USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 742 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 60 ASN :FLIP amide:sc= -0.0643 F(o=-1.9,f=-1.4) USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= -1.29 USER MOD Set 2.1: A 37 SER OG : rot 180:sc= -0.0202 USER MOD Set 2.2: A 69 HIS : no HD1:sc= -3.37! X(o=-2.9!,f=-2.5) USER MOD Set 2.3: A 87 TYR OH : rot -68:sc= 0.528 USER MOD Set 3.1: A 64 ASN :FLIP amide:sc= -0.331 F(o=-2.6,f=-0.62) USER MOD Set 3.2: A 68 THR OG1 : rot -78:sc= -0.291 USER MOD Set 3.3: A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 135:sc= -2.12! (180deg=-3.25!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -4.96! C(o=-5!,f=-5.5!) USER MOD Single : A 32 SER OG : rot 30:sc= 0.155 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 6:sc= 0.0874 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0336 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.462 K(o=-0.46,f=-2.3!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.986 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -128:sc= -0.0185 (180deg=-1) USER MOD Single : A 95 SER OG : rot -149:sc= -0.886 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -35:sc= -0.421 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N VAL A 9 1.849 20.345 4.554 1.00 0.00 N ATOM 83 CA VAL A 9 1.749 18.908 4.334 1.00 0.00 C ATOM 84 C VAL A 9 0.403 18.371 4.806 1.00 0.00 C ATOM 85 O VAL A 9 0.012 18.569 5.956 1.00 0.00 O ATOM 86 CB VAL A 9 2.875 18.149 5.061 1.00 0.00 C ATOM 87 CG1 VAL A 9 2.657 16.647 4.963 1.00 0.00 C ATOM 88 CG2 VAL A 9 4.232 18.537 4.493 1.00 0.00 C ATOM 0 HA VAL A 9 1.845 18.746 3.260 1.00 0.00 H new ATOM 0 HB VAL A 9 2.855 18.427 6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.462 16.128 5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.703 16.387 5.421 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.649 16.348 3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.016 17.991 5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.266 18.290 3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.387 19.608 4.621 1.00 0.00 H new ATOM 98 N ASP A 10 -0.304 17.691 3.910 1.00 0.00 N ATOM 99 CA ASP A 10 -1.608 17.124 4.234 1.00 0.00 C ATOM 100 C ASP A 10 -1.644 15.631 3.921 1.00 0.00 C ATOM 101 O ASP A 10 -1.848 15.217 2.780 1.00 0.00 O ATOM 102 CB ASP A 10 -2.710 17.847 3.460 1.00 0.00 C ATOM 103 CG ASP A 10 -3.154 19.126 4.141 1.00 0.00 C ATOM 104 OD1 ASP A 10 -3.331 19.108 5.378 1.00 0.00 O ATOM 105 OD2 ASP A 10 -3.322 20.145 3.440 1.00 0.00 O ATOM 0 H ASP A 10 0.004 17.519 2.953 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.779 17.257 5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.353 18.079 2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.567 17.183 3.348 1.00 0.00 H new ATOM 110 N PRO A 11 -1.440 14.803 4.957 1.00 0.00 N ATOM 111 CA PRO A 11 -1.444 13.344 4.817 1.00 0.00 C ATOM 112 C PRO A 11 -2.836 12.794 4.525 1.00 0.00 C ATOM 113 O PRO A 11 -3.012 11.589 4.346 1.00 0.00 O ATOM 114 CB PRO A 11 -0.951 12.856 6.181 1.00 0.00 C ATOM 115 CG PRO A 11 -1.308 13.951 7.127 1.00 0.00 C ATOM 116 CD PRO A 11 -1.189 15.229 6.344 1.00 0.00 C ATOM 0 HA PRO A 11 -0.827 13.012 3.982 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.430 11.918 6.462 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.124 12.675 6.172 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.320 13.821 7.511 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.639 13.957 7.988 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.915 15.972 6.674 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.202 15.678 6.454 1.00 0.00 H new ATOM 124 N SER A 12 -3.822 13.684 4.480 1.00 0.00 N ATOM 125 CA SER A 12 -5.199 13.287 4.213 1.00 0.00 C ATOM 126 C SER A 12 -5.580 13.584 2.766 1.00 0.00 C ATOM 127 O SER A 12 -6.757 13.572 2.406 1.00 0.00 O ATOM 128 CB SER A 12 -6.155 14.012 5.162 1.00 0.00 C ATOM 129 OG SER A 12 -6.310 15.370 4.790 1.00 0.00 O ATOM 0 H SER A 12 -3.693 14.685 4.625 1.00 0.00 H new ATOM 0 HA SER A 12 -5.279 12.213 4.379 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.126 13.516 5.154 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.775 13.952 6.182 1.00 0.00 H new ATOM 0 HG SER A 12 -6.927 15.811 5.411 1.00 0.00 H new ATOM 135 N LYS A 13 -4.573 13.849 1.939 1.00 0.00 N ATOM 136 CA LYS A 13 -4.800 14.148 0.529 1.00 0.00 C ATOM 137 C LYS A 13 -4.138 13.102 -0.362 1.00 0.00 C ATOM 138 O LYS A 13 -4.358 13.073 -1.572 1.00 0.00 O ATOM 139 CB LYS A 13 -4.260 15.539 0.189 1.00 0.00 C ATOM 140 CG LYS A 13 -4.746 16.628 1.131 1.00 0.00 C ATOM 141 CD LYS A 13 -6.015 17.284 0.614 1.00 0.00 C ATOM 142 CE LYS A 13 -7.194 16.324 0.647 1.00 0.00 C ATOM 143 NZ LYS A 13 -7.340 15.580 -0.635 1.00 0.00 N ATOM 0 H LYS A 13 -3.593 13.863 2.221 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.874 14.127 0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.171 15.512 0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.553 15.794 -0.829 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.931 16.202 2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.968 17.382 1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.243 18.162 1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.856 17.631 -0.407 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.063 15.616 1.465 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.109 16.880 0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.512 14.574 -0.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.141 15.968 -1.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.469 15.678 -1.194 1.00 0.00 H new ATOM 157 N VAL A 14 -3.325 12.242 0.246 1.00 0.00 N ATOM 158 CA VAL A 14 -2.632 11.193 -0.492 1.00 0.00 C ATOM 159 C VAL A 14 -3.557 10.012 -0.766 1.00 0.00 C ATOM 160 O VAL A 14 -4.281 9.557 0.120 1.00 0.00 O ATOM 161 CB VAL A 14 -1.392 10.693 0.273 1.00 0.00 C ATOM 162 CG1 VAL A 14 -1.729 10.452 1.736 1.00 0.00 C ATOM 163 CG2 VAL A 14 -0.843 9.430 -0.372 1.00 0.00 C ATOM 0 H VAL A 14 -3.131 12.252 1.247 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.313 11.629 -1.439 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.621 11.462 0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.841 10.099 2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.072 11.382 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.516 9.701 1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.033 9.090 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.606 8.652 -0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.561 9.641 -1.404 1.00 0.00 H new ATOM 173 N LYS A 15 -3.528 9.519 -2.000 1.00 0.00 N ATOM 174 CA LYS A 15 -4.362 8.389 -2.392 1.00 0.00 C ATOM 175 C LYS A 15 -3.523 7.293 -3.040 1.00 0.00 C ATOM 176 O LYS A 15 -2.331 7.476 -3.287 1.00 0.00 O ATOM 177 CB LYS A 15 -5.455 8.848 -3.361 1.00 0.00 C ATOM 178 CG LYS A 15 -6.693 9.391 -2.666 1.00 0.00 C ATOM 179 CD LYS A 15 -7.708 8.293 -2.397 1.00 0.00 C ATOM 180 CE LYS A 15 -8.466 7.912 -3.660 1.00 0.00 C ATOM 181 NZ LYS A 15 -9.550 6.930 -3.380 1.00 0.00 N ATOM 0 H LYS A 15 -2.936 9.885 -2.746 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.827 7.984 -1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.048 9.619 -4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.743 8.010 -3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.406 9.861 -1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.148 10.165 -3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.199 7.415 -1.998 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.413 8.626 -1.635 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.894 8.807 -4.111 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.772 7.490 -4.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.043 6.695 -4.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.139 6.066 -2.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.226 7.342 -2.706 1.00 0.00 H new ATOM 195 N ILE A 16 -4.153 6.155 -3.313 1.00 0.00 N ATOM 196 CA ILE A 16 -3.464 5.031 -3.934 1.00 0.00 C ATOM 197 C ILE A 16 -4.411 4.223 -4.814 1.00 0.00 C ATOM 198 O ILE A 16 -5.536 3.919 -4.416 1.00 0.00 O ATOM 199 CB ILE A 16 -2.842 4.099 -2.877 1.00 0.00 C ATOM 200 CG1 ILE A 16 -3.939 3.425 -2.051 1.00 0.00 C ATOM 201 CG2 ILE A 16 -1.894 4.876 -1.976 1.00 0.00 C ATOM 202 CD1 ILE A 16 -3.407 2.484 -0.992 1.00 0.00 C ATOM 0 H ILE A 16 -5.139 5.987 -3.114 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.669 5.450 -4.551 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.271 3.324 -3.389 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.545 4.193 -1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.598 2.871 -2.720 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.463 4.203 -1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.096 5.312 -2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.442 5.670 -1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.240 2.043 -0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.825 1.694 -1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.772 3.037 -0.300 1.00 0.00 H new ATOM 214 N ALA A 17 -3.949 3.877 -6.010 1.00 0.00 N ATOM 215 CA ALA A 17 -4.753 3.099 -6.945 1.00 0.00 C ATOM 216 C ALA A 17 -3.898 2.085 -7.695 1.00 0.00 C ATOM 217 O ALA A 17 -2.850 2.426 -8.243 1.00 0.00 O ATOM 218 CB ALA A 17 -5.462 4.023 -7.925 1.00 0.00 C ATOM 0 H ALA A 17 -3.021 4.123 -6.355 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.501 2.550 -6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.059 3.430 -8.618 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.113 4.704 -7.377 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.723 4.598 -8.483 1.00 0.00 H new ATOM 224 N GLY A 18 -4.350 0.835 -7.715 1.00 0.00 N ATOM 225 CA GLY A 18 -3.613 -0.211 -8.401 1.00 0.00 C ATOM 226 C GLY A 18 -4.172 -1.592 -8.122 1.00 0.00 C ATOM 227 O GLY A 18 -5.025 -1.776 -7.254 1.00 0.00 O ATOM 0 H GLY A 18 -5.214 0.528 -7.268 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.636 -0.023 -9.474 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.568 -0.176 -8.093 1.00 0.00 H new ATOM 231 N PRO A 19 -3.687 -2.593 -8.872 1.00 0.00 N ATOM 232 CA PRO A 19 -4.130 -3.981 -8.720 1.00 0.00 C ATOM 233 C PRO A 19 -3.654 -4.602 -7.411 1.00 0.00 C ATOM 234 O PRO A 19 -4.365 -5.395 -6.794 1.00 0.00 O ATOM 235 CB PRO A 19 -3.486 -4.692 -9.914 1.00 0.00 C ATOM 236 CG PRO A 19 -2.292 -3.865 -10.247 1.00 0.00 C ATOM 237 CD PRO A 19 -2.669 -2.444 -9.926 1.00 0.00 C ATOM 0 HA PRO A 19 -5.217 -4.061 -8.694 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.202 -5.713 -9.661 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.174 -4.752 -10.757 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.425 -4.179 -9.666 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.026 -3.970 -11.299 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.811 -1.869 -9.578 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.067 -1.926 -10.799 1.00 0.00 H new ATOM 245 N GLY A 20 -2.448 -4.234 -6.991 1.00 0.00 N ATOM 246 CA GLY A 20 -1.898 -4.765 -5.756 1.00 0.00 C ATOM 247 C GLY A 20 -2.852 -4.619 -4.588 1.00 0.00 C ATOM 