USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 581 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 46 THR OG1 : rot -168:sc= 1.68 USER MOD Set 1.2: A 50 THR OG1 : rot -114:sc= 1.46 USER MOD Set 2.1: A 26 MET CE :methyl -111:sc= -0.426 (180deg=-2.78!) USER MOD Set 2.2: A 54 MET CE :methyl 156:sc= 0 (180deg=0) USER MOD Set 3.1: A 9 THR OG1 : rot -77:sc= 0.863 USER MOD Set 3.2: A 19 HIS : no HD1:sc= -0.521! C(o=0.34!,f=-22!) USER MOD Single : A 1 VAL N :NH3+ -163:sc= -0.0793 (180deg=-0.464) USER MOD Single : A 3 MET CE :methyl -110:sc= -1.1 (180deg=-2.58!) USER MOD Single : A 4 SER OG : rot 79:sc= 0.309 USER MOD Single : A 5 ASN : amide:sc= -1.2 K(o=-1.2,f=-0.66) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= -0.0116 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 79:sc= 1.15 USER MOD Single : A 17 LYS NZ :NH3+ 167:sc= -0.0349 (180deg=-0.276) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 178:sc= 1.19 (180deg=1.18) USER MOD Single : A 28 MET CE :methyl -172:sc= -0.105 (180deg=-0.252) USER MOD Single : A 30 ASN : amide:sc= -0.85 K(o=-0.85,f=-12!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -105:sc= -1.58! (180deg=-4.29!) USER MOD Single : A 35 SER OG : rot 38:sc= 0.0808 USER MOD Single : A 36 MET CE :methyl 157:sc= -0.176 (180deg=-0.844) USER MOD Single : A 37 ASN : amide:sc=-0.00698 X(o=-0.007,f=-0.023) USER MOD Single : A 38 MET CE :methyl -161:sc=-0.00431 (180deg=-0.907) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -158:sc= -0.211 (180deg=-0.965) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -157:sc= 0.253 (180deg=-0.18) USER MOD Single : A 57 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.073) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.015) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 13.683 1.119 3.467 1.00 2.42 N ATOM 2 CA VAL A 1 12.354 1.508 3.993 1.00 1.98 C ATOM 3 C VAL A 1 12.440 1.810 5.482 1.00 1.83 C ATOM 4 O VAL A 1 12.790 0.938 6.277 1.00 2.26 O ATOM 5 CB VAL A 1 11.310 0.393 3.762 1.00 1.77 C ATOM 6 CG1 VAL A 1 9.953 0.793 4.318 1.00 2.46 C ATOM 7 CG2 VAL A 1 11.198 0.062 2.285 1.00 1.89 C ATOM 0 H1 VAL A 1 13.682 1.196 2.430 1.00 2.42 H new ATOM 0 H2 VAL A 1 14.410 1.750 3.860 1.00 2.42 H new ATOM 0 H3 VAL A 1 13.891 0.138 3.741 1.00 2.42 H new ATOM 0 HA VAL A 1 12.038 2.401 3.454 1.00 1.98 H new ATOM 0 HB VAL A 1 11.647 -0.497 4.293 1.00 1.77 H new ATOM 0 HG11 VAL A 1 9.237 -0.010 4.142 1.00 2.46 H new ATOM 0 HG12 VAL A 1 10.038 0.975 5.389 1.00 2.46 H new ATOM 0 HG13 VAL A 1 9.610 1.701 3.822 1.00 2.46 H new ATOM 0 HG21 VAL A 1 10.458 -0.725 2.144 1.00 1.89 H new ATOM 0 HG22 VAL A 1 10.891 0.952 1.735 1.00 1.89 H new ATOM 0 HG23 VAL A 1 12.165 -0.278 1.914 1.00 1.89 H new ATOM 19 N ASP A 2 12.132 3.042 5.864 1.00 1.77 N ATOM 20 CA ASP A 2 12.153 3.421 7.273 1.00 1.63 C ATOM 21 C ASP A 2 10.805 3.148 7.924 1.00 1.22 C ATOM 22 O ASP A 2 9.756 3.354 7.315 1.00 1.60 O ATOM 23 CB ASP A 2 12.536 4.895 7.438 1.00 2.00 C ATOM 24 CG ASP A 2 12.349 5.396 8.860 1.00 2.77 C ATOM 25 OD1 ASP A 2 12.723 4.680 9.813 1.00 3.11 O ATOM 26 OD2 ASP A 2 11.800 6.501 9.030 1.00 3.48 O ATOM 0 H ASP A 2 11.867 3.792 5.225 1.00 1.77 H new ATOM 0 HA ASP A 2 12.908 2.814 7.772 1.00 1.63 H new ATOM 0 HB2 ASP A 2 13.577 5.030 7.144 1.00 2.00 H new ATOM 0 HB3 ASP A 2 11.932 5.500 6.762 1.00 2.00 H new ATOM 31 N MET A 3 10.848 2.677 9.162 1.00 0.96 N ATOM 32 CA MET A 3 9.645 2.304 9.893 1.00 0.96 C ATOM 33 C MET A 3 9.093 3.487 10.677 1.00 0.91 C ATOM 34 O MET A 3 7.938 3.480 11.094 1.00 1.26 O ATOM 35 CB MET A 3 9.951 1.157 10.856 1.00 1.43 C ATOM 36 CG MET A 3 10.495 -0.099 10.190 1.00 1.59 C ATOM 37 SD MET A 3 9.245 -1.035 9.290 1.00 2.01 S ATOM 38 CE MET A 3 9.317 -0.236 7.695 1.00 2.17 C ATOM 0 H MET A 3 11.713 2.543 9.686 1.00 0.96 H new ATOM 0 HA MET A 3 8.896 1.985 9.168 1.00 0.96 H new ATOM 0 HB2 MET A 3 10.674 1.503 11.595 1.00 1.43 H new ATOM 0 HB3 MET A 3 9.040 0.901 11.397 1.00 1.43 H new ATOM 0 HG2 MET A 3 11.293 0.181 9.502 1.00 1.59 H new ATOM 0 HG3 MET A 3 10.940 -0.740 10.951 1.00 1.59 H new ATOM 0 HE1 MET A 3 8.406 0.340 7.535 1.00 2.17 H new ATOM 0 HE2 MET A 3 10.178 0.431 7.661 1.00 2.17 H new ATOM 0 HE3 MET A 3 9.411 -0.991 6.914 1.00 2.17 H new ATOM 48 N SER A 4 9.922 4.502 10.862 1.00 0.78 N ATOM 49 CA SER A 4 9.553 5.652 11.673 1.00 0.78 C ATOM 50 C SER A 4 8.721 6.629 10.854 1.00 0.72 C ATOM 51 O SER A 4 7.824 7.299 11.370 1.00 0.81 O ATOM 52 CB SER A 4 10.818 6.345 12.175 1.00 0.86 C ATOM 53 OG SER A 4 11.778 5.391 12.607 1.00 1.47 O ATOM 0 H SER A 4 10.858 4.553 10.460 1.00 0.78 H new ATOM 0 HA SER A 4 8.960 5.314 12.523 1.00 0.78 H new ATOM 0 HB2 SER A 4 11.241 6.959 11.380 1.00 0.86 H new ATOM 0 HB3 SER A 4 10.569 7.015 12.998 1.00 0.86 H new ATOM 0 HG SER A 4 12.232 5.007 11.828 1.00 1.47 H new ATOM 59 N ASN A 5 9.016 6.682 9.565 1.00 0.64 N ATOM 60 CA ASN A 5 8.383 7.634 8.669 1.00 0.64 C ATOM 61 C ASN A 5 7.183 7.012 7.969 1.00 0.57 C ATOM 62 O ASN A 5 6.493 7.667 7.213 1.00 0.68 O ATOM 63 CB ASN A 5 9.418 8.141 7.648 1.00 0.69 C ATOM 64 CG ASN A 5 8.834 8.951 6.502 1.00 1.19 C ATOM 65 OD1 ASN A 5 8.728 10.174 6.583 1.00 1.89 O ATOM 66 ND2 ASN A 5 8.467 8.272 5.421 1.00 1.24 N ATOM 0 H ASN A 5 9.696 6.071 9.114 1.00 0.64 H new ATOM 0 HA ASN A 5 8.015 8.479 9.251 1.00 0.64 H new ATOM 0 HB2 ASN A 5 10.154 8.753 8.170 1.00 0.69 H new ATOM 0 HB3 ASN A 5 9.951 7.285 7.235 1.00 0.69 H new ATOM 0 HD21 ASN A 5 8.080 8.765 4.616 1.00 1.24 H new ATOM 0 HD22 ASN A 5 8.572 7.258 5.396 1.00 1.24 H new ATOM 73 N VAL A 6 6.904 5.760 8.227 1.00 0.44 N ATOM 74 CA VAL A 6 5.829 5.115 7.504 1.00 0.40 C ATOM 75 C VAL A 6 4.601 4.896 8.394 1.00 0.40 C ATOM 76 O VAL A 6 4.712 4.420 9.526 1.00 0.47 O ATOM 77 CB VAL A 6 6.316 3.811 6.847 1.00 0.43 C ATOM 78 CG1 VAL A 6 6.537 2.689 7.849 1.00 0.98 C ATOM 79 CG2 VAL A 6 5.363 3.387 5.762 1.00 1.25 C ATOM 0 H VAL A 6 7.388 5.178 8.911 1.00 0.44 H new ATOM 0 HA VAL A 6 5.513 5.783 6.703 1.00 0.40 H new ATOM 0 HB VAL A 6 7.290 4.020 6.405 1.00 0.43 H new ATOM 0 HG11 VAL A 6 6.880 1.796 7.326 1.00 0.98 H new ATOM 0 HG12 VAL A 6 7.289 2.994 8.577 1.00 0.98 H new ATOM 0 HG13 VAL A 6 5.601 2.471 8.364 1.00 0.98 H new ATOM 0 HG21 VAL A 6 5.719 2.463 5.305 1.00 1.25 H new ATOM 0 HG22 VAL A 6 4.374 3.222 6.190 1.00 1.25 H new ATOM 0 HG23 VAL A 6 5.305 4.168 5.004 1.00 1.25 H new ATOM 89 N VAL A 7 3.429 5.275 7.877 1.00 0.38 N ATOM 90 CA VAL A 7 2.196 5.233 8.667 1.00 0.41 C ATOM 91 C VAL A 7 1.541 3.856 8.649 1.00 0.37 C ATOM 92 O VAL A 7 0.828 3.501 9.586 1.00 0.42 O ATOM 93 CB VAL A 7 1.147 6.290 8.225 1.00 0.52 C ATOM 94 CG1 VAL A 7 1.551 7.683 8.676 1.00 0.94 C ATOM 95 CG2 VAL A 7 0.936 6.276 6.721 1.00 1.03 C ATOM 0 H VAL A 7 3.308 5.612 6.922 1.00 0.38 H new ATOM 0 HA VAL A 7 2.516 5.469 9.682 1.00 0.41 H new ATOM 0 HB VAL A 7 0.205 6.023 8.705 1.00 0.52 H new ATOM 0 HG11 VAL A 7 0.799 8.403 8.353 1.00 0.94 H new ATOM 0 HG12 VAL A 7 1.631 7.705 9.763 1.00 0.94 H new ATOM 0 HG13 VAL A 7 2.514 7.943 8.236 1.00 0.94 H new ATOM 0 HG21 VAL A 7 0.196 7.029 6.450 1.00 1.03 H new ATOM 0 HG22 VAL A 7 1.878 6.497 6.219 1.00 1.03 H new ATOM 0 HG23 VAL A 7 0.583 5.292 6.412 1.00 1.03 H new ATOM 105 N LYS A 8 1.790 3.073 7.603 1.00 0.34 N ATOM 106 CA LYS A 8 1.193 1.747 7.508 1.00 0.35 C ATOM 107 C LYS A 8 1.834 0.911 6.416 1.00 0.31 C ATOM 108 O LYS A 8 2.098 1.382 5.307 1.00 0.35 O ATOM 109 CB LYS A 8 -0.318 1.839 7.268 1.00 0.44 C ATOM 110 CG LYS A 8 -1.032 0.499 7.371 1.00 0.50 C ATOM 111 CD LYS A 8 -0.904 -0.086 8.768 1.00 0.57 C ATOM 112 CE LYS A 8 -1.515 -1.474 8.860 1.00 1.01 C ATOM 113 NZ LYS A 8 -1.343 -2.059 10.214 1.00 1.41 N ATOM 0 H LYS A 8 2.392 