USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 817 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 67 HIS : no HE2:sc= 0.365 K(o=-0.92,f=-13!) USER MOD Set 1.2: A 80 MET CE :methyl 176:sc= -1.29 (180deg=-1.46) USER MOD Set 2.1: A 63 ASN : amide:sc= 1.56 K(o=-6.9,f=-11!) USER MOD Set 2.2: A 74 TYR OH : rot -16:sc= -8.43! USER MOD Set 3.1: A 40 SER OG : rot -56:sc= 2.01 USER MOD Set 3.2: A 52 ASN :FLIP amide:sc= -0.257! F(o=-1.5,f=2.4!) USER MOD Set 3.3: A 56 ASN :FLIP amide:sc= 0.675 F(o=-9.1!,f=2.4) USER MOD Set 4.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 46 TYR OH : rot 67:sc= 0.331 USER MOD Set 5.2: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 19 THR OG1 : rot -103:sc= 1.28 USER MOD Set 6.2: A 31 ASN :FLIP amide:sc= -0.91 F(o=-2.4!,f=0.37) USER MOD Set 7.1: A 14 CYS SG : rot -97:sc= -3.35! USER MOD Set 7.2: A 18 HIS : no HD1:sc= -4.07! C(o=-7.4!,f=-9!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -170:sc= -0.533 (180deg=-0.846) USER MOD Single : A 5 LYS NZ :NH3+ -172:sc= 0.00582 (180deg=0.00385) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= -0.0448 (180deg=-0.681) USER MOD Single : A 12 THR OG1 : rot -24:sc=0.000554 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= -0.034 (180deg=-0.591) USER MOD Single : A 26 HIS : no HD1:sc= -2.86! X(o=-2.9!,f=-2.9) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 39 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-2.1!) USER MOD Single : A 42 GLN :FLIP amide:sc= -2.52! C(o=-9.8!,f=-2.5!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -4.61! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.0763 F(o=-1.2!,f=-0.076) USER MOD Single : A 64 MET CE :methyl -153:sc= -1.69 (180deg=-2.78) USER MOD Single : A 65 SER OG : rot 81:sc= -1.15! USER MOD Single : A 69 THR OG1 : rot 73:sc= 0.938 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -2.26 K(o=-2.3,f=-3.9!) USER MOD Single : A 96 THR OG1 : rot 81:sc= 0.319 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -155:sc= -3.17! (180deg=-5.87!) USER MOD Single : A 100 LYS NZ :NH3+ 174:sc= -1.2 (180deg=-1.23) USER MOD ----------------------------------------------------------------- ATOM 32 N PHE A -3 -13.945 -7.515 1.884 1.00 0.00 N ATOM 33 CA PHE A -3 -13.152 -6.598 2.751 1.00 0.00 C ATOM 34 C PHE A -3 -13.573 -6.785 4.209 1.00 0.00 C ATOM 35 O PHE A -3 -14.741 -6.742 4.539 1.00 0.00 O ATOM 36 CB PHE A -3 -13.411 -5.149 2.328 1.00 0.00 C ATOM 37 CG PHE A -3 -12.543 -4.221 3.143 1.00 0.00 C ATOM 38 CD1 PHE A -3 -11.220 -3.975 2.757 1.00 0.00 C ATOM 39 CD2 PHE A -3 -13.065 -3.598 4.286 1.00 0.00 C ATOM 40 CE1 PHE A -3 -10.419 -3.108 3.510 1.00 0.00 C ATOM 41 CE2 PHE A -3 -12.263 -2.734 5.039 1.00 0.00 C ATOM 42 CZ PHE A -3 -10.940 -2.488 4.652 1.00 0.00 C ATOM 0 H1 PHE A -3 -13.659 -7.388 0.892 1.00 0.00 H new ATOM 0 H2 PHE A -3 -13.773 -8.500 2.171 1.00 0.00 H new ATOM 0 H3 PHE A -3 -14.957 -7.298 1.983 1.00 0.00 H new ATOM 0 HA PHE A -3 -12.091 -6.825 2.647 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -13.196 -5.025 1.266 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -14.462 -4.900 2.472 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -10.817 -4.455 1.877 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -14.086 -3.785 4.585 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -9.399 -2.918 3.210 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -12.665 -2.256 5.920 1.00 0.00 H new ATOM 0 HZ PHE A -3 -10.322 -1.820 5.234 1.00 0.00 H new ATOM 52 N LYS A -2 -12.630 -6.990 5.087 1.00 0.00 N ATOM 53 CA LYS A -2 -12.978 -7.178 6.523 1.00 0.00 C ATOM 54 C LYS A -2 -12.806 -5.849 7.259 1.00 0.00 C ATOM 55 O LYS A -2 -11.897 -5.090 6.985 1.00 0.00 O ATOM 56 CB LYS A -2 -12.045 -8.223 7.142 1.00 0.00 C ATOM 57 CG LYS A -2 -12.048 -9.498 6.292 1.00 0.00 C ATOM 58 CD LYS A -2 -13.436 -10.144 6.318 1.00 0.00 C ATOM 59 CE LYS A -2 -13.349 -11.564 5.758 1.00 0.00 C ATOM 60 NZ LYS A -2 -14.611 -12.295 6.058 1.00 0.00 N ATOM 0 H LYS A -2 -11.634 -7.035 4.872 1.00 0.00 H new ATOM 0 HA LYS A -2 -14.011 -7.517 6.608 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -11.033 -7.824 7.210 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -12.366 -8.453 8.158 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -11.768 -9.261 5.266 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -11.305 -10.199 6.671 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -13.819 -10.167 7.338 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -14.136 -9.551 5.728 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -13.182 -11.532 4.681 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -12.500 -12.088 6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -14.552 -13.261 5.677 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -14.752 -12.337 7.088 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -15.413 -11.798 5.619 1.00 0.00 H new ATOM 74 N ALA A -1 -13.667 -5.561 8.194 1.00 0.00 N ATOM 75 CA ALA A -1 -13.547 -4.282 8.946 1.00 0.00 C ATOM 76 C ALA A -1 -12.201 -4.250 9.673 1.00 0.00 C ATOM 77 O ALA A -1 -11.765 -5.237 10.231 1.00 0.00 O ATOM 78 CB ALA A -1 -14.681 -4.181 9.968 1.00 0.00 C ATOM 0 H ALA A -1 -14.448 -6.156 8.470 1.00 0.00 H new ATOM 0 HA ALA A -1 -13.610 -3.443 8.253 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -14.593 -3.244 10.518 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -15.640 -4.209 9.451 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -14.619 -5.018 10.664 1.00 0.00 H new ATOM 84 N GLY A 1 -11.540 -3.124 9.671 1.00 0.00 N ATOM 85 CA GLY A 1 -10.222 -3.034 10.362 1.00 0.00 C ATOM 86 C GLY A 1 -10.301 -3.760 11.706 1.00 0.00 C ATOM 87 O GLY A 1 -10.880 -3.269 12.654 1.00 0.00 O ATOM 0 H GLY A 1 -11.855 -2.264 9.222 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.443 -3.478 9.742 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.950 -1.990 10.516 1.00 0.00 H new ATOM 91 N SER A 2 -9.728 -4.929 11.793 1.00 0.00 N ATOM 92 CA SER A 2 -9.776 -5.687 13.076 1.00 0.00 C ATOM 93 C SER A 2 -9.181 -4.834 14.198 1.00 0.00 C ATOM 94 O SER A 2 -9.635 -4.873 15.324 1.00 0.00 O ATOM 95 CB SER A 2 -8.971 -6.978 12.935 1.00 0.00 C ATOM 96 OG SER A 2 -9.447 -7.709 11.812 1.00 0.00 O ATOM 0 H SER A 2 -9.229 -5.392 11.033 1.00 0.00 H new ATOM 0 HA SER A 2 -10.812 -5.928 13.316 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.913 -6.748 12.812 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.064 -7.578 13.840 1.00 0.00 H new ATOM 0 HG SER A 2 -8.931 -8.537 11.718 1.00 0.00 H new ATOM 102 N ALA A 3 -8.169 -4.063 13.903 1.00 0.00 N ATOM 103 CA ALA A 3 -7.556 -3.213 14.962 1.00 0.00 C ATOM 104 C ALA A 3 -6.305 -2.524 14.412 1.00 0.00 C ATOM 105 O ALA A 3 -6.078 -2.484 13.219 1.00 0.00 O ATOM 106 CB ALA A 3 -7.175 -4.090 16.157 1.00 0.00 C ATOM 0 H ALA A 3 -7.743 -3.986 12.980 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.272 -2.455 15.278 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.726 -3.471 16.934 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.068 -4.576 16.551 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.460 -4.848 15.838 1.00 0.00 H new ATOM 112 N LYS A 4 -5.497 -1.975 15.276 1.00 0.00 N ATOM 113 CA LYS A 4 -4.263 -1.280 14.812 1.00 0.00 C ATOM 114 C LYS A 4 -3.141 -2.301 14.611 1.00 0.00 C ATOM 115 O LYS A 4 -2.014 -1.946 14.325 1.00 0.00 O ATOM 116 CB LYS A 4 -3.833 -0.251 15.860 1.00 0.00 C ATOM 117 CG LYS A 4 -4.916 0.822 15.996 1.00 0.00 C ATOM 118 CD LYS A 4 -4.434 1.915 16.952 1.00 0.00 C ATOM 119 CE LYS A 4 -5.561 2.923 17.182 1.00 0.00 C ATOM 120 NZ LYS A 4 -6.493 2.903 16.019 1.00 0.00 N ATOM 0 H LYS A 4 -5.638 -1.978 16.286 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.466 -0.776 13.867 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.669 -0.741 16.820 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.887 0.206 15.569 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.142 1.251 15.020 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -5.838 0.378 16.370 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.127 1.474 17.900 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.561 2.418 16.536 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.100 2.679 18.097 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.147 3.923 17.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.158 3.699 16.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.949 2.988 15.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.023 2.008 16.014 1.00 0.00 H new ATOM 134 N LYS A 5 -3.434 -3.564 14.754 1.00 0.00 N ATOM 135 CA LYS A 5 -2.370 -4.589 14.564 1.00 0.00 C ATOM 136 C LYS A 5 -1.731 -4.385 13.190 1.00 0.00 C ATOM 137 O LYS A 5 -0.526 -4.426 13.043 1.00 0.00 O ATOM 138 CB LYS A 5 -2.984 -5.989 14.642 1.00 0.00 C ATOM 139 CG LYS A 5 -1.873 -7.039 14.579 1.00 0.00 C ATOM 140 CD LYS A 5 -2.490 -8.438 14.594 1.00 0.00 C ATOM 141 CE LYS A 5 -1.380 -9.486 14.693 1.00 0.00 C ATOM 142 NZ LYS A 5 -1.982 -10.849 14.699 1.00 0.00 N ATOM 0 H LYS A 5 -4.356 -3.929 14.992 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.615 -4.488 15.344 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.550 -6.098 15.567 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.685 -6.136 13.820 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.279 -6.902 13.675 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.197 -6.919 15.426 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.173 -8.536 15.437 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.076 -8.598 13.689 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.693 -9.384 13.853 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.798 -9.330 15.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.244 -11.553 14.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.720 -10.900 15.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.403 -11.047 13.769 1.00 0.00 H new ATOM 156 N GLY A 6 -2.530 -4.148 12.185 1.00 0.00 N ATOM 157 CA GLY A 6 -1.966 -3.920 10.828 1.00 0.00 C ATOM 158 C GLY A 6 -1.060 -2.689 10.866 1.00 0.00 C ATOM 159 O GLY A 6 -0.120 -2.572 10.106 1.00 0.00 O ATOM 0 H GLY A 6 -3.547 -4.103 12.247 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.401 -4.794 10.504 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.769 -3.774 10.106 1.00 0.00 H new ATOM 163 N ALA A 7 -1.343 -1.766 11.747 1.00 0.00 N ATOM 164 CA ALA A 7 -0.505 -0.538 11.836 1.00 0.00 C ATOM 165 C ALA A 7 0.940 -0.923 12.149 1.00 0.00 C ATOM 166 O ALA A 7 1.868 -0.441 11.531 1.00 0.00 O ATOM 167 CB ALA A 7 -1.041 0.366 12.947 1.00 0.00 C ATOM 0 H ALA A 7 -2.119 -1.811 12.408 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.541 -0.008 10.884 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.428 1.265 13.012 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.071 0.645 12.724 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.007 -0.166 13.898 1.00 0.00 H new ATOM 173 N THR A 8 1.142 -1.792 13.099 1.00 0.00 N ATOM 174 CA THR A 8 2.526 -2.206 13.433 1.00 0.00 C ATOM 175 C THR A 8 3.154 -2.853 12.201 1.00 0.00 C ATOM 176 O THR A 8 4.299 -2.611 11.875 1.00 0.00 O ATOM 177 CB THR A 8 2.490 -3.212 14.582 1.00 0.00 C ATOM 178 OG1 THR A 8 1.705 -2.687 15.644 1.00 0.00 O ATOM 179 CG2 THR A 8 3.908 -3.467 15.075 1.00 0.00 C ATOM 0 H THR A 8 0.408 -2.231 13.656 1.00 0.00 H new ATOM 0 HA THR A 8 3.115 -1.340 13.735 1.00 0.00 H new ATOM 0 HB THR A 8 2.052 -4.148 14.235 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.679 -3.332 16.382 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.885 -4.185 15.895 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.510 -3.867 14.259 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.346 -2.532 15.424 1.00 0.00 H new ATOM 187 N LEU A 9 2.405 -3.662 11.500 1.00 0.00 N ATOM 188 CA LEU A 9 2.955 -4.304 10.278 1.00 0.00 C ATOM 189 C LEU A 9 3.441 -3.197 9.346 1.00 0.00 C ATOM 190 O LEU A 9 4.493 -3.286 8.745 1.00 0.00 O ATOM 191 CB LEU A 9 1.857 -5.112 9.586 1.00 0.00 C ATOM 192 CG LEU A 9 2.450 -5.867 8.392 1.00 0.00 C ATOM 193 CD1 LEU A 9 2.695 -7.325 8.784 1.00 0.00 C ATOM 194 CD2 LEU A 9 1.478 -5.814 7.212 1.00 0.00 C ATOM 0 H LEU A 9 1.439 -3.904 11.722 1.00 0.00 H new ATOM 0 HA LEU A 9 3.776 -4.974 10.535 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.411 -5.816 10.289 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.060 -4.449 9.250 1.00 0.00 H new ATOM 0 HG LEU A 9 3.392 -5.402 8.103 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.117 -7.864 7.936 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.391 -7.364 9.622 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.752 -7.787 9.074 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.904 -6.352 6.365 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.533 -6.276 7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.303 -4.775 6.931 1.00 0.00 H new ATOM 206 N PHE A 10 2.681 -2.143 9.246 1.00 0.00 N ATOM 207 CA PHE A 10 3.086 -1.005 8.383 1.00 0.00 C ATOM 208 C PHE A 10 4.398 -0.441 8.922 1.00 0.00 C ATOM 209 O PHE A 10 5.343 -0.207 8.193 1.00 0.00 O ATOM 210 CB PHE A 10 1.995 0.069 8.447 1.00 0.00 C ATOM 211 CG PHE A 10 2.289 1.169 7.456 1.00 0.00 C ATOM 212 CD1 PHE A 10 1.929 1.017 6.112 1.00 0.00 C ATOM 213 CD2 PHE A 10 2.915 2.343 7.885 1.00 0.00 C ATOM 214 CE1 PHE A 10 2.200 2.040 5.197 1.00 0.00 C ATOM 215 CE2 PHE A 10 3.185 3.363 6.968 1.00 0.00 C ATOM 216 CZ PHE A 10 2.829 3.213 5.626 1.00 0.00 C ATOM 0 H PHE A 10 1.791 -2.023 9.729 1.00 0.00 H new ATOM 0 HA PHE A 10 3.219 -1.327 7.350 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.024 -0.375 8.231 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.939 0.482 9.454 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.443 0.111 5.782 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.189 2.462 8.923 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.923 1.924 4.159 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.670 4.270 7.298 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.039 4.003 4.920 1.00 0.00 H new ATOM 226 N LYS A 11 4.456 -0.234 10.209 1.00 0.00 N ATOM 227 CA LYS A 11 5.693 0.301 10.838 1.00 0.00 C ATOM 228 C LYS A 11 6.833 -0.706 10.672 1.00 0.00 C ATOM 229 O LYS A 11 7.978 -0.345 10.490 1.00 0.00 O ATOM 230 CB LYS A 11 5.437 0.518 12.332 1.00 0.00 C ATOM 231 CG LYS A 11 6.582 1.333 12.935 1.00 0.00 C ATOM 232 CD LYS A 11 6.355 1.495 14.439 1.00 0.00 C ATOM 233 CE LYS A 11 7.397 2.458 15.011 1.00 0.00 C ATOM 234 NZ LYS A 11 8.763 1.986 14.645 1.00 0.00 N ATOM 0 H LYS A 11 3.690 -0.415 10.857 1.00 0.00 H new ATOM 0 HA LYS A 11 5.966 1.242 10.361 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.491 1.039 12.477 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.354 -0.443 12.840 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.534 0.834 12.752 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.637 2.311 12.457 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.351 1.875 14.627 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.428 0.527 14.935 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.231 3.463 14.622 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.299 2.515 16.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.464 2.439 15.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.816 0.954 14.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.963 2.236 13.655 1.00 0.00 H new ATOM 248 N THR A 12 6.525 -1.970 10.765 1.00 0.00 N ATOM 249 CA THR A 12 7.579 -3.017 10.650 1.00 0.00 C ATOM 250 C THR A 12 8.181 -3.050 9.242 1.00 0.00 C ATOM 251 O THR A 12 9.366 -3.265 9.080 1.00 0.00 O ATOM 252 CB THR A 12 6.964 -4.382 10.969 1.00 0.00 C ATOM 253 OG1 THR A 12 6.000 -4.708 9.979 1.00 0.00 O ATOM 254 CG2 THR A 12 6.293 -4.333 12.343 1.00 0.00 C ATOM 0 H THR A 12 5.581 -2.325 10.917 1.00 0.00 H new ATOM 0 HA THR A 12 8.376 -2.783 11.355 1.00 0.00 H new ATOM 0 HB THR A 12 7.746 -5.141 10.977 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.666 -3.885 9.564 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.855 -5.305 12.569 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.035 -4.084 13.102 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.510 -3.575 12.339 1.00 0.00 H new ATOM 262 N ARG A 13 7.394 -2.860 8.216 1.00 0.00 N ATOM 263 CA ARG A 13 7.967 -2.909 6.840 1.00 0.00 C ATOM 264 C ARG A 13 7.131 -2.069 5.870 1.00 0.00 C ATOM 265 O ARG A 13 6.585 -2.578 4.911 1.00 0.00 O ATOM 266 CB ARG A 13 7.997 -4.359 6.344 1.00 0.00 C ATOM 267 CG ARG A 13 8.997 -5.172 7.172 1.00 0.00 C ATOM 268 CD ARG A 13 9.180 -6.552 6.536 1.00 0.00 C ATOM 269 NE ARG A 13 10.009 -7.405 7.434 1.00 0.00 N ATOM 270 CZ ARG A 13 9.518 -7.833 8.565 1.00 0.00 C ATOM 271 NH1 ARG A 13 8.302 -7.512 8.911 1.00 0.00 N ATOM 272 NH2 ARG A 13 10.245 -8.579 9.351 1.00 0.00 N ATOM 0 H ARG A 13 6.392 -2.675 8.269 1.00 0.00 H new ATOM 0 HA ARG A 13 8.978 -2.504 6.878 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.003 -4.800 6.422 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.276 -4.387 5.291 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.954 -4.652 7.220 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.639 -5.276 8.196 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.209 -7.018 6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.661 -6.455 5.563 1.00 0.00 H new ATOM 0 HE ARG A 13 10.961 -7.654 7.165 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.735 -6.927 8.298 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.918 -7.846 9.795 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.197 -8.828 9.081 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.861 -8.914 10.235 1.00 0.00 H new ATOM 286 N CYS A 14 7.035 -0.788 6.096 1.00 0.00 N ATOM 287 CA CYS A 14 6.246 0.067 5.165 1.00 0.00 C ATOM 288 C CYS A 14 6.455 1.542 5.514 1.00 0.00 C ATOM 289 O CYS A 14 6.668 2.370 4.651 1.00 0.00 O ATOM 290 CB CYS A 14 4.760 -0.281 5.275 1.00 0.00 C ATOM 291 SG CYS A 14 3.910 0.250 3.766 1.00 0.00 S ATOM 0 H CYS A 14 7.466 -0.298 6.880 1.00 0.00 H new ATOM 0 HA CYS A 14 6.583 -0.113 4.144 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.635 -1.354 5.418 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.323 0.210 6.145 1.00 0.00 H new ATOM 0 HG CYS A 14 3.352 1.407 3.967 1.00 0.00 H new ATOM 296 N LEU A 15 6.396 1.878 6.772 1.00 0.00 N ATOM 297 CA LEU A 15 6.591 3.300 7.176 1.00 0.00 C ATOM 298 C LEU A 15 7.962 3.787 6.701 1.00 0.00 C ATOM 299 O LEU A 15 8.121 4.924 6.300 1.00 0.00 O ATOM 300 CB LEU A 15 6.501 3.411 8.703 1.00 0.00 C ATOM 301 CG LEU A 15 6.652 4.873 9.145 1.00 0.00 C ATOM 302 CD1 LEU A 15 5.360 5.644 8.870 1.00 0.00 C ATOM 303 CD2 LEU A 15 6.944 4.912 10.643 1.00 0.00 C ATOM 0 H LEU A 15 6.221 1.229 7.539 1.00 0.00 H new ATOM 0 HA LEU A 15 5.816 3.918 6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.544 3.018 9.046 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.279 2.803 9.164 1.00 0.00 H new ATOM 0 HG LEU A 15 7.468 5.332 8.588 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.480 6.680 9.188 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.139 5.615 7.803 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.539 5.187 9.423 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.053 5.947 10.966 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.121 4.447 11.186 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.867 4.369 10.848 1.00 0.00 H new ATOM 315 N GLN A 16 8.954 2.946 6.751 1.00 0.00 N ATOM 316 CA GLN A 16 10.311 3.373 6.311 1.00 0.00 C ATOM 317 C GLN A 16 10.258 3.846 4.855 1.00 0.00 C ATOM 318 O GLN A 16 10.951 4.766 4.469 1.00 0.00 O ATOM 319 CB GLN A 16 11.278 2.192 6.426 1.00 0.00 C ATOM 320 CG GLN A 16 11.421 1.796 7.896 1.00 0.00 C ATOM 321 CD GLN A 16 12.357 0.591 8.012 1.00 0.00 C ATOM 322 OE1 GLN A 16 12.621 -0.083 7.036 1.00 0.00 O ATOM 323 NE2 GLN A 16 12.873 0.289 9.172 1.00 0.00 N ATOM 0 H GLN A 16 8.885 1.982 7.077 1.00 0.00 H new ATOM 0 HA GLN A 16 10.654 4.191 6.944 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.909 1.347 5.844 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.250 2.462 6.014 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.815 2.633 8.472 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.444 1.553 8.315 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.652 0.855 9.991 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.498 -0.513 9.259 1.00 0.00 H new ATOM 332 N CYS A 17 9.452 3.220 4.044 1.00 0.00 N ATOM 333 CA CYS A 17 9.369 3.634 2.613 1.00 0.00 C ATOM 334 C CYS A 17 8.221 4.625 2.407 1.00 0.00 C ATOM 335 O CYS A 17 8.358 5.601 1.696 1.00 0.00 O ATOM 336 CB CYS A 17 9.130 2.404 1.739 1.00 0.00 C ATOM 337 SG CYS A 17 10.577 1.319 1.801 1.00 0.00 S ATOM 0 H CYS A 17 8.848 2.441 4.308 1.00 0.00 H new ATOM 0 HA CYS A 17 10.307 4.114 2.335 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.246 1.867 2.084 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.936 2.709 0.711 1.00 0.00 H new ATOM 0 HG CYS A 17 10.367 0.273 1.058 1.00 0.00 H new ATOM 342 N HIS A 18 7.086 4.378 3.006 1.00 0.00 N ATOM 343 CA HIS A 18 5.928 5.301 2.824 1.00 0.00 C ATOM 344 C HIS A 18 5.678 6.090 4.114 1.00 0.00 C ATOM 345 O HIS A 18 5.462 5.526 5.166 1.00 0.00 O ATOM 346 CB HIS A 18 4.684 4.478 2.476 1.00 0.00 C ATOM 347 CG HIS A 18 4.824 3.914 1.088 1.00 0.00 C ATOM 348 ND1 HIS A 18 4.714 4.694 -0.060 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.043 2.636 0.653 1.00 0.00 C ATOM 350 CE1 HIS A 18 4.859 3.873 -1.123 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.059 2.614 -0.735 1.00 0.00 N ATOM 0 H HIS A 18 6.911 3.577 3.613 1.00 0.00 H new ATOM 0 HA HIS A 18 6.146 6.002 2.019 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.557 3.670 3.197 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.793 5.103 2.537 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.182 1.776 1.291 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.818 4.195 -2.153 1.00 0.00 H new ATOM 0 HE2 HIS A 18 5.196 1.801 -1.335 1.00 0.00 H new ATOM 359 N THR A 19 5.706 7.395 4.036 1.00 0.00 N ATOM 360 CA THR A 19 5.473 8.225 5.254 1.00 0.00 C ATOM 361 C THR A 19 3.971 8.482 5.429 1.00 0.00 C ATOM 362 O THR A 19 3.499 8.732 6.521 1.00 0.00 O ATOM 363 CB THR A 19 6.207 9.560 5.105 1.00 0.00 C ATOM 364 OG1 THR A 19 5.567 10.339 4.104 1.00 0.00 O ATOM 365 CG2 THR A 19 7.659 9.303 4.702 1.00 0.00 C ATOM 0 H THR A 19 5.880 7.922 3.180 1.00 0.00 H new ATOM 0 HA THR A 19 5.849 7.696 6.129 1.00 0.00 H new ATOM 0 HB THR A 19 6.185 10.096 6.054 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.091 10.304 3.277 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.181 10.254 4.596 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.149 8.704 5.469 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.684 8.768 3.753 1.00 0.00 H new ATOM 373 N VAL A 20 3.220 8.426 4.365 1.00 0.00 N ATOM 374 CA VAL A 20 1.751 8.670 4.469 1.00 0.00 C ATOM 375 C VAL A 20 1.486 9.980 5.217 1.00 0.00 C ATOM 376 O VAL A 20 0.540 10.090 5.971 1.00 0.00 O ATOM 377 CB VAL A 20 1.094 7.517 5.227 1.00 0.00 C ATOM 378 CG1 VAL A 20 -0.370 7.394 4.802 1.00 0.00 C ATOM 379 CG2 VAL A 20 1.828 6.217 4.908 1.00 0.00 C ATOM 0 H VAL A 20 3.559 8.221 3.425 1.00 0.00 H new ATOM 0 HA VAL A 20 1.333 8.739 3.465 1.00 0.00 H new ATOM 0 HB VAL A 20 1.145 7.711 6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.838 6.572 5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.894 8.322 5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.423 7.200 3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.361 5.393 5.448 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.777 6.024 3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.871 6.304 5.212 1.00 0.00 H new ATOM 389 N GLU A 21 2.308 10.976 5.012 1.00 0.00 N ATOM 390 CA GLU A 21 2.090 12.277 5.710 1.00 0.00 C ATOM 391 C GLU A 21 1.491 13.285 4.728 1.00 0.00 C ATOM 392 O GLU A 21 1.761 13.249 3.544 1.00 0.00 O ATOM 393 CB GLU A 21 3.425 12.811 6.235 1.00 0.00 C ATOM 394 CG GLU A 21 3.993 11.841 7.272 1.00 0.00 C ATOM 395 CD GLU A 21 5.294 12.409 7.845 1.00 0.00 C ATOM 396 OE1 GLU A 21 5.769 13.398 7.311 1.00 0.00 O ATOM 397 OE2 GLU A 21 5.790 11.845 8.805 1.00 0.00 O ATOM 0 H GLU A 21 3.118 10.945 4.393 1.00 0.00 H new ATOM 0 HA GLU A 21 1.407 12.128 6.546 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.129 12.932 5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.284 13.795 6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.270 11.683 8.072 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.179 10.870 6.813 1.00 0.00 H new ATOM 404 N LYS A 22 0.680 14.188 5.209 1.00 0.00 N ATOM 405 CA LYS A 22 0.068 15.198 4.300 1.00 0.00 C ATOM 406 C LYS A 22 1.176 16.026 3.646 1.00 0.00 C ATOM 407 O LYS A 22 1.095 16.386 2.489 1.00 0.00 O ATOM 408 CB LYS A 22 -0.857 16.115 5.104 1.00 0.00 C ATOM 409 CG LYS A 22 -0.028 16.976 6.062 1.00 0.00 C ATOM 410 CD LYS A 22 -0.965 17.779 6.966 1.00 0.00 C ATOM 411 CE LYS A 22 -0.167 18.858 7.700 1.00 0.00 C ATOM 412 NZ LYS A 22 1.055 18.249 8.298 1.00 0.00 N ATOM 0 H LYS A 22 0.415 14.270 6.191 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.511 14.693 3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.429 16.752 4.429 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.577 15.519 5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.623 16.344 6.665 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.616 17.650 5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.756 18.238 6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.449 17.118 7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.111 19.654 7.009 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.779 19.312 8.