248 O GLY A 20 -3.009 -5.541 -3.787 1.00 0.00 O ATOM 0 H GLY A 20 -1.841 -3.578 -7.483 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.655 -5.819 -5.893 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.965 -4.250 -5.526 1.00 0.00 H new ATOM 252 N LEU A 21 -3.491 -3.458 -4.489 1.00 0.00 N ATOM 253 CA LEU A 21 -4.434 -3.194 -3.408 1.00 0.00 C ATOM 254 C LEU A 21 -5.795 -3.813 -3.709 1.00 0.00 C ATOM 255 O LEU A 21 -6.604 -4.029 -2.808 1.00 0.00 O ATOM 256 CB LEU A 21 -4.582 -1.687 -3.190 1.00 0.00 C ATOM 257 CG LEU A 21 -3.282 -0.901 -3.023 1.00 0.00 C ATOM 258 CD1 LEU A 21 -3.445 0.519 -3.541 1.00 0.00 C ATOM 259 CD2 LEU A 21 -2.849 -0.893 -1.564 1.00 0.00 C ATOM 0 H LEU A 21 -3.373 -2.685 -5.144 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.042 -3.649 -2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.129 -1.270 -4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.196 -1.527 -2.304 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.505 -1.391 -3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.509 1.063 -3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.708 0.493 -4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.235 1.021 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.922 -0.329 -1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.625 -0.427 -0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.690 -1.917 -1.226 1.00 0.00 H new ATOM 271 N GLY A 22 -6.041 -4.097 -4.984 1.00 0.00 N ATOM 272 CA GLY A 22 -7.305 -4.690 -5.382 1.00 0.00 C ATOM 273 C GLY A 22 -7.621 -5.954 -4.607 1.00 0.00 C ATOM 274 O GLY A 22 -6.800 -6.432 -3.824 1.00 0.00 O ATOM 0 H GLY A 22 -5.388 -3.927 -5.749 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.106 -3.966 -5.232 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.276 -4.918 -6.447 1.00 0.00 H new ATOM 278 N SER A 23 -8.815 -6.496 -4.824 1.00 0.00 N ATOM 279 CA SER A 23 -9.241 -7.708 -4.135 1.00 0.00 C ATOM 280 C SER A 23 -8.838 -8.950 -4.923 1.00 0.00 C ATOM 281 O SER A 23 -8.873 -10.066 -4.406 1.00 0.00 O ATOM 282 CB SER A 23 -10.756 -7.694 -3.923 1.00 0.00 C ATOM 283 OG SER A 23 -11.445 -7.743 -5.160 1.00 0.00 O ATOM 0 H SER A 23 -9.505 -6.115 -5.472 1.00 0.00 H new ATOM 0 HA SER A 23 -8.746 -7.738 -3.164 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.048 -8.544 -3.307 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.042 -6.793 -3.379 1.00 0.00 H new ATOM 0 HG SER A 23 -12.411 -7.735 -4.997 1.00 0.00 H new ATOM 289 N GLY A 24 -8.454 -8.747 -6.180 1.00 0.00 N ATOM 290 CA GLY A 24 -8.050 -9.859 -7.021 1.00 0.00 C ATOM 291 C GLY A 24 -6.563 -10.140 -6.935 1.00 0.00 C ATOM 292 O GLY A 24 -5.877 -10.216 -7.955 1.00 0.00 O ATOM 0 H GLY A 24 -8.416 -7.833 -6.631 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.603 -10.752 -6.728 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.317 -9.644 -8.056 1.00 0.00 H new ATOM 296 N VAL A 25 -6.061 -10.294 -5.714 1.00 0.00 N ATOM 297 CA VAL A 25 -4.645 -10.567 -5.498 1.00 0.00 C ATOM 298 C VAL A 25 -4.405 -12.051 -5.243 1.00 0.00 C ATOM 299 O VAL A 25 -5.216 -12.721 -4.603 1.00 0.00 O ATOM 300 CB VAL A 25 -4.092 -9.758 -4.310 1.00 0.00 C ATOM 301 CG1 VAL A 25 -2.671 -10.191 -3.984 1.00 0.00 C ATOM 302 CG2 VAL A 25 -4.149 -8.268 -4.609 1.00 0.00 C ATOM 0 H VAL A 25 -6.614 -10.234 -4.859 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.123 -10.267 -6.407 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.715 -9.955 -3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.297 -9.608 -3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.664 -11.250 -3.724 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.032 -10.026 -4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.754 -7.711 -3.759 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.551 -8.051 -5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.183 -7.972 -4.788 1.00 0.00 H new ATOM 312 N ARG A 26 -3.286 -12.559 -5.749 1.00 0.00 N ATOM 313 CA ARG A 26 -2.938 -13.964 -5.577 1.00 0.00 C ATOM 314 C ARG A 26 -1.630 -14.111 -4.805 1.00 0.00 C ATOM 315 O ARG A 26 -0.744 -13.262 -4.899 1.00 0.00 O ATOM 316 CB ARG A 26 -2.820 -14.652 -6.938 1.00 0.00 C ATOM 317 CG ARG A 26 -4.098 -14.603 -7.759 1.00 0.00 C ATOM 318 CD ARG A 26 -4.161 -15.745 -8.761 1.00 0.00 C ATOM 319 NE ARG A 26 -5.499 -15.906 -9.324 1.00 0.00 N ATOM 320 CZ ARG A 26 -5.964 -15.181 -10.334 1.00 0.00 C ATOM 321 NH1 ARG A 26 -5.203 -14.249 -10.891 1.00 0.00 N ATOM 322 NH2 ARG A 26 -7.193 -15.387 -10.790 1.00 0.00 N ATOM 0 H ARG A 26 -2.605 -12.018 -6.282 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.733 -14.441 -5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.016 -14.182 -7.505 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.536 -15.693 -6.786 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.961 -14.653 -7.095 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.156 -13.651 -8.287 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.449 -15.561 -9.566 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.859 -16.672 -8.274 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.110 -16.615 -8.919 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.258 -14.088 -10.544 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.563 -13.693 -11.667 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.782 -16.103 -10.364 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.549 -14.829 -11.566 1.00 0.00 H new ATOM 336 N ALA A 27 -1.517 -15.193 -4.042 1.00 0.00 N ATOM 337 CA ALA A 27 -0.318 -15.452 -3.257 1.00 0.00 C ATOM 338 C ALA A 27 0.872 -15.765 -4.157 1.00 0.00 C ATOM 339 O ALA A 27 0.707 -16.264 -5.270 1.00 0.00 O ATOM 340 CB ALA A 27 -0.561 -16.596 -2.283 1.00 0.00 C ATOM 0 H ALA A 27 -2.242 -15.904 -3.951 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.084 -14.551 -2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.344 -16.778 -1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.377 -16.333 -1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.824 -17.497 -2.838 1.00 0.00 H new ATOM 346 N ARG A 28 2.073 -15.469 -3.668 1.00 0.00 N ATOM 347 CA ARG A 28 3.291 -15.717 -4.431 1.00 0.00 C ATOM 348 C ARG A 28 3.218 -15.051 -5.802 1.00 0.00 C ATOM 349 O ARG A 28 3.730 -15.581 -6.789 1.00 0.00 O ATOM 350 CB ARG A 28 3.518 -17.221 -4.594 1.00 0.00 C ATOM 351 CG ARG A 28 3.721 -17.952 -3.277 1.00 0.00 C ATOM 352 CD ARG A 28 4.452 -19.270 -3.478 1.00 0.00 C ATOM 353 NE ARG A 28 5.901 -19.093 -3.512 1.00 0.00 N ATOM 354 CZ ARG A 28 6.734 -19.952 -4.089 1.00 0.00 C ATOM 355 NH1 ARG A 28 6.263 -21.043 -4.679 1.00 0.00 N ATOM 356 NH2 ARG A 28 8.041 -19.722 -4.079 1.00 0.00 N ATOM 0 H ARG A 28 2.228 -15.058 -2.748 1.00 0.00 H new ATOM 0 HA ARG A 28 4.129 -15.287 -3.882 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.663 -17.655 -5.113 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.390 -17.382 -5.227 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.288 -17.321 -2.593 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.754 -18.139 -2.810 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.190 -19.956 -2.673 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.121 -19.730 -4.409 1.00 0.00 H new ATOM 0 HE ARG A 28 6.296 -18.264 -3.068 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.259 -21.224 -4.690 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.905 -21.701 -5.121 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.408 -18.884 -3.628 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.679 -20.383 -4.523 1.00 0.00 H new ATOM 370 N VAL A 29 2.581 -13.886 -5.856 1.00 0.00 N ATOM 371 CA VAL A 29 2.442 -13.148 -7.106 1.00 0.00 C ATOM 372 C VAL A 29 2.931 -11.712 -6.952 1.00 0.00 C ATOM 373 O VAL A 29 2.846 -11.127 -5.871 1.00 0.00 O ATOM 374 CB VAL A 29 0.980 -13.132 -7.589 1.00 0.00 C ATOM 375 CG1 VAL A 29 0.842 -12.283 -8.844 1.00 0.00 C ATOM 376 CG2 VAL A 29 0.485 -14.549 -7.837 1.00 0.00 C ATOM 0 H VAL A 29 2.153 -13.433 -5.049 1.00 0.00 H new ATOM 0 HA VAL A 29 3.055 -13.661 -7.847 1.00 0.00 H new ATOM 0 HB VAL A 29 0.362 -12.688 -6.808 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.198 -12.283 -9.171 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.154 -11.261 -8.628 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.471 -12.695 -9.633 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.550 -14.518 -8.178 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.104 -15.023 -8.599 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.546 -15.123 -6.912 1.00 0.00 H new ATOM 386 N LEU A 30 3.444 -11.149 -8.040 1.00 0.00 N ATOM 387 CA LEU A 30 3.947 -9.779 -8.028 1.00 0.00 C ATOM 388 C LEU A 30 2.800 -8.778 -7.939 1.00 0.00 C ATOM 389 O LEU A 30 2.015 -8.636 -8.876 1.00 0.00 O ATOM 390 CB LEU A 30 4.779 -9.509 -9.283 1.00 0.00 C ATOM 391 CG LEU A 30 5.561 -8.194 -9.301 1.00 0.00 C ATOM 392 CD1 LEU A 30 6.811 -8.306 -8.442 1.00 0.00 C ATOM 393 CD2 LEU A 30 5.923 -7.809 -10.726 1.00 0.00 C ATOM 0 H LEU A 30 3.523 -11.619 -8.942 1.00 0.00 H new ATOM 0 HA LEU A 30 4.579 -9.658 -7.148 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.485 -10.330 -9.410 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.113 -9.524 -10.146 1.00 0.00 H new ATOM 0 HG LEU A 30 4.928 -7.410 -8.885 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.355 -7.362 -8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.527 -8.535 -7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.448 -9.102 -8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.479 -6.871 -10.720 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.538 -8.592 -11.169 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.012 -7.687 -11.312 1.00 0.00 H new ATOM 405 N GLN A 31 2.710 -8.087 -6.808 1.00 0.00 N ATOM 406 CA GLN A 31 1.660 -7.098 -6.599 1.00 0.00 C ATOM 407 C GLN A 31 2.251 -5.701 -6.439 1.00 0.00 C ATOM 408 O GLN A 31 3.132 -5.481 -5.608 1.00 0.00 O ATOM 409 CB GLN A 31 0.831 -7.457 -5.364 1.00 0.00 C ATOM 410 CG GLN A 31 0.357 -8.902 -5.350 1.00 0.00 C ATOM 411 CD GLN A 31 -0.560 -9.226 -6.513 1.00 0.00 C ATOM 412 OE1 GLN A 31 -0.971 -8.340 -7.261 1.00 0.00 O ATOM 413 NE2 GLN A 31 -0.888 -10.504 -6.669 1.00 0.00 N ATOM 0 H GLN A 31 3.352 -8.194 -6.022 1.00 0.00 H new ATOM 0 HA GLN A 31 1.014 -7.101 -7.477 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.426 -7.269 -4.470 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.036 -6.798 -5.314 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.222 -9.565 -5.379 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.165 -9.100 -4.414 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.524 -11.206 -6.025 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.504 -10.783 -7.433 1.00 0.00 H new ATOM 422 N SER A 32 1.760 -4.761 -7.240 1.00 0.00 N ATOM 423 CA SER A 32 2.242 -3.385 -7.190 1.00 0.00 C ATOM 424 C SER A 32 1.101 -2.401 -7.426 1.00 0.00 C ATOM 425 O SER A 32 0.039 -2.771 -7.924 1.00 0.00 O ATOM 426 CB SER A 32 3.341 -3.170 -8.234 1.00 0.00 C ATOM 427 OG SER A 32 3.976 -1.916 -8.055 1.00 0.00 O ATOM 0 H SER A 32 1.029 -4.927 -7.931 1.00 0.00 H new ATOM 0 HA SER A 32 2.653 -3.205 -6.197 