USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 717 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 45 LYS NZ :NH3+ 171:sc= 2.16 (180deg=2.04) USER MOD Set 1.2: A 59 MET CE :methyl -142:sc= -0.0788 (180deg=-1.66!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 155:sc= 0.608! (180deg=0.256!) USER MOD Single : A 25 LYS NZ :NH3+ -172:sc= 1.29 (180deg=1.19) USER MOD Single : A 29 GLN : amide:sc= 0.0754 X(o=0.075,f=-0.26) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -86:sc= 1.15 USER MOD Single : A 35 HIS : no HD1:sc= -0.163 K(o=-0.16,f=-6.5!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -138:sc= 0 (180deg=-0.151) USER MOD Single : A 41 THR OG1 : rot -41:sc= 0.00617 USER MOD Single : A 42 THR OG1 : rot 180:sc=0.000326 USER MOD Single : A 43 HIS : no HD1:sc= 0.0953 K(o=0.095,f=-2.9!) USER MOD Single : A 46 LYS NZ :NH3+ -158:sc= 1.29 (180deg=1.24) USER MOD Single : A 48 LYS NZ :NH3+ 158:sc= 2.32 (180deg=2.25) USER MOD Single : A 50 SER OG : rot 90:sc= 1.33 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 78:sc= -0.277 USER MOD Single : A 53 GLN : amide:sc=-0.00308 K(o=-0.0031,f=-0.94) USER MOD Single : A 55 GLN : amide:sc= -0.673 K(o=-0.67,f=-1.8) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.25) USER MOD Single : A 61 SER OG : rot 112:sc= 0.769 USER MOD Single : A 69 GLN : amide:sc= -0.115 K(o=-0.12,f=-1.8!) USER MOD Single : A 74 ASN : amide:sc= -0.0232 X(o=-0.023,f=-0.018) USER MOD Single : A 75 HIS : no HD1:sc= 0.703 K(o=0.7,f=-5.6!) USER MOD Single : A 76 THR OG1 : rot 63:sc= 1.2 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot -175:sc= 1.26 USER MOD Single : A 92 GLN : amide:sc= 0.626 K(o=0.63,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0726 USER MOD Single : B 357 ASN : amide:sc= -0.274 K(o=-0.27,f=0.99) USER MOD Single : B 358 ASN : amide:sc= -0.211 K(o=-0.21,f=-2.6!) USER MOD Single : B 365 SER OG : rot 180:sc= 0 USER MOD Single : B 367 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 14.785 -5.839 -1.065 1.00 10.00 N ATOM 2 CA TYR A 21 13.623 -4.937 -1.194 1.00 10.00 C ATOM 3 C TYR A 21 12.696 -5.100 0.000 1.00 10.00 C ATOM 4 O TYR A 21 12.951 -5.926 0.876 1.00 10.00 O ATOM 5 CB TYR A 21 12.865 -5.231 -2.490 1.00 10.00 C ATOM 6 CG TYR A 21 13.491 -4.607 -3.717 1.00 10.00 C ATOM 7 CD1 TYR A 21 13.152 -3.319 -4.110 1.00 10.00 C ATOM 8 CD2 TYR A 21 14.415 -5.305 -4.485 1.00 10.00 C ATOM 9 CE1 TYR A 21 13.717 -2.743 -5.231 1.00 10.00 C ATOM 10 CE2 TYR A 21 14.985 -4.733 -5.607 1.00 10.00 C ATOM 11 CZ TYR A 21 14.631 -3.453 -5.976 1.00 10.00 C ATOM 12 OH TYR A 21 15.193 -2.881 -7.092 1.00 10.00 O ATOM 0 HA TYR A 21 13.983 -3.908 -1.223 1.00 10.00 H new ATOM 0 HB2 TYR A 21 12.809 -6.310 -2.631 1.00 10.00 H new ATOM 0 HB3 TYR A 21 11.841 -4.869 -2.392 1.00 10.00 H new ATOM 0 HD1 TYR A 21 12.435 -2.758 -3.529 1.00 10.00 H new ATOM 0 HD2 TYR A 21 14.692 -6.310 -4.201 1.00 10.00 H new ATOM 0 HE1 TYR A 21 13.443 -1.740 -5.522 1.00 10.00 H new ATOM 0 HE2 TYR A 21 15.705 -5.287 -6.192 1.00 10.00 H new ATOM 0 HH TYR A 21 15.818 -3.513 -7.504 1.00 10.00 H new ATOM 22 N ILE A 22 11.633 -4.309 0.040 1.00 10.00 N ATOM 23 CA ILE A 22 10.670 -4.379 1.128 1.00 10.00 C ATOM 24 C ILE A 22 9.350 -4.925 0.603 1.00 10.00 C ATOM 25 O ILE A 22 8.782 -4.381 -0.339 1.00 10.00 O ATOM 26 CB ILE A 22 10.426 -2.993 1.768 1.00 10.00 C ATOM 27 CG1 ILE A 22 11.755 -2.300 2.095 1.00 10.00 C ATOM 28 CG2 ILE A 22 9.572 -3.130 3.021 1.00 10.00 C ATOM 29 CD1 ILE A 22 12.607 -3.038 3.111 1.00 10.00 C ATOM 0 H ILE A 22 11.416 -3.610 -0.671 1.00 10.00 H new ATOM 0 HA ILE A 22 11.079 -5.039 1.893 1.00 10.00 H new ATOM 0 HB ILE A 22 9.890 -2.374 1.048 1.00 10.00 H new ATOM 0 HG12 ILE A 22 12.327 -2.183 1.175 1.00 10.00 H new ATOM 0 HG13 ILE A 22 11.547 -1.298 2.471 1.00 10.00 H new ATOM 0 HG21 ILE A 22 9.409 -2.146 3.460 1.00 10.00 H new ATOM 0 HG22 ILE A 22 8.611 -3.574 2.760 1.00 10.00 H new ATOM 0 HG23 ILE A 22 10.083 -3.768 3.742 1.00 10.00 H new ATOM 0 HD11 ILE A 22 13.528 -2.482 3.286 1.00 10.00 H new ATOM 0 HD12 ILE A 22 12.057 -3.132 4.047 1.00 10.00 H new ATOM 0 HD13 ILE A 22 12.849 -4.030 2.731 1.00 10.00 H new ATOM 41 N LYS A 23 8.872 -6.003 1.191 1.00 10.00 N ATOM 42 CA LYS A 23 7.624 -6.602 0.749 1.00 10.00 C ATOM 43 C LYS A 23 6.517 -6.376 1.769 1.00 10.00 C ATOM 44 O LYS A 23 6.601 -6.840 2.909 1.00 10.00 O ATOM 45 CB LYS A 23 7.819 -8.094 0.495 1.00 10.00 C ATOM 46 CG LYS A 23 6.778 -8.700 -0.429 1.00 10.00 C ATOM 47 CD LYS A 23 6.965 -10.202 -0.573 1.00 10.00 C ATOM 48 CE LYS A 23 6.468 -10.950 0.653 1.00 10.00 C ATOM 49 NZ LYS A 23 7.525 -11.130 1.683 1.00 10.00 N ATOM 0 H LYS A 23 9.323 -6.481 1.971 1.00 10.00 H new ATOM 0 HA LYS A 23 7.325 -6.121 -0.182 1.00 10.00 H new ATOM 0 HB2 LYS A 23 8.808 -8.254 0.066 1.00 10.00 H new ATOM 0 HB3 LYS A 23 7.796 -8.621 1.449 1.00 10.00 H new ATOM 0 HG2 LYS A 23 5.781 -8.492 -0.041 1.00 10.00 H new ATOM 0 HG3 LYS A 23 6.843 -8.229 -1.410 1.00 10.00 H new ATOM 0 HD2 LYS A 23 6.429 -10.553 -1.455 1.00 10.00 H new ATOM 0 HD3 LYS A 23 8.020 -10.424 -0.732 1.00 10.00 H new ATOM 0 HE2 LYS A 23 5.630 -10.407 1.090 1.00 10.00 H new ATOM 0 HE3 LYS A 23 6.092 -11.927 0.350 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 7.083 -11.242 2.618 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 8.085 -11.978 1.461 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 8.147 -10.297 1.691 1.00 10.00 H new ATOM 63 N LEU A 24 5.484 -5.661 1.352 1.00 10.00 N ATOM 64 CA LEU A 24 4.351 -5.362 2.213 1.00 10.00 C ATOM 65 C LEU A 24 3.168 -6.246 1.845 1.00 10.00 C ATOM 66 O LEU A 24 2.953 -6.549 0.668 1.00 10.00 O ATOM 67 CB LEU A 24 3.966 -3.884 2.091 1.00 10.00 C ATOM 68 CG LEU A 24 5.050 -2.888 2.515 1.00 10.00 C ATOM 69 CD1 LEU A 24 4.631 -1.467 2.173 1.00 10.00 C ATOM 70 CD2 LEU A 24 5.338 -3.009 4.004 1.00 10.00 C ATOM 0 H LEU A 24 5.407 -5.273 0.412 1.00 10.00 H new ATOM 0 HA LEU A 24 4.633 -5.564 3.246 1.00 10.00 H new ATOM 0 HB2 LEU A 24 3.694 -3.681 1.055 1.00 10.00 H new ATOM 0 HB3 LEU A 24 3.076 -3.706 2.695 1.00 10.00 H new ATOM 0 HG LEU A 24 5.962 -3.123 1.967 1.00 10.00 H new ATOM 0 HD11 LEU A 24 5.413 -0.773 2.481 1.00 10.00 H new ATOM 0 HD12 LEU A 24 4.474 -1.383 1.098 1.00 10.00 H new ATOM 0 HD13 LEU A 24 3.705 -1.225 2.695 1.00 10.00 H new ATOM 0 HD21 LEU A 24 6.111 -2.293 4.285 1.00 10.00 H new ATOM 0 HD22 LEU A 24 4.429 -2.802 4.568 1.00 10.00 H new ATOM 0 HD23 LEU A 24 5.681 -4.019 4.227 1.00 10.00 H new ATOM 82 N LYS A 25 2.405 -6.656 2.845 1.00 10.00 N ATOM 83 CA LYS A 25 1.251 -7.511 2.616 1.00 10.00 C ATOM 84 C LYS A 25 -0.045 -6.739 2.813 1.00 10.00 C ATOM 85 O LYS A 25 -0.349 -6.277 3.917 1.00 10.00 O ATOM 86 CB LYS A 25 1.293 -8.716 3.554 1.00 10.00 C ATOM 87 CG LYS A 25 2.523 -9.585 3.362 1.00 10.00 C ATOM 88 CD LYS A 25 2.893 -10.322 4.638 1.00 10.00 C ATOM 89 CE LYS A 25 1.877 -11.392 4.988 1.00 10.00 C ATOM 90 NZ LYS A 25 2.419 -12.364 5.969 1.00 10.00 N ATOM 0 H LYS A 25 2.563 -6.411 3.822 1.00 10.00 H new ATOM 0 HA LYS A 25 1.286 -7.862 1.585 1.00 10.00 H new ATOM 0 HB2 LYS A 25 1.262 -8.366 4.586 1.00 10.00 H new ATOM 0 HB3 LYS A 25 0.401 -9.322 3.396 1.00 10.00 H new ATOM 0 HG2 LYS A 25 2.339 -10.306 2.565 1.00 10.00 H new ATOM 0 HG3 LYS A 25 3.361 -8.965 3.043 1.00 10.00 H new ATOM 0 HD2 LYS A 25 3.876 -10.779 4.521 1.00 10.00 H new ATOM 0 HD3 LYS A 25 2.968 -9.610 5.460 1.00 10.00 H new ATOM 0 HE2 LYS A 25 0.982 -10.924 5.397 1.00 10.00 H new ATOM 0 HE3 LYS A 25 1.576 -11.919 4.082 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 1.751 -13.153 6.082 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 3.331 -12.729 5.628 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 2.555 -11.892 6.886 1.00 10.00 H new ATOM 104 N VAL A 26 -0.792 -6.586 1.735 1.00 10.00 N ATOM 105 CA VAL A 26 -2.062 -5.881 1.786 1.00 10.00 C ATOM 106 C VAL A 26 -3.193 -6.888 1.912 1.00 10.00 C ATOM 107 O VAL A 26 -3.321 -7.794 1.087 1.00 10.00 O ATOM 108 CB VAL A 26 -2.293 -5.006 0.537 1.00 10.00 C ATOM 109 CG1 VAL A 26 -3.333 -3.933 0.825 1.00 10.00 C ATOM 110 CG2 VAL A 26 -0.989 -4.378 0.063 1.00 10.00 C ATOM 0 H VAL A 26 -0.542 -6.941 0.812 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.039 -5.221 2.653 1.00 10.00 H new ATOM 0 HB VAL A 26 -2.668 -5.645 -0.262 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -3.484 -3.324 -0.066 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -4.274 -4.405 1.106 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -2.986 -3.300 1.642 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.179 -3.766 -0.819 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.576 -3.754 0.856 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -0.277 -5.164 -0.188 1.00 10.00 H new ATOM 120 N ILE A 27 -3.997 -6.739 2.948 1.00 10.00 N ATOM 121 CA ILE A 27 -5.105 -7.652 3.183 1.00 10.00 C ATOM 122 C ILE A 27 -6.386 -7.128 2.546 1.00 10.00 C ATOM 123 O ILE A 27 -6.908 -6.085 2.941 1.00 10.00 O ATOM 124 CB ILE A 27 -5.336 -7.877 4.693 1.00 10.00 C ATOM 125 CG1 ILE A 27 -4.037 -8.332 5.371 1.00 10.00 C ATOM 126 CG2 ILE A 27 -6.445 -8.894 4.922 1.00 10.00 C ATOM 127 CD1 ILE A 27 -3.494 -9.647 4.845 1.00 10.00 C ATOM 0 H ILE A 27 -3.906 -5.996 3.641 1.00 10.00 H new ATOM 0 HA ILE A 27 -4.841 -8.605 2.724 1.00 10.00 H new ATOM 0 HB ILE A 27 -5.645 -6.931 5.138 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -3.280 -7.559 5.238 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -4.212 -8.426 6.443 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -6.591 -9.038 5.993 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -7.370 -8.530 4.475 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -6.169 -9.843 4.463 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -2.575 -9.899 5.375 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -4.231 -10.434 5.002 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -3.285 -9.554 3.779 1.00 10.00 H new ATOM 139 N GLY A 28 -6.879 -7.855 1.550 1.00 10.00 N ATOM 140 CA GLY A 28 -8.099 -7.457 0.874 1.00 10.00 C ATOM 141 C GLY A 28 -9.339 -7.965 1.585 1.00 10.00 C ATOM 142 O GLY A 28 -9.249 -8.829 2.461 1.00 10.00 O ATOM 0 H GLY A 28 -6.455 -8.714 1.198 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -8.139 -6.370 0.810 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -8.087 -7.836 -0.148 1.00 10.00 H new ATOM 146 N GLN A 29 -10.502 -7.450 1.200 1.00 10.00 N ATOM 147 CA GLN A 29 -11.766 -7.856 1.813 1.00 10.00 C ATOM 148 C GLN A 29 -12.123 -9.287 1.408 1.00 10.00 C ATOM 149 O GLN A 29 -12.976 -9.930 2.018 1.00 10.00 O ATOM 150 CB GLN A 29 -12.880 -6.885 1.411 1.00 10.00 C ATOM 151 CG GLN A 29 -14.172 -7.043 2.206 1.00 10.00 C ATOM 152 CD GLN A 29 -13.943 -7.092 