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.413 18.863 9.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.821 17.315 8.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.785 18.144 7.565 1.00 0.00 H new ATOM 426 N GLY A 23 2.212 16.327 4.378 1.00 0.00 N ATOM 427 CA GLY A 23 3.328 17.125 3.799 1.00 0.00 C ATOM 428 C GLY A 23 3.863 16.416 2.555 1.00 0.00 C ATOM 429 O GLY A 23 4.342 17.039 1.629 1.00 0.00 O ATOM 0 H GLY A 23 2.334 16.054 5.353 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.979 18.125 3.540 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.124 17.245 4.534 1.00 0.00 H new ATOM 433 N GLY A 24 3.787 15.114 2.531 1.00 0.00 N ATOM 434 CA GLY A 24 4.290 14.358 1.351 1.00 0.00 C ATOM 435 C GLY A 24 5.801 14.558 1.218 1.00 0.00 C ATOM 436 O GLY A 24 6.284 15.030 0.208 1.00 0.00 O ATOM 0 H GLY A 24 3.397 14.541 3.279 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.062 13.298 1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.787 14.700 0.446 1.00 0.00 H new ATOM 440 N PRO A 25 6.542 14.197 2.233 1.00 0.00 N ATOM 441 CA PRO A 25 8.027 14.334 2.231 1.00 0.00 C ATOM 442 C PRO A 25 8.673 13.512 1.112 1.00 0.00 C ATOM 443 O PRO A 25 9.758 13.811 0.655 1.00 0.00 O ATOM 444 CB PRO A 25 8.464 13.808 3.604 1.00 0.00 C ATOM 445 CG PRO A 25 7.302 13.035 4.137 1.00 0.00 C ATOM 446 CD PRO A 25 6.049 13.618 3.489 1.00 0.00 C ATOM 0 HA PRO A 25 8.334 15.365 2.055 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.347 13.175 3.516 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.726 14.629 4.271 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.402 11.976 3.901 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.249 13.116 5.223 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.298 12.849 3.308 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.585 14.374 4.123 1.00 0.00 H new ATOM 454 N HIS A 26 8.007 12.482 0.666 1.00 0.00 N ATOM 455 CA HIS A 26 8.572 11.641 -0.425 1.00 0.00 C ATOM 456 C HIS A 26 9.956 11.129 -0.029 1.00 0.00 C ATOM 457 O HIS A 26 10.872 11.110 -0.828 1.00 0.00 O ATOM 458 CB HIS A 26 8.674 12.467 -1.709 1.00 0.00 C ATOM 459 CG HIS A 26 7.303 12.936 -2.105 1.00 0.00 C ATOM 460 ND1 HIS A 26 6.293 12.048 -2.447 1.00 0.00 N ATOM 461 CD2 HIS A 26 6.755 14.190 -2.217 1.00 0.00 C ATOM 462 CE1 HIS A 26 5.200 12.773 -2.746 1.00 0.00 C ATOM 463 NE2 HIS A 26 5.429 14.081 -2.621 1.00 0.00 N ATOM 0 H HIS A 26 7.094 12.187 1.012 1.00 0.00 H new ATOM 0 HA HIS A 26 7.915 10.788 -0.594 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.333 13.321 -1.555 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.111 11.867 -2.508 1.00 0.00 H new ATOM 0 HD2 HIS A 26 7.273 15.117 -2.022 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.254 12.349 -3.050 1.00 0.00 H new ATOM 0 HE2 HIS A 26 4.770 14.842 -2.787 1.00 0.00 H new ATOM 472 N LYS A 27 10.118 10.705 1.193 1.00 0.00 N ATOM 473 CA LYS A 27 11.444 10.186 1.627 1.00 0.00 C ATOM 474 C LYS A 27 11.850 9.035 0.705 1.00 0.00 C ATOM 475 O LYS A 27 13.006 8.864 0.377 1.00 0.00 O ATOM 476 CB LYS A 27 11.351 9.682 3.069 1.00 0.00 C ATOM 477 CG LYS A 27 12.741 9.268 3.555 1.00 0.00 C ATOM 478 CD LYS A 27 12.639 8.706 4.975 1.00 0.00 C ATOM 479 CE LYS A 27 14.040 8.399 5.509 1.00 0.00 C ATOM 480 NZ LYS A 27 14.375 6.972 5.233 1.00 0.00 N ATOM 0 H LYS A 27 9.391 10.695 1.908 1.00 0.00 H new ATOM 0 HA LYS A 27 12.188 10.981 1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.946 10.463 3.713 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.667 8.835 3.126 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.164 8.519 2.886 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.414 10.125 3.539 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.140 9.424 5.626 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.032 7.800 4.976 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.772 9.054 5.037 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.083 8.593 6.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.327 6.762 5.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.682 6.355 5.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.350 6.802 4.207 1.00 0.00 H new ATOM 494 N VAL A 28 10.899 8.247 0.281 1.00 0.00 N ATOM 495 CA VAL A 28 11.217 7.109 -0.625 1.00 0.00 C ATOM 496 C VAL A 28 10.051 6.894 -1.594 1.00 0.00 C ATOM 497 O VAL A 28 10.118 7.265 -2.750 1.00 0.00 O ATOM 498 CB VAL A 28 11.434 5.840 0.203 1.00 0.00 C ATOM 499 CG1 VAL A 28 12.257 4.836 -0.604 1.00 0.00 C ATOM 500 CG2 VAL A 28 12.182 6.195 1.490 1.00 0.00 C ATOM 0 H VAL A 28 9.913 8.344 0.524 1.00 0.00 H new ATOM 0 HA VAL A 28 12.124 7.332 -1.187 1.00 0.00 H new ATOM 0 HB VAL A 28 10.469 5.399 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.411 3.933 -0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.725 4.583 -1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.223 5.275 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.338 5.293 2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.147 6.636 1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.595 6.910 2.067 1.00 0.00 H new ATOM 510 N GLY A 29 8.984 6.303 -1.133 1.00 0.00 N ATOM 511 CA GLY A 29 7.813 6.068 -2.025 1.00 0.00 C ATOM 512 C GLY A 29 7.097 7.394 -2.295 1.00 0.00 C ATOM 513 O GLY A 29 7.253 8.353 -1.566 1.00 0.00 O ATOM 0 H GLY A 29 8.872 5.972 -0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.142 5.623 -2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.126 5.360 -1.561 1.00 0.00 H new ATOM 517 N PRO A 30 6.318 7.439 -3.341 1.00 0.00 N ATOM 518 CA PRO A 30 5.553 8.659 -3.734 1.00 0.00 C ATOM 519 C PRO A 30 4.610 9.140 -2.632 1.00 0.00 C ATOM 520 O PRO A 30 3.890 10.105 -2.794 1.00 0.00 O ATOM 521 CB PRO A 30 4.757 8.231 -4.973 1.00 0.00 C ATOM 522 CG PRO A 30 4.795 6.738 -4.988 1.00 0.00 C ATOM 523 CD PRO A 30 6.077 6.328 -4.268 1.00 0.00 C ATOM 0 HA PRO A 30 6.222 9.498 -3.924 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.731 8.595 -4.923 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.197 8.642 -5.881 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.920 6.323 -4.488 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.787 6.360 -6.010 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.956 5.383 -3.739 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.905 6.199 -4.965 1.00 0.00 H new ATOM 531 N ASN A 31 4.607 8.480 -1.511 1.00 0.00 N ATOM 532 CA ASN A 31 3.712 8.901 -0.397 1.00 0.00 C ATOM 533 C ASN A 31 2.250 8.689 -0.799 1.00 0.00 C ATOM 534 O ASN A 31 1.784 9.222 -1.787 1.00 0.00 O ATOM 535 CB ASN A 31 3.947 10.381 -0.068 1.00 0.00 C ATOM 536 CG ASN A 31 4.431 10.509 1.376 1.00 0.00 C ATOM 537 OD1 ASN A 31 5.624 10.984 1.612 1.00 0.00 O flip ATOM 538 ND2 ASN A 31 3.720 10.171 2.302 1.00 0.00 N flip ATOM 0 H ASN A 31 5.187 7.664 -1.316 1.00 0.00 H new ATOM 0 HA ASN A 31 3.934 8.299 0.484 1.00 0.00 H new ATOM 0 HB2 ASN A 31 4.685 10.804 -0.749 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.025 10.946 -0.206 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.788 9.800 2.120 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.056 10.259 3.261 1.00 0.00 H new ATOM 545 N LEU A 32 1.523 7.911 -0.041 1.00 0.00 N ATOM 546 CA LEU A 32 0.092 7.661 -0.382 1.00 0.00 C ATOM 547 C LEU A 32 -0.802 8.650 0.370 1.00 0.00 C ATOM 548 O LEU A 32 -0.583 8.949 1.527 1.00 0.00 O ATOM 549 CB LEU A 32 -0.293 6.235 0.022 1.00 0.00 C ATOM 550 CG LEU A 32 0.514 5.228 -0.800 1.00 0.00 C ATOM 551 CD1 LEU A 32 1.994 5.314 -0.422 1.00 0.00 C ATOM 552 CD2 LEU A 32 0.000 3.816 -0.514 1.00 0.00 C ATOM 0 H LEU A 32 1.858 7.438 0.799 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.043 7.789 -1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.104 6.085 1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.360 6.077 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 32 0.401 5.456 -1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.562 4.594 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.363 6.320 -0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.112 5.089 0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.572 3.095 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.114 3.595 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.053 3.750 -0.787 1.00 0.00 H new ATOM 564 N HIS A 33 -1.815 9.152 -0.281 1.00 0.00 N ATOM 565 CA HIS A 33 -2.738 10.113 0.389 1.00 0.00 C ATOM 566 C HIS A 33 -3.986 10.291 -0.474 1.00 0.00 C ATOM 567 O HIS A 33 -4.012 11.087 -1.391 1.00 0.00 O ATOM 568 CB HIS A 33 -2.036 11.462 0.564 1.00 0.00 C ATOM 569 CG HIS A 33 -2.926 12.394 1.340 1.00 0.00 C ATOM 570 ND1 HIS A 33 -3.252 12.168 2.671 1.00 0.00 N ATOM 571 CD2 HIS A 33 -3.569 13.556 0.988 1.00 0.00 C ATOM 572 CE1 HIS A 33 -4.057 13.172 3.067 1.00 0.00 C ATOM 573 NE2 HIS A 33 -4.279 14.042 2.080 1.00 0.00 N ATOM 0 H HIS A 33 -2.045 8.938 -1.251 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.022 9.728 1.369 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.089 11.326 1.087 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.803 11.892 -0.410 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.529 14.020 0.014 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.472 13.262 4.060 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.850 14.886 2.119 1.00 0.00 H new ATOM 582 N GLY A 34 -5.021 9.545 -0.196 1.00 0.00 N ATOM 583 CA GLY A 34 -6.264 9.664 -1.008 1.00 0.00 C ATOM 584 C GLY A 34 -6.180 8.698 -2.191 1.00 0.00 C ATOM 585 O GLY A 34 -7.022 8.692 -3.065 1.00 0.00 O ATOM 0 H GLY A 34 -5.059 8.859 0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.137 9.435 -0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.384 10.687 -1.365 1.00 0.00 H new ATOM 589 N ILE A 35 -5.161 7.882 -2.219 1.00 0.00 N ATOM 590 CA ILE A 35 -5.005 6.913 -3.339 1.00 0.00 C ATOM 591 C ILE A 35 -6.220 5.986 -3.395 1.00 0.00 C ATOM 592 O ILE A 35 -6.507 5.384 -4.411 1.00 0.00 O ATOM 593 CB ILE A 35 -3.737 6.082 -3.117 1.00 0.00 C ATOM 594 CG1 ILE A 35 -3.367 5.352 -4.410 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.988 5.058 -2.010 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.941 4.812 -4.300 1.00 0.00 C ATOM 0 H ILE A 35 -4.428 7.846 -1.511 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.927 7.457 -4.280 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.919 6.741 -2.827 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.064 4.534 -4.591 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.446 6.031 -5.259 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.087 4.466 -1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.249 5.576 -1.087 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.807 4.401 -2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.677 4.292 -5.221 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.250 5.640 -4.140 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.878 4.119 -3.461 1.00 0.00 H new ATOM 608 N PHE A 36 -6.937 5.860 -2.311 1.00 0.00 N ATOM 609 CA PHE A 36 -8.127 4.967 -2.306 1.00 0.00 C ATOM 610 C PHE A 36 -9.181 5.503 -3.277 1.00 0.00 C ATOM 611 O PHE A 36 -9.524 6.668 -3.258 1.00 0.00 O ATOM 612 CB PHE A 36 -8.715 4.924 -0.896 1.00 0.00 C ATOM 613 CG PHE A 36 -7.821 4.111 0.006 1.00 0.00 C ATOM 614 CD1 PHE A 36 -6.765 4.723 0.694 1.00 0.00 C ATOM 615 CD2 PHE A 36 -8.049 2.739 0.155 1.00 0.00 C ATOM 616 CE1 PHE A 36 -5.940 3.961 1.530 1.00 0.00 C ATOM 617 CE2 PHE A 36 -7.225 1.978 0.989 1.00 0.00 C ATOM 618 CZ PHE A 36 -6.170 2.588 1.677 1.00 0.00 C ATOM 0 H PHE A 36 -6.749 6.338 -1.430 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.830 3.965 -2.615 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.819 5.936 -0.504 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.714 4.488 -0.922 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.587 5.782 0.579 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.863 2.267 -0.375 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.126 4.432 2.061 