USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 696 hydrogens (8 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 NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Set 1.1: A 54 SER OG : rot 180:sc= -0.175 USER MOD Set 1.2: A 57 GLN : amide:sc= 0 X(o=-0.17,f=-0.23) USER MOD Set 2.1: A 28 SER OG : rot -66:sc= 0.104 USER MOD Set 2.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.016) USER MOD Single : A 19 ASN : amide:sc= -1.4! X(o=-1.4!,f=-1.5) USER MOD Single : A 21 LYS NZ :NH3+ -160:sc= 0.702 (180deg=0.0147) USER MOD Single : A 25 GLN : amide:sc= 1.82 K(o=1.8,f=-0.76) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -163:sc= 1.08 (180deg=0.848) USER MOD Single : A 37 HIS : no HD1:sc= 0.955 K(o=0.96,f=-5.2!) USER MOD Single : A 38 THR OG1 : rot -78:sc= 0.0876 USER MOD Single : A 41 SER OG : rot -122:sc= 1.41 USER MOD Single : A 42 LYS NZ :NH3+ 159:sc= 3.2 (180deg=2.46) USER MOD Single : A 44 MET CE :methyl 176:sc= -0.223 (180deg=-0.297) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 7:sc= 0.657 USER MOD Single : A 51 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.21) USER MOD Single : A 55 MET CE :methyl -129:sc= 0 (180deg=-0.00896) USER MOD Single : A 65 GLN : amide:sc= -0.0421 X(o=-0.042,f=-0.044) USER MOD Single : A 68 ASN : amide:sc= 1.22 K(o=1.2,f=-0.088) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00753 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0894 USER MOD Single : A 75 GLN : amide:sc= 0.229 X(o=0.23,f=-0.1) USER MOD Single : A 78 MET CE :methyl 140:sc= -1.35 (180deg=-1.96) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 89 GLN : amide:sc= 0.429 K(o=0.43,f=-5.6!) USER MOD Single : A 90 GLN : amide:sc= -0.204 K(o=-0.2,f=-3.7!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0545 USER MOD Single : B 357 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : B 358 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -5.277 23.270 6.668 1.00 10.00 N ATOM 2 CA ASP A 16 -6.440 22.361 6.551 1.00 10.00 C ATOM 3 C ASP A 16 -5.979 20.973 6.142 1.00 10.00 C ATOM 4 O ASP A 16 -4.848 20.797 5.684 1.00 10.00 O ATOM 5 CB ASP A 16 -7.441 22.898 5.526 1.00 10.00 C ATOM 6 CG ASP A 16 -8.233 24.073 6.058 1.00 10.00 C ATOM 7 OD1 ASP A 16 -9.041 23.878 6.985 1.00 10.00 O ATOM 8 OD2 ASP A 16 -8.045 25.198 5.550 1.00 10.00 O ATOM 0 HA ASP A 16 -6.931 22.304 7.522 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -6.908 23.200 4.625 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -8.127 22.101 5.239 1.00 10.00 H new ATOM 13 N HIS A 17 -6.856 19.993 6.300 1.00 10.00 N ATOM 14 CA HIS A 17 -6.537 18.616 5.950 1.00 10.00 C ATOM 15 C HIS A 17 -7.478 18.110 4.867 1.00 10.00 C ATOM 16 O HIS A 17 -8.648 18.497 4.820 1.00 10.00 O ATOM 17 CB HIS A 17 -6.634 17.711 7.179 1.00 10.00 C ATOM 18 CG HIS A 17 -5.360 17.603 7.960 1.00 10.00 C ATOM 19 ND1 HIS A 17 -5.210 18.220 9.178 1.00 10.00 N ATOM 20 CD2 HIS A 17 -4.226 16.923 7.666 1.00 10.00 C ATOM 21 CE1 HIS A 17 -3.996 17.903 9.597 1.00 10.00 C ATOM 22 NE2 HIS A 17 -3.362 17.120 8.715 1.00 10.00 N ATOM 0 H HIS A 17 -7.797 20.126 6.670 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.515 18.592 5.573 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.419 18.089 7.834 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -6.938 16.714 6.860 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -4.038 16.338 6.778 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -3.570 18.234 10.533 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -2.419 16.742 8.805 1.00 10.00 H new ATOM 30 N ILE A 18 -6.970 17.244 4.011 1.00 10.00 N ATOM 31 CA ILE A 18 -7.759 16.681 2.930 1.00 10.00 C ATOM 32 C ILE A 18 -8.028 15.205 3.214 1.00 10.00 C ATOM 33 O ILE A 18 -7.191 14.515 3.808 1.00 10.00 O ATOM 34 CB ILE A 18 -7.034 16.856 1.569 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.976 16.562 0.401 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.794 15.972 1.486 1.00 10.00 C ATOM 37 CD1 ILE A 18 -7.363 16.858 -0.950 1.00 10.00 C ATOM 0 H ILE A 18 -6.006 16.912 4.044 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.709 17.212 2.869 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.716 17.896 1.500 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -8.272 15.513 0.436 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.884 17.153 0.518 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -5.308 16.117 0.521 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -5.102 16.240 2.285 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -6.084 14.927 1.593 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -8.084 16.628 -1.735 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -7.093 17.913 -1.004 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.471 16.247 -1.086 1.00 10.00 H new ATOM 49 N ASN A 19 -9.196 14.723 2.826 1.00 10.00 N ATOM 50 CA ASN A 19 -9.541 13.331 3.065 1.00 10.00 C ATOM 51 C ASN A 19 -9.574 12.553 1.760 1.00 10.00 C ATOM 52 O ASN A 19 -10.428 12.788 0.905 1.00 10.00 O ATOM 53 CB ASN A 19 -10.887 13.228 3.782 1.00 10.00 C ATOM 54 CG ASN A 19 -10.875 12.181 4.882 1.00 10.00 C ATOM 55 OD1 ASN A 19 -11.863 11.481 5.097 1.00 10.00 O ATOM 56 ND2 ASN A 19 -9.764 12.077 5.601 1.00 10.00 N ATOM 0 H ASN A 19 -9.915 15.267 2.349 1.00 10.00 H new ATOM 0 HA ASN A 19 -8.774 12.895 3.704 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.144 14.197 4.209 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -11.664 12.982 3.058 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -9.710 11.399 6.361 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -8.964 12.675 5.393 1.00 10.00 H new ATOM 63 N LEU A 20 -8.636 11.634 1.607 1.00 10.00 N ATOM 64 CA LEU A 20 -8.556 10.822 0.404 1.00 10.00 C ATOM 65 C LEU A 20 -9.162 9.450 0.652 1.00 10.00 C ATOM 66 O LEU A 20 -8.986 8.866 1.722 1.00 10.00 O ATOM 67 CB LEU A 20 -7.104 10.697 -0.062 1.00 10.00 C ATOM 68 CG LEU A 20 -6.442 12.021 -0.458 1.00 10.00 C ATOM 69 CD1 LEU A 20 -4.969 11.812 -0.765 1.00 10.00 C ATOM 70 CD2 LEU A 20 -7.154 12.643 -1.654 1.00 10.00 C ATOM 0 H LEU A 20 -7.918 11.431 2.302 1.00 10.00 H new ATOM 0 HA LEU A 20 -9.126 11.312 -0.386 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -6.519 10.238 0.735 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -7.068 10.019 -0.915 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.524 12.708 0.384 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.517 12.764 -1.044 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -4.466 11.416 0.117 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.866 11.106 -1.589 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -6.668 13.582 -1.919 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -7.107 11.959 -2.501 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -8.196 12.833 -1.398 1.00 10.00 H new ATOM 82 N LYS A 21 -9.872 8.943 -0.343 1.00 10.00 N ATOM 83 CA LYS A 21 -10.525 7.649 -0.236 1.00 10.00 C ATOM 84 C LYS A 21 -9.699 6.556 -0.893 1.00 10.00 C ATOM 85 O LYS A 21 -9.750 6.368 -2.107 1.00 10.00 O ATOM 86 CB LYS A 21 -11.909 7.694 -0.886 1.00 10.00 C ATOM 87 CG LYS A 21 -12.856 8.699 -0.260 1.00 10.00 C ATOM 88 CD LYS A 21 -14.029 8.990 -1.181 1.00 10.00 C ATOM 89 CE LYS A 21 -15.048 9.896 -0.513 1.00 10.00 C ATOM 90 NZ LYS A 21 -16.076 10.381 -1.474 1.00 10.00 N ATOM 0 H LYS A 21 -10.011 9.411 -1.238 1.00 10.00 H new ATOM 0 HA LYS A 21 -10.626 7.421 0.825 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -11.794 7.930 -1.944 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -12.358 6.703 -0.827 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -13.223 8.314 0.691 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -12.320 9.623 -0.045 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -13.667 9.459 -2.096 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -14.507 8.054 -1.471 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -15.536 9.356 0.299 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -14.537 10.749 -0.067 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -16.535 11.232 -1.091 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -15.622 10.610 -2.381 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -16.790 9.640 -1.622 1.00 10.00 H new ATOM 104 N VAL A 22 -8.924 5.850 -0.096 1.00 10.00 N ATOM 105 CA VAL A 22 -8.119 4.758 -0.609 1.00 10.00 C ATOM 106 C VAL A 22 -8.840 3.452 -0.312 1.00 10.00 C ATOM 107 O VAL A 22 -9.175 3.172 0.841 1.00 10.00 O ATOM 108 CB VAL A 22 -6.705 4.743 0.008 1.00 10.00 C ATOM 109 CG1 VAL A 22 -5.845 3.659 -0.625 1.00 10.00 C ATOM 110 CG2 VAL A 22 -6.049 6.105 -0.142 1.00 10.00 C ATOM 0 H VAL A 22 -8.834 6.011 0.907 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.992 4.889 -1.684 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.799 4.518 1.070 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -4.854 3.670 -0.172 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -6.308 2.686 -0.461 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -5.757 3.843 -1.696 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -5.052 6.079 0.298 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.973 6.358 -1.200 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -6.651 6.857 0.368 1.00 10.00 H new ATOM 120 N ALA A 23 -9.105 2.668 -1.344 1.00 10.00 N ATOM 121 CA ALA A 23 -9.820 1.414 -1.169 1.00 10.00 C ATOM 122 C ALA A 23 -9.003 0.224 -1.648 1.00 10.00 C ATOM 123 O ALA A 23 -8.378 0.269 -2.709 1.00 10.00 O ATOM 124 CB ALA A 23 -11.152 1.465 -1.901 1.00 10.00 C ATOM 0 H ALA A 23 -8.838 2.876 -2.306 1.00 10.00 H new ATOM 0 HA ALA A 23 -9.998 1.282 -0.102 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -11.679 0.521 -1.763 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.756 2.280 -1.501 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -10.977 1.631 -2.964 1.00 10.00 H new ATOM 130 N GLY A 24 -9.010 -0.835 -0.854 1.00 10.00 N ATOM 131 CA GLY A 24 -8.295 -2.041 -1.212 1.00 10.00 C ATOM 132 C GLY A 24 -9.180 -2.987 -1.997 1.00 10.00 C ATOM 133 O GLY A 24 -10.399 -2.813 -2.031 1.00 10.00 O ATOM 0 H GLY A 24 -9.502 -0.880 0.038 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -7.416 -1.784 -1.804 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -7.938 -2.537 -0.310 1.00 10.00 H new ATOM 137 N GLN A 25 -8.582 -3.999 -2.612 1.00 10.00 N ATOM 138 CA GLN A 25 -9.341 -4.961 -3.411 1.00 10.00 C ATOM 139 C GLN A 25 -10.221 -5.844 -2.530 1.00 10.00 C ATOM 140 O GLN A 25 -11.101 -6.551 -3.021 1.00 10.00 O ATOM 141 CB GLN A 25 -8.395 -5.821 -4.251 1.00 10.00 C ATOM 142 CG GLN A 25 -7.500 -5.009 -5.176 1.00 10.00 C ATOM 143 CD GLN A 25 -8.275 -4.022 -6.035 1.00 10.00 C ATOM 144 OE1 GLN A 25 -9.401 -4.292 -6.453 1.00 10.00 O ATOM 145 NE2 GLN A 25 -7.679 -2.867 -6.286 1.00 10.00 N ATOM 0 H GLN A 25 -7.578 -4.177 -2.575 1.00 10.00 H new ATOM 0 HA GLN A 25 -9.994 -4.399 -4.079 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -7.771 -6.418 -3.586 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -8.983 -6.519 -4.847 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -6.767 -4.466 -4.579 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -6.944 -5.688 -5.823 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -6.745 -2.685 -5.920 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -8.154 -2.159 -6.846 1.00 10.00 H new ATOM 154 N ASP A 26 -9.979 -5.794 -1.231 1.00 10.00 N ATOM 155 CA ASP A 26 -10.750 -6.573 -0.270 1.00 10.00 C ATOM 156 C ASP A 26 -12.004 -5.813 0.145 1.00 10.00 C ATOM 157 O ASP A 26 -12.949 -6.395 0.680 1.00 10.00 O ATOM 158 CB ASP A 26 -9.901 -6.885 0.964 1.00 10.00 C ATOM 159 CG ASP A 26 -9.451 -5.632 1.691 1.00 10.00 C ATOM 160 OD1 ASP A 26 -8.820 -4.762 1.050 1.00 10.00 O ATOM 161 OD2 ASP A 26 -9.719 -5.509 2.901 1.00 10.00 O ATOM 0 H ASP A 26 -9.249 -5.218 -0.813 1.00 10.00 H new ATOM 0 HA ASP A 26 -11.045 -7.509 -0.744 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -10.475 -7.511 1.647 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -9.026 -7.461 0.663 1.00 10.00 H new ATOM 166 N GLY A 27 -12.005 -4.513 -0.112 1.00 10.00 N ATOM 167 CA GLY A 27 -13.141 -3.686 0.236 1.00 10.00 C ATOM 168 C GLY A 27 -12.880 -2.832 1.460 1.00 10.00 C ATOM 169 O GLY A 27 -13.815 -2.367 2.109 1.00 10.00 O ATOM 0 H GLY A 27 -11.235 -4.015 -0.558 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -13.390 -3.041 -0.607 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -14.008 -4.322 0.418 1.00 10.00 H new ATOM 173 N SER A 28 -11.611 -2.629 1.783 1.00 10.00 N ATOM 174 CA SER A 28 -11.247 -1.820 2.934 1.00 10.00 C ATOM 175 C SER A 28 -11.153 -0.349 2.553 1.00 10.00 C ATOM 176 O SER A 28 -10.470 0.008 1.589 1.00 10.00 O ATOM 177 CB SER A 28 -9.905 -2.279 3.513 1.00 10.00 C ATOM 178 OG SER A 28 -8.967 -2.549 2.482 1.00 10.00 O ATOM 0 H SER A 28 -10.820 -3.012 1.266 1.00 10.00 H new ATOM 0 HA SER A 28 -12.026 -1.944 3.687 1.00 10.00 H new ATOM 0 HB2 SER A 28 -9.509 -1.509 4.176 1.00 10.00 H new ATOM 0 HB3 SER A 28 -10.053 -3.174 4.117 1.00 10.00 H new ATOM 0 HG SER A 28 -9.269 -3.320 1.958 1.00 10.00 H new ATOM 184 N VAL A 29 -11.858 0.492 3.286 1.00 10.00 N ATOM 185 CA VAL A 29 -11.817 1.920 3.045 1.00 10.00 C ATOM 186 C VAL A 29 -11.047 2.590 4.177 1.00 10.00 C ATOM 187 O VAL A 29 -11.387 2.432 5.352 1.00 10.00 O ATOM 188 CB VAL A 29 -13.239 2.527 2.896 1.00 10.00 C ATOM 189 CG1 VAL A 29 -14.144 2.125 4.053 1.00 10.00 C ATOM 190 CG2 VAL A 29 -13.173 4.044 2.760 1.00 10.00 C ATOM 0 H VAL A 29 -12.467 0.209 4.054 1.00 10.00 H new ATOM 0 HA VAL A 29 -11.307 2.101 2.099 1.00 10.00 H new ATOM 0 HB VAL A 29 -13.674 2.121 1.982 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -15.130 2.568 3.915 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -14.235 1.039 4.083 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -13.715 2.480 4.990 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -14.182 4.444 2.657 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -12.703 4.469 3.647 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -12.587 4.305 1.879 1.00 10.00 H new ATOM 200 N VAL A 30 -9.979 3.291 3.832 1.00 10.00 N ATOM 201 CA VAL A 30 -9.164 3.954 4.838 1.00 10.00 C ATOM 202 C VAL A 30 -9.416 5.454 4.876 1.00 10.00 C ATOM 203 O VAL A 30 -9.473 6.117 3.838 1.00 10.00 O ATOM 204 CB VAL A 30 -7.655 3.706 4.625 1.00 10.00 C ATOM 205 CG1 VAL A 30 -7.290 2.274 4.966 1.00 10.00 C ATOM 206 CG2 VAL A 30 -7.243 4.032 3.203 1.00 10.00 C ATOM 0 H VAL A 30 -9.658 3.415 2.872 1.00 10.00 H new ATOM 0 HA VAL A 30 -9.462 3.516 5.791 1.00 10.00 H new ATOM 0 HB VAL A 30 -7.112 4.370 5.297 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -6.222 2.123 4.808 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -7.534 2.075 6.009 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -7.851 1.593 4.326 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.175 3.848 3.082 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -7.801 3.403 2.509 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.456 5.080 2.994 1.00 10.00 H new ATOM 216 N GLN A 31 -9.578 5.976 6.082 1.00 10.00 N ATOM 217 CA GLN A 31 -9.793 7.400 6.280 1.00 10.00 C ATOM 218 C GLN A 31 -8.442 8.094 6.347 1.00 10.00 C ATOM 219 O GLN A 31 -7.918 8.357 7.430 1.00 10.00 O ATOM 220 CB GLN A 31 -10.586 7.654 7.564 1.00 10.00 C ATOM 221 CG GLN A 31 -11.870 8.440 7.344 1.00 10.00 C ATOM 222 CD GLN A 31 -12.695 8.582 8.609 1.00 10.00 C ATOM 223 OE1 GLN A 31 -12.662 7.720 9.490 1.00 10.00 O ATOM 224 NE2 GLN A 31 -13.433 9.674 8.713 1.00 10.00 N ATOM 0 H GLN A 31 -9.564 5.430 6.943 1.00 10.00 H new ATOM 0 HA GLN A 31 -10.371 7.799 5.447 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -10.831 6.697 8.025 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -9.955 8.195 8.269 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -11.623 9.431 6.963 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -12.468 7.944 6.579 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -13.432 10.363 7.961 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -14.003 9.827 9.545 1.00 10.00 H new ATOM 233 N PHE A 32 -7.870 8.357 5.183 1.00 10.00 N ATOM 234 CA PHE A 32 -6.561 8.985 5.096 1.00 10.00 C ATOM 235 C PHE A 32 -6.611 10.476 5.390 1.00 10.00 C ATOM 236 O PHE A 32 -7.087 11.268 4.573 1.00 10.00 O ATOM 237 CB PHE A 32 -5.955 8.761 3.714 1.00 10.00 C ATOM 238 CG PHE A 32 -4.788 7.821 3.720 1.00 10.00 C ATOM 239 CD1 PHE A 32 -4.884 6.578 3.120 1.00 10.00 C ATOM 240 CD2 PHE A 32 -3.598 8.176 4.331 1.00 10.00 C ATOM 241 CE1 PHE A 32 -3.815 5.707 3.124 1.00 10.00 C ATOM 242 CE2 PHE A 32 -2.524 7.308 4.339 1.00 10.00 C ATOM 243 CZ PHE A 32 -2.632 6.072 3.736 1.00 10.00 C ATOM 0 H PHE A 32 -8.294 8.144 4.280 1.00 10.00 H new ATOM 0 HA PHE A 32 -5.937 8.516 5.857 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -6.724 8.370 3.048 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -5.637 9.720 3.305 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -5.808 6.286 2.643 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -3.508 9.142 4.806 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -3.903 4.741 2.649 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -1.600 7.597 4.817 1.00 10.00 H new ATOM 0 HZ PHE A 32 -1.793 5.391 3.742 1.00 10.00 H new ATOM 253 N LYS A 33 -6.125 10.853 6.561 1.00 10.00 N ATOM 254 CA LYS A 33 -6.068 12.253 6.943 1.00 10.00 C ATOM 255 C LYS A 33 -4.691 12.797 6.593 1.00 10.00 C ATOM 256 O LYS A 33 -3.737 12.638 7.354 1.00 10.00 O ATOM 257 CB LYS A 33 -6.356 12.430 8.437 1.00 10.00 C ATOM 258 CG LYS A 33 -6.414 13.887 8.866 1.00 10.00 C ATOM 259 CD LYS A 33 -6.869 14.036 10.307 1.00 10.00 C ATOM 260 CE LYS A 33 -7.023 15.499 10.682 1.00 10.00 C ATOM 261 NZ LYS A 33 -7.720 15.671 11.983 1.00 10.00 N ATOM 0 H LYS A 33 -5.764 10.208 7.264 1.00 10.00 H new ATOM 0 HA LYS A 33 -6.833 12.807 6.399 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -7.304 11.949 8.677 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -5.584 11.919 9.012 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -5.429 14.340 8.748 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -7.096 14.431 8.212 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -7.818 13.519 10.447 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -6.147 13.561 10.971 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -6.039 15.965 10.734 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -7.580 16.016 9.901 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -7.804 16.685 12.201 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -8.669 15.249 11.927 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -7.176 15.200 12.733 1.00 10.00 H new ATOM 275 N ILE A 34 -4.598 13.422 5.432 1.00 10.00 N ATOM 276 CA ILE A 34 -3.337 13.955 4.943 1.00 10.00 C ATOM 277 C ILE A 34 -3.530 15.401 4.461 1.00 10.00 C ATOM 278 O ILE A 34 -4.657 15.883 4.393 1.00 10.00 O ATOM 279 CB ILE A 34 -2.810 13.056 3.785 1.00 10.00 C ATOM 280 CG1 ILE A 34 -1.496 13.583 3.190 1.00 10.00 C ATOM 281 CG2 ILE A 34 -3.868 12.923 2.698 1.00 10.00 C ATOM 282 CD1 ILE A 34 -0.803 12.599 2.272 1.00 10.00 C ATOM 0 H ILE A 34 -5.388 13.574 4.805 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.604 13.958 5.750 1.00 10.00 H new ATOM 0 HB ILE A 34 -2.601 12.073 4.207 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -1.700 14.500 2.637 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -0.819 13.846 4.003 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -3.487 12.292 1.895 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -4.767 12.472 3.118 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -4.109 13.910 2.302 1.00 10.00 H new ATOM 0 HD11 ILE A 34 0.117 13.043 1.891 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -0.566 11.690 2.825 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -1.460 12.355 1.438 1.00 10.00 H new ATOM 294 N LYS A 35 -2.442 16.108 4.176 1.00 10.00 N ATOM 295 CA LYS A 35 -2.534 17.469 3.671 1.00 10.00 C ATOM 296 C LYS A 35 -2.369 17.460 2.157 1.00 10.00 C ATOM 297 O LYS A 35 -2.263 16.398 1.548 1.00 10.00 O ATOM 298 CB LYS A 35 -1.482 18.373 4.314 1.00 10.00 C ATOM 299 CG LYS A 35 -1.795 18.734 5.755 1.00 10.00 C ATOM 300 CD LYS A 35 -0.842 19.792 6.275 1.00 10.00 C ATOM 301 CE LYS A 35 -0.951 19.951 7.782 1.00 10.00 C ATOM 302 NZ LYS A 35 0.248 20.622 8.350 1.00 10.00 N ATOM 0 H LYS A 35 -1.489 15.761 4.286 1.00 10.00 H new ATOM 0 HA LYS A 35 -3.515 17.869 3.929 1.00 10.00 H new ATOM 0 HB2 LYS A 35 -0.513 17.875 4.274 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -1.394 19.288 3.729 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -2.820 19.097 5.827 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -1.728 17.843 6.379 1.00 10.00 H new ATOM 0 HD2 LYS A 35 0.181 19.523 6.010 1.00 10.00 H new ATOM 0 HD3 LYS A 35 -1.057 20.745 5.792 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -1.842 20.531 8.024 1.00 10.00 H new ATOM 0 HE3 LYS A 35 -1.073 18.971 8.244 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 0.282 20.461 9.377 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 1.106 20.231 7.910 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 0.196 21.643 8.161 1.00 10.00 H new ATOM 316 N ARG A 36 -2.326 18.636 1.550 1.00 10.00 N ATOM 317 CA ARG A 36 -2.196 18.729 0.101 1.00 10.00 C ATOM 318 C ARG A 36 -0.736 18.837 -0.337 1.00 10.00 C ATOM 319 O ARG A 36 -0.423 18.629 -1.508 1.00 10.00 O ATOM 320 CB ARG A 36 -3.001 19.920 -0.426 1.00 10.00 C ATOM 321 CG ARG A 36 -4.482 19.846 -0.086 1.00 10.00 C ATOM 322 CD ARG A 36 -5.264 20.986 -0.715 1.00 10.00 C ATOM 323 NE ARG A 36 -5.387 20.837 -2.164 1.00 10.00 N ATOM 324 CZ ARG A 36 -6.542 20.642 -2.802 1.00 10.00 C ATOM 325 NH1 ARG A 36 -7.683 20.558 -2.129 1.00 