3.329 6.821 1.00 0.34 H new ATOM 0 HA LYS A 8 1.374 1.254 8.463 1.00 0.35 H new ATOM 0 HB2 LYS A 8 -0.751 2.529 7.992 1.00 0.44 H new ATOM 0 HB3 LYS A 8 -0.496 2.261 6.279 1.00 0.44 H new ATOM 0 HG2 LYS A 8 -2.086 0.625 7.122 1.00 0.50 H new ATOM 0 HG3 LYS A 8 -0.613 -0.196 6.643 1.00 0.50 H new ATOM 0 HD2 LYS A 8 0.149 -0.134 9.046 1.00 0.57 H new ATOM 0 HD3 LYS A 8 -1.393 0.574 9.484 1.00 0.57 H new ATOM 0 HE2 LYS A 8 -2.577 -1.422 8.618 1.00 1.01 H new ATOM 0 HE3 LYS A 8 -1.051 -2.126 8.120 1.00 1.01 H new ATOM 0 HZ1 LYS A 8 -1.772 -3.006 10.240 1.00 1.41 H new ATOM 0 HZ2 LYS A 8 -0.329 -2.132 10.434 1.00 1.41 H new ATOM 0 HZ3 LYS A 8 -1.807 -1.449 10.917 1.00 1.41 H new ATOM 127 N THR A 9 2.088 -0.332 6.767 1.00 0.33 N ATOM 128 CA THR A 9 2.572 -1.331 5.840 1.00 0.32 C ATOM 129 C THR A 9 1.463 -2.348 5.546 1.00 0.35 C ATOM 130 O THR A 9 0.687 -2.712 6.433 1.00 0.39 O ATOM 131 CB THR A 9 3.807 -2.037 6.429 1.00 0.33 C ATOM 132 OG1 THR A 9 4.889 -1.109 6.551 1.00 0.40 O ATOM 133 CG2 THR A 9 4.236 -3.238 5.592 1.00 0.33 C ATOM 0 H THR A 9 1.962 -0.681 7.717 1.00 0.33 H new ATOM 0 HA THR A 9 2.859 -0.847 4.906 1.00 0.32 H new ATOM 0 HB THR A 9 3.532 -2.410 7.416 1.00 0.33 H new ATOM 0 HG1 THR A 9 5.293 -0.961 5.671 1.00 0.40 H new ATOM 0 HG21 THR A 9 5.111 -3.704 6.046 1.00 0.33 H new ATOM 0 HG22 THR A 9 3.421 -3.961 5.548 1.00 0.33 H new ATOM 0 HG23 THR A 9 4.483 -2.909 4.583 1.00 0.33 H new ATOM 141 N TYR A 10 1.390 -2.791 4.300 1.00 0.37 N ATOM 142 CA TYR A 10 0.365 -3.721 3.868 1.00 0.42 C ATOM 143 C TYR A 10 0.949 -4.973 3.280 1.00 0.38 C ATOM 144 O TYR A 10 1.903 -4.942 2.503 1.00 0.35 O ATOM 145 CB TYR A 10 -0.586 -3.059 2.880 1.00 0.47 C ATOM 146 CG TYR A 10 -1.600 -2.213 3.582 1.00 0.60 C ATOM 147 CD1 TYR A 10 -2.607 -2.776 4.349 1.00 0.70 C ATOM 148 CD2 TYR A 10 -1.561 -0.840 3.442 1.00 0.68 C ATOM 149 CE1 TYR A 10 -3.549 -1.979 4.967 1.00 0.84 C ATOM 150 CE2 TYR A 10 -2.495 -0.036 4.046 1.00 0.82 C ATOM 151 CZ TYR A 10 -3.463 -0.690 4.951 1.00 0.91 C ATOM 152 OH TYR A 10 -4.432 0.192 5.415 1.00 1.06 O ATOM 0 H TYR A 10 2.039 -2.515 3.563 1.00 0.37 H new ATOM 0 HA TYR A 10 -0.198 -4.011 4.755 1.00 0.42 H new ATOM 0 HB2 TYR A 10 -0.018 -2.444 2.182 1.00 0.47 H new ATOM 0 HB3 TYR A 10 -1.093 -3.824 2.292 1.00 0.47 H new ATOM 0 HD1 TYR A 10 -2.655 -3.849 4.464 1.00 0.70 H new ATOM 0 HD2 TYR A 10 -0.781 -0.390 2.846 1.00 0.68 H new ATOM 0 HE1 TYR A 10 -4.379 -2.445 5.477 1.00 0.84 H new ATOM 0 HE2 TYR A 10 -2.521 1.029 3.868 1.00 0.82 H new ATOM 0 HH TYR A 10 -4.122 1.113 5.290 1.00 1.06 H new ATOM 162 N ASP A 11 0.352 -6.074 3.677 1.00 0.42 N ATOM 163 CA ASP A 11 0.759 -7.373 3.215 1.00 0.42 C ATOM 164 C ASP A 11 -0.083 -7.760 2.023 1.00 0.39 C ATOM 165 O ASP A 11 -1.307 -7.830 2.114 1.00 0.40 O ATOM 166 CB ASP A 11 0.606 -8.429 4.317 1.00 0.52 C ATOM 167 CG ASP A 11 1.357 -8.083 5.588 1.00 1.25 C ATOM 168 OD1 ASP A 11 0.802 -7.341 6.433 1.00 1.69 O ATOM 169 OD2 ASP A 11 2.516 -8.533 5.741 1.00 1.94 O ATOM 0 H ASP A 11 -0.431 -6.089 4.331 1.00 0.42 H new ATOM 0 HA ASP A 11 1.811 -7.327 2.935 1.00 0.42 H new ATOM 0 HB2 ASP A 11 -0.452 -8.550 4.550 1.00 0.52 H new ATOM 0 HB3 ASP A 11 0.962 -9.389 3.943 1.00 0.52 H new ATOM 174 N LEU A 12 0.571 -7.990 0.911 1.00 0.38 N ATOM 175 CA LEU A 12 -0.108 -8.512 -0.261 1.00 0.41 C ATOM 176 C LEU A 12 -0.258 -10.009 -0.073 1.00 0.54 C ATOM 177 O LEU A 12 0.602 -10.637 0.543 1.00 1.50 O ATOM 178 CB LEU A 12 0.655 -8.202 -1.556 1.00 0.40 C ATOM 179 CG LEU A 12 0.874 -6.711 -1.847 1.00 0.46 C ATOM 180 CD1 LEU A 12 1.257 -6.500 -3.305 1.00 1.04 C ATOM 181 CD2 LEU A 12 -0.368 -5.903 -1.504 1.00 1.04 C ATOM 0 H LEU A 12 1.570 -7.826 0.788 1.00 0.38 H new ATOM 0 HA LEU A 12 -1.082 -8.033 -0.360 1.00 0.41 H new ATOM 0 HB2 LEU A 12 1.627 -8.693 -1.512 1.00 0.40 H new ATOM 0 HB3 LEU A 12 0.112 -8.643 -2.392 1.00 0.40 H new ATOM 0 HG LEU A 12 1.693 -6.362 -1.219 1.00 0.46 H new ATOM 0 HD11 LEU A 12 1.408 -5.437 -3.491 1.00 1.04 H new ATOM 0 HD12 LEU A 12 2.179 -7.041 -3.521 1.00 1.04 H new ATOM 0 HD13 LEU A 12 0.459 -6.871 -3.948 1.00 1.04 H new ATOM 0 HD21 LEU A 12 -0.188 -4.850 -1.719 1.00 1.04 H new ATOM 0 HD22 LEU A 12 -1.208 -6.257 -2.101 1.00 1.04 H new ATOM 0 HD23 LEU A 12 -0.599 -6.023 -0.446 1.00 1.04 H new ATOM 193 N GLN A 13 -1.346 -10.585 -0.563 1.00 0.65 N ATOM 194 CA GLN A 13 -1.649 -11.986 -0.283 1.00 0.62 C ATOM 195 C GLN A 13 -0.584 -12.932 -0.844 1.00 0.62 C ATOM 196 O GLN A 13 -0.515 -14.099 -0.461 1.00 0.74 O ATOM 197 CB GLN A 13 -3.023 -12.351 -0.833 1.00 0.69 C ATOM 198 CG GLN A 13 -3.682 -13.465 -0.049 1.00 0.89 C ATOM 199 CD GLN A 13 -5.091 -13.757 -0.518 1.00 1.08 C ATOM 200 OE1 GLN A 13 -6.051 -13.153 -0.044 1.00 1.68 O ATOM 201 NE2 GLN A 13 -5.230 -14.699 -1.436 1.00 1.61 N ATOM 0 H GLN A 13 -2.030 -10.111 -1.152 1.00 0.65 H new ATOM 0 HA GLN A 13 -1.651 -12.106 0.800 1.00 0.62 H new ATOM 0 HB2 GLN A 13 -3.664 -11.470 -0.815 1.00 0.69 H new ATOM 0 HB3 GLN A 13 -2.925 -12.653 -1.876 1.00 0.69 H new ATOM 0 HG2 GLN A 13 -3.080 -14.370 -0.136 1.00 0.89 H new ATOM 0 HG3 GLN A 13 -3.704 -13.197 1.007 1.00 0.89 H new ATOM 0 HE21 GLN A 13 -4.408 -15.177 -1.805 1.00 1.61 H new ATOM 0 HE22 GLN A 13 -6.159 -14.947 -1.775 1.00 1.61 H new ATOM 210 N ASP A 14 0.261 -12.412 -1.713 1.00 0.55 N ATOM 211 CA ASP A 14 1.327 -13.198 -2.322 1.00 0.64 C ATOM 212 C ASP A 14 2.591 -13.106 -1.482 1.00 0.54 C ATOM 213 O ASP A 14 3.463 -13.969 -1.551 1.00 0.70 O ATOM 214 CB ASP A 14 1.602 -12.720 -3.748 1.00 0.80 C ATOM 215 CG ASP A 14 1.771 -11.217 -3.834 1.00 1.46 C ATOM 216 OD1 ASP A 14 2.844 -10.719 -3.426 1.00 1.98 O ATOM 217 OD2 ASP A 14 0.846 -10.539 -4.323 1.00 2.11 O ATOM 0 H ASP A 14 0.232 -11.439 -2.018 1.00 0.55 H new ATOM 0 HA ASP A 14 1.008 -14.239 -2.365 1.00 0.64 H new ATOM 0 HB2 ASP A 14 2.503 -13.206 -4.123 1.00 0.80 H new ATOM 0 HB3 ASP A 14 0.781 -13.028 -4.396 1.00 0.80 H new ATOM 222 N GLY A 15 2.667 -12.066 -0.667 1.00 0.55 N ATOM 223 CA GLY A 15 3.793 -11.903 0.223 1.00 0.73 C ATOM 224 C GLY A 15 4.452 -10.548 0.112 1.00 0.75 C ATOM 225 O GLY A 15 5.178 -10.130 1.021 1.00 1.28 O ATOM 0 H GLY A 15 1.964 -11.329 -0.607 1.00 0.55 H new ATOM 0 HA2 GLY A 15 3.460 -12.054 1.250 1.00 0.73 H new ATOM 0 HA3 GLY A 15 4.531 -12.677 0.010 1.00 0.73 H new ATOM 229 N SER A 16 4.227 -9.873 -1.007 1.00 0.37 N ATOM 230 CA SER A 16 4.810 -8.564 -1.239 1.00 0.35 C ATOM 231 C SER A 16 4.291 -7.560 -0.215 1.00 0.29 C ATOM 232 O SER A 16 3.193 -7.711 0.318 1.00 0.33 O ATOM 233 CB SER A 16 4.500 -8.105 -2.662 1.00 0.44 C ATOM 234 OG SER A 16 4.868 -9.101 -3.606 1.00 1.07 O ATOM 0 H SER A 16 3.642 -10.214 -1.770 1.00 0.37 H new ATOM 0 HA SER A 16 5.892 -8.629 -1.124 1.00 0.35 H new ATOM 0 HB2 SER A 16 3.436 -7.886 -2.754 1.00 0.44 H new ATOM 0 HB3 SER A 16 5.036 -7.180 -2.875 1.00 0.44 H new ATOM 0 HG SER A 16 4.182 -9.801 -3.627 1.00 1.07 H new ATOM 240 N LYS A 17 5.089 -6.550 0.074 1.00 0.26 N ATOM 241 CA LYS A 17 4.767 -5.613 1.132 1.00 0.28 C ATOM 242 C LYS A 17 4.714 -4.184 0.610 1.00 0.30 C ATOM 243 O LYS A 17 5.641 -3.713 -0.036 1.00 0.43 O ATOM 244 CB LYS A 17 5.801 -5.734 2.250 1.00 0.31 C ATOM 245 CG LYS A 17 5.921 -7.152 2.781 1.00 0.71 C ATOM 246 CD LYS A 17 6.848 -7.237 3.976 1.00 0.66 C ATOM 247 CE LYS A 17 6.908 -8.654 4.524 1.00 0.84 C ATOM 248 NZ LYS A 17 7.399 -9.622 3.505 1.00 1.84 N ATOM 0 H LYS A 17 5.966 -6.358 -0.410 1.00 0.26 H new ATOM 0 HA LYS A 17 3.779 -5.857 1.522 1.00 0.28 H new ATOM 0 HB2 LYS A 17 6.772 -5.405 1.880 1.00 0.31 H new ATOM 0 HB3 LYS A 17 5.528 -5.066 3.067 1.00 0.31 H new ATOM 0 HG2 LYS A 17 4.934 -7.518 3.062 1.00 0.71 H new ATOM 0 HG3 LYS A 17 6.290 -7.805 1.990 1.00 0.71 H new ATOM 0 HD2 