3.706 1.00 10.00 C ATOM 153 OE1 GLN A 29 -13.846 -6.059 4.369 1.00 10.00 O ATOM 154 NE2 GLN A 29 -13.863 -8.295 4.253 1.00 10.00 N ATOM 0 H GLN A 29 -10.598 -6.749 0.465 1.00 10.00 H new ATOM 0 HA GLN A 29 -11.656 -7.829 2.897 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -12.516 -5.864 1.531 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -13.100 -7.022 0.352 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -14.839 -6.213 1.973 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -14.677 -7.956 1.891 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -13.948 -9.127 3.670 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -13.716 -8.390 5.258 1.00 10.00 H new ATOM 163 N ASP A 30 -11.448 -9.778 0.380 1.00 10.00 N ATOM 164 CA ASP A 30 -11.652 -11.133 -0.115 1.00 10.00 C ATOM 165 C ASP A 30 -10.686 -12.089 0.576 1.00 10.00 C ATOM 166 O ASP A 30 -10.543 -13.246 0.173 1.00 10.00 O ATOM 167 CB ASP A 30 -11.456 -11.188 -1.639 1.00 10.00 C ATOM 168 CG ASP A 30 -10.072 -10.740 -2.077 1.00 10.00 C ATOM 169 OD1 ASP A 30 -9.544 -9.770 -1.492 1.00 10.00 O ATOM 170 OD2 ASP A 30 -9.513 -11.338 -3.018 1.00 10.00 O ATOM 0 H ASP A 30 -10.744 -9.250 -0.135 1.00 10.00 H new ATOM 0 HA ASP A 30 -12.675 -11.436 0.110 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -11.628 -12.207 -1.985 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -12.205 -10.558 -2.119 1.00 10.00 H new ATOM 175 N SER A 31 -10.029 -11.584 1.622 1.00 10.00 N ATOM 176 CA SER A 31 -9.068 -12.354 2.409 1.00 10.00 C ATOM 177 C SER A 31 -7.828 -12.705 1.586 1.00 10.00 C ATOM 178 O SER A 31 -7.197 -13.743 1.799 1.00 10.00 O ATOM 179 CB SER A 31 -9.720 -13.621 2.971 1.00 10.00 C ATOM 180 OG SER A 31 -10.918 -13.309 3.671 1.00 10.00 O ATOM 0 H SER A 31 -10.150 -10.625 1.947 1.00 10.00 H new ATOM 0 HA SER A 31 -8.748 -11.731 3.244 1.00 10.00 H new ATOM 0 HB2 SER A 31 -9.939 -14.313 2.158 1.00 10.00 H new ATOM 0 HB3 SER A 31 -9.024 -14.126 3.641 1.00 10.00 H new ATOM 0 HG SER A 31 -11.317 -14.133 4.019 1.00 10.00 H new ATOM 186 N SER A 32 -7.477 -11.828 0.657 1.00 10.00 N ATOM 187 CA SER A 32 -6.313 -12.035 -0.185 1.00 10.00 C ATOM 188 C SER A 32 -5.073 -11.460 0.485 1.00 10.00 C ATOM 189 O SER A 32 -5.177 -10.618 1.381 1.00 10.00 O ATOM 190 CB SER A 32 -6.524 -11.373 -1.542 1.00 10.00 C ATOM 191 OG SER A 32 -6.965 -10.035 -1.383 1.00 10.00 O ATOM 0 H SER A 32 -7.985 -10.964 0.469 1.00 10.00 H new ATOM 0 HA SER A 32 -6.172 -13.106 -0.331 1.00 10.00 H new ATOM 0 HB2 SER A 32 -5.593 -11.390 -2.109 1.00 10.00 H new ATOM 0 HB3 SER A 32 -7.258 -11.937 -2.117 1.00 10.00 H new ATOM 0 HG SER A 32 -7.941 -10.021 -1.291 1.00 10.00 H new ATOM 197 N GLU A 33 -3.906 -11.916 0.056 1.00 10.00 N ATOM 198 CA GLU A 33 -2.655 -11.441 0.617 1.00 10.00 C ATOM 199 C GLU A 33 -1.785 -10.850 -0.486 1.00 10.00 C ATOM 200 O GLU A 33 -0.908 -11.520 -1.033 1.00 10.00 O ATOM 201 CB GLU A 33 -1.927 -12.583 1.324 1.00 10.00 C ATOM 202 CG GLU A 33 -1.079 -12.135 2.505 1.00 10.00 C ATOM 203 CD GLU A 33 -0.283 -13.272 3.103 1.00 10.00 C ATOM 204 OE1 GLU A 33 -0.856 -14.071 3.872 1.00 10.00 O ATOM 205 OE2 GLU A 33 0.921 -13.378 2.803 1.00 10.00 O ATOM 0 H GLU A 33 -3.801 -12.615 -0.679 1.00 10.00 H new ATOM 0 HA GLU A 33 -2.865 -10.663 1.351 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -2.662 -13.309 1.671 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -1.288 -13.095 0.604 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -0.398 -11.348 2.182 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -1.725 -11.704 3.270 1.00 10.00 H new ATOM 212 N ILE A 34 -2.049 -9.594 -0.818 1.00 10.00 N ATOM 213 CA ILE A 34 -1.306 -8.903 -1.862 1.00 10.00 C ATOM 214 C ILE A 34 0.136 -8.671 -1.430 1.00 10.00 C ATOM 215 O ILE A 34 0.385 -8.015 -0.416 1.00 10.00 O ATOM 216 CB ILE A 34 -1.946 -7.539 -2.199 1.00 10.00 C ATOM 217 CG1 ILE A 34 -3.474 -7.656 -2.306 1.00 10.00 C ATOM 218 CG2 ILE A 34 -1.359 -6.985 -3.490 1.00 10.00 C ATOM 219 CD1 ILE A 34 -3.948 -8.542 -3.437 1.00 10.00 C ATOM 0 H ILE A 34 -2.776 -9.031 -0.377 1.00 10.00 H new ATOM 0 HA ILE A 34 -1.331 -9.538 -2.748 1.00 10.00 H new ATOM 0 HB ILE A 34 -1.720 -6.847 -1.387 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -3.865 -8.045 -1.366 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -3.896 -6.660 -2.438 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -1.819 -6.023 -3.716 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -0.283 -6.854 -3.374 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -1.554 -7.681 -4.306 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -5.038 -8.572 -3.444 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -3.590 -8.143 -4.386 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -3.558 -9.550 -3.297 1.00 10.00 H new ATOM 231 N HIS A 35 1.083 -9.202 -2.192 1.00 10.00 N ATOM 232 CA HIS A 35 2.489 -9.041 -1.861 1.00 10.00 C ATOM 233 C HIS A 35 3.116 -7.937 -2.703 1.00 10.00 C ATOM 234 O HIS A 35 3.658 -8.182 -3.779 1.00 10.00 O ATOM 235 CB HIS A 35 3.241 -10.358 -2.052 1.00 10.00 C ATOM 236 CG HIS A 35 3.092 -11.299 -0.893 1.00 10.00 C ATOM 237 ND1 HIS A 35 3.873 -12.422 -0.774 1.00 10.00 N ATOM 238 CD2 HIS A 35 2.255 -11.233 0.170 1.00 10.00 C ATOM 239 CE1 HIS A 35 3.497 -13.007 0.350 1.00 10.00 C ATOM 240 NE2 HIS A 35 2.520 -12.323 0.956 1.00 10.00 N ATOM 0 H HIS A 35 0.903 -9.744 -3.037 1.00 10.00 H new ATOM 0 HA HIS A 35 2.563 -8.754 -0.812 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.880 -10.847 -2.957 1.00 10.00 H new ATOM 0 HB3 HIS A 35 4.299 -10.146 -2.205 1.00 10.00 H new ATOM 0 HD2 HIS A 35 1.519 -10.467 0.361 1.00 10.00 H new ATOM 0 HE1 HIS A 35 3.925 -13.922 0.731 1.00 10.00 H new ATOM 0 HE2 HIS A 35 2.061 -12.566 1.834 1.00 10.00 H new ATOM 248 N PHE A 36 3.035 -6.719 -2.203 1.00 10.00 N ATOM 249 CA PHE A 36 3.579 -5.568 -2.903 1.00 10.00 C ATOM 250 C PHE A 36 5.053 -5.385 -2.560 1.00 10.00 C ATOM 251 O PHE A 36 5.408 -5.175 -1.398 1.00 10.00 O ATOM 252 CB PHE A 36 2.789 -4.308 -2.538 1.00 10.00 C ATOM 253 CG PHE A 36 2.655 -3.330 -3.669 1.00 10.00 C ATOM 254 CD1 PHE A 36 3.771 -2.718 -4.212 1.00 10.00 C ATOM 255 CD2 PHE A 36 1.405 -3.011 -4.177 1.00 10.00 C ATOM 256 CE1 PHE A 36 3.646 -1.815 -5.249 1.00 10.00 C ATOM 257 CE2 PHE A 36 1.274 -2.110 -5.215 1.00 10.00 C ATOM 258 CZ PHE A 36 2.395 -1.506 -5.749 1.00 10.00 C ATOM 0 H PHE A 36 2.595 -6.499 -1.309 1.00 10.00 H new ATOM 0 HA PHE A 36 3.492 -5.739 -3.976 1.00 10.00 H new ATOM 0 HB2 PHE A 36 1.794 -4.599 -2.201 1.00 10.00 H new ATOM 0 HB3 PHE A 36 3.278 -3.814 -1.698 1.00 10.00 H new ATOM 0 HD1 PHE A 36 4.751 -2.949 -3.820 1.00 10.00 H new ATOM 0 HD2 PHE A 36 0.524 -3.472 -3.756 1.00 10.00 H new ATOM 0 HE1 PHE A 36 4.526 -1.350 -5.669 1.00 10.00 H new ATOM 0 HE2 PHE A 36 0.296 -1.878 -5.609 1.00 10.00 H new ATOM 0 HZ PHE A 36 2.295 -0.794 -6.555 1.00 10.00 H new ATOM 268 N LYS A 37 5.907 -5.476 -3.568 1.00 10.00 N ATOM 269 CA LYS A 37 7.338 -5.315 -3.365 1.00 10.00 C ATOM 270 C LYS A 37 7.747 -3.877 -3.664 1.00 10.00 C ATOM 271 O LYS A 37 7.707 -3.433 -4.812 1.00 10.00 O ATOM 272 CB LYS A 37 8.128 -6.286 -4.247 1.00 10.00 C ATOM 273 CG LYS A 37 9.595 -6.392 -3.859 1.00 10.00 C ATOM 274 CD LYS A 37 10.395 -7.209 -4.864 1.00 10.00 C ATOM 275 CE LYS A 37 9.988 -8.674 -4.860 1.00 10.00 C ATOM 276 NZ LYS A 37 11.059 -9.542 -5.421 1.00 10.00 N ATOM 0 H LYS A 37 5.634 -5.660 -4.533 1.00 10.00 H new ATOM 0 HA LYS A 37 7.566 -5.542 -2.324 1.00 10.00 H new ATOM 0 HB2 LYS A 37 7.671 -7.274 -4.188 1.00 10.00 H new ATOM 0 HB3 LYS A 37 8.056 -5.963 -5.286 1.00 10.00 H new ATOM 0 HG2 LYS A 37 10.023 -5.392 -3.783 1.00 10.00 H new ATOM 0 HG3 LYS A 37 9.677 -6.850 -2.873 1.00 10.00 H new ATOM 0 HD2 LYS A 37 10.252 -6.796 -5.863 1.00 10.00 H new ATOM 0 HD3 LYS A 37 11.457 -7.127 -4.634 1.00 10.00 H new ATOM 0 HE2 LYS A 37 9.762 -8.987 -3.840 1.00 10.00 H new ATOM 0 HE3 LYS A 37 9.075 -8.800 -5.442 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 10.747 -10.534 -5.403 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 11.257 -9.259 -6.402 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 11.923 -9.440 -4.851 1.00 10.00 H new ATOM 290 N VAL A 38 8.131 -3.155 -2.624 1.00 10.00 N ATOM 291 CA VAL A 38 8.530 -1.765 -2.762 1.00 10.00 C ATOM 292 C VAL A 38 10.015 -1.585 -2.454 1.00 10.00 C ATOM 293 O VAL A 38 10.695 -2.521 -2.022 1.00 10.00 O ATOM 294 CB VAL A 38 7.696 -0.848 -1.834 1.00 10.00 C ATOM 295 CG1 VAL A 38 6.208 -1.098 -2.026 1.00 10.00 C ATOM 296 CG2 VAL A 38 8.083 -1.047 -0.375 1.00 10.00 C ATOM 0 H VAL A 38 8.175 -3.512 -1.669 1.00 10.00 H new ATOM 0 HA VAL A 38 8.346 -1.480 -3.798 1.00 10.00 H new ATOM 0 HB VAL A 38 7.912 0.185 -2.105 1.00 10.00 H new ATOM 0 HG11 VAL A 38 5.641 -0.443 -1.364 1.00 10.00 H new ATOM 0 HG12 VAL A 38 5.935 -0.893 -3.061 1.00 10.00 H new ATOM 0 HG13 VAL A 38 5.980 -2.138 -1.790 1.00 10.00 H new ATOM 0 HG21 VAL A 38 7.482 -0.390 0.254 1.00 10.00 H new ATOM 0 HG22 VAL A 38 7.907 -2.084 -0.090 1.00 10.00 H new ATOM 0 HG23 VAL A 38 9.138 -0.809 -0.243 1.00 10.00 H new ATOM 306 N LYS A 39 10.510 -0.376 -2.677 1.00 10.00 N ATOM 307 CA LYS A 39 11.903 -0.055 -2.425 1.00 10.00 C ATOM 308 C LYS A 39 11.995 0.990 -1.321 1.00 10.00 C ATOM 309 O LYS A 39 11.168 1.901 -1.250 1.00 10.00 O ATOM 310 CB LYS A 39 12.562 0.471 -3.702 1.00 10.00 C ATOM 311 CG LYS A 39 14.077 0.552 -3.616 1.00 10.00 C ATOM 312 CD LYS A 39 14.670 1.230 -4.838 1.00 10.00 C ATOM 313 CE LYS A 39 16.182 1.298 -4.743 1.00 10.00 C ATOM 314 NZ LYS A 39 16.772 2.203 -5.761 1.00 10.00 N ATOM 0 H LYS A 39 9.959 0.404 -3.036 1.00 10.00 H new ATOM 0 HA LYS A 39 12.426 -0.958 -2.109 1.00 10.00 H new ATOM 0 HB2 LYS A 39 12.288 -0.176 -4.535 1.00 10.00 H new ATOM 0 HB3 LYS A 39 12.166 1.462 -3.924 1.00 10.00 H new ATOM 0 HG2 LYS A 39 14.362 1.102 -2.719 1.00 10.00 H new ATOM 0 HG3 LYS A 39 14.491 -0.452 -3.519 1.00 10.00 H new ATOM 0 HD2 LYS A 39 14.383 0.684 -5.736 1.00 10.00 H new ATOM 0 HD3 LYS A 39 14.263 2.237 -4.933 1.00 10.00 H new ATOM 0 HE2 LYS A 39 16.466 1.640 -3.748 1.00 10.00 H new ATOM 0 HE3 LYS A 39 16.597 0.297 -4.866 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 17.807 2.216 -5.656 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 16.525 1.863 -6.712 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 16.398 3.165 -5.629 1.00 10.00 H new ATOM 328 N MET A 40 12.997 0.862 -0.461 1.00 10.00 N ATOM 329 CA MET A 40 13.177 1.803 0.637 1.00 10.00 C ATOM 330 C MET A 40 13.798 3.105 0.132 1.00 10.00 C ATOM 331 O MET A 40 15.009 3.322 0.244 1.00 10.00 O ATOM 332 CB MET A 40 14.036 1.184 1.743 1.00 10.00 C ATOM 333 CG MET A 40 14.204 2.081 2.965 1.00 10.00 C ATOM 334 SD MET A 40 12.632 2.609 3.683 1.00 10.00 S