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.079 -3.969 -8.160 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.912 -3.224 -9.235 1.00 0.00 H new ATOM 0 HG SER A 32 3.945 -1.666 -7.108 1.00 0.00 H new ATOM 433 N PHE A 33 1.330 -1.142 -7.064 1.00 0.00 N ATOM 434 CA PHE A 33 0.322 -0.103 -7.234 1.00 0.00 C ATOM 435 C PHE A 33 0.973 1.274 -7.340 1.00 0.00 C ATOM 436 O PHE A 33 2.197 1.397 -7.334 1.00 0.00 O ATOM 437 CB PHE A 33 -0.665 -0.125 -6.066 1.00 0.00 C ATOM 438 CG PHE A 33 -0.001 -0.129 -4.719 1.00 0.00 C ATOM 439 CD1 PHE A 33 0.731 -1.227 -4.297 1.00 0.00 C ATOM 440 CD2 PHE A 33 -0.109 0.965 -3.875 1.00 0.00 C ATOM 441 CE1 PHE A 33 1.344 -1.234 -3.057 1.00 0.00 C ATOM 442 CE2 PHE A 33 0.502 0.964 -2.636 1.00 0.00 C ATOM 443 CZ PHE A 33 1.228 -0.138 -2.226 1.00 0.00 C ATOM 0 H PHE A 33 2.205 -0.818 -6.651 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.218 -0.302 -8.160 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.319 0.744 -6.137 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.298 -1.008 -6.153 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.824 -2.087 -4.943 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.677 1.828 -4.189 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.912 -2.096 -2.740 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.412 1.824 -1.988 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.704 -0.142 -1.257 1.00 0.00 H new ATOM 453 N THR A 34 0.143 2.308 -7.435 1.00 0.00 N ATOM 454 CA THR A 34 0.636 3.676 -7.544 1.00 0.00 C ATOM 455 C THR A 34 0.122 4.538 -6.396 1.00 0.00 C ATOM 456 O THR A 34 -1.077 4.561 -6.113 1.00 0.00 O ATOM 457 CB THR A 34 0.219 4.318 -8.880 1.00 0.00 C ATOM 458 OG1 THR A 34 0.728 3.546 -9.974 1.00 0.00 O ATOM 459 CG2 THR A 34 0.736 5.745 -8.978 1.00 0.00 C ATOM 0 H THR A 34 -0.874 2.224 -7.439 1.00 0.00 H new ATOM 0 HA THR A 34 1.724 3.625 -7.498 1.00 0.00 H new ATOM 0 HB THR A 34 -0.870 4.338 -8.925 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.457 3.960 -10.820 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.429 6.178 -9.930 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.326 6.338 -8.160 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.824 5.743 -8.914 1.00 0.00 H new ATOM 467 N VAL A 35 1.034 5.245 -5.739 1.00 0.00 N ATOM 468 CA VAL A 35 0.672 6.111 -4.622 1.00 0.00 C ATOM 469 C VAL A 35 0.793 7.582 -5.007 1.00 0.00 C ATOM 470 O VAL A 35 1.895 8.118 -5.115 1.00 0.00 O ATOM 471 CB VAL A 35 1.557 5.839 -3.392 1.00 0.00 C ATOM 472 CG1 VAL A 35 1.131 6.717 -2.224 1.00 0.00 C ATOM 473 CG2 VAL A 35 1.502 4.368 -3.011 1.00 0.00 C ATOM 0 H VAL A 35 2.030 5.236 -5.960 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.365 5.888 -4.370 1.00 0.00 H new ATOM 0 HB VAL A 35 2.588 6.086 -3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.767 6.511 -1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.227 7.766 -2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.093 6.503 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.133 4.194 -2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.474 4.091 -2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.859 3.763 -3.844 1.00 0.00 H new ATOM 483 N ASP A 36 -0.350 8.229 -5.210 1.00 0.00 N ATOM 484 CA ASP A 36 -0.374 9.640 -5.581 1.00 0.00 C ATOM 485 C ASP A 36 -0.337 10.528 -4.341 1.00 0.00 C ATOM 486 O ASP A 36 -1.361 10.753 -3.696 1.00 0.00 O ATOM 487 CB ASP A 36 -1.621 9.950 -6.409 1.00 0.00 C ATOM 488 CG ASP A 36 -1.558 11.319 -7.060 1.00 0.00 C ATOM 489 OD1 ASP A 36 -0.435 11.817 -7.286 1.00 0.00 O ATOM 490 OD2 ASP A 36 -2.631 11.890 -7.342 1.00 0.00 O ATOM 0 H ASP A 36 -1.271 7.800 -5.124 1.00 0.00 H new ATOM 0 HA ASP A 36 0.512 9.848 -6.181 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.740 9.189 -7.180 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.502 9.895 -5.769 1.00 0.00 H new ATOM 495 N SER A 37 0.850 11.029 -4.013 1.00 0.00 N ATOM 496 CA SER A 37 1.021 11.889 -2.848 1.00 0.00 C ATOM 497 C SER A 37 1.393 13.307 -3.269 1.00 0.00 C ATOM 498 O SER A 37 2.109 14.011 -2.556 1.00 0.00 O ATOM 499 CB SER A 37 2.098 11.320 -1.922 1.00 0.00 C ATOM 500 OG SER A 37 3.374 11.362 -2.537 1.00 0.00 O ATOM 0 H SER A 37 1.707 10.854 -4.538 1.00 0.00 H new ATOM 0 HA SER A 37 0.073 11.926 -2.312 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.120 11.889 -0.992 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.851 10.291 -1.661 1.00 0.00 H new ATOM 0 HG SER A 37 4.045 10.994 -1.924 1.00 0.00 H new ATOM 506 N SER A 38 0.904 13.720 -4.434 1.00 0.00 N ATOM 507 CA SER A 38 1.187 15.052 -4.953 1.00 0.00 C ATOM 508 C SER A 38 0.408 16.114 -4.182 1.00 0.00 C ATOM 509 O SER A 38 0.932 17.183 -3.872 1.00 0.00 O ATOM 510 CB SER A 38 0.837 15.128 -6.440 1.00 0.00 C ATOM 511 OG SER A 38 1.257 16.359 -7.001 1.00 0.00 O ATOM 0 H SER A 38 0.310 13.150 -5.036 1.00 0.00 H new ATOM 0 HA SER A 38 2.252 15.244 -4.826 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.311 14.302 -6.971 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.239 15.014 -6.570 1.00 0.00 H new ATOM 0 HG SER A 38 1.023 16.382 -7.952 1.00 0.00 H new ATOM 517 N LYS A 39 -0.848 15.808 -3.874 1.00 0.00 N ATOM 518 CA LYS A 39 -1.701 16.734 -3.138 1.00 0.00 C ATOM 519 C LYS A 39 -1.300 16.793 -1.668 1.00 0.00 C ATOM 520 O LYS A 39 -1.548 17.786 -0.985 1.00 0.00 O ATOM 521 CB LYS A 39 -3.168 16.314 -3.259 1.00 0.00 C ATOM 522 CG LYS A 39 -3.637 16.150 -4.694 1.00 0.00 C ATOM 523 CD LYS A 39 -4.222 17.442 -5.241 1.00 0.00 C ATOM 524 CE LYS A 39 -3.167 18.276 -5.950 1.00 0.00 C ATOM 525 NZ LYS A 39 -3.650 19.656 -6.235 1.00 0.00 N ATOM 0 H LYS A 39 -1.297 14.927 -4.122 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.575 17.726 -3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.313 15.373 -2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.792 17.058 -2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.800 15.836 -5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.386 15.360 -4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.031 17.211 -5.934 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.656 18.020 -4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.269 18.325 -5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.887 17.789 -6.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.902 20.193 -6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.492 19.610 -6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.894 20.130 -5.342 1.00 0.00 H new ATOM 539 N ALA A 40 -0.676 15.723 -1.186 1.00 0.00 N ATOM 540 CA ALA A 40 -0.235 15.654 0.202 1.00 0.00 C ATOM 541 C ALA A 40 0.916 16.620 0.461 1.00 0.00 C ATOM 542 O ALA A 40 1.044 17.169 1.555 1.00 0.00 O ATOM 543 CB ALA A 40 0.177 14.233 0.556 1.00 0.00 C ATOM 0 H ALA A 40 -0.464 14.891 -1.737 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.071 15.947 0.837 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.504 14.197 1.595 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.672 13.563 0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.995 13.919 -0.093 1.00 0.00 H new ATOM 549 N GLY A 41 1.750 16.825 -0.553 1.00 0.00 N ATOM 550 CA GLY A 41 2.880 17.725 -0.414 1.00 0.00 C ATOM 551 C GLY A 41 4.195 17.067 -0.788 1.00 0.00 C ATOM 552 O GLY A 41 4.239 16.206 -1.667 1.00 0.00 O ATOM 0 H GLY A 41 1.664 16.384 -1.469 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.723 18.600 -1.044 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.934 18.079 0.615 1.00 0.00 H new ATOM 556 N LEU A 42 5.269 17.475 -0.120 1.00 0.00 N ATOM 557 CA LEU A 42 6.591 16.921 -0.388 1.00 0.00 C ATOM 558 C LEU A 42 7.029 15.988 0.737 1.00 0.00 C ATOM 559 O LEU A 42 8.213 15.686 0.880 1.00 0.00 O ATOM 560 CB LEU A 42 7.612 18.047 -0.558 1.00 0.00 C ATOM 561 CG LEU A 42 7.056 19.393 -1.023 1.00 0.00 C ATOM 562 CD1 LEU A 42 6.139 19.205 -2.222 1.00 0.00 C ATOM 563 CD2 LEU A 42 6.317 20.087 0.113 1.00 0.00 C ATOM 0 H LEU A 42 5.250 18.187 0.610 1.00 0.00 H new ATOM 0 HA LEU A 42 6.536 16.345 -1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.120 18.196 0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.366 17.721 -1.274 1.00 0.00 H new ATOM 0 HG LEU A 42 7.891 20.025 -1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.752 20.173 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.698 18.751 -3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.308 18.555 -1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.928 21.043 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.491 19.459 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.002 20.256 0.944 1.00 0.00 H new ATOM 575 N ALA A 43 6.065 15.534 1.532 1.00 0.00 N ATOM 576 CA ALA A 43 6.350 14.633 2.641 1.00 0.00 C ATOM 577 C ALA A 43 6.633 13.220 2.141 1.00 0.00 C ATOM 578 O ALA A 43 6.140 12.795 1.096 1.00 0.00 O ATOM 579 CB ALA A 43 5.190 14.624 3.626 1.00 0.00 C ATOM 0 H ALA A 43 5.080 15.776 1.428 1.00 0.00 H new ATOM 0 HA ALA A 43 7.242 14.996 3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.417 13.947 4.449 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.036 15.630 4.016 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.285 14.289 3.119 1.00 0.00 H new ATOM 585 N PRO A 44 7.446 12.474 2.904 1.00 0.00 N ATOM 586 CA PRO A 44 7.814 11.097 2.558 1.00 0.00 C ATOM 587 C PRO A 44 6.640 10.133 2.693 1.00 0.00 C ATOM 588 O PRO A 44 5.606 10.475 3.270 1.00 0.00 O ATOM 589 CB PRO A 44 8.907 10.757 3.573 1.00 0.00 C ATOM 590 CG PRO A 44 8.635 11.647 4.736 1.00 0.00 C ATOM 591 CD PRO A 44 8.070 12.916 4.162 1.00 0.00 C ATOM 0 HA PRO A 44 8.136 11.008 1.520 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.867 9.706 3.861 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.900 10.937 3.161 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.930 11.183 5.426 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.548 11.845 5.298 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.342 13.371 4.833 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.848 13.658 3.985 1.00 0.00 H new ATOM 599 N LEU A 45 6.807 8.928 2.160 1.00 0.00 N ATOM 600 CA LEU A 45 5.760 7.913 2.223 1.00 0.00 C ATOM 601 C LEU A 45 6.273 6.644 2.897 1.00 0.00 C ATOM 602 O LEU A 45 7.433 6.269 2.733 1.00 0.00 O ATOM 603 CB LEU A 45 5.253 7.588 0.817 1.00 0.00 C ATOM 604 CG LEU A 45 4.307 6.392 0.705 1.00 0.00 C ATOM 605 CD1 LEU A 45 2.863 6.836 0.873 1.00 0.00 C ATOM 606 CD2 LEU A 45 4.497 5.685 -0.630 1.00 0.00 C ATOM 0 H LEU A 45 7.656 8.630 1.680 1.00 0.00 H new ATOM 0 HA LEU A 45 4.937 8.311 2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.743 8.467 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.115 7.406 0.175 1.00 0.00 H new ATOM 0 HG LEU A 45 4.545 5.689 1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.205 5.971 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.736 7.297 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.612 7.559 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.816 4.836 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.287 6.380 -1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.525 5.332 -0.712 1.00 0.00 H new ATOM 618 N GLU A 46 5.398 5.988 3.653 1.00 0.00 N ATOM 619 CA GLU A 