10.00 N ATOM 326 NH2 ARG A 36 -6.561 20.533 -4.123 1.00 10.00 N ATOM 0 H ARG A 36 -2.379 19.533 2.032 1.00 10.00 H new ATOM 0 HA ARG A 36 -2.595 17.809 -0.325 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -2.587 20.840 -0.014 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -2.887 19.976 -1.509 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -4.887 18.894 -0.431 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -4.608 19.873 0.996 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -6.258 21.031 -0.270 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -4.770 21.931 -0.489 1.00 10.00 H new ATOM 0 HE ARG A 36 -4.535 20.885 -2.723 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -7.683 20.643 -1.113 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -8.560 20.409 -2.628 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -5.692 20.598 -4.653 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -7.445 20.384 -4.610 1.00 10.00 H new ATOM 340 N HIS A 37 0.159 19.148 0.592 1.00 10.00 N ATOM 341 CA HIS A 37 1.574 19.277 0.250 1.00 10.00 C ATOM 342 C HIS A 37 2.382 18.063 0.710 1.00 10.00 C ATOM 343 O HIS A 37 3.531 17.894 0.310 1.00 10.00 O ATOM 344 CB HIS A 37 2.160 20.580 0.827 1.00 10.00 C ATOM 345 CG HIS A 37 2.530 20.522 2.284 1.00 10.00 C ATOM 346 ND1 HIS A 37 3.787 20.869 2.715 1.00 10.00 N ATOM 347 CD2 HIS A 37 1.779 20.176 3.355 1.00 10.00 C ATOM 348 CE1 HIS A 37 3.774 20.720 4.029 1.00 10.00 C ATOM 349 NE2 HIS A 37 2.580 20.300 4.461 1.00 10.00 N ATOM 0 H HIS A 37 -0.062 19.314 1.574 1.00 10.00 H new ATOM 0 HA HIS A 37 1.645 19.321 -0.837 1.00 10.00 H new ATOM 0 HB2 HIS A 37 3.047 20.847 0.253 1.00 10.00 H new ATOM 0 HB3 HIS A 37 1.435 21.381 0.684 1.00 10.00 H new ATOM 0 HD2 HIS A 37 0.746 19.862 3.341 1.00 10.00 H new ATOM 0 HE1 HIS A 37 4.620 20.913 4.672 1.00 10.00 H new ATOM 0 HE2 HIS A 37 2.316 20.109 5.427 1.00 10.00 H new ATOM 357 N THR A 38 1.782 17.222 1.542 1.00 10.00 N ATOM 358 CA THR A 38 2.459 16.036 2.045 1.00 10.00 C ATOM 359 C THR A 38 2.668 15.017 0.919 1.00 10.00 C ATOM 360 O THR A 38 1.724 14.680 0.200 1.00 10.00 O ATOM 361 CB THR A 38 1.652 15.399 3.192 1.00 10.00 C ATOM 362 OG1 THR A 38 1.145 16.430 4.056 1.00 10.00 O ATOM 363 CG2 THR A 38 2.506 14.429 4.000 1.00 10.00 C ATOM 0 H THR A 38 0.828 17.340 1.882 1.00 10.00 H new ATOM 0 HA THR A 38 3.434 16.337 2.429 1.00 10.00 H new ATOM 0 HB THR A 38 0.825 14.840 2.755 1.00 10.00 H new ATOM 0 HG1 THR A 38 1.861 16.743 4.647 1.00 10.00 H new ATOM 0 HG21 THR A 38 1.907 13.997 4.801 1.00 10.00 H new ATOM 0 HG22 THR A 38 2.868 13.634 3.349 1.00 10.00 H new ATOM 0 HG23 THR A 38 3.355 14.962 4.429 1.00 10.00 H new ATOM 371 N PRO A 39 3.912 14.529 0.741 1.00 10.00 N ATOM 372 CA PRO A 39 4.253 13.556 -0.308 1.00 10.00 C ATOM 373 C PRO A 39 3.367 12.312 -0.292 1.00 10.00 C ATOM 374 O PRO A 39 3.114 11.728 0.765 1.00 10.00 O ATOM 375 CB PRO A 39 5.699 13.173 0.019 1.00 10.00 C ATOM 376 CG PRO A 39 6.240 14.335 0.772 1.00 10.00 C ATOM 377 CD PRO A 39 5.090 14.892 1.555 1.00 10.00 C ATOM 0 HA PRO A 39 4.113 13.983 -1.301 1.00 10.00 H new ATOM 0 HB2 PRO A 39 5.741 12.261 0.615 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.274 12.988 -0.888 1.00 10.00 H new ATOM 0 HG2 PRO A 39 7.050 14.028 1.434 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.649 15.084 0.093 1.00 10.00 H new ATOM 0 HD2 PRO A 39 5.037 14.459 2.554 1.00 10.00 H new ATOM 0 HD3 PRO A 39 5.175 15.972 1.680 1.00 10.00 H new ATOM 385 N LEU A 40 2.922 11.894 -1.476 1.00 10.00 N ATOM 386 CA LEU A 40 2.070 10.715 -1.600 1.00 10.00 C ATOM 387 C LEU A 40 2.861 9.451 -1.286 1.00 10.00 C ATOM 388 O LEU A 40 2.288 8.392 -1.030 1.00 10.00 O ATOM 389 CB LEU A 40 1.476 10.623 -3.005 1.00 10.00 C ATOM 390 CG LEU A 40 0.264 11.522 -3.258 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.142 11.468 -4.718 1.00 10.00 C ATOM 392 CD2 LEU A 40 -0.903 11.115 -2.372 1.00 10.00 C ATOM 0 H LEU A 40 3.137 12.354 -2.361 1.00 10.00 H new ATOM 0 HA LEU A 40 1.255 10.809 -0.883 1.00 10.00 H new ATOM 0 HB2 LEU A 40 2.252 10.874 -3.728 1.00 10.00 H new ATOM 0 HB3 LEU A 40 1.187 9.589 -3.194 1.00 10.00 H new ATOM 0 HG LEU A 40 0.543 12.546 -3.011 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -1.005 12.113 -4.880 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.687 11.808 -5.339 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.399 10.443 -4.986 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.754 11.767 -2.568 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.180 10.083 -2.587 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.613 11.203 -1.325 1.00 10.00 H new ATOM 404 N SER A 41 4.183 9.575 -1.311 1.00 10.00 N ATOM 405 CA SER A 41 5.067 8.466 -1.010 1.00 10.00 C ATOM 406 C SER A 41 4.839 7.986 0.421 1.00 10.00 C ATOM 407 O SER A 41 4.847 6.784 0.696 1.00 10.00 O ATOM 408 CB SER A 41 6.514 8.911 -1.203 1.00 10.00 C ATOM 409 OG SER A 41 6.558 10.270 -1.612 1.00 10.00 O ATOM 0 H SER A 41 4.666 10.444 -1.540 1.00 10.00 H new ATOM 0 HA SER A 41 4.856 7.636 -1.685 1.00 10.00 H new ATOM 0 HB2 SER A 41 7.068 8.785 -0.273 1.00 10.00 H new ATOM 0 HB3 SER A 41 6.999 8.283 -1.950 1.00 10.00 H new ATOM 0 HG SER A 41 7.023 10.338 -2.472 1.00 10.00 H new ATOM 415 N LYS A 42 4.607 8.940 1.322 1.00 10.00 N ATOM 416 CA LYS A 42 4.355 8.629 2.721 1.00 10.00 C ATOM 417 C LYS A 42 3.001 7.950 2.852 1.00 10.00 C ATOM 418 O LYS A 42 2.807 7.079 3.697 1.00 10.00 O ATOM 419 CB LYS A 42 4.393 9.904 3.567 1.00 10.00 C ATOM 420 CG LYS A 42 4.852 9.669 4.996 1.00 10.00 C ATOM 421 CD LYS A 42 4.943 10.969 5.782 1.00 10.00 C ATOM 422 CE LYS A 42 5.709 10.768 7.080 1.00 10.00 C ATOM 423 NZ LYS A 42 5.778 12.005 7.904 1.00 10.00 N ATOM 0 H LYS A 42 4.589 9.936 1.103 1.00 10.00 H new ATOM 0 HA LYS A 42 5.132 7.956 3.083 1.00 10.00 H new ATOM 0 HB2 LYS A 42 5.059 10.625 3.094 1.00 10.00 H new ATOM 0 HB3 LYS A 42 3.399 10.351 3.582 1.00 10.00 H new ATOM 0 HG2 LYS A 42 4.158 8.991 5.494 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.826 9.180 4.989 1.00 10.00 H new ATOM 0 HD2 LYS A 42 5.437 11.730 5.178 1.00 10.00 H new ATOM 0 HD3 LYS A 42 3.941 11.337 6.000 1.00 10.00 H new ATOM 0 HE2 LYS A 42 5.233 9.977 7.659 1.00 10.00 H new ATOM 0 HE3 LYS A 42 6.720 10.432 6.852 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 5.978 11.753 8.893 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 6.535 12.620 7.544 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 4.869 12.508 7.852 1.00 10.00 H new ATOM 437 N LEU A 43 2.074 8.355 1.991 1.00 10.00 N ATOM 438 CA LEU A 43 0.732 7.791 1.980 1.00 10.00 C ATOM 439 C LEU A 43 0.785 6.330 1.546 1.00 10.00 C ATOM 440 O LEU A 43 0.117 5.473 2.128 1.00 10.00 O ATOM 441 CB LEU A 43 -0.174 8.595 1.037 1.00 10.00 C ATOM 442 CG LEU A 43 -1.662 8.242 1.096 1.00 10.00 C ATOM 443 CD1 LEU A 43 -2.508 9.496 0.955 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.020 7.235 0.009 1.00 10.00 C ATOM 0 H LEU A 43 2.231 9.077 1.288 1.00 10.00 H new ATOM 0 HA LEU A 43 0.318 7.844 2.987 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.060 9.654 1.267 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.176 8.451 0.015 1.00 10.00 H new ATOM 0 HG LEU A 43 -1.869 7.788 2.065 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -3.564 9.229 0.999 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -2.274 10.186 1.766 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -2.294 9.974 -0.001 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -3.082 6.998 0.069 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.798 7.661 -0.969 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -1.436 6.325 0.149 1.00 10.00 H new ATOM 456 N MET A 44 1.591 6.052 0.526 1.00 10.00 N ATOM 457 CA MET A 44 1.738 4.695 0.015 1.00 10.00 C ATOM 458 C MET A 44 2.325 3.783 1.086 1.00 10.00 C ATOM 459 O MET A 44 1.833 2.677 1.310 1.00 10.00 O ATOM 460 CB MET A 44 2.632 4.673 -1.228 1.00 10.00 C ATOM 461 CG MET A 44 2.023 5.368 -2.437 1.00 10.00 C ATOM 462 SD MET A 44 2.834 4.915 -3.984 1.00 10.00 S ATOM 463 CE MET A 44 4.488 5.553 -3.716 1.00 10.00 C ATOM 0 H MET A 44 2.152 6.749 0.037 1.00 10.00 H new ATOM 0 HA MET A 44 0.748 4.332 -0.260 1.00 10.00 H new ATOM 0 HB2 MET A 44 3.583 5.149 -0.988 1.00 10.00 H new ATOM 0 HB3 MET A 44 2.851 3.637 -1.488 1.00 10.00 H new ATOM 0 HG2 MET A 44 0.964 5.117 -2.500 1.00 10.00 H new ATOM 0 HG3 MET A 44 2.087 6.448 -2.301 1.00 10.00 H new ATOM 0 HE1 MET A 44 5.123 5.284 -4.560 1.00 10.00 H new ATOM 0 HE2 MET A 44 4.449 6.638 -3.623 1.00 10.00 H new ATOM 0 HE3 MET A 44 4.899 5.125 -2.802 1.00 10.00 H new ATOM 473 N LYS A 45 3.366 4.267 1.754 1.00 10.00 N ATOM 474 CA LYS A 45 4.027 3.505 2.805 1.00 10.00 C ATOM 475 C LYS A 45 3.090 3.262 3.985 1.00 10.00 C ATOM 476 O LYS A 45 3.085 2.179 4.566 1.00 10.00 O ATOM 477 CB LYS A 45 5.286 4.227 3.286 1.00 10.00 C ATOM 478 CG LYS A 45 6.432 4.187 2.288 1.00 10.00 C ATOM 479 CD LYS A 45 7.718 4.735 2.891 1.00 10.00 C ATOM 480 CE LYS A 45 7.631 6.233 3.147 1.00 10.00 C ATOM 481 NZ LYS A 45 8.886 6.779 3.735 1.00 10.00 N ATOM 0 H LYS A 45 3.771 5.188 1.585 1.00 10.00 H new ATOM 0 HA LYS A 45 4.309 2.541 2.382 1.00 10.00 H new ATOM 0 HB2 LYS A 45 5.039 5.267 3.500 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.616 3.778 4.223 1.00 10.00 H new ATOM 0 HG2 LYS A 45 6.592 3.161 1.958 1.00 10.00 H new ATOM 0 HG3 LYS A 45 6.167 4.768 1.405 1.00 10.00 H new ATOM 0 HD2 LYS A 45 7.929 4.218 3.827 1.00 10.00 H new ATOM 0 HD3 LYS A 45 8.551 4.529 2.219 1.00 10.00 H new ATOM 0 HE2 LYS A 45 7.417 6.748 2.210 1.00 10.00 H new ATOM 0 HE3 LYS A 45 6.798 6.437 3.820 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 8.780 7.802 3.892 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 9.078 6.308 4.642 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 9.678 6.609 3.082 1.00 10.00 H new ATOM 495 N ALA A 46 2.290 4.269 4.321 1.00 10.00 N ATOM 496 CA ALA A 46 1.351 4.169 5.436 1.00 10.00 C ATOM 497 C ALA A 46 0.399 2.986 5.267 1.00 10.00 C ATOM 498 O ALA A 46 0.296 2.133 6.150 1.00 10.00 O ATOM 499 CB ALA A 46 0.573 5.466 5.586 1.00 10.00 C ATOM 0 H ALA A 46 2.272 5.166 3.836 1.00 10.00 H new ATOM 0 HA ALA A 46 1.928 3.996 6.344 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -0.123 5.378 6.420 1.00 10.00 H new ATOM 0 HB2 ALA A 46 1.266 6.286 5.776 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.018 5.665 4.669 1.00 10.00 H new ATOM 505 N TYR A 47 -0.279 2.922 4.125 1.00 10.00 N ATOM 506 CA TYR A 47 -1.209 1.829 3.860 1.00 10.00 C ATOM 507 C TYR A 47 -0.446 0.515 3.723 1.00 10.00 C ATOM 508 O TYR A 47 -0.925 -0.543 4.134 1.00 10.00 O ATOM 509 CB TYR A 47 -2.028 2.106 2.596 1.00 10.00 C ATOM 510 CG TYR A 47 -3.088 1.060 2.319 1.00 10.00 C ATOM 511 CD1 TYR A 47 -3.002 0.229 1.208 1.00 10.00 C ATOM 512 CD2 TYR A 47 -4.170 0.899 3.175 1.00 10.00 C ATOM 513 CE1 TYR A 47 -3.965 -0.730 0.959 