ATOM 335 CE MET A 40 12.162 1.137 4.592 1.00 10.00 C ATOM 0 H MET A 40 13.695 0.119 -0.502 1.00 10.00 H new ATOM 0 HA MET A 40 12.198 2.033 1.057 1.00 10.00 H new ATOM 0 HB2 MET A 40 13.587 0.241 2.055 1.00 10.00 H new ATOM 0 HB3 MET A 40 15.020 0.949 1.338 1.00 10.00 H new ATOM 0 HG2 MET A 40 14.781 1.549 3.721 1.00 10.00 H new ATOM 0 HG3 MET A 40 14.782 2.962 2.684 1.00 10.00 H new ATOM 0 HE1 MET A 40 11.097 0.951 4.457 1.00 10.00 H new ATOM 0 HE2 MET A 40 12.730 0.284 4.221 1.00 10.00 H new ATOM 0 HE3 MET A 40 12.374 1.281 5.652 1.00 10.00 H new ATOM 345 N THR A 41 12.949 3.948 -0.448 1.00 10.00 N ATOM 346 CA THR A 41 13.359 5.240 -0.988 1.00 10.00 C ATOM 347 C THR A 41 12.201 5.879 -1.754 1.00 10.00 C ATOM 348 O THR A 41 12.185 7.088 -1.989 1.00 10.00 O ATOM 349 CB THR A 41 14.595 5.118 -1.922 1.00 10.00 C ATOM 350 OG1 THR A 41 15.223 6.395 -2.094 1.00 10.00 O ATOM 351 CG2 THR A 41 14.215 4.555 -3.285 1.00 10.00 C ATOM 0 H THR A 41 11.954 3.753 -0.557 1.00 10.00 H new ATOM 0 HA THR A 41 13.640 5.870 -0.144 1.00 10.00 H new ATOM 0 HB THR A 41 15.292 4.429 -1.446 1.00 10.00 H new ATOM 0 HG1 THR A 41 14.536 7.087 -2.193 1.00 10.00 H new ATOM 0 HG21 THR A 41 15.105 4.484 -3.910 1.00 10.00 H new ATOM 0 HG22 THR A 41 13.779 3.564 -3.161 1.00 10.00 H new ATOM 0 HG23 THR A 41 13.488 5.214 -3.761 1.00 10.00 H new ATOM 359 N THR A 42 11.242 5.055 -2.155 1.00 10.00 N ATOM 360 CA THR A 42 10.087 5.529 -2.892 1.00 10.00 C ATOM 361 C THR A 42 8.992 6.001 -1.940 1.00 10.00 C ATOM 362 O THR A 42 8.624 5.291 -1.002 1.00 10.00 O ATOM 363 CB THR A 42 9.539 4.417 -3.805 1.00 10.00 C ATOM 364 OG1 THR A 42 10.593 3.487 -4.112 1.00 10.00 O ATOM 365 CG2 THR A 42 8.981 4.998 -5.095 1.00 10.00 C ATOM 0 H THR A 42 11.245 4.050 -1.979 1.00 10.00 H new ATOM 0 HA THR A 42 10.403 6.372 -3.507 1.00 10.00 H new ATOM 0 HB THR A 42 8.732 3.905 -3.281 1.00 10.00 H new ATOM 0 HG1 THR A 42 10.245 2.778 -4.692 1.00 10.00 H new ATOM 0 HG21 THR A 42 8.600 4.192 -5.722 1.00 10.00 H new ATOM 0 HG22 THR A 42 8.172 5.690 -4.862 1.00 10.00 H new ATOM 0 HG23 THR A 42 9.771 5.529 -5.626 1.00 10.00 H new ATOM 373 N HIS A 43 8.496 7.213 -2.173 1.00 10.00 N ATOM 374 CA HIS A 43 7.438 7.784 -1.346 1.00 10.00 C ATOM 375 C HIS A 43 6.175 6.939 -1.457 1.00 10.00 C ATOM 376 O HIS A 43 5.861 6.428 -2.535 1.00 10.00 O ATOM 377 CB HIS A 43 7.132 9.222 -1.782 1.00 10.00 C ATOM 378 CG HIS A 43 7.182 10.216 -0.664 1.00 10.00 C ATOM 379 ND1 HIS A 43 8.042 11.285 -0.695 1.00 10.00 N ATOM 380 CD2 HIS A 43 6.465 10.260 0.483 1.00 10.00 C ATOM 381 CE1 HIS A 43 7.833 11.951 0.430 1.00 10.00 C ATOM 382 NE2 HIS A 43 6.887 11.366 1.174 1.00 10.00 N ATOM 0 H HIS A 43 8.811 7.820 -2.930 1.00 10.00 H new ATOM 0 HA HIS A 43 7.778 7.793 -0.310 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.845 9.518 -2.551 1.00 10.00 H new ATOM 0 HB3 HIS A 43 6.142 9.251 -2.237 1.00 10.00 H new ATOM 0 HD2 HIS A 43 5.706 9.558 0.794 1.00 10.00 H new ATOM 0 HE1 HIS A 43 8.359 12.851 0.711 1.00 10.00 H new ATOM 0 HE2 HIS A 43 6.545 11.682 2.081 1.00 10.00 H new ATOM 390 N LEU A 44 5.442 6.811 -0.350 1.00 10.00 N ATOM 391 CA LEU A 44 4.215 6.018 -0.334 1.00 10.00 C ATOM 392 C LEU A 44 3.185 6.587 -1.300 1.00 10.00 C ATOM 393 O LEU A 44 2.266 5.886 -1.716 1.00 10.00 O ATOM 394 CB LEU A 44 3.635 5.935 1.080 1.00 10.00 C ATOM 395 CG LEU A 44 4.345 4.945 2.004 1.00 10.00 C ATOM 396 CD1 LEU A 44 3.909 5.152 3.441 1.00 10.00 C ATOM 397 CD2 LEU A 44 4.076 3.514 1.569 1.00 10.00 C ATOM 0 H LEU A 44 5.676 7.245 0.543 1.00 10.00 H new ATOM 0 HA LEU A 44 4.467 5.009 -0.660 1.00 10.00 H new ATOM 0 HB2 LEU A 44 3.674 6.926 1.533 1.00 10.00 H new ATOM 0 HB3 LEU A 44 2.583 5.657 1.011 1.00 10.00 H new ATOM 0 HG LEU A 44 5.418 5.127 1.938 1.00 10.00 H new ATOM 0 HD11 LEU A 44 4.425 4.439 4.084 1.00 10.00 H new ATOM 0 HD12 LEU A 44 4.156 6.167 3.754 1.00 10.00 H new ATOM 0 HD13 LEU A 44 2.833 5.000 3.520 1.00 10.00 H new ATOM 0 HD21 LEU A 44 4.591 2.827 2.240 1.00 10.00 H new ATOM 0 HD22 LEU A 44 3.004 3.319 1.602 1.00 10.00 H new ATOM 0 HD23 LEU A 44 4.440 3.368 0.552 1.00 10.00 H new ATOM 409 N LYS A 45 3.349 7.859 -1.654 1.00 10.00 N ATOM 410 CA LYS A 45 2.457 8.522 -2.595 1.00 10.00 C ATOM 411 C LYS A 45 2.431 7.754 -3.916 1.00 10.00 C ATOM 412 O LYS A 45 1.367 7.538 -4.499 1.00 10.00 O ATOM 413 CB LYS A 45 2.928 9.967 -2.822 1.00 10.00 C ATOM 414 CG LYS A 45 2.266 10.672 -3.999 1.00 10.00 C ATOM 415 CD LYS A 45 0.767 10.823 -3.802 1.00 10.00 C ATOM 416 CE LYS A 45 0.181 11.816 -4.792 1.00 10.00 C ATOM 417 NZ LYS A 45 -1.299 11.909 -4.680 1.00 10.00 N ATOM 0 H LYS A 45 4.098 8.453 -1.299 1.00 10.00 H new ATOM 0 HA LYS A 45 1.447 8.542 -2.185 1.00 10.00 H new ATOM 0 HB2 LYS A 45 2.738 10.544 -1.917 1.00 10.00 H new ATOM 0 HB3 LYS A 45 4.007 9.963 -2.978 1.00 10.00 H new ATOM 0 HG2 LYS A 45 2.715 11.656 -4.131 1.00 10.00 H new ATOM 0 HG3 LYS A 45 2.457 10.109 -4.913 1.00 10.00 H new ATOM 0 HD2 LYS A 45 0.282 9.854 -3.924 1.00 10.00 H new ATOM 0 HD3 LYS A 45 0.563 11.156 -2.784 1.00 10.00 H new ATOM 0 HE2 LYS A 45 0.620 12.799 -4.622 1.00 10.00 H new ATOM 0 HE3 LYS A 45 0.450 11.518 -5.806 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -1.642 12.701 -5.260 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 -1.729 11.023 -5.014 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 -1.563 12.068 -3.687 1.00 10.00 H new ATOM 431 N LYS A 46 3.606 7.313 -4.354 1.00 10.00 N ATOM 432 CA LYS A 46 3.733 6.569 -5.599 1.00 10.00 C ATOM 433 C LYS A 46 3.098 5.188 -5.468 1.00 10.00 C ATOM 434 O LYS A 46 2.510 4.669 -6.413 1.00 10.00 O ATOM 435 CB LYS A 46 5.208 6.429 -5.992 1.00 10.00 C ATOM 436 CG LYS A 46 5.422 5.947 -7.419 1.00 10.00 C ATOM 437 CD LYS A 46 4.915 6.961 -8.431 1.00 10.00 C ATOM 438 CE LYS A 46 4.925 6.402 -9.844 1.00 10.00 C ATOM 439 NZ LYS A 46 4.183 7.283 -10.784 1.00 10.00 N ATOM 0 H LYS A 46 4.487 7.460 -3.861 1.00 10.00 H new ATOM 0 HA LYS A 46 3.210 7.122 -6.379 1.00 10.00 H new ATOM 0 HB2 LYS A 46 5.700 7.393 -5.867 1.00 10.00 H new ATOM 0 HB3 LYS A 46 5.692 5.733 -5.307 1.00 10.00 H new ATOM 0 HG2 LYS A 46 6.483 5.763 -7.587 1.00 10.00 H new ATOM 0 HG3 LYS A 46 4.907 4.997 -7.565 1.00 10.00 H new ATOM 0 HD2 LYS A 46 3.901 7.263 -8.167 1.00 10.00 H new ATOM 0 HD3 LYS A 46 5.535 7.857 -8.390 1.00 10.00 H new ATOM 0 HE2 LYS A 46 5.954 6.290 -10.185 1.00 10.00 H new ATOM 0 HE3 LYS A 46 4.478 5.408 -9.846 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 3.886 6.732 -11.615 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 3.344 7.671 -10.307 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 4.800 8.063 -11.089 1.00 10.00 H new ATOM 453 N LEU A 47 3.212 4.599 -4.287 1.00 10.00 N ATOM 454 CA LEU A 47 2.649 3.277 -4.043 1.00 10.00 C ATOM 455 C LEU A 47 1.128 3.346 -3.965 1.00 10.00 C ATOM 456 O LEU A 47 0.431 2.471 -4.481 1.00 10.00 O ATOM 457 CB LEU A 47 3.214 2.672 -2.752 1.00 10.00 C ATOM 458 CG LEU A 47 4.646 2.124 -2.844 1.00 10.00 C ATOM 459 CD1 LEU A 47 4.887 1.453 -4.188 1.00 10.00 C ATOM 460 CD2 LEU A 47 5.666 3.227 -2.606 1.00 10.00 C ATOM 0 H LEU A 47 3.687 5.013 -3.485 1.00 10.00 H new ATOM 0 HA LEU A 47 2.929 2.635 -4.878 1.00 10.00 H new ATOM 0 HB2 LEU A 47 3.186 3.434 -1.973 1.00 10.00 H new ATOM 0 HB3 LEU A 47 2.555 1.864 -2.432 1.00 10.00 H new ATOM 0 HG LEU A 47 4.767 1.373 -2.063 1.00 10.00 H new ATOM 0 HD11 LEU A 47 5.908 1.074 -4.227 1.00 10.00 H new ATOM 0 HD12 LEU A 47 4.188 0.626 -4.312 1.00 10.00 H new ATOM 0 HD13 LEU A 47 4.738 2.178 -4.988 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.672 2.814 -2.676 1.00 10.00 H new ATOM 0 HD22 LEU A 47 5.541 4.007 -3.357 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.517 3.652 -1.613 1.00 10.00 H new ATOM 472 N LYS A 48 0.622 4.402 -3.337 1.00 10.00 N ATOM 473 CA LYS A 48 -0.815 4.592 -3.181 1.00 10.00 C ATOM 474 C LYS A 48 -1.503 4.732 -4.536 1.00 10.00 C ATOM 475 O LYS A 48 -2.526 4.094 -4.780 1.00 10.00 O ATOM 476 CB LYS A 48 -1.105 5.823 -2.312 1.00 10.00 C ATOM 477 CG LYS A 48 -0.754 5.634 -0.842 1.00 10.00 C ATOM 478 CD LYS A 48 -0.978 6.907 -0.037 1.00 10.00 C ATOM 479 CE LYS A 48 -2.457 7.162 0.216 1.00 10.00 C ATOM 480 NZ LYS A 48 -2.685 8.425 0.964 1.00 10.00 N ATOM 0 H LYS A 48 1.190 5.143 -2.926 1.00 10.00 H new ATOM 0 HA LYS A 48 -1.215 3.708 -2.685 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -0.545 6.672 -2.703 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -2.163 6.073 -2.394 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -1.359 4.829 -0.425 1.00 10.00 H new ATOM 0 HG3 LYS A 48 0.288 5.327 -0.754 1.00 10.00 H new ATOM 0 HD2 LYS A 48 -0.454 6.832 0.916 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -0.549 7.755 -0.571 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -2.985 7.204 -0.736 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -2.878 6.328 0.777 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -3.657 8.755 0.799 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -2.544 8.257 1.981 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -2.014 9.148 0.636 1.00 10.00 H new ATOM 494 N GLU A 49 -0.933 5.545 -5.422 1.00 10.00 N ATOM 495 CA GLU A 49 -1.523 5.748 -6.743 1.00 10.00 C ATOM 496 C GLU A 49 -1.398 4.487 -7.596 1.00 10.00 C ATOM 497 O GLU A 49 -2.312 4.150 -8.351 1.00 10.00 O ATOM 498 CB GLU A 49 -0.890 6.949 -7.459 1.00 10.00 C ATOM 499 CG GLU A 49 0.621 6.864 -7.612 1.00 10.00 C ATOM 500 CD GLU A 49 1.187 7.965 -8.486 1.00 10.00 C ATOM 501 OE1 GLU A 49 0.967 9.155 -8.175 1.00 10.00 O ATOM 502 OE2 GLU A 49 1.866 7.647 -9.485 1.00 10.00 O ATOM 0 H GLU A 49 -0.074 6.068 -5.253 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.582 5.963 -6.601 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -1.338 7.045 -8.448 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -1.137 7.857 -6.908 1.00 10.00 H new ATOM 0 HG2 GLU A 49 1.084 6.914 -6.627 1.00 10.00 H new ATOM 0 HG3 GLU A 49 0.884 5.896 -8.039 1.00 10.00 H new ATOM 509 N SER A 50 -0.279 3.783 -7.462 1.00 10.00 N ATOM 510 CA SER A 50 -0.058 2.559 -8.222 1.00 10.00 C ATOM 511 C SER A 50 -1.046 1.475 -7.799 1.00 10.00 C ATOM 512 O SER A 50 -1.529 0.701 -8.628 1.00 10.00 O ATOM 513 CB SER A 50 1.378 2.065 -8.042 1.00 10.00 C ATOM 514 OG SER A 50 2.309 3.043 -8.476 1.00 10.00 O ATOM 0 H SER A 50 0.486 4.038 -6.837 1.00 10.00 H new ATOM 0 HA SER A 50 -0.219 2.782 -9.277 1.00 10.00 H new ATOM 0 HB2 SER A 50 1.556 1.828 -6.993 1.00 10.00 H new ATOM 0 HB3 SER A 50 1.523 1.144 -8.606 1.00 10.00 H new ATOM 0 HG SER A 50 2.545 3.626 -7.725 1.00 10.00 H new ATOM 520 N TYR A 51 -1.356 1.427 -6.506 1.00 10.00 N ATOM 521 CA TYR A 51 -2.301 0.449 -5.989 1.00 10.00 C ATOM 522 C TYR A 51 -3.690 0.729 -6.551 1.00 10.00 