USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=26 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 89:sc= 0.27 USER MOD Set 1.2: A 62 CYS SG : rot 180:sc= -0.0256 USER MOD Set 2.1: A 14 SER OG : rot 180:sc= -0.0915 USER MOD Set 2.2: A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN :FLIP amide:sc= -0.899 F(o=-3.5!,f=-0.9) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.407 K(o=0.41,f=-3.5!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=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 180:sc= 0 USER MOD Single : A 44 CYS SG : rot -110:sc= -1.42 USER MOD Single : A 46 HIS : no HD1:sc= 0.0483 K(o=0.048,f=-3.2!) USER MOD Single : A 47 ASN :FLIP amide:sc= 0.152 F(o=-0.42,f=0.15) USER MOD Single : A 48 CYS SG : rot -0:sc= -0.0185 USER MOD Single : A 55 MET CE :methyl 168:sc= 0 (180deg=-0.378) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0459 USER MOD Single : A 58 SER OG : rot 180:sc=-0.00566 USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= -1.98 (180deg=-2.34!) 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+ -146:sc= -2.91! (180deg=-5.64!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -160:sc= -0.0834 (180deg=-0.495) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 86 SER OG : rot -150:sc= -3.07! 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 -16.846 5.965 -2.357 1.00 0.00 N ATOM 63 CA GLN A 6 -15.663 6.781 -2.106 1.00 0.00 C ATOM 64 C GLN A 6 -14.393 5.934 -2.160 1.00 0.00 C ATOM 65 O GLN A 6 -14.332 4.860 -1.562 1.00 0.00 O ATOM 66 CB GLN A 6 -15.762 7.482 -0.747 1.00 0.00 C ATOM 67 CG GLN A 6 -16.887 8.506 -0.658 1.00 0.00 C ATOM 68 CD GLN A 6 -18.262 7.886 -0.465 1.00 0.00 C ATOM 69 OE1 GLN A 6 -18.305 6.596 -0.147 1.00 0.00 O flip ATOM 70 NE2 GLN A 6 -19.279 8.571 -0.577 1.00 0.00 N flip ATOM 0 HA GLN A 6 -15.612 7.537 -2.889 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.907 6.730 0.028 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.815 7.979 -0.536 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.684 9.185 0.171 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -16.893 9.106 -1.568 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -19.204 9.558 -0.823 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -20.196 8.151 -0.424 1.00 0.00 H new ATOM 79 N PRO A 7 -13.356 6.410 -2.876 1.00 0.00 N ATOM 80 CA PRO A 7 -12.086 5.688 -2.999 1.00 0.00 C ATOM 81 C PRO A 7 -11.277 5.706 -1.701 1.00 0.00 C ATOM 82 O PRO A 7 -11.246 6.715 -0.996 1.00 0.00 O ATOM 83 CB PRO A 7 -11.350 6.449 -4.102 1.00 0.00 C ATOM 84 CG PRO A 7 -11.901 7.830 -4.038 1.00 0.00 C ATOM 85 CD PRO A 7 -13.339 7.686 -3.619 1.00 0.00 C ATOM 0 HA PRO A 7 -12.238 4.632 -3.221 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.273 6.444 -3.936 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.524 5.998 -5.079 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.346 8.438 -3.324 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.825 8.325 -5.006 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.660 8.519 -2.993 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.007 7.658 -4.480 1.00 0.00 H new ATOM 93 N PRO A 8 -10.607 4.587 -1.370 1.00 0.00 N ATOM 94 CA PRO A 8 -9.792 4.480 -0.153 1.00 0.00 C ATOM 95 C PRO A 8 -8.699 5.541 -0.094 1.00 0.00 C ATOM 96 O PRO A 8 -8.115 5.901 -1.117 1.00 0.00 O ATOM 97 CB PRO A 8 -9.172 3.078 -0.245 1.00 0.00 C ATOM 98 CG PRO A 8 -9.335 2.667 -1.669 1.00 0.00 C ATOM 99 CD PRO A 8 -10.584 3.341 -2.152 1.00 0.00 C ATOM 0 HA PRO A 8 -10.390 4.632 0.745 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.121 3.094 0.042 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.675 2.381 0.425 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.473 2.970 -2.264 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.418 1.584 -1.756 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.549 3.537 -3.224 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.469 2.732 -1.968 1.00 0.00 H new ATOM 107 N LEU A 9 -8.428 6.042 1.109 1.00 0.00 N ATOM 108 CA LEU A 9 -7.406 7.066 1.297 1.00 0.00 C ATOM 109 C LEU A 9 -6.488 6.690 2.460 1.00 0.00 C ATOM 110 O LEU A 9 -6.946 6.486 3.584 1.00 0.00 O ATOM 111 CB LEU A 9 -8.078 8.425 1.552 1.00 0.00 C ATOM 112 CG LEU A 9 -7.188 9.665 1.377 1.00 0.00 C ATOM 113 CD1 LEU A 9 -6.103 9.716 2.438 1.00 0.00 C ATOM 114 CD2 LEU A 9 -6.575 9.691 -0.015 1.00 0.00 C ATOM 0 H LEU A 9 -8.901 5.756 1.966 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.799 7.138 0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.930 8.517 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.472 8.427 2.568 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.816 10.548 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.489 10.604 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.562 9.754 3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.478 8.826 2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.948 10.576 -0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.968 8.797 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.369 9.718 -0.762 1.00 0.00 H new ATOM 126 N VAL A 10 -5.193 6.595 2.174 1.00 0.00 N ATOM 127 CA VAL A 10 -4.203 6.235 3.186 1.00 0.00 C ATOM 128 C VAL A 10 -3.776 7.447 4.012 1.00 0.00 C ATOM 129 O VAL A 10 -3.554 8.530 3.474 1.00 0.00 O ATOM 130 CB VAL A 10 -2.958 5.595 2.542 1.00 0.00 C ATOM 131 CG1 VAL A 10 -1.929 5.224 3.600 1.00 0.00 C ATOM 132 CG2 VAL A 10 -3.351 4.375 1.723 1.00 0.00 C ATOM 0 H VAL A 10 -4.803 6.763 1.247 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.678 5.511 3.847 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.505 6.328 1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.060 4.774 3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.622 6.120 4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.367 4.512 4.299 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.460 3.935 1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.832 3.642 2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.043 4.673 0.936 1.00 0.00 H new ATOM 142 N THR A 11 -3.658 7.248 5.325 1.00 0.00 N ATOM 143 CA THR A 11 -3.255 8.318 6.234 1.00 0.00 C ATOM 144 C THR A 11 -2.481 7.764 7.427 1.00 0.00 C ATOM 145 O THR A 11 -2.739 8.142 8.571 1.00 0.00 O ATOM 146 CB THR A 11 -4.476 9.096 6.769 1.00 0.00 C ATOM 147 OG1 THR A 11 -5.375 8.199 7.430 1.00 0.00 O ATOM 148 CG2 THR A 11 -5.206 9.816 5.647 1.00 0.00 C ATOM 0 H THR A 11 -3.836 6.354 5.782 1.00 0.00 H new ATOM 0 HA THR A 11 -2.619 8.990 5.659 1.00 0.00 H new ATOM 0 HB THR A 11 -4.116 9.842 7.477 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.147 8.700 7.768 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.061 10.355 6.056 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.529 10.522 5.166 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.553 9.089 4.913 1.00 0.00 H new ATOM 156 N GLY A 12 -1.533 6.868 7.165 1.00 0.00 N ATOM 157 CA GLY A 12 -0.754 6.294 8.247 1.00 0.00 C ATOM 158 C GLY A 12 0.284 5.292 7.778 1.00 0.00 C ATOM 159 O GLY A 12 0.067 4.564 6.810 1.00 0.00 O ATOM 0 H GLY A 12 -1.292 6.532 6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.254 7.096 8.790 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.428 5.805 8.950 1.00 0.00 H new ATOM 163 N ILE A 13 1.413 5.255 8.483 1.00 0.00 N ATOM 164 CA ILE A 13 2.499 4.335 8.161 1.00 0.00 C ATOM 165 C ILE A 13 3.464 4.222 9.338 1.00 0.00 C ATOM 166 O ILE A 13 3.934 5.231 9.864 1.00 0.00 O ATOM 167 CB ILE A 13 3.276 4.784 6.902 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.377 3.771 6.563 1.00 0.00 C ATOM 169 CG2 ILE A 13 3.869 6.173 7.101 1.00 0.00 C ATOM 170 CD1 ILE A 13 5.127 4.098 5.289 1.00 0.00 C ATOM 0 H ILE A 13 1.599 5.856 9.286 1.00 0.00 H new ATOM 0 HA ILE A 13 2.050 3.363 7.957 1.00 0.00 H new ATOM 0 HB ILE A 13 2.578 4.829 6.066 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.085 3.725 7.390 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.932 2.780 6.469 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.411 6.469 6.203 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.068 6.887 7.293 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.553 6.158 7.950 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.890 3.340 5.111 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.430 4.115 4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.601 5.075 5.386 1.00 0.00 H new ATOM 182 N SER A 14 3.754 2.993 9.756 1.00 0.00 N ATOM 183 CA SER A 14 4.660 2.776 10.876 1.00 0.00 C ATOM 184 C SER A 14 6.090 3.171 10.500 1.00 0.00 C ATOM 185 O SER A 14 6.668 4.061 11.125 1.00 0.00 O ATOM 186 CB SER A 14 4.596 1.320 11.351 1.00 0.00 C ATOM 187 OG SER A 14 3.291 0.986 11.789 1.00 0.00 O ATOM 0 H SER A 14 3.378 2.141 9.340 1.00 0.00 H new ATOM 0 HA SER A 14 4.343 3.412 11.702 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.892 0.656 10.539 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.306 1.167 12.163 1.00 0.00 H new ATOM 0 HG SER A 14 3.274 0.052 12.086 1.00 0.00 H new ATOM 193 N PRO A 15 6.692 2.534 9.469 1.00 0.00 N ATOM 194 CA PRO A 15 8.040 2.855 9.037 1.00 0.00 C ATOM 195 C PRO A 15 8.052 3.849 7.883 1.00 0.00 C ATOM 196 O PRO A 15 7.728 3.498 6.749 1.00 0.00 O ATOM 197 CB PRO A 15 8.552 1.495 8.578 1.00 0.00 C ATOM 198 CG PRO A 15 7.346 0.804 8.017 1.00 0.00 C ATOM 199 CD PRO A 15 6.125 1.460 8.633 1.00 0.00 C ATOM 0 HA PRO A 15 8.639 3.327 9.816 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.334 