LYS A 17 7.848 -6.913 3.688 1.00 0.66 H new ATOM 0 HD3 LYS A 17 6.505 -6.557 4.755 1.00 0.66 H new ATOM 0 HE2 LYS A 17 7.563 -8.679 5.395 1.00 0.84 H new ATOM 0 HE3 LYS A 17 5.917 -8.955 4.863 1.00 0.84 H new ATOM 0 HZ1 LYS A 17 7.635 -10.523 3.968 1.00 1.84 H new ATOM 0 HZ2 LYS A 17 6.658 -9.782 2.793 1.00 1.84 H new ATOM 0 HZ3 LYS A 17 8.247 -9.238 3.042 1.00 1.84 H new ATOM 262 N VAL A 18 3.614 -3.511 0.898 1.00 0.28 N ATOM 263 CA VAL A 18 3.412 -2.128 0.494 1.00 0.30 C ATOM 264 C VAL A 18 3.459 -1.239 1.727 1.00 0.31 C ATOM 265 O VAL A 18 3.136 -1.687 2.813 1.00 0.41 O ATOM 266 CB VAL A 18 2.040 -1.969 -0.207 1.00 0.35 C ATOM 267 CG1 VAL A 18 1.750 -0.512 -0.552 1.00 0.39 C ATOM 268 CG2 VAL A 18 1.977 -2.835 -1.455 1.00 0.36 C ATOM 0 H VAL A 18 2.833 -3.908 1.420 1.00 0.28 H new ATOM 0 HA VAL A 18 4.198 -1.839 -0.204 1.00 0.30 H new ATOM 0 HB VAL A 18 1.272 -2.301 0.491 1.00 0.35 H new ATOM 0 HG11 VAL A 18 0.779 -0.440 -1.042 1.00 0.39 H new ATOM 0 HG12 VAL A 18 1.740 0.083 0.361 1.00 0.39 H new ATOM 0 HG13 VAL A 18 2.523 -0.136 -1.222 1.00 0.39 H new ATOM 0 HG21 VAL A 18 1.006 -2.711 -1.935 1.00 0.36 H new ATOM 0 HG22 VAL A 18 2.765 -2.535 -2.146 1.00 0.36 H new ATOM 0 HG23 VAL A 18 2.115 -3.881 -1.180 1.00 0.36 H new ATOM 278 N HIS A 19 3.901 -0.005 1.589 1.00 0.29 N ATOM 279 CA HIS A 19 3.821 0.934 2.700 1.00 0.29 C ATOM 280 C HIS A 19 3.428 2.304 2.203 1.00 0.30 C ATOM 281 O HIS A 19 3.894 2.745 1.158 1.00 0.34 O ATOM 282 CB HIS A 19 5.136 1.067 3.480 1.00 0.32 C ATOM 283 CG HIS A 19 6.080 -0.083 3.385 1.00 0.32 C ATOM 284 ND1 HIS A 19 6.158 -1.089 4.313 1.00 0.67 N ATOM 285 CD2 HIS A 19 7.005 -0.360 2.464 1.00 0.37 C ATOM 286 CE1 HIS A 19 7.103 -1.937 3.963 1.00 0.66 C ATOM 287 NE2 HIS A 19 7.632 -1.514 2.839 1.00 0.41 N ATOM 0 H HIS A 19 4.314 0.371 0.735 1.00 0.29 H new ATOM 0 HA HIS A 19 3.067 0.529 3.375 1.00 0.29 H new ATOM 0 HB2 HIS A 19 5.651 1.962 3.132 1.00 0.32 H new ATOM 0 HB3 HIS A 19 4.896 1.226 4.531 1.00 0.32 H new ATOM 0 HD2 HIS A 19 7.219 0.223 1.581 1.00 0.37 H new ATOM 0 HE1 HIS A 19 7.392 -2.825 4.506 1.00 0.66 H new ATOM 0 HE2 HIS A 19 8.387 -1.972 2.329 1.00 0.41 H new ATOM 296 N VAL A 20 2.574 2.964 2.961 1.00 0.31 N ATOM 297 CA VAL A 20 2.250 4.353 2.709 1.00 0.33 C ATOM 298 C VAL A 20 3.020 5.188 3.713 1.00 0.32 C ATOM 299 O VAL A 20 2.911 4.977 4.920 1.00 0.33 O ATOM 300 CB VAL A 20 0.736 4.642 2.812 1.00 0.40 C ATOM 301 CG1 VAL A 20 0.443 6.103 2.461 1.00 0.56 C ATOM 302 CG2 VAL A 20 -0.049 3.701 1.904 1.00 0.81 C ATOM 0 H VAL A 20 2.090 2.557 3.761 1.00 0.31 H new ATOM 0 HA VAL A 20 2.531 4.603 1.686 1.00 0.33 H new ATOM 0 HB VAL A 20 0.420 4.469 3.841 1.00 0.40 H new ATOM 0 HG11 VAL A 20 -0.628 6.288 2.539 1.00 0.56 H new ATOM 0 HG12 VAL A 20 0.975 6.757 3.152 1.00 0.56 H new ATOM 0 HG13 VAL A 20 0.773 6.306 1.442 1.00 0.56 H new ATOM 0 HG21 VAL A 20 -1.114 3.918 1.989 1.00 0.81 H new ATOM 0 HG22 VAL A 20 0.269 3.842 0.871 1.00 0.81 H new ATOM 0 HG23 VAL A 20 0.136 2.669 2.202 1.00 0.81 H new ATOM 312 N PHE A 21 3.824 6.096 3.216 1.00 0.34 N ATOM 313 CA PHE A 21 4.768 6.808 4.045 1.00 0.37 C ATOM 314 C PHE A 21 4.212 8.162 4.493 1.00 0.39 C ATOM 315 O PHE A 21 3.307 8.712 3.865 1.00 0.40 O ATOM 316 CB PHE A 21 6.086 6.954 3.277 1.00 0.40 C ATOM 317 CG PHE A 21 6.803 5.640 3.045 1.00 0.41 C ATOM 318 CD1 PHE A 21 6.566 4.858 1.909 1.00 0.37 C ATOM 319 CD2 PHE A 21 7.733 5.190 3.968 1.00 0.58 C ATOM 320 CE1 PHE A 21 7.248 3.670 1.722 1.00 0.39 C ATOM 321 CE2 PHE A 21 8.408 4.002 3.778 1.00 0.64 C ATOM 322 CZ PHE A 21 8.167 3.243 2.654 1.00 0.51 C ATOM 0 H PHE A 21 3.844 6.362 2.231 1.00 0.34 H new ATOM 0 HA PHE A 21 4.951 6.240 4.957 1.00 0.37 H new ATOM 0 HB2 PHE A 21 5.885 7.423 2.314 1.00 0.40 H new ATOM 0 HB3 PHE A 21 6.745 7.625 3.828 1.00 0.40 H new ATOM 0 HD1 PHE A 21 5.846 5.185 1.174 1.00 0.37 H new ATOM 0 HD2 PHE A 21 7.933 5.779 4.851 1.00 0.58 H new ATOM 0 HE1 PHE A 21 7.059 3.074 0.841 1.00 0.39 H new ATOM 0 HE2 PHE A 21 9.126 3.667 4.511 1.00 0.64 H new ATOM 0 HZ PHE A 21 8.698 2.315 2.504 1.00 0.51 H new ATOM 332 N LYS A 22 4.752 8.681 5.596 1.00 0.44 N ATOM 333 CA LYS A 22 4.292 9.933 6.201 1.00 0.50 C ATOM 334 C LYS A 22 4.487 11.116 5.266 1.00 0.52 C ATOM 335 O LYS A 22 3.811 12.136 5.391 1.00 0.57 O ATOM 336 CB LYS A 22 5.056 10.213 7.499 1.00 0.61 C ATOM 337 CG LYS A 22 4.522 9.478 8.720 1.00 1.37 C ATOM 338 CD LYS A 22 5.464 9.626 9.905 1.00 1.46 C ATOM 339 CE LYS A 22 5.805 11.083 10.179 1.00 2.02 C ATOM 340 NZ LYS A 22 4.619 11.865 10.619 1.00 2.87 N ATOM 0 H LYS A 22 5.525 8.243 6.098 1.00 0.44 H new ATOM 0 HA LYS A 22 3.228 9.813 6.405 1.00 0.50 H new ATOM 0 HB2 LYS A 22 6.102 9.940 7.356 1.00 0.61 H new ATOM 0 HB3 LYS A 22 5.030 11.285 7.696 1.00 0.61 H new ATOM 0 HG2 LYS A 22 3.539 9.869 8.982 1.00 1.37 H new ATOM 0 HG3 LYS A 22 4.393 8.422 8.484 1.00 1.37 H new ATOM 0 HD2 LYS A 22 5.005 9.188 10.791 1.00 1.46 H new ATOM 0 HD3 LYS A 22 6.381 9.069 9.712 1.00 1.46 H new ATOM 0 HE2 LYS A 22 6.577 11.135 10.946 1.00 2.02 H new ATOM 0 HE3 LYS A 22 6.220 11.533 9.277 1.00 2.02 H new ATOM 0 HZ1 LYS A 22 4.899 12.851 10.794 1.00 2.87 H new ATOM 0 HZ2 LYS A 22 3.891 11.838 9.877 1.00 2.87 H new ATOM 0 HZ3 LYS A 22 4.237 11.453 11.494 1.00 2.87 H new ATOM 354 N ASP A 23 5.412 10.972 4.334 1.00 0.54 N ATOM 355 CA ASP A 23 5.742 12.029 3.407 1.00 0.61 C ATOM 356 C ASP A 23 4.910 11.845 2.161 1.00 0.59 C ATOM 357 O ASP A 23 5.075 12.542 1.160 1.00 0.67 O ATOM 358 CB ASP A 23 7.251 12.053 3.106 1.00 0.68 C ATOM 359 CG ASP A 23 7.822 10.712 2.675 1.00 1.29 C ATOM 360 OD1 ASP A 23 7.438 9.672 3.248 1.00 1.91 O ATOM 361 OD2 ASP A 23 8.700 10.698 1.791 1.00 1.97 O ATOM 0 H ASP A 23 5.953 10.117 4.202 1.00 0.54 H new ATOM 0 HA ASP A 23 5.509 12.999 3.846 1.00 0.61 H new ATOM 0 HB2 ASP A 23 7.442 12.785 2.322 1.00 0.68 H new ATOM 0 HB3 ASP A 23 7.782 12.392 3.995 1.00 0.68 H new ATOM 366 N GLY A 24 4.006 10.883 2.246 1.00 0.53 N ATOM 367 CA GLY A 24 2.973 10.742 1.266 1.00 0.53 C ATOM 368 C GLY A 24 3.299 9.806 0.129 1.00 0.53 C ATOM 369 O GLY A 24 2.444 9.556 -0.716 1.00 0.58 O ATOM 0 H GLY A 24 3.978 10.190 2.994 1.00 0.53 H new ATOM 0 HA2 GLY A 24 2.069 10.388 1.761 1.00 0.53 H new ATOM 0 HA3 GLY A 24 2.746 11.725 0.854 1.00 0.53 H new ATOM 373 N LYS A 25 4.517 9.292 0.070 1.00 0.50 N ATOM 374 CA LYS A 25 4.853 8.333 -0.963 1.00 0.51 C ATOM 375 C LYS A 25 4.578 6.914 -0.491 1.00 0.42 C ATOM 376 O LYS A 25 4.170 6.693 0.646 1.00 0.41 O ATOM 377 CB LYS A 25 6.312 8.468 -1.368 1.00 0.62 C ATOM 378 CG LYS A 25 6.628 9.793 -2.034 1.00 0.94 C ATOM 379 CD LYS A 25 7.717 10.527 -1.284 1.00 1.49 C ATOM 380 CE LYS A 25 8.990 9.698 -1.214 1.00 1.50 C ATOM 381 NZ LYS A 25 10.046 10.349 -0.400 1.00 1.74 N ATOM 0 H LYS A 25 5.275 9.519 0.714 1.00 0.50 H new ATOM 0 HA LYS A 25 4.226 8.542 -1.830 1.00 0.51 H new ATOM 0 HB2 LYS A 25 6.940 8.355 -0.484 1.00 0.62 H new ATOM 0 HB3 LYS A 25 6.570 7.656 -2.048 1.00 0.62 H new ATOM 0 HG2 LYS A 25 6.942 9.621 -3.064 1.00 0.94 H new ATOM 0 HG3 LYS A 25 5.729 10.409 -2.073 1.00 0.94 H new ATOM 0 HD2 LYS A 25 7.925 11.477 -1.777 1.00 1.49 H new ATOM 0 HD3 LYS A 25 7.375 10.759 -0.275 1.00 1.49 H new ATOM 0 HE2 LYS A 25 8.760 8.720 -0.791 1.00 1.50 H new ATOM 0 HE3 LYS A 25 9.366 9.529 -2.223 1.00 1.50 H new ATOM 0 HZ1 LYS A 25 10.881 9.730 -0.355 1.00 1.74 H new ATOM 0 HZ2 LYS A 25 10.311 11.256 -0.835 1.00 1.74 H new ATOM 0 HZ3 LYS A 25 9.688 10.518 0.562 1.00 1.74 H new ATOM 395 N MET A 26 4.817 5.957 -1.368 1.00 0.42 N ATOM 396 CA MET A 26 4.554 4.561 -1.083 1.00 0.41 C ATOM 397 C MET A 26 5.690 3.701 -1.609 1.00 0.42 C ATOM 398 O MET A 26 6.287 4.011 -2.640 1.00 0.49 O ATOM 399 CB MET A 26 