C ATOM 523 O TYR A 51 -4.444 -0.194 -6.862 1.00 10.00 O ATOM 524 CB TYR A 51 -2.333 0.474 -4.462 1.00 10.00 C ATOM 525 CG TYR A 51 -2.989 -0.748 -3.860 1.00 10.00 C ATOM 526 CD1 TYR A 51 -2.284 -1.939 -3.726 1.00 10.00 C ATOM 527 CD2 TYR A 51 -4.308 -0.715 -3.431 1.00 10.00 C ATOM 528 CE1 TYR A 51 -2.877 -3.060 -3.183 1.00 10.00 C ATOM 529 CE2 TYR A 51 -4.908 -1.833 -2.885 1.00 10.00 C ATOM 530 CZ TYR A 51 -4.187 -3.003 -2.764 1.00 10.00 C ATOM 531 OH TYR A 51 -4.780 -4.119 -2.222 1.00 10.00 O ATOM 0 H TYR A 51 -0.966 2.053 -5.801 1.00 10.00 H new ATOM 0 HA TYR A 51 -1.979 -0.544 -6.303 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -1.313 0.554 -4.085 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -2.866 1.365 -4.131 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -1.256 -1.987 -4.052 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -4.875 0.199 -3.525 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -2.316 -3.978 -3.087 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -5.935 -1.791 -2.555 1.00 10.00 H new ATOM 0 HH TYR A 51 -5.706 -3.911 -1.976 1.00 10.00 H new ATOM 541 N CYS A 52 -4.013 2.011 -6.701 1.00 10.00 N ATOM 542 CA CYS A 52 -5.304 2.411 -7.244 1.00 10.00 C ATOM 543 C CYS A 52 -5.438 1.908 -8.680 1.00 10.00 C ATOM 544 O CYS A 52 -6.499 1.440 -9.097 1.00 10.00 O ATOM 545 CB CYS A 52 -5.456 3.935 -7.198 1.00 10.00 C ATOM 546 SG CYS A 52 -5.336 4.640 -5.535 1.00 10.00 S ATOM 0 H CYS A 52 -3.399 2.787 -6.454 1.00 10.00 H new ATOM 0 HA CYS A 52 -6.094 1.970 -6.637 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -4.689 4.385 -7.828 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -6.420 4.206 -7.627 1.00 10.00 H new ATOM 0 HG CYS A 52 -4.088 4.695 -5.176 1.00 10.00 H new ATOM 552 N GLN A 53 -4.340 1.988 -9.422 1.00 10.00 N ATOM 553 CA GLN A 53 -4.310 1.526 -10.802 1.00 10.00 C ATOM 554 C GLN A 53 -4.397 0.003 -10.847 1.00 10.00 C ATOM 555 O GLN A 53 -4.969 -0.571 -11.772 1.00 10.00 O ATOM 556 CB GLN A 53 -3.031 1.999 -11.493 1.00 10.00 C ATOM 557 CG GLN A 53 -2.868 3.513 -11.508 1.00 10.00 C ATOM 558 CD GLN A 53 -1.517 3.947 -12.043 1.00 10.00 C ATOM 559 OE1 GLN A 53 -0.518 3.245 -11.891 1.00 10.00 O ATOM 560 NE2 GLN A 53 -1.476 5.108 -12.677 1.00 10.00 N ATOM 0 H GLN A 53 -3.455 2.371 -9.088 1.00 10.00 H new ATOM 0 HA GLN A 53 -5.167 1.945 -11.329 1.00 10.00 H new ATOM 0 HB2 GLN A 53 -2.172 1.555 -10.991 1.00 10.00 H new ATOM 0 HB3 GLN A 53 -3.026 1.632 -12.519 1.00 10.00 H new ATOM 0 HG2 GLN A 53 -3.656 3.954 -12.119 1.00 10.00 H new ATOM 0 HG3 GLN A 53 -2.996 3.899 -10.497 1.00 10.00 H new ATOM 0 HE21 GLN A 53 -2.326 5.662 -12.783 1.00 10.00 H new ATOM 0 HE22 GLN A 53 -0.594 5.449 -13.060 1.00 10.00 H new ATOM 569 N ARG A 54 -3.826 -0.642 -9.833 1.00 10.00 N ATOM 570 CA ARG A 54 -3.839 -2.098 -9.730 1.00 10.00 C ATOM 571 C ARG A 54 -5.266 -2.606 -9.512 1.00 10.00 C ATOM 572 O ARG A 54 -5.669 -3.625 -10.078 1.00 10.00 O ATOM 573 CB ARG A 54 -2.926 -2.549 -8.580 1.00 10.00 C ATOM 574 CG ARG A 54 -3.017 -4.032 -8.242 1.00 10.00 C ATOM 575 CD ARG A 54 -2.481 -4.905 -9.368 1.00 10.00 C ATOM 576 NE ARG A 54 -2.298 -6.294 -8.941 1.00 10.00 N ATOM 577 CZ ARG A 54 -2.602 -7.354 -9.689 1.00 10.00 C ATOM 578 NH1 ARG A 54 -3.096 -7.191 -10.913 1.00 10.00 N ATOM 579 NH2 ARG A 54 -2.401 -8.581 -9.215 1.00 10.00 N ATOM 0 H ARG A 54 -3.345 -0.174 -9.065 1.00 10.00 H new ATOM 0 HA ARG A 54 -3.465 -2.521 -10.662 1.00 10.00 H new ATOM 0 HB2 ARG A 54 -1.894 -2.311 -8.838 1.00 10.00 H new ATOM 0 HB3 ARG A 54 -3.173 -1.971 -7.689 1.00 10.00 H new ATOM 0 HG2 ARG A 54 -2.455 -4.231 -7.329 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -4.055 -4.296 -8.041 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -3.170 -4.872 -10.212 1.00 10.00 H new ATOM 0 HD3 ARG A 54 -1.529 -4.504 -9.717 1.00 10.00 H new ATOM 0 HE ARG A 54 -1.913 -6.461 -8.011 1.00 10.00 H new ATOM 0 HH11 ARG A 54 -3.243 -6.252 -11.283 1.00 10.00 H new ATOM 0 HH12 ARG A 54 -3.327 -8.005 -11.482 1.00 10.00 H new ATOM 0 HH21 ARG A 54 -2.015 -8.709 -8.280 1.00 10.00 H new ATOM 0 HH22 ARG A 54 -2.633 -9.393 -9.787 1.00 10.00 H new ATOM 593 N GLN A 55 -6.024 -1.888 -8.695 1.00 10.00 N ATOM 594 CA GLN A 55 -7.402 -2.265 -8.412 1.00 10.00 C ATOM 595 C GLN A 55 -8.325 -1.810 -9.537 1.00 10.00 C ATOM 596 O GLN A 55 -9.299 -2.485 -9.865 1.00 10.00 O ATOM 597 CB GLN A 55 -7.869 -1.666 -7.084 1.00 10.00 C ATOM 598 CG GLN A 55 -7.022 -2.072 -5.885 1.00 10.00 C ATOM 599 CD GLN A 55 -6.681 -3.551 -5.872 1.00 10.00 C ATOM 600 OE1 GLN A 55 -5.622 -3.960 -6.341 1.00 10.00 O ATOM 601 NE2 GLN A 55 -7.575 -4.364 -5.334 1.00 10.00 N ATOM 0 H GLN A 55 -5.709 -1.043 -8.218 1.00 10.00 H new ATOM 0 HA GLN A 55 -7.443 -3.352 -8.339 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -7.865 -0.579 -7.167 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -8.901 -1.968 -6.905 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -6.099 -1.492 -5.886 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -7.555 -1.820 -4.968 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -8.444 -3.987 -4.954 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -7.396 -5.368 -5.299 1.00 10.00 H new ATOM 610 N GLY A 56 -8.011 -0.666 -10.125 1.00 10.00 N ATOM 611 CA GLY A 56 -8.817 -0.144 -11.209 1.00 10.00 C ATOM 612 C GLY A 56 -9.787 0.921 -10.746 1.00 10.00 C ATOM 613 O GLY A 56 -10.913 1.002 -11.235 1.00 10.00 O ATOM 0 H GLY A 56 -7.210 -0.088 -9.870 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.164 0.272 -11.976 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.372 -0.960 -11.671 1.00 10.00 H new ATOM 617 N VAL A 57 -9.350 1.733 -9.795 1.00 10.00 N ATOM 618 CA VAL A 57 -10.175 2.806 -9.251 1.00 10.00 C ATOM 619 C VAL A 57 -9.335 4.066 -9.074 1.00 10.00 C ATOM 620 O VAL A 57 -8.110 3.980 -8.978 1.00 10.00 O ATOM 621 CB VAL A 57 -10.791 2.418 -7.887 1.00 10.00 C ATOM 622 CG1 VAL A 57 -11.937 1.436 -8.067 1.00 10.00 C ATOM 623 CG2 VAL A 57 -9.732 1.837 -6.963 1.00 10.00 C ATOM 0 H VAL A 57 -8.421 1.669 -9.380 1.00 10.00 H new ATOM 0 HA VAL A 57 -10.986 2.987 -9.957 1.00 10.00 H new ATOM 0 HB VAL A 57 -11.188 3.324 -7.429 1.00 10.00 H new ATOM 0 HG11 VAL A 57 -12.353 1.179 -7.093 1.00 10.00 H new ATOM 0 HG12 VAL A 57 -12.712 1.891 -8.684 1.00 10.00 H new ATOM 0 HG13 VAL A 57 -11.569 0.533 -8.554 1.00 10.00 H new ATOM 0 HG21 VAL A 57 -10.188 1.571 -6.009 1.00 10.00 H new ATOM 0 HG22 VAL A 57 -9.300 0.947 -7.419 1.00 10.00 H new ATOM 0 HG23 VAL A 57 -8.949 2.576 -6.797 1.00 10.00 H new ATOM 633 N PRO A 58 -9.969 5.251 -9.060 1.00 10.00 N ATOM 634 CA PRO A 58 -9.258 6.520 -8.877 1.00 10.00 C ATOM 635 C PRO A 58 -8.666 6.636 -7.474 1.00 10.00 C ATOM 636 O PRO A 58 -9.068 5.914 -6.558 1.00 10.00 O ATOM 637 CB PRO A 58 -10.346 7.582 -9.097 1.00 10.00 C ATOM 638 CG PRO A 58 -11.634 6.879 -8.841 1.00 10.00 C ATOM 639 CD PRO A 58 -11.418 5.448 -9.248 1.00 10.00 C ATOM 0 HA PRO A 58 -8.414 6.623 -9.559 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -10.216 8.425 -8.419 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -10.309 7.980 -10.111 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -11.912 6.947 -7.789 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -12.444 7.329 -9.415 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.999 4.763 -8.631 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -11.716 5.276 -10.282 1.00 10.00 H new ATOM 647 N MET A 59 -7.715 7.543 -7.303 1.00 10.00 N ATOM 648 CA MET A 59 -7.075 7.733 -6.007 1.00 10.00 C ATOM 649 C MET A 59 -8.020 8.427 -5.027 1.00 10.00 C ATOM 650 O MET A 59 -8.974 9.088 -5.442 1.00 10.00 O ATOM 651 CB MET A 59 -5.784 8.547 -6.154 1.00 10.00 C ATOM 652 CG MET A 59 -4.813 8.344 -5.003 1.00 10.00 C ATOM 653 SD MET A 59 -3.390 9.447 -5.071 1.00 10.00 S ATOM 654 CE MET A 59 -2.489 8.894 -3.628 1.00 10.00 C ATOM 0 H MET A 59 -7.370 8.157 -8.041 1.00 10.00 H new ATOM 0 HA MET A 59 -6.827 6.748 -5.611 1.00 10.00 H new ATOM 0 HB2 MET A 59 -5.293 8.272 -7.088 1.00 10.00 H new ATOM 0 HB3 MET A 59 -6.036 9.605 -6.226 1.00 10.00 H new ATOM 0 HG2 MET A 59 -5.339 8.498 -4.061 1.00 10.00 H new ATOM 0 HG3 MET A 59 -4.464 7.311 -5.008 1.00 10.00 H new ATOM 0 HE1 MET A 59 -2.040 9.752 -3.129 1.00 10.00 H new ATOM 0 HE2 MET A 59 -3.172 8.392 -2.943 1.00 10.00 H new ATOM 0 HE3 MET A 59 -1.705 8.200 -3.932 1.00 10.00 H new ATOM 664 N ASN A 60 -7.751 8.239 -3.730 1.00 10.00 N ATOM 665 CA ASN A 60 -8.536 8.826 -2.627 1.00 10.00 C ATOM 666 C ASN A 60 -9.811 8.029 -2.358 1.00 10.00 C ATOM 667 O ASN A 60 -10.447 8.194 -1.319 1.00 10.00 O ATOM 668 CB ASN A 60 -8.872 10.305 -2.873 1.00 10.00 C ATOM 669 CG ASN A 60 -8.897 11.119 -1.589 1.00 10.00 C ATOM 670 OD1 ASN A 60 -9.174 10.600 -0.509 1.00 10.00 O ATOM 671 ND2 ASN A 60 -8.603 12.403 -1.696 1.00 10.00 N ATOM 0 H ASN A 60 -6.971 7.667 -3.407 1.00 10.00 H new ATOM 0 HA ASN A 60 -7.904 8.774 -1.740 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -8.137 10.732 -3.556 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -9.843 10.377 -3.364 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -8.601 12.997 -0.867 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -8.378 12.800 -2.608 1.00 10.00 H new ATOM 678 N SER A 61 -10.182 7.162 -3.290 1.00 10.00 N ATOM 679 CA SER A 61 -11.367 6.334 -3.122 1.00 10.00 C ATOM 680 C SER A 61 -11.109 5.267 -2.062 1.00 10.00 C ATOM 681 O SER A 61 -12.019 4.843 -1.345 1.00 10.00 O ATOM 682 CB SER A 61 -11.740 5.677 -4.451 1.00 10.00 C ATOM 683 OG SER A 61 -11.443 6.534 -5.540 1.00 10.00 O ATOM 0 H SER A 61 -9.682 7.014 -4.166 1.00 10.00 H new ATOM 0 HA SER A 61 -12.196 6.962 -2.797 1.00 10.00 H new ATOM 0 HB2 SER A 61 -11.196 4.739 -4.563 1.00 10.00 H new ATOM 0 HB3 SER A 61 -12.802 5.432 -4.455 1.00 10.00 H new ATOM 0 HG SER A 61 -10.708 6.154 -6.065 1.00 10.00 H new ATOM 689 N LEU A 62 -9.851 4.851 -1.962 1.00 10.00 N ATOM 690 CA LEU A 62 -9.446 3.839 -1.002 1.00 10.00 C ATOM 691 C LEU A 62 -8.464 4.431 -0.001 1.00 10.00 C ATOM 692 O LEU A 62 -7.485 5.071 -0.384 1.00 10.00 O ATOM 693 CB LEU A 62 -8.794 2.650 -1.718 1.00 10.00 C ATOM 694 CG LEU A 62 -9.671 1.927 -2.745 1.00 10.00 C ATOM 695 CD1 LEU A 62 -8.832 0.951 -3.557 1.00 10.00 C ATOM 696 CD2 LEU A 62 -10.815 1.196 -2.055 1.00 10.00 C ATOM 0 H LEU A 62 -9.090 5.205 -2.542 1.00 10.00 H new ATOM 0 HA LEU A 62 -10.334 3.491 -0.474 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -7.894 3.003 -2.221 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -8.477 1.927 -0.966 1.00 10.00 H new ATOM 0 HG LEU A 62 -10.097 2.670 -3.420 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -9.466 0.443 -4.284 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -8.045 1.495 -4.080 