46 5.763 4.760 4.350 1.00 0.00 C ATOM 620 C GLU A 46 4.737 3.661 4.090 1.00 0.00 C ATOM 621 O GLU A 46 3.538 3.926 3.988 1.00 0.00 O ATOM 622 CB GLU A 46 5.881 5.017 5.854 1.00 0.00 C ATOM 623 CG GLU A 46 6.806 4.046 6.567 1.00 0.00 C ATOM 624 CD GLU A 46 8.270 4.324 6.286 1.00 0.00 C ATOM 625 OE1 GLU A 46 8.778 5.362 6.761 1.00 0.00 O ATOM 626 OE2 GLU A 46 8.909 3.504 5.595 1.00 0.00 O ATOM 0 H GLU A 46 4.433 6.286 3.798 1.00 0.00 H new ATOM 0 HA GLU A 46 6.729 4.429 3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.242 6.033 6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.890 4.957 6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.629 4.103 7.641 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.567 3.028 6.258 1.00 0.00 H new ATOM 633 N VAL A 47 5.216 2.425 3.982 1.00 0.00 N ATOM 634 CA VAL A 47 4.342 1.286 3.734 1.00 0.00 C ATOM 635 C VAL A 47 4.724 0.099 4.611 1.00 0.00 C ATOM 636 O VAL A 47 5.874 -0.034 5.026 1.00 0.00 O ATOM 637 CB VAL A 47 4.388 0.854 2.256 1.00 0.00 C ATOM 638 CG1 VAL A 47 3.406 -0.279 1.999 1.00 0.00 C ATOM 639 CG2 VAL A 47 4.100 2.037 1.346 1.00 0.00 C ATOM 0 H VAL A 47 6.205 2.188 4.063 1.00 0.00 H new ATOM 0 HA VAL A 47 3.329 1.605 3.980 1.00 0.00 H new ATOM 0 HB VAL A 47 5.391 0.490 2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.453 -0.570 0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.664 -1.133 2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.396 0.054 2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.137 1.713 0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.109 2.434 1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.847 2.813 1.511 1.00 0.00 H new ATOM 649 N ARG A 48 3.749 -0.761 4.890 1.00 0.00 N ATOM 650 CA ARG A 48 3.983 -1.937 5.719 1.00 0.00 C ATOM 651 C ARG A 48 2.961 -3.028 5.416 1.00 0.00 C ATOM 652 O ARG A 48 1.801 -2.742 5.118 1.00 0.00 O ATOM 653 CB ARG A 48 3.920 -1.564 7.201 1.00 0.00 C ATOM 654 CG ARG A 48 5.178 -0.877 7.710 1.00 0.00 C ATOM 655 CD ARG A 48 5.416 -1.171 9.182 1.00 0.00 C ATOM 656 NE ARG A 48 6.643 -0.548 9.673 1.00 0.00 N ATOM 657 CZ ARG A 48 7.285 -0.950 10.765 1.00 0.00 C ATOM 658 NH1 ARG A 48 6.819 -1.968 11.476 1.00 0.00 N ATOM 659 NH2 ARG A 48 8.396 -0.333 11.147 1.00 0.00 N ATOM 0 H ARG A 48 2.791 -0.665 4.554 1.00 0.00 H new ATOM 0 HA ARG A 48 4.977 -2.320 5.489 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.066 -0.908 7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.746 -2.466 7.787 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.037 -1.210 7.128 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.091 0.199 7.562 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.568 -0.811 9.765 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.472 -2.249 9.332 1.00 0.00 H new ATOM 0 HE ARG A 48 7.028 0.238 9.149 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.966 -2.445 11.185 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.314 -2.274 12.314 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.757 0.450 10.602 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.888 -0.642 11.985 1.00 0.00 H new ATOM 673 N VAL A 49 3.399 -4.281 5.492 1.00 0.00 N ATOM 674 CA VAL A 49 2.523 -5.416 5.226 1.00 0.00 C ATOM 675 C VAL A 49 2.528 -6.400 6.391 1.00 0.00 C ATOM 676 O VAL A 49 3.585 -6.863 6.821 1.00 0.00 O ATOM 677 CB VAL A 49 2.938 -6.156 3.941 1.00 0.00 C ATOM 678 CG1 VAL A 49 2.094 -7.407 3.749 1.00 0.00 C ATOM 679 CG2 VAL A 49 2.823 -5.236 2.736 1.00 0.00 C ATOM 0 H VAL A 49 4.356 -4.536 5.736 1.00 0.00 H new ATOM 0 HA VAL A 49 1.517 -5.016 5.097 1.00 0.00 H new ATOM 0 HB VAL A 49 3.980 -6.461 4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.402 -7.917 2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.232 -8.073 4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.043 -7.129 3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.120 -5.775 1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.792 -4.899 2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.475 -4.373 2.874 1.00 0.00 H new ATOM 689 N LEU A 50 1.341 -6.713 6.898 1.00 0.00 N ATOM 690 CA LEU A 50 1.207 -7.644 8.014 1.00 0.00 C ATOM 691 C LEU A 50 0.330 -8.831 7.631 1.00 0.00 C ATOM 692 O LEU A 50 -0.797 -8.660 7.169 1.00 0.00 O ATOM 693 CB LEU A 50 0.617 -6.929 9.231 1.00 0.00 C ATOM 694 CG LEU A 50 1.563 -5.995 9.985 1.00 0.00 C ATOM 695 CD1 LEU A 50 1.658 -4.650 9.282 1.00 0.00 C ATOM 696 CD2 LEU A 50 1.101 -5.816 11.424 1.00 0.00 C ATOM 0 H LEU A 50 0.457 -6.336 6.555 1.00 0.00 H new ATOM 0 HA LEU A 50 2.200 -8.017 8.266 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.247 -6.351 8.904 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.251 -7.683 9.928 1.00 0.00 H new ATOM 0 HG LEU A 50 2.555 -6.446 9.997 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.336 -3.998 9.833 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.036 -4.794 8.270 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.670 -4.192 9.238 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.786 -5.148 11.946 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.099 -5.388 11.434 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.087 -6.784 11.925 1.00 0.00 H new ATOM 708 N GLY A 51 0.854 -10.036 7.830 1.00 0.00 N ATOM 709 CA GLY A 51 0.104 -11.235 7.502 1.00 0.00 C ATOM 710 C GLY A 51 -1.099 -11.431 8.404 1.00 0.00 C ATOM 711 O GLY A 51 -1.336 -10.660 9.334 1.00 0.00 O ATOM 0 H GLY A 51 1.785 -10.204 8.213 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.228 -11.180 6.465 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.759 -12.103 7.581 1.00 0.00 H new ATOM 715 N PRO A 52 -1.884 -12.483 8.129 1.00 0.00 N ATOM 716 CA PRO A 52 -3.083 -12.801 8.911 1.00 0.00 C ATOM 717 C PRO A 52 -2.747 -13.293 10.314 1.00 0.00 C ATOM 718 O PRO A 52 -3.304 -12.814 11.301 1.00 0.00 O ATOM 719 CB PRO A 52 -3.750 -13.914 8.099 1.00 0.00 C ATOM 720 CG PRO A 52 -2.637 -14.548 7.338 1.00 0.00 C ATOM 721 CD PRO A 52 -1.662 -13.443 7.035 1.00 0.00 C ATOM 0 HA PRO A 52 -3.716 -11.926 9.062 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.246 -14.635 8.749 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.510 -13.513 7.428 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.164 -15.337 7.923 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.004 -15.008 6.420 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.634 -13.806 7.021 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.854 -12.994 6.061 1.00 0.00 H new ATOM 729 N ARG A 53 -1.831 -14.254 10.395 1.00 0.00 N ATOM 730 CA ARG A 53 -1.420 -14.812 11.678 1.00 0.00 C ATOM 731 C ARG A 53 -0.560 -13.818 12.453 1.00 0.00 C ATOM 732 O ARG A 53 -0.655 -13.720 13.675 1.00 0.00 O ATOM 733 CB ARG A 53 -0.649 -16.115 11.469 1.00 0.00 C ATOM 734 CG ARG A 53 -1.322 -17.071 10.496 1.00 0.00 C ATOM 735 CD ARG A 53 -0.713 -16.971 9.107 1.00 0.00 C ATOM 736 NE ARG A 53 0.364 -17.937 8.909 1.00 0.00 N ATOM 737 CZ ARG A 53 0.166 -19.247 8.805 1.00 0.00 C ATOM 738 NH1 ARG A 53 -1.061 -19.743 8.878 1.00 0.00 N ATOM 739 NH2 ARG A 53 1.197 -20.063 8.627 1.00 0.00 N ATOM 0 H ARG A 53 -1.360 -14.662 9.587 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.318 -15.019 12.259 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.351 -15.881 11.103 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.528 -16.614 12.430 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.227 -18.093 10.864 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.388 -16.849 10.444 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.489 -17.135 8.359 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.328 -15.963 8.952 1.00 0.00 H new ATOM 0 HE ARG A 53 1.320 -17.587 8.847 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.856 -19.119 9.014 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.210 -20.749 8.798 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.143 -19.685 8.570 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.044 -21.068 8.547 1.00 0.00 H new ATOM 753 N GLY A 54 0.282 -13.083 11.731 1.00 0.00 N ATOM 754 CA GLY A 54 1.148 -12.107 12.368 1.00 0.00 C ATOM 755 C GLY A 54 2.538 -12.087 11.766 1.00 0.00 C ATOM 756 O GLY A 54 3.529 -11.918 12.478 1.00 0.00 O ATOM 0 H GLY A 54 0.380 -13.146 10.718 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.702 -11.116 12.278 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.219 -12.329 13.433 1.00 0.00 H new ATOM 760 N LEU A 55 2.616 -12.262 10.451 1.00 0.00 N ATOM 761 CA LEU A 55 3.897 -12.266 9.753 1.00 0.00 C ATOM 762 C LEU A 55 4.258 -10.864 9.271 1.00 0.00 C ATOM 763 O LEU A 55 3.380 -10.050 8.983 1.00 0.00 O ATOM 764 CB LEU A 55 3.850 -13.230 8.566 1.00 0.00 C ATOM 765 CG LEU A 55 4.979 -13.091 7.544 1.00 0.00 C ATOM 766 CD1 LEU A 55 6.226 -13.818 8.023 1.00 0.00 C ATOM 767 CD2 LEU A 55 4.538 -13.619 6.187 1.00 0.00 C ATOM 0 H LEU A 55 1.807 -12.403 9.847 1.00 0.00 H new ATOM 0 HA LEU A 55 4.664 -12.598 10.453 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.859 -14.250 8.951 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.900 -13.093 8.049 1.00 0.00 H new ATOM 0 HG LEU A 55 5.219 -12.033 7.438 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.018 -13.708 7.283 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.554 -13.392 8.971 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.001 -14.876 8.159 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.354 -13.512 5.472 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.269 -14.672 6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.674 -13.052 5.839 1.00 0.00 H new ATOM 779 N VAL A 56 5.555 -10.590 9.184 1.00 0.00 N ATOM 780 CA VAL A 56 6.032 -9.288 8.733 1.00 0.00 C ATOM 781 C VAL A 56 6.787 -9.406 7.413 1.00 0.00 C ATOM 782 O VAL A 56 7.722 -10.197 7.291 1.00 0.00 O ATOM 783 CB VAL A 56 6.953 -8.635 9.781 1.00 0.00 C ATOM 784 CG1 VAL A 56 7.484 -7.305 9.269 1.00 0.00 C ATOM 785 CG2 VAL A 56 6.214 -8.453 11.098 1.00 0.00 C ATOM 0 H VAL A 56 6.294 -11.252 9.420 1.00 0.00 H new ATOM 0 HA VAL A 56 5.152 -8.660 8.590 1.00 0.00 H new ATOM 0 HB VAL A 56 7.803 -9.295 9.956 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.133 -6.858 10.022 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.051 -7.468 8.352 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.649 -6.634 9.065 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.879 -7.990 11.827 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.345 -7.814 10.942 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.888 -9.424 11.469 1.00 0.00 H new ATOM 795 N GLU A 57 6.374 -8.614 6.429 1.00 0.00 N ATOM 796 CA GLU A 57 7.012 -8.630 5.118 1.00 0.00 C ATOM 797 C GLU A 57 7.430 -7.224 4.699 1.00 0.00 C ATOM 798 O GLU A 57 6.729 -6.242 4.943 1.00 0.00 O ATOM 799 CB GLU A 57 6.065 -9.225 4.073 1.00 0.00 C ATOM 800 CG GLU A 57 5.861 -10.723 4.220 1.00 0.00 C ATOM 801 CD GLU A 57 7.169 -11.491 4.236 1.00 0.00 C ATOM 802 OE1 GLU A 57 8.102 -11.091 3.509 1.00 0.00 O ATOM 803 OE2 GLU A 57 7.259 -12.492 4.977 1.00 0.00 O ATOM 0 H GLU A 57 5.601 -7.954 6.514 1.00 0.00 H new ATOM 0 HA GLU A 57 7.905 -9.251 5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.098 -8.726 4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.458 -9.016 3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.315 -10.923 5.142 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.242 -11.084 3.399 1.00 0.00 H new ATOM 810 N PRO A 58 8.601 -7.123 4.052 1.00 0.00 N ATOM 811 CA PRO A 58 9.140 -5.843 3.586 1.00 0.00 C ATOM 812 C PRO A 58 8.338 -5.265 2.424 1.00 0.00 C ATOM 813 O PRO A 58 7.500 -5.947 1.835 1.00 0.00 O ATOM 814 CB PRO A 58 10.558 -6.200 3.131 1.00 0.00 C ATOM 815 CG PRO A 58 10.492 -7.648 2.784 1.00 0.00 C ATOM 816 CD PRO A 58 9.489 -8.253 3.727 1.00 0.00 C ATOM 0 HA PRO A 58 9.106 -5.079 4.363 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.861 -5.601 2.272 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.286 -6.015 3.921 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.187 -7.788 1.747 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.468 -8.121 2.895 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.942 -9.072 3.260 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.968 -8.657 4.619 1.00 0.00 H new ATOM 824 N VAL A 59 8.600 -4.002 2.101 1.00 0.00 N ATOM 825 CA VAL A 59 7.904 -3.333 1.009 1.00 0.00 C ATOM 826 C VAL A 59 8.865 -2.487 0.181 1.00 0.00 C ATOM 827 O VAL A 59 9.856 -1.972 0.697 1.00 0.00 O ATOM 828 CB VAL A 59 6.768 -2.435 1.535 1.00 0.00 C ATOM 829 CG1 VAL A 59 5.993 -1.823 0.378 1.00 0.00 C ATOM 830 CG2 VAL A 59 5.844 -3.226 2.448 1.00 0.00 C ATOM 0 H VAL A 59 9.289 -3.422 2.580 1.00 0.00 H new ATOM 0 HA VAL A 59 7.478 -4.114 0.379 1.00 0.00 H new ATOM 0 HB VAL A 59 7.207 -1.624 2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.195 -1.192 0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.666 -1.221 -0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.562 -2.617 -0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.047 -2.576 2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.410 -4.058 1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.412 -3.611 3.295 1.00 0.00 H new ATOM 840 N ASN A 60 8.563 -2.346 -1.105 1.00 0.00 N ATOM 841 CA ASN A 60 9.400 -1.561 -2.005 1.00 0.00 C ATOM 842 C ASN A 60 8.857 -0.143 -2.156 1.00 0.00 C ATOM 843 O ASN A 60 7.649 0.060 -2.282 1.00 0.00 O ATOM 844 CB ASN A 60 9.483 -2.236 -3.376 1.00 0.00 C ATOM 845 CG ASN A 60 10.197 -1.377 -4.402 1.00 0.00 C ATOM 846 OD1 ASN A 60 9.429 -0.746 -5.284 1.00 0.00 O flip ATOM 847 ND2 ASN A 60 11.425 -1.280 -4.400 1.00 0.00 N flip ATOM 0 H ASN A 60 7.745 -2.765 -1.548 1.00 0.00 H new ATOM 0 HA ASN A 60 10.399 -1.504 -1.574 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.004 -3.188 -3.278 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.476 -2.458 -3.730 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.975 -1.783 -3.704 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.892 -0.697 -5.095 1.00 0.00 H new ATOM 854 N VAL A 61 9.758 0.834 -2.144 1.00 0.00 N ATOM 855 CA VAL A 61 9.370 2.233 -2.280 1.00 0.00 C ATOM 856 C VAL A 61 10.257 2.953 -3.289 1.00 0.00 C ATOM 857 O VAL A 61 11.457 3.120 -3.069 1.00 0.00 O ATOM 858 CB VAL A 61 9.443 2.969 -0.930 1.00 0.00 C ATOM 859 CG1 VAL A 61 10.871 2.986 -0.407 1.00 0.00 C ATOM 860 CG2 VAL A 61 8.900 4.385 -1.066 1.00 0.00 C ATOM 0 H VAL A 61 10.761 0.683 -2.042 1.00 0.00 H new ATOM 0 HA VAL A 61 8.339 2.243 -2.635 1.00 0.00 H new ATOM 0 HB VAL A 61 8.824 2.433 -0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 61 10.903 3.511 0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.221 1.963 -0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.515 3.497 -1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.959 4.891 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 61 9.491 4.932 -1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 61 7.861 4.346 -1.393 1.00 0.00 H new ATOM 870 N VAL A 62 9.660 3.378 -4.397 1.00 0.00 N ATOM 871 CA VAL A 62 10.396 4.083 -5.441 1.00 0.00 C ATOM 872 C VAL A 62 9.617 5.296 -5.938 1.00 0.00 C ATOM 873 O VAL A 62 8.476 5.174 -6.381 1.00 0.00 O ATOM 874 CB VAL A 62 10.700 3.158 -6.634 1.00 0.00 C ATOM 875 CG1 VAL A 62 11.355 3.940 -7.762 1.00 0.00 C ATOM 876 CG2 VAL A 62 11.582 1.998 -6.196 1.00 0.00 C ATOM 0 H VAL A 62 8.668 3.247 -4.596 1.00 0.00 H new ATOM 0 HA VAL A 62 11.336 4.414 -4.999 1.00 0.00 H new ATOM 0 HB VAL A 62 9.760 2.750 -7.005 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.563 3.270 -8.596 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.684 4.734 -8.092 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.288 4.378 -7.407 1.00 0.00 H new ATOM 0 HG21 VAL A 62 11.787 1.354 -7.051 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.521 2.384 -5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 62 11.071 1.424 -5.424 1.00 0.00 H new ATOM 886 N ASP A 63 10.243 6.465 -5.861 1.00 0.00 N ATOM 887 CA ASP A 63 9.611 7.702 -6.305 1.00 0.00 C ATOM 888 C ASP A 63 9.630 7.806 -7.827 1.00 0.00 C ATOM 889 O ASP A 63 10.649 7.544 -8.464 1.00 0.00 O ATOM 890 CB ASP A 63 10.318 8.910 -5.690 1.00 0.00 C ATOM 891 CG ASP A 63 9.650 10.221 -6.058 1.00 0.00 C ATOM 892 OD1 ASP A 63 8.414 10.322 -5.903 1.00 0.00 O ATOM 893 OD2 ASP A 63 10.363 11.145 -6.500 1.00 0.00 O ATOM 0 H ASP A 63 11.188 6.582 -5.495 1.00 0.00 H new ATOM 0 HA ASP A 63 8.573 7.690 -5.973 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.333 8.805 -4.605 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.356 8.928 -6.023 1.00 0.00 H new ATOM 898 N ASN A 64 8.494 8.189 -8.403 1.00 0.00 N ATOM 899 CA ASN A 64 8.380 8.325 -9.851 1.00 0.00 C ATOM 900 C ASN A 64 9.047 9.612 -10.330 1.00 0.00 C ATOM 901 O ASN A 64 9.739 9.623 -11.346 1.00 0.00 O ATOM 902 CB ASN A 64 6.909 8.313 -10.271 1.00 0.00 C ATOM 903 CG ASN A 64 6.259 6.959 -10.060 1.00 0.00 C ATOM 904 OD1 ASN A 64 6.013 6.609 -8.804 1.00 0.00 O flip ATOM 905 ND2 ASN A 64 5.982 6.237 -11.019 1.00 0.00 N flip ATOM 0 H ASN A 64 7.641 8.410 -7.890 1.00 0.00 H new ATOM 0 HA ASN A 64 8.889 7.479 -10.312 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.365 9.067 -9.702 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.832 8.590 -11.322 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.190 6.548 -11.968 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.545 5.328 -10.864 1.00 0.00 H new ATOM 912 N GLY A 65 8.834 10.694 -9.588 1.00 0.00 N ATOM 913 CA GLY A 65 9.420 11.970 -9.953 1.00 0.00 C ATOM 914 C GLY A 65 8.377 12.998 -10.344 1.00 0.00 C ATOM 915 O GLY A 65 8.594 14.201 -10.194 1.00 0.00 O ATOM 0 H GLY A 65 8.266 10.710 -8.741 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.004 12.351 -9.115 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.111 11.824 -10.783 1.00 0.00 H new ATOM 919 N ASP A 66 7.242 12.525 -10.846 1.00 0.00 N ATOM 920 CA ASP A 66 6.161 13.410 -11.261 1.00 0.00 C ATOM 921 C ASP A 66 5.291 13.802 -10.070 1.00 0.00 C ATOM 922 O ASP A 66 4.968 14.974 -9.883 1.00 0.00 O ATOM 923 CB ASP A 66 5.303 12.737 -12.334 1.00 0.00 C ATOM 924 CG ASP A 66 4.229 11.846 -11.741 1.00 0.00 C ATOM 925 OD1 ASP A 66 4.517 10.656 -11.493 1.00 0.00 O ATOM 926 OD2 ASP A 66 3.101 12.337 -11.528 1.00 0.00 O ATOM 0 H ASP A 66 7.047 11.532 -10.975 1.00 0.00 H new ATOM 0 HA ASP A 66 6.606 14.314 -11.677 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.835 13.502 -12.954 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.943 12.144 -12.988 1.00 0.00 H new ATOM 931 N GLY A 67 4.915 12.811 -9.266 1.00 0.00 N ATOM 932 CA GLY A 67 4.086 13.072 -8.104 1.00 0.00 C ATOM 933 C GLY A 67 3.454 11.811 -7.549 1.00 0.00 C ATOM 934 O GLY A 67 2.361 11.852 -6.983 1.00 0.00 O ATOM 0 H GLY A 67 5.170 11.832 -9.399 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.690 13.544 -7.329 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.302 13.780 -8.372 1.00 0.00 H new ATOM 938 N THR A 68 4.142 10.685 -7.711 1.00 0.00 N ATOM 939 CA THR A 68 3.640 9.406 -7.224 1.00 0.00 C ATOM 940 C THR A 68 4.777 8.524 -6.722 1.00 0.00 C ATOM 941 O THR A 68 5.947 8.901 -6.797 1.00 0.00 O ATOM 942 CB THR A 68 2.866 8.652 -8.322 1.00 0.00 C ATOM 943 OG1 THR A 68 3.749 8.306 -9.394 1.00 0.00 O ATOM 944 CG2 THR A 68 1.719 9.497 -8.853 1.00 0.00 C ATOM 0 H THR A 68 5.048 10.633 -8.176 1.00 0.00 H new ATOM 0 HA THR A 68 2.963 9.626 -6.398 1.00 0.00 H new ATOM 0 HB THR A 68 2.453 7.743 -7.886 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.904 9.093 -9.957 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.187 8.944 -9.627 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.033 9.732 -8.039 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.113 10.422 -9.274 1.00 0.00 H new ATOM 952 N HIS A 69 4.428 7.348 -6.211 1.00 0.00 N ATOM 953 CA HIS A 69 5.421 6.411 -5.698 1.00 0.00 C ATOM 954 C HIS A 69 4.977 4.970 -5.925 1.00 0.00 C ATOM 955 O HIS A 69 3.887 4.572 -5.512 1.00 0.00 O ATOM 956 CB HIS A 69 5.660 6.655 -4.207 1.00 0.00 C ATOM 957 CG HIS A 69 5.921 8.090 -3.869 1.00 0.00 C ATOM 958 ND1 HIS A 69 7.144 8.549 -3.428 1.00 0.00 N ATOM 959 CD2 HIS A 69 5.107 9.171 -3.910 1.00 0.00 C ATOM 960 CE1 HIS A 69 7.071 9.850 -3.211 1.00 0.00 C ATOM 961 NE2 HIS A 69 5.846 10.253 -3.497 1.00 0.00 N ATOM 0 H HIS A 69 3.464 7.021 -6.141 1.00 0.00 H new ATOM 0 HA HIS A 69 6.353 6.574 -6.240 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.790 6.311 -3.647 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.508 6.053 -3.880 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.070 9.181 -4.211 1.00 0.00 H new ATOM 0 HE1 HIS A 69 7.876 10.478 -2.859 1.00 0.00 H new ATOM 0 HE2 HIS A 69 5.504 11.211 -3.423 1.00 0.00 H new ATOM 970 N THR A 70 5.827 4.190 -6.586 1.00 0.00 N ATOM 971 CA THR A 70 5.522 2.794 -6.870 1.00 0.00 C ATOM 972 C THR A 70 5.860 1.904 -5.680 1.00 0.00 C ATOM 973 O THR A 70 6.882 2.093 -5.020 1.00 0.00 O ATOM 974 CB THR A 70 6.291 2.292 -8.107 1.00 0.00 C ATOM 975 OG1 THR A 70 5.897 3.036 -9.265 1.00 0.00 O ATOM 976 CG2 THR A 70 6.033 0.810 -8.339 1.00 0.00 C ATOM 0 H THR A 70 6.733 4.503 -6.935 1.00 0.00 H new ATOM 0 HA THR A 70 4.452 2.738 -7.069 1.00 0.00 H new ATOM 0 HB THR A 70 7.356 2.437 -7.928 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.392 2.712 -10.046 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.586 0.478 -9.217 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.361 0.243 -7.468 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.967 0.647 -8.498 1.00 0.00 H new ATOM 984 N VAL A 71 4.995 0.932 -5.410 1.00 0.00 N ATOM 985 CA VAL A 71 5.203 0.010 -4.299 1.00 0.00 C ATOM 986 C VAL A 71 5.016 -1.437 -4.742 1.00 0.00 C ATOM 987 O VAL A 71 3.893 -1.888 -4.970 1.00 0.00 O ATOM 988 CB VAL A 71 4.238 0.308 -3.135 1.00 0.00 C ATOM 989 CG1 VAL A 71 4.498 -0.638 -1.972 1.00 0.00 C ATOM 990 CG2 VAL A 71 4.368 1.757 -2.694 1.00 0.00 C ATOM 0 H VAL A 71 4.143 0.762 -5.945 1.00 0.00 H new ATOM 0 HA VAL A 71 6.228 0.152 -3.958 1.00 0.00 H new ATOM 0 HB VAL A 71 3.217 0.148 -3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.808 -0.413 -1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.350 -1.667 -2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.523 -0.512 -1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.679 1.950 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.389 