USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 621 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 36 LYS NZ :NH3+ -155:sc= -0.217 (180deg=-0.318) USER MOD Set 1.2: A 55 ASN : amide:sc= 0 X(o=-0.22,f=-0.22) USER MOD Single : A 14 SER OG : rot 180:sc= -1.11! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 39:sc= -6.2! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 150:sc= 0.549 USER MOD Single : A 27 THR OG1 : rot -138:sc= -0.284 USER MOD Single : A 31 HIS :FLIP no HD1:sc= -1.51 F(o=-2.3!,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ -159:sc= -1.22 (180deg=-2.67!) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.708 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0909 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot -87:sc= 0.233 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -149:sc= -4.62! USER MOD Single : A 58 HIS : no HD1:sc= -0.516 X(o=-0.52,f=-0.076) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.378) USER MOD Single : A 82 GLN : amide:sc= -6.21! C(o=-6.2!,f=-7!) USER MOD Single : A 87 GLN : amide:sc= -12.5! C(o=-13!,f=-19!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 99 N VAL A 7 -2.680 -10.580 5.373 1.00 0.00 N ATOM 100 CA VAL A 7 -2.428 -9.913 4.065 1.00 0.00 C ATOM 101 C VAL A 7 -3.055 -8.514 4.075 1.00 0.00 C ATOM 102 O VAL A 7 -2.800 -7.713 4.953 1.00 0.00 O ATOM 103 CB VAL A 7 -3.110 -10.773 3.007 1.00 0.00 C ATOM 104 CG1 VAL A 7 -2.539 -10.404 1.642 1.00 0.00 C ATOM 105 CG2 VAL A 7 -2.882 -12.254 3.281 1.00 0.00 C ATOM 0 HA VAL A 7 -1.361 -9.810 3.867 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.184 -10.589 3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.016 -11.010 0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.727 -9.349 1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.465 -10.588 1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.378 -12.847 2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.813 -12.466 3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.291 -12.511 4.258 1.00 0.00 H new ATOM 115 N ILE A 8 -3.885 -8.217 3.107 1.00 0.00 N ATOM 116 CA ILE A 8 -4.541 -6.891 3.053 1.00 0.00 C ATOM 117 C ILE A 8 -5.169 -6.559 4.411 1.00 0.00 C ATOM 118 O ILE A 8 -6.241 -7.023 4.742 1.00 0.00 O ATOM 119 CB ILE A 8 -5.609 -7.061 1.974 1.00 0.00 C ATOM 120 CG1 ILE A 8 -4.956 -7.534 0.676 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.291 -5.722 1.719 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.778 -8.681 0.090 1.00 0.00 C ATOM 0 H ILE A 8 -4.134 -8.850 2.347 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.854 -6.075 2.830 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.342 -7.795 2.309 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.897 -6.711 -0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.935 -7.863 0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.053 -5.843 0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.757 -5.370 2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.551 -4.994 1.386 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.317 -9.023 -0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.813 -9.505 0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.791 -8.335 -0.115 1.00 0.00 H new ATOM 134 N LEU A 9 -4.498 -5.764 5.201 1.00 0.00 N ATOM 135 CA LEU A 9 -5.042 -5.404 6.543 1.00 0.00 C ATOM 136 C LEU A 9 -6.421 -4.743 6.409 1.00 0.00 C ATOM 137 O LEU A 9 -7.405 -5.400 6.134 1.00 0.00 O ATOM 138 CB LEU A 9 -4.019 -4.433 7.133 1.00 0.00 C ATOM 139 CG LEU A 9 -2.837 -5.219 7.704 1.00 0.00 C ATOM 140 CD1 LEU A 9 -1.607 -5.006 6.819 1.00 0.00 C ATOM 141 CD2 LEU A 9 -2.535 -4.725 9.120 1.00 0.00 C ATOM 0 H LEU A 9 -3.595 -5.348 4.975 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.185 -6.277 7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.672 -3.742 6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.482 -3.832 7.916 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.086 -6.280 7.732 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.765 -5.566 7.226 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.821 -5.355 5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.358 -3.945 6.791 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.693 -5.284 9.529 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.286 -3.664 9.090 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.410 -4.874 9.752 1.00 0.00 H new ATOM 153 N ALA A 10 -6.509 -3.452 6.607 1.00 0.00 N ATOM 154 CA ALA A 10 -7.831 -2.771 6.495 1.00 0.00 C ATOM 155 C ALA A 10 -7.889 -1.917 5.226 1.00 0.00 C ATOM 156 O ALA A 10 -6.873 -1.606 4.637 1.00 0.00 O ATOM 157 CB ALA A 10 -7.926 -1.886 7.737 1.00 0.00 C ATOM 0 H ALA A 10 -5.725 -2.843 6.841 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.654 -3.483 6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.874 -1.349 7.729 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.868 -2.507 8.631 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.104 -1.170 7.738 1.00 0.00 H new ATOM 163 N PRO A 11 -9.089 -1.566 4.851 1.00 0.00 N ATOM 164 CA PRO A 11 -9.298 -0.736 3.642 1.00 0.00 C ATOM 165 C PRO A 11 -8.882 0.714 3.910 1.00 0.00 C ATOM 166 O PRO A 11 -9.234 1.296 4.916 1.00 0.00 O ATOM 167 CB PRO A 11 -10.802 -0.832 3.398 1.00 0.00 C ATOM 168 CG PRO A 11 -11.394 -1.147 4.735 1.00 0.00 C ATOM 169 CD PRO A 11 -10.352 -1.909 5.513 1.00 0.00 C ATOM 0 HA PRO A 11 -8.709 -1.068 2.787 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.198 0.103 3.002 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.035 -1.610 2.671 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.673 -0.232 5.258 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.302 -1.740 4.624 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.344 -1.615 6.563 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.539 -2.983 5.484 1.00 0.00 H new ATOM 177 N VAL A 12 -8.139 1.301 3.013 1.00 0.00 N ATOM 178 CA VAL A 12 -7.706 2.716 3.214 1.00 0.00 C ATOM 179 C VAL A 12 -8.686 3.666 2.521 1.00 0.00 C ATOM 180 O VAL A 12 -8.842 3.643 1.317 1.00 0.00 O ATOM 181 CB VAL A 12 -6.314 2.817 2.578 1.00 0.00 C ATOM 182 CG1 VAL A 12 -6.320 2.156 1.201 1.00 0.00 C ATOM 183 CG2 VAL A 12 -5.935 4.290 2.422 1.00 0.00 C ATOM 0 H VAL A 12 -7.813 0.865 2.151 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.682 2.991 4.269 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.592 2.311 3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.328 2.232 0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.592 1.105 1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.044 2.658 0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.946 4.365 1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.665 4.788 1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.924 4.769 3.401 1.00 0.00 H new ATOM 193 N LEU A 13 -9.352 4.497 3.276 1.00 0.00 N ATOM 194 CA LEU A 13 -10.329 5.442 2.663 1.00 0.00 C ATOM 195 C LEU A 13 -9.714 6.839 2.538 1.00 0.00 C ATOM 196 O LEU A 13 -9.509 7.530 3.517 1.00 0.00 O ATOM 197 CB LEU A 13 -11.518 5.465 3.627 1.00 0.00 C ATOM 198 CG LEU A 13 -12.135 4.065 3.727 1.00 0.00 C ATOM 199 CD1 LEU A 13 -12.262 3.454 2.330 1.00 0.00 C ATOM 200 CD2 LEU A 13 -11.241 3.174 4.593 1.00 0.00 C ATOM 0 H LEU A 13 -9.262 4.562 4.290 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.622 5.135 1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.193 5.800 4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -12.266 6.178 3.279 1.00 0.00 H new ATOM 0 HG LEU A 13 -13.124 4.140 4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.701 2.459 2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.901 4.086 1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.275 3.381 1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.679 2.179 4.664 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.251 3.103 4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -11.155 3.605 5.591 1.00 0.00 H new ATOM 212 N SER A 14 -9.420 7.259 1.338 1.00 0.00 N ATOM 213 CA SER A 14 -8.822 8.610 1.144 1.00 0.00 C ATOM 214 C SER A 14 -9.044 9.079 -0.296 1.00 0.00 C ATOM 215 O SER A 14 -9.366 8.297 -1.169 1.00 0.00 O ATOM 216 CB SER A 14 -7.330 8.427 1.426 1.00 0.00 C ATOM 217 OG SER A 14 -7.155 7.362 2.351 1.00 0.00 O ATOM 0 H SER A 14 -9.568 6.724 0.482 1.00 0.00 H new ATOM 0 HA SER A 14 -9.269 9.360 1.796 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.797 8.211 0.500 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.909 9.348 1.830 1.00 0.00 H new ATOM 0 HG SER A 14 -6.200 7.241 2.533 1.00 0.00 H new ATOM 223 N GLU A 15 -8.876 10.347 -0.553 1.00 0.00 N ATOM 224 CA GLU A 15 -9.079 10.859 -1.938 1.00 0.00 C ATOM 225 C GLU A 15 -8.446 9.900 -2.951 1.00 0.00 C ATOM 226 O GLU A 15 -9.086 9.457 -3.884 1.00 0.00 O ATOM 227 CB GLU A 15 -8.372 12.216 -1.970 1.00 0.00 C ATOM 228 CG GLU A 15 -9.149 13.219 -1.115 1.00 0.00 C ATOM 229 CD GLU A 15 -8.167 14.133 -0.382 1.00 0.00 C ATOM 230 OE1 GLU A 15 -7.252 13.614 0.237 1.00 0.00 O ATOM 231 OE2 GLU A 15 -8.344 15.338 -0.453 1.00 0.00 O ATOM 0 H GLU A 15 -8.607 11.050 0.135 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.135 10.946 -2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.353 12.116 -1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.300 12.576 -2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.813 13.811 -1.744 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.777 12.691 -0.397 1.00 0.00 H new ATOM 238 N LYS A 16 -7.194 9.574 -2.772 1.00 0.00 N ATOM 239 CA LYS A 16 -6.524 8.643 -3.722 1.00 0.00 C ATOM 240 C LYS A 16 -7.283 7.314 -3.780 1.00 0.00 C ATOM 241 O LYS A 16 -7.445 6.725 -4.829 1.00 0.00 O ATOM 242 CB LYS A 16 -5.120 8.436 -3.151 1.00 0.00 C ATOM 243 CG LYS A 16 -4.385 9.777 -3.101 1.00 0.00 C ATOM 244 CD LYS A 16 -3.783 9.980 -1.709 1.00 0.00 C ATOM 245 CE LYS A 16 -2.275 9.726 -1.761 1.00 0.00 C ATOM 246 NZ LYS A 16 -1.729 10.401 -0.552 1.00 0.00 N ATOM 0 H LYS A 16 -6.608 9.912 -2.009 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.495 9.037 -4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.182 8.006 -2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.566 7.729 -3.768 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.599 9.801 -3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.074 10.590 -3.333 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.980 10.994 -1.361 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.252 9.302 -0.996 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.054 8.659 -1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.837 10.134 -2.