1.00 10.00 C ATOM 514 CE2 TYR A 47 -5.138 -0.057 2.931 1.00 10.00 C ATOM 515 CZ TYR A 47 -5.030 -0.869 1.823 1.00 10.00 C ATOM 516 OH TYR A 47 -5.989 -1.827 1.580 1.00 10.00 O ATOM 0 H TYR A 47 -0.203 3.608 3.374 1.00 10.00 H new ATOM 0 HA TYR A 47 -1.899 1.751 4.700 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.507 3.081 2.690 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -1.354 2.163 1.741 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.169 0.335 0.529 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.256 1.532 4.046 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -3.884 -1.368 0.091 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -5.975 -0.167 3.605 1.00 10.00 H new ATOM 0 HH TYR A 47 -6.670 -1.794 2.284 1.00 10.00 H new ATOM 526 N CYS A 48 0.751 0.608 3.159 1.00 10.00 N ATOM 527 CA CYS A 48 1.617 -0.546 2.968 1.00 10.00 C ATOM 528 C CYS A 48 1.936 -1.205 4.312 1.00 10.00 C ATOM 529 O CYS A 48 1.824 -2.424 4.461 1.00 10.00 O ATOM 530 CB CYS A 48 2.904 -0.094 2.273 1.00 10.00 C ATOM 531 SG CYS A 48 4.211 -1.335 2.205 1.00 10.00 S ATOM 0 H CYS A 48 1.148 1.485 2.822 1.00 10.00 H new ATOM 0 HA CYS A 48 1.108 -1.283 2.346 1.00 10.00 H new ATOM 0 HB2 CYS A 48 2.661 0.212 1.255 1.00 10.00 H new ATOM 0 HB3 CYS A 48 3.287 0.787 2.788 1.00 10.00 H new ATOM 0 HG CYS A 48 3.758 -2.467 2.655 1.00 10.00 H new ATOM 537 N GLU A 49 2.311 -0.386 5.291 1.00 10.00 N ATOM 538 CA GLU A 49 2.642 -0.877 6.623 1.00 10.00 C ATOM 539 C GLU A 49 1.378 -1.269 7.385 1.00 10.00 C ATOM 540 O GLU A 49 1.381 -2.227 8.158 1.00 10.00 O ATOM 541 CB GLU A 49 3.417 0.188 7.400 1.00 10.00 C ATOM 542 CG GLU A 49 4.725 0.596 6.745 1.00 10.00 C ATOM 543 CD GLU A 49 5.404 1.734 7.475 1.00 10.00 C ATOM 544 OE1 GLU A 49 5.569 1.636 8.710 1.00 10.00 O ATOM 545 OE2 GLU A 49 5.791 2.725 6.825 1.00 10.00 O ATOM 0 H GLU A 49 2.393 0.625 5.185 1.00 10.00 H new ATOM 0 HA GLU A 49 3.267 -1.763 6.517 1.00 10.00 H new ATOM 0 HB2 GLU A 49 2.788 1.071 7.514 1.00 10.00 H new ATOM 0 HB3 GLU A 49 3.625 -0.187 8.402 1.00 10.00 H new ATOM 0 HG2 GLU A 49 5.395 -0.263 6.712 1.00 10.00 H new ATOM 0 HG3 GLU A 49 4.535 0.892 5.713 1.00 10.00 H new ATOM 552 N ARG A 50 0.302 -0.525 7.146 1.00 10.00 N ATOM 553 CA ARG A 50 -0.987 -0.770 7.794 1.00 10.00 C ATOM 554 C ARG A 50 -1.442 -2.214 7.591 1.00 10.00 C ATOM 555 O ARG A 50 -1.728 -2.927 8.553 1.00 10.00 O ATOM 556 CB ARG A 50 -2.039 0.185 7.223 1.00 10.00 C ATOM 557 CG ARG A 50 -3.282 0.339 8.088 1.00 10.00 C ATOM 558 CD ARG A 50 -3.145 1.497 9.066 1.00 10.00 C ATOM 559 NE ARG A 50 -2.586 1.072 10.346 1.00 10.00 N ATOM 560 CZ ARG A 50 -3.320 0.624 11.363 1.00 10.00 C ATOM 561 NH1 ARG A 50 -4.640 0.528 11.244 1.00 10.00 N ATOM 562 NH2 ARG A 50 -2.730 0.273 12.498 1.00 10.00 N ATOM 0 H ARG A 50 0.297 0.264 6.499 1.00 10.00 H new ATOM 0 HA ARG A 50 -0.870 -0.596 8.864 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -1.584 1.166 7.083 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -2.339 -0.171 6.237 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -4.151 0.501 7.451 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -3.459 -0.584 8.639 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -2.507 2.266 8.630 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -4.123 1.950 9.230 1.00 10.00 H new ATOM 0 HE ARG A 50 -1.575 1.121 10.468 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -5.094 0.798 10.372 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -5.199 0.184 12.025 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -1.717 0.347 12.590 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -3.289 -0.070 13.279 1.00 10.00 H new ATOM 576 N GLN A 51 -1.484 -2.641 6.335 1.00 10.00 N ATOM 577 CA GLN A 51 -1.913 -3.992 6.001 1.00 10.00 C ATOM 578 C GLN A 51 -0.793 -5.004 6.214 1.00 10.00 C ATOM 579 O GLN A 51 -1.035 -6.210 6.252 1.00 10.00 O ATOM 580 CB GLN A 51 -2.395 -4.044 4.553 1.00 10.00 C ATOM 581 CG GLN A 51 -3.644 -3.216 4.308 1.00 10.00 C ATOM 582 CD GLN A 51 -4.842 -3.717 5.093 1.00 10.00 C ATOM 583 OE1 GLN A 51 -5.099 -3.273 6.213 1.00 10.00 O ATOM 584 NE2 GLN A 51 -5.586 -4.639 4.507 1.00 10.00 N ATOM 0 H GLN A 51 -1.226 -2.070 5.530 1.00 10.00 H new ATOM 0 HA GLN A 51 -2.734 -4.256 6.667 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -1.598 -3.690 3.899 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -2.595 -5.080 4.280 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -3.446 -2.179 4.578 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -3.881 -3.229 3.244 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -5.338 -4.980 3.578 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -6.408 -5.010 4.984 1.00 10.00 H new ATOM 593 N GLY A 52 0.428 -4.511 6.353 1.00 10.00 N ATOM 594 CA GLY A 52 1.561 -5.390 6.566 1.00 10.00 C ATOM 595 C GLY A 52 2.029 -6.061 5.290 1.00 10.00 C ATOM 596 O GLY A 52 2.163 -7.283 5.236 1.00 10.00 O ATOM 0 H GLY A 52 0.656 -3.517 6.322 1.00 10.00 H new ATOM 0 HA2 GLY A 52 2.384 -4.818 6.994 1.00 10.00 H new ATOM 0 HA3 GLY A 52 1.291 -6.154 7.295 1.00 10.00 H new ATOM 600 N LEU A 53 2.273 -5.264 4.261 1.00 10.00 N ATOM 601 CA LEU A 53 2.739 -5.780 2.979 1.00 10.00 C ATOM 602 C LEU A 53 3.950 -4.978 2.525 1.00 10.00 C ATOM 603 O LEU A 53 4.324 -4.004 3.176 1.00 10.00 O ATOM 604 CB LEU A 53 1.627 -5.689 1.928 1.00 10.00 C ATOM 605 CG LEU A 53 0.344 -6.456 2.261 1.00 10.00 C ATOM 606 CD1 LEU A 53 -0.779 -6.049 1.320 1.00 10.00 C ATOM 607 CD2 LEU A 53 0.586 -7.958 2.189 1.00 10.00 C ATOM 0 H LEU A 53 2.156 -4.251 4.288 1.00 10.00 H new ATOM 0 HA LEU A 53 3.017 -6.828 3.096 1.00 10.00 H new ATOM 0 HB2 LEU A 53 1.375 -4.639 1.781 1.00 10.00 H new ATOM 0 HB3 LEU A 53 2.016 -6.059 0.979 1.00 10.00 H new ATOM 0 HG LEU A 53 0.047 -6.205 3.279 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -1.683 -6.604 1.571 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -0.969 -4.980 1.421 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -0.491 -6.271 0.292 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -0.336 -8.487 2.429 1.00 10.00 H new ATOM 0 HD22 LEU A 53 0.908 -8.227 1.183 1.00 10.00 H new ATOM 0 HD23 LEU A 53 1.360 -8.236 2.904 1.00 10.00 H new ATOM 619 N SER A 54 4.567 -5.383 1.427 1.00 10.00 N ATOM 620 CA SER A 54 5.723 -4.671 0.902 1.00 10.00 C ATOM 621 C SER A 54 5.279 -3.629 -0.124 1.00 10.00 C ATOM 622 O SER A 54 4.297 -3.834 -0.841 1.00 10.00 O ATOM 623 CB SER A 54 6.704 -5.662 0.273 1.00 10.00 C ATOM 624 OG SER A 54 6.053 -6.873 -0.080 1.00 10.00 O ATOM 0 H SER A 54 4.288 -6.199 0.882 1.00 10.00 H new ATOM 0 HA SER A 54 6.226 -4.155 1.720 1.00 10.00 H new ATOM 0 HB2 SER A 54 7.156 -5.217 -0.613 1.00 10.00 H new ATOM 0 HB3 SER A 54 7.513 -5.871 0.973 1.00 10.00 H new ATOM 0 HG SER A 54 6.702 -7.488 -0.481 1.00 10.00 H new ATOM 630 N MET A 55 6.000 -2.512 -0.199 1.00 10.00 N ATOM 631 CA MET A 55 5.659 -1.443 -1.133 1.00 10.00 C ATOM 632 C MET A 55 5.856 -1.904 -2.574 1.00 10.00 C ATOM 633 O MET A 55 5.197 -1.422 -3.492 1.00 10.00 O ATOM 634 CB MET A 55 6.500 -0.192 -0.859 1.00 10.00 C ATOM 635 CG MET A 55 5.902 1.079 -1.444 1.00 10.00 C ATOM 636 SD MET A 55 6.875 2.552 -1.069 1.00 10.00 S ATOM 637 CE MET A 55 8.227 2.374 -2.231 1.00 10.00 C ATOM 0 H MET A 55 6.822 -2.325 0.375 1.00 10.00 H new ATOM 0 HA MET A 55 4.608 -1.192 -0.988 1.00 10.00 H new ATOM 0 HB2 MET A 55 6.614 -0.069 0.218 1.00 10.00 H new ATOM 0 HB3 MET A 55 7.499 -0.338 -1.271 1.00 10.00 H new ATOM 0 HG2 MET A 55 5.819 0.971 -2.525 1.00 10.00 H new ATOM 0 HG3 MET A 55 4.891 1.210 -1.058 1.00 10.00 H new ATOM 0 HE1 MET A 55 9.176 2.476 -1.704 1.00 10.00 H new ATOM 0 HE2 MET A 55 8.176 1.392 -2.700 1.00 10.00 H new ATOM 0 HE3 MET A 55 8.153 3.146 -2.997 1.00 10.00 H new ATOM 647 N ARG A 56 6.759 -2.855 -2.764 1.00 10.00 N ATOM 648 CA ARG A 56 7.029 -3.385 -4.093 1.00 10.00 C ATOM 649 C ARG A 56 6.000 -4.457 -4.461 1.00 10.00 C ATOM 650 O ARG A 56 6.046 -5.024 -5.552 1.00 10.00 O ATOM 651 CB ARG A 56 8.450 -3.955 -4.164 1.00 10.00 C ATOM 652 CG ARG A 56 8.942 -4.182 -5.587 1.00 10.00 C ATOM 653 CD ARG A 56 10.430 -4.496 -5.623 1.00 10.00 C ATOM 654 NE ARG A 56 10.896 -4.814 -6.973 1.00 10.00 N ATOM 655 CZ ARG A 56 11.493 -3.942 -7.785 1.00 10.00 C ATOM 656 NH1 ARG A 56 11.664 -2.681 -7.408 1.00 10.00 N ATOM 657 NH2 ARG A 56 11.915 -4.333 -8.979 1.00 10.00 N ATOM 0 H ARG A 56 7.315 -3.274 -2.019 1.00 10.00 H new ATOM 0 HA ARG A 56 6.949 -2.571 -4.813 1.00 10.00 H new ATOM 0 HB2 ARG A 56 9.132 -3.273 -3.656 1.00 10.00 H new ATOM 0 HB3 ARG A 56 8.482 -4.900 -3.622 1.00 10.00 H new ATOM 0 HG2 ARG A 56 8.385 -5.004 -6.038 1.00 10.00 H new ATOM 0 HG3 ARG A 56 8.742 -3.294 -6.187 1.00 10.00 H new ATOM 0 HD2 ARG A 56 10.989 -3.642 -5.239 1.00 10.00 H new ATOM 0 HD3 ARG A 56 10.638 -5.337 -4.961 1.00 10.00 H new ATOM 0 HE ARG A 56 10.755 -5.765 -7.315 1.00 10.00 H new ATOM 0 HH11 ARG A 56 11.338 -2.374 -6.492 1.00 10.00 H new ATOM 0 HH12 ARG A 56 12.122 -2.019 -8.035 1.00 10.00 H new ATOM 0 HH21 ARG A 56 11.783 -5.300 -9.275 1.00 10.00 H new ATOM 0 HH22 ARG A 56 12.372 -3.667 -9.602 1.00 10.00 H new ATOM 671 N GLN A 57 5.054 -4.705 -3.560 1.00 10.00 N ATOM 672 CA GLN A 57 4.020 -5.709 -3.787 1.00 10.00 C ATOM 673 C GLN A 57 2.704 -5.070 -4.228 1.00 10.00 C ATOM 674 O GLN A 57 1.880 -5.716 -4.875 1.00 10.00 O ATOM 675 CB GLN A 57 3.793 -6.532 -2.515 1.00 10.00 C ATOM 676 CG GLN A 57 2.953 -7.780 -2.733 1.00 10.00 C ATOM 677 CD GLN A 57 2.551 -8.449 -1.432 1.00 10.00 C ATOM 678 OE1 GLN A 57 3.256 -8.364 -0.428 1.00 10.00 O ATOM 679 NE2 GLN A 57 1.414 -9.127 -1.443 1.00 10.00 N ATOM 0 H GLN A 57 4.982 -4.223 -2.664 1.00 10.00 H new ATOM 0 HA GLN A 57 4.365 -6.363 -4.588 1.00 10.00 H new ATOM 0 HB2 GLN A 57 4.760 -6.823 -2.105 1.00 10.00 H new ATOM 0 HB3 GLN A 57 3.306 -5.904 -1.769 1.00 10.00 H new ATOM 0 HG2 GLN A 57 2.056 -7.516 -3.294 1.00 10.00 H new ATOM 0 HG3 GLN A 57 3.513 -8.488 -3.343 1.00 10.00 H new ATOM 0 HE21 GLN A 57 0.857 -9.174 -2.296 1.00 10.00 H new ATOM 0 HE22 GLN A 57 1.095 -9.602 -0.599 1.00 10.00 H new ATOM 688 N ILE A 58 2.508 -3.803 -3.892 1.00 10.00 N ATOM 689 CA ILE A 58 1.272 -3.113 -4.249 1.00 10.00 C ATOM 690 C ILE A 58 1.527 -1.956 -5.209 1.00 10.00 C ATOM 691 O ILE A 58 2.624 -1.401 -5.257 1.00 10.00 O ATOM 692 CB ILE A 58 0.525 -2.593 -3.003 1.00 10.00 C ATOM 693 CG1 ILE A 58 1.503 -1.938 -2.022 1.00 10.00 C ATOM 694 CG2 ILE A 58 -0.235 -3.729 -2.333 1.00 10.00 C ATOM 695 CD1 ILE A 58 0.851 -1.446 -0.746 1.00 10.00 C ATOM 0 H ILE A 58 3.181 -3.234 -3.378 1.00 10.00 H new ATOM 0 HA ILE A 58 0.645 -3.851 -4.749 1.00 10.00 H new ATOM 0 HB ILE A 58 -0.194 -1.836 -3.318 1.00 10.00 H new ATOM 0 HG12 ILE A 58 2.283 -2.656 -1.767 1.00 10.00 H new ATOM 0 HG13 ILE A 58 1.992 -1.098 -2.517 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -0.758 -3.349 -1.455 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -0.958 -4.146 -3.034 