1.947 -2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.128 2.415 -3.530 1.00 0.00 H new ATOM 1000 N THR A 72 6.125 -2.161 -4.863 1.00 0.00 N ATOM 1001 CA THR A 72 6.084 -3.556 -5.280 1.00 0.00 C ATOM 1002 C THR A 72 6.206 -4.491 -4.083 1.00 0.00 C ATOM 1003 O THR A 72 6.906 -4.190 -3.116 1.00 0.00 O ATOM 1004 CB THR A 72 7.209 -3.875 -6.282 1.00 0.00 C ATOM 1005 OG1 THR A 72 8.473 -3.471 -5.747 1.00 0.00 O ATOM 1006 CG2 THR A 72 6.967 -3.173 -7.610 1.00 0.00 C ATOM 0 H THR A 72 7.062 -1.803 -4.678 1.00 0.00 H new ATOM 0 HA THR A 72 5.120 -3.713 -5.764 1.00 0.00 H new ATOM 0 HB THR A 72 7.216 -4.951 -6.454 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.182 -3.679 -6.390 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.775 -3.414 -8.301 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.018 -3.507 -8.030 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.934 -2.095 -7.451 1.00 0.00 H new ATOM 1014 N TYR A 73 5.521 -5.627 -4.154 1.00 0.00 N ATOM 1015 CA TYR A 73 5.550 -6.607 -3.073 1.00 0.00 C ATOM 1016 C TYR A 73 4.990 -7.948 -3.538 1.00 0.00 C ATOM 1017 O TYR A 73 4.492 -8.073 -4.657 1.00 0.00 O ATOM 1018 CB TYR A 73 4.753 -6.097 -1.872 1.00 0.00 C ATOM 1019 CG TYR A 73 3.270 -6.379 -1.966 1.00 0.00 C ATOM 1020 CD1 TYR A 73 2.412 -5.488 -2.597 1.00 0.00 C ATOM 1021 CD2 TYR A 73 2.727 -7.537 -1.422 1.00 0.00 C ATOM 1022 CE1 TYR A 73 1.057 -5.741 -2.685 1.00 0.00 C ATOM 1023 CE2 TYR A 73 1.374 -7.799 -1.506 1.00 0.00 C ATOM 1024 CZ TYR A 73 0.543 -6.898 -2.138 1.00 0.00 C ATOM 1025 OH TYR A 73 -0.807 -7.154 -2.222 1.00 0.00 O ATOM 0 H TYR A 73 4.939 -5.893 -4.948 1.00 0.00 H new ATOM 0 HA TYR A 73 6.589 -6.751 -2.776 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.145 -6.557 -0.965 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.905 -5.022 -1.776 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.811 -4.581 -3.027 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.375 -8.244 -0.925 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.404 -5.037 -3.179 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.969 -8.705 -1.079 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.235 -6.474 -2.783 1.00 0.00 H new ATOM 1035 N THR A 74 5.076 -8.951 -2.668 1.00 0.00 N ATOM 1036 CA THR A 74 4.579 -10.282 -2.988 1.00 0.00 C ATOM 1037 C THR A 74 4.153 -11.027 -1.728 1.00 0.00 C ATOM 1038 O THR A 74 4.970 -11.356 -0.867 1.00 0.00 O ATOM 1039 CB THR A 74 5.641 -11.116 -3.729 1.00 0.00 C ATOM 1040 OG1 THR A 74 6.039 -10.445 -4.930 1.00 0.00 O ATOM 1041 CG2 THR A 74 5.105 -12.498 -4.069 1.00 0.00 C ATOM 0 H THR A 74 5.485 -8.865 -1.738 1.00 0.00 H new ATOM 0 HA THR A 74 3.715 -10.148 -3.638 1.00 0.00 H new ATOM 0 HB THR A 74 6.504 -11.230 -3.073 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.715 -10.980 -5.395 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.873 -13.068 -4.592 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.830 -13.017 -3.151 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.227 -12.401 -4.708 1.00 0.00 H new ATOM 1049 N PRO A 75 2.845 -11.301 -1.615 1.00 0.00 N ATOM 1050 CA PRO A 75 2.282 -12.012 -0.463 1.00 0.00 C ATOM 1051 C PRO A 75 2.693 -13.480 -0.430 1.00 0.00 C ATOM 1052 O PRO A 75 2.055 -14.327 -1.055 1.00 0.00 O ATOM 1053 CB PRO A 75 0.772 -11.884 -0.670 1.00 0.00 C ATOM 1054 CG PRO A 75 0.606 -11.703 -2.139 1.00 0.00 C ATOM 1055 CD PRO A 75 1.816 -10.939 -2.602 1.00 0.00 C ATOM 0 HA PRO A 75 2.633 -11.598 0.482 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.247 -12.773 -0.319 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.367 -11.036 -0.118 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.535 -12.666 -2.645 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.310 -11.157 -2.364 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.110 -11.225 -3.612 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.632 -9.865 -2.615 1.00 0.00 H new ATOM 1063 N SER A 76 3.763 -13.775 0.303 1.00 0.00 N ATOM 1064 CA SER A 76 4.260 -15.141 0.414 1.00 0.00 C ATOM 1065 C SER A 76 3.105 -16.136 0.481 1.00 0.00 C ATOM 1066 O SER A 76 3.083 -17.126 -0.249 1.00 0.00 O ATOM 1067 CB SER A 76 5.144 -15.285 1.654 1.00 0.00 C ATOM 1068 OG SER A 76 6.373 -14.598 1.487 1.00 0.00 O ATOM 0 H SER A 76 4.302 -13.086 0.828 1.00 0.00 H new ATOM 0 HA SER A 76 4.853 -15.359 -0.474 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.620 -14.893 2.526 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.337 -16.340 1.846 1.00 0.00 H new ATOM 0 HG SER A 76 6.919 -14.704 2.294 1.00 0.00 H new ATOM 1074 N GLN A 77 2.148 -15.865 1.363 1.00 0.00 N ATOM 1075 CA GLN A 77 0.991 -16.736 1.527 1.00 0.00 C ATOM 1076 C GLN A 77 -0.306 -15.944 1.409 1.00 0.00 C ATOM 1077 O GLN A 77 -0.322 -14.729 1.599 1.00 0.00 O ATOM 1078 CB GLN A 77 1.048 -17.447 2.880 1.00 0.00 C ATOM 1079 CG GLN A 77 0.911 -16.507 4.066 1.00 0.00 C ATOM 1080 CD GLN A 77 1.583 -17.043 5.316 1.00 0.00 C ATOM 1081 OE1 GLN A 77 2.326 -18.023 5.263 1.00 0.00 O ATOM 1082 NE2 GLN A 77 1.324 -16.401 6.449 1.00 0.00 N ATOM 0 H GLN A 77 2.152 -15.049 1.975 1.00 0.00 H new ATOM 0 HA GLN A 77 1.014 -17.482 0.733 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.254 -18.192 2.924 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.993 -17.984 2.960 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.345 -15.540 3.811 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.146 -16.338 4.270 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.702 -15.593 6.446 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.747 -16.716 7.322 1.00 0.00 H new ATOM 1091 N GLU A 78 -1.394 -16.642 1.094 1.00 0.00 N ATOM 1092 CA GLU A 78 -2.696 -16.003 0.950 1.00 0.00 C ATOM 1093 C GLU A 78 -3.321 -15.728 2.315 1.00 0.00 C ATOM 1094 O GLU A 78 -2.823 -16.186 3.342 1.00 0.00 O ATOM 1095 CB GLU A 78 -3.632 -16.883 0.117 1.00 0.00 C ATOM 1096 CG GLU A 78 -3.966 -18.210 0.777 1.00 0.00 C ATOM 1097 CD GLU A 78 -2.950 -19.290 0.463 1.00 0.00 C ATOM 1098 OE1 GLU A 78 -2.279 -19.186 -0.585 1.00 0.00 O ATOM 1099 OE2 GLU A 78 -2.826 -20.239 1.265 1.00 0.00 O ATOM 0 H GLU A 78 -1.398 -17.649 0.934 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.550 -15.052 0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.557 -16.338 -0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.171 -17.074 -0.852 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.021 -18.071 1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.952 -18.537 0.447 1.00 0.00 H new ATOM 1106 N GLY A 79 -4.417 -14.974 2.317 1.00 0.00 N ATOM 1107 CA GLY A 79 -5.091 -14.649 3.560 1.00 0.00 C ATOM 1108 C GLY A 79 -5.380 -13.166 3.692 1.00 0.00 C ATOM 1109 O GLY A 79 -4.981 -12.357 2.855 1.00 0.00 O ATOM 0 H GLY A 79 -4.849 -14.583 1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.027 -15.205 3.619 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.475 -14.972 4.399 1.00 0.00 H new ATOM 1113 N PRO A 80 -6.092 -12.793 4.765 1.00 0.00 N ATOM 1114 CA PRO A 80 -6.452 -11.396 5.029 1.00 0.00 C ATOM 1115 C PRO A 80 -5.243 -10.549 5.413 1.00 0.00 C ATOM 1116 O PRO A 80 -4.978 -10.330 6.596 1.00 0.00 O ATOM 1117 CB PRO A 80 -7.429 -11.497 6.203 1.00 0.00 C ATOM 1118 CG PRO A 80 -7.070 -12.770 6.887 1.00 0.00 C ATOM 1119 CD PRO A 80 -6.601 -13.703 5.805 1.00 0.00 C ATOM 0 HA PRO A 80 -6.872 -10.910 4.148 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.329 -10.645 6.875 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.463 -11.511 5.858 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.288 -12.608 7.628 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.929 -13.185 7.415 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.823 -14.377 6.165 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.414 -14.325 5.431 1.00 0.00 H new ATOM 1127 N TYR A 81 -4.516 -10.074 4.408 1.00 0.00 N ATOM 1128 CA TYR A 81 -3.334 -9.253 4.642 1.00 0.00 C ATOM 1129 C TYR A 81 -3.727 -7.821 4.992 1.00 0.00 C ATOM 1130 O TYR A 81 -4.897 -7.447 4.902 1.00 0.00 O ATOM 1131 CB TYR A 81 -2.432 -9.258 3.406 1.00 0.00 C ATOM 1132 CG TYR A 81 -1.382 -10.346 3.428 1.00 0.00 C ATOM 1133 CD1 TYR A 81 -1.726 -11.665 3.699 1.00 0.00 C ATOM 1134 CD2 TYR A 81 -0.046 -10.056 3.180 1.00 0.00 C ATOM 1135 CE1 TYR A 81 -0.771 -12.663 3.721 1.00 0.00 C ATOM 1136 CE2 TYR A 81 0.916 -11.046 3.198 1.00 0.00 C ATOM 1137 CZ TYR A 81 0.548 -12.348 3.469 1.00 0.00 C ATOM 1138 OH TYR A 81 1.505 -13.338 3.490 1.00 0.00 O ATOM 0 H TYR A 81 -4.724 -10.243 3.424 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.788 -9.678 5.485 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.050 -9.379 2.516 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.938 -8.290 3.323 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.758 -11.914 3.896 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.245 -9.038 2.969 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.055 -13.683 3.934 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.950 -10.803 3.001 1.00 0.00 H new ATOM 0 HH TYR A 81 2.382 -12.949 3.291 1.00 0.00 H new ATOM 1148 N MET A 82 -2.741 -7.024 5.390 1.00 0.00 N ATOM 1149 CA MET A 82 -2.982 -5.633 5.753 1.00 0.00 C ATOM 1150 C MET A 82 -1.818 -4.748 5.317 1.00 0.00 C ATOM 1151 O MET A 82 -0.685 -4.934 5.759 1.00 0.00 O ATOM 1152 CB MET A 82 -3.197 -5.506 7.262 1.00 0.00 C ATOM 1153 CG MET A 82 -3.515 -4.090 7.715 1.00 0.00 C ATOM 1154 SD MET A 82 -4.125 -4.022 9.410 1.00 0.00 S ATOM 1155 CE MET A 82 -2.653 -3.491 10.279 1.00 0.00 C ATOM 0 H MET A 82 -1.767 -7.318 5.469 1.00 0.00 H new ATOM 0 HA MET A 82 -3.882 -5.300 5.237 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.012 -6.166 7.561 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.301 -5.851 7.778 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.618 -3.476 7.631 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.261 -3.658 7.047 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.871 -3.402 11.343 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.859 -4.223 10.131 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.331 -2.524 9.893 1.00 0.00 H new ATOM 1165 N VAL A 83 -2.106 -3.785 4.447 1.00 0.00 N ATOM 1166 CA VAL A 83 -1.084 -2.871 3.952 1.00 0.00 C ATOM 1167 C VAL A 83 -1.204 -1.502 4.612 1.00 0.00 C ATOM 1168 O VAL A 83 -2.038 -0.685 4.224 1.00 0.00 O ATOM 1169 CB VAL A 83 -1.175 -2.701 2.424 1.00 0.00 C ATOM 1170 CG1 VAL A 83 -0.134 -1.707 1.934 1.00 0.00 C ATOM 1171 CG2 VAL A 83 -1.011 -4.044 1.728 1.00 0.00 C ATOM 0 H VAL A 83 -3.039 -3.618 4.071 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.119 -3.310 4.205 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.161 -2.308 2.178 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.214 -1.600 0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.303 -0.740 2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.862 -2.067 2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.078 -3.905 0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.039 -4.468 1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.799 -4.722 2.056 1.00 0.00 H new ATOM 1181 N SER A 84 -0.364 -1.259 5.613 1.00 0.00 N ATOM 