3.235 4.107 -1.717 1.00 0.47 C ATOM 400 CG MET A 26 1.994 4.720 -1.082 1.00 0.73 C ATOM 401 SD MET A 26 1.662 6.415 -1.611 1.00 1.07 S ATOM 402 CE MET A 26 1.385 6.186 -3.366 1.00 0.76 C ATOM 0 H MET A 26 5.199 6.127 -2.298 1.00 0.42 H new ATOM 0 HA MET A 26 4.476 4.447 -0.002 1.00 0.41 H new ATOM 0 HB2 MET A 26 3.249 4.359 -2.777 1.00 0.47 H new ATOM 0 HB3 MET A 26 3.166 3.021 -1.648 1.00 0.47 H new ATOM 0 HG2 MET A 26 1.131 4.099 -1.322 1.00 0.73 H new ATOM 0 HG3 MET A 26 2.107 4.704 0.002 1.00 0.73 H new ATOM 0 HE1 MET A 26 2.207 6.633 -3.925 1.00 0.76 H new ATOM 0 HE2 MET A 26 1.331 5.121 -3.590 1.00 0.76 H new ATOM 0 HE3 MET A 26 0.449 6.665 -3.652 1.00 0.76 H new ATOM 412 N GLY A 27 5.990 2.629 -0.896 1.00 0.39 N ATOM 413 CA GLY A 27 7.063 1.747 -1.299 1.00 0.39 C ATOM 414 C GLY A 27 6.639 0.296 -1.260 1.00 0.32 C ATOM 415 O GLY A 27 5.798 -0.078 -0.438 1.00 0.33 O ATOM 0 H GLY A 27 5.507 2.352 -0.041 1.00 0.39 H new ATOM 0 HA2 GLY A 27 7.386 2.005 -2.308 1.00 0.39 H new ATOM 0 HA3 GLY A 27 7.920 1.893 -0.642 1.00 0.39 H new ATOM 419 N MET A 28 7.195 -0.515 -2.147 1.00 0.28 N ATOM 420 CA MET A 28 6.825 -1.922 -2.227 1.00 0.27 C ATOM 421 C MET A 28 8.048 -2.843 -2.177 1.00 0.26 C ATOM 422 O MET A 28 9.135 -2.494 -2.644 1.00 0.31 O ATOM 423 CB MET A 28 6.028 -2.163 -3.516 1.00 0.34 C ATOM 424 CG MET A 28 5.625 -3.614 -3.739 1.00 0.45 C ATOM 425 SD MET A 28 4.666 -3.846 -5.249 1.00 0.87 S ATOM 426 CE MET A 28 4.528 -5.631 -5.286 1.00 0.72 C ATOM 0 H MET A 28 7.903 -0.225 -2.821 1.00 0.28 H new ATOM 0 HA MET A 28 6.210 -2.161 -1.359 1.00 0.27 H new ATOM 0 HB2 MET A 28 5.129 -1.547 -3.494 1.00 0.34 H new ATOM 0 HB3 MET A 28 6.623 -1.828 -4.366 1.00 0.34 H new ATOM 0 HG2 MET A 28 6.521 -4.233 -3.784 1.00 0.45 H new ATOM 0 HG3 MET A 28 5.041 -3.960 -2.886 1.00 0.45 H new ATOM 0 HE1 MET A 28 4.085 -5.942 -6.232 1.00 0.72 H new ATOM 0 HE2 MET A 28 5.519 -6.075 -5.185 1.00 0.72 H new ATOM 0 HE3 MET A 28 3.896 -5.964 -4.463 1.00 0.72 H new ATOM 436 N GLU A 29 7.850 -4.008 -1.577 1.00 0.24 N ATOM 437 CA GLU A 29 8.831 -5.083 -1.593 1.00 0.26 C ATOM 438 C GLU A 29 8.128 -6.356 -2.023 1.00 0.27 C ATOM 439 O GLU A 29 6.912 -6.453 -1.900 1.00 0.29 O ATOM 440 CB GLU A 29 9.469 -5.320 -0.216 1.00 0.34 C ATOM 441 CG GLU A 29 10.330 -4.181 0.296 1.00 0.47 C ATOM 442 CD GLU A 29 9.561 -3.233 1.185 1.00 0.56 C ATOM 443 OE1 GLU A 29 9.184 -3.643 2.298 1.00 0.68 O ATOM 444 OE2 GLU A 29 9.323 -2.078 0.782 1.00 1.14 O ATOM 0 H GLU A 29 6.999 -4.235 -1.062 1.00 0.24 H new ATOM 0 HA GLU A 29 9.628 -4.802 -2.281 1.00 0.26 H new ATOM 0 HB2 GLU A 29 8.676 -5.510 0.507 1.00 0.34 H new ATOM 0 HB3 GLU A 29 10.078 -6.222 -0.265 1.00 0.34 H new ATOM 0 HG2 GLU A 29 11.176 -4.589 0.850 1.00 0.47 H new ATOM 0 HG3 GLU A 29 10.739 -3.630 -0.550 1.00 0.47 H new ATOM 451 N ASN A 30 8.870 -7.323 -2.529 1.00 0.32 N ATOM 452 CA ASN A 30 8.284 -8.614 -2.869 1.00 0.39 C ATOM 453 C ASN A 30 8.276 -9.523 -1.644 1.00 0.42 C ATOM 454 O ASN A 30 8.838 -9.171 -0.607 1.00 0.42 O ATOM 455 CB ASN A 30 9.047 -9.281 -4.021 1.00 0.47 C ATOM 456 CG ASN A 30 10.527 -9.448 -3.732 1.00 0.79 C ATOM 457 OD1 ASN A 30 10.950 -9.506 -2.587 1.00 1.41 O ATOM 458 ND2 ASN A 30 11.328 -9.553 -4.770 1.00 1.12 N ATOM 0 H ASN A 30 9.870 -7.245 -2.714 1.00 0.32 H new ATOM 0 HA ASN A 30 7.258 -8.447 -3.197 1.00 0.39 H new ATOM 0 HB2 ASN A 30 8.609 -10.259 -4.222 1.00 0.47 H new ATOM 0 HB3 ASN A 30 8.924 -8.684 -4.925 1.00 0.47 H new ATOM 0 HD21 ASN A 30 12.329 -9.686 -4.630 1.00 1.12 H new ATOM 0 HD22 ASN A 30 10.948 -9.501 -5.715 1.00 1.12 H new ATOM 465 N LYS A 31 7.606 -10.669 -1.746 1.00 0.48 N ATOM 466 CA LYS A 31 7.634 -11.679 -0.681 1.00 0.54 C ATOM 467 C LYS A 31 9.056 -12.097 -0.284 1.00 0.58 C ATOM 468 O LYS A 31 9.252 -12.726 0.755 1.00 0.69 O ATOM 469 CB LYS A 31 6.830 -12.917 -1.077 1.00 0.62 C ATOM 470 CG LYS A 31 7.314 -13.626 -2.329 1.00 0.66 C ATOM 471 CD LYS A 31 6.498 -14.882 -2.575 1.00 0.78 C ATOM 472 CE LYS A 31 6.977 -15.638 -3.803 1.00 1.32 C ATOM 473 NZ LYS A 31 6.239 -16.917 -3.990 1.00 1.77 N ATOM 0 H LYS A 31 7.037 -10.925 -2.553 1.00 0.48 H new ATOM 0 HA LYS A 31 7.177 -11.207 0.188 1.00 0.54 H new ATOM 0 HB2 LYS A 31 6.849 -13.624 -0.248 1.00 0.62 H new ATOM 0 HB3 LYS A 31 5.790 -12.624 -1.223 1.00 0.62 H new ATOM 0 HG2 LYS A 31 7.233 -12.958 -3.187 1.00 0.66 H new ATOM 0 HG3 LYS A 31 8.368 -13.884 -2.224 1.00 0.66 H new ATOM 0 HD2 LYS A 31 6.560 -15.532 -1.702 1.00 0.78 H new ATOM 0 HD3 LYS A 31 5.449 -14.614 -2.700 1.00 0.78 H new ATOM 0 HE2 LYS A 31 6.850 -15.013 -4.687 1.00 1.32 H new ATOM 0 HE3 LYS A 31 8.043 -15.844 -3.709 1.00 1.32 H new ATOM 0 HZ1 LYS A 31 6.595 -17.403 -4.838 1.00 1.77 H new ATOM 0 HZ2 LYS A 31 6.381 -17.525 -3.158 1.00 1.77 H new ATOM 0 HZ3 LYS A 31 5.225 -16.719 -4.105 1.00 1.77 H new ATOM 487 N PHE A 32 10.043 -11.753 -1.098 1.00 0.58 N ATOM 488 CA PHE A 32 11.428 -12.091 -0.792 1.00 0.63 C ATOM 489 C PHE A 32 12.085 -10.961 -0.003 1.00 0.56 C ATOM 490 O PHE A 32 13.256 -11.042 0.364 1.00 0.62 O ATOM 491 CB PHE A 32 12.217 -12.368 -2.074 1.00 0.69 C ATOM 492 CG PHE A 32 11.613 -13.448 -2.924 1.00 0.80 C ATOM 493 CD1 PHE A 32 11.506 -14.744 -2.449 1.00 0.95 C ATOM 494 CD2 PHE A 32 11.157 -13.164 -4.202 1.00 0.83 C ATOM 495 CE1 PHE A 32 10.957 -15.740 -3.232 1.00 1.08 C ATOM 496 CE2 PHE A 32 10.608 -14.155 -4.990 1.00 0.96 C ATOM 497 CZ PHE A 32 10.484 -15.443 -4.491 1.00 1.07 C ATOM 0 H PHE A 32 9.913 -11.243 -1.972 1.00 0.58 H new ATOM 0 HA PHE A 32 11.433 -12.996 -0.185 1.00 0.63 H new ATOM 0 HB2 PHE A 32 12.281 -11.450 -2.658 1.00 0.69 H new ATOM 0 HB3 PHE A 32 13.236 -12.650 -1.811 1.00 0.69 H new ATOM 0 HD1 PHE A 32 11.856 -14.979 -1.455 1.00 0.95 H new ATOM 0 HD2 PHE A 32 11.232 -12.157 -4.585 1.00 0.83 H new ATOM 0 HE1 PHE A 32 10.899 -16.751 -2.857 1.00 1.08 H new ATOM 0 HE2 PHE A 32 10.276 -13.928 -5.992 1.00 0.96 H new ATOM 0 HZ PHE A 32 10.017 -16.212 -5.089 1.00 1.07 H new ATOM 507 N GLY A 33 11.321 -9.901 0.244 1.00 0.49 N ATOM 508 CA GLY A 33 11.807 -8.801 1.050 1.00 0.49 C ATOM 509 C GLY A 33 12.689 -7.871 0.263 1.00 0.45 C ATOM 510 O GLY A 33 13.507 -7.143 0.826 1.00 0.54 O ATOM 0 H GLY A 33 10.369 -9.786 -0.103 1.00 0.49 H new ATOM 0 HA2 GLY A 33 10.960 -8.244 1.451 1.00 0.49 H new ATOM 0 HA3 GLY A 33 12.363 -9.194 1.901 1.00 0.49 H new ATOM 514 N LYS A 34 12.539 -7.912 -1.042 1.00 0.42 N ATOM 515 CA LYS A 34 13.359 -7.099 -1.915 1.00 0.52 C ATOM 516 C LYS A 34 12.593 -5.909 -2.419 1.00 0.38 C ATOM 517 O LYS A 34 11.443 -6.012 -2.843 1.00 0.72 O ATOM 518 CB LYS A 34 13.899 -7.919 -3.074 1.00 0.85 C ATOM 519 CG LYS A 34 14.631 -9.150 -2.599 1.00 1.17 C ATOM 520 CD LYS A 34 15.933 -8.833 -1.864 1.00 1.92 C ATOM 521 CE LYS A 34 17.017 -8.269 -2.775 1.00 2.73 C ATOM 522 NZ LYS A 34 16.767 -6.854 -3.156 1.00 3.25 N ATOM 0 H LYS A 34 11.857 -8.499 -1.523 1.00 0.42 H new ATOM 0 HA LYS A 34 14.206 -6.736 -1.333 1.00 0.52 H new ATOM 0 HB2 LYS A 34 13.076 -8.214 -3.724 1.00 0.85 H new ATOM 0 HB3 LYS A 34 14.572 -7.304 -3.671 1.00 0.85 H new ATOM 0 HG2 LYS A 34 13.978 -9.720 -1.938 1.00 1.17 H new ATOM 0 HG3 LYS A 34 14.851 -9.787 -3.456 1.00 1.17 H new ATOM 0 HD2 LYS A 34 15.728 -8.117 -1.068 1.00 1.92 H new ATOM 0 HD3 LYS A 34 16.304 -9.741 -1.388 1.00 1.92 H new ATOM 0 HE2 LYS A 34 17.982 -8.341 -2.273 1.00 2.73 H new ATOM 0 HE3 LYS A 34 17.081 -8.878 -3.677 1.00 2.73 H new ATOM 0 HZ1 LYS A 34 16.435 -6.813 -4.141 1.00 3.25 H new ATOM 0 HZ2 LYS A 34 16.043 -6.449 -2.530 1.00 3.25 H new ATOM 0 HZ3 LYS A 34 17.648 -6.309 -3.064 1.00 3.25 H new ATOM 536 N SER A 35 13.265 -4.792 -2.375 1.00 0.46 N ATOM 537 CA SER A 35 12.663 -3.514 -2.693 1.00 0.48 C ATOM 538 C SER A 35 