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.698 10.271 -0.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.949 11.417 -0.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.159 9.988 0.300 1.00 0.00 H new ATOM 260 N ALA A 17 -7.755 6.843 -2.658 1.00 0.00 N ATOM 261 CA ALA A 17 -8.511 5.559 -2.644 1.00 0.00 C ATOM 262 C ALA A 17 -10.003 5.838 -2.820 1.00 0.00 C ATOM 263 O ALA A 17 -10.844 5.054 -2.430 1.00 0.00 O ATOM 264 CB ALA A 17 -8.236 4.948 -1.270 1.00 0.00 C ATOM 0 H ALA A 17 -7.649 7.293 -1.749 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.210 4.889 -3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.761 3.997 -1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.165 4.784 -1.153 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.586 5.628 -0.493 1.00 0.00 H new ATOM 270 N TYR A 18 -10.331 6.957 -3.407 1.00 0.00 N ATOM 271 CA TYR A 18 -11.764 7.307 -3.618 1.00 0.00 C ATOM 272 C TYR A 18 -12.005 7.604 -5.100 1.00 0.00 C ATOM 273 O TYR A 18 -12.744 6.910 -5.770 1.00 0.00 O ATOM 274 CB TYR A 18 -11.990 8.562 -2.772 1.00 0.00 C ATOM 275 CG TYR A 18 -12.904 8.245 -1.611 1.00 0.00 C ATOM 276 CD1 TYR A 18 -12.940 6.954 -1.066 1.00 0.00 C ATOM 277 CD2 TYR A 18 -13.717 9.251 -1.076 1.00 0.00 C ATOM 278 CE1 TYR A 18 -13.789 6.670 0.010 1.00 0.00 C ATOM 279 CE2 TYR A 18 -14.565 8.967 0.001 1.00 0.00 C ATOM 280 CZ TYR A 18 -14.602 7.677 0.543 1.00 0.00 C ATOM 281 OH TYR A 18 -15.438 7.398 1.605 1.00 0.00 O ATOM 0 H TYR A 18 -9.664 7.647 -3.751 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.442 6.502 -3.335 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.036 8.938 -2.402 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.427 9.350 -3.385 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -12.312 6.177 -1.477 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -13.690 10.246 -1.494 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -13.817 5.675 0.429 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -15.191 9.744 0.414 1.00 0.00 H new ATOM 0 HH TYR A 18 -14.980 6.802 2.234 1.00 0.00 H new ATOM 291 N ALA A 19 -11.378 8.623 -5.619 1.00 0.00 N ATOM 292 CA ALA A 19 -11.562 8.953 -7.060 1.00 0.00 C ATOM 293 C ALA A 19 -11.021 7.808 -7.921 1.00 0.00 C ATOM 294 O ALA A 19 -11.261 7.741 -9.111 1.00 0.00 O ATOM 295 CB ALA A 19 -10.748 10.227 -7.285 1.00 0.00 C ATOM 0 H ALA A 19 -10.747 9.241 -5.108 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.609 9.094 -7.328 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.834 10.534 -8.327 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.128 11.020 -6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.701 10.037 -7.048 1.00 0.00 H new ATOM 301 N GLY A 20 -10.301 6.901 -7.318 1.00 0.00 N ATOM 302 CA GLY A 20 -9.748 5.746 -8.079 1.00 0.00 C ATOM 303 C GLY A 20 -10.577 4.512 -7.748 1.00 0.00 C ATOM 304 O GLY A 20 -10.901 3.714 -8.606 1.00 0.00 O ATOM 0 H GLY A 20 -10.071 6.911 -6.324 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.779 5.948 -9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.703 5.583 -7.815 1.00 0.00 H new ATOM 308 N PHE A 21 -10.939 4.362 -6.505 1.00 0.00 N ATOM 309 CA PHE A 21 -11.765 3.196 -6.103 1.00 0.00 C ATOM 310 C PHE A 21 -13.199 3.414 -6.596 1.00 0.00 C ATOM 311 O PHE A 21 -13.925 2.482 -6.880 1.00 0.00 O ATOM 312 CB PHE A 21 -11.675 3.194 -4.569 1.00 0.00 C ATOM 313 CG PHE A 21 -13.035 2.990 -3.939 1.00 0.00 C ATOM 314 CD1 PHE A 21 -13.799 1.863 -4.262 1.00 0.00 C ATOM 315 CD2 PHE A 21 -13.527 3.934 -3.033 1.00 0.00 C ATOM 316 CE1 PHE A 21 -15.059 1.682 -3.678 1.00 0.00 C ATOM 317 CE2 PHE A 21 -14.786 3.754 -2.448 1.00 0.00 C ATOM 318 CZ PHE A 21 -15.552 2.628 -2.769 1.00 0.00 C ATOM 0 H PHE A 21 -10.696 5.001 -5.748 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.435 2.244 -6.520 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.999 2.404 -4.243 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.251 4.138 -4.226 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -13.417 1.133 -4.961 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.935 4.803 -2.784 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -15.651 0.814 -3.928 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -15.166 4.484 -1.749 1.00 0.00 H new ATOM 0 HZ PHE A 21 -16.523 2.488 -2.317 1.00 0.00 H new ATOM 328 N ALA A 22 -13.601 4.648 -6.693 1.00 0.00 N ATOM 329 CA ALA A 22 -14.977 4.958 -7.157 1.00 0.00 C ATOM 330 C ALA A 22 -15.325 4.132 -8.399 1.00 0.00 C ATOM 331 O ALA A 22 -16.481 3.899 -8.697 1.00 0.00 O ATOM 332 CB ALA A 22 -14.942 6.446 -7.493 1.00 0.00 C ATOM 0 H ALA A 22 -13.029 5.462 -6.468 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.731 4.721 -6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.923 6.762 -7.846 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.677 7.014 -6.601 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.201 6.626 -8.272 1.00 0.00 H new ATOM 338 N GLU A 23 -14.337 3.690 -9.129 1.00 0.00 N ATOM 339 CA GLU A 23 -14.615 2.884 -10.353 1.00 0.00 C ATOM 340 C GLU A 23 -14.681 1.393 -10.010 1.00 0.00 C ATOM 341 O GLU A 23 -15.147 0.588 -10.790 1.00 0.00 O ATOM 342 CB GLU A 23 -13.436 3.162 -11.285 1.00 0.00 C ATOM 343 CG GLU A 23 -13.897 3.044 -12.739 1.00 0.00 C ATOM 344 CD GLU A 23 -14.268 4.428 -13.273 1.00 0.00 C ATOM 345 OE1 GLU A 23 -13.645 5.389 -12.853 1.00 0.00 O ATOM 346 OE2 GLU A 23 -15.169 4.503 -14.091 1.00 0.00 O ATOM 0 H GLU A 23 -13.350 3.852 -8.931 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.570 3.147 -10.807 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -13.038 4.159 -11.098 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.629 2.455 -11.089 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.105 2.608 -13.348 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.755 2.375 -12.806 1.00 0.00 H new ATOM 353 N GLY A 24 -14.214 1.020 -8.851 1.00 0.00 N ATOM 354 CA GLY A 24 -14.244 -0.409 -8.462 1.00 0.00 C ATOM 355 C GLY A 24 -12.879 -0.822 -7.908 1.00 0.00 C ATOM 356 O GLY A 24 -12.679 -1.949 -7.502 1.00 0.00 O ATOM 0 H GLY A 24 -13.812 1.650 -8.157 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.017 -0.575 -7.712 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.499 -1.025 -9.324 1.00 0.00 H new ATOM 360 N LYS A 25 -11.937 0.084 -7.885 1.00 0.00 N ATOM 361 CA LYS A 25 -10.583 -0.253 -7.356 1.00 0.00 C ATOM 362 C LYS A 25 -10.593 -0.168 -5.827 1.00 0.00 C ATOM 363 O LYS A 25 -11.312 0.620 -5.252 1.00 0.00 O ATOM 364 CB LYS A 25 -9.661 0.817 -7.947 1.00 0.00 C ATOM 365 CG LYS A 25 -9.459 0.552 -9.440 1.00 0.00 C ATOM 366 CD LYS A 25 -7.986 0.231 -9.708 1.00 0.00 C ATOM 367 CE LYS A 25 -7.677 0.443 -11.191 1.00 0.00 C ATOM 368 NZ LYS A 25 -6.346 -0.190 -11.401 1.00 0.00 N ATOM 0 H LYS A 25 -12.047 1.044 -8.210 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.263 -1.261 -7.621 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.093 1.807 -7.798 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.700 0.808 -7.432 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.087 -0.279 -9.761 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.763 1.424 -10.019 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.347 0.870 -9.098 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.770 -0.799 -9.425 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.437 -0.017 -11.822 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.654 1.504 -11.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.065 -0.085 -12.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.641 0.273 -10.