1182 CA SER A 84 -0.378 0.010 6.331 1.00 0.00 C ATOM 1183 C SER A 84 0.451 1.059 5.596 1.00 0.00 C ATOM 1184 O SER A 84 1.538 0.769 5.094 1.00 0.00 O ATOM 1185 CB SER A 84 0.161 -0.177 7.751 1.00 0.00 C ATOM 1186 OG SER A 84 0.309 1.070 8.409 1.00 0.00 O ATOM 0 H SER A 84 0.335 -1.924 5.945 1.00 0.00 H new ATOM 0 HA SER A 84 -1.410 0.358 6.384 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.517 -0.814 8.320 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.123 -0.689 7.714 1.00 0.00 H new ATOM 0 HG SER A 84 0.653 0.923 9.315 1.00 0.00 H new ATOM 1192 N VAL A 85 -0.070 2.280 5.537 1.00 0.00 N ATOM 1193 CA VAL A 85 0.620 3.374 4.864 1.00 0.00 C ATOM 1194 C VAL A 85 0.610 4.638 5.717 1.00 0.00 C ATOM 1195 O VAL A 85 -0.384 4.948 6.377 1.00 0.00 O ATOM 1196 CB VAL A 85 -0.019 3.685 3.497 1.00 0.00 C ATOM 1197 CG1 VAL A 85 0.696 4.848 2.825 1.00 0.00 C ATOM 1198 CG2 VAL A 85 0.000 2.451 2.608 1.00 0.00 C ATOM 0 H VAL A 85 -0.968 2.537 5.947 1.00 0.00 H new ATOM 0 HA VAL A 85 1.650 3.051 4.710 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.058 3.973 3.658 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.231 5.053 1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.625 5.733 3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.745 4.592 2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.455 2.688 1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.030 2.130 2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.561 1.649 3.087 1.00 0.00 H new ATOM 1208 N LYS A 86 1.720 5.366 5.699 1.00 0.00 N ATOM 1209 CA LYS A 86 1.840 6.599 6.469 1.00 0.00 C ATOM 1210 C LYS A 86 2.364 7.736 5.598 1.00 0.00 C ATOM 1211 O LYS A 86 2.826 7.511 4.479 1.00 0.00 O ATOM 1212 CB LYS A 86 2.771 6.388 7.665 1.00 0.00 C ATOM 1213 CG LYS A 86 2.408 7.233 8.874 1.00 0.00 C ATOM 1214 CD LYS A 86 3.261 6.877 10.080 1.00 0.00 C ATOM 1215 CE LYS A 86 2.743 7.542 11.346 1.00 0.00 C ATOM 1216 NZ LYS A 86 3.820 7.721 12.359 1.00 0.00 N ATOM 0 H LYS A 86 2.551 5.124 5.159 1.00 0.00 H new ATOM 0 HA LYS A 86 0.848 6.870 6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.752 5.336 7.949 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.793 6.619 7.364 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.538 8.288 8.634 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.355 7.089 9.117 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.270 5.795 10.214 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.291 7.185 9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.314 8.512 11.097 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.941 6.938 11.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.510 7.324 13.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.680 7.230 12.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.023 8.734 12.475 1.00 0.00 H new ATOM 1230 N TYR A 87 2.291 8.956 6.118 1.00 0.00 N ATOM 1231 CA TYR A 87 2.757 10.128 5.387 1.00 0.00 C ATOM 1232 C TYR A 87 3.176 11.238 6.346 1.00 0.00 C ATOM 1233 O TYR A 87 2.337 11.863 6.995 1.00 0.00 O ATOM 1234 CB TYR A 87 1.663 10.637 4.447 1.00 0.00 C ATOM 1235 CG TYR A 87 2.194 11.426 3.271 1.00 0.00 C ATOM 1236 CD1 TYR A 87 2.862 10.793 2.231 1.00 0.00 C ATOM 1237 CD2 TYR A 87 2.028 12.804 3.202 1.00 0.00 C ATOM 1238 CE1 TYR A 87 3.350 11.510 1.154 1.00 0.00 C ATOM 1239 CE2 TYR A 87 2.510 13.528 2.129 1.00 0.00 C ATOM 1240 CZ TYR A 87 3.171 12.877 1.108 1.00 0.00 C ATOM 1241 OH TYR A 87 3.655 13.595 0.038 1.00 0.00 O ATOM 0 H TYR A 87 1.913 9.159 7.043 1.00 0.00 H new ATOM 0 HA TYR A 87 3.626 9.835 4.798 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.091 9.787 4.075 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.973 11.263 5.012 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.003 9.723 2.264 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.513 13.317 4.001 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.868 11.003 0.354 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.370 14.598 2.090 1.00 0.00 H new ATOM 0 HH TYR A 87 4.635 13.592 0.058 1.00 0.00 H new ATOM 1251 N ALA A 88 4.480 11.477 6.431 1.00 0.00 N ATOM 1252 CA ALA A 88 5.012 12.512 7.308 1.00 0.00 C ATOM 1253 C ALA A 88 4.704 12.205 8.770 1.00 0.00 C ATOM 1254 O ALA A 88 4.327 13.092 9.535 1.00 0.00 O ATOM 1255 CB ALA A 88 4.447 13.872 6.923 1.00 0.00 C ATOM 0 H ALA A 88 5.188 10.967 5.903 1.00 0.00 H new ATOM 0 HA ALA A 88 6.095 12.533 7.188 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.853 14.636 7.586 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.722 14.102 5.894 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.361 13.853 7.013 1.00 0.00 H new ATOM 1261 N ASP A 89 4.867 10.943 9.151 1.00 0.00 N ATOM 1262 CA ASP A 89 4.606 10.518 10.522 1.00 0.00 C ATOM 1263 C ASP A 89 3.136 10.713 10.881 1.00 0.00 C ATOM 1264 O ASP A 89 2.805 11.049 12.017 1.00 0.00 O ATOM 1265 CB ASP A 89 5.489 11.297 11.497 1.00 0.00 C ATOM 1266 CG ASP A 89 6.892 10.728 11.590 1.00 0.00 C ATOM 1267 OD1 ASP A 89 7.468 10.392 10.532 1.00 0.00 O ATOM 1268 OD2 ASP A 89 7.414 10.618 12.718 1.00 0.00 O ATOM 0 H ASP A 89 5.179 10.196 8.530 1.00 0.00 H new ATOM 0 HA ASP A 89 4.843 9.457 10.598 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.543 12.339 11.181 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.030 11.287 12.486 1.00 0.00 H new ATOM 1273 N GLU A 90 2.260 10.502 9.904 1.00 0.00 N ATOM 1274 CA GLU A 90 0.826 10.656 10.117 1.00 0.00 C ATOM 1275 C GLU A 90 0.040 9.644 9.289 1.00 0.00 C ATOM 1276 O GLU A 90 -0.093 9.791 8.074 1.00 0.00 O ATOM 1277 CB GLU A 90 0.385 12.077 9.759 1.00 0.00 C ATOM 1278 CG GLU A 90 1.010 13.148 10.637 1.00 0.00 C ATOM 1279 CD GLU A 90 0.236 14.451 10.609 1.00 0.00 C ATOM 1280 OE1 GLU A 90 -1.002 14.403 10.458 1.00 0.00 O ATOM 1281 OE2 GLU A 90 0.869 15.519 10.738 1.00 0.00 O ATOM 0 H GLU A 90 2.518 10.224 8.957 1.00 0.00 H new ATOM 0 HA GLU A 90 0.620 10.474 11.172 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.642 12.277 8.719 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.700 12.142 9.838 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.065 12.785 11.663 1.00 0.00 H new ATOM 0 HG3 GLU A 90 2.033 13.330 10.308 1.00 0.00 H new ATOM 1288 N GLU A 91 -0.477 8.617 9.956 1.00 0.00 N ATOM 1289 CA GLU A 91 -1.249 7.580 9.281 1.00 0.00 C ATOM 1290 C GLU A 91 -2.359 8.193 8.433 1.00 0.00 C ATOM 1291 O GLU A 91 -3.217 8.915 8.942 1.00 0.00 O ATOM 1292 CB GLU A 91 -1.848 6.612 10.303 1.00 0.00 C ATOM 1293 CG GLU A 91 -0.980 5.395 10.572 1.00 0.00 C ATOM 1294 CD GLU A 91 -1.175 4.835 11.967 1.00 0.00 C ATOM 1295 OE1 GLU A 91 -2.310 4.423 12.287 1.00 0.00 O ATOM 1296 OE2 GLU A 91 -0.195 4.807 12.739 1.00 0.00 O ATOM 0 H GLU A 91 -0.376 8.481 10.962 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.575 7.031 8.624 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.014 7.143 11.240 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.824 6.280 9.948 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.209 4.621 9.839 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.068 5.664 10.436 1.00 0.00 H new ATOM 1303 N ILE A 92 -2.335 7.899 7.136 1.00 0.00 N ATOM 1304 CA ILE A 92 -3.340 8.421 6.218 1.00 0.00 C ATOM 1305 C ILE A 92 -4.741 7.976 6.625 1.00 0.00 C ATOM 1306 O ILE A 92 -4.931 6.937 7.256 1.00 0.00 O ATOM 1307 CB ILE A 92 -3.070 7.966 4.771 1.00 0.00 C ATOM 1308 CG1 ILE A 92 -3.189 6.445 4.661 1.00 0.00 C ATOM 1309 CG2 ILE A 92 -1.693 8.429 4.319 1.00 0.00 C ATOM 1310 CD1 ILE A 92 -3.300 5.949 3.236 1.00 0.00 C ATOM 0 H ILE A 92 -1.632 7.303 6.699 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.278 9.508 6.267 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.817 8.418 4.118 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.319 5.986 5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.064 6.116 5.221 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.517 8.100 3.295 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.642 9.517 4.365 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.933 8.002 4.973 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.381 4.862 3.234 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.186 6.380 2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.413 6.248 2.677 1.00 0.00 H new ATOM 1322 N PRO A 93 -5.748 8.782 6.253 1.00 0.00 N ATOM 1323 CA PRO A 93 -7.149 8.490 6.567 1.00 0.00 C ATOM 1324 C PRO A 93 -7.684 7.298 5.783 1.00 0.00 C ATOM 1325 O PRO A 93 -8.873 6.985 5.844 1.00 0.00 O ATOM 1326 CB PRO A 93 -7.878 9.773 6.154 1.00 0.00 C ATOM 1327 CG PRO A 93 -7.006 10.386 5.114 1.00 0.00 C ATOM 1328 CD PRO A 93 -5.595 10.036 5.500 1.00 0.00 C ATOM 0 HA PRO A 93 -7.285 8.223 7.615 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.871 9.555 5.760 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.012 10.443 7.003 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.248 9.999 4.124 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.144 11.467 5.076 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.960 9.904 4.624 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.140 10.817 6.109 1.00 0.00 H new ATOM 1336 N ARG A 94 -6.798 6.635 5.046 1.00 0.00 N ATOM 1337 CA ARG A 94 -7.182 5.476 4.249 1.00 0.00 C ATOM 1338 C ARG A 94 -6.381 4.244 4.660 1.00 0.00 C ATOM 1339 O ARG A 94 -6.429 3.210 3.995 1.00 0.00 O ATOM 1340 CB ARG A 94 -6.971 5.762 2.761 1.00 0.00 C ATOM 1341 CG ARG A 94 -7.832 6.896 2.230 1.00 0.00 C ATOM 1342 CD ARG A 94 -8.143 6.715 0.753 1.00 0.00 C ATOM 1343 NE ARG A 94 -9.427 7.307 0.387 1.00 0.00 N ATOM 1344 CZ ARG A 94 -9.662 8.616 0.394 1.00 0.00 C ATOM 1345 NH1 ARG A 94 -8.704 9.462 0.746 1.00 0.00 N ATOM 1346 NH2 ARG A 94 -10.856 9.077 0.049 1.00 0.00 N ATOM 0 H ARG A 94 -5.810 6.881 4.984 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.239 5.277 4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.922 6.004 2.592 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.185 4.857 2.192 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.763 6.943 2.796 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.319 7.846 2.381 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.351 7.170 0.158 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.152 5.652 0.512 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.185 6.682 0.111 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -7.785 9.109 1.012 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -8.886 10.466 0.751 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.595 8.428 -0.222 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.036 10.081 0.054 1.00 0.00 H new ATOM 1360 N SER A 95 -5.645 4.363 5.761 1.00 0.00 N ATOM 1361 CA SER A 95 -4.830 3.261 6.258 1.00 0.00 C ATOM 1362 C SER A 95 -5.237 2.883 7.678 1.00 0.00 C ATOM 1363 O SER A 95 -5.759 3.697 8.441 1.00 0.00 O ATOM 1364 CB SER A 95 -3.348 3.638 6.224 1.00 0.00 C ATOM 1365 OG SER A 95 -2.637 3.010 7.277 1.00 0.00 O ATOM 0 H SER A 95 -5.597 5.211 6.325 1.00 0.00 H new ATOM 0 HA SER A 95 -4.993 2.400 5.610 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.917 3.347 5.266 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.243 4.720 6.305 1.00 