1.600 7.826 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.981 0.933 9.408 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.323 0.892 6.931 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.369 -0.261 8.250 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.456 1.857 7.870 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.547 0.752 9.227 1.00 0.00 H new ATOM 207 N ASN A 16 8.431 5.089 8.168 1.00 0.00 N ATOM 208 CA ASN A 16 8.485 6.118 7.139 1.00 0.00 C ATOM 209 C ASN A 16 9.870 6.164 6.499 1.00 0.00 C ATOM 210 O ASN A 16 10.340 7.224 6.079 1.00 0.00 O ATOM 211 CB ASN A 16 8.123 7.483 7.728 1.00 0.00 C ATOM 212 CG ASN A 16 9.078 7.915 8.822 1.00 0.00 C ATOM 213 OD1 ASN A 16 9.251 7.222 9.824 1.00 0.00 O ATOM 214 ND2 ASN A 16 9.698 9.072 8.634 1.00 0.00 N ATOM 0 H ASN A 16 8.704 5.405 9.099 1.00 0.00 H new ATOM 0 HA ASN A 16 7.757 5.870 6.367 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.124 8.230 6.934 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.110 7.445 8.129 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.350 9.421 9.336 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.523 9.613 7.787 1.00 0.00 H new ATOM 221 N GLU A 17 10.509 4.999 6.425 1.00 0.00 N ATOM 222 CA GLU A 17 11.840 4.870 5.838 1.00 0.00 C ATOM 223 C GLU A 17 12.315 3.421 5.912 1.00 0.00 C ATOM 224 O GLU A 17 12.272 2.798 6.975 1.00 0.00 O ATOM 225 CB GLU A 17 12.838 5.785 6.555 1.00 0.00 C ATOM 226 CG GLU A 17 12.919 5.542 8.054 1.00 0.00 C ATOM 227 CD GLU A 17 13.899 6.471 8.746 1.00 0.00 C ATOM 228 OE1 GLU A 17 14.509 7.315 8.055 1.00 0.00 O ATOM 229 OE2 GLU A 17 14.055 6.356 9.980 1.00 0.00 O ATOM 0 H GLU A 17 10.120 4.121 6.769 1.00 0.00 H new ATOM 0 HA GLU A 17 11.782 5.170 4.792 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.827 5.643 6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.558 6.823 6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.930 5.672 8.493 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.215 4.509 8.235 1.00 0.00 H new ATOM 236 N GLY A 18 12.760 2.884 4.780 1.00 0.00 N ATOM 237 CA GLY A 18 13.224 1.509 4.746 1.00 0.00 C ATOM 238 C GLY A 18 13.438 1.001 3.333 1.00 0.00 C ATOM 239 O GLY A 18 12.752 1.429 2.404 1.00 0.00 O ATOM 0 H GLY A 18 12.808 3.375 3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.158 1.431 5.302 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.498 0.872 5.251 1.00 0.00 H new ATOM 243 N ILE A 19 14.390 0.086 3.169 1.00 0.00 N ATOM 244 CA ILE A 19 14.690 -0.484 1.860 1.00 0.00 C ATOM 245 C ILE A 19 13.430 -1.061 1.210 1.00 0.00 C ATOM 246 O ILE A 19 12.441 -1.326 1.891 1.00 0.00 O ATOM 247 CB ILE A 19 15.774 -1.579 1.952 1.00 0.00 C ATOM 248 CG1 ILE A 19 15.322 -2.711 2.878 1.00 0.00 C ATOM 249 CG2 ILE A 19 17.086 -0.977 2.436 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.296 -3.869 2.948 1.00 0.00 C ATOM 0 H ILE A 19 14.967 -0.276 3.928 1.00 0.00 H new ATOM 0 HA ILE A 19 15.071 0.327 1.239 1.00 0.00 H new ATOM 0 HB ILE A 19 15.930 -1.999 0.959 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.175 -2.311 3.881 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.355 -3.082 2.538 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.844 -1.758 2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.413 -0.208 1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 19 16.941 -0.534 3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.907 -4.631 3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.425 -4.297 1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.258 -3.514 3.318 1.00 0.00 H new ATOM 262 N PRO A 20 13.444 -1.243 -0.124 1.00 0.00 N ATOM 263 CA PRO A 20 12.292 -1.771 -0.870 1.00 0.00 C ATOM 264 C PRO A 20 11.699 -3.046 -0.263 1.00 0.00 C ATOM 265 O PRO A 20 10.484 -3.227 -0.260 1.00 0.00 O ATOM 266 CB PRO A 20 12.883 -2.062 -2.252 1.00 0.00 C ATOM 267 CG PRO A 20 13.989 -1.078 -2.393 1.00 0.00 C ATOM 268 CD PRO A 20 14.578 -0.928 -1.019 1.00 0.00 C ATOM 0 HA PRO A 20 11.461 -1.066 -0.871 1.00 0.00 H new ATOM 0 HB2 PRO A 20 13.250 -3.086 -2.320 1.00 0.00 H new ATOM 0 HB3 PRO A 20 12.138 -1.938 -3.038 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.737 -1.429 -3.103 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.618 -0.123 -2.766 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.414 -1.610 -0.864 1.00 0.00 H new ATOM 0 HD3 PRO A 20 14.954 0.081 -0.851 1.00 0.00 H new ATOM 276 N TRP A 21 12.550 -3.932 0.234 1.00 0.00 N ATOM 277 CA TRP A 21 12.075 -5.186 0.819 1.00 0.00 C ATOM 278 C TRP A 21 11.473 -4.984 2.210 1.00 0.00 C ATOM 279 O TRP A 21 10.798 -5.871 2.732 1.00 0.00 O ATOM 280 CB TRP A 21 13.202 -6.217 0.877 1.00 0.00 C ATOM 281 CG TRP A 21 13.679 -6.637 -0.478 1.00 0.00 C ATOM 282 CD1 TRP A 21 14.669 -6.057 -1.217 1.00 0.00 C ATOM 283 CD2 TRP A 21 13.164 -7.713 -1.271 1.00 0.00 C ATOM 284 NE1 TRP A 21 14.815 -6.719 -2.411 1.00 0.00 N ATOM 285 CE2 TRP A 21 13.899 -7.737 -2.470 1.00 0.00 C ATOM 286 CE3 TRP A 21 12.154 -8.661 -1.079 1.00 0.00 C ATOM 287 CZ2 TRP A 21 13.656 -8.672 -3.474 1.00 0.00 C ATOM 288 CZ3 TRP A 21 11.914 -9.588 -2.076 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.662 -9.588 -3.260 1.00 0.00 C ATOM 0 H TRP A 21 13.563 -3.812 0.246 1.00 0.00 H new ATOM 0 HA TRP A 21 11.283 -5.559 0.170 1.00 0.00 H new ATOM 0 HB2 TRP A 21 14.039 -5.801 1.438 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.856 -7.095 1.423 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.252 -5.202 -0.908 1.00 0.00 H new ATOM 0 HE1 TRP A 21 15.495 -6.490 -3.136 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.572 -8.669 -0.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 14.231 -8.674 -4.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 11.136 -10.325 -1.940 1.00 0.00 H new ATOM 0 HH2 TRP A 21 12.450 -10.326 -4.020 1.00 0.00 H new ATOM 300 N THR A 22 11.722 -3.823 2.809 1.00 0.00 N ATOM 301 CA THR A 22 11.201 -3.529 4.141 1.00 0.00 C ATOM 302 C THR A 22 9.675 -3.491 4.150 1.00 0.00 C ATOM 303 O THR A 22 9.057 -2.781 3.357 1.00 0.00 O ATOM 304 CB THR A 22 11.731 -2.183 4.676 1.00 0.00 C ATOM 305 OG1 THR A 22 13.154 -2.237 4.815 1.00 0.00 O ATOM 306 CG2 THR A 22 11.100 -1.840 6.020 1.00 0.00 C ATOM 0 H THR A 22 12.278 -3.074 2.396 1.00 0.00 H new ATOM 0 HA THR A 22 11.547 -4.335 4.788 1.00 0.00 H new ATOM 0 HB THR A 22 11.463 -1.406 3.960 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.482 -1.378 5.153 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.492 -0.886 6.373 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.018 -1.768 5.906 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.338 -2.620 6.743 1.00 0.00 H new ATOM 314 N LYS A 23 9.079 -4.247 5.067 1.00 0.00 N ATOM 315 CA LYS A 23 7.626 -4.288 5.196 1.00 0.00 C ATOM 316 C LYS A 23 7.117 -3.013 5.860 1.00 0.00 C ATOM 317 O LYS A 23 7.677 -2.558 6.857 1.00 0.00 O ATOM 318 CB LYS A 23 7.196 -5.512 6.008 1.00 0.00 C ATOM 319 CG LYS A 23 7.462 -6.832 5.302 1.00 0.00 C ATOM 320 CD LYS A 23 7.108 -8.025 6.178 1.00 0.00 C ATOM 321 CE LYS A 23 7.999 -8.104 7.410 1.00 0.00 C ATOM 322 NZ LYS A 23 7.658 -9.275 8.265 1.00 0.00 N ATOM 0 H LYS A 23 9.579 -4.839 5.731 1.00 0.00 H new ATOM 0 HA LYS A 23 7.193 -4.361 4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.721 -5.507 6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.131 -5.436 6.230 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.882 -6.874 4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.513 -6.888 5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.065 -7.953 6.487 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.206 -8.943 5.599 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.042 -8.171 7.101 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.898 -7.188 7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.286 -9.294 9.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.670 -9.198 8.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.779 -10.151 7.718 1.00 0.00 H new ATOM 336 N VAL A 24 6.058 -2.439 5.301 1.00 0.00 N ATOM 337 CA VAL A 24 5.486 -1.215 5.844 1.00 0.00 C ATOM 338 C VAL A 24 4.009 -1.395 6.183 1.00 0.00 C ATOM 339 O VAL A 24 3.220 -1.849 5.354 1.00 0.00 O ATOM 340 CB VAL A 24 5.643 -0.040 4.858 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.113 0.292 4.653 1.00 0.00 C ATOM 342 CG2 VAL A 24 4.982 -0.361 3.527 1.00 0.00 C ATOM 0 H VAL A 24 5.580 -2.800 4.475 1.00 0.00 H new ATOM 0 HA VAL A 24 6.034 -0.988 6.759 1.00 0.00 H new ATOM 0 HB VAL A 24 5.147 0.831 5.286 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.204 1.124 3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.560 0.570 5.608 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.630 -0.579 4.250 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.105 0.482 2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.447 -1.247 3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.920 -0.548 3.684 1.00 0.00 H new ATOM 352 N THR A 25 3.641 -1.032 7.409 1.00 0.00 N ATOM 353 CA THR A 25 2.258 -1.151 7.855 1.00 0.00 C ATOM 354 C THR A 25 1.388 -0.077 7.211 1.00 0.00 C ATOM 355 O THR A 25 1.592 1.116 7.431 1.00 0.00 O ATOM 356 CB THR A 25 2.151 -1.039 9.388 1.00 0.00 C ATOM 357 OG1 THR A 25 2.940 -2.061 10.009 1.00 0.00 O ATOM 358 CG2 THR A 25 0.704 -1.163 9.844 1.00 0.00 C ATOM 0 H THR A 25 4.280 -0.654 8.109 1.00 0.00 H new ATOM 0 HA THR A 25 1.904 -2.136 7.549 1.00 0.00 H new ATOM 0 HB THR A 25 2.524 -0.059 