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.400 -1.200 -11.161 1.00 0.00 H new ATOM 382 N TYR A 26 -9.821 -0.983 -5.159 1.00 0.00 N ATOM 383 CA TYR A 26 -9.822 -0.933 -3.669 1.00 0.00 C ATOM 384 C TYR A 26 -8.409 -0.778 -3.109 1.00 0.00 C ATOM 385 O TYR A 26 -7.629 -1.708 -3.085 1.00 0.00 O ATOM 386 CB TYR A 26 -10.431 -2.261 -3.219 1.00 0.00 C ATOM 387 CG TYR A 26 -11.819 -2.402 -3.796 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.634 -1.274 -3.948 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.289 -3.662 -4.182 1.00 0.00 C ATOM 390 CE1 TYR A 26 -13.920 -1.406 -4.486 1.00 0.00 C ATOM 391 CE2 TYR A 26 -13.574 -3.794 -4.719 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.390 -2.667 -4.872 1.00 0.00 C ATOM 393 OH TYR A 26 -15.658 -2.798 -5.401 1.00 0.00 O ATOM 0 H TYR A 26 -9.196 -1.674 -5.575 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.387 -0.075 -3.306 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.804 -3.090 -3.547 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.472 -2.304 -2.131 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.271 -0.302 -3.650 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.660 -4.532 -4.065 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.549 -0.536 -4.603 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.937 -4.767 -5.016 1.00 0.00 H new ATOM 0 HH TYR A 26 -15.675 -3.551 -6.028 1.00 0.00 H new ATOM 403 N THR A 27 -8.097 0.388 -2.621 1.00 0.00 N ATOM 404 CA THR A 27 -6.765 0.622 -2.019 1.00 0.00 C ATOM 405 C THR A 27 -6.744 -0.033 -0.641 1.00 0.00 C ATOM 406 O THR A 27 -7.615 0.193 0.175 1.00 0.00 O ATOM 407 CB THR A 27 -6.638 2.141 -1.910 1.00 0.00 C ATOM 408 OG1 THR A 27 -7.190 2.745 -3.071 1.00 0.00 O ATOM 409 CG2 THR A 27 -5.162 2.520 -1.788 1.00 0.00 C ATOM 0 H THR A 27 -8.719 1.197 -2.615 1.00 0.00 H new ATOM 0 HA THR A 27 -5.943 0.205 -2.601 1.00 0.00 H new ATOM 0 HB THR A 27 -7.176 2.491 -1.029 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.611 3.480 -3.364 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.070 3.603 -1.710 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.739 2.055 -0.897 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.623 2.172 -2.669 1.00 0.00 H new ATOM 417 N PHE A 28 -5.782 -0.861 -0.383 1.00 0.00 N ATOM 418 CA PHE A 28 -5.734 -1.547 0.934 1.00 0.00 C ATOM 419 C PHE A 28 -4.321 -1.519 1.497 1.00 0.00 C ATOM 420 O PHE A 28 -3.371 -1.281 0.787 1.00 0.00 O ATOM 421 CB PHE A 28 -6.159 -2.983 0.636 1.00 0.00 C ATOM 422 CG PHE A 28 -7.500 -3.245 1.268 1.00 0.00 C ATOM 423 CD1 PHE A 28 -7.593 -3.431 2.651 1.00 0.00 C ATOM 424 CD2 PHE A 28 -8.651 -3.295 0.474 1.00 0.00 C ATOM 425 CE1 PHE A 28 -8.837 -3.670 3.242 1.00 0.00 C ATOM 426 CE2 PHE A 28 -9.897 -3.530 1.066 1.00 0.00 C ATOM 427 CZ PHE A 28 -9.990 -3.718 2.450 1.00 0.00 C ATOM 0 H PHE A 28 -5.025 -1.095 -1.025 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.376 -1.069 1.673 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.214 -3.142 -0.441 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.418 -3.682 1.024 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.704 -3.390 3.262 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.578 -3.152 -0.594 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.908 -3.818 4.309 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.787 -3.566 0.455 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.952 -3.900 2.907 1.00 0.00 H new ATOM 437 N TRP A 29 -4.172 -1.787 2.762 1.00 0.00 N ATOM 438 CA TRP A 29 -2.817 -1.802 3.362 1.00 0.00 C ATOM 439 C TRP A 29 -2.392 -3.253 3.509 1.00 0.00 C ATOM 440 O TRP A 29 -3.077 -4.048 4.122 1.00 0.00 O ATOM 441 CB TRP A 29 -2.970 -1.132 4.727 1.00 0.00 C ATOM 442 CG TRP A 29 -3.037 0.350 4.544 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.032 1.145 4.999 1.00 0.00 C ATOM 444 CD2 TRP A 29 -2.091 1.224 3.863 1.00 0.00 C ATOM 445 NE1 TRP A 29 -3.756 2.453 4.641 1.00 0.00 N ATOM 446 CE2 TRP A 29 -2.570 2.553 3.940 1.00 0.00 C ATOM 447 CE3 TRP A 29 -0.875 0.995 3.193 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -1.867 3.617 3.372 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -0.165 2.063 2.621 1.00 0.00 C ATOM 450 CH2 TRP A 29 -0.660 3.371 2.710 1.00 0.00 C ATOM 0 H TRP A 29 -4.934 -1.997 3.406 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.067 -1.284 2.764 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.873 -1.490 5.222 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.129 -1.393 5.370 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.899 0.814 5.551 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.355 3.247 4.867 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.485 -0.009 3.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.253 4.623 3.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.768 1.875 2.110 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.110 4.188 2.268 1.00 0.00 H new ATOM 461 N VAL A 30 -1.299 -3.625 2.924 1.00 0.00 N ATOM 462 CA VAL A 30 -0.885 -5.034 3.007 1.00 0.00 C ATOM 463 C VAL A 30 0.627 -5.168 3.048 1.00 0.00 C ATOM 464 O VAL A 30 1.362 -4.242 2.769 1.00 0.00 O ATOM 465 CB VAL A 30 -1.438 -5.655 1.743 1.00 0.00 C ATOM 466 CG1 VAL A 30 -0.758 -5.044 0.517 1.00 0.00 C ATOM 467 CG2 VAL A 30 -1.180 -7.139 1.782 1.00 0.00 C ATOM 0 H VAL A 30 -0.678 -3.014 2.394 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.251 -5.516 3.914 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.509 -5.464 1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.163 -5.498 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.941 -3.970 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.315 -5.229 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.574 -7.601 0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.107 -7.320 1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.673 -7.571 2.653 1.00 0.00 H new ATOM 477 N HIS A 31 1.085 -6.328 3.391 1.00 0.00 N ATOM 478 CA HIS A 31 2.550 -6.562 3.457 1.00 0.00 C ATOM 479 C HIS A 31 3.135 -6.611 2.045 1.00 0.00 C ATOM 480 O HIS A 31 2.410 -6.659 1.070 1.00 0.00 O ATOM 481 CB HIS A 31 2.706 -7.916 4.150 1.00 0.00 C ATOM 482 CG HIS A 31 3.325 -7.716 5.505 1.00 0.00 C ATOM 483 ND1 HIS A 31 4.549 -8.070 6.016 1.00 0.00 N flip ATOM 484 CD2 HIS A 31 2.656 -7.071 6.534 1.00 0.00 C flip ATOM 485 CE1 HIS A 31 4.642 -7.652 7.341 1.00 0.00 C flip ATOM 486 NE2 HIS A 31 3.475 -7.056 7.602 1.00 0.00 N flip ATOM 0 H HIS A 31 0.507 -7.133 3.631 1.00 0.00 H new ATOM 0 HA HIS A 31 3.073 -5.770 3.993 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.734 -8.400 4.250 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.330 -8.576 3.547 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.660 -6.656 6.487 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.477 -7.782 8.013 1.00 0.00 H new ATOM 0 HE2 HIS A 31 3.234 -6.640 8.502 1.00 0.00 H new ATOM 494 N PRO A 32 4.433 -6.599 1.991 1.00 0.00 N ATOM 495 CA PRO A 32 5.146 -6.645 0.692 1.00 0.00 C ATOM 496 C PRO A 32 5.091 -8.052 0.130 1.00 0.00 C ATOM 497 O PRO A 32 4.665 -8.291 -0.982 1.00 0.00 O ATOM 498 CB PRO A 32 6.572 -6.267 1.062 1.00 0.00 C ATOM 499 CG PRO A 32 6.719 -6.635 2.504 1.00 0.00 C ATOM 500 CD PRO A 32 5.352 -6.544 3.129 1.00 0.00 C ATOM 0 HA PRO A 32 4.720 -5.988 -0.066 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.293 -6.802 0.444 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.749 -5.202 0.908 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.122 -7.643 2.605 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.416 -5.962 3.004 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.176 -7.366 3.823 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.233 -5.619 3.693 1.00 0.00 H new ATOM 508 N LYS A 33 5.508 -8.975 0.920 1.00 0.00 N ATOM 509 CA LYS A 33 5.495 -10.397 0.520 1.00 0.00 C ATOM 510 C LYS A 33 4.151 -10.774 -0.113 1.00 0.00 C ATOM 511 O LYS A 33 4.051 -11.730 -0.857 1.00 0.00 O ATOM 512 CB LYS A 33 5.691 -11.096 1.853 1.00 0.00 C ATOM 513 CG LYS A 33 4.688 -10.524 2.864 1.00 0.00 C ATOM 514 CD LYS A 33 3.965 -11.667 3.579 1.00 0.00 C ATOM 515 CE LYS A 33 4.768 -12.091 4.811 1.00 0.00 C ATOM 516 NZ LYS A 33 6.032 -12.665 4.268 1.00 0.00 N ATOM 0 H LYS A 33 5.870 -8.803 1.858 1.00 0.00 H new ATOM 0 HA LYS A 33 6.245 -10.657 -0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.543 -12.170 1.741 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.711 -10.950 2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.207 -9.898 3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.966 -9.887 2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.965 -11.349 3.876 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.843 -12.513 2.903 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.969 -11.241 5.463 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.223 -12.826 5.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.466 -13.285 4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.823 -13.216 3.