1.00 10.00 H new ATOM 0 HG23 ILE A 58 0.466 -4.507 -2.029 1.00 10.00 H new ATOM 0 HD11 ILE A 58 1.606 -0.995 -0.102 1.00 10.00 H new ATOM 0 HD12 ILE A 58 0.091 -0.704 -0.989 1.00 10.00 H new ATOM 0 HD13 ILE A 58 0.387 -2.285 -0.228 1.00 10.00 H new ATOM 707 N ARG A 59 0.506 -1.613 -5.985 1.00 10.00 N ATOM 708 CA ARG A 59 0.589 -0.528 -6.954 1.00 10.00 C ATOM 709 C ARG A 59 -0.536 0.468 -6.719 1.00 10.00 C ATOM 710 O ARG A 59 -1.709 0.096 -6.726 1.00 10.00 O ATOM 711 CB ARG A 59 0.493 -1.072 -8.385 1.00 10.00 C ATOM 712 CG ARG A 59 1.521 -2.138 -8.711 1.00 10.00 C ATOM 713 CD ARG A 59 2.930 -1.571 -8.725 1.00 10.00 C ATOM 714 NE ARG A 59 3.934 -2.624 -8.846 1.00 10.00 N ATOM 715 CZ ARG A 59 4.795 -2.953 -7.885 1.00 10.00 C ATOM 716 NH1 ARG A 59 4.761 -2.329 -6.710 1.00 10.00 N ATOM 717 NH2 ARG A 59 5.681 -3.920 -8.099 1.00 10.00 N ATOM 0 H ARG A 59 -0.401 -2.079 -5.960 1.00 10.00 H new ATOM 0 HA ARG A 59 1.551 -0.031 -6.827 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -0.504 -1.484 -8.540 1.00 10.00 H new ATOM 0 HB3 ARG A 59 0.608 -0.245 -9.085 1.00 10.00 H new ATOM 0 HG2 ARG A 59 1.459 -2.941 -7.976 1.00 10.00 H new ATOM 0 HG3 ARG A 59 1.295 -2.577 -9.683 1.00 10.00 H new ATOM 0 HD2 ARG A 59 3.033 -0.873 -9.555 1.00 10.00 H new ATOM 0 HD3 ARG A 59 3.104 -1.006 -7.810 1.00 10.00 H new ATOM 0 HE ARG A 59 3.979 -3.141 -9.724 1.00 10.00 H new ATOM 0 HH11 ARG A 59 4.073 -1.595 -6.542 1.00 10.00 H new ATOM 0 HH12 ARG A 59 5.423 -2.585 -5.977 1.00 10.00 H new ATOM 0 HH21 ARG A 59 5.699 -4.406 -8.996 1.00 10.00 H new ATOM 0 HH22 ARG A 59 6.343 -4.176 -7.367 1.00 10.00 H new ATOM 731 N PHE A 60 -0.182 1.725 -6.517 1.00 10.00 N ATOM 732 CA PHE A 60 -1.173 2.766 -6.279 1.00 10.00 C ATOM 733 C PHE A 60 -1.526 3.476 -7.579 1.00 10.00 C ATOM 734 O PHE A 60 -0.646 3.942 -8.306 1.00 10.00 O ATOM 735 CB PHE A 60 -0.656 3.779 -5.256 1.00 10.00 C ATOM 736 CG PHE A 60 -0.727 3.295 -3.835 1.00 10.00 C ATOM 737 CD1 PHE A 60 0.100 2.275 -3.393 1.00 10.00 C ATOM 738 CD2 PHE A 60 -1.618 3.869 -2.940 1.00 10.00 C ATOM 739 CE1 PHE A 60 0.041 1.835 -2.088 1.00 10.00 C ATOM 740 CE2 PHE A 60 -1.681 3.430 -1.631 1.00 10.00 C ATOM 741 CZ PHE A 60 -0.852 2.412 -1.205 1.00 10.00 C ATOM 0 H PHE A 60 0.784 2.052 -6.513 1.00 10.00 H new ATOM 0 HA PHE A 60 -2.071 2.293 -5.881 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.378 4.027 -5.494 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -1.233 4.699 -5.346 1.00 10.00 H new ATOM 0 HD1 PHE A 60 0.799 1.819 -4.079 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -2.268 4.666 -3.269 1.00 10.00 H new ATOM 0 HE1 PHE A 60 0.692 1.040 -1.756 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -2.378 3.883 -0.942 1.00 10.00 H new ATOM 0 HZ PHE A 60 -0.901 2.067 -0.183 1.00 10.00 H new ATOM 751 N ARG A 61 -2.815 3.543 -7.874 1.00 10.00 N ATOM 752 CA ARG A 61 -3.282 4.196 -9.085 1.00 10.00 C ATOM 753 C ARG A 61 -4.275 5.303 -8.770 1.00 10.00 C ATOM 754 O ARG A 61 -5.255 5.096 -8.051 1.00 10.00 O ATOM 755 CB ARG A 61 -3.933 3.185 -10.031 1.00 10.00 C ATOM 756 CG ARG A 61 -2.941 2.315 -10.781 1.00 10.00 C ATOM 757 CD ARG A 61 -3.589 1.674 -11.996 1.00 10.00 C ATOM 758 NE ARG A 61 -2.745 0.646 -12.604 1.00 10.00 N ATOM 759 CZ ARG A 61 -2.035 0.823 -13.720 1.00 10.00 C ATOM 760 NH1 ARG A 61 -2.063 1.988 -14.357 1.00 10.00 N ATOM 761 NH2 ARG A 61 -1.301 -0.169 -14.205 1.00 10.00 N ATOM 0 H ARG A 61 -3.556 3.153 -7.291 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.411 4.635 -9.571 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -4.602 2.544 -9.457 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -4.548 3.722 -10.753 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -2.088 2.917 -11.094 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -2.557 1.540 -10.118 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -4.542 1.232 -11.705 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -3.808 2.444 -12.736 1.00 10.00 H new ATOM 0 HE ARG A 61 -2.696 -0.264 -12.146 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -2.630 2.754 -13.994 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -1.518 2.116 -15.209 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -1.279 -1.069 -13.725 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -0.759 -0.032 -15.058 1.00 10.00 H new ATOM 775 N PHE A 62 -4.007 6.477 -9.311 1.00 10.00 N ATOM 776 CA PHE A 62 -4.870 7.624 -9.136 1.00 10.00 C ATOM 777 C PHE A 62 -5.484 7.979 -10.480 1.00 10.00 C ATOM 778 O PHE A 62 -4.780 8.425 -11.389 1.00 10.00 O ATOM 779 CB PHE A 62 -4.088 8.815 -8.579 1.00 10.00 C ATOM 780 CG PHE A 62 -4.891 10.085 -8.524 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.911 10.234 -7.602 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.632 11.124 -9.406 1.00 10.00 C ATOM 783 CE1 PHE A 62 -6.654 11.397 -7.551 1.00 10.00 C ATOM 784 CE2 PHE A 62 -5.371 12.290 -9.361 1.00 10.00 C ATOM 785 CZ PHE A 62 -6.388 12.425 -8.435 1.00 10.00 C ATOM 0 H PHE A 62 -3.183 6.659 -9.884 1.00 10.00 H new ATOM 0 HA PHE A 62 -5.655 7.380 -8.421 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -3.737 8.572 -7.576 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -3.204 8.980 -9.195 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.129 9.431 -6.913 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -3.843 11.020 -10.136 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -7.442 11.503 -6.821 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -5.155 13.095 -10.048 1.00 10.00 H new ATOM 0 HZ PHE A 62 -6.973 13.332 -8.402 1.00 10.00 H new ATOM 795 N ASP A 63 -6.786 7.745 -10.609 1.00 10.00 N ATOM 796 CA ASP A 63 -7.506 8.026 -11.849 1.00 10.00 C ATOM 797 C ASP A 63 -6.890 7.229 -13.000 1.00 10.00 C ATOM 798 O ASP A 63 -6.782 7.706 -14.132 1.00 10.00 O ATOM 799 CB ASP A 63 -7.502 9.531 -12.155 1.00 10.00 C ATOM 800 CG ASP A 63 -8.590 9.934 -13.132 1.00 10.00 C ATOM 801 OD1 ASP A 63 -9.661 9.292 -13.137 1.00 10.00 O ATOM 802 OD2 ASP A 63 -8.388 10.905 -13.892 1.00 10.00 O ATOM 0 H ASP A 63 -7.368 7.359 -9.866 1.00 10.00 H new ATOM 0 HA ASP A 63 -8.545 7.718 -11.730 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.630 10.087 -11.226 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -6.531 9.812 -12.563 1.00 10.00 H new ATOM 807 N GLY A 64 -6.464 6.010 -12.682 1.00 10.00 N ATOM 808 CA GLY A 64 -5.866 5.136 -13.672 1.00 10.00 C ATOM 809 C GLY A 64 -4.355 5.275 -13.758 1.00 10.00 C ATOM 810 O GLY A 64 -3.652 4.299 -14.028 1.00 10.00 O ATOM 0 H GLY A 64 -6.524 5.610 -11.746 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -6.116 4.102 -13.433 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -6.301 5.352 -14.648 1.00 10.00 H new ATOM 814 N GLN A 65 -3.852 6.476 -13.503 1.00 10.00 N ATOM 815 CA GLN A 65 -2.418 6.743 -13.584 1.00 10.00 C ATOM 816 C GLN A 65 -1.696 6.305 -12.310 1.00 10.00 C ATOM 817 O GLN A 65 -2.161 6.574 -11.206 1.00 10.00 O ATOM 818 CB GLN A 65 -2.174 8.233 -13.834 1.00 10.00 C ATOM 819 CG GLN A 65 -2.917 8.778 -15.044 1.00 10.00 C ATOM 820 CD GLN A 65 -2.557 8.062 -16.331 1.00 10.00 C ATOM 821 OE1 GLN A 65 -3.182 7.065 -16.701 1.00 10.00 O ATOM 822 NE2 GLN A 65 -1.544 8.558 -17.021 1.00 10.00 N ATOM 0 H GLN A 65 -4.416 7.284 -13.238 1.00 10.00 H new ATOM 0 HA GLN A 65 -2.017 6.165 -14.416 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.475 8.795 -12.950 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -1.105 8.400 -13.969 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -3.990 8.691 -14.874 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -2.696 9.840 -15.151 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -1.052 9.385 -16.682 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -1.255 8.114 -17.893 1.00 10.00 H new ATOM 831 N PRO A 66 -0.557 5.604 -12.445 1.00 10.00 N ATOM 832 CA PRO A 66 0.229 5.146 -11.296 1.00 10.00 C ATOM 833 C PRO A 66 0.845 6.312 -10.524 1.00 10.00 C ATOM 834 O PRO A 66 1.330 7.278 -11.118 1.00 10.00 O ATOM 835 CB PRO A 66 1.335 4.281 -11.920 1.00 10.00 C ATOM 836 CG PRO A 66 0.905 4.024 -13.324 1.00 10.00 C ATOM 837 CD PRO A 66 0.052 5.193 -13.720 1.00 10.00 C ATOM 0 HA PRO A 66 -0.387 4.607 -10.576 1.00 10.00 H new ATOM 0 HB2 PRO A 66 2.296 4.795 -11.893 1.00 10.00 H new ATOM 0 HB3 PRO A 66 1.458 3.347 -11.371 1.00 10.00 H new ATOM 0 HG2 PRO A 66 1.767 3.930 -13.984 1.00 10.00 H new ATOM 0 HG3 PRO A 66 0.345 3.091 -13.395 1.00 10.00 H new ATOM 0 HD2 PRO A 66 0.645 5.994 -14.161 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -0.702 4.912 -14.456 1.00 10.00 H new ATOM 845 N ILE A 67 0.822 6.215 -9.203 1.00 10.00 N ATOM 846 CA ILE A 67 1.376 7.260 -8.349 1.00 10.00 C ATOM 847 C ILE A 67 2.877 7.059 -8.150 1.00 10.00 C ATOM 848 O ILE A 67 3.327 5.963 -7.805 1.00 10.00 O ATOM 849 CB ILE A 67 0.676 7.290 -6.971 1.00 10.00 C ATOM 850 CG1 ILE A 67 -0.835 7.456 -7.146 1.00 10.00 C ATOM 851 CG2 ILE A 67 1.240 8.409 -6.110 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.599 7.524 -5.841 1.00 10.00 C ATOM 0 H ILE A 67 0.426 5.423 -8.697 1.00 10.00 H new ATOM 0 HA ILE A 67 1.203 8.212 -8.850 1.00 10.00 H new ATOM 0 HB ILE A 67 0.864 6.342 -6.466 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -1.027 8.365 -7.716 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.216 6.623 -7.736 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.735 8.415 -5.144 1.00 10.00 H new ATOM 0 HG22 ILE A 67 2.308 8.250 -5.960 1.00 10.00 H new ATOM 0 HG23 ILE A 67 1.082 9.366 -6.607 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.663 7.642 -6.048 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -1.439 6.605 -5.277 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -1.247 8.374 -5.257 1.00 10.00 H new ATOM 864 N ASN A 68 3.646 8.115 -8.381 1.00 10.00 N ATOM 865 CA ASN A 68 5.092 8.059 -8.221 1.00 10.00 C ATOM 866 C ASN A 68 5.483 8.512 -6.819 1.00 10.00 C ATOM 867 O ASN A 68 4.694 9.146 -6.117 1.00 10.00 O ATOM 868 CB ASN A 68 5.792 8.947 -9.257 1.00 10.00 C ATOM 869 CG ASN A 68 5.452 8.574 -10.688 1.00 10.00 C ATOM 870 OD1 ASN A 68 6.159 7.791 -11.326 1.00 10.00 O ATOM 871 ND2 ASN A 68 4.371 9.137 -11.205 1.00 10.00 N ATOM 0 H ASN A 68 3.291 9.023 -8.681 1.00 10.00 H new ATOM 0 HA ASN A 68 5.408 7.027 -8.373 1.00 10.00 H new ATOM 0 HB2 ASN A 68 5.514 9.986 -9.083 1.00 10.00 H new ATOM 0 HB3 ASN A 68 6.871 8.878 -9.116 1.00 10.00 H new ATOM 0 HD21 ASN A 68 4.097 8.928 -12.165 1.00 10.00 H new ATOM 0 HD22 ASN A 68 3.813 9.780 -10.643 1.00 10.00 H new ATOM 878 N GLU A 69 6.711 8.204 -6.422 1.00 10.00 N ATOM 879 CA GLU A 69 7.212 8.580 -5.104 1.00 10.00 C ATOM 880 C GLU A 69 7.508 10.079 -5.047 1.00 10.00 C ATOM 881 O GLU A 69 7.813 10.629 -3.986 1.00 10.00 O ATOM 882 CB GLU A 69 8.471 7.777 -4.773 1.00 10.00 C ATOM 883 CG GLU A 69 8.257 6.272 -4.792 1.00 10.00 C ATOM 884 CD GLU A 69 9.555 5.503 -4.918 1.00 10.00 C ATOM 885 OE1 GLU A 69 10.074 5.023 -3.888 1.00 10.00 O ATOM 886 OE2 GLU A 69 10.069 5.384 -6.048 1.00 10.00 O ATOM 0 H GLU A 69 7.382 7.693 -6.996 1.00 10.00 H new ATOM 0 HA GLU A 69 6.444 8.355 -4.364 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.253 8.033 -5.488 1.00 10.00 H new ATOM 0 HB3 GLU A 69 8.831 8.072 -3.787 1.00 10.00 H new ATOM 0 HG2 GLU A 69 7.747 5.969 -3.878 1.00 10.00 H new ATOM 0 HG3 GLU A 69 7.602 6.012 -5.624 1.00 10.00 H new ATOM 893 N THR A 70 7.426 10.725 -6.198 1.00 10.00 N ATOM 894 CA THR A 70 7.669 12.153 -6.301 1.00 10.00 C ATOM 895 C THR A 70 6.358 12.917 -6.479 1.00 10.00 C ATOM 896 O THR A 70 6.353 14.137 -6.638 1.00 10.00 O ATOM 897 CB THR A 70 8.589 12.449 -7.499 1.00 10.00 C ATOM 898 OG1 THR A 70 8.982 11.211 -8.114 1.00 10.00 O ATOM 899 CG2 THR A 70 9.822 13.225 -7.064 1.00 10.00 C ATOM 0 H THR A 70 7.190 10.276 -7.083 1.00 10.00 H new ATOM 0 HA THR A 70 8.148 12.479 -5.378 1.00 10.00 H new ATOM 0 HB THR A 70 8.041 13.061 -8.216 1.00 10.00 H new ATOM 0 HG1 THR A 70 9.567 11.397 -8.878 1.00 10.00 H new ATOM 0 HG21 THR A 70 10.454 13.420 -7.931 1.00 10.00 H new ATOM 0 HG22 THR A 70 9.517 14.171 -6.617 1.00 10.00 H new ATOM 0 HG23 THR A 70 10.380 12.641 -6.332 1.00 10.00 H new ATOM 907 N ASP A 71 5.245 12.198 -6.428 1.00 10.00 N ATOM 908 CA ASP A 71 3.939 12.814 -6.616 1.00 10.00 C ATOM 909 C ASP A 71 3.363 13.334 -5.309 1.00 10.00 C ATOM 910 O ASP A 71 3.690 12.846 -4.222 1.00 10.00 O ATOM 911 CB ASP A 71 2.958 11.829 -7.254 1.00 10.00 C ATOM 912 CG ASP A 71 3.036 11.833 -8.765 1.00 10.00 C ATOM 913 OD1 ASP A 71 2.918 12.921 -9.367 1.00 10.00 O ATOM 914 OD2 ASP A 71 3.229 10.750 -9.358 1.00 10.00 O ATOM 0 H ASP A 71 5.220 11.192 -6.259 1.00 10.00 H new ATOM 0 HA ASP A 71 4.083 13.662 -7.285 1.00 10.00 H new ATOM 0 HB2 ASP A 71 3.165 10.824 -6.885 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.943 12.080 -6.945 1.00 10.00 H new ATOM 919 N THR A 72 2.503 14.330 -5.434 1.00 10.00 N ATOM 920 CA THR A 72 1.844 14.945 -4.297 1.00 10.00 C ATOM 921 C THR A 72 0.403 15.285 -4.669 1.00 10.00 C ATOM 922 O THR A 72 0.092 15.418 -5.856 1.00 10.00 O ATOM 923 CB THR A 72 2.575 16.228 -3.854 1.00 10.00 C ATOM 924 OG1 THR A 72 3.239 16.823 -4.975 1.00 10.00 O ATOM 925 CG2 THR A 72 3.588 15.935 -2.760 1.00 10.00 C ATOM 0 H THR A 72 2.242 14.736 -6.332 1.00 10.00 H new ATOM 0 HA THR A 72 1.861 14.238 -3.468 1.00 10.00 H new ATOM 0 HB THR A 72 1.831 16.919 -3.457 1.00 10.00 H new ATOM 0 HG1 THR A 72 3.700 17.638 -4.687 1.00 10.00 H new ATOM 0 HG21 THR A 72 4.087 16.859 -2.469 1.00 10.00 H new ATOM 0 HG22 THR A 72 3.077 15.511 -1.896 1.00 10.00 H new ATOM 0 HG23 THR A 72 4.327 15.225 -3.130 1.00 10.00 H new ATOM 933 N PRO A 73 -0.496 15.428 -3.678 1.00 10.00 N ATOM 934 CA PRO A 73 -1.903 15.757 -3.935 1.00 10.00 C ATOM 935 C PRO A 73 -2.053 17.044 -4.744 1.00 10.00 C ATOM 936 O PRO A 73 -2.847 17.112 -5.678 1.00 10.00 O ATOM 937 CB PRO A 73 -2.498 15.929 -2.533 1.00 10.00 C ATOM 938 CG PRO A 73 -1.597 15.156 -1.637 1.00 10.00 C ATOM 939 CD PRO A 73 -0.224 15.269 -2.237 1.00 10.00 C ATOM 0 HA PRO A 73 -2.401 14.987 -4.525 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -2.534 16.980 -2.246 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -3.519 15.551 -2.488 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.615 15.558 -0.624 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -1.910 14.114 -1.572 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.322 16.122 -1.834 1.00 10.00 H new ATOM 0 HD3 PRO A 73 0.377 14.382 -2.036 1.00 10.00 H new ATOM 947 N ALA A 74 -1.266 18.051 -4.390 1.00 10.00 N ATOM 948 CA ALA A 74 -1.303 19.337 -5.076 1.00 10.00 C ATOM 949 C ALA A 74 -0.758 19.226 -6.499 1.00 10.00 C ATOM 950 O ALA A 74 -1.161 19.977 -7.387 1.00 10.00 O ATOM 951 CB ALA A 74 -0.513 20.372 -4.288 1.00 10.00 C ATOM 0 H ALA A 74 -0.590 18.002 -3.627 1.00 10.00 H new ATOM 0 HA ALA A 74 -2.344 19.654 -5.142 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.547 21.329 -4.809 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -0.949 20.484 -3.295 1.00 10.00 H new ATOM 0 HB3 ALA A 74 0.523 20.046 -4.195 1.00 10.00 H new ATOM 957 N GLN A 75 0.147 18.277 -6.710 1.00 10.00 N ATOM 958 CA GLN A 75 0.757 18.073 -8.019 1.00 10.00 C ATOM 959 C GLN A 75 -0.203 17.359 -8.963 1.00 10.00 C ATOM 960 O GLN A 75 -0.431 17.804 -10.087 1.00 10.00 O ATOM 961 CB GLN A 75 2.053 17.267 -7.878 1.00 10.00 C ATOM 962 CG GLN A 75 2.783 17.031 -9.191 1.00 10.00 C ATOM 963 CD GLN A 75 3.130 18.320 -9.907 1.00 10.00 C ATOM 964 OE1 GLN A 75 4.174 18.919 -9.661 1.00 10.00 O ATOM 965 NE2 GLN A 75 2.259 18.752 -10.805 1.00 10.00 N ATOM 0 H GLN A 75 0.475 17.635 -5.989 1.00 10.00 H new ATOM 0 HA GLN A 75 0.989 19.050 -8.442 1.00 10.00 H new ATOM 0 HB2 GLN A 75 2.720 17.789 -7.192 1.00 10.00 H new ATOM 0 HB3 GLN A 75 1.821 16.303 -7.425 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.697 16.470 -8.998 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.162 16.415 -9.841 1.00 10.00 H new ATOM 0 HE21 GLN A 75 1.403 18.225 -10.980 1.00 10.00 H new ATOM 0 HE22 GLN A 75 2.443 19.612 -11.322 1.00 10.00 H new ATOM 974 N LEU A 76 -0.777 16.259 -8.491 1.00 10.00 N ATOM 975 CA LEU A 76 -1.709 15.469 -9.292 1.00 10.00 C ATOM 976 C LEU A 76 -3.088 16.117 -9.349 1.00 10.00 C ATOM 977 O LEU A 76 -4.013 15.565 -9.949 1.00 10.00 O ATOM 978 CB LEU A 76 -1.828 14.057 -8.716 1.00 10.00 C ATOM 979 CG LEU A 76 -0.868 13.022 -9.305 1.00 10.00 C ATOM 980 CD1 LEU A 76 -0.857 11.761 -8.458 1.00 10.00 C ATOM 981 CD2 LEU A 76 -1.257 12.688 -10.737 1.00 10.00 C ATOM 0 H LEU A 76 -0.614 15.891 -7.554 1.00 10.00 H new ATOM 0 HA LEU A 76 -1.315 15.420 -10.307 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -1.664 14.108 -7.640 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -2.849 13.707 -8.867 1.00 10.00 H new ATOM 0 HG LEU A 76 0.135 13.449 -9.306 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -0.168 11.037 -8.893 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -0.535 12.005 -7.446 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -1.860 11.335 -8.427 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -0.563 11.950 -11.140 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -2.268 12.282 -10.754 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -1.219 13.592 -11.345 1.00 10.00 H new ATOM 993 N GLU A 77 -3.217 17.286 -8.725 1.00 10.00 N ATOM 994 CA GLU A 77 -4.479 18.016 -8.685 1.00 10.00 C ATOM 995 C GLU A 77 -5.567 17.156 -8.057 1.00 10.00 C ATOM 996 O GLU A 77 -6.667 17.012 -8.595 1.00 10.00 O ATOM 997 CB GLU A 77 -4.891 18.485 -10.085 1.00 10.00 C ATOM 998 CG GLU A 77 -4.222 19.783 -10.508 1.00 10.00 C ATOM 999 CD GLU A 77 -4.665 20.970 -9.674 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -5.526 20.796 -8.789 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -4.162 22.090 -9.905 1.00 10.00 O ATOM 0 H GLU A 77 -2.452 17.751 -8.235 1.00 10.00 H new ATOM 0 HA GLU A 77 -4.341 18.904 -8.068 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -4.646 17.706 -10.808 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -5.973 18.617 -10.112 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -3.141 19.672 -10.429 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -4.446 19.977 -11.557 1.00 10.00 H new ATOM 1008 N MET A 78 -5.235 16.578 -6.915 1.00 10.00 N ATOM 1009 CA MET A 78 -6.155 15.727 -6.186 1.00 10.00 C ATOM 1010 C MET A 78 -7.045 16.578 -5.302 1.00 10.00 C ATOM 1011 O MET A 78 -6.557 17.358 -4.482 1.00 10.00 O ATOM 1012 CB MET A 78 -5.388 14.713 -5.339 1.00 10.00 C ATOM 1013 CG MET A 78 -4.351 13.930 -6.124 1.00 10.00 C ATOM 1014 SD MET A 78 -3.298 12.912 -5.075 1.00 10.00 S ATOM 1015 CE MET A 78 -4.479 11.703 -4.488 1.00 10.00 C ATOM 0 H MET A 78 -4.324 16.686 -6.470 1.00 10.00 H new ATOM 0 HA MET A 78 -6.773 15.182 -6.900 1.00 10.00 H new ATOM 0 HB2 MET A 78 -4.894 15.235 -4.520 1.00 10.00 H new ATOM 0 HB3 MET A 78 -6.096 14.016 -4.891 1.00 10.00 H new ATOM 0 HG2 MET A 78 -4.857 13.293 -6.849 1.00 10.00 H new ATOM 0 HG3 MET A 78 -3.729 14.625 -6.689 1.00 10.00 H new ATOM 0 HE1 MET A 78 -4.012 10.718 -4.468 1.00 10.00 H new ATOM 0 HE2 MET A 78 -4.805 11.971 -3.483 1.00 10.00 H new ATOM 0 HE3 MET A 78 -5.341 11.682 -5.155 1.00 10.00 H new ATOM 1025 N GLU A 79 -8.345 16.434 -5.474 1.00 10.00 N ATOM 1026 CA GLU A 79 -9.293 17.200 -4.694 1.00 10.00 C ATOM 1027 C GLU A 79 -9.740 16.406 -3.481 1.00 10.00 C ATOM 1028 O GLU A 79 -9.356 15.246 -3.312 1.00 10.00 O ATOM 1029 CB GLU A 79 -10.496 17.596 -5.547 1.00 10.00 C ATOM 1030 CG GLU A 79 -10.603 19.097 -5.762 1.00 10.00 C ATOM 1031 CD GLU A 79 -10.491 19.868 -4.463 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -11.441 19.816 -3.654 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -9.447 20.514 -4.236 1.00 10.00 O ATOM 0 H GLU A 79 -8.767 15.794 -6.147 1.00 10.00 H new ATOM 0 HA GLU A 79 -8.802 18.111 -4.352 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -10.427 17.100 -6.515 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -11.407 17.237 -5.069 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -9.818 19.422 -6.445 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -11.556 19.327 -6.239 1.00 10.00 H new ATOM 1040 N ASP A 80 -10.539 17.030 -2.633 1.00 10.00 N ATOM 1041 CA ASP A 80 -11.024 16.369 -1.436 1.00 10.00 C ATOM 1042 C ASP A 80 -11.970 15.235 -1.803 1.00 10.00 C ATOM 1043 O ASP A 80 -12.757 15.355 -2.746 1.00 10.00 O ATOM 1044 CB ASP A 80 -11.720 17.363 -0.510 1.00 10.00 C ATOM 1045 CG ASP A 80 -12.225 16.704 0.755 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -11.429 16.017 1.434 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -13.422 16.875 1.079 1.00 10.00 O ATOM 0 H ASP A 80 -10.864 17.990 -2.751 1.00 10.00 H new ATOM 0 HA ASP A 80 -10.167 15.952 -0.906 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -11.026 18.163 -0.250 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -12.555 17.825 -1.036 1.00 10.00 H new ATOM 1052 N GLU A 81 -11.865 14.136 -1.065 1.00 10.00 N ATOM 1053 CA GLU A 81 -12.691 12.951 -1.278 1.00 10.00 C ATOM 1054 C GLU A 81 -12.331 12.242 -2.586 1.00 10.00 C ATOM 1055 O GLU A 81 -13.164 11.553 -3.178 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.182 13.304 -1.241 1.00 10.00 C ATOM 1057 CG GLU A 81 -14.693 13.636 0.156 1.00 10.00 C ATOM 1058 CD GLU A 81 -16.204 13.581 0.253 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -16.785 14.348 1.048 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -16.820 12.765 -0.467 1.00 10.00 O ATOM 0 H GLU A 81 -11.201 14.040 -0.297 1.00 10.00 H new ATOM 0 HA GLU A 81 -12.486 12.260 -0.461 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.362 14.156 -1.897 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -14.756 12.467 -1.640 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -14.261 12.937 0.872 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -14.351 