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.403 0.919 1.103 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.533 2.000 2.321 1.00 0.00 H new ATOM 628 N GLY A 37 -9.705 4.653 -4.120 1.00 0.00 N ATOM 629 CA GLY A 37 -10.745 5.105 -5.086 1.00 0.00 C ATOM 630 C GLY A 37 -10.116 6.037 -6.123 1.00 0.00 C ATOM 631 O GLY A 37 -10.772 6.902 -6.668 1.00 0.00 O ATOM 0 H GLY A 37 -9.457 3.665 -4.180 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.193 4.244 -5.582 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.546 5.621 -4.557 1.00 0.00 H new ATOM 635 N ARG A 38 -8.849 5.879 -6.401 1.00 0.00 N ATOM 636 CA ARG A 38 -8.200 6.770 -7.400 1.00 0.00 C ATOM 637 C ARG A 38 -7.148 5.994 -8.195 1.00 0.00 C ATOM 638 O ARG A 38 -6.795 4.880 -7.861 1.00 0.00 O ATOM 639 CB ARG A 38 -7.544 7.952 -6.685 1.00 0.00 C ATOM 640 CG ARG A 38 -8.618 8.751 -5.946 1.00 0.00 C ATOM 641 CD ARG A 38 -8.028 10.074 -5.458 1.00 0.00 C ATOM 642 NE ARG A 38 -7.886 11.004 -6.613 1.00 0.00 N ATOM 643 CZ ARG A 38 -8.903 11.724 -7.000 1.00 0.00 C ATOM 644 NH1 ARG A 38 -10.045 11.631 -6.374 1.00 0.00 N ATOM 645 NH2 ARG A 38 -8.781 12.536 -8.014 1.00 0.00 N ATOM 0 H ARG A 38 -8.241 5.176 -5.981 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.958 7.141 -8.090 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.791 7.595 -5.982 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.031 8.589 -7.405 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.464 8.940 -6.607 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.996 8.176 -5.101 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.673 10.515 -4.698 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.057 9.903 -4.992 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.994 11.078 -7.101 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.142 10.995 -5.582 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.840 12.194 -6.677 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.890 12.608 -8.505 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.577 13.098 -8.316 1.00 0.00 H new ATOM 659 N HIS A 39 -6.650 6.574 -9.255 1.00 0.00 N ATOM 660 CA HIS A 39 -5.630 5.875 -10.085 1.00 0.00 C ATOM 661 C HIS A 39 -4.223 6.284 -9.638 1.00 0.00 C ATOM 662 O HIS A 39 -4.025 7.319 -9.035 1.00 0.00 O ATOM 663 CB HIS A 39 -5.824 6.253 -11.555 1.00 0.00 C ATOM 664 CG HIS A 39 -7.154 5.740 -12.033 1.00 0.00 C ATOM 665 ND1 HIS A 39 -8.316 6.497 -11.943 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.524 4.551 -12.612 1.00 0.00 C ATOM 667 CE1 HIS A 39 -9.320 5.760 -12.455 1.00 0.00 C ATOM 668 NE2 HIS A 39 -8.890 4.569 -12.875 1.00 0.00 N ATOM 0 H HIS A 39 -6.908 7.505 -9.581 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.747 4.798 -9.963 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.776 7.336 -11.673 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.021 5.831 -12.159 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.858 3.729 -12.829 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.346 6.092 -12.518 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.446 3.827 -13.300 1.00 0.00 H new ATOM 677 N SER A 40 -3.245 5.468 -9.929 1.00 0.00 N ATOM 678 CA SER A 40 -1.848 5.790 -9.525 1.00 0.00 C ATOM 679 C SER A 40 -1.348 7.010 -10.303 1.00 0.00 C ATOM 680 O SER A 40 -1.913 7.396 -11.306 1.00 0.00 O ATOM 681 CB SER A 40 -0.944 4.597 -9.829 1.00 0.00 C ATOM 682 OG SER A 40 -0.751 4.502 -11.235 1.00 0.00 O ATOM 0 H SER A 40 -3.356 4.588 -10.432 1.00 0.00 H new ATOM 0 HA SER A 40 -1.827 6.009 -8.457 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.015 4.715 -9.325 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.393 3.679 -9.449 1.00 0.00 H new ATOM 0 HG SER A 40 -1.622 4.449 -11.682 1.00 0.00 H new ATOM 688 N GLY A 41 -0.285 7.616 -9.844 1.00 0.00 N ATOM 689 CA GLY A 41 0.263 8.806 -10.550 1.00 0.00 C ATOM 690 C GLY A 41 -0.234 10.083 -9.871 1.00 0.00 C ATOM 691 O GLY A 41 0.235 11.170 -10.150 1.00 0.00 O ATOM 0 H GLY A 41 0.227 7.335 -9.008 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.353 8.777 -10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.046 8.795 -11.595 1.00 0.00 H new ATOM 695 N GLN A 42 -1.181 9.965 -8.981 1.00 0.00 N ATOM 696 CA GLN A 42 -1.705 11.175 -8.287 1.00 0.00 C ATOM 697 C GLN A 42 -0.583 11.844 -7.492 1.00 0.00 C ATOM 698 O GLN A 42 -0.508 13.054 -7.407 1.00 0.00 O ATOM 699 CB GLN A 42 -2.827 10.776 -7.329 1.00 0.00 C ATOM 700 CG GLN A 42 -3.460 12.038 -6.740 1.00 0.00 C ATOM 701 CD GLN A 42 -4.446 11.649 -5.637 1.00 0.00 C ATOM 702 OE1 GLN A 42 -5.726 11.746 -5.861 1.00 0.00 O flip ATOM 703 NE2 GLN A 42 -4.044 11.248 -4.563 1.00 0.00 N flip ATOM 0 H GLN A 42 -1.614 9.084 -8.705 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.090 11.871 -9.033 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.580 10.190 -7.856 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.433 10.146 -6.531 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.686 12.691 -6.337 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.974 12.598 -7.521 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.042 11.173 -4.389 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.709 10.987 -3.835 1.00 0.00 H new ATOM 712 N ALA A 43 0.281 11.069 -6.895 1.00 0.00 N ATOM 713 CA ALA A 43 1.383 11.670 -6.096 1.00 0.00 C ATOM 714 C ALA A 43 2.208 12.606 -6.978 1.00 0.00 C ATOM 715 O ALA A 43 2.472 12.320 -8.129 1.00 0.00 O ATOM 716 CB ALA A 43 2.284 10.558 -5.556 1.00 0.00 C ATOM 0 H ALA A 43 0.271 10.050 -6.926 1.00 0.00 H new ATOM 0 HA ALA A 43 0.959 12.235 -5.266 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.092 10.997 -4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.699 9.890 -4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.704 9.994 -6.389 1.00 0.00 H new ATOM 722 N GLU A 44 2.616 13.726 -6.443 1.00 0.00 N ATOM 723 CA GLU A 44 3.425 14.691 -7.239 1.00 0.00 C ATOM 724 C GLU A 44 4.710 15.023 -6.479 1.00 0.00 C ATOM 725 O GLU A 44 4.740 15.034 -5.265 1.00 0.00 O ATOM 726 CB GLU A 44 2.615 15.971 -7.457 1.00 0.00 C ATOM 727 CG GLU A 44 1.322 15.638 -8.204 1.00 0.00 C ATOM 728 CD GLU A 44 0.556 16.929 -8.497 1.00 0.00 C ATOM 729 OE1 GLU A 44 0.950 17.960 -7.979 1.00 0.00 O ATOM 730 OE2 GLU A 44 -0.414 16.864 -9.236 1.00 0.00 O ATOM 0 H GLU A 44 2.422 14.014 -5.484 1.00 0.00 H new ATOM 0 HA GLU A 44 3.677 14.251 -8.204 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.384 16.435 -6.498 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.201 16.692 -8.027 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.550 15.119 -9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.707 14.965 -7.606 1.00 0.00 H new ATOM 737 N GLY A 45 5.773 15.297 -7.183 1.00 0.00 N ATOM 738 CA GLY A 45 7.055 15.633 -6.500 1.00 0.00 C ATOM 739 C GLY A 45 7.942 14.391 -6.422 1.00 0.00 C ATOM 740 O GLY A 45 9.091 14.465 -6.034 1.00 0.00 O ATOM 0 H GLY A 45 5.810 15.303 -8.202 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.570 16.425 -7.043 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.855 16.012 -5.498 1.00 0.00 H new ATOM 744 N TYR A 46 7.424 13.248 -6.790 1.00 0.00 N ATOM 745 CA TYR A 46 8.244 12.003 -6.739 1.00 0.00 C ATOM 746 C TYR A 46 8.153 11.279 -8.082 1.00 0.00 C ATOM 747 O TYR A 46 7.087 11.126 -8.647 1.00 0.00 O ATOM 748 CB TYR A 46 7.724 11.085 -5.629 1.00 0.00 C ATOM 749 CG TYR A 46 8.635 9.886 -5.505 1.00 0.00 C ATOM 750 CD1 TYR A 46 9.829 9.987 -4.780 1.00 0.00 C ATOM 751 CD2 TYR A 46 8.287 8.672 -6.111 1.00 0.00 C ATOM 752 CE1 TYR A 46 10.674 8.878 -4.663 1.00 0.00 C ATOM 753 CE2 TYR A 46 9.134 7.561 -5.993 1.00 0.00 C ATOM 754 CZ TYR A 46 10.327 7.665 -5.269 1.00 0.00 C ATOM 755 OH TYR A 46 11.161 6.572 -5.153 1.00 0.00 O ATOM 0 H TYR A 46 6.468 13.124 -7.124 1.00 0.00 H new ATOM 0 HA TYR A 46 9.282 12.264 -6.533 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.684 11.625 -4.683 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.708 10.762 -5.855 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.098 10.922 -4.311 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.366 8.592 -6.669 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.595 8.958 -4.105 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.866 6.625 -6.461 1.00 0.00 H new ATOM 0 HH TYR A 46 11.182 6.274 -4.220 1.00 0.00 H new ATOM 765 N SER A 47 9.264 10.831 -8.600 1.00 0.00 N ATOM 766 CA SER A 47 9.243 10.116 -9.906 1.00 0.00 C ATOM 767 C SER A 47 8.524 8.775 -9.747 1.00 0.00 C ATOM 768 O SER A 47 8.451 8.223 -8.667 1.00 0.00 O ATOM 769 CB SER A 47 10.678 9.872 -10.376 1.00 0.00 C ATOM 770 OG SER A 47 11.353 11.118 -10.489 1.00 0.00 O ATOM 0 H SER A 47 10.186 10.930 -8.174 1.00 0.00 H new ATOM 0 HA SER A 47 8.716 10.723 -10.642 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.199 9.226 -9.670 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.676 9.358 -11.337 1.00 0.00 H new ATOM 0 HG SER A 47 12.274 10.965 -10.788 1.00 0.00 H new ATOM 776 N TYR A 48 7.999 8.246 -10.820 1.00 0.00 N ATOM 777 CA TYR A 48 7.288 6.937 -10.747 1.00 0.00 C ATOM 778 C TYR A 48 8.095 5.878 -11.497 1.00 0.00 C ATOM 779 O TYR A 48 8.647 6.133 -12.548 1.00 0.00 O ATOM 780 CB TYR A 48 5.903 7.066 -11.383 1.00 0.00 C ATOM 781 CG TYR A 48 4.900 7.489 -10.336 1.00 0.00 C ATOM 782 CD1 TYR A 48 4.753 8.842 -10.008 1.00 0.00 C ATOM 783 CD2 TYR A 48 4.115 6.524 -9.693 1.00 0.00 C ATOM 784 CE1 TYR A 48 3.821 9.230 -9.037 1.00 0.00 C ATOM 785 CE2 TYR A 48 3.184 6.912 -8.723 1.00 0.00 C ATOM 786 CZ TYR A 48 3.037 8.263 -8.395 1.00 0.00 C ATOM 787 OH TYR A 48 2.116 8.644 -7.438 1.00 0.00 O ATOM 0 H TYR A 48 8.032 8.667 -11.749 1.00 0.00 H new ATOM 0 HA TYR A 48 7.180 6.643 -9.703 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.930 7.797 -12.191 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.604 6.115 -11.823 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.358 9.587 -10.504 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.228 5.480 -9.946 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.707 10.274 -8.784 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.579 6.167 -8.227 1.00 0.00 H new ATOM 0 HH TYR A 48 1.656 7.851 -7.093 1.00 0.00 H new ATOM 797 N THR A 49 8.166 4.689 -10.967 1.00 0.00 N ATOM 798 CA THR A 49 8.936 3.615 -11.650 1.00 0.00 C ATOM 799 C THR A 49 8.208 3.206 -12.931 1.00 0.00 C ATOM 800 O THR A 49 6.994 3.211 -12.996 1.00 0.00 O ATOM 801 CB THR A 49 9.061 2.402 -10.725 1.00 0.00 C ATOM 802 OG1 THR A 49 9.618 2.811 -9.484 1.00 0.00 O ATOM 803 CG2 THR A 49 9.971 1.358 -11.376 1.00 0.00 C ATOM 0 H THR A 49 7.723 4.415 -10.090 1.00 0.00 H new ATOM 0 HA THR A 49 9.932 3.984 -11.896 1.00 0.00 H new ATOM 0 HB THR A 49 8.076 1.968 -10.555 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.697 2.036 -8.890 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.061 0.493 -10.719 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.543 1.046 -12.329 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.957 1.790 -11.545 1.00 0.00 H new ATOM 811 N ASP A 50 8.938 2.859 -13.955 1.00 0.00 N ATOM 812 CA ASP A 50 8.290 2.459 -15.233 1.00 0.00 C ATOM 813 C ASP A 50 7.238 1.381 -14.965 1.00 0.00 C ATOM 814 O ASP A 50 6.192 1.353 -15.579 1.00 0.00 O ATOM 815 CB ASP A 50 9.347 1.909 -16.188 1.00 0.00 C ATOM 816 CG ASP A 50 10.282 3.040 -16.622 1.00 0.00 C ATOM 817 OD1 ASP A 50 9.955 4.186 -16.363 1.00 0.00 O ATOM 818 OD2 ASP A 50 11.308 2.740 -17.209 1.00 0.00 O ATOM 0 H ASP A 50 9.958 2.836 -13.960 1.00 0.00 H new ATOM 0 HA ASP A 50 7.809 3.329 -15.680 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.917 1.119 -15.700 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.868 1.464 -17.060 1.00 0.00 H new ATOM 823 N ALA A 51 7.507 0.489 -14.054 1.00 0.00 N ATOM 824 CA ALA A 51 6.527 -0.593 -13.751 1.00 0.00 C ATOM 825 C ALA A 51 5.105 -0.021 -13.687 1.00 0.00 C ATOM 826 O ALA A 51 4.304 -0.229 -14.575 1.00 0.00 O ATOM 827 CB ALA A 51 6.877 -1.228 -12.404 1.00 0.00 C ATOM 0 H ALA A 51 8.366 0.462 -13.504 1.00 0.00 H new ATOM 0 HA ALA A 51 6.572 -1.343 -14.540 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.163 -2.020 -12.178 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.882 -1.648 -12.450 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.836 -0.469 -11.623 1.00 0.00 H new ATOM 833 N ASN A 52 4.780 0.679 -12.633 1.00 0.00 N ATOM 834 CA ASN A 52 3.402 1.243 -12.503 1.00 0.00 C ATOM 835 C ASN A 52 3.039 2.080 -13.736 1.00 0.00 C ATOM 836 O ASN A 52 1.928 2.026 -14.222 1.00 0.00 O ATOM 837 CB ASN A 52 3.325 2.125 -11.253 1.00 0.00 C ATOM 838 CG ASN A 52 1.888 