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.690 -11.895 4.032 1.00 0.00 H new ATOM 530 N ALA A 34 3.116 -10.033 0.176 1.00 0.00 N ATOM 531 CA ALA A 34 1.783 -10.352 -0.409 1.00 0.00 C ATOM 532 C ALA A 34 1.806 -10.148 -1.926 1.00 0.00 C ATOM 533 O ALA A 34 1.749 -9.036 -2.413 1.00 0.00 O ATOM 534 CB ALA A 34 0.818 -9.364 0.247 1.00 0.00 C ATOM 0 H ALA A 34 3.136 -9.220 0.792 1.00 0.00 H new ATOM 0 HA ALA A 34 1.493 -11.388 -0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.190 -9.534 -0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.828 -9.508 1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.126 -8.345 0.014 1.00 0.00 H new ATOM 540 N THR A 35 1.888 -11.211 -2.677 1.00 0.00 N ATOM 541 CA THR A 35 1.912 -11.074 -4.161 1.00 0.00 C ATOM 542 C THR A 35 0.564 -10.553 -4.665 1.00 0.00 C ATOM 543 O THR A 35 -0.478 -10.899 -4.145 1.00 0.00 O ATOM 544 CB THR A 35 2.171 -12.487 -4.686 1.00 0.00 C ATOM 545 OG1 THR A 35 1.580 -13.433 -3.807 1.00 0.00 O ATOM 546 CG2 THR A 35 3.678 -12.735 -4.770 1.00 0.00 C ATOM 0 H THR A 35 1.939 -12.168 -2.328 1.00 0.00 H new ATOM 0 HA THR A 35 2.672 -10.369 -4.498 1.00 0.00 H new ATOM 0 HB THR A 35 1.734 -12.592 -5.679 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.744 -14.339 -4.143 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.861 -13.742 -5.144 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.129 -12.009 -5.447 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.120 -12.631 -3.779 1.00 0.00 H new ATOM 554 N LYS A 36 0.576 -9.722 -5.672 1.00 0.00 N ATOM 555 CA LYS A 36 -0.706 -9.180 -6.208 1.00 0.00 C ATOM 556 C LYS A 36 -1.756 -10.292 -6.290 1.00 0.00 C ATOM 557 O LYS A 36 -2.920 -10.083 -6.015 1.00 0.00 O ATOM 558 CB LYS A 36 -0.364 -8.663 -7.607 1.00 0.00 C ATOM 559 CG LYS A 36 0.476 -7.389 -7.491 1.00 0.00 C ATOM 560 CD LYS A 36 0.582 -6.721 -8.863 1.00 0.00 C ATOM 561 CE LYS A 36 0.143 -5.259 -8.755 1.00 0.00 C ATOM 562 NZ LYS A 36 -0.184 -4.851 -10.150 1.00 0.00 N ATOM 0 H LYS A 36 1.418 -9.395 -6.147 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.120 -8.396 -5.574 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.185 -9.423 -8.163 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.278 -8.459 -8.164 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.021 -6.704 -6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.470 -7.629 -7.114 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.607 -6.778 -9.228 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.043 -7.247 -9.585 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.722 -5.154 -8.100 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.936 -4.638 -8.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.080 -3.820 -10.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.463 -5.326 -10.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.164 -5.121 -10.370 1.00 0.00 H new ATOM 576 N THR A 37 -1.348 -11.473 -6.666 1.00 0.00 N ATOM 577 CA THR A 37 -2.317 -12.601 -6.765 1.00 0.00 C ATOM 578 C THR A 37 -2.814 -13.007 -5.377 1.00 0.00 C ATOM 579 O THR A 37 -4.001 -13.090 -5.132 1.00 0.00 O ATOM 580 CB THR A 37 -1.534 -13.739 -7.395 1.00 0.00 C ATOM 581 OG1 THR A 37 -0.562 -13.215 -8.288 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.491 -14.660 -8.151 1.00 0.00 C ATOM 0 H THR A 37 -0.385 -11.706 -6.909 1.00 0.00 H new ATOM 0 HA THR A 37 -3.196 -12.331 -7.350 1.00 0.00 H new ATOM 0 HB THR A 37 -1.030 -14.308 -6.614 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.057 -13.952 -8.691 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.929 -15.477 -8.603 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.228 -15.067 -7.458 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.000 -14.094 -8.931 1.00 0.00 H new ATOM 590 N GLU A 38 -1.914 -13.263 -4.468 1.00 0.00 N ATOM 591 CA GLU A 38 -2.337 -13.669 -3.097 1.00 0.00 C ATOM 592 C GLU A 38 -3.285 -12.623 -2.508 1.00 0.00 C ATOM 593 O GLU A 38 -4.297 -12.950 -1.924 1.00 0.00 O ATOM 594 CB GLU A 38 -1.043 -13.739 -2.285 1.00 0.00 C ATOM 595 CG GLU A 38 -0.415 -15.125 -2.444 1.00 0.00 C ATOM 596 CD GLU A 38 -1.325 -16.176 -1.805 1.00 0.00 C ATOM 597 OE1 GLU A 38 -2.101 -15.810 -0.938 1.00 0.00 O ATOM 598 OE2 GLU A 38 -1.229 -17.329 -2.194 1.00 0.00 O ATOM 0 H GLU A 38 -0.906 -13.209 -4.614 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.870 -14.620 -3.093 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.347 -12.972 -2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.250 -13.540 -1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.268 -15.350 -3.500 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.568 -15.146 -1.974 1.00 0.00 H new ATOM 605 N ILE A 39 -2.976 -11.366 -2.669 1.00 0.00 N ATOM 606 CA ILE A 39 -3.871 -10.307 -2.124 1.00 0.00 C ATOM 607 C ILE A 39 -5.278 -10.483 -2.702 1.00 0.00 C ATOM 608 O ILE A 39 -6.267 -10.155 -2.079 1.00 0.00 O ATOM 609 CB ILE A 39 -3.241 -8.988 -2.592 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.123 -8.594 -1.624 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.295 -7.875 -2.629 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.391 -7.362 -2.159 1.00 0.00 C ATOM 0 H ILE A 39 -2.145 -11.027 -3.153 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.967 -10.342 -1.039 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.837 -9.124 -3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.539 -8.383 -0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.424 -9.421 -1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.832 -6.946 -2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.092 -8.152 -3.319 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.711 -7.735 -1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.595 -7.083 -1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.961 -7.589 -3.135 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.094 -6.535 -2.256 1.00 0.00 H new ATOM 624 N LYS A 40 -5.366 -10.998 -3.897 1.00 0.00 N ATOM 625 CA LYS A 40 -6.696 -11.200 -4.538 1.00 0.00 C ATOM 626 C LYS A 40 -7.539 -12.208 -3.750 1.00 0.00 C ATOM 627 O LYS A 40 -8.707 -11.994 -3.498 1.00 0.00 O ATOM 628 CB LYS A 40 -6.370 -11.767 -5.920 1.00 0.00 C ATOM 629 CG LYS A 40 -7.628 -11.753 -6.790 1.00 0.00 C ATOM 630 CD LYS A 40 -7.232 -11.643 -8.264 1.00 0.00 C ATOM 631 CE LYS A 40 -7.032 -13.046 -8.844 1.00 0.00 C ATOM 632 NZ LYS A 40 -6.242 -12.836 -10.090 1.00 0.00 N ATOM 0 H LYS A 40 -4.568 -11.290 -4.461 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.271 -10.275 -4.580 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.584 -11.176 -6.390 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.991 -12.785 -5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.206 -12.662 -6.625 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.266 -10.914 -6.511 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.005 -11.114 -8.821 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.315 -11.063 -8.363 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.501 -13.691 -8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.987 -13.525 -9.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.064 -13.753 -10.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.775 -12.224 -10.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.335 -12.385 -9.854 1.00 0.00 H new ATOM 646 N ASN A 41 -6.959 -13.318 -3.388 1.00 0.00 N ATOM 647 CA ASN A 41 -7.721 -14.368 -2.647 1.00 0.00 C ATOM 648 C ASN A 41 -8.300 -13.841 -1.327 1.00 0.00 C ATOM 649 O ASN A 41 -9.364 -14.254 -0.908 1.00 0.00 O ATOM 650 CB ASN A 41 -6.696 -15.468 -2.371 1.00 0.00 C ATOM 651 CG ASN A 41 -6.479 -16.296 -3.638 1.00 0.00 C ATOM 652 OD1 ASN A 41 -7.284 -17.144 -3.969 1.00 0.00 O ATOM 653 ND2 ASN A 41 -5.418 -16.086 -4.367 1.00 0.00 N ATOM 0 H ASN A 41 -5.983 -13.547 -3.574 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.576 -14.716 -3.227 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.753 -15.028 -2.046 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.044 -16.109 -1.561 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.265 -16.633 -5.214 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.742 -15.374 -4.090 1.00 0.00 H new ATOM 660 N ALA A 42 -7.615 -12.961 -0.651 1.00 0.00 N ATOM 661 CA ALA A 42 -8.154 -12.461 0.651 1.00 0.00 C ATOM 662 C ALA A 42 -9.448 -11.667 0.449 1.00 0.00 C ATOM 663 O ALA A 42 -10.436 -11.917 1.109 1.00 0.00 O ATOM 664 CB ALA A 42 -7.055 -11.574 1.244 1.00 0.00 C ATOM 0 H ALA A 42 -6.717 -12.569 -0.936 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.406 -13.286 1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.387 -11.174 2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.151 -12.164 1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.844 -10.751 0.561 1.00 0.00 H new ATOM 670 N VAL A 43 -9.468 -10.714 -0.443 1.00 0.00 N ATOM 671 CA VAL A 43 -10.726 -9.932 -0.640 1.00 0.00 C ATOM 672 C VAL A 43 -11.749 -10.748 -1.435 1.00 0.00 C ATOM 673 O VAL A 43 -12.940 -10.625 -1.231 1.00 0.00 O ATOM 674 CB VAL A 43 -10.326 -8.664 -1.398 1.00 0.00 C ATOM 675 CG1 VAL A 43 -9.573 -7.728 -0.454 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.434 -9.020 -2.586 1.00 0.00 C ATOM 0 H VAL A 43 -8.683 -10.445 -1.036 1.00 0.00 H new ATOM 0 HA VAL A 43 -11.196 -9.686 0.312 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.224 -8.169 -1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.286 -6.824 -0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.216 -7.464 0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.679 -8.228 -0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.156 -8.110 -3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.534 -9.521 -2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.975 -9.684 -3.261 1.00 0.00 H new ATOM 686 N GLU A 44 -11.310 -11.588 -2.332 1.00 0.00 N ATOM 687 CA GLU A 44 -12.287 -12.401 -3.110 1.00 0.00 C ATOM 688 C GLU A 44 -13.162 -13.204 -2.146 1.00 0.00 C ATOM 689 O GLU A 44 -14.375 -13.168 -2.213 1.00 0.00 O ATOM 690 CB GLU A 44 -11.444 -13.335 -3.979 1.00 0.00 C ATOM 691 CG GLU A 44 -11.715 -13.042 -5.457 1.00 0.00 C ATOM 692 CD GLU A 44 -12.607 -14.139 -6.040 1.00 0.00 C ATOM 693 OE1 GLU A 44 -13.493 -14.592 -5.335 1.00 0.00 O ATOM 694 OE2 GLU A 44 -12.387 -14.508 -7.182 1.00 0.00 O ATOM 0 H GLU A 44 -10.328 -11.746 -2.558 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.949 -11.785 -3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.385 -13.197 -3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.684 -14.374 -3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.198 -12.071 -5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.775 -12.992 -6.007 1.00 0.00 H new ATOM 701 N THR A 45 -12.553 -13.921 -1.242 1.00 0.00 N ATOM 702 CA THR A 45 -13.342 -14.721 -0.262 1.00 0.00 C ATOM 703 C THR A 45 -13.855 -13.816 0.862 1.00 0.00 C ATOM 704 O THR A 45 -15.007 -13.877 1.244 1.00 0.00 O ATOM 705 CB THR A 45 -12.357 -15.752 0.290 1.00 0.00 C ATOM 706 OG1 THR A 45 -11.378 -15.093 1.080 1.00 0.00 O ATOM 707 CG2 THR A 45 -11.674 -16.481 -0.869 1.00 0.00 C ATOM 0 H THR A 45 -11.540 -13.988 -1.139 1.00 0.00 H new ATOM 0 HA THR A 45 -14.213 -15.192 -0.717 1.00 0.00 H new ATOM 0 HB THR A 45 -12.894 -16.475 0.904 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.646 -14.787 0.505 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.972 -17.215 -0.474 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.426 -16.987 -1.474 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.136 -15.761 -1.486 1.00 0.00 H new ATOM 715 N ALA A 46 -13.005 -12.980 1.395 1.00 0.00 N ATOM 716 CA ALA A 46 -13.438 -12.073 2.498 1.00 0.00 C ATOM 717 C ALA A 46 -14.593 -11.178 2.032 1.00 0.00 C ATOM 718 O ALA A 46 -15.695 -11.264 2.536 1.00 0.00 O ATOM 719 CB ALA A 46 -12.206 -11.229 2.829 1.00 0.00 C ATOM 0 H ALA A 46 -12.029 -12.886 1.114 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.797 -12.627 3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.446 -10.535 3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.392 -11.882 3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.901 -10.668 1.945 1.00 0.00 H new ATOM 725 N PHE A 47 -14.351 -10.320 1.078 1.00 0.00 N ATOM 726 CA PHE A 47 -15.441 -9.425 0.592 1.00 0.00 C ATOM 727 C PHE A 47 -16.461 -10.226 -0.221 1.00 0.00 C ATOM 728 O PHE A 47 -17.588 -9.812 -0.407 1.00 0.00 O ATOM 729 CB PHE A 47 -14.746 -8.381 -0.284 1.00 0.00 C ATOM 730 CG PHE A 47 -14.158 -7.308 0.597 1.00 0.00 C ATOM 731 CD1 PHE A 47 -14.914 -6.780 1.652 1.00 0.00 C ATOM 732 CD2 PHE A 47 -12.857 -6.844 0.368 1.00 0.00 C ATOM 733 CE1 PHE A 47 -14.371 -5.789 2.474 1.00 0.00 C ATOM 734 CE2 PHE A 47 -12.315 -5.850 1.191 1.00 0.00 C ATOM 735 CZ PHE A 47 -13.074 -5.323 2.245 1.00 0.00 C ATOM 0 H PHE A 47 -13.450 -10.200 0.616 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.988 -8.960 1.412 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.962 -8.851 -0.878 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.458 -7.944 -0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.917 -7.139 1.830 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -12.272 -7.253 -0.443 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -14.954 -5.383 3.287 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -11.313 -5.489 1.014 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.656 -4.556 2.880 1.00 0.00 H new ATOM 745 N LYS A 48 -16.072 -11.374 -0.702 1.00 0.00 N ATOM 746 CA LYS A 48 -17.010 -12.215 -1.500 1.00 0.00 C ATOM 747 C LYS A 48 -17.342 -11.528 -2.820 1.00 0.00 C ATOM 748 O LYS A 48 -18.472 -11.522 -3.268 1.00 0.00 O ATOM 749 CB LYS A 48 -18.262 -12.366 -0.634 1.00 0.00 C ATOM 750 CG LYS A 48 -18.421 -13.830 -0.218 1.00 0.00 C ATOM 751 CD LYS A 48 -19.787 -14.347 -0.673 1.00 0.00 C ATOM 752 CE LYS A 48 -19.816 -14.441 -2.201 1.00 0.00 C ATOM 753 NZ LYS A 48 -19.598 -15.883 -2.502 1.00 0.00 N ATOM 0 H LYS A 48 -15.140 -11.769 -0.576 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.579 -13.185 -1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -18.185 -11.732 0.249 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -19.142 -12.036 -1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.627 -14.432 -0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -18.327 -13.923 0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -19.982 -15.326 -0.234 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -20.575 -13.679 -0.324 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -20.769 -14.094 -2.600 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.039 -13.822 -2.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -19.605 -16.028 -3.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -18.680 -16.183 -2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -20.357 -16.447 -2.068 1.00 0.00 H new ATOM 767 N VAL A 49 -16.359 -10.955 -3.447 1.00 0.00 N ATOM 768 CA VAL A 49 -16.592 -10.270 -4.742 1.00 0.00 C ATOM 769 C VAL A 49 -15.696 -10.878 -5.822 1.00 0.00 C ATOM 770 O VAL A 49 -15.132 -11.941 -5.655 1.00 0.00 O ATOM 771 CB VAL A 49 -16.244 -8.797 -4.473 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.853 -8.440 -5.015 1.00 0.00 C ATOM 773 CG2 VAL A 49 -17.290 -7.917 -5.139 1.00 0.00 C ATOM 0 H VAL A 49 -15.395 -10.932 -3.114 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.615 -10.374 -5.103 1.00 0.00 H new ATOM 0 HB VAL A 49 -16.235 -8.633 -3.395 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.640 -7.391 -4.807 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.103 -9.065 -4.532 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.828 -8.609 -6.091 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -17.054 -6.869 -4.955 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.294 -8.105 -6.213 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -18.273 -8.145 -4.727 1.00 0.00 H new ATOM 783 N LYS A 50 -15.553 -10.201 -6.922 1.00 0.00 N ATOM 784 CA LYS A 50 -14.681 -10.728 -8.008 1.00 0.00 C ATOM 785 C LYS A 50 -13.539 -9.751 -8.287 1.00 0.00 C ATOM 786 O LYS A 50 -13.735 -8.703 -8.868 1.00 0.00 O ATOM 787 CB LYS A 50 -15.585 -10.858 -9.233 1.00 0.00 C ATOM 788 CG LYS A 50 -15.227 -12.141 -9.983 1.00 0.00 C ATOM 789 CD LYS A 50 -14.404 -11.793 -11.225 1.00 0.00 C ATOM 790 CE LYS A 50 -15.166 -12.222 -12.481 1.00 0.00 C ATOM 791 NZ LYS A 50 -14.669 -13.593 -12.782 1.00 0.00 N ATOM 0 H LYS A 50 -16.001 -9.306 -7.119 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.229 -11.683 -7.740 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.631 -10.880 -8.928 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.461 -9.994 -9.885 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.661 -12.809 -9.334 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.134 -12.671 -10.272 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.207 -10.721 -11.255 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.437 -12.294 -11.185 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -16.242 -12.221 -12.310 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.975 -11.542 -13.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.146 -13.956 -13.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.643 -13.562 -12.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.871 -14.220 -11.977 1.00 0.00 H new ATOM 805 N VAL A 51 -12.347 -10.085 -7.882 1.00 0.00 N ATOM 806 CA VAL A 51 -11.199 -9.173 -8.135 1.00 0.00 C ATOM 807 C VAL A 51 -10.743 -9.316 -9.586 1.00 0.00 C ATOM 808 O VAL A 51 -10.361 -10.383 -10.024 1.00 0.00 O ATOM 809 CB VAL A 51 -10.104 -9.639 -7.182 1.00 0.00 C ATOM 810 CG1 VAL A 51 -8.819 -8.856 -7.462 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.546 -9.391 -5.737 1.00 0.00 C ATOM 0 H VAL A 51 -12.118 -10.948 -7.388 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.453 -8.125 -7.975 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.922 -10.704 -7.329 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.035 -9.188 -6.781 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.504 -9.030 -8.491 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.002 -7.792 -7.313 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.764 -9.724 -5.055 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.727 -8.326 -5.590 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.462 -9.946 -5.536 1.00 0.00 H new ATOM 821 N VAL A 52 -10.792 -8.255 -10.340 1.00 0.00 N ATOM 822 CA VAL A 52 -10.372 -8.344 -11.765 1.00 0.00 C ATOM 823 C VAL A 52 -8.990 -7.716 -11.962 1.00 0.00 C ATOM 824 O VAL A 52 -8.500 -7.614 -13.069 1.00 0.00 O ATOM 825 CB VAL A 52 -11.441 -7.571 -12.538 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.392 -6.092 -12.168 1.00 0.00 C ATOM 827 CG2 VAL A 52 -11.184 -7.707 -14.029 1.00 0.00 C ATOM 0 H VAL A 52 -11.103 -7.333 -10.033 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.289 -9.376 -12.107 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.420 -7.978 -12.284 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.158 -5.552 -12.725 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.573 -5.978 -11.099 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.411 -5.687 -12.415 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -11.946 -7.156 -14.581 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.200 -7.303 -14.267 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.222 -8.759 -14.310 1.00 0.00 H new ATOM 837 N LYS A 53 -8.353 -7.303 -10.899 1.00 0.00 N ATOM 838 CA LYS A 53 -6.997 -6.688 -11.032 1.00 0.00 C ATOM 839 C LYS A 53 -6.583 -6.015 -9.722 1.00 0.00 C ATOM 840 O LYS A 53 -7.224 -5.093 -9.259 1.00 0.00 O ATOM 841 CB LYS A 53 -7.135 -5.644 -12.141 1.00 0.00 C ATOM 842 CG LYS A 53 -6.394 -6.124 -13.390 1.00 0.00 C ATOM 843 CD LYS A 53 -5.555 -4.977 -13.958 1.00 0.00 C ATOM 844 CE LYS A 53 -4.185 -5.508 -14.384 1.00 0.00 C ATOM 845 NZ LYS A 53 -3.321 -4.298 -14.486 1.00 0.00 N ATOM 0 H LYS A 53 -8.711 -7.364 -9.946 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.236 -7.433 -11.263 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.188 -5.479 -12.371 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.728 -4.689 -11.808 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.753 -6.970 -13.143 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.107 -6.472 -14.137 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.064 -4.528 -14.811 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.436 -4.194 -13.209 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.791 -6.215 -13.654 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.244 -6.033 -15.