.237 2.147 1.00 0.00 C ATOM 1270 C VAL A 88 2.483 9.317 1.155 1.00 0.00 C ATOM 1271 O VAL A 88 1.838 8.658 0.340 1.00 0.00 O ATOM 1272 CB VAL A 88 1.741 9.554 3.528 1.00 0.00 C ATOM 1273 CG1 VAL A 88 1.173 10.498 4.576 1.00 0.00 C ATOM 1274 CG2 VAL A 88 0.933 8.266 3.467 1.00 0.00 C ATOM 0 H VAL A 88 -0.299 9.983 2.061 1.00 0.00 H new ATOM 0 HA VAL A 88 2.333 11.172 2.227 1.00 0.00 H new ATOM 0 HB VAL A 88 2.762 9.302 3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.155 9.998 5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.797 11.389 4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.159 10.784 4.296 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.919 7.799 4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.088 8.491 3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.388 7.585 2.748 1.00 0.00 H new ATOM 1284 N SER A 89 3.809 9.277 1.233 1.00 0.00 N ATOM 1285 CA SER A 89 4.603 8.436 0.343 1.00 0.00 C ATOM 1286 C SER A 89 5.843 7.908 1.057 1.00 0.00 C ATOM 1287 O SER A 89 6.512 8.639 1.787 1.00 0.00 O ATOM 1288 CB SER A 89 5.008 9.217 -0.906 1.00 0.00 C ATOM 1289 OG SER A 89 3.868 9.630 -1.639 1.00 0.00 O ATOM 0 H SER A 89 4.357 9.817 1.903 1.00 0.00 H new ATOM 0 HA SER A 89 3.990 7.585 0.044 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.596 10.089 -0.619 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.645 8.597 -1.536 1.00 0.00 H new ATOM 0 HG SER A 89 3.867 9.193 -2.516 1.00 0.00 H new ATOM 1295 N PHE A 90 6.135 6.628 0.844 1.00 0.00 N ATOM 1296 CA PHE A 90 7.286 5.987 1.470 1.00 0.00 C ATOM 1297 C PHE A 90 8.554 6.192 0.647 1.00 0.00 C ATOM 1298 O PHE A 90 8.576 5.919 -0.554 1.00 0.00 O ATOM 1299 CB PHE A 90 7.023 4.489 1.644 1.00 0.00 C ATOM 1300 CG PHE A 90 8.153 3.751 2.304 1.00 0.00 C ATOM 1301 CD1 PHE A 90 8.581 4.103 3.573 1.00 0.00 C ATOM 1302 CD2 PHE A 90 8.787 2.705 1.654 1.00 0.00 C ATOM 1303 CE1 PHE A 90 9.621 3.428 4.180 1.00 0.00 C ATOM 1304 CE2 PHE A 90 9.828 2.025 2.257 1.00 0.00 C ATOM 1305 CZ PHE A 90 10.245 2.387 3.522 1.00 0.00 C ATOM 0 H PHE A 90 5.588 6.013 0.241 1.00 0.00 H new ATOM 0 HA PHE A 90 7.434 6.449 2.446 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.118 4.354 2.236 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.833 4.046 0.666 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.096 4.915 4.094 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.464 2.417 0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.946 3.714 5.169 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.315 1.212 1.739 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.058 1.857 3.996 1.00 0.00 H new ATOM 1315 N LYS A 91 9.613 6.656 1.304 1.00 0.00 N ATOM 1316 CA LYS A 91 10.889 6.877 0.635 1.00 0.00 C ATOM 1317 C LYS A 91 11.679 5.572 0.558 1.00 0.00 C ATOM 1318 O LYS A 91 12.029 4.989 1.584 1.00 0.00 O ATOM 1319 CB LYS A 91 11.701 7.942 1.378 1.00 0.00 C ATOM 1320 CG LYS A 91 13.057 8.229 0.752 1.00 0.00 C ATOM 1321 CD LYS A 91 13.818 9.299 1.522 1.00 0.00 C ATOM 1322 CE LYS A 91 14.130 8.858 2.944 1.00 0.00 C ATOM 1323 NZ LYS A 91 14.854 9.912 3.707 1.00 0.00 N ATOM 0 H LYS A 91 9.612 6.886 2.298 1.00 0.00 H new ATOM 0 HA LYS A 91 10.694 7.229 -0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.124 8.866 1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.848 7.620 2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.646 7.312 0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.920 8.551 -0.280 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.747 9.530 1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.230 10.216 1.547 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.202 8.610 3.459 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.733 7.950 2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.048 9.572 4.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.752 10.131 3.