2.622 -11.060 1.00 0.00 C ATOM 839 OD1 ASN A 52 1.025 1.882 -10.414 1.00 0.00 O flip ATOM 840 ND2 ASN A 52 1.548 3.705 -11.494 1.00 0.00 N flip ATOM 0 H ASN A 52 5.408 0.885 -11.856 1.00 0.00 H new ATOM 0 HA ASN A 52 2.696 0.416 -12.420 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.646 1.561 -10.377 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.003 2.973 -11.352 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.218 4.285 -11.998 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.593 4.034 -11.354 1.00 0.00 H new ATOM 847 N ILE A 53 3.952 2.860 -14.247 1.00 0.00 N ATOM 848 CA ILE A 53 3.626 3.691 -15.437 1.00 0.00 C ATOM 849 C ILE A 53 3.211 2.789 -16.603 1.00 0.00 C ATOM 850 O ILE A 53 2.202 3.012 -17.242 1.00 0.00 O ATOM 851 CB ILE A 53 4.853 4.507 -15.833 1.00 0.00 C ATOM 852 CG1 ILE A 53 5.270 5.402 -14.665 1.00 0.00 C ATOM 853 CG2 ILE A 53 4.513 5.373 -17.040 1.00 0.00 C ATOM 854 CD1 ILE A 53 6.541 6.168 -15.036 1.00 0.00 C ATOM 0 H ILE A 53 4.904 2.957 -13.893 1.00 0.00 H new ATOM 0 HA ILE A 53 2.802 4.362 -15.195 1.00 0.00 H new ATOM 0 HB ILE A 53 5.673 3.835 -16.084 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.469 6.101 -14.425 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.444 4.798 -13.774 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.387 5.958 -17.326 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.214 4.736 -17.872 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.694 6.046 -16.786 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.838 6.806 -14.203 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.341 5.461 -15.255 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.351 6.784 -15.915 1.00 0.00 H new ATOM 866 N LYS A 54 3.977 1.769 -16.882 1.00 0.00 N ATOM 867 CA LYS A 54 3.617 0.854 -18.003 1.00 0.00 C ATOM 868 C LYS A 54 2.251 0.224 -17.725 1.00 0.00 C ATOM 869 O LYS A 54 1.481 -0.030 -18.629 1.00 0.00 O ATOM 870 CB LYS A 54 4.674 -0.244 -18.130 1.00 0.00 C ATOM 871 CG LYS A 54 5.999 0.370 -18.592 1.00 0.00 C ATOM 872 CD LYS A 54 7.026 -0.741 -18.818 1.00 0.00 C ATOM 873 CE LYS A 54 8.382 -0.120 -19.163 1.00 0.00 C ATOM 874 NZ LYS A 54 8.860 -0.665 -20.464 1.00 0.00 N ATOM 0 H LYS A 54 4.834 1.530 -16.384 1.00 0.00 H new ATOM 0 HA LYS A 54 3.574 1.419 -18.934 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.809 -0.746 -17.172 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.344 -1.000 -18.842 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.849 0.934 -19.513 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.367 1.073 -17.844 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.113 -1.358 -17.923 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.698 -1.396 -19.625 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.293 0.965 -19.221 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.105 -0.339 -18.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.781 -0.244 -20.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.960 -1.698 -20.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.173 -0.435 -21.210 1.00 0.00 H new ATOM 888 N LYS A 55 1.949 -0.025 -16.479 1.00 0.00 N ATOM 889 CA LYS A 55 0.634 -0.637 -16.134 1.00 0.00 C ATOM 890 C LYS A 55 -0.056 0.215 -15.068 1.00 0.00 C ATOM 891 O LYS A 55 0.412 0.325 -13.952 1.00 0.00 O ATOM 892 CB LYS A 55 0.862 -2.049 -15.586 1.00 0.00 C ATOM 893 CG LYS A 55 -0.485 -2.718 -15.301 1.00 0.00 C ATOM 894 CD LYS A 55 -0.247 -4.113 -14.722 1.00 0.00 C ATOM 895 CE LYS A 55 -1.584 -4.844 -14.584 1.00 0.00 C ATOM 896 NZ LYS A 55 -1.832 -5.161 -13.149 1.00 0.00 N ATOM 0 H LYS A 55 2.558 0.170 -15.684 1.00 0.00 H new ATOM 0 HA LYS A 55 0.007 -0.687 -17.024 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.428 -2.641 -16.305 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.456 -2.003 -14.673 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.062 -2.115 -14.600 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.070 -2.788 -16.218 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.423 -4.678 -15.370 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.240 -4.036 -13.750 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.391 -4.225 -14.975 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.572 -5.761 -15.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.741 -5.658 -13.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.067 -5.768 -12.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.861 -4.279 -12.599 1.00 0.00 H new ATOM 910 N ASN A 56 -1.168 0.814 -15.395 1.00 0.00 N ATOM 911 CA ASN A 56 -1.879 1.650 -14.390 1.00 0.00 C ATOM 912 C ASN A 56 -2.999 0.823 -13.762 1.00 0.00 C ATOM 913 O ASN A 56 -3.668 0.060 -14.430 1.00 0.00 O ATOM 914 CB ASN A 56 -2.470 2.891 -15.059 1.00 0.00 C ATOM 915 CG ASN A 56 -2.762 3.947 -13.988 1.00 0.00 C ATOM 916 OD1 ASN A 56 -2.554 3.659 -12.731 1.00 0.00 O flip ATOM 917 ND2 ASN A 56 -3.182 5.045 -14.299 1.00 0.00 N flip ATOM 0 H ASN A 56 -1.613 0.761 -16.311 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.175 1.969 -13.621 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.774 3.287 -15.798 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.385 2.632 -15.591 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.344 5.270 -15.281 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.372 5.741 -13.578 1.00 0.00 H new ATOM 924 N VAL A 57 -3.195 0.955 -12.480 1.00 0.00 N ATOM 925 CA VAL A 57 -4.256 0.163 -11.802 1.00 0.00 C ATOM 926 C VAL A 57 -5.099 1.068 -10.902 1.00 0.00 C ATOM 927 O VAL A 57 -4.609 2.014 -10.319 1.00 0.00 O ATOM 928 CB VAL A 57 -3.593 -0.912 -10.945 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.750 -0.237 -9.862 1.00 0.00 C ATOM 930 CG2 VAL A 57 -4.672 -1.777 -10.290 1.00 0.00 C ATOM 0 H VAL A 57 -2.664 1.579 -11.872 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.902 -0.291 -12.553 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.956 -1.540 -11.567 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.273 -0.998 -9.245 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.985 0.383 -10.330 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.391 0.386 -9.238 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.200 -2.545 -9.678 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.308 -1.152 -9.662 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.278 -2.250 -11.063 1.00 0.00 H new ATOM 940 N LEU A 58 -6.363 0.768 -10.769 1.00 0.00 N ATOM 941 CA LEU A 58 -7.237 1.592 -9.890 1.00 0.00 C ATOM 942 C LEU A 58 -7.019 1.146 -8.445 1.00 0.00 C ATOM 943 O LEU A 58 -7.052 -0.029 -8.142 1.00 0.00 O ATOM 944 CB LEU A 58 -8.702 1.376 -10.282 1.00 0.00 C ATOM 945 CG LEU A 58 -9.611 2.212 -9.377 1.00 0.00 C ATOM 946 CD1 LEU A 58 -9.340 3.698 -9.605 1.00 0.00 C ATOM 947 CD2 LEU A 58 -11.076 1.910 -9.705 1.00 0.00 C ATOM 0 H LEU A 58 -6.827 -0.013 -11.232 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.994 2.649 -9.996 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.854 1.657 -11.324 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.959 0.320 -10.195 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.409 1.962 -8.336 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.989 4.289 -8.959 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.298 3.918 -9.372 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.539 3.949 -10.647 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.723 2.505 -9.061 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -11.274 2.159 -10.748 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.275 0.851 -9.540 1.00 0.00 H new ATOM 959 N TRP A 59 -6.778 2.066 -7.553 1.00 0.00 N ATOM 960 CA TRP A 59 -6.539 1.668 -6.142 1.00 0.00 C ATOM 961 C TRP A 59 -7.847 1.692 -5.356 1.00 0.00 C ATOM 962 O TRP A 59 -8.486 2.716 -5.200 1.00 0.00 O ATOM 963 CB TRP A 59 -5.526 2.623 -5.513 1.00 0.00 C ATOM 964 CG TRP A 59 -4.179 2.329 -6.088 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.539 3.091 -7.001 1.00 0.00 C ATOM 966 CD2 TRP A 59 -3.307 1.200 -5.813 1.00 0.00 C ATOM 967 NE1 TRP A 59 -2.327 2.496 -7.309 1.00 0.00 N ATOM 968 CE2 TRP A 59 -2.138 1.327 -6.597 1.00 0.00 C ATOM 969 CE3 TRP A 59 -3.416 0.090 -4.962 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -1.113 0.380 -6.544 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -2.387 -0.861 -4.901 1.00 0.00 C ATOM 972 CH2 TRP A 59 -1.239 -0.716 -5.691 1.00 0.00 C ATOM 0 H TRP A 59 -6.737 3.068 -7.740 1.00 0.00 H new ATOM 0 HA TRP A 59 -6.143 0.653 -6.116 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -5.806 3.657 -5.713 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -5.511 2.500 -4.430 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.911 4.013 -7.422 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.657 2.874 -7.979 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.298 -0.033 -4.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.232 0.495 -7.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.480 -1.711 -4.241 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.451 -1.453 -5.639 1.00 0.00 H new ATOM 983 N ASP A 60 -8.232 0.553 -4.852 1.00 0.00 N ATOM 984 CA ASP A 60 -9.482 0.438 -4.054 1.00 0.00 C ATOM 985 C ASP A 60 -9.222 -0.521 -2.892 1.00 0.00 C ATOM 986 O ASP A 60 -8.126 -1.022 -2.727 1.00 0.00 O ATOM 987 CB ASP A 60 -10.607 -0.116 -4.934 1.00 0.00 C ATOM 988 CG ASP A 60 -10.950 0.894 -6.031 1.00 0.00 C ATOM 989 OD1 ASP A 60 -10.573 2.045 -5.890 1.00 0.00 O ATOM 990 OD2 ASP A 60 -11.586 0.498 -6.994 1.00 0.00 O ATOM 0 H ASP A 60 -7.720 -0.322 -4.963 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.778 1.417 -3.677 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.300 -1.062 -5.380 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.489 -0.321 -4.327 1.00 0.00 H new ATOM 995 N GLU A 61 -10.207 -0.783 -2.084 1.00 0.00 N ATOM 996 CA GLU A 61 -9.994 -1.711 -0.937 1.00 0.00 C ATOM 997 C GLU A 61 -9.610 -3.103 -1.452 1.00 0.00 C ATOM 998 O GLU A 61 -8.786 -3.785 -0.871 1.00 0.00 O ATOM 999 CB GLU A 61 -11.285 -1.813 -0.127 1.00 0.00 C ATOM 1000 CG GLU A 61 -11.619 -0.449 0.476 1.00 0.00 C ATOM 1001 CD GLU A 61 -12.870 -0.566 1.348 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -13.493 -1.614 1.317 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -13.186 0.395 2.030 1.00 0.00 O ATOM 0 H GLU A 61 -11.148 -0.398 -2.165 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.190 -1.327 -0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.102 -2.150 -0.766 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.173 -2.554 0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.781 -0.088 1.072 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.783 0.280 -0.317 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.205 -3.535 -2.528 1.00 0.00 N ATOM 1011 CA ASN A 62 -9.883 -4.888 -3.066 1.00 0.00 C ATOM 1012 C ASN A 62 -8.539 -4.861 -3.799 1.00 0.00 C ATOM 1013 O ASN A 62 -7.739 -5.766 -3.679 1.00 0.00 O ATOM 1014 CB ASN A 62 -10.975 -5.313 -4.047 1.00 0.00 C ATOM 1015 CG ASN A 62 -12.150 -4.337 -3.956 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -12.106 -3.224 -4.636 1.00 0.00 O flip ATOM 1017 ND2 ASN A 62 -13.111 -4.587 -3.259 1.00 0.00 N flip ATOM 0 H ASN A 62 -10.900 -3.011 -3.059 1.00 0.00 H new ATOM 0 HA ASN A 62 -9.826 -5.594 -2.237 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -10.580 -5.330 -5.063 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.310 -6.325 -3.819 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.143 -5.457 -2.728 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.886 -3.927 -3.204 1.00 0.00 H new ATOM 1024 N ASN A 63 -8.293 -3.837 -4.568 1.00 0.00 N ATOM 1025 CA ASN A 63 -7.010 -3.766 -5.321 1.00 0.00 C ATOM 1026 C ASN A 63 -5.826 -3.804 -4.354 1.00 0.00 C ATOM 1027 O ASN A 63 -4.840 -4.473 -4.592 1.00 0.00 O ATOM 1028 CB ASN A 63 -6.966 -2.468 -6.125 1.00 0.00 C ATOM 1029 CG ASN A 63 -5.840 -2.541 -7.154 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -5.879 -3.351 -8.059 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -4.827 -1.724 -7.055 1.00 0.00 N ATOM 0 H ASN A 63 -8.924 -3.048 -4.707 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.946 -4.621 -5.994 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.920 -2.306 -6.626 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.808 -1.620 -5.458 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.069 -1.766 -7.737 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.793 -1.044 -6.296 1.00 0.00 H new ATOM 1038 N MET A 64 -5.908 -3.092 -3.264 1.00 0.00 