12.516 -3.326 -4.200 1.00 0.58 C ATOM 539 O SER A 35 13.497 -3.394 -4.946 1.00 0.74 O ATOM 540 CB SER A 35 13.491 -2.390 -2.081 1.00 0.69 C ATOM 541 OG SER A 35 14.868 -2.529 -2.399 1.00 1.55 O ATOM 0 H SER A 35 14.250 -4.736 -2.117 1.00 0.46 H new ATOM 0 HA SER A 35 11.660 -3.488 -2.267 1.00 0.48 H new ATOM 0 HB2 SER A 35 13.127 -1.429 -2.444 1.00 0.69 H new ATOM 0 HB3 SER A 35 13.364 -2.390 -0.998 1.00 0.69 H new ATOM 0 HG SER A 35 14.960 -2.855 -3.319 1.00 1.55 H new ATOM 547 N MET A 36 11.290 -3.108 -4.638 1.00 0.58 N ATOM 548 CA MET A 36 11.003 -2.877 -6.044 1.00 0.76 C ATOM 549 C MET A 36 9.772 -1.996 -6.190 1.00 0.87 C ATOM 550 O MET A 36 8.885 -2.014 -5.344 1.00 0.94 O ATOM 551 CB MET A 36 10.830 -4.211 -6.794 1.00 0.81 C ATOM 552 CG MET A 36 10.075 -5.295 -6.028 1.00 1.07 C ATOM 553 SD MET A 36 8.318 -4.943 -5.812 1.00 1.38 S ATOM 554 CE MET A 36 7.772 -4.832 -7.515 1.00 1.15 C ATOM 0 H MET A 36 10.468 -3.086 -4.034 1.00 0.58 H new ATOM 0 HA MET A 36 11.849 -2.356 -6.493 1.00 0.76 H new ATOM 0 HB2 MET A 36 10.306 -4.018 -7.730 1.00 0.81 H new ATOM 0 HB3 MET A 36 11.817 -4.593 -7.055 1.00 0.81 H new ATOM 0 HG2 MET A 36 10.184 -6.243 -6.555 1.00 1.07 H new ATOM 0 HG3 MET A 36 10.534 -5.421 -5.048 1.00 1.07 H new ATOM 0 HE1 MET A 36 6.701 -5.027 -7.567 1.00 1.15 H new ATOM 0 HE2 MET A 36 7.978 -3.833 -7.899 1.00 1.15 H new ATOM 0 HE3 MET A 36 8.304 -5.569 -8.117 1.00 1.15 H new ATOM 564 N ASN A 37 9.734 -1.194 -7.240 1.00 1.03 N ATOM 565 CA ASN A 37 8.598 -0.314 -7.460 1.00 1.17 C ATOM 566 C ASN A 37 7.641 -0.933 -8.465 1.00 0.99 C ATOM 567 O ASN A 37 8.067 -1.565 -9.432 1.00 1.03 O ATOM 568 CB ASN A 37 9.048 1.076 -7.925 1.00 1.55 C ATOM 569 CG ASN A 37 9.737 1.076 -9.280 1.00 2.18 C ATOM 570 OD1 ASN A 37 9.090 1.208 -10.320 1.00 2.78 O ATOM 571 ND2 ASN A 37 11.054 0.951 -9.274 1.00 2.51 N ATOM 0 H ASN A 37 10.467 -1.133 -7.947 1.00 1.03 H new ATOM 0 HA ASN A 37 8.078 -0.190 -6.510 1.00 1.17 H new ATOM 0 HB2 ASN A 37 8.179 1.733 -7.969 1.00 1.55 H new ATOM 0 HB3 ASN A 37 9.727 1.495 -7.182 1.00 1.55 H new ATOM 0 HD21 ASN A 37 11.571 0.962 -10.153 1.00 2.51 H new ATOM 0 HD22 ASN A 37 11.552 0.844 -8.390 1.00 2.51 H new ATOM 578 N MET A 38 6.355 -0.774 -8.215 1.00 1.01 N ATOM 579 CA MET A 38 5.334 -1.352 -9.063 1.00 0.99 C ATOM 580 C MET A 38 4.788 -0.316 -10.040 1.00 0.86 C ATOM 581 O MET A 38 4.783 0.886 -9.759 1.00 0.81 O ATOM 582 CB MET A 38 4.198 -1.936 -8.213 1.00 1.23 C ATOM 583 CG MET A 38 3.368 -0.902 -7.459 1.00 0.95 C ATOM 584 SD MET A 38 4.307 -0.031 -6.186 1.00 1.15 S ATOM 585 CE MET A 38 3.005 0.900 -5.387 1.00 1.32 C ATOM 0 H MET A 38 5.992 -0.244 -7.423 1.00 1.01 H new ATOM 0 HA MET A 38 5.788 -2.158 -9.639 1.00 0.99 H new ATOM 0 HB2 MET A 38 3.536 -2.510 -8.861 1.00 1.23 H new ATOM 0 HB3 MET A 38 4.624 -2.635 -7.493 1.00 1.23 H new ATOM 0 HG2 MET A 38 2.970 -0.177 -8.169 1.00 0.95 H new ATOM 0 HG3 MET A 38 2.514 -1.397 -6.997 1.00 0.95 H new ATOM 0 HE1 MET A 38 3.441 1.724 -4.822 1.00 1.32 H new ATOM 0 HE2 MET A 38 2.326 1.297 -6.142 1.00 1.32 H new ATOM 0 HE3 MET A 38 2.454 0.247 -4.710 1.00 1.32 H new ATOM 595 N PRO A 39 4.344 -0.777 -11.213 1.00 0.92 N ATOM 596 CA PRO A 39 3.733 0.081 -12.228 1.00 0.91 C ATOM 597 C PRO A 39 2.351 0.575 -11.809 1.00 0.76 C ATOM 598 O PRO A 39 1.660 -0.067 -11.012 1.00 0.83 O ATOM 599 CB PRO A 39 3.628 -0.835 -13.450 1.00 1.16 C ATOM 600 CG PRO A 39 3.563 -2.207 -12.882 1.00 1.24 C ATOM 601 CD PRO A 39 4.421 -2.180 -11.651 1.00 1.13 C ATOM 0 HA PRO A 39 4.316 0.984 -12.406 1.00 0.91 H new ATOM 0 HB2 PRO A 39 2.741 -0.608 -14.041 1.00 1.16 H new ATOM 0 HB3 PRO A 39 4.489 -0.718 -14.109 1.00 1.16 H new ATOM 0 HG2 PRO A 39 2.537 -2.481 -12.638 1.00 1.24 H new ATOM 0 HG3 PRO A 39 3.928 -2.944 -13.597 1.00 1.24 H new ATOM 0 HD2 PRO A 39 4.048 -2.861 -10.886 1.00 1.13 H new ATOM 0 HD3 PRO A 39 5.447 -2.477 -11.869 1.00 1.13 H new ATOM 609 N GLU A 40 1.956 1.711 -12.356 1.00 0.77 N ATOM 610 CA GLU A 40 0.671 2.311 -12.042 1.00 0.69 C ATOM 611 C GLU A 40 -0.455 1.558 -12.747 1.00 0.73 C ATOM 612 O GLU A 40 -0.303 1.129 -13.893 1.00 1.09 O ATOM 613 CB GLU A 40 0.660 3.781 -12.476 1.00 0.76 C ATOM 614 CG GLU A 40 -0.581 4.527 -12.025 1.00 0.72 C ATOM 615 CD GLU A 40 -0.752 5.871 -12.694 1.00 0.94 C ATOM 616 OE1 GLU A 40 -0.187 6.865 -12.187 1.00 1.09 O ATOM 617 OE2 GLU A 40 -1.425 5.939 -13.744 1.00 1.15 O ATOM 0 H GLU A 40 2.513 2.241 -13.026 1.00 0.77 H new ATOM 0 HA GLU A 40 0.514 2.252 -10.965 1.00 0.69 H new ATOM 0 HB2 GLU A 40 1.542 4.279 -12.073 1.00 0.76 H new ATOM 0 HB3 GLU A 40 0.733 3.833 -13.562 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -1.459 3.914 -12.230 1.00 0.72 H new ATOM 0 HG3 GLU A 40 -0.537 4.670 -10.945 1.00 0.72 H new ATOM 624 N GLY A 41 -1.579 1.394 -12.058 1.00 0.64 N ATOM 625 CA GLY A 41 -2.752 0.814 -12.688 1.00 0.66 C ATOM 626 C GLY A 41 -3.168 -0.521 -12.095 1.00 0.62 C ATOM 627 O GLY A 41 -4.252 -1.020 -12.395 1.00 0.68 O ATOM 0 H GLY A 41 -1.699 1.651 -11.078 1.00 0.64 H new ATOM 0 HA2 GLY A 41 -3.583 1.514 -12.602 1.00 0.66 H new ATOM 0 HA3 GLY A 41 -2.554 0.683 -13.752 1.00 0.66 H new ATOM 631 N LYS A 42 -2.326 -1.104 -11.255 1.00 0.59 N ATOM 632 CA LYS A 42 -2.608 -2.428 -10.706 1.00 0.59 C ATOM 633 C LYS A 42 -3.334 -2.371 -9.375 1.00 0.52 C ATOM 634 O LYS A 42 -2.781 -1.896 -8.382 1.00 0.54 O ATOM 635 CB LYS A 42 -1.319 -3.208 -10.485 1.00 0.67 C ATOM 636 CG LYS A 42 -0.502 -3.426 -11.740 1.00 0.85 C ATOM 637 CD LYS A 42 0.716 -4.295 -11.460 1.00 1.45 C ATOM 638 CE LYS A 42 0.310 -5.678 -10.962 1.00 1.85 C ATOM 639 NZ LYS A 42 1.483 -6.520 -10.605 1.00 2.30 N ATOM 0 H LYS A 42 -1.449 -0.689 -10.939 1.00 0.59 H new ATOM 0 HA LYS A 42 -3.246 -2.919 -11.441 1.00 0.59 H new ATOM 0 HB2 LYS A 42 -0.708 -2.678 -9.755 1.00 0.67 H new ATOM 0 HB3 LYS A 42 -1.564 -4.178 -10.052 1.00 0.67 H new ATOM 0 HG2 LYS A 42 -1.121 -3.898 -12.503 1.00 0.85 H new ATOM 0 HG3 LYS A 42 -0.181 -2.464 -12.140 1.00 0.85 H new ATOM 0 HD2 LYS A 42 1.311 -4.394 -12.368 1.00 1.45 H new ATOM 0 HD3 LYS A 42 1.348 -3.810 -10.716 1.00 1.45 H new ATOM 0 HE2 LYS A 42 -0.336 -5.572 -10.091 1.00 1.85 H new ATOM 0 HE3 LYS A 42 -0.274 -6.181 -11.732 1.00 1.85 H new ATOM 0 HZ1 LYS A 42 1.155 -7.449 -10.272 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 2.088 -6.645 -11.442 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 2.028 -6.055 -9.851 1.00 2.30 H new ATOM 653 N VAL A 43 -4.557 -2.872 -9.345 1.00 0.48 N ATOM 654 CA VAL A 43 -5.216 -3.130 -8.082 1.00 0.45 C ATOM 655 C VAL A 43 -4.814 -4.524 -7.599 1.00 0.39 C ATOM 656 O VAL A 43 -4.933 -5.511 -8.332 1.00 0.46 O ATOM 657 CB VAL A 43 -6.759 -2.982 -8.159 1.00 0.54 C ATOM 658 CG1 VAL A 43 -7.385 -3.965 -9.134 1.00 0.69 C ATOM 659 CG2 VAL A 43 -7.376 -3.131 -6.779 1.00 0.93 C ATOM 0 H VAL A 43 -5.106 -3.105 -10.172 1.00 0.48 H new ATOM 0 HA VAL A 43 -4.890 -2.376 -7.366 1.00 0.45 H new ATOM 0 HB VAL A 43 -6.969 -1.981 -8.536 1.00 0.54 H new ATOM 0 HG11 VAL A 43 -8.465 -3.822 -9.152 1.00 0.69 H new ATOM 0 HG12 VAL A 43 -6.980 -3.796 -10.132 1.00 0.69 H new ATOM 0 HG13 VAL A 43 -7.159 -4.984 -8.819 1.00 0.69 H new ATOM 0 HG21 VAL A 43 -8.458 -3.025 -6.851 1.00 0.93 H new ATOM 0 HG22 VAL A 43 -7.134 -4.115 -6.377 1.00 0.93 H new ATOM 0 HG23 VAL A 43 -6.979 -2.361 -6.118 1.00 0.93 H new ATOM 669 N MET A 44 -4.298 -4.597 -6.389 1.00 0.35 N ATOM 670 CA MET A 44 -3.738 -5.837 -5.876 1.00 0.36 C ATOM 671 C MET A 44 -4.468 -6.273 -4.614 1.00 0.34 C ATOM 672 O MET A 44 -5.018 -5.441 -3.887 1.00 0.39 O ATOM 673 CB MET A 44 -2.249 -5.650 -5.586 1.00 0.46 C ATOM 674 CG MET A 44 -1.437 -5.273 -6.816 1.00 0.76 C ATOM 675 SD MET A 44 0.266 -4.820 -6.426 1.00 1.31 S ATOM 676 