9.684 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.869 -1.983 10.983 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.656 -1.081 10.930 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.111 -0.367 9.393 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.307 -2.130 9.536 1.00 0.00 H new ATOM 366 N ILE A 26 0.414 -0.509 6.415 1.00 0.00 N ATOM 367 CA ILE A 26 -0.488 0.415 5.742 1.00 0.00 C ATOM 368 C ILE A 26 -1.677 0.767 6.632 1.00 0.00 C ATOM 369 O ILE A 26 -2.269 -0.106 7.266 1.00 0.00 O ATOM 370 CB ILE A 26 -1.005 -0.169 4.412 1.00 0.00 C ATOM 371 CG1 ILE A 26 0.171 -0.522 3.498 1.00 0.00 C ATOM 372 CG2 ILE A 26 -1.938 0.822 3.729 1.00 0.00 C ATOM 373 CD1 ILE A 26 -0.245 -1.185 2.201 1.00 0.00 C ATOM 0 H ILE A 26 0.231 -1.494 6.221 1.00 0.00 H new ATOM 0 HA ILE A 26 0.083 1.319 5.531 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.565 -1.080 4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.728 0.387 3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.850 -1.185 4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.296 0.398 2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.787 1.031 4.380 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.400 1.748 3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.640 -1.406 1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.776 -2.112 2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.900 -0.515 1.644 1.00 0.00 H new ATOM 385 N ARG A 27 -2.024 2.051 6.667 1.00 0.00 N ATOM 386 CA ARG A 27 -3.145 2.523 7.473 1.00 0.00 C ATOM 387 C ARG A 27 -3.842 3.695 6.789 1.00 0.00 C ATOM 388 O ARG A 27 -3.188 4.611 6.293 1.00 0.00 O ATOM 389 CB ARG A 27 -2.667 2.946 8.866 1.00 0.00 C ATOM 390 CG ARG A 27 -2.137 1.798 9.712 1.00 0.00 C ATOM 391 CD ARG A 27 -3.221 0.772 10.006 1.00 0.00 C ATOM 392 NE ARG A 27 -2.730 -0.324 10.838 1.00 0.00 N ATOM 393 CZ ARG A 27 -2.284 -0.169 12.084 1.00 0.00 C ATOM 394 NH1 ARG A 27 -2.272 1.033 12.645 1.00 0.00 N ATOM 395 NH2 ARG A 27 -1.854 -1.218 12.770 1.00 0.00 N ATOM 0 H ARG A 27 -1.544 2.784 6.145 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.855 1.702 7.577 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.884 3.696 8.758 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.494 3.422 9.394 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.309 1.315 9.193 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.741 2.189 10.649 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.056 1.261 10.508 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.604 0.371 9.068 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.729 -1.264 10.441 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.605 1.843 12.122 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.930 1.147 13.599 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.864 -2.145 12.344 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.513 -1.099 13.724 1.00 0.00 H new ATOM 409 N GLY A 28 -5.172 3.656 6.766 1.00 0.00 N ATOM 410 CA GLY A 28 -5.936 4.719 6.137 1.00 0.00 C ATOM 411 C GLY A 28 -7.420 4.614 6.425 1.00 0.00 C ATOM 412 O GLY A 28 -7.824 4.455 7.578 1.00 0.00 O ATOM 0 H GLY A 28 -5.734 2.907 7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.568 5.683 6.488 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.775 4.689 5.059 1.00 0.00 H new ATOM 416 N GLU A 29 -8.239 4.704 5.378 1.00 0.00 N ATOM 417 CA GLU A 29 -9.687 4.621 5.533 1.00 0.00 C ATOM 418 C GLU A 29 -10.338 3.945 4.326 1.00 0.00 C ATOM 419 O GLU A 29 -10.050 4.288 3.178 1.00 0.00 O ATOM 420 CB GLU A 29 -10.285 6.018 5.718 1.00 0.00 C ATOM 421 CG GLU A 29 -9.691 6.793 6.884 1.00 0.00 C ATOM 422 CD GLU A 29 -10.354 8.142 7.089 1.00 0.00 C ATOM 423 OE1 GLU A 29 -11.273 8.479 6.312 1.00 0.00 O ATOM 424 OE2 GLU A 29 -9.954 8.863 8.027 1.00 0.00 O ATOM 0 H GLU A 29 -7.924 4.834 4.417 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.888 4.018 6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.138 6.590 4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.361 5.925 5.866 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.789 6.202 7.795 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.625 6.939 6.712 1.00 0.00 H new ATOM 431 N ASN A 30 -11.226 2.992 4.604 1.00 0.00 N ATOM 432 CA ASN A 30 -11.945 2.265 3.560 1.00 0.00 C ATOM 433 C ASN A 30 -11.000 1.490 2.643 1.00 0.00 C ATOM 434 O ASN A 30 -11.193 1.459 1.427 1.00 0.00 O ATOM 435 CB ASN A 30 -12.797 3.230 2.733 1.00 0.00 C ATOM 436 CG ASN A 30 -13.823 3.963 3.577 1.00 0.00 C ATOM 437 OD1 ASN A 30 -14.686 3.346 4.199 1.00 0.00 O ATOM 438 ND2 ASN A 30 -13.729 5.287 3.603 1.00 0.00 N ATOM 0 H ASN A 30 -11.466 2.704 5.553 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.591 1.541 4.057 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.148 3.956 2.243 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.307 2.676 1.945 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.389 5.834 4.155 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.996 5.757 3.071 1.00 0.00 H new ATOM 445 N LEU A 31 -9.991 0.850 3.227 1.00 0.00 N ATOM 446 CA LEU A 31 -9.037 0.061 2.450 1.00 0.00 C ATOM 447 C LEU A 31 -9.594 -1.327 2.148 1.00 0.00 C ATOM 448 O LEU A 31 -8.953 -2.340 2.431 1.00 0.00 O ATOM 449 CB LEU A 31 -7.694 -0.056 3.179 1.00 0.00 C ATOM 450 CG LEU A 31 -6.795 1.180 3.093 1.00 0.00 C ATOM 451 CD1 LEU A 31 -7.430 2.360 3.808 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.420 0.880 3.670 1.00 0.00 C ATOM 0 H LEU A 31 -9.812 0.861 4.231 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.872 0.581 1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.887 -0.273 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.151 -0.909 2.772 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.677 1.444 2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.773 3.227 3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.390 2.591 3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.583 2.110 4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.794 1.770 3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.520 0.587 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.959 0.068 3.108 1.00 0.00 H new ATOM 464 N GLY A 32 -10.792 -1.367 1.573 1.00 0.00 N ATOM 465 CA GLY A 32 -11.418 -2.634 1.242 1.00 0.00 C ATOM 466 C GLY A 32 -12.072 -3.292 2.440 1.00 0.00 C ATOM 467 O GLY A 32 -11.486 -3.359 3.520 1.00 0.00 O ATOM 0 H GLY A 32 -11.341 -0.543 1.330 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.167 -2.473 0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.669 -3.308 0.826 1.00 0.00 H new ATOM 471 N THR A 33 -13.295 -3.777 2.245 1.00 0.00 N ATOM 472 CA THR A 33 -14.043 -4.431 3.311 1.00 0.00 C ATOM 473 C THR A 33 -13.388 -5.744 3.731 1.00 0.00 C ATOM 474 O THR A 33 -13.378 -6.091 4.912 1.00 0.00 O ATOM 475 CB THR A 33 -15.498 -4.705 2.890 1.00 0.00 C ATOM 476 OG1 THR A 33 -15.525 -5.516 1.709 1.00 0.00 O ATOM 477 CG2 THR A 33 -16.241 -3.402 2.634 1.00 0.00 C ATOM 0 H THR A 33 -13.790 -3.728 1.354 1.00 0.00 H new ATOM 0 HA THR A 33 -14.040 -3.746 4.159 1.00 0.00 H new ATOM 0 HB THR A 33 -15.994 -5.235 3.703 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.455 -5.686 1.450 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.267 -3.620 2.338 1.00 0.00 H new ATOM 0 HG22 THR A 33 -16.246 -2.801 3.543 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.743 -2.850 1.837 1.00 0.00 H new ATOM 485 N GLY A 34 -12.845 -6.475 2.760 1.00 0.00 N ATOM 486 CA GLY A 34 -12.203 -7.741 3.062 1.00 0.00 C ATOM 487 C GLY A 34 -11.153 -8.133 2.038 1.00 0.00 C ATOM 488 O GLY A 34 -10.845 -7.354 1.134 1.00 0.00 O ATOM 0 H GLY A 34 -12.839 -6.214 1.774 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.738 -7.681 4.046 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.961 -8.523 3.115 1.00 0.00 H new ATOM 492 N PRO A 35 -10.576 -9.344 2.157 1.00 0.00 N ATOM 493 CA PRO A 35 -9.546 -9.828 1.228 1.00 0.00 C ATOM 494 C PRO A 35 -10.069 -9.987 -0.193 1.00 0.00 C ATOM 495 O PRO A 35 -9.404 -9.598 -1.154 1.00 0.00 O ATOM 496 CB PRO A 35 -9.143 -11.189 1.806 1.00 0.00 C ATOM 497 CG PRO A 35 -10.292 -11.603 2.658 1.00 0.00 C ATOM 498 CD PRO A 35 -10.877 -10.334 3.207 1.00 0.00 C ATOM 0 HA PRO A 35 -8.717 -9.125 1.147 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.958 -11.915 1.014 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.226 -11.114 2.390 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.031 -12.154 2.076 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.964 -12.262 3.462 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -11.949 -10.426 3.378 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.424 -10.061 4.160 1.00 0.00 H new ATOM 506 N THR A 36 -11.262 -10.560 -0.323 1.00 0.00 N ATOM 507 CA THR A 36 -11.870 -10.766 -1.633 1.00 0.00 C ATOM 508 C THR A 36 -11.986 -9.448 -2.390 1.00 0.00 C ATOM 509 O THR A 36 -11.736 -9.387 -3.594 1.00 0.00 O ATOM 510 CB THR A 36 -13.264 -11.406 -1.513 1.00 0.00 C ATOM 511 OG1 THR A 36 -14.133 -10.555 -0.757 1.00 0.00 O ATOM 512 CG2 THR A 36 -13.176 -12.770 -0.844 1.00 0.00 C ATOM 0 H THR A 36 -11.826 -10.889 0.461 1.00 0.00 H new ATOM 0 HA THR A 36 -11.219 -11.445 -2.185 1.00 0.00 H new ATOM 0 HB THR A 36 -13.667 -11.535 -2.517 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.018 -10.970 -0.688 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.173 -13.204 -0.770 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.538 -13.426 -1.437 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.753 -12.659 0.155 1.00 0.00 H new ATOM 520 N ASP A 37 -12.357 -8.392 -1.672 1.00 0.00 N ATOM 521 CA ASP A 37 -12.499 -7.069 -2.267 1.00 0.00 C ATOM 522 C ASP A 37 -11.144 -6.535 -2.728 1.00 0.00 C ATOM 523 O ASP A 37 -11.050 -5.866 -3.757 1.00 0.00 O ATOM 524 CB ASP A 37 -13.132 -6.102 -1.266 1.00 0.00 C ATOM 525 CG ASP A 37 -13.347 -4.720 -1.853 1.00 0.00 C ATOM 526 OD1 ASP A 37 -14.085 -4.608 -2.853 1.00 0.00 O ATOM 527 OD2 ASP A 37 -12.778 -3.750 -1.311 1.00 0.00 O ATOM 0 H ASP A 37 -12.565 -8.428 -0.674 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.151 -7.154 -3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.088 -6.504 -0.931 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.493 -6.025 -0.386 1.00 0.00 H new ATOM 532 N LEU A 38 -10.104 -6.832 -1.953 1.00 0.00 N ATOM 533 CA LEU A 38 -8.747 -6.389 -2.268 1.00 0.00 C ATOM 534 C LEU A 38 -8.159 -7.204 -3.420 1.00 0.00 C ATOM 535 O LEU A 38 -7.167 -7.914 -3.254 1.00 0.00 O ATOM 536 CB LEU A 38 -7.853 -6.502 -1.026 1.00 0.00 C ATOM 537 CG LEU A 38 -6.412 -6.012 -1.206 1.00 0.00 C ATOM 538 CD1 LEU A 38 -6.389 -4.543 -1.599 1.00 0.00 C ATOM 539 CD2 LEU A 38 -5.612 -6.236 0.068 1.00 0.00 C ATOM 0 H LEU A 38 -10.176 -7.381 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.792 -5.345 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.313 -5.936 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.827 -7.545 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.952 -6.587 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.357 -4.215 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.926 -4.409 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.868 -3.950 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.591 -5.883 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.073 -5.687 0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.598 -7.300 0.306 1.00 0.00 H new ATOM 551 N ILE A 39 -8.781 -7.101 -4.590 1.00 0.00 N ATOM 552 CA ILE A 39 -8.322 -7.826 -5.768 1.00 0.00 C ATOM 553 C ILE A 39 -7.040 -7.218 -6.323 1.00 0.00 C ATOM 554 O ILE A 39 -6.160 -7.932 -6.801 1.00 0.00 O ATOM 555 CB ILE A 39 -9.394 -7.845 -6.875 1.00 0.00 C ATOM 556 CG1 ILE A 39 -9.812 -6.417 -7.238 1.00 0.00 C ATOM 557 CG2 ILE A 39 -10.597 -8.663 -6.428 1.00 0.00 C ATOM 558 CD1 ILE A 39 -10.804 -6.346 -8.380 1.00 0.00 C ATOM 0 H ILE A 39 -9.605 -6.521 -4.747 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.126 -8.850 -5.450 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.972 -8.312 -7.765 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.248 -5.941 -6.360 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.924 -5.844 -7.504 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.347 -8.669 -7.219 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.284 -9.686 -6.218 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.023 -8.221 -5.527 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.054 -5.304 -8.581 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.364 -6.792 -9.272 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.709 -6.890 -8.110 1.00 0.00 H new ATOM 570 N GLY A 40 -6.947 -5.894 -6.267 1.00 0.00 N ATOM 571 CA GLY A 40 -5.773 -5.212 -6.778 1.00 0.00 C ATOM 572 C GLY A 40 -4.962 -4.530 -5.691 1.00 0.00 C ATOM 573 O GLY A 40 -5.519 -3.969 -4.748 1.00 0.00 O ATOM 0 H GLY A 40 -7.663 -5.281 -5.877 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.140 -5.931 -7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.083 -4.469 -7.513 1.00 0.00 H new ATOM 577 N LEU A 41 -3.640 -4.576 -5.834 1.00 0.00 N ATOM 578 CA LEU A 41 -2.736 -3.960 -4.869 1.00 0.00 C ATOM 579 C LEU A 41 -1.463 -3.499 -5.574 1.00 0.00 C ATOM 580 O LEU A 41 -0.895 -4.231 -6.384 1.00 0.00 O ATOM 581 CB LEU A 41 -2.405 -4.956 -3.747 1.00 0.00 C ATOM 582 CG LEU A 41 -1.699 -4.375 -2.511 1.00 0.00 C ATOM 583 CD1 LEU A 41 -0.259 -3.996 -2.826 1.00 0.00 C ATOM 584 CD2 LEU A 41 -2.461 -3.171 -1.977 1.00 0.00 C ATOM 0 H LEU A 41 -3.170 -5.036 -6.613 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.222 -3.091 -4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.333 -5.427 -3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.776 -5.744 -4.162 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.683 -5.147 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.214 -3.588 -1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.287 -4.881 -3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.245 -3.247 -3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.946 -2.773 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.513 -2.402 -2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.470 -3.474 -1.698 1.00 0.00 H new ATOM 596 N THR A 42 -1.023 -2.281 -5.268 1.00 0.00 N ATOM 597 CA THR A 42 0.177 -1.726 -5.885 1.00 0.00 C ATOM 598 C THR A 42 0.889 -0.749 -4.960 1.00 0.00 C ATOM 599 O THR A 42 0.263 -0.084 -4.135 1.00 0.00 O ATOM 600 CB THR A 42 -0.144 -0.995 -7.204 1.00 0.00 C ATOM 601 OG1 THR A 42 -1.258 -0.114 -7.019 1.00 0.00 O ATOM 602 CG2 THR A 42 -0.442 -1.978 -8.324 1.00 0.00 C ATOM 0 H THR A 42 -1.479 -1.661 -4.598 1.00 0.00 H new ATOM 0 HA THR A 42 0.828 -2.577 -6.087 1.00 0.00 H new ATOM 0 HB THR A 42 0.734 -0.415 -7.488 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.454 0.347 -7.861 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.664 -1.430 -9.240 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.425 -2.619 -8.486 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.301 -2.591 -8.051 1.00 0.00 H new ATOM 610 N ILE A 43 2.203 -0.655 -5.127 1.00 0.00 N ATOM 611 CA ILE A 43 3.019 0.253 -4.335 1.00 0.00 C ATOM 612 C ILE A 43 4.008 0.963 -5.244 1.00 0.00 C ATOM 613 O ILE A 43 4.845 0.322 -5.878 1.00 0.00 O ATOM 614 CB ILE A 43 3.785 -0.491 -3.220 1.00 0.00 C ATOM 615 CG1 ILE A 43 2.800 -1.082 -2.206 1.00 0.00 C ATOM 616 CG2 ILE A 43 4.774 0.443 -2.535 1.00 0.00 C ATOM 617 CD1 ILE A 43 3.462 -1.894 -1.113 1.00 0.00 C ATOM 0 H ILE A 43 2.728 -1.202 -5.810 1.00 0.00 H new ATOM 0 HA ILE A 43 2.356 0.975 -3.859 1.00 0.00 H new ATOM 0 HB ILE A 43 4.349 -1.309 -3.669 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.232 -0.271 -1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.086 -1.714 -2.733 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.304 -0.099 -1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.490 0.815 -3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.236 1.282 -2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.701 -2.279 -0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.007 -2.727 -1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.155 -1.261 -0.559 1.00 0.00 H new ATOM 629 N CYS A 44 3.885 2.288 -5.322 1.00 0.00 N ATOM 630 CA CYS A 44 4.744 3.104 -6.178 1.00 0.00 C ATOM 631 C CYS A 44 4.356 2.929 -7.648 1.00 0.00 C ATOM 632 O CYS A 44 4.370 3.890 -8.418 1.00 0.00 O ATOM 633 CB CYS A 44 6.222 2.755 -5.974 1.00 0.00 C ATOM 634 SG CYS A 44 6.810 2.990 -4.280 1.00 0.00 S ATOM 0 H CYS A 44 3.192 2.822 -4.797 1.00 0.00 H new ATOM 0 HA CYS A 44 4.601 4.148 -5.898 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.382 1.716 -6.262 1.00 0.00 H new ATOM 0 HB3 CYS A 44 6.825 3.368 -6.645 1.00 0.00 H new ATOM 0 HG CYS A 44 7.626 4.001 -4.240 1.00 0.00 H new ATOM 640 N GLY A 45 4.005 1.700 -8.030 1.00 0.00 N ATOM 641 CA GLY A 45 3.613 1.428 -9.400 1.00 0.00 C ATOM 642 C GLY A 45 3.524 -0.056 -9.707 1.00 0.00 C ATOM 643 O GLY A 45 2.617 -0.493 -10.418 1.00 0.00 O ATOM 0 H GLY A 45 3.986 0.889 -7.412 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.646 1.892 -9.595 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.331 1.891 -10.077 1.00 0.00 H new ATOM 647 N HIS A 46 4.469 -0.833 -9.184 1.00 0.00 N ATOM 648 CA HIS A 46 4.501 -2.262 -9.414 1.00 0.00 C ATOM 649 C HIS A 46 3.523 -3.004 -8.505 1.00 0.00 C ATOM 650 O HIS A 46 3.373 -2.669 -7.330 1.00 0.00 O ATOM 651 CB HIS A 46 5.919 -2.782 -9.204 1.00 0.00 C ATOM 652 CG HIS A 46 6.494 -2.473 -7.856 1.00 0.00 C ATOM 653 ND1 HIS A 46 6.811 -1.195 -7.443 1.00 0.00 N ATOM 654 CD2 HIS A 46 6.816 -3.289 -6.823 1.00 0.00 C ATOM 655 CE1 HIS A 46 7.304 -1.240 -6.219 1.00 0.00 C ATOM 656 NE2 HIS A 46 7.317 -2.498 -5.820 1.00 0.00 N ATOM 0 H HIS A 46 5.226 -0.487 -8.594 1.00 0.00 H new ATOM 0 HA HIS A 46 4.192 -2.447 -10.443 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.923 -3.862 -9.349 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.567 -2.355 -9.969 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.700 -4.362 -6.795 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.640 -0.391 -5.642 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.646 -2.829 -4.913 1.00 0.00 H new ATOM 665 N ASN A 47 2.866 -4.020 -9.063 1.00 0.00 N ATOM 666 CA ASN A 47 1.905 -4.823 -8.313 1.00 0.00 C ATOM 667 C ASN A 47 2.571 -5.493 -7.114 1.00 0.00 C ATOM 668 O ASN A 47 3.733 -5.894 -7.184 1.00 0.00 O ATOM 669 CB ASN A 47 1.277 -5.884 -9.222 1.00 0.00 C ATOM 670 CG ASN A 47 0.322 -6.797 -8.477 1.00 0.00 C ATOM 671 OD1 ASN A 47 0.610 -8.093 -8.491 1.00 0.00 O flip ATOM 672 ND2 ASN A 47 -0.665 -6.343 -7.898 1.00 0.00 N flip ATOM 0 H ASN A 47 2.983 -4.306 -10.035 1.00 0.00 H new ATOM 0 HA ASN A 47 1.123 -4.159 -7.945 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.744 -5.391 -10.035 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.067 -6.483 -9.676 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.848 -5.340 -7.913 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.299 -6.970 -7.403 1.00 0.00 H new ATOM 679 N CYS A 48 1.828 -5.613 -6.016 1.00 0.00 N ATOM 680 CA CYS A 48 2.350 -6.234 -4.803 1.00 0.00 C ATOM 681 C CYS A 48 1.235 -6.911 -4.009 1.00 0.00 C ATOM 682 O CYS A 48 1.224 -6.872 -2.778 1.00 0.00 O ATOM 683 CB CYS A 48 3.042 -5.187 -3.925 1.00 0.00 C ATOM 684 SG CYS A 48 4.466 -4.391 -4.701 1.00 0.00 S ATOM 0 H CYS A 48 0.864 -5.289 -5.942 1.00 0.00 H new ATOM 0 HA CYS A 48 3.074 -6.992 -5.101 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.316 -4.421 -3.653 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.366 -5.663 -2.999 1.00 0.00 H new ATOM 0 HG CYS A 48 4.641 -4.880 -5.893 1.00 0.00 H new ATOM 690 N LEU A 49 0.299 -7.533 -4.719 1.00 0.00 N ATOM 691 CA LEU A 49 -0.821 -8.219 -4.081 1.00 0.00 C ATOM 692 C LEU A 49 -0.373 -9.530 -3.438 1.00 0.00 C ATOM 693 O LEU A 49 -0.720 -9.822 -2.294 1.00 0.00 O ATOM 694 CB LEU A 49 -1.924 -8.499 -5.105 1.00 0.00 C ATOM 695 CG LEU A 49 -3.153 -9.229 -4.554 1.00 0.00 C ATOM 696 CD1 LEU A 49 -3.913 -8.341 -3.579 1.00 0.00 C ATOM 697 CD2 LEU A 49 -4.057 -9.677 -5.690 1.00 0.00 C ATOM 0 H LEU A 49 0.293 -7.576 -5.738 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.209 -7.566 -3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.247 -7.551 -5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.502 -9.092 -5.917 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.815 -10.114 -4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.782 -8.878 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.261 -8.072 -2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.241 -7.436 -4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.925 -10.194 -5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.386 -8.807 -6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.509 -10.352 -6.347 1.00 0.00 H new ATOM 709 N LEU A 50 0.385 -10.321 -4.195 1.00 0.00 N ATOM 710 CA LEU A 50 0.874 -11.614 -3.722 1.00 0.00 C ATOM 711 C LEU A 50 1.500 -11.508 -2.332 1.00 0.00 C ATOM 712 O LEU A 50 1.248 -12.345 -1.466 1.00 0.00 O ATOM 713 CB LEU A 50 1.891 -12.206 -4.708 1.00 0.00 C ATOM 714 CG LEU A 50 3.203 -11.428 -4.865 1.00 0.00 C ATOM 715 CD1 LEU A 50 4.230 -12.271 -5.604 1.00 0.00 C ATOM 716 CD2 LEU A 50 2.978 -10.116 -5.604 1.00 0.00 C ATOM 0 H LEU A 50 0.675 -10.087 -5.144 1.00 0.00 H new ATOM 0 HA LEU A 50 0.012 -12.278 -3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.129 -13.221 -4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.417 -12.282 -5.687 1.00 0.00 H new ATOM 0 HG LEU A 50 3.579 -11.198 -3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.157 -11.707 -5.709 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.423 -13.185 -5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.848 -12.527 -6.592 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.925 -9.586 -5.701 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.574 -10.321 -6.595 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.273 -9.500 -5.046 1.00 0.00 H new ATOM 728 N THR A 51 2.318 -10.481 -2.124 1.00 0.00 N ATOM 729 CA THR A 51 2.975 -10.280 -0.837 1.00 0.00 C ATOM 730 C THR A 51 2.034 -9.629 0.171 1.00 0.00 C ATOM 731 O THR A 51 2.055 -9.961 1.357 1.00 0.00 O ATOM 732 CB THR A 51 4.242 -9.413 -0.976 1.00 0.00 C ATOM 733 OG1 THR A 51 3.916 -8.164 -1.594 1.00 0.00 O ATOM 734 CG2 THR A 51 5.304 -10.133 -1.794 1.00 0.00 C ATOM 0 H THR A 51 2.541 -9.777 -2.828 1.00 0.00 H new ATOM 0 HA THR A 51 3.260 -11.268 -0.476 1.00 0.00 H new ATOM 0 HB THR A 51 4.641 -9.228 0.021 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.657 -7.516 -0.906 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.188 -9.502 -1.878 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.571 -11.068 -1.301 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.914 -10.346 -2.789 1.00 0.00 H new ATOM 742 N ALA A 52 1.213 -8.698 -0.306 1.00 0.00 N ATOM 743 CA ALA A 52 0.267 -7.998 0.556 1.00 0.00 C ATOM 744 C ALA A 52 -0.713 -8.965 1.211 1.00 0.00 C ATOM 745 O ALA A 52 -1.227 -9.880 0.566 1.00 0.00 O ATOM 746 CB ALA A 52 -0.487 -6.940 -0.236 1.00 0.00 C ATOM 0 H ALA A 52 1.184 -8.411 -1.284 1.00 0.00 H new ATOM 0 HA ALA A 52 0.836 -7.511 1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.189 -6.426 0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.221 -6.219 -0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.033 -7.416 -1.050 1.00 0.00 H new ATOM 752 N GLU A 53 -0.968 -8.751 2.498 1.00 0.00 N ATOM 753 CA GLU A 53 -1.890 -9.593 3.251 1.00 0.00 C ATOM 754 C GLU A 53 -2.951 -8.740 3.941 1.00 0.00 C ATOM 755 O GLU A 53 -2.633 -7.752 4.602 1.00 0.00 O ATOM 756 CB GLU A 53 -1.126 -10.423 4.286 1.00 0.00 C ATOM 757 CG GLU A 53 -2.012 -11.340 5.116 1.00 0.00 C ATOM 758 CD GLU A 53 -2.679 -12.426 4.293 1.00 0.00 C ATOM 759 OE1 GLU A 53 -2.424 -12.493 3.072 1.00 0.00 O ATOM 760 OE2 GLU A 53 -3.455 -13.215 4.872 1.00 0.00 O ATOM 0 H GLU A 53 -0.547 -7.998 3.043 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.386 -10.269 2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.376 -11.025 3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.590 -9.749 4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.413 -11.803 5.900 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.779 -10.744 5.611 1.00 0.00 H new ATOM 767 N TRP A 54 -4.213 -9.124 3.776 1.00 0.00 N ATOM 768 CA TRP A 54 -5.322 -8.391 4.375 1.00 0.00 C ATOM 769 C TRP A 54 -5.290 -8.488 5.898 1.00 0.00 C ATOM 770 O TRP A 54 -4.814 -9.475 6.458 1.00 0.00 O ATOM 771 CB TRP A 54 -6.658 -8.924 3.858 1.00 0.00 C ATOM 772 CG TRP A 54 -7.813 -8.025 4.177 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.226 -6.938 3.461 1.00 0.00 C ATOM 774 CD2 TRP A 54 -8.687 -8.117 5.308 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.314 -6.360 4.066 1.00 0.00 N ATOM 776 CE2 TRP A 54 -9.615 -7.063 5.203 1.00 0.00 C ATOM 777 CE3 TRP A 54 -8.781 -8.990 6.394 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -10.620 -6.859 6.143 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -9.778 -8.786 7.329 1.00 0.00 C ATOM 780 CH2 TRP A 54 -10.688 -7.728 7.198 1.00 0.00 C ATOM 0 H TRP A 54 -4.493 -9.940 3.232 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.216 -7.344 4.090 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.596 -9.056 2.778 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.841 -9.908 4.290 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -7.764 -6.585 2.551 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.817 -5.541 3.725 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.087 -9.810 6.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.322 -6.044 6.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.857 -9.453 8.175 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.458 -7.596 7.944 1.00 0.00 H new ATOM 791 N MET A 55 -5.808 -7.457 6.562 1.00 0.00 N ATOM 792 CA MET A 55 -5.852 -7.422 8.021 1.00 0.00 C ATOM 793 C MET A 55 -7.157 -6.806 8.511 1.00 0.00 C ATOM 794 O MET A 55 -7.817 -7.350 9.397 1.00 0.00 O ATOM 795 CB MET A 55 -4.670 -6.628 8.578 1.00 0.00 C ATOM 796 CG MET A 55 -3.323 -7.296 8.363 1.00 0.00 C ATOM 797 SD MET A 55 -3.208 -8.896 9.187 1.00 0.00 S ATOM 798 CE MET A 55 -1.494 -9.312 8.883 1.00 0.00 C ATOM 0 H MET A 55 -6.204 -6.633 6.111 1.00 0.00 H new ATOM 0 HA MET A 55 -5.791 -8.450 8.379 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.655 -5.643 8.111 1.00 0.00 H new ATOM 0 HB3 MET A 55 -4.821 -6.472 9.646 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.153 -7.428 7.295 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.533 -6.642 8.733 1.00 0.00 H new ATOM 0 HE1 MET A 55 -1.210 -10.162 9.504 1.00 0.00 H new ATOM 0 HE2 MET A 55 -1.363 -9.570 7.832 1.00 0.00 H new ATOM 0 HE3 MET A 55 -0.863 -8.457 9.128 1.00 0.00 H new ATOM 808 N SER A 56 -7.523 -5.669 7.928 1.00 0.00 N ATOM 809 CA SER A 56 -8.748 -4.976 8.305 1.00 0.00 C ATOM 810 C SER A 56 -9.094 -3.907 7.272 1.00 0.00 C ATOM 811 O SER A 56 -8.425 -3.790 6.245 1.00 0.00 O ATOM 812 CB SER A 56 -8.591 -4.341 9.690 1.00 0.00 C ATOM 813 OG SER A 56 -9.791 -3.714 10.110 1.00 0.00 O ATOM 0 H SER A 56 -6.988 -5.208 7.192 1.00 0.00 H new ATOM 0 HA SER A 56 -9.561 -5.701 8.341 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.306 -5.106 10.412 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.784 -3.608 9.667 1.00 0.00 H new ATOM 0 HG SER A 56 -9.661 -3.319 10.998 1.00 0.00 H new ATOM 819 N ALA A 57 -10.137 -3.130 7.547 1.00 0.00 N ATOM 820 CA ALA A 57 -10.562 -2.072 6.639 1.00 0.00 C ATOM 821 C ALA A 57 -9.658 -0.847 6.758 1.00 0.00 C ATOM 822 O ALA A 57 -10.126 0.290 6.690 1.00 0.00 O ATOM 823 CB ALA A 57 -12.010 -1.693 6.913 1.00 0.00 C ATOM 0 H ALA A 57 -10.703 -3.214 8.391 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.483 -2.449 5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.315 -0.902 6.228 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.648 -2.565 6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.106 -1.341 7.940 1.00 0.00 H new ATOM 829 N SER A 58 -8.360 -1.089 6.933 1.00 0.00 N ATOM 830 CA SER A 58 -7.387 -0.011 7.063 1.00 0.00 C ATOM 831 C SER A 58 -5.967 -0.566 7.151 1.00 0.00 C ATOM 832 O SER A 58 -5.048 -0.044 6.523 1.00 0.00 O ATOM 833 CB SER A 58 -7.688 0.835 8.302 1.00 0.00 C ATOM 834 OG SER A 58 -7.633 0.050 9.481 1.00 0.00 O ATOM 0 H SER A 58 -7.959 -2.025 6.988 1.00 0.00 H new ATOM 0 HA SER A 58 -7.462 0.617 6.175 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.970 1.652 8.372 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.676 1.286 8.207 1.00 0.00 H new ATOM 0 HG SER A 58 -7.827 0.614 10.259 1.00 0.00 H new ATOM 840 N LYS A 59 -5.797 -1.624 7.940 1.00 0.00 N ATOM 841 CA LYS A 59 -4.487 -2.245 8.110 1.00 0.00 C ATOM 842 C LYS A 59 -4.185 -3.217 6.974 1.00 0.00 C ATOM 843 O LYS A 59 -5.012 -4.063 6.633 1.00 0.00 O ATOM 844 CB LYS A 59 -4.413 -2.983 9.449 1.00 0.00 C ATOM 845 CG LYS A 59 -3.042 -3.578 9.735 1.00 0.00 C ATOM 846 CD LYS A 59 -3.045 -4.409 11.008 1.00 0.00 C ATOM 847 CE LYS A 59 -1.644 -4.876 11.369 1.00 0.00 C ATOM 848 NZ LYS A 59 -1.036 -5.699 10.288 1.00 0.00 N ATOM 0 H LYS A 59 -6.547 -2.068 8.470 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.741 -1.450 8.095 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.676 -2.293 10.251 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.156 -3.780 9.458 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.733 -4.200 8.895 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.309 -2.776 9.825 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.456 -3.820 11.828 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.696 -5.273 10.878 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.012 -4.010 11.564 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.682 -5.458 12.