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.362 -4.579 -14.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.718 -3.647 -15.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.279 -3.823 -13.562 1.00 0.00 H new ATOM 859 N VAL A 54 -5.509 -6.460 -9.127 1.00 0.00 N ATOM 860 CA VAL A 54 -5.056 -5.830 -7.854 1.00 0.00 C ATOM 861 C VAL A 54 -3.733 -5.087 -8.082 1.00 0.00 C ATOM 862 O VAL A 54 -2.738 -5.680 -8.447 1.00 0.00 O ATOM 863 CB VAL A 54 -4.888 -6.994 -6.850 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.463 -7.033 -6.284 1.00 0.00 C ATOM 865 CG2 VAL A 54 -5.858 -6.798 -5.686 1.00 0.00 C ATOM 0 H VAL A 54 -4.929 -7.228 -9.465 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.766 -5.094 -7.478 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.090 -7.927 -7.375 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.373 -7.861 -5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.752 -7.170 -7.098 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.250 -6.096 -5.770 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.743 -7.616 -4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.643 -5.852 -5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.881 -6.785 -6.063 1.00 0.00 H new ATOM 875 N ASN A 55 -3.707 -3.807 -7.849 1.00 0.00 N ATOM 876 CA ASN A 55 -2.437 -3.056 -8.028 1.00 0.00 C ATOM 877 C ASN A 55 -1.884 -2.681 -6.659 1.00 0.00 C ATOM 878 O ASN A 55 -2.482 -1.931 -5.921 1.00 0.00 O ATOM 879 CB ASN A 55 -2.809 -1.808 -8.831 1.00 0.00 C ATOM 880 CG ASN A 55 -1.976 -1.758 -10.113 1.00 0.00 C ATOM 881 OD1 ASN A 55 -1.116 -0.913 -10.260 1.00 0.00 O ATOM 882 ND2 ASN A 55 -2.195 -2.637 -11.053 1.00 0.00 N ATOM 0 H ASN A 55 -4.506 -3.251 -7.544 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.671 -3.636 -8.543 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.871 -1.823 -9.075 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.632 -0.913 -8.235 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.644 -2.614 -11.911 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.917 -3.347 -10.929 1.00 0.00 H new ATOM 889 N THR A 56 -0.750 -3.210 -6.309 1.00 0.00 N ATOM 890 CA THR A 56 -0.175 -2.901 -4.975 1.00 0.00 C ATOM 891 C THR A 56 1.156 -2.167 -5.134 1.00 0.00 C ATOM 892 O THR A 56 1.959 -2.489 -5.988 1.00 0.00 O ATOM 893 CB THR A 56 0.024 -4.267 -4.301 1.00 0.00 C ATOM 894 OG1 THR A 56 1.268 -4.818 -4.711 1.00 0.00 O ATOM 895 CG2 THR A 56 -1.110 -5.220 -4.697 1.00 0.00 C ATOM 0 H THR A 56 -0.197 -3.842 -6.887 1.00 0.00 H new ATOM 0 HA THR A 56 -0.820 -2.252 -4.382 1.00 0.00 H new ATOM 0 HB THR A 56 0.017 -4.135 -3.219 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.205 -5.796 -4.722 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.959 -6.185 -4.214 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.065 -4.801 -4.380 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.113 -5.352 -5.779 1.00 0.00 H new ATOM 903 N LEU A 57 1.391 -1.176 -4.322 1.00 0.00 N ATOM 904 CA LEU A 57 2.666 -0.409 -4.427 1.00 0.00 C ATOM 905 C LEU A 57 3.249 -0.157 -3.035 1.00 0.00 C ATOM 906 O LEU A 57 2.530 0.060 -2.080 1.00 0.00 O ATOM 907 CB LEU A 57 2.283 0.914 -5.097 1.00 0.00 C ATOM 908 CG LEU A 57 0.963 1.427 -4.519 1.00 0.00 C ATOM 909 CD1 LEU A 57 0.999 2.954 -4.439 1.00 0.00 C ATOM 910 CD2 LEU A 57 -0.192 0.992 -5.424 1.00 0.00 C ATOM 0 H LEU A 57 0.755 -0.862 -3.588 1.00 0.00 H new ATOM 0 HA LEU A 57 3.424 -0.948 -4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.070 1.652 -4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.188 0.772 -6.174 1.00 0.00 H new ATOM 0 HG LEU A 57 0.819 1.014 -3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.058 3.319 -4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.822 3.265 -3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.143 3.367 -5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.133 1.357 -5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.047 1.405 -6.422 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.219 -0.096 -5.482 1.00 0.00 H new ATOM 922 N HIS A 58 4.548 -0.183 -2.913 1.00 0.00 N ATOM 923 CA HIS A 58 5.176 0.055 -1.583 1.00 0.00 C ATOM 924 C HIS A 58 5.144 1.548 -1.243 1.00 0.00 C ATOM 925 O HIS A 58 5.765 2.359 -1.902 1.00 0.00 O ATOM 926 CB HIS A 58 6.617 -0.431 -1.731 1.00 0.00 C ATOM 927 CG HIS A 58 7.066 -1.064 -0.442 1.00 0.00 C ATOM 928 ND1 HIS A 58 8.160 -1.911 -0.375 1.00 0.00 N ATOM 929 CD2 HIS A 58 6.578 -0.978 0.838 1.00 0.00 C ATOM 930 CE1 HIS A 58 8.295 -2.298 0.907 1.00 0.00 C ATOM 931 NE2 HIS A 58 7.355 -1.758 1.689 1.00 0.00 N ATOM 0 H HIS A 58 5.201 -0.359 -3.677 1.00 0.00 H new ATOM 0 HA HIS A 58 4.652 -0.465 -0.781 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.688 -1.151 -2.546 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.270 0.404 -1.986 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.721 -0.394 1.139 1.00 0.00 H new ATOM 0 HE1 HIS A 58 9.068 -2.964 1.261 1.00 0.00 H new ATOM 0 HE2 HIS A 58 7.233 -1.889 2.693 1.00 0.00 H new ATOM 939 N VAL A 59 4.424 1.915 -0.219 1.00 0.00 N ATOM 940 CA VAL A 59 4.349 3.356 0.169 1.00 0.00 C ATOM 941 C VAL A 59 5.104 3.582 1.481 1.00 0.00 C ATOM 942 O VAL A 59 4.793 2.992 2.497 1.00 0.00 O ATOM 943 CB VAL A 59 2.855 3.692 0.356 1.00 0.00 C ATOM 944 CG1 VAL A 59 2.476 4.835 -0.587 1.00 0.00 C ATOM 945 CG2 VAL A 59 1.966 2.479 0.046 1.00 0.00 C ATOM 0 H VAL A 59 3.883 1.280 0.368 1.00 0.00 H new ATOM 0 HA VAL A 59 4.800 3.991 -0.593 1.00 0.00 H new ATOM 0 HB VAL A 59 2.698 3.980 1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.421 5.077 -0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.080 5.712 -0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.656 4.531 -1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.920 2.749 0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.124 2.167 -0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.223 1.659 0.717 1.00 0.00 H new ATOM 1245 N ARG A 76 5.515 -0.192 4.276 1.00 0.00 N ATOM 1246 CA ARG A 76 4.039 -0.059 4.119 1.00 0.00 C ATOM 1247 C ARG A 76 3.660 -0.086 2.635 1.00 0.00 C ATOM 1248 O ARG A 76 3.977 0.815 1.888 1.00 0.00 O ATOM 1249 CB ARG A 76 3.702 1.298 4.740 1.00 0.00 C ATOM 1250 CG ARG A 76 2.260 1.683 4.402 1.00 0.00 C ATOM 1251 CD ARG A 76 2.229 3.122 3.881 1.00 0.00 C ATOM 1252 NE ARG A 76 1.231 3.819 4.740 1.00 0.00 N ATOM 1253 CZ ARG A 76 1.264 5.119 4.852 1.00 0.00 C ATOM 1254 NH1 ARG A 76 1.475 5.860 3.800 1.00 0.00 N ATOM 1255 NH2 ARG A 76 1.088 5.677 6.019 1.00 0.00 N ATOM 0 HA ARG A 76 3.494 -0.873 4.596 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.832 1.255 5.821 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.388 2.059 4.367 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.857 1.004 3.651 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.630 1.591 5.287 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.210 3.590 3.956 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.939 3.156 2.831 1.00 0.00 H new ATOM 0 HE ARG A 76 0.523 3.281 5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.614 5.424 2.889 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.501 6.876 3.889 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.925 5.097 6.842 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.114 6.693 6.108 1.00 0.00 H new ATOM 1269 N LYS A 77 2.980 -1.115 2.208 1.00 0.00 N ATOM 1270 CA LYS A 77 2.575 -1.204 0.774 1.00 0.00 C ATOM 1271 C LYS A 77 1.046 -1.212 0.669 1.00 0.00 C ATOM 1272 O LYS A 77 0.369 -1.897 1.410 1.00 0.00 O ATOM 1273 CB LYS A 77 3.169 -2.528 0.283 1.00 0.00 C ATOM 1274 CG LYS A 77 2.435 -2.995 -0.976 1.00 0.00 C ATOM 1275 CD LYS A 77 2.936 -4.387 -1.364 1.00 0.00 C ATOM 1276 CE LYS A 77 3.042 -4.489 -2.886 1.00 0.00 C ATOM 1277 NZ LYS A 77 4.498 -4.378 -3.177 1.00 0.00 N ATOM 0 H LYS A 77 2.687 -1.899 2.790 1.00 0.00 H new ATOM 0 HA LYS A 77 2.927 -0.361 0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.231 -2.403 0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.087 -3.285 1.063 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.360 -3.019 -0.797 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.606 -2.293 -1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.908 -4.574 -0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.254 -5.148 -0.985 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.638 -5.434 -3.248 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.480 -3.694 -3.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.652 -4.439 -4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.853 -3.465 -2.