14.632 0.437 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.086 12.410 -3.029 1.00 10.00 N ATOM 1068 CA ASP A 82 -10.613 11.754 -4.248 1.00 10.00 C ATOM 1069 C ASP A 82 -10.298 10.292 -3.939 1.00 10.00 C ATOM 1070 O ASP A 82 -9.773 9.982 -2.867 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.371 12.456 -4.809 1.00 10.00 C ATOM 1072 CG ASP A 82 -9.493 12.771 -6.290 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -9.784 11.849 -7.080 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -9.301 13.951 -6.674 1.00 10.00 O ATOM 0 H ASP A 82 -10.389 12.992 -2.565 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.396 11.812 -5.004 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.202 13.381 -4.258 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -8.498 11.824 -4.647 1.00 10.00 H new ATOM 1079 N THR A 83 -10.613 9.402 -4.867 1.00 10.00 N ATOM 1080 CA THR A 83 -10.400 7.975 -4.662 1.00 10.00 C ATOM 1081 C THR A 83 -9.088 7.478 -5.274 1.00 10.00 C ATOM 1082 O THR A 83 -8.658 7.947 -6.330 1.00 10.00 O ATOM 1083 CB THR A 83 -11.578 7.169 -5.248 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.815 7.805 -4.904 1.00 10.00 O ATOM 1085 CG2 THR A 83 -11.583 5.738 -4.729 1.00 10.00 C ATOM 0 H THR A 83 -11.018 9.642 -5.772 1.00 10.00 H new ATOM 0 HA THR A 83 -10.339 7.820 -3.585 1.00 10.00 H new ATOM 0 HB THR A 83 -11.462 7.139 -6.331 1.00 10.00 H new ATOM 0 HG1 THR A 83 -13.562 7.292 -5.279 1.00 10.00 H new ATOM 0 HG21 THR A 83 -12.425 5.197 -5.161 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.652 5.245 -5.011 1.00 10.00 H new ATOM 0 HG23 THR A 83 -11.675 5.745 -3.643 1.00 10.00 H new ATOM 1093 N ILE A 84 -8.454 6.532 -4.585 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.208 5.934 -5.037 1.00 10.00 C ATOM 1095 C ILE A 84 -7.350 4.412 -5.045 1.00 10.00 C ATOM 1096 O ILE A 84 -7.836 3.828 -4.071 1.00 10.00 O ATOM 1097 CB ILE A 84 -6.021 6.333 -4.129 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.913 7.858 -4.021 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -4.721 5.743 -4.658 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.884 8.332 -3.016 1.00 10.00 C ATOM 0 H ILE A 84 -8.793 6.161 -3.697 1.00 10.00 H new ATOM 0 HA ILE A 84 -7.003 6.302 -6.042 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.202 5.930 -3.133 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.663 8.265 -5.001 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.887 8.263 -3.747 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -3.897 6.035 -4.006 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -4.798 4.656 -4.682 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -4.536 6.116 -5.665 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -4.868 9.422 -2.998 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -5.143 7.957 -2.026 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.900 7.959 -3.300 1.00 10.00 H new ATOM 1112 N ASP A 85 -6.944 3.776 -6.136 1.00 10.00 N ATOM 1113 CA ASP A 85 -7.044 2.323 -6.255 1.00 10.00 C ATOM 1114 C ASP A 85 -5.704 1.665 -5.963 1.00 10.00 C ATOM 1115 O ASP A 85 -4.658 2.148 -6.403 1.00 10.00 O ATOM 1116 CB ASP A 85 -7.510 1.932 -7.660 1.00 10.00 C ATOM 1117 CG ASP A 85 -8.510 0.789 -7.650 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -8.099 -0.381 -7.494 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -9.719 1.058 -7.818 1.00 10.00 O ATOM 0 H ASP A 85 -6.543 4.240 -6.951 1.00 10.00 H new ATOM 0 HA ASP A 85 -7.775 1.976 -5.525 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -7.961 2.799 -8.143 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -6.645 1.647 -8.259 1.00 10.00 H new ATOM 1124 N VAL A 86 -5.735 0.574 -5.212 1.00 10.00 N ATOM 1125 CA VAL A 86 -4.516 -0.145 -4.869 1.00 10.00 C ATOM 1126 C VAL A 86 -4.550 -1.563 -5.423 1.00 10.00 C ATOM 1127 O VAL A 86 -5.303 -2.413 -4.943 1.00 10.00 O ATOM 1128 CB VAL A 86 -4.291 -0.205 -3.343 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -2.927 -0.803 -3.025 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -4.424 1.175 -2.723 1.00 10.00 C ATOM 0 H VAL A 86 -6.589 0.168 -4.829 1.00 10.00 H new ATOM 0 HA VAL A 86 -3.690 0.406 -5.319 1.00 10.00 H new ATOM 0 HB VAL A 86 -5.059 -0.848 -2.912 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -2.787 -0.837 -1.944 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -2.869 -1.813 -3.430 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -2.147 -0.188 -3.473 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -4.261 1.108 -1.647 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -3.683 1.844 -3.161 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -5.423 1.565 -2.915 1.00 10.00 H new ATOM 1140 N PHE A 87 -3.737 -1.810 -6.436 1.00 10.00 N ATOM 1141 CA PHE A 87 -3.662 -3.126 -7.053 1.00 10.00 C ATOM 1142 C PHE A 87 -2.461 -3.887 -6.508 1.00 10.00 C ATOM 1143 O PHE A 87 -1.597 -3.305 -5.856 1.00 10.00 O ATOM 1144 CB PHE A 87 -3.553 -2.998 -8.576 1.00 10.00 C ATOM 1145 CG PHE A 87 -4.787 -2.440 -9.229 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -5.877 -3.257 -9.487 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -4.857 -1.102 -9.585 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -7.012 -2.750 -10.089 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -5.992 -0.589 -10.186 1.00 10.00 C ATOM 1150 CZ PHE A 87 -7.069 -1.415 -10.438 1.00 10.00 C ATOM 0 H PHE A 87 -3.117 -1.114 -6.851 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.572 -3.676 -6.814 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -2.705 -2.358 -8.817 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -3.342 -3.980 -8.999 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -5.838 -4.301 -9.214 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -4.016 -0.453 -9.391 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -7.854 -3.397 -10.287 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -6.036 0.455 -10.458 1.00 10.00 H new ATOM 0 HZ PHE A 87 -7.956 -1.017 -10.908 1.00 10.00 H new ATOM 1160 N GLN A 88 -2.408 -5.181 -6.769 1.00 10.00 N ATOM 1161 CA GLN A 88 -1.299 -5.996 -6.303 1.00 10.00 C ATOM 1162 C GLN A 88 -0.452 -6.457 -7.479 1.00 10.00 C ATOM 1163 O GLN A 88 -0.975 -6.731 -8.561 1.00 10.00 O ATOM 1164 CB GLN A 88 -1.803 -7.201 -5.504 1.00 10.00 C ATOM 1165 CG GLN A 88 -2.373 -6.831 -4.143 1.00 10.00 C ATOM 1166 CD GLN A 88 -2.672 -8.042 -3.281 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -2.031 -9.086 -3.407 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -3.647 -7.908 -2.396 1.00 10.00 N ATOM 0 H GLN A 88 -3.116 -5.689 -7.299 1.00 10.00 H new ATOM 0 HA GLN A 88 -0.682 -5.386 -5.643 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -2.570 -7.716 -6.083 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -0.982 -7.905 -5.366 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -1.666 -6.186 -3.622 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -3.288 -6.255 -4.282 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -4.153 -7.025 -2.324 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -3.892 -8.687 -1.786 1.00 10.00 H new ATOM 1177 N GLN A 89 0.855 -6.525 -7.267 1.00 10.00 N ATOM 1178 CA GLN A 89 1.779 -6.955 -8.305 1.00 10.00 C ATOM 1179 C GLN A 89 1.581 -8.435 -8.611 1.00 10.00 C ATOM 1180 O GLN A 89 1.517 -9.264 -7.702 1.00 10.00 O ATOM 1181 CB GLN A 89 3.233 -6.696 -7.882 1.00 10.00 C ATOM 1182 CG GLN A 89 4.255 -7.183 -8.900 1.00 10.00 C ATOM 1183 CD GLN A 89 4.177 -6.424 -10.210 1.00 10.00 C ATOM 1184 OE1 GLN A 89 4.104 -5.194 -10.226 1.00 10.00 O ATOM 1185 NE2 GLN A 89 4.173 -7.151 -11.316 1.00 10.00 N ATOM 0 H GLN A 89 1.300 -6.286 -6.381 1.00 10.00 H new ATOM 0 HA GLN A 89 1.572 -6.376 -9.205 1.00 10.00 H new ATOM 0 HB2 GLN A 89 3.372 -5.627 -7.722 1.00 10.00 H new ATOM 0 HB3 GLN A 89 3.419 -7.188 -6.927 1.00 10.00 H new ATOM 0 HG2 GLN A 89 5.257 -7.079 -8.483 1.00 10.00 H new ATOM 0 HG3 GLN A 89 4.097 -8.245 -9.089 1.00 10.00 H new ATOM 0 HE21 GLN A 89 4.235 -8.167 -11.258 1.00 10.00 H new ATOM 0 HE22 GLN A 89 4.108 -6.695 -12.226 1.00 10.00 H new ATOM 1194 N GLN A 90 1.460 -8.750 -9.891 1.00 10.00 N ATOM 1195 CA GLN A 90 1.275 -10.124 -10.329 1.00 10.00 C ATOM 1196 C GLN A 90 2.541 -10.929 -10.072 1.00 10.00 C ATOM 1197 O GLN A 90 3.649 -10.476 -10.378 1.00 10.00 O ATOM 1198 CB GLN A 90 0.916 -10.175 -11.817 1.00 10.00 C ATOM 1199 CG GLN A 90 -0.467 -9.626 -12.146 1.00 10.00 C ATOM 1200 CD GLN A 90 -0.551 -8.116 -12.021 1.00 10.00 C ATOM 1201 OE1 GLN A 90 0.442 -7.410 -12.196 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -1.732 -7.611 -11.713 1.00 10.00 N ATOM 0 H GLN A 90 1.487 -8.068 -10.649 1.00 10.00 H new ATOM 0 HA GLN A 90 0.453 -10.558 -9.760 1.00 10.00 H new ATOM 0 HB2 GLN A 90 1.661 -9.611 -12.378 1.00 10.00 H new ATOM 0 HB3 GLN A 90 0.975 -11.209 -12.158 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -0.735 -9.916 -13.162 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -1.200 -10.081 -11.481 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -2.531 -8.230 -11.576 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -1.845 -6.602 -11.612 1.00 10.00 H new ATOM 1211 N THR A 91 2.372 -12.113 -9.509 1.00 10.00 N ATOM 1212 CA THR A 91 3.497 -12.982 -9.201 1.00 10.00 C ATOM 1213 C THR A 91 4.055 -13.619 -10.473 1.00 10.00 C ATOM 1214 O THR A 91 5.268 -13.787 -10.621 1.00 10.00 O ATOM 1215 CB THR A 91 3.076 -14.084 -8.213 1.00 10.00 C ATOM 1216 OG1 THR A 91 1.827 -13.731 -7.593 1.00 10.00 O ATOM 1217 CG2 THR A 91 4.138 -14.280 -7.142 1.00 10.00 C ATOM 0 H THR A 91 1.462 -12.497 -9.254 1.00 10.00 H new ATOM 0 HA THR A 91 4.275 -12.371 -8.742 1.00 10.00 H new ATOM 0 HB THR A 91 2.960 -15.017 -8.765 1.00 10.00 H new ATOM 0 HG1 THR A 91 1.562 -14.436 -6.966 1.00 10.00 H new ATOM 0 HG21 THR A 91 3.821 -15.063 -6.454 1.00 10.00 H new ATOM 0 HG22 THR A 91 5.079 -14.568 -7.611 1.00 10.00 H new ATOM 0 HG23 THR A 91 4.277 -13.349 -6.593 1.00 10.00 H new ATOM 1225 N GLY A 92 3.160 -13.952 -11.389 1.00 10.00 N ATOM 1226 CA GLY A 92 3.558 -14.561 -12.638 1.00 10.00 C ATOM 1227 C GLY A 92 2.489 -15.489 -13.164 1.00 10.00 C ATOM 1228 O GLY A 92 1.305 -15.292 -12.811 1.00 10.00 O ATOM 0 H GLY A 92 2.155 -13.809 -11.287 1.00 10.00 H new ATOM 0 HA2 GLY A 92 3.762 -13.784 -13.375 1.00 10.00 H new ATOM 0 HA3 GLY A 92 4.485 -15.116 -12.495 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASN B 357 -19.220 -3.428 6.374 1.00 10.00 N ATOM 1234 CA ASN B 357 -18.358 -2.252 6.141 1.00 10.00 C ATOM 1235 C ASN B 357 -17.092 -2.355 6.962 1.00 10.00 C ATOM 1236 O ASN B 357 -17.143 -2.455 8.189 1.00 10.00 O ATOM 1237 CB ASN B 357 -19.088 -0.951 6.502 1.00 10.00 C ATOM 1238 CG ASN B 357 -18.258 0.284 6.171 1.00 10.00 C ATOM 1239 OD1 ASN B 357 -17.515 0.300 5.187 1.00 10.00 O ATOM 1240 ND2 ASN B 357 -18.366 1.319 6.993 1.00 10.00 N ATOM 0 HA ASN B 357 -18.106 -2.233 