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.025 -5.841 10.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.513 -6.622 10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.145 -5.210 9.377 1.00 0.00 H new ATOM 862 N ILE A 60 -2.988 -3.097 6.404 1.00 0.00 N ATOM 863 CA ILE A 60 -2.560 -3.967 5.312 1.00 0.00 C ATOM 864 C ILE A 60 -1.041 -4.120 5.311 1.00 0.00 C ATOM 865 O ILE A 60 -0.318 -3.203 4.925 1.00 0.00 O ATOM 866 CB ILE A 60 -3.003 -3.421 3.935 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.531 -3.375 3.833 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.417 -4.271 2.814 1.00 0.00 C ATOM 869 CD1 ILE A 60 -5.039 -2.793 2.530 1.00 0.00 C ATOM 0 H ILE A 60 -2.295 -2.402 6.682 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.034 -4.935 5.476 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.626 -2.403 3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.924 -4.385 3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.924 -2.785 4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.738 -3.874 1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.329 -4.249 2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.765 -5.299 2.917 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.129 -2.793 2.532 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.677 -1.771 2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.677 -3.396 1.697 1.00 0.00 H new ATOM 881 N VAL A 61 -0.564 -5.285 5.739 1.00 0.00 N ATOM 882 CA VAL A 61 0.870 -5.549 5.776 1.00 0.00 C ATOM 883 C VAL A 61 1.386 -5.931 4.395 1.00 0.00 C ATOM 884 O VAL A 61 0.819 -6.793 3.724 1.00 0.00 O ATOM 885 CB VAL A 61 1.222 -6.668 6.777 1.00 0.00 C ATOM 886 CG1 VAL A 61 0.529 -7.970 6.404 1.00 0.00 C ATOM 887 CG2 VAL A 61 2.731 -6.862 6.851 1.00 0.00 C ATOM 0 H VAL A 61 -1.146 -6.057 6.063 1.00 0.00 H new ATOM 0 HA VAL A 61 1.352 -4.628 6.104 1.00 0.00 H new ATOM 0 HB VAL A 61 0.865 -6.368 7.762 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.794 -8.743 7.126 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.551 -7.822 6.410 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.847 -8.279 5.408 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.961 -7.655 7.562 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.111 -7.135 5.867 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.202 -5.934 7.177 1.00 0.00 H new ATOM 897 N CYS A 62 2.465 -5.285 3.973 1.00 0.00 N ATOM 898 CA CYS A 62 3.058 -5.561 2.673 1.00 0.00 C ATOM 899 C CYS A 62 4.396 -4.865 2.516 1.00 0.00 C ATOM 900 O CYS A 62 4.576 -3.726 2.949 1.00 0.00 O ATOM 901 CB CYS A 62 2.121 -5.133 1.546 1.00 0.00 C ATOM 902 SG CYS A 62 2.851 -5.253 -0.103 1.00 0.00 S ATOM 0 H CYS A 62 2.947 -4.566 4.513 1.00 0.00 H new ATOM 0 HA CYS A 62 3.219 -6.637 2.613 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.223 -5.750 1.580 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.808 -4.104 1.719 1.00 0.00 H new ATOM 0 HG CYS A 62 1.982 -4.871 -0.991 1.00 0.00 H new ATOM 908 N ARG A 63 5.327 -5.559 1.885 1.00 0.00 N ATOM 909 CA ARG A 63 6.655 -5.017 1.649 1.00 0.00 C ATOM 910 C ARG A 63 6.669 -4.183 0.375 1.00 0.00 C ATOM 911 O ARG A 63 6.172 -4.616 -0.666 1.00 0.00 O ATOM 912 CB ARG A 63 7.685 -6.147 1.560 1.00 0.00 C ATOM 913 CG ARG A 63 7.404 -7.147 0.449 1.00 0.00 C ATOM 914 CD ARG A 63 8.401 -8.293 0.468 1.00 0.00 C ATOM 915 NE ARG A 63 8.180 -9.228 -0.630 1.00 0.00 N ATOM 916 CZ ARG A 63 8.885 -10.343 -0.805 1.00 0.00 C ATOM 917 NH1 ARG A 63 9.841 -10.670 0.055 1.00 0.00 N ATOM 918 NH2 ARG A 63 8.632 -11.132 -1.838 1.00 0.00 N ATOM 0 H ARG A 63 5.187 -6.503 1.525 1.00 0.00 H new ATOM 0 HA ARG A 63 6.920 -4.373 2.487 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.673 -5.714 1.405 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.714 -6.675 2.513 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.393 -7.540 0.559 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.446 -6.642 -0.516 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.413 -7.894 0.406 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.325 -8.824 1.417 1.00 0.00 H new ATOM 0 HE ARG A 63 7.443 -9.015 -1.302 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.037 -10.066 0.853 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.380 -11.525 -0.082 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.896 -10.885 -2.500 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.173 -11.986 -1.972 1.00 0.00 H new ATOM 932 N VAL A 64 7.235 -2.985 0.461 1.00 0.00 N ATOM 933 CA VAL A 64 7.308 -2.093 -0.690 1.00 0.00 C ATOM 934 C VAL A 64 8.229 -2.673 -1.768 1.00 0.00 C ATOM 935 O VAL A 64 8.342 -3.892 -1.904 1.00 0.00 O ATOM 936 CB VAL A 64 7.789 -0.686 -0.265 1.00 0.00 C ATOM 937 CG1 VAL A 64 6.786 -0.043 0.674 1.00 0.00 C ATOM 938 CG2 VAL A 64 9.158 -0.757 0.394 1.00 0.00 C ATOM 0 H VAL A 64 7.649 -2.609 1.314 1.00 0.00 H new ATOM 0 HA VAL A 64 6.306 -1.999 -1.109 1.00 0.00 H new ATOM 0 HB VAL A 64 7.872 -0.072 -1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.141 0.946 0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.824 0.049 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.672 -0.662 1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.475 0.245 0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.103 -1.391 1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.879 -1.176 -0.308 1.00 0.00 H new ATOM 1052 N GLY A 72 6.542 7.632 -4.605 1.00 0.00 N ATOM 1053 CA GLY A 72 6.134 6.397 -3.957 1.00 0.00 C ATOM 1054 C GLY A 72 4.703 6.443 -3.457 1.00 0.00 C ATOM 1055 O GLY A 72 4.425 6.064 -2.320 1.00 0.00 O ATOM 0 HA2 GLY A 72 6.243 5.570 -4.659 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.801 6.194 -3.119 1.00 0.00 H new ATOM 1059 N ASP A 73 3.796 6.915 -4.306 1.00 0.00 N ATOM 1060 CA ASP A 73 2.386 7.017 -3.943 1.00 0.00 C ATOM 1061 C ASP A 73 1.782 5.640 -3.681 1.00 0.00 C ATOM 1062 O ASP A 73 1.893 4.733 -4.506 1.00 0.00 O ATOM 1063 CB ASP A 73 1.606 7.720 -5.057 1.00 0.00 C ATOM 1064 CG ASP A 73 0.151 7.959 -4.696 1.00 0.00 C ATOM 1065 OD1 ASP A 73 -0.245 7.625 -3.560 1.00 0.00 O ATOM 1066 OD2 ASP A 73 -0.592 8.485 -5.552 1.00 0.00 O ATOM 0 H ASP A 73 4.012 7.233 -5.251 1.00 0.00 H new ATOM 0 HA ASP A 73 2.317 7.602 -3.026 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.082 8.675 -5.280 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.656 7.119 -5.965 1.00 0.00 H new ATOM 1071 N ILE A 74 1.128 5.496 -2.530 1.00 0.00 N ATOM 1072 CA ILE A 74 0.490 4.237 -2.162 1.00 0.00 C ATOM 1073 C ILE A 74 -0.915 4.163 -2.751 1.00 0.00 C ATOM 1074 O ILE A 74 -1.698 5.105 -2.625 1.00 0.00 O ATOM 1075 CB ILE A 74 0.412 4.076 -0.628 1.00 0.00 C ATOM 1076 CG1 ILE A 74 1.819 4.135 -0.021 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.280 2.767 -0.263 1.00 0.00 C ATOM 1078 CD1 ILE A 74 1.837 4.048 1.491 1.00 0.00 C ATOM 0 H ILE A 74 1.027 6.237 -1.837 1.00 0.00 H new ATOM 0 HA ILE A 74 1.098 3.428 -2.566 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.177 4.896 -0.218 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.415 3.319 -0.430 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.298 5.065 -0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.326 2.670 0.822 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.291 2.764 -0.671 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.282 1.930 -0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.866 4.096 1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.269 4.879 1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.388 3.106 1.807 1.00 0.00 H new ATOM 1090 N ILE A 75 -1.227 3.048 -3.404 1.00 0.00 N ATOM 1091 CA ILE A 75 -2.537 2.870 -4.022 1.00 0.00 C ATOM 1092 C ILE A 75 -3.120 1.495 -3.708 1.00 0.00 C ATOM 1093 O ILE A 75 -2.390 0.509 -3.603 1.00 0.00 O ATOM 1094 CB ILE A 75 -2.465 3.037 -5.555 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -1.775 4.354 -5.927 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -3.862 2.977 -6.159 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -2.518 