CE MET A 44 0.008 -3.388 -5.380 1.00 1.20 C ATOM 0 H MET A 44 -4.253 -3.812 -5.739 1.00 0.35 H new ATOM 0 HA MET A 44 -3.862 -6.615 -6.629 1.00 0.36 H new ATOM 0 HB2 MET A 44 -2.128 -4.875 -4.829 1.00 0.46 H new ATOM 0 HB3 MET A 44 -1.850 -6.573 -5.165 1.00 0.46 H new ATOM 0 HG2 MET A 44 -1.434 -6.111 -7.513 1.00 0.76 H new ATOM 0 HG3 MET A 44 -1.922 -4.439 -7.323 1.00 0.76 H new ATOM 0 HE1 MET A 44 0.908 -2.773 -5.376 1.00 1.20 H new ATOM 0 HE2 MET A 44 -0.829 -2.804 -5.763 1.00 1.20 H new ATOM 0 HE3 MET A 44 -0.213 -3.715 -4.364 1.00 1.20 H new ATOM 686 N GLU A 45 -4.474 -7.573 -4.358 1.00 0.31 N ATOM 687 CA GLU A 45 -5.122 -8.115 -3.174 1.00 0.34 C ATOM 688 C GLU A 45 -4.152 -8.219 -2.017 1.00 0.30 C ATOM 689 O GLU A 45 -2.985 -8.592 -2.181 1.00 0.35 O ATOM 690 CB GLU A 45 -5.739 -9.479 -3.457 1.00 0.47 C ATOM 691 CG GLU A 45 -7.189 -9.397 -3.878 1.00 0.99 C ATOM 692 CD GLU A 45 -7.727 -10.719 -4.375 1.00 1.17 C ATOM 693 OE1 GLU A 45 -7.135 -11.289 -5.310 1.00 1.43 O ATOM 694 OE2 GLU A 45 -8.736 -11.206 -3.816 1.00 1.64 O ATOM 0 H GLU A 45 -4.036 -8.273 -4.956 1.00 0.31 H new ATOM 0 HA GLU A 45 -5.919 -7.424 -2.899 1.00 0.34 H new ATOM 0 HB2 GLU A 45 -5.167 -9.975 -4.241 1.00 0.47 H new ATOM 0 HB3 GLU A 45 -5.660 -10.099 -2.564 1.00 0.47 H new ATOM 0 HG2 GLU A 45 -7.790 -9.059 -3.034 1.00 0.99 H new ATOM 0 HG3 GLU A 45 -7.293 -8.648 -4.663 1.00 0.99 H new ATOM 701 N THR A 46 -4.658 -7.898 -0.846 1.00 0.29 N ATOM 702 CA THR A 46 -3.871 -7.942 0.362 1.00 0.31 C ATOM 703 C THR A 46 -4.221 -9.181 1.173 1.00 0.39 C ATOM 704 O THR A 46 -5.261 -9.806 0.957 1.00 0.49 O ATOM 705 CB THR A 46 -4.110 -6.699 1.235 1.00 0.42 C ATOM 706 OG1 THR A 46 -5.453 -6.712 1.727 1.00 0.53 O ATOM 707 CG2 THR A 46 -3.866 -5.419 0.449 1.00 0.50 C ATOM 0 H THR A 46 -5.624 -7.600 -0.707 1.00 0.29 H new ATOM 0 HA THR A 46 -2.822 -7.970 0.066 1.00 0.31 H new ATOM 0 HB THR A 46 -3.408 -6.726 2.069 1.00 0.42 H new ATOM 0 HG1 THR A 46 -5.668 -5.838 2.114 1.00 0.53 H new ATOM 0 HG21 THR A 46 -4.043 -4.557 1.093 1.00 0.50 H new ATOM 0 HG22 THR A 46 -2.836 -5.401 0.094 1.00 0.50 H new ATOM 0 HG23 THR A 46 -4.544 -5.380 -0.403 1.00 0.50 H new ATOM 715 N ARG A 47 -3.345 -9.532 2.097 1.00 0.39 N ATOM 716 CA ARG A 47 -3.602 -10.578 3.077 1.00 0.51 C ATOM 717 C ARG A 47 -4.825 -10.253 3.925 1.00 0.72 C ATOM 718 O ARG A 47 -5.446 -11.130 4.522 1.00 0.92 O ATOM 719 CB ARG A 47 -2.388 -10.692 3.989 1.00 0.54 C ATOM 720 CG ARG A 47 -1.213 -11.416 3.358 1.00 0.95 C ATOM 721 CD ARG A 47 -1.282 -12.906 3.624 1.00 1.27 C ATOM 722 NE ARG A 47 -0.496 -13.680 2.659 1.00 2.09 N ATOM 723 CZ ARG A 47 0.537 -14.458 2.986 1.00 2.77 C ATOM 724 NH1 ARG A 47 0.964 -14.522 4.240 1.00 2.94 N ATOM 725 NH2 ARG A 47 1.154 -15.166 2.048 1.00 3.73 N ATOM 0 H ARG A 47 -2.427 -9.097 2.191 1.00 0.39 H new ATOM 0 HA ARG A 47 -3.789 -11.514 2.550 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -2.071 -9.691 4.283 1.00 0.54 H new ATOM 0 HB3 ARG A 47 -2.678 -11.215 4.900 1.00 0.54 H new ATOM 0 HG2 ARG A 47 -1.206 -11.236 2.283 1.00 0.95 H new ATOM 0 HG3 ARG A 47 -0.280 -11.016 3.755 1.00 0.95 H new ATOM 0 HD2 ARG A 47 -0.920 -13.110 4.631 1.00 1.27 H new ATOM 0 HD3 ARG A 47 -2.322 -13.232 3.587 1.00 1.27 H new ATOM 0 HE ARG A 47 -0.755 -13.620 1.674 1.00 2.09 H new ATOM 0 HH11 ARG A 47 0.502 -13.973 4.965 1.00 2.94 H new ATOM 0 HH12 ARG A 47 1.755 -15.120 4.480 1.00 2.94 H new ATOM 0 HH21 ARG A 47 0.838 -15.114 1.080 1.00 3.73 H new ATOM 0 HH22 ARG A 47 1.944 -15.762 2.296 1.00 3.73 H new ATOM 739 N ASP A 48 -5.157 -8.981 3.954 1.00 0.78 N ATOM 740 CA ASP A 48 -6.174 -8.456 4.839 1.00 1.06 C ATOM 741 C ASP A 48 -7.564 -8.514 4.192 1.00 1.04 C ATOM 742 O ASP A 48 -8.568 -8.117 4.786 1.00 1.45 O ATOM 743 CB ASP A 48 -5.754 -7.033 5.202 1.00 1.30 C ATOM 744 CG ASP A 48 -6.780 -6.262 6.007 1.00 1.83 C ATOM 745 OD1 ASP A 48 -6.980 -6.605 7.195 1.00 2.70 O ATOM 746 OD2 ASP A 48 -7.410 -5.333 5.455 1.00 1.79 O ATOM 0 H ASP A 48 -4.724 -8.275 3.358 1.00 0.78 H new ATOM 0 HA ASP A 48 -6.256 -9.059 5.743 1.00 1.06 H new ATOM 0 HB2 ASP A 48 -4.824 -7.075 5.768 1.00 1.30 H new ATOM 0 HB3 ASP A 48 -5.544 -6.484 4.284 1.00 1.30 H new ATOM 751 N GLY A 49 -7.617 -9.035 2.970 1.00 0.68 N ATOM 752 CA GLY A 49 -8.884 -9.196 2.294 1.00 0.72 C ATOM 753 C GLY A 49 -9.345 -7.901 1.683 1.00 0.70 C ATOM 754 O GLY A 49 -10.525 -7.725 1.372 1.00 0.77 O ATOM 0 H GLY A 49 -6.804 -9.347 2.439 1.00 0.68 H new ATOM 0 HA2 GLY A 49 -8.790 -9.954 1.517 1.00 0.72 H new ATOM 0 HA3 GLY A 49 -9.633 -9.554 3.000 1.00 0.72 H new ATOM 758 N THR A 50 -8.413 -6.983 1.530 1.00 0.65 N ATOM 759 CA THR A 50 -8.701 -5.702 0.938 1.00 0.69 C ATOM 760 C THR A 50 -7.945 -5.559 -0.374 1.00 0.55 C ATOM 761 O THR A 50 -7.112 -6.401 -0.718 1.00 0.52 O ATOM 762 CB THR A 50 -8.334 -4.551 1.899 1.00 0.83 C ATOM 763 OG1 THR A 50 -7.051 -4.782 2.501 1.00 1.25 O ATOM 764 CG2 THR A 50 -9.376 -4.403 2.993 1.00 1.35 C ATOM 0 H THR A 50 -7.441 -7.107 1.812 1.00 0.65 H new ATOM 0 HA THR A 50 -9.772 -5.645 0.742 1.00 0.69 H new ATOM 0 HB THR A 50 -8.299 -3.633 1.312 1.00 0.83 H new ATOM 0 HG1 THR A 50 -7.163 -4.928 3.464 1.00 1.25 H new ATOM 0 HG21 THR A 50 -9.094 -3.585 3.656 1.00 1.35 H new ATOM 0 HG22 THR A 50 -10.346 -4.188 2.545 1.00 1.35 H new ATOM 0 HG23 THR A 50 -9.438 -5.329 3.565 1.00 1.35 H new ATOM 772 N LYS A 51 -8.244 -4.506 -1.109 1.00 0.53 N ATOM 773 CA LYS A 51 -7.573 -4.249 -2.369 1.00 0.52 C ATOM 774 C LYS A 51 -7.002 -2.847 -2.377 1.00 0.51 C ATOM 775 O LYS A 51 -7.575 -1.929 -1.783 1.00 0.56 O ATOM 776 CB LYS A 51 -8.528 -4.444 -3.546 1.00 0.59 C ATOM 777 CG LYS A 51 -8.990 -5.880 -3.707 1.00 0.67 C ATOM 778 CD LYS A 51 -9.886 -6.057 -4.919 1.00 1.19 C ATOM 779 CE LYS A 51 -10.355 -7.494 -5.046 1.00 1.26 C ATOM 780 NZ LYS A 51 -11.231 -7.695 -6.229 1.00 1.84 N ATOM 0 H LYS A 51 -8.948 -3.813 -0.855 1.00 0.53 H new ATOM 0 HA LYS A 51 -6.757 -4.963 -2.476 1.00 0.52 H new ATOM 0 HB2 LYS A 51 -9.398 -3.802 -3.410 1.00 0.59 H new ATOM 0 HB3 LYS A 51 -8.035 -4.122 -4.463 1.00 0.59 H new ATOM 0 HG2 LYS A 51 -8.121 -6.532 -3.800 1.00 0.67 H new ATOM 0 HG3 LYS A 51 -9.527 -6.191 -2.811 1.00 0.67 H new ATOM 0 HD2 LYS A 51 -10.749 -5.396 -4.837 1.00 1.19 H new ATOM 0 HD3 LYS A 51 -9.346 -5.766 -5.820 1.00 1.19 H new ATOM 0 HE2 LYS A 51 -9.489 -8.152 -5.121 1.00 1.26 H new ATOM 0 HE3 LYS A 51 -10.895 -7.779 -4.143 1.00 1.26 H new ATOM 0 HZ1 LYS A 51 -11.528 -8.691 -6.276 1.00 1.84 H new ATOM 0 HZ2 LYS A 51 -12.071 -7.087 -6.146 1.00 1.84 H new ATOM 0 HZ3 LYS A 51 -10.709 -7.448 -7.094 1.00 1.84 H new ATOM 794 N ILE A 52 -5.855 -2.696 -3.019 1.00 0.47 N ATOM 795 CA ILE A 52 -5.185 -1.411 -3.101 1.00 0.46 C ATOM 796 C ILE A 52 -4.639 -1.176 -4.505 1.00 0.46 C ATOM 797 O ILE A 52 -4.437 -2.121 -5.265 1.00 0.52 O ATOM 798 CB ILE A 52 -4.017 -1.306 -2.091 1.00 0.48 C ATOM 799 CG1 ILE A 52 -3.010 -2.440 -2.317 1.00 0.49 C ATOM 800 CG2 ILE A 52 -4.535 -1.326 -0.660 1.00 0.66 C ATOM 801 CD1 ILE A 52 -1.791 -2.368 -1.422 1.00 0.51 C ATOM 0 H ILE A 52 -5.366 -3.455 -3.494 1.00 0.47 H new ATOM 0 HA ILE A 52 -5.930 -0.653 -2.859 1.00 0.46 H new ATOM 0 HB ILE A 52 -3.509 -0.355 -2.253 1.00 0.48 H new ATOM 0 HG12 ILE A 52 -3.511 -3.395 -2.155 1.00 0.49 H new ATOM 0 HG13 ILE A 52 -2.686 -2.422 -3.358 1.00 0.49 H new ATOM 0 HG21 ILE A 52 -3.696 -1.251 0.032 1.00 0.66 H new ATOM 0 HG22 ILE A 52 -5.209 -0.484 -0.505 1.00 0.66 H new ATOM 0 HG23 ILE A 52 -5.071 -2.258 -0.480 1.00 0.66 H new ATOM 0 HD11 ILE A 52 -1.128 -3.204 -1.643 1.00 0.51 H new ATOM 0 HD12 ILE A 52 -1.264 -1.430 -1.599 1.00 0.51 H new ATOM 0 HD13 ILE A 52 -2.102 -2.418 -0.379 1.00 0.51 H new ATOM 813 N ILE A 53 -4.397 0.081 -4.832 1.00 0.42 