N ATOM 1039 CA MET A 64 -4.777 -3.097 -2.294 1.00 0.00 C ATOM 1040 C MET A 64 -4.586 -4.503 -1.732 1.00 0.00 C ATOM 1041 O MET A 64 -3.476 -4.961 -1.556 1.00 0.00 O ATOM 1042 CB MET A 64 -5.067 -2.119 -1.154 1.00 0.00 C ATOM 1043 CG MET A 64 -4.975 -0.691 -1.685 1.00 0.00 C ATOM 1044 SD MET A 64 -5.146 0.484 -0.322 1.00 0.00 S ATOM 1045 CE MET A 64 -4.955 1.990 -1.307 1.00 0.00 C ATOM 0 H MET A 64 -6.704 -2.510 -3.004 1.00 0.00 H new ATOM 0 HA MET A 64 -3.865 -2.789 -2.806 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.060 -2.304 -0.743 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.354 -2.265 -0.343 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.020 -0.542 -2.188 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.756 -0.518 -2.426 1.00 0.00 H new ATOM 0 HE1 MET A 64 -4.554 2.787 -0.680 1.00 0.00 H new ATOM 0 HE2 MET A 64 -4.270 1.800 -2.134 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.925 2.292 -1.702 1.00 0.00 H new ATOM 1055 N SER A 65 -5.651 -5.195 -1.454 1.00 0.00 N ATOM 1056 CA SER A 65 -5.509 -6.572 -0.905 1.00 0.00 C ATOM 1057 C SER A 65 -4.724 -7.441 -1.892 1.00 0.00 C ATOM 1058 O SER A 65 -3.889 -8.235 -1.506 1.00 0.00 O ATOM 1059 CB SER A 65 -6.899 -7.171 -0.686 1.00 0.00 C ATOM 1060 OG SER A 65 -7.584 -6.418 0.304 1.00 0.00 O ATOM 0 H SER A 65 -6.610 -4.871 -1.581 1.00 0.00 H new ATOM 0 HA SER A 65 -4.973 -6.534 0.043 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.462 -7.163 -1.619 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.814 -8.212 -0.374 1.00 0.00 H new ATOM 0 HG SER A 65 -7.959 -5.609 -0.102 1.00 0.00 H new ATOM 1066 N GLU A 66 -4.984 -7.299 -3.163 1.00 0.00 N ATOM 1067 CA GLU A 66 -4.259 -8.113 -4.177 1.00 0.00 C ATOM 1068 C GLU A 66 -2.804 -7.644 -4.300 1.00 0.00 C ATOM 1069 O GLU A 66 -1.913 -8.423 -4.579 1.00 0.00 O ATOM 1070 CB GLU A 66 -4.956 -7.961 -5.527 1.00 0.00 C ATOM 1071 CG GLU A 66 -6.363 -8.557 -5.446 1.00 0.00 C ATOM 1072 CD GLU A 66 -7.035 -8.472 -6.818 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -6.474 -7.829 -7.690 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -8.097 -9.050 -6.972 1.00 0.00 O ATOM 0 H GLU A 66 -5.672 -6.650 -3.544 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.265 -9.158 -3.866 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.011 -6.908 -5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.381 -8.464 -6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.311 -9.595 -5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.955 -8.019 -4.706 1.00 0.00 H new ATOM 1081 N HIS A 67 -2.560 -6.377 -4.116 1.00 0.00 N ATOM 1082 CA HIS A 67 -1.168 -5.853 -4.247 1.00 0.00 C ATOM 1083 C HIS A 67 -0.228 -6.592 -3.294 1.00 0.00 C ATOM 1084 O HIS A 67 0.809 -7.085 -3.689 1.00 0.00 O ATOM 1085 CB HIS A 67 -1.172 -4.359 -3.915 1.00 0.00 C ATOM 1086 CG HIS A 67 0.199 -3.779 -4.135 1.00 0.00 C ATOM 1087 ND1 HIS A 67 0.874 -3.915 -5.338 1.00 0.00 N ATOM 1088 CD2 HIS A 67 1.025 -3.042 -3.323 1.00 0.00 C ATOM 1089 CE1 HIS A 67 2.053 -3.276 -5.220 1.00 0.00 C ATOM 1090 NE2 HIS A 67 2.193 -2.729 -4.012 1.00 0.00 N ATOM 0 H HIS A 67 -3.265 -5.678 -3.880 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.816 -6.009 -5.267 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.899 -3.841 -4.540 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.477 -4.209 -2.879 1.00 0.00 H new ATOM 0 HD1 HIS A 67 0.538 -4.410 -6.164 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.803 -2.750 -2.307 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.792 -3.214 -6.005 1.00 0.00 H new ATOM 1099 N LEU A 68 -0.579 -6.676 -2.045 1.00 0.00 N ATOM 1100 CA LEU A 68 0.294 -7.385 -1.070 1.00 0.00 C ATOM 1101 C LEU A 68 0.252 -8.892 -1.331 1.00 0.00 C ATOM 1102 O LEU A 68 1.191 -9.609 -1.046 1.00 0.00 O ATOM 1103 CB LEU A 68 -0.188 -7.090 0.350 1.00 0.00 C ATOM 1104 CG LEU A 68 0.195 -5.657 0.728 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.588 -4.671 -0.138 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -0.140 -5.409 2.199 1.00 0.00 C ATOM 0 H LEU A 68 -1.435 -6.283 -1.654 1.00 0.00 H new ATOM 0 HA LEU A 68 1.320 -7.036 -1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.269 -7.218 0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.258 -7.795 1.051 1.00 0.00 H new ATOM 0 HG LEU A 68 1.264 -5.517 0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.314 -3.651 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.353 -4.843 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.656 -4.814 0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.133 -4.388 2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.209 -5.552 2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.417 -6.109 2.822 1.00 0.00 H new ATOM 1118 N THR A 69 -0.835 -9.381 -1.856 1.00 0.00 N ATOM 1119 CA THR A 69 -0.952 -10.845 -2.120 1.00 0.00 C ATOM 1120 C THR A 69 0.172 -11.324 -3.047 1.00 0.00 C ATOM 1121 O THR A 69 0.692 -12.411 -2.883 1.00 0.00 O ATOM 1122 CB THR A 69 -2.304 -11.137 -2.771 1.00 0.00 C ATOM 1123 OG1 THR A 69 -3.343 -10.592 -1.969 1.00 0.00 O ATOM 1124 CG2 THR A 69 -2.495 -12.650 -2.896 1.00 0.00 C ATOM 0 H THR A 69 -1.652 -8.829 -2.116 1.00 0.00 H new ATOM 0 HA THR A 69 -0.871 -11.376 -1.172 1.00 0.00 H new ATOM 0 HB THR A 69 -2.335 -10.685 -3.762 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.341 -9.615 -2.050 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.459 -12.858 -3.360 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.698 -13.068 -3.512 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.464 -13.104 -1.905 1.00 0.00 H new ATOM 1132 N ASN A 70 0.547 -10.543 -4.023 1.00 0.00 N ATOM 1133 CA ASN A 70 1.630 -10.990 -4.948 1.00 0.00 C ATOM 1134 C ASN A 70 2.188 -9.799 -5.729 1.00 0.00 C ATOM 1135 O ASN A 70 2.048 -9.707 -6.933 1.00 0.00 O ATOM 1136 CB ASN A 70 1.059 -12.022 -5.926 1.00 0.00 C ATOM 1137 CG ASN A 70 2.157 -13.005 -6.330 1.00 0.00 C ATOM 1138 OD1 ASN A 70 2.739 -13.662 -5.492 1.00 0.00 O ATOM 1139 ND2 ASN A 70 2.468 -13.134 -7.591 1.00 0.00 N ATOM 0 H ASN A 70 0.155 -9.622 -4.220 1.00 0.00 H new ATOM 0 HA ASN A 70 2.437 -11.435 -4.366 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.230 -12.557 -5.463 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.662 -11.521 -6.809 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.200 -13.787 -7.872 1.00 0.00 H new ATOM 0 HD22 ASN A 70 1.979 -12.582 -8.296 1.00 0.00 H new ATOM 1146 N PRO A 71 2.827 -8.899 -5.042 1.00 0.00 N ATOM 1147 CA PRO A 71 3.438 -7.691 -5.664 1.00 0.00 C ATOM 1148 C PRO A 71 4.332 -8.037 -6.862 1.00 0.00 C ATOM 1149 O PRO A 71 4.645 -7.194 -7.678 1.00 0.00 O ATOM 1150 CB PRO A 71 4.281 -7.078 -4.546 1.00 0.00 C ATOM 1151 CG PRO A 71 3.729 -7.616 -3.268 1.00 0.00 C ATOM 1152 CD PRO A 71 3.029 -8.937 -3.591 1.00 0.00 C ATOM 0 HA PRO A 71 2.673 -7.019 -6.053 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.332 -7.345 -4.659 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.224 -5.990 -4.567 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.526 -7.772 -2.541 1.00 0.00 H new ATOM 0 HG3 PRO A 71 3.028 -6.909 -2.825 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.639 -9.792 -3.297 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.081 -9.024 -3.060 1.00 0.00 H new ATOM 1160 N ALA A 72 4.757 -9.268 -6.964 1.00 0.00 N ATOM 1161 CA ALA A 72 5.643 -9.661 -8.099 1.00 0.00 C ATOM 1162 C ALA A 72 4.924 -9.443 -9.434 1.00 0.00 C ATOM 1163 O ALA A 72 5.197 -8.499 -10.147 1.00 0.00 O ATOM 1164 CB ALA A 72 6.017 -11.138 -7.961 1.00 0.00 C ATOM 0 H ALA A 72 4.529 -10.018 -6.311 1.00 0.00 H new ATOM 0 HA ALA A 72 6.542 -9.046 -8.076 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.664 -11.428 -8.789 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.541 -11.294 -7.018 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.112 -11.746 -7.978 1.00 0.00 H new ATOM 1170 N LYS A 73 4.011 -10.310 -9.779 1.00 0.00 N ATOM 1171 CA LYS A 73 3.282 -10.153 -11.071 1.00 0.00 C ATOM 1172 C LYS A 73 2.584 -8.794 -11.100 1.00 0.00 C ATOM 1173 O LYS A 73 2.439 -8.178 -12.137 1.00 0.00 O ATOM 1174 CB LYS A 73 2.240 -11.264 -11.207 1.00 0.00 C ATOM 1175 CG LYS A 73 2.947 -12.620 -11.290 1.00 0.00 C ATOM 1176 CD LYS A 73 1.913 -13.720 -11.541 1.00 0.00 C ATOM 1177 CE LYS A 73 2.602 -15.085 -11.504 1.00 0.00 C ATOM 1178 NZ LYS A 73 2.159 -15.833 -10.293 1.00 0.00 N ATOM 0 H LYS A 73 3.738 -11.120 -9.223 1.00 0.00 H new ATOM 0 HA LYS A 73 3.990 -10.216 -11.897 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.562 -11.247 -10.354 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.635 -11.102 -12.099 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.684 -12.609 -12.093 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.487 -12.818 -10.364 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.129 -13.676 -10.785 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.433 -13.569 -12.508 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.359 -15.651 -12.403 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.684 -14.958 -11.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.627 -16.761 -10.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.412 -15.294 -9.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.128 -15.966 -10.325 1.00 0.00 H new ATOM 1192 N TYR A 74 2.147 -8.325 -9.967 1.00 0.00 N ATOM 1193 CA TYR A 74 1.454 -7.009 -9.915 1.00 0.00 C ATOM 1194 C TYR A 74 2.503 -5.891 -9.944 1.00 0.00 C ATOM 1195 O TYR A 74 3.432 -5.878 -9.159 1.00 0.00 O ATOM 1196 CB TYR A 74 0.655 -6.943 -8.615 1.00 0.00 C ATOM 1197 CG TYR A 74 -0.239 -5.727 -8.597 1.00 0.00 C ATOM 1198 CD1 TYR A 74 0.237 -4.517 -8.084 1.00 0.00 C ATOM 1199 CD2 TYR A 74 -1.557 -5.820 -9.059 1.00 0.00 C ATOM 1200 CE1 TYR A 74 -0.603 -3.405 -8.030 1.00 0.00 C ATOM 1201 CE2 TYR A 74 -2.396 -4.700 -9.013 1.00 0.00 C ATOM 1202 CZ TYR A 74 -1.915 -3.494 -8.495 1.00 0.00 C ATOM 1203 OH TYR A 74 -2.736 -2.391 -8.425 1.00 0.00 O ATOM 0 H TYR A 74 2.240 -8.799 -9.069 1.00 0.00 H new ATOM 0 HA TYR A 74 0.785 -6.889 -10.767 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.052 -7.845 -8.507 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.337 -6.912 -7.765 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.255 -4.443 -7.730 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.927 -6.756 -9.451 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.237 -2.472 -7.627 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.411 -4.768 -9.376 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.348 -1.733 -7.811 1.00 0.00 H new ATOM 1213 N ILE A 75 2.372 -4.963 -10.852 1.00 0.00 N ATOM 1214 CA ILE A 75 3.369 -3.856 -10.943 1.00 0.00 C ATOM 1215 C ILE A 75 4.782 -4.433 -10.827 1.00 0.00 C ATOM 1216 O ILE A 75 5.512 -4.136 -9.903 1.00 0.00 O ATOM 1217 CB ILE A 75 3.136 -2.843 -9.821 1.00 0.00 C ATOM 1218 CG1 ILE A 75 1.849 -2.062 -10.100 1.00 0.00 C ATOM 1219 CG2 ILE A 75 4.322 -1.869 -9.756 1.00 0.00 C ATOM 1220 CD1 ILE A 75 1.574 -1.098 -8.944 1.00 0.00 C ATOM 0 H ILE A 75 1.617 -4.923 -11.536 1.00 0.00 H new ATOM 0 HA ILE A 75 3.256 -3.353 -11.903 1.00 0.00 H new ATOM 0 HB ILE A 75 3.045 -3.368 -8.870 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.943 -1.508 -11.034 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.012 -2.750 -10.220 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.156 -1.147 -8.957 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.239 -2.425 -9.559 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.414 -1.343 -10.706 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.658 -0.543 -9.144 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.462 -1.663 -8.018 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.406 -0.401 -8.845 1.00 0.00 H new ATOM 1232 N PRO A 76 5.158 -5.255 -11.765 1.00 0.00 N ATOM 1233 CA PRO A 76 6.503 -5.894 -11.790 1.00 0.00 C ATOM 1234 C PRO A 76 7.591 -4.948 -12.311 1.00 0.00 C ATOM 1235 O PRO A 76 7.350 -4.130 -13.175 1.00 0.00 O ATOM 1236 CB PRO A 76 6.318 -7.066 -12.754 1.00 0.00 C ATOM 1237 CG PRO A 76 5.224 -6.645 -13.682 1.00 0.00 C ATOM 1238 CD PRO A 76 4.335 -5.664 -12.912 1.00 0.00 C ATOM 0 HA PRO A 76 6.832 -6.186 -10.793 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.238 -7.275 -13.300 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.051 -7.977 -12.219 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.636 -6.173 -14.574 1.00 0.00 H new ATOM 0 HG3 PRO A 76 4.647 -7.508 -14.015 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.058 -4.809 -13.529 1.00 0.00 H new ATOM 0 HD3 PRO A 76 