5.081 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -20.035 -0.906 5.964 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -19.326 -0.953 7.566 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -17.824 2.166 6.821 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -18.991 1.269 7.797 1.00 10.00 H new ATOM 1247 N ASN B 358 -15.955 -2.300 6.292 1.00 10.00 N ATOM 1248 CA ASN B 358 -14.686 -2.364 6.980 1.00 10.00 C ATOM 1249 C ASN B 358 -13.960 -1.052 6.763 1.00 10.00 C ATOM 1250 O ASN B 358 -13.692 -0.650 5.630 1.00 10.00 O ATOM 1251 CB ASN B 358 -13.846 -3.536 6.443 1.00 10.00 C ATOM 1252 CG ASN B 358 -12.508 -3.676 7.142 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -12.406 -3.470 8.358 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -11.474 -4.039 6.390 1.00 10.00 N ATOM 0 H ASN B 358 -15.888 -2.212 5.278 1.00 10.00 H new ATOM 0 HA ASN B 358 -14.848 -2.527 8.045 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -14.409 -4.462 6.559 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -13.679 -3.396 5.375 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -10.553 -4.158 6.812 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -11.601 -4.199 5.391 1.00 10.00 H new ATOM 1261 N ARG B 359 -13.646 -0.387 7.852 1.00 10.00 N ATOM 1262 CA ARG B 359 -12.963 0.884 7.786 1.00 10.00 C ATOM 1263 C ARG B 359 -11.686 0.849 8.598 1.00 10.00 C ATOM 1264 O ARG B 359 -11.670 0.403 9.748 1.00 10.00 O ATOM 1265 CB ARG B 359 -13.870 2.036 8.242 1.00 10.00 C ATOM 1266 CG ARG B 359 -14.406 1.893 9.651 1.00 10.00 C ATOM 1267 CD ARG B 359 -15.176 3.136 10.065 1.00 10.00 C ATOM 1268 NE ARG B 359 -15.782 2.997 11.385 1.00 10.00 N ATOM 1269 CZ ARG B 359 -16.599 3.898 11.922 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -16.896 5.013 11.261 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -17.119 3.688 13.122 1.00 10.00 N ATOM 0 H ARG B 359 -13.854 -0.708 8.798 1.00 10.00 H new ATOM 0 HA ARG B 359 -12.702 1.065 6.743 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -13.313 2.970 8.172 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -14.711 2.114 7.553 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -15.056 1.020 9.710 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -13.581 1.724 10.343 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -14.504 3.994 10.065 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -15.954 3.340 9.330 1.00 10.00 H new ATOM 0 HE ARG B 359 -15.566 2.160 11.927 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -16.496 5.180 10.338 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -17.523 5.701 11.677 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -16.893 2.835 13.634 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -17.746 4.379 13.534 1.00 10.00 H new ATOM 1285 N ASP B 360 -10.624 1.301 7.981 1.00 10.00 N ATOM 1286 CA ASP B 360 -9.331 1.374 8.628 1.00 10.00 C ATOM 1287 C ASP B 360 -8.923 2.838 8.644 1.00 10.00 C ATOM 1288 O ASP B 360 -9.038 3.519 7.632 1.00 10.00 O ATOM 1289 CB ASP B 360 -8.292 0.512 7.900 1.00 10.00 C ATOM 1290 CG ASP B 360 -7.111 0.141 8.783 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -6.295 1.025 9.109 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -6.996 -1.049 9.152 1.00 10.00 O ATOM 0 H ASP B 360 -10.627 1.630 7.015 1.00 10.00 H new ATOM 0 HA ASP B 360 -9.390 0.983 9.644 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -8.770 -0.399 7.540 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -7.930 1.050 7.024 1.00 10.00 H new ATOM 1297 N PRO B 361 -8.462 3.376 9.769 1.00 10.00 N ATOM 1298 CA PRO B 361 -8.113 4.774 9.842 1.00 10.00 C ATOM 1299 C PRO B 361 -6.612 5.009 9.902 1.00 10.00 C ATOM 1300 O PRO B 361 -5.894 4.444 10.730 1.00 10.00 O ATOM 1301 CB PRO B 361 -8.759 5.155 11.173 1.00 10.00 C ATOM 1302 CG PRO B 361 -8.716 3.898 12.008 1.00 10.00 C ATOM 1303 CD PRO B 361 -8.361 2.748 11.084 1.00 10.00 C ATOM 0 HA PRO B 361 -8.439 5.345 8.973 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -8.216 5.967 11.656 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -9.784 5.498 11.030 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -7.978 3.992 12.804 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -9.680 3.722 12.486 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -7.360 2.363 11.277 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -9.050 1.910 11.191 1.00 10.00 H new ATOM 1311 N ILE B 362 -6.153 5.860 9.001 1.00 10.00 N ATOM 1312 CA ILE B 362 -4.749 6.184 8.898 1.00 10.00 C ATOM 1313 C ILE B 362 -4.528 7.675 9.097 1.00 10.00 C ATOM 1314 O ILE B 362 -5.202 8.507 8.495 1.00 10.00 O ATOM 1315 CB ILE B 362 -4.147 5.746 7.538 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -4.543 4.295 7.222 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -2.628 5.892 7.561 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -3.892 3.720 5.978 1.00 10.00 C ATOM 0 H ILE B 362 -6.744 6.342 8.324 1.00 10.00 H new ATOM 0 HA ILE B 362 -4.237 5.631 9.686 1.00 10.00 H new ATOM 0 HB ILE B 362 -4.545 6.391 6.755 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -4.284 3.668 8.075 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -5.626 4.245 7.106 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -2.218 5.581 6.600 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -2.365 6.933 7.748 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -2.214 5.266 8.352 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -4.229 2.694 5.833 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -4.171 4.319 5.111 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -2.808 3.733 6.095 1.00 10.00 H new ATOM 1330 N VAL B 363 -3.577 7.994 9.936 1.00 10.00 N ATOM 1331 CA VAL B 363 -3.240 9.364 10.234 1.00 10.00 C ATOM 1332 C VAL B 363 -1.845 9.597 9.727 1.00 10.00 C ATOM 1333 O VAL B 363 -0.950 8.780 9.926 1.00 10.00 O ATOM 1334 CB VAL B 363 -3.328 9.683 11.746 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -3.068 11.163 12.015 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -4.684 9.269 12.294 1.00 10.00 C ATOM 0 H VAL B 363 -3.011 7.308 10.435 1.00 10.00 H new ATOM 0 HA VAL B 363 -3.957 10.026 9.748 1.00 10.00 H new ATOM 0 HB VAL B 363 -2.554 9.111 12.258 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -3.137 11.356 13.086 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -2.071 11.427 11.662 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -3.810 11.764 11.490 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -4.732 9.499 13.358 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -5.470 9.813 11.769 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -4.824 8.198 12.148 1.00 10.00 H new ATOM 1346 N ILE B 364 -1.674 10.712 9.079 1.00 10.00 N ATOM 1347 CA ILE B 364 -0.423 11.052 8.467 1.00 10.00 C ATOM 1348 C ILE B 364 0.224 12.174 9.229 1.00 10.00 C ATOM 1349 O ILE B 364 -0.446 13.048 9.779 1.00 10.00 O ATOM 1350 CB ILE B 364 -0.575 11.423 6.972 1.00 10.00 C ATOM 1351 CG1 ILE B 364 0.571 10.814 6.164 1.00 10.00 C ATOM 1352 CG2 ILE B 364 -0.602 12.930 6.768 1.00 10.00 C ATOM 1353 CD1 ILE B 364 0.494 9.310 6.037 1.00 10.00 C ATOM 0 H ILE B 364 -2.403 11.415 8.960 1.00 10.00 H new ATOM 0 HA ILE B 364 0.214 10.168 8.505 1.00 10.00 H new ATOM 0 HB ILE B 364 -1.526 11.019 6.625 1.00 10.00 H new ATOM 0 HG12 ILE B 364 0.574 11.254 5.167 1.00 10.00 H new ATOM 0 HG13 ILE B 364 1.517 11.082 6.634 1.00 10.00 H new ATOM 0 HG21 ILE B 364 -0.710 13.152 5.706 1.00 10.00 H new ATOM 0 HG22 ILE B 364 -1.443 13.356 7.315 1.00 10.00 H new ATOM 0 HG23 ILE B 364 0.328 13.364 7.137 1.00 10.00 H new ATOM 0 HD11 ILE B 364 1.340 8.951 5.451 1.00 10.00 H new ATOM 0 HD12 ILE B 364 0.522 8.859 7.029 1.00 10.00 H new ATOM 0 HD13 ILE B 364 -0.436 9.034 5.539 1.00 10.00 H new HETATM 1365 N SEP B 365 1.525 12.099 9.299 1.00 10.00 N HETATM 1366 CA SEP B 365 2.300 13.056 10.025 1.00 10.00 C HETATM 1367 CB SEP B 365 3.356 12.288 10.809 1.00 10.00 C HETATM 1368 OG SEP B 365 3.761 11.148 10.051 1.00 10.00 O HETATM 1369 C SEP B 365 2.952 13.965 9.011 1.00 10.00 C HETATM 1370 O SEP B 365 3.575 13.510 8.051 1.00 10.00 O HETATM 1371 P SEP B 365 4.931 10.186 10.553 1.00 10.00 P HETATM 1372 O1P SEP B 365 5.132 9.006 9.691 1.00 10.00 O HETATM 1373 O2P SEP B 365 4.878 9.866 11.987 1.00 10.00 O HETATM 1374 O3P SEP B 365 6.267 11.041 10.367 1.00 10.00 O HETATM 0 HB3 SEP B 365 4.214 12.929 11.012 1.00 10.00 H new HETATM 0 HB2 SEP B 365 2.956 11.976 11.774 1.00 10.00 H new HETATM 0 HA SEP B 365 1.696 13.648 10.713 1.00 10.00 H new HETATM 0 H SEP B 365 1.740 11.105 9.376 1.00 10.00 H new ATOM 1379 N ASP B 366 2.776 15.252 9.221 1.00 10.00 N ATOM 1380 CA ASP B 366 3.285 16.244 8.306 1.00 10.00 C ATOM 1381 C ASP B 366 4.317 17.109 8.991 1.00 10.00 C ATOM 1382 O ASP B 366 4.068 17.688 10.053 1.00 10.00 O ATOM 1383 CB ASP B 366 2.111 17.092 7.816 1.00 10.00 C ATOM 1384 CG ASP B 366 2.484 18.040 6.706 1.00 10.00 C ATOM 1385 OD1 ASP B 366 2.217 19.254 6.850 1.00 10.00 O ATOM 1386 OD2 ASP B 366 3.018 17.575 5.676 1.00 10.00 O ATOM 0 H ASP B 366 2.280 15.635 10.025 1.00 10.00 H new ATOM 0 HA ASP B 366 3.769 15.759 7.458 1.00 10.00 H new ATOM 0 HB2 ASP B 366 1.315 16.433 7.469 1.00 10.00 H new ATOM 0 HB3 ASP B 366 1.710 17.663 8.653 1.00 10.00 H new HETATM 1391 N SEP B 367 5.475 17.186 8.378 1.00 10.00 N HETATM 1392 CA SEP B 367 6.569 17.956 8.909 1.00 10.00 C HETATM 1393 CB SEP B 367 7.869 17.367 8.374 1.00 10.00 C HETATM 1394 OG SEP B 367 7.950 15.974 8.680 1.00 10.00 O HETATM 1395 C SEP B 367 6.435 19.432 8.541 1.00 10.00 C HETATM 1396 O SEP B 367 6.253 19.777 7.371 1.00 10.00 O HETATM 1397 P SEP B 367 7.955 14.885 7.505 1.00 10.00 P HETATM 1398 O1P SEP B 367 8.876 15.194 6.402 1.00 10.00 O HETATM 1399 O2P SEP B 367 8.052 13.487 7.972 1.00 10.00 O HETATM 1400 O3P SEP B 367 6.503 14.975 6.846 1.00 10.00 O HETATM 0 HB3 SEP B 367 7.924 17.512 7.295 1.00 10.00 H new HETATM 0 HB2 SEP B 367 8.719 17.891 8.810 1.00 10.00 H new HETATM 0 HA SEP B 367 6.563 17.905 9.998 1.00 10.00 H new HETATM 0 H SEP B 367 5.660 16.399 7.756 1.00 10.00 H new ATOM 1405 N PRO B 368 6.488 20.329 9.540 1.00 10.00 N ATOM 1406 CA PRO B 368 6.382 21.773 9.312 1.00 10.00 C ATOM 1407 C PRO B 368 7.614 22.320 8.610 1.00 10.00 C ATOM 1408 O PRO B 368 8.735 22.057 9.091 1.00 10.00 O ATOM 1409 CB PRO B 368 6.262 22.362 10.725 1.00 10.00 C ATOM 1410 CG PRO B 368 5.978 21.201 11.614 1.00 10.00 C ATOM 1411 CD PRO B 368 6.639 20.024 10.970 1.00 10.00 C ATOM 0 HA PRO B 368 5.539 22.026 8.669 1.00 10.00 H new ATOM 0 HB2 PRO B 368 7.182 22.867 11.020 1.00 10.00 H new ATOM 0 HB3 PRO B 368 5.462 23.101 10.776 1.00 10.00 H new ATOM 0 HG2 PRO B 368 6.371 21.370 12.616 1.00 10.00 H new ATOM 0 HG3 PRO B 368 4.905 21.040 11.716 1.00 10.00 H new ATOM 0 HD2 PRO B 368 7.686 19.936 11.259 1.00 10.00 H new ATOM 0 HD3 PRO B 368 6.154 19.086 11.240 1.00 10.00 H new TER 1419 PRO B 368