5.590 -5.467 1.00 0.00 C ATOM 0 H ILE A 75 -0.594 2.257 -3.519 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.184 3.641 -3.604 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.873 2.217 -5.962 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.774 4.363 -5.495 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.655 4.396 -7.010 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.796 3.096 -7.240 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.318 2.014 -5.927 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.473 3.778 -5.742 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.966 6.480 -5.769 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.510 5.608 -5.919 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.615 5.573 -4.381 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.441 1.440 -3.567 1.00 0.00 N ATOM 1110 CA VAL A 76 -5.132 0.191 -3.275 1.00 0.00 C ATOM 1111 C VAL A 76 -6.430 0.089 -4.073 1.00 0.00 C ATOM 1112 O VAL A 76 -7.250 1.007 -4.065 1.00 0.00 O ATOM 1113 CB VAL A 76 -5.438 0.058 -1.770 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -6.200 1.273 -1.274 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -6.215 -1.218 -1.487 1.00 0.00 C ATOM 0 H VAL A 76 -5.055 2.250 -3.651 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.468 -0.623 -3.568 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.492 0.003 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.408 1.163 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.601 2.169 -1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.139 1.361 -1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.419 -1.290 -0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.156 -1.200 -2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.627 -2.080 -1.803 1.00 0.00 H new ATOM 1125 N THR A 77 -6.601 -1.031 -4.771 1.00 0.00 N ATOM 1126 CA THR A 77 -7.790 -1.252 -5.586 1.00 0.00 C ATOM 1127 C THR A 77 -8.863 -2.009 -4.811 1.00 0.00 C ATOM 1128 O THR A 77 -8.558 -2.893 -4.010 1.00 0.00 O ATOM 1129 CB THR A 77 -7.452 -2.029 -6.873 1.00 0.00 C ATOM 1130 OG1 THR A 77 -6.428 -1.343 -7.604 1.00 0.00 O ATOM 1131 CG2 THR A 77 -8.684 -2.182 -7.753 1.00 0.00 C ATOM 0 H THR A 77 -5.930 -1.799 -4.788 1.00 0.00 H new ATOM 0 HA THR A 77 -8.174 -0.268 -5.855 1.00 0.00 H new ATOM 0 HB THR A 77 -7.099 -3.020 -6.589 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.217 -1.844 -8.420 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.420 -2.734 -8.655 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.455 -2.726 -7.208 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.060 -1.196 -8.027 1.00 0.00 H new ATOM 1139 N THR A 78 -10.121 -1.657 -5.058 1.00 0.00 N ATOM 1140 CA THR A 78 -11.245 -2.301 -4.390 1.00 0.00 C ATOM 1141 C THR A 78 -12.370 -2.590 -5.378 1.00 0.00 C ATOM 1142 O THR A 78 -12.692 -1.758 -6.227 1.00 0.00 O ATOM 1143 CB THR A 78 -11.793 -1.431 -3.243 1.00 0.00 C ATOM 1144 OG1 THR A 78 -12.198 -0.153 -3.749 1.00 0.00 O ATOM 1145 CG2 THR A 78 -10.745 -1.242 -2.157 1.00 0.00 C ATOM 0 H THR A 78 -10.387 -0.927 -5.718 1.00 0.00 H new ATOM 0 HA THR A 78 -10.875 -3.239 -3.975 1.00 0.00 H new ATOM 0 HB THR A 78 -12.654 -1.941 -2.810 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.547 0.394 -3.015 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.156 -0.624 -1.358 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.459 -2.214 -1.754 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.868 -0.752 -2.579 1.00 0.00 H new ATOM 1153 N LYS A 79 -12.958 -3.777 -5.265 1.00 0.00 N ATOM 1154 CA LYS A 79 -14.043 -4.187 -6.151 1.00 0.00 C ATOM 1155 C LYS A 79 -15.189 -3.179 -6.123 1.00 0.00 C ATOM 1156 O LYS A 79 -15.677 -2.755 -7.170 1.00 0.00 O ATOM 1157 CB LYS A 79 -14.550 -5.575 -5.755 1.00 0.00 C ATOM 1158 CG LYS A 79 -13.474 -6.649 -5.814 1.00 0.00 C ATOM 1159 CD LYS A 79 -13.983 -8.004 -5.342 1.00 0.00 C ATOM 1160 CE LYS A 79 -14.986 -8.614 -6.313 1.00 0.00 C ATOM 1161 NZ LYS A 79 -16.257 -7.839 -6.377 1.00 0.00 N ATOM 0 H LYS A 79 -12.700 -4.474 -4.566 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.653 -4.226 -7.168 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.955 -5.531 -4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.371 -5.856 -6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.108 -6.737 -6.837 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.628 -6.346 -5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.140 -8.684 -5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.449 -7.894 -4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.542 -8.662 -7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.203 -9.639 -6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -17.053 -8.490 -6.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -16.397 -7.328 -5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -16.209 -7.158 -7.161 1.00 0.00 H new ATOM 1175 N SER A 80 -15.610 -2.793 -4.923 1.00 0.00 N ATOM 1176 CA SER A 80 -16.695 -1.828 -4.775 1.00 0.00 C ATOM 1177 C SER A 80 -16.271 -0.466 -5.312 1.00 0.00 C ATOM 1178 O SER A 80 -16.927 0.102 -6.186 1.00 0.00 O ATOM 1179 CB SER A 80 -17.106 -1.706 -3.306 1.00 0.00 C ATOM 1180 OG SER A 80 -17.533 -2.955 -2.791 1.00 0.00 O ATOM 0 H SER A 80 -15.220 -3.131 -4.043 1.00 0.00 H new ATOM 0 HA SER A 80 -17.550 -2.183 -5.350 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.265 -1.335 -2.719 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.909 -0.975 -3.209 1.00 0.00 H new ATOM 0 HG SER A 80 -17.789 -2.851 -1.851 1.00 0.00 H new ATOM 1186 N GLY A 81 -15.162 0.046 -4.788 1.00 0.00 N ATOM 1187 CA GLY A 81 -14.654 1.332 -5.228 1.00 0.00 C ATOM 1188 C GLY A 81 -13.847 1.221 -6.507 1.00 0.00 C ATOM 1189 O GLY A 81 -14.337 0.717 -7.519 1.00 0.00 O ATOM 0 H GLY A 81 -14.605 -0.408 -4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.488 2.016 -5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.032 1.763 -4.444 1.00 0.00 H new ATOM 1193 N GLY A 82 -12.605 1.687 -6.454 1.00 0.00 N ATOM 1194 CA GLY A 82 -11.734 1.629 -7.614 1.00 0.00 C ATOM 1195 C GLY A 82 -10.293 1.935 -7.258 1.00 0.00 C ATOM 1196 O GLY A 82 -9.820 1.550 -6.188 1.00 0.00 O ATOM 0 H GLY A 82 -12.184 2.106 -5.625 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.794 0.638 -8.063 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.081 2.340 -8.364 1.00 0.00 H new ATOM 1200 N LYS A 83 -9.592 2.631 -8.148 1.00 0.00 N ATOM 1201 CA LYS A 83 -8.200 2.985 -7.901 1.00 0.00 C ATOM 1202 C LYS A 83 -8.118 4.016 -6.779 1.00 0.00 C ATOM 1203 O LYS A 83 -8.524 5.166 -6.955 1.00 0.00 O ATOM 1204 CB LYS A 83 -7.561 3.541 -9.176 1.00 0.00 C ATOM 1205 CG LYS A 83 -6.040 3.510 -9.169 1.00 0.00 C ATOM 1206 CD LYS A 83 -5.516 2.083 -9.206 1.00 0.00 C ATOM 1207 CE LYS A 83 -4.008 2.045 -9.391 1.00 0.00 C ATOM 1208 NZ LYS A 83 -3.590 2.686 -10.667 1.00 0.00 N ATOM 0 H LYS A 83 -9.962 2.959 -9.040 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.656 2.090 -7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.922 2.969 -10.031 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.893 4.570 -9.318 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.659 4.062 -10.028 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.668 4.013 -8.277 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.782 1.573 -8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.997 1.539 -10.019 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.527 2.552 -8.555 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.666 1.010 -9.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.638 2.356 -10.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.261 2.431 -11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.578 3.719 -10.549 1.00 0.00 H new ATOM 1222 N GLY A 84 -7.610 3.599 -5.623 1.00 0.00 N ATOM 1223 CA GLY A 84 -7.509 4.503 -4.490 1.00 0.00 C ATOM 1224 C GLY A 84 -6.401 5.526 -4.640 1.00 0.00 C ATOM 1225 O GLY A 84 -5.916 5.773 -5.745 1.00 0.00 O ATOM 0 H GLY A 84 -7.267 2.654 -5.450 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.459 5.022 -4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.338 3.922 -3.584 1.00 0.00 H new ATOM 1229 N THR A 85 -6.001 6.115 -3.515 1.00 0.00 N ATOM 1230 CA THR A 85 -4.941 7.120 -3.491 1.00 0.00 C ATOM 1231 C THR A 85 -4.268 7.152 -2.123 1.00 0.00 C ATOM 1232 O THR A 85 -4.497 6.272 -1.291 1.00 0.00 O ATOM 1233 CB THR A 85 -5.481 8.532 -3.807 1.00 0.00 C ATOM 1234 OG1 THR A 85 -6.550 8.859 -2.913 1.00 0.00 O ATOM 1235 CG2 THR A 85 -5.969 8.631 -5.245 1.00 0.00 C ATOM 0 H THR A 85 -6.400 5.910 -2.599 1.00 0.00 H new ATOM 0 HA THR A 85 -4.221 6.839 -4.259 1.00 0.00 H new ATOM 0 HB THR A 85 -4.663 9.240 -3.675 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.886 9.756 -3.119 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.342 9.637 -5.434 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.144 8.416 -5.925 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.770 7.910 -5.408 1.00 0.00 H new ATOM 1243 N SER A 86 -3.442 8.169 -1.890 1.00 0.00 N ATOM 1244 CA SER A 86 -2.744 8.307 -0.615 1.00 0.00 C ATOM 1245 C SER A 86 -2.035 9.654 -0.516 1.00 0.00 C ATOM 1246 O SER A 86 -1.322 10.059 -1.434 1.00 0.00 O ATOM 1247 CB SER A 86 -1.728 7.178 -0.443 1.00 0.00 C ATOM 1248 OG SER A 86 -1.051 7.286 0.796 1.00 0.00 O ATOM 0 H SER A 86 -3.240 8.907 -2.565 1.00 0.00 H new ATOM 0 HA SER A 86 -3.488 8.250 0.180 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.236 