3.408 -6.137 -12.588 1.00 0.00 H new ATOM 1246 N GLY A 77 8.788 -5.065 -11.803 1.00 0.00 N ATOM 1247 CA GLY A 77 9.888 -4.184 -12.286 1.00 0.00 C ATOM 1248 C GLY A 77 10.008 -2.934 -11.408 1.00 0.00 C ATOM 1249 O GLY A 77 10.632 -1.964 -11.792 1.00 0.00 O ATOM 0 H GLY A 77 9.051 -5.731 -11.076 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.830 -4.732 -12.277 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.699 -3.892 -13.319 1.00 0.00 H new ATOM 1253 N THR A 78 9.426 -2.942 -10.235 1.00 0.00 N ATOM 1254 CA THR A 78 9.527 -1.741 -9.351 1.00 0.00 C ATOM 1255 C THR A 78 10.479 -2.029 -8.187 1.00 0.00 C ATOM 1256 O THR A 78 10.635 -3.156 -7.760 1.00 0.00 O ATOM 1257 CB THR A 78 8.138 -1.371 -8.809 1.00 0.00 C ATOM 1258 OG1 THR A 78 8.228 -0.152 -8.085 1.00 0.00 O ATOM 1259 CG2 THR A 78 7.607 -2.474 -7.888 1.00 0.00 C ATOM 0 H THR A 78 8.890 -3.721 -9.854 1.00 0.00 H new ATOM 0 HA THR A 78 9.917 -0.905 -9.932 1.00 0.00 H new ATOM 0 HB THR A 78 7.451 -1.257 -9.648 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.343 0.089 -7.739 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.622 -2.193 -7.514 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.531 -3.408 -8.445 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.289 -2.607 -7.048 1.00 0.00 H new ATOM 1267 N LYS A 79 11.115 -1.012 -7.674 1.00 0.00 N ATOM 1268 CA LYS A 79 12.060 -1.205 -6.537 1.00 0.00 C ATOM 1269 C LYS A 79 11.316 -1.830 -5.353 1.00 0.00 C ATOM 1270 O LYS A 79 11.887 -2.541 -4.551 1.00 0.00 O ATOM 1271 CB LYS A 79 12.627 0.153 -6.118 1.00 0.00 C ATOM 1272 CG LYS A 79 13.426 0.751 -7.277 1.00 0.00 C ATOM 1273 CD LYS A 79 14.117 2.035 -6.814 1.00 0.00 C ATOM 1274 CE LYS A 79 13.064 3.112 -6.534 1.00 0.00 C ATOM 1275 NZ LYS A 79 13.712 4.455 -6.550 1.00 0.00 N ATOM 0 H LYS A 79 11.020 -0.049 -7.996 1.00 0.00 H new ATOM 0 HA LYS A 79 12.871 -1.865 -6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.817 0.826 -5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.266 0.038 -5.243 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.167 0.034 -7.630 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.764 0.964 -8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.702 1.841 -5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.812 2.382 -7.578 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.275 3.068 -7.284 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.594 2.934 -5.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.998 5.187 -6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.450 4.493 -5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.140 4.623 -7.483 1.00 0.00 H new ATOM 1289 N MET A 80 10.047 -1.557 -5.237 1.00 0.00 N ATOM 1290 CA MET A 80 9.257 -2.115 -4.104 1.00 0.00 C ATOM 1291 C MET A 80 9.291 -3.646 -4.136 1.00 0.00 C ATOM 1292 O MET A 80 9.221 -4.260 -5.181 1.00 0.00 O ATOM 1293 CB MET A 80 7.809 -1.645 -4.229 1.00 0.00 C ATOM 1294 CG MET A 80 7.001 -2.163 -3.038 1.00 0.00 C ATOM 1295 SD MET A 80 5.401 -1.316 -2.963 1.00 0.00 S ATOM 1296 CE MET A 80 4.962 -1.411 -4.717 1.00 0.00 C ATOM 0 H MET A 80 9.520 -0.968 -5.882 1.00 0.00 H new ATOM 0 HA MET A 80 9.688 -1.770 -3.164 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.770 -0.556 -4.263 1.00 0.00 H new ATOM 0 HB3 MET A 80 7.377 -2.008 -5.161 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.849 -3.238 -3.131 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.554 -1.998 -2.113 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.963 -1.000 -4.865 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.680 -0.838 -5.303 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.978 -2.452 -5.040 1.00 0.00 H new ATOM 1306 N ALA A 81 9.395 -4.263 -2.988 1.00 0.00 N ATOM 1307 CA ALA A 81 9.428 -5.753 -2.939 1.00 0.00 C ATOM 1308 C ALA A 81 9.303 -6.220 -1.485 1.00 0.00 C ATOM 1309 O ALA A 81 10.282 -6.335 -0.775 1.00 0.00 O ATOM 1310 CB ALA A 81 10.748 -6.256 -3.521 1.00 0.00 C ATOM 0 H ALA A 81 9.458 -3.798 -2.082 1.00 0.00 H new ATOM 0 HA ALA A 81 8.598 -6.152 -3.523 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.770 -7.345 -3.484 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.839 -5.926 -4.556 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.578 -5.856 -2.939 1.00 0.00 H new ATOM 1316 N PHE A 82 8.107 -6.489 -1.041 1.00 0.00 N ATOM 1317 CA PHE A 82 7.916 -6.951 0.366 1.00 0.00 C ATOM 1318 C PHE A 82 6.548 -7.620 0.507 1.00 0.00 C ATOM 1319 O PHE A 82 6.420 -8.679 1.086 1.00 0.00 O ATOM 1320 CB PHE A 82 7.975 -5.757 1.317 1.00 0.00 C ATOM 1321 CG PHE A 82 6.859 -5.885 2.330 1.00 0.00 C ATOM 1322 CD1 PHE A 82 7.068 -6.599 3.516 1.00 0.00 C ATOM 1323 CD2 PHE A 82 5.614 -5.297 2.077 1.00 0.00 C ATOM 1324 CE1 PHE A 82 6.032 -6.725 4.449 1.00 0.00 C ATOM 1325 CE2 PHE A 82 4.576 -5.424 3.011 1.00 0.00 C ATOM 1326 CZ PHE A 82 4.785 -6.138 4.196 1.00 0.00 C ATOM 0 H PHE A 82 7.252 -6.409 -1.591 1.00 0.00 H new ATOM 0 HA PHE A 82 8.706 -7.660 0.613 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.941 -5.724 1.822 1.00 0.00 H new ATOM 0 HB3 PHE A 82 7.874 -4.826 0.760 1.00 0.00 H new ATOM 0 HD1 PHE A 82 8.029 -7.053 3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.453 -4.746 1.162 1.00 0.00 H new ATOM 0 HE1 PHE A 82 6.194 -7.275 5.364 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.615 -4.971 2.816 1.00 0.00 H new ATOM 0 HZ PHE A 82 3.986 -6.237 4.915 1.00 0.00 H new ATOM 1336 N GLY A 83 5.524 -6.998 -0.011 1.00 0.00 N ATOM 1337 CA GLY A 83 4.157 -7.580 0.100 1.00 0.00 C ATOM 1338 C GLY A 83 4.212 -9.091 -0.130 1.00 0.00 C ATOM 1339 O GLY A 83 5.189 -9.621 -0.621 1.00 0.00 O ATOM 0 H GLY A 83 5.576 -6.109 -0.508 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.742 -7.369 1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.495 -7.116 -0.631 1.00 0.00 H new ATOM 1343 N GLY A 84 3.170 -9.787 0.234 1.00 0.00 N ATOM 1344 CA GLY A 84 3.148 -11.267 0.052 1.00 0.00 C ATOM 1345 C GLY A 84 2.812 -11.925 1.392 1.00 0.00 C ATOM 1346 O GLY A 84 3.428 -12.892 1.793 1.00 0.00 O ATOM 0 H GLY A 84 2.328 -9.392 0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.409 -11.544 -0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.115 -11.617 -0.308 1.00 0.00 H new ATOM 1350 N LEU A 85 1.842 -11.398 2.089 1.00 0.00 N ATOM 1351 CA LEU A 85 1.466 -11.981 3.408 1.00 0.00 C ATOM 1352 C LEU A 85 0.425 -13.082 3.196 1.00 0.00 C ATOM 1353 O LEU A 85 -0.484 -12.944 2.402 1.00 0.00 O ATOM 1354 CB LEU A 85 0.874 -10.881 4.291 1.00 0.00 C ATOM 1355 CG LEU A 85 1.819 -9.677 4.307 1.00 0.00 C ATOM 1356 CD1 LEU A 85 1.247 -8.591 5.217 1.00 0.00 C ATOM 1357 CD2 LEU A 85 3.191 -10.106 4.831 1.00 0.00 C ATOM 0 H LEU A 85 1.293 -10.588 1.801 1.00 0.00 H new ATOM 0 HA LEU A 85 2.347 -12.403 3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.105 -10.584 3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.725 -11.254 5.304 1.00 0.00 H new ATOM 0 HG LEU A 85 1.923 -9.288 3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.920 -7.734 5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.271 -8.281 4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.141 -8.983 6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.862 -9.247 4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.088 -10.498 5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.602 -10.880 4.183 1.00 0.00 H new ATOM 1369 N LYS A 86 0.553 -14.177 3.895 1.00 0.00 N ATOM 1370 CA LYS A 86 -0.429 -15.285 3.725 1.00 0.00 C ATOM 1371 C LYS A 86 -1.591 -15.115 4.708 1.00 0.00 C ATOM 1372 O LYS A 86 -2.533 -15.882 4.701 1.00 0.00 O ATOM 1373 CB LYS A 86 0.265 -16.624 3.985 1.00 0.00 C ATOM 1374 CG LYS A 86 1.389 -16.822 2.966 1.00 0.00 C ATOM 1375 CD LYS A 86 1.930 -18.249 3.074 1.00 0.00 C ATOM 1376 CE LYS A 86 2.587 -18.444 4.441 1.00 0.00 C ATOM 1377 NZ LYS A 86 3.576 -19.554 4.363 1.00 0.00 N ATOM 0 H LYS A 86 1.293 -14.352 4.575 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.818 -15.263 2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.669 -16.646 4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.455 -17.439 3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.017 -16.638 1.958 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.189 -16.104 3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.121 -18.967 2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.654 -18.436 2.281 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.081 -17.524 4.753 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.829 -18.670 5.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.023 -19.687 5.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.092 -20.431 4.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.305 -19.321 3.659 1.00 0.00 H new ATOM 1391 N LYS A 87 -1.540 -14.121 5.554 1.00 0.00 N ATOM 1392 CA LYS A 87 -2.652 -13.923 6.525 1.00 0.00 C ATOM 1393 C LYS A 87 -3.619 -12.864 6.001 1.00 0.00 C ATOM 1394 O LYS A 87 -3.230 -11.764 5.661 1.00 0.00 O ATOM 1395 CB LYS A 87 -2.090 -13.474 7.874 1.00 0.00 C ATOM 1396 CG LYS A 87 -1.255 -14.602 8.477 1.00 0.00 C ATOM 1397 CD LYS A 87 -0.859 -14.225 9.903 1.00 0.00 C ATOM 1398 CE LYS A 87 0.073 -15.294 10.478 1.00 0.00 C ATOM 1399 NZ LYS A 87 0.511 -14.890 11.844 1.00 0.00 N ATOM 0 H LYS A 87 -0.781 -13.442 5.614 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.183 -14.867 6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.477 -12.582 7.746 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.904 -13.208 8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.824 -15.532 8.478 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.364 -14.775 7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.363 -13.255 9.909 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.749 -14.131 10.525 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.440 -16.255 10.519 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.940 -15.422 9.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.144 -15.617 12.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.016 -13.982 11.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.321 -14.789 12.460 1.00 0.00 H new ATOM 1413 N GLU A 88 -4.878 -13.192 5.932 1.00 0.00 N ATOM 1414 CA GLU A 88 -5.881 -12.210 5.431 1.00 0.00 C ATOM 1415 C GLU A 88 -6.279 -11.244 6.551 1.00 0.00 C ATOM 1416 O GLU A 88 -6.458 -10.063 6.329 1.00 0.00 O ATOM 1417 CB GLU A 88 -7.123 -12.960 4.943 1.00 0.00 C ATOM 1418 CG GLU A 88 -6.755 -13.833 3.742 1.00 0.00 C ATOM 1419 CD GLU A 88 -8.009 -14.529 3.213 1.00 0.00 C ATOM 1420 OE1 GLU A 88 -9.032 -14.447 3.873 1.00 0.00 O ATOM 1421 OE2 GLU A 88 -7.926 -15.133 2.156 1.00 0.00 O ATOM 0 H GLU A 88 -5.258 -14.100 6.201 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.444 -11.642 4.610 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.526 -13.578 5.745 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.903 -12.251 4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.308 -13.222 2.958 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.010 -14.574 4.032 1.00 0.00 H new ATOM 1428 N LYS A 89 -6.437 -11.738 7.750 1.00 0.00 N ATOM 1429 CA LYS A 89 -6.844 -10.848 8.875 1.00 0.00 C ATOM 1430 C LYS A 89 -5.799 -9.750 9.085 1.00 0.00 C ATOM 1431 O LYS A 89 -6.126 -8.586 9.200 1.00 0.00 O ATOM 1432 CB LYS A 89 -6.972 -11.676 10.156 1.00 0.00 C ATOM 1433 CG LYS A 89 -8.105 -12.693 9.994 1.00 0.00 C ATOM 1434 CD LYS A 89 -8.309 -13.442 11.311 1.00 0.00 C ATOM 1435 CE LYS A 89 -9.356 -14.541 11.118 1.00 0.00 C ATOM 1436 NZ LYS A 89 -10.448 -14.369 12.116 1.00 0.00 N ATOM 0 H LYS A 89 -6.302 -12.718 7.998 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.802 -10.387 8.634 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.034 -12.190 10.365 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.173 -11.023 11.005 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.025 -12.185 9.706 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.866 -13.396 9.196 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.367 -13.877 11.643 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.632 -12.750 12.089 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.762 -14.497 10.108 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.895 -15.522 11.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.159 -15.116 11.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.054 -14.432 13.