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.007 -5.152 -2.704 1.00 0.00 H new ATOM 1291 N LYS A 78 0.493 -0.446 -0.234 1.00 0.00 N ATOM 1292 CA LYS A 78 -0.993 -0.409 -0.363 1.00 0.00 C ATOM 1293 C LYS A 78 -1.457 -1.250 -1.559 1.00 0.00 C ATOM 1294 O LYS A 78 -0.749 -1.399 -2.533 1.00 0.00 O ATOM 1295 CB LYS A 78 -1.337 1.066 -0.574 1.00 0.00 C ATOM 1296 CG LYS A 78 -0.798 1.531 -1.928 1.00 0.00 C ATOM 1297 CD LYS A 78 -1.557 2.780 -2.380 1.00 0.00 C ATOM 1298 CE LYS A 78 -1.218 3.949 -1.451 1.00 0.00 C ATOM 1299 NZ LYS A 78 -1.086 5.127 -2.352 1.00 0.00 N ATOM 0 H LYS A 78 1.003 0.152 -0.884 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.488 -0.823 0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.417 1.207 -0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.907 1.668 0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.267 1.748 -1.852 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.910 0.738 -2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.290 3.029 -3.407 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.630 2.591 -2.367 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.001 4.104 -0.709 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.293 3.764 -0.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.176 6.001 -1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.156 5.106 -2.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.834 5.098 -3.074 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.642 -1.810 -1.489 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.139 -2.650 -2.624 1.00 0.00 C ATOM 1315 C ALA A 79 -4.392 -2.062 -3.263 1.00 0.00 C ATOM 1316 O ALA A 79 -5.330 -1.700 -2.590 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.505 -3.987 -2.008 1.00 0.00 C ATOM 0 H ALA A 79 -3.282 -1.722 -0.700 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.377 -2.718 -3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.878 -4.655 -2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.623 -4.427 -1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.278 -3.841 -1.253 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.430 -2.012 -4.561 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.639 -1.490 -5.245 1.00 0.00 C ATOM 1325 C ILE A 80 -6.335 -2.643 -5.957 1.00 0.00 C ATOM 1326 O ILE A 80 -5.830 -3.187 -6.913 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.125 -0.459 -6.244 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.800 0.838 -5.504 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.202 -0.184 -7.293 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -3.804 0.556 -4.380 1.00 0.00 C ATOM 0 H ILE A 80 -3.675 -2.310 -5.179 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.359 -1.042 -4.560 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.229 -0.840 -6.734 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.383 1.568 -6.197 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.712 1.272 -5.094 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.835 0.553 -8.007 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.444 -1.108 -7.817 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.097 0.200 -6.804 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.575 1.484 -3.855 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.237 -0.159 -3.681 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.888 0.142 -4.801 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.481 -3.031 -5.487 1.00 0.00 N ATOM 1343 CA VAL A 81 -8.196 -4.174 -6.127 1.00 0.00 C ATOM 1344 C VAL A 81 -9.375 -3.683 -6.963 1.00 0.00 C ATOM 1345 O VAL A 81 -10.226 -2.960 -6.487 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.701 -5.038 -4.965 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -8.975 -6.457 -5.466 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.647 -5.087 -3.851 1.00 0.00 C ATOM 0 H VAL A 81 -7.957 -2.611 -4.689 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.540 -4.726 -6.800 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.620 -4.603 -4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.334 -7.071 -4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.731 -6.426 -6.251 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.056 -6.886 -5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -8.014 -5.703 -3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.724 -5.516 -4.242 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.453 -4.077 -3.489 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.451 -4.088 -8.202 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.591 -3.659 -9.041 1.00 0.00 C ATOM 1360 C GLN A 82 -11.482 -4.853 -9.298 1.00 0.00 C ATOM 1361 O GLN A 82 -11.009 -5.964 -9.432 1.00 0.00 O ATOM 1362 CB GLN A 82 -9.972 -3.183 -10.350 1.00 0.00 C ATOM 1363 CG GLN A 82 -11.076 -2.909 -11.374 1.00 0.00 C ATOM 1364 CD GLN A 82 -11.423 -1.419 -11.364 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -10.640 -0.599 -11.803 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -12.570 -1.032 -10.878 1.00 0.00 N ATOM 0 H GLN A 82 -8.773 -4.695 -8.662 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.189 -2.878 -8.571 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.388 -2.278 -10.179 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.286 -3.937 -10.734 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.747 -3.210 -12.369 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.960 -3.501 -11.138 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -13.226 -1.721 -10.510 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.811 -0.041 -10.866 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.756 -4.655 -9.389 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.622 -5.818 -9.667 1.00 0.00 C ATOM 1377 C VAL A 83 -14.251 -5.669 -11.044 1.00 0.00 C ATOM 1378 O VAL A 83 -14.387 -4.580 -11.566 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.689 -5.860 -8.574 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -14.070 -5.481 -7.229 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.817 -4.883 -8.911 1.00 0.00 C ATOM 0 H VAL A 83 -13.229 -3.757 -9.286 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.053 -6.748 -9.665 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.093 -6.870 -8.513 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.836 -5.513 -6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.275 -6.185 -6.983 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.657 -4.474 -7.289 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.574 -4.918 -8.128 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.414 -3.873 -8.982 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.267 -5.162 -9.864 1.00 0.00 H new ATOM 1391 N ALA A 84 -14.627 -6.754 -11.632 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.243 -6.685 -12.978 1.00 0.00 C ATOM 1393 C ALA A 84 -16.456 -5.756 -12.956 1.00 0.00 C ATOM 1394 O ALA A 84 -16.798 -5.200 -11.930 1.00 0.00 O ATOM 1395 CB ALA A 84 -15.660 -8.115 -13.280 1.00 0.00 C ATOM 0 H ALA A 84 -14.536 -7.692 -11.241 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.563 -6.290 -13.733 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.128 -8.158 -14.263 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.782 -8.760 -13.268 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.370 -8.454 -12.525 1.00 0.00 H new ATOM 1401 N PRO A 85 -17.062 -5.620 -14.097 1.00 0.00 N ATOM 1402 CA PRO A 85 -18.252 -4.749 -14.234 1.00 0.00 C ATOM 1403 C PRO A 85 -19.466 -5.388 -13.557 1.00 0.00 C ATOM 1404 O PRO A 85 -19.667 -6.584 -13.617 1.00 0.00 O ATOM 1405 CB PRO A 85 -18.451 -4.654 -15.744 1.00 0.00 C ATOM 1406 CG PRO A 85 -17.810 -5.874 -16.300 1.00 0.00 C ATOM 1407 CD PRO A 85 -16.697 -6.265 -15.359 1.00 0.00 C ATOM 0 HA PRO A 85 -18.127 -3.773 -13.764 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -19.510 -4.614 -16.000 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.992 -3.750 -16.145 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.536 -6.681 -16.393 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -17.419 -5.681 -17.299 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -16.628 -7.347 -15.249 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -15.728 -5.919 -15.720 1.00 0.00 H new ATOM 1415 N GLY A 86 -20.277 -4.594 -12.915 1.00 0.00 N ATOM 1416 CA GLY A 86 -21.481 -5.146 -12.232 1.00 0.00 C ATOM 1417 C GLY A 86 -21.140 -5.489 -10.780 1.00 0.00 C ATOM 1418 O GLY A 86 -22.012 -5.618 -9.943 1.00 0.00 O ATOM 0 H GLY A 86 -20.158 -3.584 -12.834 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -22.293 -4.420 -12.263 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -21.830 -6.037 -12.754 1.00 0.00 H new ATOM 1422 N GLN A 87 -19.881 -5.642 -10.475 1.00 0.00 N ATOM 1423 CA GLN A 87 -19.488 -5.980 -9.076 1.00 0.00 C ATOM 1424 C GLN A 87 -19.177 -4.711 -8.281 1.00 0.00 C ATOM 1425 O GLN A 87 -19.064 -3.634 -8.829 1.00 0.00 O ATOM 1426 CB GLN A 87 -18.234 -6.838 -9.216 1.00 0.00 C ATOM 1427 CG GLN A 87 -18.629 -8.239 -9.674 1.00 0.00 C ATOM 1428 CD GLN A 87 -17.451 -8.891 -10.397 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -16.410 -8.283 -10.552 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -17.571 -10.108 -10.851 1.00 0.00 N ATOM 0 H GLN A 87 -19.107 -5.548 -11.133 1.00 0.00 H new ATOM 0 HA GLN A 87 -20.285 -6.497 -8.542 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -17.550 -6.387 -9.935 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -17.707 -6.890 -8.263 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.923 -8.844 -8.816 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.492 -8.186 -10.337 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -18.445 -10.617 -10.720 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -16.791 -10.550 -11.337 1.00 0.00 H new ATOM 1439 N LYS A 88 -19.035 -4.835 -6.989 1.00 0.00 N ATOM 1440 CA LYS A 88 -18.727 -3.638 -6.152 1.00 0.00 C ATOM 1441 C LYS A 88 -18.617 -4.034 -4.677 1.00 0.00 C ATOM 1442 O LYS A 88 -19.538 -4.580 -4.101 1.00 0.00 O ATOM 1443 CB LYS A 88 -19.910 -2.691 -6.366 1.00 0.00 C ATOM 1444 CG LYS A 88 -21.213 -3.419 -6.032 1.00 0.00 C ATOM 1445 CD LYS A 88 -22.329 -2.920 -6.954 1.00 0.00 C ATOM 1446 CE LYS A 88 -23.690 -3.236 -6.329 1.00 0.00 C ATOM 1447 NZ LYS A 88 -24.140 -4.486 -7.002 1.00 0.00 N ATOM 0 H LYS A 88 -19.119 -5.713 -6.476 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.779 -3.176 -6.427 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -19.802 -1.809 -5.735 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.929 -2.344 -7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -21.082 -4.494 -6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -21.482 -3.245 -4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -22.231 -1.846 -7.113 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -22.247 -3.395 -7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -23.607 -3.376 -5.251 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -24.398 -2.423 -6.