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -8.383 0.215 -2.890 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -11.426 0.689 -2.802 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -10.410 0.462 -1.358 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -11.429 1.913 -1.510 1.00 10.00 H new ATOM 708 N ARG A 63 -8.733 4.222 1.277 1.00 10.00 N ATOM 709 CA ARG A 63 -7.868 4.728 2.325 1.00 10.00 C ATOM 710 C ARG A 63 -7.029 3.599 2.907 1.00 10.00 C ATOM 711 O ARG A 63 -7.546 2.533 3.249 1.00 10.00 O ATOM 712 CB ARG A 63 -8.675 5.423 3.431 1.00 10.00 C ATOM 713 CG ARG A 63 -9.737 4.552 4.090 1.00 10.00 C ATOM 714 CD ARG A 63 -10.326 5.250 5.306 1.00 10.00 C ATOM 715 NE ARG A 63 -11.459 4.525 5.890 1.00 10.00 N ATOM 716 CZ ARG A 63 -12.595 5.112 6.277 1.00 10.00 C ATOM 717 NH1 ARG A 63 -12.804 6.396 6.021 1.00 10.00 N ATOM 718 NH2 ARG A 63 -13.536 4.405 6.888 1.00 10.00 N ATOM 0 H ARG A 63 -9.545 3.704 1.612 1.00 10.00 H new ATOM 0 HA ARG A 63 -7.204 5.470 1.883 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -7.985 5.774 4.199 1.00 10.00 H new ATOM 0 HB3 ARG A 63 -9.158 6.304 3.010 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -10.528 4.330 3.374 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -9.299 3.599 4.388 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -9.549 5.369 6.062 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -10.650 6.251 5.022 1.00 10.00 H new ATOM 0 HE ARG A 63 -11.375 3.515 6.007 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -12.096 6.939 5.527 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -13.673 6.840 6.318 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -13.393 3.410 7.064 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -14.402 4.856 7.182 1.00 10.00 H new ATOM 732 N PHE A 64 -5.730 3.834 2.990 1.00 10.00 N ATOM 733 CA PHE A 64 -4.803 2.850 3.526 1.00 10.00 C ATOM 734 C PHE A 64 -4.676 3.025 5.028 1.00 10.00 C ATOM 735 O PHE A 64 -4.410 4.126 5.508 1.00 10.00 O ATOM 736 CB PHE A 64 -3.435 2.990 2.859 1.00 10.00 C ATOM 737 CG PHE A 64 -3.442 2.618 1.407 1.00 10.00 C ATOM 738 CD1 PHE A 64 -3.797 3.547 0.442 1.00 10.00 C ATOM 739 CD2 PHE A 64 -3.092 1.339 1.004 1.00 10.00 C ATOM 740 CE1 PHE A 64 -3.806 3.207 -0.896 1.00 10.00 C ATOM 741 CE2 PHE A 64 -3.099 0.995 -0.331 1.00 10.00 C ATOM 742 CZ PHE A 64 -3.454 1.930 -1.282 1.00 10.00 C ATOM 0 H PHE A 64 -5.291 4.704 2.691 1.00 10.00 H new ATOM 0 HA PHE A 64 -5.189 1.852 3.317 1.00 10.00 H new ATOM 0 HB2 PHE A 64 -3.092 4.020 2.961 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -2.716 2.361 3.384 1.00 10.00 H new ATOM 0 HD1 PHE A 64 -4.070 4.549 0.740 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -2.811 0.604 1.744 1.00 10.00 H new ATOM 0 HE1 PHE A 64 -4.088 3.939 -1.639 1.00 10.00 H new ATOM 0 HE2 PHE A 64 -2.827 -0.006 -0.632 1.00 10.00 H new ATOM 0 HZ PHE A 64 -3.456 1.662 -2.328 1.00 10.00 H new ATOM 752 N LEU A 65 -4.865 1.944 5.762 1.00 10.00 N ATOM 753 CA LEU A 65 -4.789 1.986 7.209 1.00 10.00 C ATOM 754 C LEU A 65 -3.609 1.170 7.722 1.00 10.00 C ATOM 755 O LEU A 65 -3.460 -0.011 7.402 1.00 10.00 O ATOM 756 CB LEU A 65 -6.093 1.474 7.828 1.00 10.00 C ATOM 757 CG LEU A 65 -7.346 2.275 7.462 1.00 10.00 C ATOM 758 CD1 LEU A 65 -8.595 1.548 7.926 1.00 10.00 C ATOM 759 CD2 LEU A 65 -7.293 3.673 8.066 1.00 10.00 C ATOM 0 H LEU A 65 -5.073 1.023 5.377 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.640 3.024 7.506 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -6.240 0.439 7.521 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -5.986 1.473 8.913 1.00 10.00 H new ATOM 0 HG LEU A 65 -7.381 2.372 6.377 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -9.476 2.131 7.658 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -8.647 0.571 7.446 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -8.560 1.419 9.008 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -8.194 4.222 7.792 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -7.230 3.598 9.152 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -6.417 4.200 7.687 1.00 10.00 H new ATOM 771 N PHE A 66 -2.772 1.830 8.499 1.00 10.00 N ATOM 772 CA PHE A 66 -1.600 1.218 9.098 1.00 10.00 C ATOM 773 C PHE A 66 -1.419 1.794 10.493 1.00 10.00 C ATOM 774 O PHE A 66 -1.513 3.010 10.667 1.00 10.00 O ATOM 775 CB PHE A 66 -0.357 1.485 8.244 1.00 10.00 C ATOM 776 CG PHE A 66 0.884 0.804 8.747 1.00 10.00 C ATOM 777 CD1 PHE A 66 1.015 -0.573 8.661 1.00 10.00 C ATOM 778 CD2 PHE A 66 1.920 1.540 9.301 1.00 10.00 C ATOM 779 CE1 PHE A 66 2.155 -1.203 9.121 1.00 10.00 C ATOM 780 CE2 PHE A 66 3.062 0.914 9.764 1.00 10.00 C ATOM 781 CZ PHE A 66 3.179 -0.458 9.672 1.00 10.00 C ATOM 0 H PHE A 66 -2.887 2.816 8.735 1.00 10.00 H new ATOM 0 HA PHE A 66 -1.737 0.138 9.156 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -0.552 1.156 7.223 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -0.179 2.560 8.204 1.00 10.00 H new ATOM 0 HD1 PHE A 66 0.217 -1.160 8.230 1.00 10.00 H new ATOM 0 HD2 PHE A 66 1.834 2.614 9.372 1.00 10.00 H new ATOM 0 HE1 PHE A 66 2.245 -2.277 9.050 1.00 10.00 H new ATOM 0 HE2 PHE A 66 3.861 1.497 10.197 1.00 10.00 H new ATOM 0 HZ PHE A 66 4.071 -0.949 10.031 1.00 10.00 H new ATOM 791 N GLU A 67 -1.196 0.929 11.481 1.00 10.00 N ATOM 792 CA GLU A 67 -1.032 1.364 12.870 1.00 10.00 C ATOM 793 C GLU A 67 -2.327 1.991 13.383 1.00 10.00 C ATOM 794 O GLU A 67 -2.339 2.703 14.389 1.00 10.00 O ATOM 795 CB GLU A 67 0.127 2.362 13.001 1.00 10.00 C ATOM 796 CG GLU A 67 1.499 1.715 12.965 1.00 10.00 C ATOM 797 CD GLU A 67 1.883 1.112 14.297 1.00 10.00 C ATOM 798 OE1 GLU A 67 1.661 -0.102 14.499 1.00 10.00 O ATOM 799 OE2 GLU A 67 2.410 1.851 15.154 1.00 10.00 O ATOM 0 H GLU A 67 -1.124 -0.080 11.346 1.00 10.00 H new ATOM 0 HA GLU A 67 -0.797 0.488 13.475 1.00 10.00 H new ATOM 0 HB2 GLU A 67 0.059 3.092 12.194 1.00 10.00 H new ATOM 0 HB3 GLU A 67 0.018 2.910 13.937 1.00 10.00 H new ATOM 0 HG2 GLU A 67 1.512 0.939 12.200 1.00 10.00 H new ATOM 0 HG3 GLU A 67 2.242 2.459 12.678 1.00 10.00 H new ATOM 806 N GLY A 68 -3.422 1.707 12.683 1.00 10.00 N ATOM 807 CA GLY A 68 -4.715 2.250 13.050 1.00 10.00 C ATOM 808 C GLY A 68 -4.916 3.656 12.517 1.00 10.00 C ATOM 809 O GLY A 68 -5.931 4.293 12.791 1.00 10.00 O ATOM 0 H GLY A 68 -3.434 1.104 11.860 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -5.502 1.601 12.666 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -4.810 2.258 14.136 1.00 10.00 H new ATOM 813 N GLN A 69 -3.944 4.138 11.754 1.00 10.00 N ATOM 814 CA GLN A 69 -4.001 5.475 11.177 1.00 10.00 C ATOM 815 C GLN A 69 -4.037 5.388 9.657 1.00 10.00 C ATOM 816 O GLN A 69 -3.674 4.361 9.082 1.00 10.00 O ATOM 817 CB GLN A 69 -2.782 6.287 11.616 1.00 10.00 C ATOM 818 CG GLN A 69 -2.545 6.266 13.117 1.00 10.00 C ATOM 819 CD GLN A 69 -1.077 6.400 13.478 1.00 10.00 C ATOM 820 OE1 GLN A 69 -0.200 5.988 12.722 1.00 10.00 O ATOM 821 NE2 GLN A 69 -0.800 6.979 14.634 1.00 10.00 N ATOM 0 H GLN A 69 -3.099 3.617 11.519 1.00 10.00 H new ATOM 0 HA GLN A 69 -4.907 5.969 11.528 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -1.897 5.899 11.111 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -2.908 7.320 11.291 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -3.105 7.078 13.581 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -2.933 5.335 13.529 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -1.557 7.308 15.234 1.00 10.00 H new ATOM 0 HE22 GLN A 69 0.170 7.097 14.926 1.00 10.00 H new ATOM 830 N ARG A 70 -4.476 6.453 9.003 1.00 10.00 N ATOM 831 CA ARG A 70 -4.533 6.466 7.548 1.00 10.00 C ATOM 832 C ARG A 70 -3.229 7.004 6.973 1.00 10.00 C ATOM 833 O ARG A 70 -2.745 8.061 7.378 1.00 10.00 O ATOM 834 CB ARG A 70 -5.734 7.275 7.041 1.00 10.00 C ATOM 835 CG ARG A 70 -5.832 8.679 7.613 1.00 10.00 C ATOM 836 CD ARG A 70 -7.184 9.305 7.306 1.00 10.00 C ATOM 837 NE ARG A 70 -7.335 9.639 5.884 1.00 10.00 N ATOM 838 CZ ARG A 70 -8.428 9.377 5.157 1.00 10.00 C ATOM 839 NH1 ARG A 70 -9.446 8.709 5.686 1.00 10.00 N ATOM 840 NH2 ARG A 70 -8.498 9.780 3.892 1.00 10.00 N ATOM 0 H ARG A 70 -4.795 7.312 9.451 1.00 10.00 H new ATOM 0 HA ARG A 70 -4.665 5.440 7.205 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -5.679 7.342 5.954 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -6.649 6.733 7.281 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -5.680 8.646 8.692 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -5.038 9.300 7.198 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -7.976 8.616 7.601 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -7.308 10.208 7.904 1.00 10.00 H new ATOM 0 HE ARG A 70 -6.554 10.102 5.419 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -9.399 8.391 6.654 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -10.275 8.514 5.124 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -7.719 10.289 3.475 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -9.331 9.580 3.338 1.00 10.00 H new ATOM 854 N ILE A 71 -2.656 6.253 6.044 1.00 10.00 N ATOM 855 CA ILE A 71 -1.399 6.631 5.408 1.00 10.00 C ATOM 856 C ILE A 71 -1.565 7.895 4.569 1.00 10.00 C ATOM 857 O ILE A 71 -2.357 7.928 3.622 1.00 10.00 O ATOM 858 CB ILE A 71 -0.855 5.487 4.518 1.00 10.00 C ATOM 859 CG1 ILE A 71 -0.512 4.263 5.374 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.365 5.944 3.728 1.00 10.00 C ATOM 861 CD1 ILE A 71 0.517 4.541 6.451 1.00 10.00 C ATOM 0 H ILE A 71 -3.044 5.371 5.711 1.00 10.00 H new ATOM 0 HA ILE A 71 -0.682 6.828 6.205 1.00 10.00 H new ATOM 0 HB ILE A 71 -1.633 5.209 3.807 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.423 3.891 5.842 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.141 3.470 4.725 1.00 10.00 H new ATOM 0 HG21 ILE A 71 0.728 5.122 3.111 1.00 10.00 H new ATOM 0 HG22 ILE A 71 0.091 6.784 3.089 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.150 6.254 4.418 1.00 10.00 H new ATOM 0 HD11 ILE A 71 0.709 3.628 7.015 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.443 4.883 5.990 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.140 5.311 7.124 1.00 10.00 H new ATOM 873 N ALA A 72 -0.813 8.929 4.921 1.00 10.00 N ATOM 874 CA ALA A 72 -0.863 10.195 4.207 1.00 10.00 C ATOM 875 C ALA A 72 -0.066 10.107 2.911 1.00 10.00 C ATOM 876 O ALA A 72 0.722 9.180 2.718 1.00 10.00 O ATOM 877 CB ALA A 72 -0.324 11.315 5.085 1.00 10.00 C ATOM 0 H ALA A 72 -0.157 8.914 5.702 1.00 10.00 H new ATOM 0 HA ALA A 72 -1.902 10.414 3.959 1.00 10.00 H new ATOM 0 HB1 ALA A 72 -0.367 12.258 4.539 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -0.928 11.391 5.989 1.00 10.00 H new ATOM 0 HB3 ALA A 72 0.709 11.099 5.356 1.00 10.00 H new ATOM 883 N ASP A 73 -0.265 11.073 2.029 