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.895 -13.439 11.985 1.00 0.00 H new ATOM 1450 N ASP A 90 -4.544 -10.105 9.138 1.00 0.00 N ATOM 1451 CA ASP A 90 -3.492 -9.074 9.341 1.00 0.00 C ATOM 1452 C ASP A 90 -3.470 -8.125 8.143 1.00 0.00 C ATOM 1453 O ASP A 90 -3.355 -6.924 8.286 1.00 0.00 O ATOM 1454 CB ASP A 90 -2.134 -9.762 9.474 1.00 0.00 C ATOM 1455 CG ASP A 90 -2.101 -10.584 10.763 1.00 0.00 C ATOM 1456 OD1 ASP A 90 -2.990 -10.407 11.579 1.00 0.00 O ATOM 1457 OD2 ASP A 90 -1.188 -11.380 10.914 1.00 0.00 O ATOM 0 H ASP A 90 -4.204 -11.063 9.050 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.705 -8.506 10.247 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.956 -10.408 8.614 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.337 -9.018 9.484 1.00 0.00 H new ATOM 1462 N ARG A 91 -3.578 -8.659 6.958 1.00 0.00 N ATOM 1463 CA ARG A 91 -3.562 -7.801 5.742 1.00 0.00 C ATOM 1464 C ARG A 91 -4.746 -6.831 5.765 1.00 0.00 C ATOM 1465 O ARG A 91 -4.618 -5.673 5.415 1.00 0.00 O ATOM 1466 CB ARG A 91 -3.661 -8.693 4.503 1.00 0.00 C ATOM 1467 CG ARG A 91 -3.614 -7.829 3.242 1.00 0.00 C ATOM 1468 CD ARG A 91 -3.741 -8.729 2.012 1.00 0.00 C ATOM 1469 NE ARG A 91 -5.013 -9.500 2.089 1.00 0.00 N ATOM 1470 CZ ARG A 91 -6.161 -8.885 1.991 1.00 0.00 C ATOM 1471 NH1 ARG A 91 -6.199 -7.594 1.814 1.00 0.00 N ATOM 1472 NH2 ARG A 91 -7.273 -9.565 2.067 1.00 0.00 N ATOM 0 H ARG A 91 -3.677 -9.658 6.780 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.636 -7.227 5.718 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.842 -9.412 4.494 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.588 -9.266 4.529 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.422 -7.097 3.257 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.679 -7.270 3.204 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.723 -8.126 1.104 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.893 -9.411 1.958 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.987 -10.511 2.219 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.331 -7.062 1.752 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.097 -7.116 1.738 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.245 -10.576 2.203 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.170 -9.086 1.991 1.00 0.00 H new ATOM 1486 N ASN A 92 -5.900 -7.293 6.162 1.00 0.00 N ATOM 1487 CA ASN A 92 -7.091 -6.400 6.193 1.00 0.00 C ATOM 1488 C ASN A 92 -6.823 -5.192 7.094 1.00 0.00 C ATOM 1489 O ASN A 92 -7.190 -4.078 6.778 1.00 0.00 O ATOM 1490 CB ASN A 92 -8.287 -7.183 6.735 1.00 0.00 C ATOM 1491 CG ASN A 92 -8.602 -8.349 5.796 1.00 0.00 C ATOM 1492 OD1 ASN A 92 -8.799 -9.464 6.239 1.00 0.00 O ATOM 1493 ND2 ASN A 92 -8.660 -8.139 4.510 1.00 0.00 N ATOM 0 H ASN A 92 -6.069 -8.252 6.466 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.302 -6.047 5.184 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.067 -7.557 7.735 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.154 -6.528 6.823 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.871 -8.910 3.876 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.495 -7.204 4.138 1.00 0.00 H new ATOM 1500 N ASP A 93 -6.189 -5.401 8.216 1.00 0.00 N ATOM 1501 CA ASP A 93 -5.904 -4.263 9.129 1.00 0.00 C ATOM 1502 C ASP A 93 -4.974 -3.264 8.439 1.00 0.00 C ATOM 1503 O ASP A 93 -5.104 -2.067 8.597 1.00 0.00 O ATOM 1504 CB ASP A 93 -5.231 -4.795 10.394 1.00 0.00 C ATOM 1505 CG ASP A 93 -6.220 -5.662 11.174 1.00 0.00 C ATOM 1506 OD1 ASP A 93 -7.396 -5.616 10.857 1.00 0.00 O ATOM 1507 OD2 ASP A 93 -5.782 -6.360 12.076 1.00 0.00 O ATOM 0 H ASP A 93 -5.857 -6.310 8.538 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.837 -3.762 9.388 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.349 -5.379 10.131 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.891 -3.965 11.014 1.00 0.00 H new ATOM 1512 N LEU A 94 -4.026 -3.749 7.686 1.00 0.00 N ATOM 1513 CA LEU A 94 -3.073 -2.831 7.001 1.00 0.00 C ATOM 1514 C LEU A 94 -3.817 -1.885 6.053 1.00 0.00 C ATOM 1515 O LEU A 94 -3.561 -0.696 6.027 1.00 0.00 O ATOM 1516 CB LEU A 94 -2.071 -3.664 6.200 1.00 0.00 C ATOM 1517 CG LEU A 94 -1.034 -2.741 5.560 1.00 0.00 C ATOM 1518 CD1 LEU A 94 -0.218 -2.055 6.655 1.00 0.00 C ATOM 1519 CD2 LEU A 94 -0.102 -3.566 4.673 1.00 0.00 C ATOM 0 H LEU A 94 -3.870 -4.742 7.515 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.556 -2.234 7.752 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.578 -4.385 6.852 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.590 -4.234 5.430 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.540 -1.986 4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.522 -1.397 6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.882 -1.469 7.291 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.289 -2.809 7.257 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.639 -2.911 4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.404 -4.319 5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.683 -4.058 3.893 1.00 0.00 H new ATOM 1531 N ILE A 95 -4.726 -2.392 5.266 1.00 0.00 N ATOM 1532 CA ILE A 95 -5.462 -1.505 4.320 1.00 0.00 C ATOM 1533 C ILE A 95 -6.334 -0.521 5.107 1.00 0.00 C ATOM 1534 O ILE A 95 -6.391 0.656 4.806 1.00 0.00 O ATOM 1535 CB ILE A 95 -6.343 -2.352 3.401 1.00 0.00 C ATOM 1536 CG1 ILE A 95 -5.481 -3.393 2.682 1.00 0.00 C ATOM 1537 CG2 ILE A 95 -7.015 -1.453 2.359 1.00 0.00 C ATOM 1538 CD1 ILE A 95 -6.375 -4.308 1.840 1.00 0.00 C ATOM 0 H ILE A 95 -4.990 -3.377 5.236 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.745 -0.947 3.718 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.105 -2.853 3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.749 -2.896 2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.923 -3.982 3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.642 -2.059 1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.630 -0.708 2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.251 -0.951 1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.759 -5.048 1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.090 -4.815 2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.913 -3.712 1.103 1.00 0.00 H new ATOM 1550 N THR A 96 -7.024 -0.996 6.108 1.00 0.00 N ATOM 1551 CA THR A 96 -7.904 -0.099 6.909 1.00 0.00 C ATOM 1552 C THR A 96 -7.066 0.957 7.639 1.00 0.00 C ATOM 1553 O THR A 96 -7.459 2.102 7.753 1.00 0.00 O ATOM 1554 CB THR A 96 -8.672 -0.931 7.939 1.00 0.00 C ATOM 1555 OG1 THR A 96 -9.328 -2.006 7.284 1.00 0.00 O ATOM 1556 CG2 THR A 96 -9.708 -0.049 8.639 1.00 0.00 C ATOM 0 H THR A 96 -7.016 -1.971 6.406 1.00 0.00 H new ATOM 0 HA THR A 96 -8.601 0.402 6.238 1.00 0.00 H new ATOM 0 HB THR A 96 -7.976 -1.327 8.678 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.691 -2.735 7.133 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.255 -0.642 9.372 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.203 0.776 9.142 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.405 0.349 7.901 1.00 0.00 H new ATOM 1564 N TYR A 97 -5.929 0.581 8.157 1.00 0.00 N ATOM 1565 CA TYR A 97 -5.090 1.564 8.902 1.00 0.00 C ATOM 1566 C TYR A 97 -4.710 2.744 8.000 1.00 0.00 C ATOM 1567 O TYR A 97 -4.768 3.887 8.413 1.00 0.00 O ATOM 1568 CB TYR A 97 -3.821 0.874 9.406 1.00 0.00 C ATOM 1569 CG TYR A 97 -3.003 1.862 10.203 1.00 0.00 C ATOM 1570 CD1 TYR A 97 -3.318 2.112 11.543 1.00 0.00 C ATOM 1571 CD2 TYR A 97 -1.931 2.530 9.599 1.00 0.00 C ATOM 1572 CE1 TYR A 97 -2.561 3.029 12.282 1.00 0.00 C ATOM 1573 CE2 TYR A 97 -1.173 3.449 10.338 1.00 0.00 C ATOM 1574 CZ TYR A 97 -1.489 3.698 11.679 1.00 0.00 C ATOM 1575 OH TYR A 97 -0.744 4.603 12.406 1.00 0.00 O ATOM 0 H TYR A 97 -5.545 -0.362 8.097 1.00 0.00 H new ATOM 0 HA TYR A 97 -5.664 1.943 9.747 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.081 0.015 10.025 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -3.239 0.496 8.565 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -4.146 1.597 12.008 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -1.688 2.337 8.564 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -2.804 3.220 13.317 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -0.346 3.965 9.873 1.00 0.00 H new ATOM 0 HH TYR A 97 -0.038 4.977 11.838 1.00 0.00 H new ATOM 1585 N LEU A 98 -4.321 2.495 6.778 1.00 0.00 N ATOM 1586 CA LEU A 98 -3.947 3.630 5.888 1.00 0.00 C ATOM 1587 C LEU A 98 -5.153 4.545 5.694 1.00 0.00 C ATOM 1588 O LEU A 98 -5.018 5.751 5.612 1.00 0.00 O ATOM 1589 CB LEU A 98 -3.472 3.106 4.528 1.00 0.00 C ATOM 1590 CG LEU A 98 -2.154 2.342 4.689 1.00 0.00 C ATOM 1591 CD1 LEU A 98 -1.680 1.852 3.319 1.00 0.00 C ATOM 1592 CD2 LEU A 98 -1.093 3.271 5.279 1.00 0.00 C ATOM 0 H LEU A 98 -4.247 1.567 6.362 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.135 4.190 6.351 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.230 2.452 4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.337 3.937 3.836 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.309 1.492 5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.742 1.308 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.433 1.192 2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.527 2.707 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.156 2.727 5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.941 4.120 4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.425 3.630 6.253 1.00 0.00 H new ATOM 1604 N LYS A 99 -6.332 3.995 5.628 1.00 0.00 N ATOM 1605 CA LYS A 99 -7.529 4.852 5.447 1.00 0.00 C ATOM 1606 C LYS A 99 -7.587 5.879 6.579 1.00 0.00 C ATOM 1607 O LYS A 99 -7.943 7.023 6.378 1.00 0.00 O ATOM 1608 CB LYS A 99 -8.788 3.987 5.489 1.00 0.00 C ATOM 1609 CG LYS A 99 -8.817 3.054 4.280 1.00 0.00 C ATOM 1610 CD LYS A 99 -10.144 2.294 4.263 1.00 0.00 C ATOM 1611 CE LYS A 99 -10.161 1.322 3.085 1.00 0.00 C ATOM 1612 NZ LYS A 99 -11.081 0.190 3.391 1.00 0.00 N ATOM 0 H LYS A 99 -6.516 2.994 5.691 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.470 5.362 4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.809 3.404 6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.675 4.620 5.492 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.701 3.627 3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.983 2.353 4.326 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.276 1.750 5.198 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.975 2.994 4.182 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.487 1.835 2.180 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.156 0.947 2.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.798 -0.646 2.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.033 -0.032 4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.055 0.456 3.140 1.00 0.00 H new ATOM 1626 N LYS A 100 -7.232 5.477 7.771 1.00 0.00 N ATOM 1627 CA LYS A 100 -7.261 6.427 8.917 1.00 0.00 C ATOM 1628 C LYS A 100 -6.331 7.598 8.623 1.00 0.00 C ATOM 1629 O LYS A 100 -6.668 8.748 8.831 1.00 0.00 O ATOM 1630 CB LYS A 100 -6.772 5.709 10.172 1.00 0.00 C ATOM 1631 CG LYS A 100 -7.748 4.593 10.540 1.00 0.00 C ATOM 1632 CD LYS A 100 -7.271 3.923 11.827 1.00 0.00 C ATOM 1633 CE LYS A 100 -8.247 2.813 12.219 1.00 0.00 C ATOM 1634 NZ LYS A 100 -8.209 1.732 11.193 1.00 0.00 N ATOM 0 H LYS A 100 -6.924 4.532 7.998 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.277 6.791 9.067 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.778 5.295 10.002 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.685 6.416 10.997 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.751 4.999 10.675 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.806 3.862 9.734 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.272 3.510 11.685 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.201 4.659 12.628 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.983 2.410 13.197 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.257 3.215 12.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.795 0.933 11.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.578 2.096 10.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.228 1.412 11.062 1.00 0.00 H new ATOM 1648 N ALA A 101 -5.159 7.311 8.138 1.00 0.00 N ATOM 1649 CA ALA A 101 -4.194 8.402 7.824 1.00 0.00 C ATOM 1650 C ALA A 101 -4.797 9.319 6.760 1.00 0.00 C ATOM 1651 O ALA A 101 -4.634 10.523 6.799 1.00 0.00 O ATOM 1652 CB ALA A 101 -2.891 7.794 7.296 1.00 0.00 C ATOM 0 H ALA A 101 -4.825 6.367 7.944 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.986 8.977 8.726 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.184 8.591 7.066 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.463 7.137 8.053 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.097 7.220 6.393 1.00 0.00 H new