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.269 10.770 3.754 1.00 0.00 H new ATOM 1337 N LEU A 92 11.951 5.115 -0.661 1.00 0.00 N ATOM 1338 CA LEU A 92 12.694 3.876 -0.861 1.00 0.00 C ATOM 1339 C LEU A 92 14.197 4.111 -0.768 1.00 0.00 C ATOM 1340 O LEU A 92 14.742 4.992 -1.433 1.00 0.00 O ATOM 1341 CB LEU A 92 12.340 3.256 -2.215 1.00 0.00 C ATOM 1342 CG LEU A 92 10.865 2.889 -2.395 1.00 0.00 C ATOM 1343 CD1 LEU A 92 10.630 2.281 -3.768 1.00 0.00 C ATOM 1344 CD2 LEU A 92 10.416 1.928 -1.306 1.00 0.00 C ATOM 0 H LEU A 92 11.669 5.583 -1.522 1.00 0.00 H new ATOM 0 HA LEU A 92 12.410 3.184 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.623 3.955 -3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.942 2.358 -2.354 1.00 0.00 H new ATOM 0 HG LEU A 92 10.274 3.801 -2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.576 2.026 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.912 3.000 -4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.234 1.380 -3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.365 1.679 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.014 1.018 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.546 2.397 -0.331 1.00 0.00 H new ATOM 1356 N LEU A 93 14.861 3.311 0.061 1.00 0.00 N ATOM 1357 CA LEU A 93 16.303 3.420 0.248 1.00 0.00 C ATOM 1358 C LEU A 93 17.040 2.365 -0.574 1.00 0.00 C ATOM 1359 O LEU A 93 16.560 1.241 -0.728 1.00 0.00 O ATOM 1360 CB LEU A 93 16.660 3.277 1.730 1.00 0.00 C ATOM 1361 CG LEU A 93 16.000 4.298 2.662 1.00 0.00 C ATOM 1362 CD1 LEU A 93 16.447 4.080 4.099 1.00 0.00 C ATOM 1363 CD2 LEU A 93 16.316 5.718 2.213 1.00 0.00 C ATOM 0 H LEU A 93 14.420 2.577 0.616 1.00 0.00 H new ATOM 0 HA LEU A 93 16.616 4.405 -0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 93 16.382 2.276 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 93 17.742 3.358 1.836 1.00 0.00 H new ATOM 0 HG LEU A 93 14.920 4.156 2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.967 4.815 4.745 1.00 0.00 H new ATOM 0 HD12 LEU A 93 16.166 3.077 4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 93 17.529 4.191 4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.838 6.428 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 93 17.395 5.873 2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.942 5.871 1.201 1.00 0.00 H new ATOM 1375 N LYS A 94 18.206 2.733 -1.098 1.00 0.00 N ATOM 1376 CA LYS A 94 19.010 1.817 -1.902 1.00 0.00 C ATOM 1377 C LYS A 94 19.355 0.556 -1.109 1.00 0.00 C ATOM 1378 O LYS A 94 19.666 0.632 0.080 1.00 0.00 O ATOM 1379 CB LYS A 94 20.292 2.508 -2.370 1.00 0.00 C ATOM 1380 CG LYS A 94 20.042 3.734 -3.235 1.00 0.00 C ATOM 1381 CD LYS A 94 21.344 4.396 -3.660 1.00 0.00 C ATOM 1382 CE LYS A 94 22.200 3.463 -4.504 1.00 0.00 C ATOM 1383 NZ LYS A 94 21.504 3.048 -5.753 1.00 0.00 N ATOM 0 H LYS A 94 18.615 3.660 -0.980 1.00 0.00 H new ATOM 0 HA LYS A 94 18.424 1.526 -2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.876 2.802 -1.498 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.895 1.795 -2.931 1.00 0.00 H new ATOM 0 HG2 LYS A 94 19.474 3.446 -4.120 1.00 0.00 H new ATOM 0 HG3 LYS A 94 19.432 4.450 -2.684 1.00 0.00 H new ATOM 0 HD2 LYS A 94 21.124 5.301 -4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 94 21.903 4.702 -2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 94 23.136 3.960 -4.758 1.00 0.00 H new ATOM 0 HE3 LYS A 94 22.457 2.579 -3.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 22.179 2.571 -6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 20.729 2.396 -5.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.118 3.887 -6.230 1.00 0.00 H new ATOM 1397 N PRO A 95 19.298 -0.625 -1.756 1.00 0.00 N ATOM 1398 CA PRO A 95 19.599 -1.903 -1.100 1.00 0.00 C ATOM 1399 C PRO A 95 20.927 -1.890 -0.357 1.00 0.00 C ATOM 1400 O PRO A 95 21.940 -1.422 -0.879 1.00 0.00 O ATOM 1401 CB PRO A 95 19.663 -2.890 -2.264 1.00 0.00 C ATOM 1402 CG PRO A 95 18.771 -2.302 -3.300 1.00 0.00 C ATOM 1403 CD PRO A 95 18.927 -0.811 -3.174 1.00 0.00 C ATOM 0 HA PRO A 95 18.854 -2.148 -0.343 1.00 0.00 H new ATOM 0 HB2 PRO A 95 20.682 -3.001 -2.634 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.323 -3.881 -1.963 1.00 0.00 H new ATOM 0 HG2 PRO A 95 19.052 -2.642 -4.297 1.00 0.00 H new ATOM 0 HG3 PRO A 95 17.735 -2.602 -3.141 1.00 0.00 H new ATOM 0 HD2 PRO A 95 19.697 -0.429 -3.844 1.00 0.00 H new ATOM 0 HD3 PRO A 95 18.003 -0.288 -3.420 1.00 0.00 H new