1.00 10.00 N ATOM 884 CA ASP A 73 0.433 11.096 0.747 1.00 10.00 C ATOM 885 C ASP A 73 1.899 11.477 0.925 1.00 10.00 C ATOM 886 O ASP A 73 2.736 11.165 0.081 1.00 10.00 O ATOM 887 CB ASP A 73 -0.243 12.076 -0.218 1.00 10.00 C ATOM 888 CG ASP A 73 -1.395 11.455 -0.987 1.00 10.00 C ATOM 889 OD1 ASP A 73 -1.896 10.389 -0.570 1.00 10.00 O ATOM 890 OD2 ASP A 73 -1.811 12.035 -2.015 1.00 10.00 O ATOM 0 H ASP A 73 -0.905 11.854 2.175 1.00 10.00 H new ATOM 0 HA ASP A 73 0.385 10.091 0.327 1.00 10.00 H new ATOM 0 HB2 ASP A 73 -0.610 12.935 0.344 1.00 10.00 H new ATOM 0 HB3 ASP A 73 0.498 12.450 -0.925 1.00 10.00 H new ATOM 895 N ASN A 74 2.208 12.140 2.034 1.00 10.00 N ATOM 896 CA ASN A 74 3.578 12.567 2.312 1.00 10.00 C ATOM 897 C ASN A 74 4.307 11.571 3.210 1.00 10.00 C ATOM 898 O ASN A 74 5.460 11.792 3.581 1.00 10.00 O ATOM 899 CB ASN A 74 3.588 13.957 2.962 1.00 10.00 C ATOM 900 CG ASN A 74 3.072 13.953 4.394 1.00 10.00 C ATOM 901 OD1 ASN A 74 1.866 14.020 4.631 1.00 10.00 O ATOM 902 ND2 ASN A 74 3.981 13.886 5.355 1.00 10.00 N ATOM 0 H ASN A 74 1.532 12.394 2.754 1.00 10.00 H new ATOM 0 HA ASN A 74 4.104 12.612 1.358 1.00 10.00 H new ATOM 0 HB2 ASN A 74 4.605 14.349 2.950 1.00 10.00 H new ATOM 0 HB3 ASN A 74 2.978 14.635 2.365 1.00 10.00 H new ATOM 0 HD21 ASN A 74 3.691 13.889 6.333 1.00 10.00 H new ATOM 0 HD22 ASN A 74 4.971 13.832 5.117 1.00 10.00 H new ATOM 909 N HIS A 75 3.642 10.472 3.539 1.00 10.00 N ATOM 910 CA HIS A 75 4.230 9.453 4.399 1.00 10.00 C ATOM 911 C HIS A 75 5.245 8.609 3.636 1.00 10.00 C ATOM 912 O HIS A 75 5.071 8.324 2.450 1.00 10.00 O ATOM 913 CB HIS A 75 3.142 8.550 4.989 1.00 10.00 C ATOM 914 CG HIS A 75 2.607 9.030 6.303 1.00 10.00 C ATOM 915 ND1 HIS A 75 1.371 8.640 6.765 1.00 10.00 N ATOM 916 CD2 HIS A 75 3.176 9.854 7.213 1.00 10.00 C ATOM 917 CE1 HIS A 75 1.220 9.232 7.937 1.00 10.00 C ATOM 918 NE2 HIS A 75 2.287 9.978 8.248 1.00 10.00 N ATOM 0 H HIS A 75 2.695 10.263 3.224 1.00 10.00 H new ATOM 0 HA HIS A 75 4.746 9.964 5.212 1.00 10.00 H new ATOM 0 HB2 HIS A 75 2.320 8.475 4.278 1.00 10.00 H new ATOM 0 HB3 HIS A 75 3.546 7.546 5.116 1.00 10.00 H new ATOM 0 HD2 HIS A 75 4.145 10.324 7.138 1.00 10.00 H new ATOM 0 HE1 HIS A 75 0.347 9.127 8.564 1.00 10.00 H new ATOM 0 HE2 HIS A 75 2.414 10.533 9.094 1.00 10.00 H new ATOM 926 N THR A 76 6.303 8.217 4.325 1.00 10.00 N ATOM 927 CA THR A 76 7.346 7.398 3.735 1.00 10.00 C ATOM 928 C THR A 76 7.497 6.088 4.516 1.00 10.00 C ATOM 929 O THR A 76 7.254 6.060 5.719 1.00 10.00 O ATOM 930 CB THR A 76 8.689 8.158 3.721 1.00 10.00 C ATOM 931 OG1 THR A 76 8.532 9.443 4.347 1.00 10.00 O ATOM 932 CG2 THR A 76 9.188 8.347 2.297 1.00 10.00 C ATOM 0 H THR A 76 6.462 8.456 5.304 1.00 10.00 H new ATOM 0 HA THR A 76 7.063 7.169 2.708 1.00 10.00 H new ATOM 0 HB THR A 76 9.420 7.568 4.273 1.00 10.00 H new ATOM 0 HG1 THR A 76 8.291 9.321 5.289 1.00 10.00 H new ATOM 0 HG21 THR A 76 10.136 8.885 2.312 1.00 10.00 H new ATOM 0 HG22 THR A 76 9.331 7.373 1.829 1.00 10.00 H new ATOM 0 HG23 THR A 76 8.455 8.919 1.728 1.00 10.00 H new ATOM 940 N PRO A 77 7.904 4.989 3.852 1.00 10.00 N ATOM 941 CA PRO A 77 8.076 3.678 4.510 1.00 10.00 C ATOM 942 C PRO A 77 9.167 3.687 5.585 1.00 10.00 C ATOM 943 O PRO A 77 9.261 2.767 6.399 1.00 10.00 O ATOM 944 CB PRO A 77 8.471 2.740 3.361 1.00 10.00 C ATOM 945 CG PRO A 77 8.078 3.453 2.114 1.00 10.00 C ATOM 946 CD PRO A 77 8.209 4.917 2.415 1.00 10.00 C ATOM 0 HA PRO A 77 7.168 3.378 5.034 1.00 10.00 H new ATOM 0 HB2 PRO A 77 9.541 2.532 3.374 1.00 10.00 H new ATOM 0 HB3 PRO A 77 7.959 1.781 3.443 1.00 10.00 H new ATOM 0 HG2 PRO A 77 8.721 3.167 1.282 1.00 10.00 H new ATOM 0 HG3 PRO A 77 7.056 3.204 1.828 1.00 10.00 H new ATOM 0 HD2 PRO A 77 9.211 5.286 2.196 1.00 10.00 H new ATOM 0 HD3 PRO A 77 7.514 5.514 1.825 1.00 10.00 H new ATOM 954 N LYS A 78 9.984 4.732 5.582 1.00 10.00 N ATOM 955 CA LYS A 78 11.063 4.867 6.550 1.00 10.00 C ATOM 956 C LYS A 78 10.502 5.183 7.938 1.00 10.00 C ATOM 957 O LYS A 78 11.080 4.796 8.958 1.00 10.00 O ATOM 958 CB LYS A 78 12.034 5.968 6.098 1.00 10.00 C ATOM 959 CG LYS A 78 13.191 6.214 7.061 1.00 10.00 C ATOM 960 CD LYS A 78 14.162 5.039 7.108 1.00 10.00 C ATOM 961 CE LYS A 78 14.978 4.922 5.827 1.00 10.00 C ATOM 962 NZ LYS A 78 16.069 3.913 5.951 1.00 10.00 N ATOM 0 H LYS A 78 9.919 5.502 4.916 1.00 10.00 H new ATOM 0 HA LYS A 78 11.604 3.923 6.609 1.00 10.00 H new ATOM 0 HB2 LYS A 78 12.439 5.702 5.122 1.00 10.00 H new ATOM 0 HB3 LYS A 78 11.478 6.897 5.970 1.00 10.00 H new ATOM 0 HG2 LYS A 78 13.727 7.114 6.760 1.00 10.00 H new ATOM 0 HG3 LYS A 78 12.797 6.397 8.061 1.00 10.00 H new ATOM 0 HD2 LYS A 78 14.835 5.159 7.957 1.00 10.00 H new ATOM 0 HD3 LYS A 78 13.606 4.115 7.269 1.00 10.00 H new ATOM 0 HE2 LYS A 78 14.321 4.646 5.002 1.00 10.00 H new ATOM 0 HE3 LYS A 78 15.408 5.893 5.581 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 16.600 3.864 5.058 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 16.711 4.189 6.721 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 15.658 2.981 6.160 1.00 10.00 H new ATOM 976 N GLU A 79 9.363 5.861 7.970 1.00 10.00 N ATOM 977 CA GLU A 79 8.730 6.236 9.227 1.00 10.00 C ATOM 978 C GLU A 79 7.579 5.290 9.551 1.00 10.00 C ATOM 979 O GLU A 79 7.354 4.316 8.828 1.00 10.00 O ATOM 980 CB GLU A 79 8.227 7.682 9.158 1.00 10.00 C ATOM 981 CG GLU A 79 7.093 7.892 8.166 1.00 10.00 C ATOM 982 CD GLU A 79 6.928 9.338 7.764 1.00 10.00 C ATOM 983 OE1 GLU A 79 6.614 10.171 8.639 1.00 10.00 O ATOM 984 OE2 GLU A 79 7.117 9.646 6.571 1.00 10.00 O ATOM 0 H GLU A 79 8.857 6.163 7.137 1.00 10.00 H new ATOM 0 HA GLU A 79 9.472 6.161 10.022 1.00 10.00 H new ATOM 0 HB2 GLU A 79 7.891 7.988 10.149 1.00 10.00 H new ATOM 0 HB3 GLU A 79 9.058 8.333 8.888 1.00 10.00 H new ATOM 0 HG2 GLU A 79 7.279 7.291 7.276 1.00 10.00 H new ATOM 0 HG3 GLU A 79 6.162 7.533 8.604 1.00 10.00 H new ATOM 991 N LEU A 80 6.880 5.574 10.657 1.00 10.00 N ATOM 992 CA LEU A 80 5.735 4.777 11.118 1.00 10.00 C ATOM 993 C LEU A 80 6.180 3.438 11.702 1.00 10.00 C ATOM 994 O LEU A 80 5.672 3.004 12.735 1.00 10.00 O ATOM 995 CB LEU A 80 4.721 4.558 9.988 1.00 10.00 C ATOM 996 CG LEU A 80 4.044 5.830 9.470 1.00 10.00 C ATOM 997 CD1 LEU A 80 3.774 5.726 7.978 1.00 10.00 C ATOM 998 CD2 LEU A 80 2.748 6.083 10.223 1.00 10.00 C ATOM 0 H LEU A 80 7.094 6.368 11.261 1.00 10.00 H new ATOM 0 HA LEU A 80 5.248 5.344 11.912 1.00 10.00 H new ATOM 0 HB2 LEU A 80 5.227 4.069 9.156 1.00 10.00 H new ATOM 0 HB3 LEU A 80 3.951 3.872 10.340 1.00 10.00 H new ATOM 0 HG LEU A 80 4.718 6.670 9.640 1.00 10.00 H new ATOM 0 HD11 LEU A 80 3.293 6.640 7.631 1.00 10.00 H new ATOM 0 HD12 LEU A 80 4.716 5.587 7.447 1.00 10.00 H new ATOM 0 HD13 LEU A 80 3.120 4.876 7.785 1.00 10.00 H new ATOM 0 HD21 LEU A 80 2.278 6.990 9.844 1.00 10.00 H new ATOM 0 HD22 LEU A 80 2.074 5.239 10.081 1.00 10.00 H new ATOM 0 HD23 LEU A 80 2.962 6.202 11.285 1.00 10.00 H new ATOM 1010 N GLY A 81 7.127 2.791 11.040 1.00 10.00 N ATOM 1011 CA GLY A 81 7.626 1.519 11.512 1.00 10.00 C ATOM 1012 C GLY A 81 7.227 0.373 10.609 1.00 10.00 C ATOM 1013 O GLY A 81 6.780 -0.670 11.081 1.00 10.00 O ATOM 0 H GLY A 81 7.560 3.127 10.180 1.00 10.00 H new ATOM 0 HA2 GLY A 81 8.713 1.561 11.582 1.00 10.00 H new ATOM 0 HA3 GLY A 81 7.249 1.334 12.518 1.00 10.00 H new ATOM 1017 N MET A 82 7.391 0.566 9.306 1.00 10.00 N ATOM 1018 CA MET A 82 7.044 -0.465 8.336 1.00 10.00 C ATOM 1019 C MET A 82 8.157 -1.499 8.234 1.00 10.00 C ATOM 1020 O MET A 82 9.314 -1.159 7.971 1.00 10.00 O ATOM 1021 CB MET A 82 6.774 0.158 6.965 1.00 10.00 C ATOM 1022 CG MET A 82 5.435 0.871 6.877 1.00 10.00 C ATOM 1023 SD MET A 82 5.124 1.576 5.247 1.00 10.00 S ATOM 1024 CE MET A 82 3.408 2.054 5.422 1.00 10.00 C ATOM 0 H MET A 82 7.761 1.424 8.898 1.00 10.00 H new ATOM 0 HA MET A 82 6.137 -0.964 8.677 1.00 10.00 H new ATOM 0 HB2 MET A 82 7.570 0.866 6.733 1.00 10.00 H new ATOM 0 HB3 MET A 82 6.811 -0.623 6.206 1.00 10.00 H new ATOM 0 HG2 MET A 82 4.638 0.169 7.122 1.00 10.00 H new ATOM 0 HG3 MET A 82 5.401 1.665 7.623 1.00 10.00 H new ATOM 0 HE1 MET A 82 3.061 2.509 4.494 1.00 10.00 H new ATOM 0 HE2 MET A 82 2.805 1.173 5.642 1.00 10.00 H new ATOM 0 HE3 MET A 82 3.311 2.772 6.237 1.00 10.00 H new ATOM 1034 N GLU A 83 7.812 -2.755 8.459 1.00 10.00 N ATOM 1035 CA GLU A 83 8.788 -3.832 8.394 1.00 10.00 C ATOM 1036 C GLU A 83 8.471 -4.788 7.249 1.00 10.00 C ATOM 1037 O GLU A 83 7.528 -4.576 6.487 1.00 10.00 O ATOM 1038 CB GLU A 83 8.814 -4.604 9.715 1.00 10.00 C ATOM 1039 CG GLU A 83 8.928 -3.718 10.945 1.00 10.00 C ATOM 1040 CD GLU A 83 9.356 -4.494 12.169 1.00 10.00 C ATOM 1041 OE1 GLU A 83 8.511 -5.188 12.772 1.00 10.00 O ATOM 1042 OE2 GLU A 83 10.546 -4.414 12.539 1.00 10.00 O ATOM 0 H GLU A 83 6.865 -3.055 8.688 1.00 10.00 H new ATOM 0 HA GLU A 83 9.767 -3.388 8.216 1.00 10.00 H new ATOM 0 HB2 GLU A 83 7.906 -5.202 9.793 1.00 10.00 H new ATOM 0 HB3 GLU A 83 9.653 -5.300 9.701 1.00 10.00 H new ATOM 0 HG2 GLU A 83 9.647 -2.922 10.752 1.00 10.00 H new ATOM 0 HG3 GLU A 83 7.967 -3.240 11.137 1.00 10.00 H new ATOM 1049 N GLU A 84 9.273 -5.836 7.130 1.00 10.00 N ATOM 1050 CA GLU A 84 9.070 -6.838 6.100 1.00 10.00 C ATOM 1051 C GLU A 84 7.937 -7.756 6.531 1.00 10.00 C ATOM 1052 O GLU A 84 7.823 -8.081 7.717 1.00 10.00 O ATOM 1053 CB GLU A 84 10.362 -7.632 5.876 1.00 10.00 C ATOM 1054 CG GLU A 84 10.193 -8.884 5.030 1.00 10.00 C ATOM 1055 CD GLU A 84 9.923 -8.586 3.570 1.00 10.00 C ATOM 1056 OE1 GLU A 84 10.351 -7.516 3.082 1.00 10.00 O ATOM 1057 OE2 GLU A 84 9.303 -9.435 2.893 1.00 10.00 O ATOM 0 H GLU A 84 10.073 -6.013 7.738 1.00 10.00 H new ATOM 0 HA GLU A 84 8.806 -6.358 5.158 1.00 10.00 H new ATOM 0 HB2 GLU A 84 11.095 -6.982 5.398 1.00 10.00 H new ATOM 0 HB3 GLU A 84 10.772 -7.916 6.845 1.00 10.00 H new ATOM 0 HG2 GLU A 84 11.094 -9.492 5.109 1.00 10.00 H new ATOM 0 HG3 GLU A 84 9.371 -9.477 5.431 1.00 10.00 H new ATOM 1064 N GLU A 85 7.087 -8.139 5.579 1.00 10.00 N ATOM 1065 CA GLU A 85 5.943 -9.009 5.853 1.00 10.00 C ATOM 1066 C GLU A 85 4.926 -8.289 6.734 1.00 10.00 C ATOM 1067 O GLU A 85 4.154 -8.922 7.456 1.00 10.00 O ATOM 1068 CB GLU A 85 6.387 -10.317 6.524 1.00 10.00 C ATOM 1069 CG GLU A 85 6.973 -11.335 5.559 1.00 10.00 C ATOM 1070 CD GLU A 85 5.912 -12.087 4.785 1.00 10.00 C ATOM 1071 OE1 GLU A 85 5.040 -12.725 5.420 1.00 10.00 O ATOM 1072 OE2 GLU A 85 5.948 -12.054 3.542 1.00 10.00 O ATOM 0 H GLU A 85 7.170 -7.857 4.602 1.00 10.00 H new ATOM 0 HA GLU A 85 5.476 -9.257 4.899 1.00 10.00 H new ATOM 0 HB2 GLU A 85 7.128 -10.088 7.290 1.00 10.00 H new ATOM 0 HB3 GLU A 85 5.531 -10.762 7.032 1.00 10.00 H new ATOM 0 HG2 GLU A 85 7.635 -10.826 4.859 1.00 10.00 H new ATOM 0 HG3 GLU A 85 7.584 -12.046 6.115 1.00 10.00 H