0.00 H new ATOM 0 HG SER A 95 -1.891 3.582 7.555 1.00 0.00 H new ATOM 1371 N PRO A 96 -4.996 1.614 8.045 1.00 0.00 N ATOM 1372 CA PRO A 96 -4.376 0.636 7.146 1.00 0.00 C ATOM 1373 C PRO A 96 -5.301 0.232 6.003 1.00 0.00 C ATOM 1374 O PRO A 96 -6.450 0.667 5.938 1.00 0.00 O ATOM 1375 CB PRO A 96 -4.101 -0.561 8.060 1.00 0.00 C ATOM 1376 CG PRO A 96 -5.101 -0.436 9.158 1.00 0.00 C ATOM 1377 CD PRO A 96 -5.308 1.039 9.363 1.00 0.00 C ATOM 0 HA PRO A 96 -3.484 1.034 6.663 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.217 -1.503 7.524 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.082 -0.538 8.447 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.036 -0.928 8.892 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.740 -0.910 10.071 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.331 1.263 9.667 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.651 1.433 10.139 1.00 0.00 H new ATOM 1385 N PHE A 97 -4.791 -0.603 5.103 1.00 0.00 N ATOM 1386 CA PHE A 97 -5.571 -1.065 3.961 1.00 0.00 C ATOM 1387 C PHE A 97 -5.834 -2.565 4.054 1.00 0.00 C ATOM 1388 O PHE A 97 -4.922 -3.353 4.305 1.00 0.00 O ATOM 1389 CB PHE A 97 -4.843 -0.743 2.655 1.00 0.00 C ATOM 1390 CG PHE A 97 -4.820 0.723 2.327 1.00 0.00 C ATOM 1391 CD1 PHE A 97 -5.867 1.307 1.631 1.00 0.00 C ATOM 1392 CD2 PHE A 97 -3.752 1.516 2.715 1.00 0.00 C ATOM 1393 CE1 PHE A 97 -5.849 2.656 1.329 1.00 0.00 C ATOM 1394 CE2 PHE A 97 -3.730 2.865 2.415 1.00 0.00 C ATOM 1395 CZ PHE A 97 -4.778 3.436 1.720 1.00 0.00 C ATOM 0 H PHE A 97 -3.841 -0.973 5.143 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.529 -0.545 3.972 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.818 -1.109 2.720 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.323 -1.282 1.838 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.706 0.702 1.321 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.928 1.076 3.257 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.672 3.100 0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.893 3.473 2.724 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.760 4.489 1.483 1.00 0.00 H new ATOM 1405 N LYS A 98 -7.088 -2.954 3.849 1.00 0.00 N ATOM 1406 CA LYS A 98 -7.473 -4.360 3.908 1.00 0.00 C ATOM 1407 C LYS A 98 -7.284 -5.033 2.552 1.00 0.00 C ATOM 1408 O LYS A 98 -7.997 -4.734 1.595 1.00 0.00 O ATOM 1409 CB LYS A 98 -8.930 -4.492 4.356 1.00 0.00 C ATOM 1410 CG LYS A 98 -9.918 -3.824 3.416 1.00 0.00 C ATOM 1411 CD LYS A 98 -11.154 -3.341 4.157 1.00 0.00 C ATOM 1412 CE LYS A 98 -12.095 -4.491 4.480 1.00 0.00 C ATOM 1413 NZ LYS A 98 -13.070 -4.736 3.381 1.00 0.00 N ATOM 0 H LYS A 98 -7.855 -2.315 3.640 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.829 -4.857 4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.181 -5.549 4.442 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.036 -4.058 5.350 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.437 -2.981 2.921 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.212 -4.527 2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.855 -2.844 5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -11.677 -2.601 3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.514 -5.396 4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.634 -4.271 5.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.693 -5.527 3.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.642 -3.881 3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.557 -4.971 2.508 1.00 0.00 H new ATOM 1427 N VAL A 99 -6.319 -5.944 2.478 1.00 0.00 N ATOM 1428 CA VAL A 99 -6.037 -6.661 1.240 1.00 0.00 C ATOM 1429 C VAL A 99 -6.128 -8.170 1.447 1.00 0.00 C ATOM 1430 O VAL A 99 -5.210 -8.790 1.983 1.00 0.00 O ATOM 1431 CB VAL A 99 -4.641 -6.313 0.694 1.00 0.00 C ATOM 1432 CG1 VAL A 99 -4.332 -7.135 -0.547 1.00 0.00 C ATOM 1433 CG2 VAL A 99 -4.543 -4.824 0.395 1.00 0.00 C ATOM 0 H VAL A 99 -5.719 -6.203 3.261 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.789 -6.349 0.516 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.901 -6.558 1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.341 -6.875 -0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.359 -8.196 -0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.075 -6.925 -1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.549 -4.595 0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.292 -4.552 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.717 -4.257 1.310 1.00 0.00 H new ATOM 1443 N LYS A 100 -7.241 -8.754 1.019 1.00 0.00 N ATOM 1444 CA LYS A 100 -7.453 -10.191 1.153 1.00 0.00 C ATOM 1445 C LYS A 100 -6.824 -10.945 -0.013 1.00 0.00 C ATOM 1446 O LYS A 100 -7.398 -11.017 -1.100 1.00 0.00 O ATOM 1447 CB LYS A 100 -8.949 -10.501 1.229 1.00 0.00 C ATOM 1448 CG LYS A 100 -9.260 -11.987 1.284 1.00 0.00 C ATOM 1449 CD LYS A 100 -10.733 -12.240 1.561 1.00 0.00 C ATOM 1450 CE LYS A 100 -11.561 -12.164 0.287 1.00 0.00 C ATOM 1451 NZ LYS A 100 -12.949 -12.660 0.498 1.00 0.00 N ATOM 0 H LYS A 100 -8.012 -8.254 0.576 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.973 -10.520 2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.367 -10.018 2.112 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.446 -10.066 0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.982 -12.453 0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.657 -12.457 2.061 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.855 -13.222 2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.100 -11.507 2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -11.593 -11.133 -0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -11.080 -12.752 -0.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -13.481 -12.592 -0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -12.920 -13.652 0.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -13.417 -12.083 1.226 1.00 0.00 H new ATOM 1465 N VAL A 101 -5.643 -11.508 0.219 1.00 0.00 N ATOM 1466 CA VAL A 101 -4.938 -12.260 -0.812 1.00 0.00 C ATOM 1467 C VAL A 101 -5.630 -13.589 -1.093 1.00 0.00 C ATOM 1468 O VAL A 101 -6.234 -14.187 -0.202 1.00 0.00 O ATOM 1469 CB VAL A 101 -3.476 -12.530 -0.409 1.00 0.00 C ATOM 1470 CG1 VAL A 101 -2.765 -13.334 -1.486 1.00 0.00 C ATOM 1471 CG2 VAL A 101 -2.747 -11.222 -0.139 1.00 0.00 C ATOM 0 H VAL A 101 -5.154 -11.458 1.113 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.951 -11.649 -1.714 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.473 -13.117 0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.734 -13.515 -1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.275 -14.287 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.776 -12.777 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.716 -11.432 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.758 -10.607 -1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.244 -10.689 0.671 1.00 0.00 H new ATOM 1481 N LEU A 102 -5.538 -14.045 -2.337 1.00 0.00 N ATOM 1482 CA LEU A 102 -6.155 -15.305 -2.737 1.00 0.00 C ATOM 1483 C LEU A 102 -5.095 -16.336 -3.109 1.00 0.00 C ATOM 1484 O LEU A 102 -3.973 -16.000 -3.490 1.00 0.00 O ATOM 1485 CB LEU A 102 -7.101 -15.079 -3.918 1.00 0.00 C ATOM 1486 CG LEU A 102 -8.432 -14.401 -3.593 1.00 0.00 C ATOM 1487 CD1 LEU A 102 -9.133 -13.960 -4.868 1.00 0.00 C ATOM 1488 CD2 LEU A 102 -9.324 -15.337 -2.789 1.00 0.00 C ATOM 0 H LEU A 102 -5.042 -13.562 -3.086 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.725 -15.688 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.582 -14.476 -4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.311 -16.044 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.229 -13.516 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.078 -13.480 -4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.500 -13.255 -5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.324 -14.829 -5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.267 -14.838 -2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.519 -16.240 -3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.825 -15.603 -1.857 1.00 0.00 H new ATOM 1500 N PRO A 103 -5.457 -17.623 -2.999 1.00 0.00 N ATOM 1501 CA PRO A 103 -4.552 -18.731 -3.323 1.00 0.00 C ATOM 1502 C PRO A 103 -4.274 -18.835 -4.818 1.00 0.00 C ATOM 1503 O PRO A 103 -5.193 -18.990 -5.623 1.00 0.00 O ATOM 1504 CB PRO A 103 -5.313 -19.965 -2.833 1.00 0.00 C ATOM 1505 CG PRO A 103 -6.748 -19.565 -2.873 1.00 0.00 C ATOM 1506 CD PRO A 103 -6.778 -18.097 -2.552 1.00 0.00 C ATOM 0 HA PRO A 103 -3.573 -18.606 -2.861 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.124 -20.827 -3.473 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.008 -20.244 -1.825 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.180 -19.759 -3.855 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.332 -20.134 -2.150 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.586 -17.587 -3.076 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.929 -17.922 -1.487 1.00 0.00 H new ATOM 1514 N THR A 104 -2.999 -18.748 -5.186 1.00 0.00 N ATOM 1515 CA THR A 104 -2.600 -18.831 -6.585 1.00 0.00 C ATOM 1516 C THR A 104 -3.506 -19.783 -7.360 1.00 0.00 C ATOM 1517 O THR A 104 -3.797 -19.559 -8.535 1.00 0.00 O ATOM 1518 CB THR A 104 -1.141 -19.301 -6.726 1.00 0.00 C ATOM 1519 OG1 THR A 104 -0.261 -18.366 -6.091 1.00 0.00 O ATOM 1520 CG2 THR A 104 -0.758 -19.451 -8.191 1.00 0.00 C ATOM 0 H THR A 104 -2.225 -18.620 -4.534 1.00 0.00 H new ATOM 0 HA THR A 104 -2.692 -17.827 -7.000 1.00 0.00 H new ATOM 0 HB THR A 104 -1.048 -20.273 -6.242 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.614 -17.458 -6.200 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.277 -19.784 -8.264 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.410 -20.186 -8.664 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.867 -18.491 -8.696 1.00 0.00 H new ATOM 1528 N TYR A 105 -3.948 -20.844 -6.694 1.00 0.00 N ATOM 1529 CA TYR A 105 -4.819 -21.830 -7.321 1.00 0.00 C ATOM 1530 C TYR A 105 -6.249 -21.702 -6.804 1.00 0.00 C ATOM 1531 O TYR A 105 -6.481 -21.190 -5.708 1.00 0.00 O ATOM 1532 CB TYR A 105 -4.295 -23.243 -7.058 1.00 0.00 C ATOM 1533 CG TYR A 105 -3.223 -23.682 -8.030 1.00 0.00 C ATOM 1534 CD1 TYR A 105 -1.904 -23.277 -7.868 1.00 0.00 C ATOM 1535 CD2 TYR A 105 -3.529 -24.500 -9.110 1.00 0.00 C ATOM 1536 CE1 TYR A 105 -0.921 -23.675 -8.754 1.00 0.00 C ATOM 1537 CE2 TYR A 105 -2.552 -24.905 -10.000 1.00 0.00 C ATOM 1538 CZ TYR A 105 -1.250 -24.488 -9.817 1.00 0.00 C ATOM 1539 OH TYR A 105 -0.274 -24.887 -10.701 1.00 0.00 O ATOM 0 H TYR A 105 -3.717 -21.043 -5.721 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.822 -21.644 -8.395 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -3.896 -23.291 -6.045 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -5.127 -23.945 -7.107 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -1.642 -22.640 -7.036 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -4.548 -24.825 -9.257 1.00 0.00 H new ATOM 0 HE1 TYR A 105 0.100 -23.351 -8.614 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -2.806 -25.544 -10.833 1.00 0.00 H new ATOM 0 HH TYR A 105 -0.672 -25.457 -11.392 1.00 0.00 H new