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -25.068 -4.768 -6.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -24.216 -4.321 -8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -23.450 -5.244 -6.824 1.00 0.00 H new ATOM 1461 N ILE A 89 -17.499 -3.760 -4.057 1.00 0.00 N ATOM 1462 CA ILE A 89 -17.339 -4.119 -2.617 1.00 0.00 C ATOM 1463 C ILE A 89 -17.948 -3.024 -1.734 1.00 0.00 C ATOM 1464 O ILE A 89 -17.407 -1.944 -1.601 1.00 0.00 O ATOM 1465 CB ILE A 89 -15.826 -4.224 -2.398 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -15.309 -5.519 -3.033 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -15.523 -4.238 -0.899 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -13.830 -5.709 -2.686 1.00 0.00 C ATOM 0 H ILE A 89 -16.692 -3.305 -4.484 1.00 0.00 H new ATOM 0 HA ILE A 89 -17.846 -5.049 -2.359 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.334 -3.368 -2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.889 -6.369 -2.673 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.437 -5.481 -4.115 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.446 -4.313 -0.746 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -15.891 -3.318 -0.445 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -16.015 -5.093 -0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -13.465 -6.631 -3.139 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.255 -4.865 -3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.715 -5.766 -1.604 1.00 0.00 H new ATOM 1480 N GLU A 90 -19.078 -3.296 -1.139 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.743 -2.278 -0.272 1.00 0.00 C ATOM 1482 C GLU A 90 -18.854 -1.910 0.922 1.00 0.00 C ATOM 1483 O GLU A 90 -19.098 -0.940 1.610 1.00 0.00 O ATOM 1484 CB GLU A 90 -21.030 -2.950 0.208 1.00 0.00 C ATOM 1485 CG GLU A 90 -20.706 -4.337 0.766 1.00 0.00 C ATOM 1486 CD GLU A 90 -21.279 -4.467 2.179 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -22.273 -3.816 2.455 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -20.714 -5.214 2.960 1.00 0.00 O ATOM 0 H GLU A 90 -19.573 -4.185 -1.216 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.936 -1.350 -0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -21.506 -2.340 0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -21.738 -3.035 -0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -21.126 -5.108 0.120 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -19.627 -4.490 0.784 1.00 0.00 H new ATOM 1495 N ALA A 91 -17.836 -2.682 1.183 1.00 0.00 N ATOM 1496 CA ALA A 91 -16.948 -2.377 2.344 1.00 0.00 C ATOM 1497 C ALA A 91 -16.404 -0.947 2.252 1.00 0.00 C ATOM 1498 O ALA A 91 -16.211 -0.285 3.252 1.00 0.00 O ATOM 1499 CB ALA A 91 -15.809 -3.390 2.247 1.00 0.00 C ATOM 0 H ALA A 91 -17.579 -3.510 0.645 1.00 0.00 H new ATOM 0 HA ALA A 91 -17.481 -2.446 3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -15.110 -3.232 3.068 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -16.214 -4.400 2.305 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -15.288 -3.262 1.298 1.00 0.00 H new ATOM 1505 N LEU A 92 -16.155 -0.462 1.066 1.00 0.00 N ATOM 1506 CA LEU A 92 -15.626 0.931 0.932 1.00 0.00 C ATOM 1507 C LEU A 92 -16.731 1.851 0.422 1.00 0.00 C ATOM 1508 O LEU A 92 -16.695 3.051 0.616 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.483 0.880 -0.097 1.00 0.00 C ATOM 1510 CG LEU A 92 -13.918 -0.536 -0.209 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -12.733 -0.538 -1.177 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -13.452 -1.006 1.170 1.00 0.00 C ATOM 0 H LEU A 92 -16.293 -0.963 0.188 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.274 1.310 1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.848 1.209 -1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.692 1.570 0.196 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.691 -1.209 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.330 -1.548 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.065 -0.201 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.959 0.133 -0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -13.049 -2.016 1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.679 -0.334 1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.296 -1.004 1.859 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.712 1.300 -0.233 1.00 0.00 N ATOM 1525 CA GLU A 93 -18.814 2.146 -0.760 1.00 0.00 C ATOM 1526 C GLU A 93 -19.610 2.749 0.400 1.00 0.00 C ATOM 1527 O GLU A 93 -20.046 3.882 0.345 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.688 1.202 -1.582 1.00 0.00 C ATOM 1529 CG GLU A 93 -18.828 0.497 -2.633 1.00 0.00 C ATOM 1530 CD GLU A 93 -18.881 1.283 -3.944 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -19.977 1.589 -4.385 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -17.824 1.567 -4.484 1.00 0.00 O ATOM 0 H GLU A 93 -17.798 0.302 -0.426 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.446 2.977 -1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.161 0.467 -0.931 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.489 1.760 -2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -17.798 0.420 -2.284 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.188 -0.520 -2.791 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.802 1.999 1.450 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.565 2.526 2.616 1.00 0.00 C ATOM 1541 C GLY A 94 -19.643 3.390 3.478 1.00 0.00 C ATOM 1542 O GLY A 94 -20.079 4.057 4.395 1.00 0.00 O ATOM 0 H GLY A 94 -19.463 1.042 1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -21.416 3.114 2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -20.965 1.701 3.206 1.00 0.00 H new ATOM 1546 N LEU A 95 -18.370 3.384 3.191 1.00 0.00 N ATOM 1547 CA LEU A 95 -17.419 4.207 3.993 1.00 0.00 C ATOM 1548 C LEU A 95 -17.443 5.660 3.509 1.00 0.00 C ATOM 1549 O LEU A 95 -16.633 6.471 3.912 1.00 0.00 O ATOM 1550 CB LEU A 95 -16.046 3.578 3.744 1.00 0.00 C ATOM 1551 CG LEU A 95 -15.714 2.596 4.871 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -16.924 1.704 5.151 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -14.527 1.724 4.452 1.00 0.00 C ATOM 0 H LEU A 95 -17.947 2.845 2.436 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.673 4.222 5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -16.041 3.060 2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -15.284 4.355 3.690 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.460 3.154 5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -16.684 1.007 5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -17.771 2.322 5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -17.181 1.146 4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -14.289 1.024 5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -14.784 1.169 3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.662 2.357 4.255 1.00 0.00 H new ATOM 1565 N ILE A 96 -18.366 5.993 2.648 1.00 0.00 N ATOM 1566 CA ILE A 96 -18.442 7.393 2.139 1.00 0.00 C ATOM 1567 C ILE A 96 -19.294 8.252 3.079 1.00 0.00 C ATOM 1568 O ILE A 96 -20.125 7.689 3.772 1.00 0.00 O ATOM 1569 CB ILE A 96 -19.107 7.282 0.766 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -18.450 6.152 -0.032 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -18.941 8.602 0.010 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -17.009 6.537 -0.373 1.00 0.00 C ATOM 1573 OXT ILE A 96 -19.101 9.456 3.086 1.00 0.00 O ATOM 0 H ILE A 96 -19.071 5.357 2.275 1.00 0.00 H new ATOM 0 HA ILE A 96 -17.461 7.863 2.079 1.00 0.00 H new ATOM 0 HB ILE A 96 -20.168 7.067 0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -18.463 5.229 0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -19.013 5.963 -0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -19.415 8.523 -0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -19.410 9.407 0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -17.880 8.818 -0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -16.542 5.732 -0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -17.008 7.450 -0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -16.449 6.704 0.547 1.00 0.00 H new