new ATOM 1079 N ASP A 86 4.925 -6.962 6.660 1.00 10.00 N ATOM 1080 CA ASP A 86 4.007 -6.153 7.454 1.00 10.00 C ATOM 1081 C ASP A 86 2.592 -6.244 6.901 1.00 10.00 C ATOM 1082 O ASP A 86 2.392 -6.632 5.748 1.00 10.00 O ATOM 1083 CB ASP A 86 4.461 -4.696 7.487 1.00 10.00 C ATOM 1084 CG ASP A 86 4.269 -4.073 8.852 1.00 10.00 C ATOM 1085 OD1 ASP A 86 3.199 -4.289 9.465 1.00 10.00 O ATOM 1086 OD2 ASP A 86 5.191 -3.375 9.322 1.00 10.00 O ATOM 0 H ASP A 86 5.549 -6.424 6.059 1.00 10.00 H new ATOM 0 HA ASP A 86 4.010 -6.544 8.472 1.00 10.00 H new ATOM 0 HB2 ASP A 86 5.513 -4.638 7.207 1.00 10.00 H new ATOM 0 HB3 ASP A 86 3.901 -4.125 6.746 1.00 10.00 H new ATOM 1091 N VAL A 87 1.617 -5.871 7.713 1.00 10.00 N ATOM 1092 CA VAL A 87 0.223 -5.937 7.306 1.00 10.00 C ATOM 1093 C VAL A 87 -0.392 -4.544 7.210 1.00 10.00 C ATOM 1094 O VAL A 87 -0.372 -3.773 8.170 1.00 10.00 O ATOM 1095 CB VAL A 87 -0.607 -6.793 8.290 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -2.085 -6.771 7.924 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -0.086 -8.221 8.332 1.00 10.00 C ATOM 0 H VAL A 87 1.765 -5.519 8.659 1.00 10.00 H new ATOM 0 HA VAL A 87 0.201 -6.404 6.321 1.00 10.00 H new ATOM 0 HB VAL A 87 -0.500 -6.359 9.284 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -2.645 -7.381 8.633 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -2.453 -5.746 7.958 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -2.217 -7.170 6.918 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -0.684 -8.806 9.031 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -0.154 -8.662 7.338 1.00 10.00 H new ATOM 0 HG23 VAL A 87 0.954 -8.219 8.658 1.00 10.00 H new ATOM 1107 N ILE A 88 -0.927 -4.229 6.041 1.00 10.00 N ATOM 1108 CA ILE A 88 -1.568 -2.946 5.810 1.00 10.00 C ATOM 1109 C ILE A 88 -2.978 -3.172 5.263 1.00 10.00 C ATOM 1110 O ILE A 88 -3.196 -4.060 4.434 1.00 10.00 O ATOM 1111 CB ILE A 88 -0.737 -2.056 4.845 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -1.414 -0.698 4.632 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -0.518 -2.756 3.510 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -0.552 0.303 3.891 1.00 10.00 C ATOM 0 H ILE A 88 -0.929 -4.850 5.232 1.00 10.00 H new ATOM 0 HA ILE A 88 -1.631 -2.415 6.760 1.00 10.00 H new ATOM 0 HB ILE A 88 0.236 -1.885 5.306 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.340 -0.847 4.077 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -1.686 -0.282 5.602 1.00 10.00 H new ATOM 0 HG21 ILE A 88 0.066 -2.112 2.853 1.00 10.00 H new ATOM 0 HG22 ILE A 88 0.019 -3.691 3.673 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -1.482 -2.967 3.047 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.098 1.240 3.778 1.00 10.00 H new ATOM 0 HD12 ILE A 88 0.364 0.482 4.455 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.301 -0.092 2.907 1.00 10.00 H new ATOM 1126 N GLU A 89 -3.932 -2.393 5.753 1.00 10.00 N ATOM 1127 CA GLU A 89 -5.318 -2.525 5.323 1.00 10.00 C ATOM 1128 C GLU A 89 -5.702 -1.406 4.367 1.00 10.00 C ATOM 1129 O GLU A 89 -5.089 -0.339 4.361 1.00 10.00 O ATOM 1130 CB GLU A 89 -6.255 -2.515 6.531 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.063 -3.697 7.464 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.077 -3.718 8.589 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.238 -4.100 8.343 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -6.715 -3.357 9.729 1.00 10.00 O ATOM 0 H GLU A 89 -3.773 -1.664 6.448 1.00 10.00 H new ATOM 0 HA GLU A 89 -5.416 -3.477 4.801 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -6.101 -1.593 7.091 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -7.287 -2.505 6.179 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -6.139 -4.622 6.893 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -5.058 -3.664 7.885 1.00 10.00 H new ATOM 1141 N VAL A 90 -6.721 -1.656 3.560 1.00 10.00 N ATOM 1142 CA VAL A 90 -7.205 -0.674 2.604 1.00 10.00 C ATOM 1143 C VAL A 90 -8.716 -0.823 2.424 1.00 10.00 C ATOM 1144 O VAL A 90 -9.212 -1.907 2.122 1.00 10.00 O ATOM 1145 CB VAL A 90 -6.476 -0.806 1.241 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -6.583 -2.221 0.684 1.00 10.00 C ATOM 1147 CG2 VAL A 90 -7.013 0.205 0.242 1.00 10.00 C ATOM 0 H VAL A 90 -7.232 -2.539 3.549 1.00 10.00 H new ATOM 0 HA VAL A 90 -6.990 0.320 2.996 1.00 10.00 H new ATOM 0 HB VAL A 90 -5.420 -0.596 1.412 1.00 10.00 H new ATOM 0 HG11 VAL A 90 -6.061 -2.276 -0.271 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -6.132 -2.923 1.385 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -7.633 -2.477 0.539 1.00 10.00 H new ATOM 0 HG21 VAL A 90 -6.487 0.094 -0.706 1.00 10.00 H new ATOM 0 HG22 VAL A 90 -8.078 0.034 0.088 1.00 10.00 H new ATOM 0 HG23 VAL A 90 -6.859 1.213 0.626 1.00 10.00 H new ATOM 1157 N TYR A 91 -9.446 0.262 2.650 1.00 10.00 N ATOM 1158 CA TYR A 91 -10.899 0.242 2.525 1.00 10.00 C ATOM 1159 C TYR A 91 -11.393 1.464 1.768 1.00 10.00 C ATOM 1160 O TYR A 91 -10.674 2.452 1.634 1.00 10.00 O ATOM 1161 CB TYR A 91 -11.554 0.187 3.909 1.00 10.00 C ATOM 1162 CG TYR A 91 -11.233 -1.073 4.678 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -11.858 -2.272 4.372 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -10.289 -1.066 5.697 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -11.556 -3.430 5.059 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -9.984 -2.218 6.392 1.00 10.00 C ATOM 1167 CZ TYR A 91 -10.616 -3.398 6.067 1.00 10.00 C ATOM 1168 OH TYR A 91 -10.301 -4.551 6.746 1.00 10.00 O ATOM 0 H TYR A 91 -9.057 1.165 2.920 1.00 10.00 H new ATOM 0 HA TYR A 91 -11.177 -0.650 1.964 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -11.230 1.050 4.490 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -12.635 0.268 3.794 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -12.594 -2.300 3.582 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -9.786 -0.144 5.949 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -12.053 -4.356 4.809 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -9.253 -2.195 7.187 1.00 10.00 H new ATOM 0 HH TYR A 91 -9.684 -4.341 7.478 1.00 10.00 H new ATOM 1178 N GLN A 92 -12.620 1.391 1.283 1.00 10.00 N ATOM 1179 CA GLN A 92 -13.215 2.487 0.532 1.00 10.00 C ATOM 1180 C GLN A 92 -13.674 3.595 1.467 1.00 10.00 C ATOM 1181 O GLN A 92 -14.264 3.331 2.514 1.00 10.00 O ATOM 1182 CB GLN A 92 -14.404 1.984 -0.291 1.00 10.00 C ATOM 1183 CG GLN A 92 -14.906 2.984 -1.322 1.00 10.00 C ATOM 1184 CD GLN A 92 -16.394 2.852 -1.582 1.00 10.00 C ATOM 1185 OE1 GLN A 92 -16.824 2.051 -2.411 1.00 10.00 O ATOM 1186 NE2 GLN A 92 -17.189 3.646 -0.882 1.00 10.00 N ATOM 0 H GLN A 92 -13.228 0.580 1.396 1.00 10.00 H new ATOM 0 HA GLN A 92 -12.456 2.887 -0.140 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -14.118 1.064 -0.801 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -15.221 1.733 0.385 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -14.689 3.995 -0.978 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -14.363 2.841 -2.256 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -16.792 4.296 -0.204 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -18.199 3.607 -1.021 1.00 10.00 H new ATOM 1195 N GLU A 93 -13.386 4.831 1.089 1.00 10.00 N ATOM 1196 CA GLU A 93 -13.789 5.983 1.878 1.00 10.00 C ATOM 1197 C GLU A 93 -15.287 6.220 1.721 1.00 10.00 C ATOM 1198 O GLU A 93 -15.897 5.761 0.752 1.00 10.00 O ATOM 1199 CB GLU A 93 -13.016 7.229 1.439 1.00 10.00 C ATOM 1200 CG GLU A 93 -11.575 7.263 1.919 1.00 10.00 C ATOM 1201 CD GLU A 93 -11.364 8.235 3.063 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -11.632 7.870 4.222 1.00 10.00 O ATOM 1203 OE2 GLU A 93 -10.921 9.371 2.810 1.00 10.00 O ATOM 0 H GLU A 93 -12.873 5.061 0.238 1.00 10.00 H new ATOM 0 HA GLU A 93 -13.564 5.784 2.926 1.00 10.00 H new ATOM 0 HB2 GLU A 93 -13.027 7.286 0.351 1.00 10.00 H new ATOM 0 HB3 GLU A 93 -13.533 8.114 1.810 1.00 10.00 H new ATOM 0 HG2 GLU A 93 -11.278 6.264 2.237 1.00 10.00 H new ATOM 0 HG3 GLU A 93 -10.926 7.539 1.088 1.00 10.00 H new ATOM 1210 N GLN A 94 -15.876 6.939 2.668 1.00 10.00 N ATOM 1211 CA GLN A 94 -17.303 7.236 2.623 1.00 10.00 C ATOM 1212 C GLN A 94 -17.609 8.207 1.485 1.00 10.00 C ATOM 1213 O GLN A 94 -18.733 8.269 0.985 1.00 10.00 O ATOM 1214 CB GLN A 94 -17.760 7.824 3.957 1.00 10.00 C ATOM 1215 CG GLN A 94 -19.269 7.881 4.118 1.00 10.00 C ATOM 1216 CD GLN A 94 -19.693 8.474 5.444 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -19.886 9.684 5.566 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -19.833 7.629 6.451 1.00 10.00 N ATOM 0 H GLN A 94 -15.389 7.327 3.476 1.00 10.00 H new ATOM 0 HA GLN A 94 -17.847 6.309 2.443 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -17.340 7.229 4.768 1.00 10.00 H new ATOM 0 HB3 GLN A 94 -17.355 8.831 4.057 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -19.695 8.473 3.307 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -19.678 6.875 4.027 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -19.664 6.633 6.309 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -20.110 7.973 7.370 1.00 10.00 H new ATOM 1227 N THR A 95 -16.593 8.954 1.082 1.00 10.00 N ATOM 1228 CA THR A 95 -16.725 9.918 0.007 1.00 10.00 C ATOM 1229 C THR A 95 -16.868 9.207 -1.334 1.00 10.00 C ATOM 1230 O THR A 95 -17.881 9.344 -2.024 1.00 10.00 O ATOM 1231 CB THR A 95 -15.494 10.837 -0.036 1.00 10.00 C ATOM 1232 OG1 THR A 95 -14.316 10.062 0.227 1.00 10.00 O ATOM 1233 CG2 THR A 95 -15.612 11.952 0.991 1.00 10.00 C ATOM 0 H THR A 95 -15.659 8.908 1.490 1.00 10.00 H new ATOM 0 HA THR A 95 -17.618 10.515 0.193 1.00 10.00 H new ATOM 0 HB THR A 95 -15.430 11.289 -1.026 1.00 10.00 H new ATOM 0 HG1 THR A 95 -13.528 10.644 0.199 1.00 10.00 H new ATOM 0 HG21 THR A 95 -14.728 12.588 0.940 1.00 10.00 H new ATOM 0 HG22 THR A 95 -16.501 12.547 0.781 1.00 10.00 H new ATOM 0 HG23 THR A 95 -15.692 11.521 1.989 1.00 10.00 H new ATOM 1241 N GLY A 96 -15.850 8.433 -1.685 1.00 10.00 N ATOM 1242 CA GLY A 96 -15.857 7.703 -2.935 1.00 10.00 C ATOM 1243 C GLY A 96 -14.778 8.191 -3.875 1.00 10.00 C ATOM 1244 O GLY A 96 -14.682 7.735 -5.013 1.00 10.00 O ATOM 0 H GLY A 96 -15.012 8.298 -1.119 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -15.713 6.641 -2.737 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -16.831 7.809 -3.413 1.00 10.00 H new ATOM 1248 N GLY A 97 -13.977 9.129 -3.395 1.00 10.00 N ATOM 1249 CA GLY A 97 -12.903 9.675 -4.191 1.00 10.00 C ATOM 1250 C GLY A 97 -12.734 11.155 -3.943 1.00 10.00 C ATOM 1251 O GLY A 97 -12.189 11.853 -4.823 1.00 10.00 O ATOM 0 H GLY A 97 -14.055 9.524 -2.458 1.00 10.00 H new ATOM 0 HA2 GLY A 97 -11.974 9.156 -3.956 1.00 10.00 H new ATOM 0 HA3 GLY