6.215 -0.501 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.006 7.207 -1.259 1.00 0.00 H new ATOM 0 HG SER A 86 -0.149 6.914 0.709 1.00 0.00 H new ATOM 1254 N THR A 87 -2.225 10.340 0.608 1.00 0.00 N ATOM 1255 CA THR A 87 -1.588 11.632 0.828 1.00 0.00 C ATOM 1256 C THR A 87 -0.235 11.459 1.509 1.00 0.00 C ATOM 1257 O THR A 87 0.197 12.315 2.281 1.00 0.00 O ATOM 1258 CB THR A 87 -2.469 12.556 1.688 1.00 0.00 C ATOM 1259 OG1 THR A 87 -2.678 11.973 2.979 1.00 0.00 O ATOM 1260 CG2 THR A 87 -3.811 12.802 1.014 1.00 0.00 C ATOM 0 H THR A 87 -2.814 10.022 1.378 1.00 0.00 H new ATOM 0 HA THR A 87 -1.448 12.090 -0.151 1.00 0.00 H new ATOM 0 HB THR A 87 -1.955 13.511 1.801 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.238 12.568 3.520 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.417 13.457 1.639 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.650 13.272 0.044 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.328 11.852 0.875 1.00 0.00 H new ATOM 1268 N VAL A 88 0.428 10.342 1.216 1.00 0.00 N ATOM 1269 CA VAL A 88 1.735 10.040 1.796 1.00 0.00 C ATOM 1270 C VAL A 88 2.554 9.156 0.862 1.00 0.00 C ATOM 1271 O VAL A 88 2.017 8.264 0.205 1.00 0.00 O ATOM 1272 CB VAL A 88 1.609 9.326 3.161 1.00 0.00 C ATOM 1273 CG1 VAL A 88 0.946 10.225 4.192 1.00 0.00 C ATOM 1274 CG2 VAL A 88 0.841 8.022 3.012 1.00 0.00 C ATOM 0 H VAL A 88 0.079 9.628 0.577 1.00 0.00 H new ATOM 0 HA VAL A 88 2.237 10.996 1.941 1.00 0.00 H new ATOM 0 HB VAL A 88 2.614 9.097 3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.871 9.696 5.142 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.543 11.127 4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.052 10.498 3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.762 7.533 3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.158 8.230 2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.367 7.367 2.318 1.00 0.00 H new ATOM 1284 N SER A 89 3.858 9.408 0.809 1.00 0.00 N ATOM 1285 CA SER A 89 4.751 8.631 -0.043 1.00 0.00 C ATOM 1286 C SER A 89 5.896 8.043 0.771 1.00 0.00 C ATOM 1287 O SER A 89 6.517 8.733 1.580 1.00 0.00 O ATOM 1288 CB SER A 89 5.308 9.504 -1.168 1.00 0.00 C ATOM 1289 OG SER A 89 6.009 10.620 -0.650 1.00 0.00 O ATOM 0 H SER A 89 4.319 10.143 1.345 1.00 0.00 H new ATOM 0 HA SER A 89 4.177 7.813 -0.479 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.974 8.912 -1.796 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.492 9.847 -1.804 1.00 0.00 H new ATOM 0 HG SER A 89 6.356 11.161 -1.390 1.00 0.00 H new ATOM 1295 N PHE A 90 6.170 6.762 0.553 1.00 0.00 N ATOM 1296 CA PHE A 90 7.240 6.077 1.266 1.00 0.00 C ATOM 1297 C PHE A 90 8.578 6.280 0.563 1.00 0.00 C ATOM 1298 O PHE A 90 8.702 6.032 -0.636 1.00 0.00 O ATOM 1299 CB PHE A 90 6.935 4.582 1.365 1.00 0.00 C ATOM 1300 CG PHE A 90 7.995 3.806 2.095 1.00 0.00 C ATOM 1301 CD1 PHE A 90 8.208 4.005 3.450 1.00 0.00 C ATOM 1302 CD2 PHE A 90 8.781 2.885 1.423 1.00 0.00 C ATOM 1303 CE1 PHE A 90 9.187 3.297 4.120 1.00 0.00 C ATOM 1304 CE2 PHE A 90 9.761 2.175 2.088 1.00 0.00 C ATOM 1305 CZ PHE A 90 9.964 2.380 3.439 1.00 0.00 C ATOM 0 H PHE A 90 5.665 6.177 -0.113 1.00 0.00 H new ATOM 0 HA PHE A 90 7.304 6.501 2.268 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.980 4.446 1.873 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.823 4.174 0.361 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.603 4.720 3.987 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.626 2.720 0.367 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.345 3.460 5.176 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.368 1.460 1.552 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.729 1.825 3.962 1.00 0.00 H new ATOM 1315 N LYS A 91 9.580 6.722 1.316 1.00 0.00 N ATOM 1316 CA LYS A 91 10.908 6.942 0.758 1.00 0.00 C ATOM 1317 C LYS A 91 11.688 5.633 0.699 1.00 0.00 C ATOM 1318 O LYS A 91 11.873 4.963 1.716 1.00 0.00 O ATOM 1319 CB LYS A 91 11.671 7.974 1.588 1.00 0.00 C ATOM 1320 CG LYS A 91 13.057 8.284 1.049 1.00 0.00 C ATOM 1321 CD LYS A 91 13.729 9.388 1.848 1.00 0.00 C ATOM 1322 CE LYS A 91 15.119 9.694 1.318 1.00 0.00 C ATOM 1323 NZ LYS A 91 15.766 10.805 2.070 1.00 0.00 N ATOM 0 H LYS A 91 9.498 6.934 2.310 1.00 0.00 H new ATOM 0 HA LYS A 91 10.794 7.324 -0.256 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.091 8.896 1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.761 7.610 2.611 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.671 7.384 1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.984 8.583 0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.118 10.290 1.810 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.795 9.092 2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.739 8.800 1.386 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.055 9.958 0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.713 10.984 1.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.188 11.665 1.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 15.850 10.543 3.073 1.00 0.00 H new ATOM 1337 N LEU A 92 12.141 5.272 -0.496 1.00 0.00 N ATOM 1338 CA LEU A 92 12.898 4.040 -0.687 1.00 0.00 C ATOM 1339 C LEU A 92 14.365 4.233 -0.319 1.00 0.00 C ATOM 1340 O LEU A 92 15.017 5.164 -0.795 1.00 0.00 O ATOM 1341 CB LEU A 92 12.783 3.567 -2.139 1.00 0.00 C ATOM 1342 CG LEU A 92 11.358 3.317 -2.640 1.00 0.00 C ATOM 1343 CD1 LEU A 92 11.378 2.864 -4.093 1.00 0.00 C ATOM 1344 CD2 LEU A 92 10.656 2.285 -1.766 1.00 0.00 C ATOM 0 H LEU A 92 11.997 5.815 -1.348 1.00 0.00 H new ATOM 0 HA LEU A 92 12.476 3.281 -0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 92 13.251 4.311 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.355 2.646 -2.249 1.00 0.00 H new ATOM 0 HG LEU A 92 10.801 4.252 -2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.357 2.690 -4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.840 3.636 -4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.951 1.941 -4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.645 2.121 -2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.210 1.347 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.611 2.648 -0.739 1.00 0.00 H new ATOM 1356 N LEU A 93 14.884 3.344 0.524 1.00 0.00 N ATOM 1357 CA LEU A 93 16.278 3.410 0.945 1.00 0.00 C ATOM 1358 C LEU A 93 17.132 2.438 0.138 1.00 0.00 C ATOM 1359 O LEU A 93 16.764 1.277 -0.042 1.00 0.00 O ATOM 1360 CB LEU A 93 16.406 3.098 2.438 1.00 0.00 C ATOM 1361 CG LEU A 93 15.633 4.032 3.372 1.00 0.00 C ATOM 1362 CD1 LEU A 93 15.884 3.657 4.825 1.00 0.00 C ATOM 1363 CD2 LEU A 93 16.016 5.483 3.120 1.00 0.00 C ATOM 0 H LEU A 93 14.358 2.569 0.929 1.00 0.00 H new ATOM 0 HA LEU A 93 16.636 4.424 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 93 16.065 2.077 2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 93 17.461 3.132 2.710 1.00 0.00 H new ATOM 0 HG LEU A 93 14.569 3.920 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.327 4.331 5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.556 2.632 4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 93 16.949 3.739 5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.455 6.130 3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 93 17.084 5.613 3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.784 5.747 2.088 1.00 0.00 H new ATOM 1375 N LYS A 94 18.273 2.917 -0.345 1.00 0.00 N ATOM 1376 CA LYS A 94 19.179 2.086 -1.132 1.00 0.00 C ATOM 1377 C LYS A 94 19.924 1.095 -0.238 1.00 0.00 C ATOM 1378 O LYS A 94 20.424 1.465 0.824 1.00 0.00 O ATOM 1379 CB LYS A 94 20.180 2.959 -1.892 1.00 0.00 C ATOM 1380 CG LYS A 94 19.528 3.988 -2.806 1.00 0.00 C ATOM 1381 CD LYS A 94 18.626 3.333 -3.845 1.00 0.00 C ATOM 1382 CE LYS A 94 19.402 2.386 -4.747 1.00 0.00 C ATOM 1383 NZ LYS A 94 18.516 1.717 -5.740 1.00 0.00 N ATOM 0 H LYS A 94 18.593 3.875 -0.206 1.00 0.00 H new ATOM 0 HA LYS A 94 18.583 1.523 -1.850 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.816 3.476 -1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.829 2.317 -2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 94 18.944 4.687 -2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 94 20.301 4.568 -3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 94 17.829 2.785 -3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 94 18.149 4.104 -4.451 1.00 0.00 H new ATOM 0 HE2 LYS A 94 20.181 2.940 -5.270 1.00 0.00 H new ATOM 0 HE3 LYS A 94 19.901 1.632 -4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 19.082 1.080 -6.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 17.787 1.168 -5.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 18.059 2.435 -6.337 1.00 0.00 H new ATOM 1397 N PRO A 95 20.011 -0.181 -0.658 1.00 0.00 N ATOM 1398 CA PRO A 95 20.703 -1.221 0.114 1.00 0.00 C ATOM 1399 C PRO A 95 22.148 -0.849 0.422 1.00 0.00 C ATOM 1400 O PRO A 95 22.898 -0.452 -0.471 1.00 0.00 O ATOM 1401 CB PRO A 95 20.661 -2.441 -0.809 1.00 0.00 C ATOM 1402 CG PRO A 95 19.496 -2.200 -1.704 1.00 0.00 C ATOM 1403 CD PRO A 95 19.443 -0.712 -1.910 1.00 0.00 C ATOM 0 HA PRO A 95 20.232 -1.383 1.084 1.00 0.00 H new ATOM 0 HB2 PRO A 95 21.585 -2.538 -1.379 1.00 0.00 H new ATOM 0 HB3 PRO A 95 20.539 -3.363 -0.241 1.00 0.00 H new ATOM 0 HG2 PRO A 95 19.616 -2.723 -2.653 1.00 0.00 H new ATOM 0 HG3 PRO A 95 18.574 -2.566 -1.253 1.00 0.00 H new ATOM 0 HD2 PRO A 95 20.025 -0.404 -2.779 1.00 0.00 H new ATOM 0 HD3 PRO A 95 18.423 -0.363 -2.070 1.00 0.00 H new