A 97 -13.106 9.502 -5.248 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASN B 357 -3.979 -20.178 -3.749 1.00 10.00 N ATOM 1257 CA ASN B 357 -2.961 -19.151 -3.442 1.00 10.00 C ATOM 1258 C ASN B 357 -3.494 -17.768 -3.779 1.00 10.00 C ATOM 1259 O ASN B 357 -4.212 -17.593 -4.762 1.00 10.00 O ATOM 1260 CB ASN B 357 -1.668 -19.418 -4.225 1.00 10.00 C ATOM 1261 CG ASN B 357 -1.856 -19.338 -5.732 1.00 10.00 C ATOM 1262 OD1 ASN B 357 -2.894 -19.738 -6.262 1.00 10.00 O ATOM 1263 ND2 ASN B 357 -0.859 -18.818 -6.429 1.00 10.00 N ATOM 0 HA ASN B 357 -2.738 -19.198 -2.376 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -0.910 -18.696 -3.921 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -1.290 -20.406 -3.964 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -0.934 -18.737 -7.443 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -0.016 -18.498 -5.952 1.00 10.00 H new ATOM 1272 N ASN B 358 -3.162 -16.791 -2.950 1.00 10.00 N ATOM 1273 CA ASN B 358 -3.614 -15.424 -3.165 1.00 10.00 C ATOM 1274 C ASN B 358 -2.507 -14.427 -2.848 1.00 10.00 C ATOM 1275 O ASN B 358 -2.769 -13.335 -2.345 1.00 10.00 O ATOM 1276 CB ASN B 358 -4.859 -15.116 -2.324 1.00 10.00 C ATOM 1277 CG ASN B 358 -4.696 -15.449 -0.849 1.00 10.00 C ATOM 1278 OD1 ASN B 358 -3.594 -15.432 -0.299 1.00 10.00 O ATOM 1279 ND2 ASN B 358 -5.803 -15.753 -0.199 1.00 10.00 N ATOM 0 H ASN B 358 -2.581 -16.918 -2.121 1.00 10.00 H new ATOM 0 HA ASN B 358 -3.877 -15.327 -4.218 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -5.102 -14.058 -2.424 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -5.704 -15.677 -2.723 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -5.764 -15.985 0.794 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -6.698 -15.756 -0.689 1.00 10.00 H new ATOM 1286 N ARG B 359 -1.277 -14.810 -3.149 1.00 10.00 N ATOM 1287 CA ARG B 359 -0.121 -13.956 -2.899 1.00 10.00 C ATOM 1288 C ARG B 359 0.538 -13.560 -4.217 1.00 10.00 C ATOM 1289 O ARG B 359 1.328 -14.322 -4.773 1.00 10.00 O ATOM 1290 CB ARG B 359 0.891 -14.681 -2.007 1.00 10.00 C ATOM 1291 CG ARG B 359 0.416 -14.867 -0.578 1.00 10.00 C ATOM 1292 CD ARG B 359 1.297 -15.844 0.181 1.00 10.00 C ATOM 1293 NE ARG B 359 1.073 -15.760 1.620 1.00 10.00 N ATOM 1294 CZ ARG B 359 0.999 -16.809 2.440 1.00 10.00 C ATOM 1295 NH1 ARG B 359 1.185 -18.043 1.982 1.00 10.00 N ATOM 1296 NH2 ARG B 359 0.736 -16.614 3.721 1.00 10.00 N ATOM 0 H ARG B 359 -1.050 -15.711 -3.569 1.00 10.00 H new ATOM 0 HA ARG B 359 -0.460 -13.055 -2.388 1.00 10.00 H new ATOM 0 HB2 ARG B 359 1.109 -15.658 -2.439 1.00 10.00 H new ATOM 0 HB3 ARG B 359 1.825 -14.119 -2.001 1.00 10.00 H new ATOM 0 HG2 ARG B 359 0.414 -13.905 -0.066 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -0.612 -15.229 -0.580 1.00 10.00 H new ATOM 0 HD2 ARG B 359 1.095 -16.859 -0.161 1.00 10.00 H new ATOM 0 HD3 ARG B 359 2.344 -15.637 -0.038 1.00 10.00 H new ATOM 0 HE ARG B 359 0.965 -14.832 2.029 1.00 10.00 H new ATOM 0 HH11 ARG B 359 1.387 -18.195 0.994 1.00 10.00 H new ATOM 0 HH12 ARG B 359 1.126 -18.838 2.619 1.00 10.00 H new ATOM 0 HH21 ARG B 359 0.592 -15.668 4.074 1.00 10.00 H new ATOM 0 HH22 ARG B 359 0.677 -17.410 4.356 1.00 10.00 H new ATOM 1310 N ASP B 360 0.199 -12.386 -4.726 1.00 10.00 N ATOM 1311 CA ASP B 360 0.775 -11.919 -5.980 1.00 10.00 C ATOM 1312 C ASP B 360 1.797 -10.816 -5.734 1.00 10.00 C ATOM 1313 O ASP B 360 1.504 -9.816 -5.079 1.00 10.00 O ATOM 1314 CB ASP B 360 -0.318 -11.456 -6.958 1.00 10.00 C ATOM 1315 CG ASP B 360 -1.192 -10.338 -6.421 1.00 10.00 C ATOM 1316 OD1 ASP B 360 -1.952 -10.579 -5.457 1.00 10.00 O ATOM 1317 OD2 ASP B 360 -1.157 -9.227 -6.992 1.00 10.00 O ATOM 0 H ASP B 360 -0.466 -11.743 -4.296 1.00 10.00 H new ATOM 0 HA ASP B 360 1.294 -12.759 -6.441 1.00 10.00 H new ATOM 0 HB2 ASP B 360 0.153 -11.123 -7.883 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -0.950 -12.308 -7.211 1.00 10.00 H new ATOM 1322 N PRO B 361 3.034 -11.011 -6.230 1.00 10.00 N ATOM 1323 CA PRO B 361 4.120 -10.043 -6.073 1.00 10.00 C ATOM 1324 C PRO B 361 4.025 -8.882 -7.064 1.00 10.00 C ATOM 1325 O PRO B 361 4.204 -9.058 -8.274 1.00 10.00 O ATOM 1326 CB PRO B 361 5.369 -10.883 -6.343 1.00 10.00 C ATOM 1327 CG PRO B 361 4.919 -11.946 -7.284 1.00 10.00 C ATOM 1328 CD PRO B 361 3.470 -12.213 -6.971 1.00 10.00 C ATOM 0 HA PRO B 361 4.107 -9.568 -5.092 1.00 10.00 H new ATOM 0 HB2 PRO B 361 6.164 -10.279 -6.780 1.00 10.00 H new ATOM 0 HB3 PRO B 361 5.764 -11.312 -5.422 1.00 10.00 H new ATOM 0 HG2 PRO B 361 5.039 -11.624 -8.318 1.00 10.00 H new ATOM 0 HG3 PRO B 361 5.515 -12.850 -7.161 1.00 10.00 H new ATOM 0 HD2 PRO B 361 2.885 -12.355 -7.880 1.00 10.00 H new ATOM 0 HD3 PRO B 361 3.351 -13.116 -6.372 1.00 10.00 H new ATOM 1336 N ILE B 362 3.737 -7.699 -6.550 1.00 10.00 N ATOM 1337 CA ILE B 362 3.620 -6.515 -7.388 1.00 10.00 C ATOM 1338 C ILE B 362 4.863 -5.643 -7.284 1.00 10.00 C ATOM 1339 O ILE B 362 5.209 -5.170 -6.205 1.00 10.00 O ATOM 1340 CB ILE B 362 2.383 -5.665 -7.025 1.00 10.00 C ATOM 1341 CG1 ILE B 362 1.138 -6.544 -6.935 1.00 10.00 C ATOM 1342 CG2 ILE B 362 2.177 -4.562 -8.056 1.00 10.00 C ATOM 1343 CD1 ILE B 362 -0.093 -5.801 -6.465 1.00 10.00 C ATOM 0 H ILE B 362 3.580 -7.531 -5.556 1.00 10.00 H new ATOM 0 HA ILE B 362 3.508 -6.875 -8.411 1.00 10.00 H new ATOM 0 HB ILE B 362 2.554 -5.206 -6.051 1.00 10.00 H new ATOM 0 HG12 ILE B 362 0.938 -6.979 -7.914 1.00 10.00 H new ATOM 0 HG13 ILE B 362 1.336 -7.371 -6.253 1.00 10.00 H new ATOM 0 HG21 ILE B 362 1.301 -3.971 -7.787 1.00 10.00 H new ATOM 0 HG22 ILE B 362 3.056 -3.918 -8.080 1.00 10.00 H new ATOM 0 HG23 ILE B 362 2.026 -5.007 -9.040 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -0.939 -6.487 -6.425 1.00 10.00 H new ATOM 0 HD12 ILE B 362 0.088 -5.389 -5.472 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -0.316 -4.991 -7.159 1.00 10.00 H new ATOM 1355 N VAL B 363 5.533 -5.445 -8.410 1.00 10.00 N ATOM 1356 CA VAL B 363 6.734 -4.621 -8.457 1.00 10.00 C ATOM 1357 C VAL B 363 6.533 -3.464 -9.427 1.00 10.00 C ATOM 1358 O VAL B 363 6.407 -3.671 -10.635 1.00 10.00 O ATOM 1359 CB VAL B 363 7.975 -5.431 -8.895 1.00 10.00 C ATOM 1360 CG1 VAL B 363 9.253 -4.675 -8.566 1.00 10.00 C ATOM 1361 CG2 VAL B 363 7.986 -6.811 -8.252 1.00 10.00 C ATOM 0 H VAL B 363 5.264 -5.846 -9.309 1.00 10.00 H new ATOM 0 HA VAL B 363 6.908 -4.246 -7.448 1.00 10.00 H new ATOM 0 HB VAL B 363 7.923 -5.566 -9.975 1.00 10.00 H new ATOM 0 HG11 VAL B 363 10.115 -5.262 -8.882 1.00 10.00 H new ATOM 0 HG12 VAL B 363 9.254 -3.718 -9.088 1.00 10.00 H new ATOM 0 HG13 VAL B 363 9.307 -4.502 -7.491 1.00 10.00 H new ATOM 0 HG21 VAL B 363 8.871 -7.358 -8.579 1.00 10.00 H new ATOM 0 HG22 VAL B 363 8.004 -6.707 -7.167 1.00 10.00 H new ATOM 0 HG23 VAL B 363 7.091 -7.358 -8.549 1.00 10.00 H new ATOM 1371 N ILE B 364 6.486 -2.249 -8.901 1.00 10.00 N ATOM 1372 CA ILE B 364 6.290 -1.073 -9.739 1.00 10.00 C ATOM 1373 C ILE B 364 7.583 -0.279 -9.885 1.00 10.00 C ATOM 1374 O ILE B 364 8.495 -0.393 -9.061 1.00 10.00 O ATOM 1375 CB ILE B 364 5.184 -0.141 -9.190 1.00 10.00 C ATOM 1376 CG1 ILE B 364 5.576 0.431 -7.824 1.00 10.00 C ATOM 1377 CG2 ILE B 364 3.857 -0.881 -9.098 1.00 10.00 C ATOM 1378 CD1 ILE B 364 5.765 1.933 -7.831 1.00 10.00 C ATOM 0 H ILE B 364 6.580 -2.051 -7.905 1.00 10.00 H new ATOM 0 HA ILE B 364 5.977 -1.443 -10.715 1.00 10.00 H new ATOM 0 HB ILE B 364 5.069 0.691 -9.885 1.00 10.00 H new ATOM 0 HG12 ILE B 364 4.807 0.173 -7.096 1.00 10.00 H new ATOM 0 HG13 ILE B 364 6.500 -0.042 -7.492 1.00 10.00 H new ATOM 0 HG21 ILE B 364 3.092 -0.209 -8.710 1.00 10.00 H new ATOM 0 HG22 ILE B 364 3.565 -1.229 -10.089 1.00 10.00 H new ATOM 0 HG23 ILE B 364 3.962 -1.735 -8.429 1.00 10.00 H new ATOM 0 HD11 ILE B 364 6.041 2.270 -6.832 1.00 10.00 H new ATOM 0 HD12 ILE B 364 6.555 2.197 -8.534 1.00 10.00 H new ATOM 0 HD13 ILE B 364 4.835 2.415 -8.132 1.00 10.00 H new ATOM 1390 N SER B 365 7.657 0.520 -10.935 1.00 10.00 N ATOM 1391 CA SER B 365 8.831 1.333 -11.195 1.00 10.00 C ATOM 1392 C SER B 365 8.479 2.811 -11.106 1.00 10.00 C ATOM 1393 O SER B 365 7.346 3.205 -11.379 1.00 10.00 O ATOM 1394 CB SER B 365 9.392 1.013 -12.581 1.00 10.00 C ATOM 1395 OG SER B 365 9.426 -0.386 -12.800 1.00 10.00 O ATOM 0 H SER B 365 6.913 0.623 -11.625 1.00 10.00 H new ATOM 0 HA SER B 365 9.587 1.106 -10.444 1.00 10.00 H new ATOM 0 HB2 SER B 365 8.779 1.490 -13.345 1.00 10.00 H new ATOM 0 HB3 SER B 365 10.397 1.425 -12.675 1.00 10.00 H new ATOM 0 HG SER B 365 9.786 -0.569 -13.693 1.00 10.00 H new ATOM 1401 N ASP B 366 9.445 3.621 -10.707 1.00 10.00 N ATOM 1402 CA ASP B 366 9.231 5.055 -10.602 1.00 10.00 C ATOM 1403 C ASP B 366 10.084 5.776 -11.634 1.00 10.00 C ATOM 1404 O ASP B 366 11.112 5.255 -12.069 1.00 10.00 O ATOM 1405 CB ASP B 366 9.561 5.560 -9.196 1.00 10.00 C ATOM 1406 CG ASP B 366 9.242 7.033 -9.026 1.00 10.00 C ATOM 1407 OD1 ASP B 366 10.038 7.749 -8.389 1.00 10.00 O ATOM 1408 OD2 ASP B 366 8.199 7.479 -9.548 1.00 10.00 O ATOM 0 H ASP B 366 10.383 3.312 -10.451 1.00 10.00 H new ATOM 0 HA ASP B 366 8.178 5.263 -10.794 1.00 10.00 H new ATOM 0 HB2 ASP B 366 8.999 4.981 -8.463 1.00 10.00 H new ATOM 0 HB3 ASP B 366 10.618 5.393 -8.991 1.00 10.00 H new ATOM 1413 N SER B 367 9.656 6.960 -12.031 1.00 10.00 N ATOM 1414 CA SER B 367 10.381 7.736 -13.020 1.00 10.00 C ATOM 1415 C SER B 367 10.467 9.195 -12.593 1.00 10.00 C ATOM 1416 O SER B 367 9.522 9.732 -12.008 1.00 10.00 O ATOM 1417 CB SER B 367 9.705 7.614 -14.388 1.00 10.00 C ATOM 1418 OG SER B 367 8.302 7.428 -14.256 1.00 10.00 O ATOM 0 H SER B 367 8.808 7.406 -11.683 1.00 10.00 H new ATOM 0 HA SER B 367 11.394 7.342 -13.098 1.00 10.00 H new ATOM 0 HB2 SER B 367 9.901 8.512 -14.974 1.00 10.00 H new ATOM 0 HB3 SER B 367 10.135 6.775 -14.935 1.00 10.00 H new ATOM 0 HG SER B 367 7.897 7.355 -15.145 1.00 10.00 H new ATOM 1424 N PRO B 368 11.611 9.844 -12.851 1.00 10.00 N ATOM 1425 CA PRO B 368 11.819 11.249 -12.501 1.00 10.00 C ATOM 1426 C PRO B 368 10.773 12.150 -13.143 1.00 10.00 C ATOM 1427 O PRO B 368 10.629 12.099 -14.383 1.00 10.00 O ATOM 1428 CB PRO B 368 13.213 11.570 -13.059 1.00 10.00 C ATOM 1429 CG PRO B 368 13.536 10.462 -14.001 1.00 10.00 C ATOM 1430 CD PRO B 368 12.795 9.259 -13.497 1.00 10.00 C ATOM 1431 OXT PRO B 368 10.095 12.897 -12.408 1.00 10.00 O ATOM 0 HA PRO B 368 11.737 11.416 -11.427 1.00 10.00 H new ATOM 0 HB2 PRO B 368 13.218 12.532 -13.571 1.00 10.00 H new ATOM 0 HB3 PRO B 368 13.950 11.631 -12.259 1.00 10.00 H new ATOM 0 HG2 PRO B 368 13.229 10.712 -15.017 1.00 10.00 H new ATOM 0 HG3 PRO B 368 14.609 10.275 -14.029 1.00 10.00 H new ATOM 0 HD2 PRO B 368 12.520 8.586 -14.309 1.00 10.00 H new ATOM 0 HD3 PRO B 368 13.395 8.682 -12.793 1.00 10.00 H new TER 1439 PRO B 368