N ATOM 814 CA ILE A 53 -3.740 0.439 -6.095 1.00 0.41 C ATOM 815 C ILE A 53 -3.090 1.807 -5.968 1.00 0.42 C ATOM 816 O ILE A 53 -3.524 2.634 -5.173 1.00 0.44 O ATOM 817 CB ILE A 53 -4.690 0.419 -7.340 1.00 0.40 C ATOM 818 CG1 ILE A 53 -3.973 0.956 -8.595 1.00 0.43 C ATOM 819 CG2 ILE A 53 -5.962 1.209 -7.089 1.00 0.42 C ATOM 820 CD1 ILE A 53 -4.893 1.301 -9.749 1.00 0.98 C ATOM 0 H ILE A 53 -4.643 0.878 -4.245 1.00 0.42 H new ATOM 0 HA ILE A 53 -2.990 -0.331 -6.273 1.00 0.41 H new ATOM 0 HB ILE A 53 -4.966 -0.621 -7.513 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -3.407 1.846 -8.321 1.00 0.43 H new ATOM 0 HG13 ILE A 53 -3.252 0.211 -8.932 1.00 0.43 H new ATOM 0 HG21 ILE A 53 -6.595 1.171 -7.976 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -6.497 0.778 -6.243 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -5.709 2.246 -6.868 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -4.302 1.670 -10.587 1.00 0.98 H new ATOM 0 HD12 ILE A 53 -5.441 0.410 -10.056 1.00 0.98 H new ATOM 0 HD13 ILE A 53 -5.598 2.071 -9.435 1.00 0.98 H new ATOM 832 N MET A 54 -2.050 2.037 -6.750 1.00 0.44 N ATOM 833 CA MET A 54 -1.371 3.316 -6.774 1.00 0.47 C ATOM 834 C MET A 54 -1.578 3.948 -8.136 1.00 0.48 C ATOM 835 O MET A 54 -1.016 3.488 -9.129 1.00 0.54 O ATOM 836 CB MET A 54 0.124 3.152 -6.497 1.00 0.52 C ATOM 837 CG MET A 54 0.911 4.447 -6.628 1.00 0.60 C ATOM 838 SD MET A 54 2.682 4.219 -6.383 1.00 1.08 S ATOM 839 CE MET A 54 3.274 5.891 -6.632 1.00 1.50 C ATOM 0 H MET A 54 -1.655 1.343 -7.384 1.00 0.44 H new ATOM 0 HA MET A 54 -1.785 3.954 -5.994 1.00 0.47 H new ATOM 0 HB2 MET A 54 0.258 2.755 -5.491 1.00 0.52 H new ATOM 0 HB3 MET A 54 0.535 2.415 -7.187 1.00 0.52 H new ATOM 0 HG2 MET A 54 0.738 4.873 -7.616 1.00 0.60 H new ATOM 0 HG3 MET A 54 0.538 5.168 -5.900 1.00 0.60 H new ATOM 0 HE1 MET A 54 4.227 6.019 -6.120 1.00 1.50 H new ATOM 0 HE2 MET A 54 3.407 6.075 -7.698 1.00 1.50 H new ATOM 0 HE3 MET A 54 2.548 6.598 -6.230 1.00 1.50 H new ATOM 849 N LYS A 55 -2.413 4.969 -8.192 1.00 0.52 N ATOM 850 CA LYS A 55 -2.678 5.644 -9.446 1.00 0.58 C ATOM 851 C LYS A 55 -2.871 7.131 -9.219 1.00 0.66 C ATOM 852 O LYS A 55 -3.409 7.549 -8.193 1.00 0.70 O ATOM 853 CB LYS A 55 -3.895 5.042 -10.140 1.00 0.72 C ATOM 854 CG LYS A 55 -3.858 5.251 -11.640 1.00 0.95 C ATOM 855 CD LYS A 55 -4.941 4.475 -12.352 1.00 0.94 C ATOM 856 CE LYS A 55 -4.734 4.499 -13.858 1.00 1.11 C ATOM 857 NZ LYS A 55 -4.479 5.874 -14.364 1.00 1.69 N ATOM 0 H LYS A 55 -2.916 5.346 -7.389 1.00 0.52 H new ATOM 0 HA LYS A 55 -1.815 5.505 -10.097 1.00 0.58 H new ATOM 0 HB2 LYS A 55 -3.943 3.975 -9.924 1.00 0.72 H new ATOM 0 HB3 LYS A 55 -4.802 5.491 -9.734 1.00 0.72 H new ATOM 0 HG2 LYS A 55 -3.970 6.313 -11.860 1.00 0.95 H new ATOM 0 HG3 LYS A 55 -2.884 4.947 -12.023 1.00 0.95 H new ATOM 0 HD2 LYS A 55 -4.945 3.444 -11.999 1.00 0.94 H new ATOM 0 HD3 LYS A 55 -5.915 4.899 -12.109 1.00 0.94 H new ATOM 0 HE2 LYS A 55 -3.894 3.855 -14.119 1.00 1.11 H new ATOM 0 HE3 LYS A 55 -5.615 4.089 -14.352 1.00 1.11 H new ATOM 0 HZ1 LYS A 55 -4.726 5.924 -15.373 1.00 1.69 H new ATOM 0 HZ2 LYS A 55 -5.059 6.553 -13.832 1.00 1.69 H new ATOM 0 HZ3 LYS A 55 -3.473 6.108 -14.242 1.00 1.69 H new ATOM 871 N GLY A 56 -2.434 7.921 -10.190 1.00 0.77 N ATOM 872 CA GLY A 56 -2.478 9.367 -10.057 1.00 0.93 C ATOM 873 C GLY A 56 -1.603 9.870 -8.923 1.00 0.94 C ATOM 874 O GLY A 56 -1.937 10.866 -8.282 1.00 1.21 O ATOM 0 H GLY A 56 -2.048 7.586 -11.072 1.00 0.77 H new ATOM 0 HA2 GLY A 56 -2.156 9.825 -10.992 1.00 0.93 H new ATOM 0 HA3 GLY A 56 -3.507 9.682 -9.886 1.00 0.93 H new ATOM 878 N ASN A 57 -0.495 9.157 -8.670 1.00 0.99 N ATOM 879 CA ASN A 57 0.446 9.484 -7.579 1.00 1.05 C ATOM 880 C ASN A 57 -0.162 9.144 -6.211 1.00 0.97 C ATOM 881 O ASN A 57 0.521 9.136 -5.192 1.00 1.15 O ATOM 882 CB ASN A 57 0.863 10.962 -7.639 1.00 1.30 C ATOM 883 CG ASN A 57 1.935 11.320 -6.625 1.00 1.96 C ATOM 884 OD1 ASN A 57 3.130 11.208 -6.902 1.00 2.10 O ATOM 885 ND2 ASN A 57 1.517 11.755 -5.448 1.00 2.90 N ATOM 0 H ASN A 57 -0.223 8.338 -9.213 1.00 0.99 H new ATOM 0 HA ASN A 57 1.340 8.875 -7.712 1.00 1.05 H new ATOM 0 HB2 ASN A 57 1.228 11.190 -8.640 1.00 1.30 H new ATOM 0 HB3 ASN A 57 -0.013 11.588 -7.469 1.00 1.30 H new ATOM 0 HD21 ASN A 57 2.194 12.012 -4.730 1.00 2.90 H new ATOM 0 HD22 ASN A 57 0.518 11.833 -5.259 1.00 2.90 H new ATOM 892 N GLU A 58 -1.439 8.819 -6.223 1.00 0.86 N ATOM 893 CA GLU A 58 -2.167 8.501 -5.005 1.00 0.84 C ATOM 894 C GLU A 58 -2.212 6.999 -4.789 1.00 0.69 C ATOM 895 O GLU A 58 -1.670 6.228 -5.584 1.00 0.75 O ATOM 896 CB GLU A 58 -3.596 9.038 -5.075 1.00 0.88 C ATOM 897 CG GLU A 58 -3.687 10.555 -5.142 1.00 1.05 C ATOM 898 CD GLU A 58 -5.121 11.049 -5.189 1.00 1.30 C ATOM 899 OE1 GLU A 58 -5.688 11.128 -6.298 1.00 1.63 O ATOM 900 OE2 GLU A 58 -5.689 11.355 -4.117 1.00 1.66 O ATOM 0 H GLU A 58 -2.002 8.767 -7.072 1.00 0.86 H new ATOM 0 HA GLU A 58 -1.645 8.972 -4.172 1.00 0.84 H new ATOM 0 HB2 GLU A 58 -4.089 8.616 -5.951 1.00 0.88 H new ATOM 0 HB3 GLU A 58 -4.147 8.690 -4.201 1.00 0.88 H new ATOM 0 HG2 GLU A 58 -3.186 10.985 -4.274 1.00 1.05 H new ATOM 0 HG3 GLU A 58 -3.155 10.909 -6.025 1.00 1.05 H new ATOM 907 N ILE A 59 -2.868 6.592 -3.717 1.00 0.64 N ATOM 908 CA ILE A 59 -3.108 5.192 -3.469 1.00 0.56 C ATOM 909 C ILE A 59 -4.544 4.987 -3.012 1.00 0.55 C ATOM 910 O ILE A 59 -5.045 5.682 -2.124 1.00 0.63 O ATOM 911 CB ILE A 59 -2.097 4.578 -2.457 1.00 0.62 C ATOM 912 CG1 ILE A 59 -1.233 3.540 -3.180 1.00 0.79 C ATOM 913 CG2 ILE A 59 -2.792 3.961 -1.246 1.00 0.58 C ATOM 914 CD1 ILE A 59 -0.389 2.680 -2.266 1.00 0.92 C ATOM 0 H ILE A 59 -3.243 7.218 -3.005 1.00 0.64 H new ATOM 0 HA ILE A 59 -2.953 4.660 -4.407 1.00 0.56 H new ATOM 0 HB ILE A 59 -1.466 5.380 -2.073 1.00 0.62 H new ATOM 0 HG12 ILE A 59 -1.882 2.893 -3.770 1.00 0.79 H new ATOM 0 HG13 ILE A 59 -0.577 4.057 -3.880 1.00 0.79 H new ATOM 0 HG21 ILE A 59 -2.045 3.546 -0.570 1.00 0.58 H new ATOM 0 HG22 ILE A 59 -3.366 4.728 -0.726 1.00 0.58 H new ATOM 0 HG23 ILE A 59 -3.462 3.168 -1.576 1.00 0.58 H new ATOM 0 HD11 ILE A 59 0.190 1.974 -2.862 1.00 0.92 H new ATOM 0 HD12 ILE A 59 0.289 3.313 -1.694 1.00 0.92 H new ATOM 0 HD13 ILE A 59 -1.037 2.132 -1.582 1.00 0.92 H new ATOM 926 N PHE A 60 -5.214 4.073 -3.678 1.00 0.48 N ATOM 927 CA PHE A 60 -6.529 3.640 -3.281 1.00 0.48 C ATOM 928 C PHE A 60 -6.385 2.562 -2.223 1.00 0.48 C ATOM 929 O PHE A 60 -5.845 1.489 -2.472 1.00 0.45 O ATOM 930 CB PHE A 60 -7.305 3.163 -4.525 1.00 0.50 C ATOM 931 CG PHE A 60 -8.197 1.949 -4.355 1.00 0.48 C ATOM 932 CD1 PHE A 60 -7.685 0.664 -4.411 1.00 0.44 C ATOM 933 CD2 PHE A 60 -9.544 2.109 -4.083 1.00 0.69 C ATOM 934 CE1 PHE A 60 -8.506 -0.432 -4.199 1.00 0.47 C ATOM 935 CE2 PHE A 60 -10.367 1.027 -3.881 1.00 0.71 C ATOM 936 CZ PHE A 60 -9.815 -0.305 -4.153 1.00 0.54 C ATOM 0 H PHE A 60 -4.858 3.609 -4.514 1.00 0.48 H new ATOM 0 HA PHE A 60 -7.102 4.457 -2.843 1.00 0.48 H new ATOM 0 HB2 PHE A 60 -7.922 3.990 -4.878 1.00 0.50 H new ATOM 0 HB3 PHE A 60 -6.583 2.946 -5.312 1.00 0.50 H new ATOM 0 HD1 PHE A 60 -6.636 0.514 -4.622 1.00 0.44 H new ATOM 0 HD2 PHE A 60 -9.958 3.105 -4.028 1.00 0.69 H new ATOM 0 HE1 PHE A 60 -8.063 -1.409 -4.069 1.00 0.47 H new ATOM 0 HE2 PHE A 60 -11.382 1.153 -3.535 1.00 0.71 H new ATOM 0 HZ PHE A 60 -10.463 -1.155 -4.311 1.00 0.54 H new ATOM 946 N ARG A 61 -6.789 2.896 -1.022 1.00 0.60 N ATOM 947 CA ARG A 61 -6.883 1.920 0.035 1.00 0.70 C ATOM 948 C ARG A 61 -8.326 1.901 0.491 1.00 0.69 C ATOM 949 O ARG A 61 -8.780 2.812 1.183 1.00 0.88 O ATOM 950 CB ARG A 61 -5.911 2.227 1.187 1.00 1.03 C ATOM 951 CG ARG A 61 -6.035 1.304 2.404 1.00 1.21 C ATOM 952 CD ARG A 61 -6.388 -0.127 2.023 1.00 1.51 C ATOM 953 NE ARG A 61 -6.318 -1.066 3.151 1.00 2.25 N ATOM 954 CZ ARG A 61 -7.033 -0.976 4.285 1.00 2.70 C ATOM 955 NH1 ARG A 61 -7.761 0.106 4.559 1.00 2.72 N ATOM 956 NH2 ARG A 61 -6.984 -1.968 5.167 1.00 3.56 N ATOM 0 H ARG A 61 -7.059 3.842 -0.752 1.00 0.60 H new ATOM 0 HA ARG A 61 -6.591 0.934 -0.327 1.00 0.70 H new ATOM 0 HB2 ARG A 61 -4.891 2.167 0.807 1.00 1.03 H new ATOM 0 HB3 ARG A 61 -6.070 3.255 1.512 1.00 1.03 H new ATOM 0 HG2 ARG A 61 -5.094 1.307 2.955 1.00 1.21 H new ATOM 0 HG3 ARG A 61 -6.799 1.696 3.076 1.00 1.21 H new ATOM 0 HD2 ARG A 61 -7.395 -0.146 1.606 1.00 1.51 H new ATOM 0 HD3 ARG A 61 -5.711 -0.463 1.237 1.00 1.51 H new ATOM 0 HE ARG A 61 -5.673 -1.852 3.066 1.00 2.25 H new ATOM 0 HH11 ARG A 61 -7.783 0.886 3.902 1.00 2.72 H new ATOM 0 HH12 ARG A 61 -8.297 0.154 5.426 1.00 2.72 H new ATOM 0 HH21 ARG A 61 -6.407 -2.788 4.980 1.00 3.56 H new ATOM 0 HH22 ARG A 61 -7.523 -1.909 6.031 1.00 3.56 H new ATOM 970 N LEU A 62 -9.009 0.828 0.123 1.00 0.78 N ATOM 971 CA LEU A 62 -10.476 0.746 0.207 1.00 1.07 C ATOM 972 C LEU A 62 -11.182 1.828 -0.610 1.00 1.19 C ATOM 973 O LEU A 62 -12.155 1.537 -1.309 1.00 1.40 O ATOM 974 CB LEU A 62 -10.940 0.874 1.657 1.00 1.26 C ATOM 975 CG LEU A 62 -11.117 -0.438 2.399 1.00 1.08 C ATOM 976 CD1 LEU A 62 -12.222 -1.256 1.749 1.00 1.36 C ATOM 977 CD2 LEU A 62 -9.816 -1.211 2.417 1.00 1.32 C ATOM 0 H LEU A 62 -8.570 -0.016 -0.244 1.00 0.78 H new ATOM 0 HA LEU A 62 -10.742 -0.228 -0.204 1.00 1.07 H new ATOM 0 HB2 LEU A 62 -10.219 1.485 2.200 1.00 1.26 H new ATOM 0 HB3 LEU A 62 -11.888 1.412 1.672 1.00 1.26 H new ATOM 0 HG LEU A 62 -11.402 -0.228 3.430 1.00 1.08 H new ATOM 0 HD11 LEU A 62 -12.343 -2.196 2.287 1.00 1.36 H new ATOM 0 HD12 LEU A 62 -13.157 -0.696 1.782 1.00 1.36 H new ATOM 0 HD13 LEU A 62 -11.959 -1.463 0.712 1.00 1.36 H new ATOM 0 HD21 LEU A 62 -9.958 -2.150 2.952 1.00 1.32 H new ATOM 0 HD22 LEU A 62 -9.503 -1.420 1.394 1.00 1.32 H new ATOM 0 HD23 LEU A 62 -9.049 -0.620 2.917 1.00 1.32 H new ATOM 989 N ASP A 63 -10.710 3.075 -0.464 1.00 1.20 N ATOM 990 CA ASP A 63 -11.374 4.268 -0.978 1.00 1.33 C ATOM 991 C ASP A 63 -12.542 4.623 -0.073 1.00 1.52 C ATOM 992 O ASP A 63 -12.685 5.758 0.366 1.00 2.14 O ATOM 993 CB ASP A 63 -11.810 4.084 -2.432 1.00 1.34 C ATOM 994 CG ASP A 63 -12.711 5.191 -2.936 1.00 1.60 C ATOM 995 OD1 ASP A 63 -12.213 6.310 -3.165 1.00 1.69 O ATOM 996 OD2 ASP A 63 -13.917 4.932 -3.133 1.00 1.88 O ATOM 0 H ASP A 63 -9.839 3.280 0.025 1.00 1.20 H new ATOM 0 HA ASP A 63 -10.668 5.099 -0.974 1.00 1.33 H new ATOM 0 HB2 ASP A 63 -10.924 4.031 -3.065 1.00 1.34 H new ATOM 0 HB3 ASP A 63 -12.329 3.131 -2.530 1.00 1.34 H new ATOM 1001 N GLU A 64 -13.319 3.609 0.254 1.00 1.62 N ATOM 1002 CA GLU A 64 -14.442 3.728 1.177 1.00 1.93 C ATOM 1003 C GLU A 64 -13.977 4.172 2.567 1.00 1.82 C ATOM 1004 O GLU A 64 -14.620 4.997 3.217 1.00 2.06 O ATOM 1005 CB GLU A 64 -15.150 2.378 1.287 1.00 2.31 C ATOM 1006 CG GLU A 64 -15.593 1.808 -0.049 1.00 2.80 C ATOM 1007 CD GLU A 64 -16.863 2.443 -0.566 1.00 3.36 C ATOM 1008 OE1 GLU A 64 -16.781 3.575 -1.088 1.00 3.77 O ATOM 1009 OE2 GLU A 64 -17.937 1.825 -0.469 1.00 3.80 O ATOM 0 H GLU A 64 -13.191 2.667 -0.115 1.00 1.62 H new ATOM 0 HA GLU A 64 -15.125 4.483 0.789 1.00 1.93 H new ATOM 0 HB2 GLU A 64 -14.482 1.666 1.772 1.00 2.31 H new ATOM 0 HB3 GLU A 64 -16.022 2.487 1.932 1.00 2.31 H new ATOM 0 HG2 GLU A 64 -14.798 1.950 -0.781 1.00 2.80 H new ATOM 0 HG3 GLU A 64 -15.745 0.733 0.052 1.00 2.80 H new ATOM 1016 N ALA A 65 -12.853 3.619 3.011 1.00 1.56 N ATOM 1017 CA ALA A 65 -12.303 3.926 4.328 1.00 1.58 C ATOM 1018 C ALA A 65 -11.881 5.383 4.419 1.00 1.62 C ATOM 1019 O ALA A 65 -12.060 6.038 5.447 1.00 1.76 O ATOM 1020 CB ALA A 65 -11.114 3.028 4.617 1.00 1.52 C ATOM 0 H ALA A 65 -12.301 2.951 2.474 1.00 1.56 H new ATOM 0 HA ALA A 65 -13.082 3.748 5.070 1.00 1.58 H new ATOM 0 HB1 ALA A 65 -10.710 3.264 5.602 1.00 1.52 H new ATOM 0 HB2 ALA A 65 -11.432 1.986 4.596 1.00 1.52 H new ATOM 0 HB3 ALA A 65 -10.345 3.188 3.862 1.00 1.52 H new ATOM 1026 N LEU A 66 -11.327 5.875 3.326 1.00 1.64 N ATOM 1027 CA LEU A 66 -10.796 7.227 3.268 1.00 1.88 C ATOM 1028 C LEU A 66 -11.904 8.250 3.014 1.00 2.10 C ATOM 1029 O LEU A 66 -11.913 9.324 3.619 1.00 2.36 O ATOM 1030 CB LEU A 66 -9.729 7.298 2.178 1.00 2.16 C ATOM 1031 CG LEU A 66 -8.504 6.414 2.430 1.00 1.52 C ATOM 1032 CD1 LEU A 66 -7.889 5.963 1.116 1.00 1.76 C ATOM 1033 CD2 LEU A 66 -7.475 7.155 3.275 1.00 1.84 C ATOM 0 H LEU A 66 -11.232 5.352 2.456 1.00 1.64 H new ATOM 0 HA LEU A 66 -10.348 7.473 4.231 1.00 1.88 H new ATOM 0 HB2 LEU A 66 -10.179 7.011 1.228 1.00 2.16 H new ATOM 0 HB3 LEU A 66 -9.400 8.332 2.076 1.00 2.16 H new ATOM 0 HG LEU A 66 -8.827 5.529 2.978 1.00 1.52 H new ATOM 0 HD11 LEU A 66 -7.020 5.336 1.317 1.00 1.76 H new ATOM 0 HD12 LEU A 66 -8.624 5.393 0.547 1.00 1.76 H new ATOM 0 HD13 LEU A 66 -7.581 6.836 0.540 1.00 1.76 H new ATOM 0 HD21 LEU A 66 -6.612 6.512 3.444 1.00 1.84 H new ATOM 0 HD22 LEU A 66 -7.158 8.058 2.753 1.00 1.84 H new ATOM 0 HD23 LEU A 66 -7.918 7.426 4.233 1.00 1.84 H new ATOM 1045 N ARG A 67 -12.841 7.912 2.131 1.00 2.14 N ATOM 1046 CA ARG A 67 -13.935 8.820 1.795 1.00 2.52 C ATOM 1047 C ARG A 67 -14.863 9.027 2.991 1.00 2.72 C ATOM 1048 O ARG A 67 -15.342 10.134 3.231 1.00 3.05 O ATOM 1049 CB ARG A 67 -14.726 8.294 0.589 1.00 2.77 C ATOM 1050 CG ARG A 67 -15.438 6.975 0.841 1.00 3.00 C ATOM 1051 CD ARG A 67 -16.160 6.477 -0.397 1.00 3.22 C ATOM 1052 NE ARG A 67 -17.301 7.316 -0.747 1.00 3.39 N ATOM 1053 CZ ARG A 67 -18.484 6.839 -1.119 1.00 3.94 C ATOM 1054 NH1 ARG A 67 -18.679 5.527 -1.212 1.00 4.45 N ATOM 1055 NH2 ARG A 67 -19.471 7.676 -1.406 1.00 4.37 N ATOM 0 H ARG A 67 -12.865 7.020 1.637 1.00 2.14 H new ATOM 0 HA ARG A 67 -13.500 9.784 1.531 1.00 2.52 H new ATOM 0 HB2 ARG A 67 -15.463 9.042 0.297 1.00 2.77 H new ATOM 0 HB3 ARG A 67 -14.045 8.172 -0.253 1.00 2.77 H new ATOM 0 HG2 ARG A 67 -14.714 6.227 1.164 1.00 3.00 H new ATOM 0 HG3 ARG A 67 -16.154 7.098 1.654 1.00 3.00 H new ATOM 0 HD2 ARG A 67 -15.463 6.448 -1.234 1.00 3.22 H new ATOM 0 HD3 ARG A 67 -16.501 5.455 -0.230 1.00 3.22 H new ATOM 0 HE ARG A 67 -17.184 8.328 -0.704 1.00 3.39 H new ATOM 0 HH11 ARG A 67 -17.919 4.882 -0.997 1.00 4.45 H new ATOM 0 HH12 ARG A 67 -19.589 5.166 -1.498 1.00 4.45 H new ATOM 0 HH21 ARG A 67 -19.321 8.683 -1.341 1.00 4.37 H new ATOM 0 HH22 ARG A 67 -20.380 7.313 -1.692 1.00 4.37 H new ATOM 1069 N LYS A 68 -15.100 7.963 3.750 1.00 2.79 N ATOM 1070 CA LYS A 68 -15.974 8.044 4.911 1.00 3.26 C ATOM 1071 C LYS A 68 -15.156 8.162 6.190 1.00 3.31 C ATOM 1072 O LYS A 68 -15.141 7.261 7.033 1.00 3.49 O ATOM 1073 CB LYS A 68 -16.913 6.839 4.972 1.00 3.73 C ATOM 1074 CG LYS A 68 -17.842 6.749 3.774 1.00 4.12 C ATOM 1075 CD LYS A 68 -18.852 5.621 3.907 1.00 4.65 C ATOM 1076 CE LYS A 68 -18.179 4.260 3.989 1.00 5.37 C ATOM 1077 NZ LYS A 68 -19.169 3.152 3.882 1.00 5.92 N ATOM 0 H LYS A 68 -14.701 7.039 3.582 1.00 2.79 H new ATOM 0 HA LYS A 68 -16.586 8.941 4.815 1.00 3.26 H new ATOM 0 HB2 LYS A 68 -16.320 5.926 5.034 1.00 3.73 H new ATOM 0 HB3 LYS A 68 -17.509 6.895 5.883 1.00 3.73 H new ATOM 0 HG2 LYS A 68 -18.371 7.695 3.656 1.00 4.12 H new ATOM 0 HG3 LYS A 68 -17.251 6.599 2.870 1.00 4.12 H new ATOM 0 HD2 LYS A 68 -19.458 5.780 4.799 1.00 4.65 H new ATOM 0 HD3 LYS A 68 -19.530 5.639 3.054 1.00 4.65 H new ATOM 0 HE2 LYS A 68 -17.442 4.169 3.191 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -17.639 4.177 4.932 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -18.675 2.239 3.942 1.00 5.92 H new ATOM 0 HZ2 LYS A 68 -19.857 3.225 4.658 1.00 5.92 H new ATOM 0 HZ3 LYS A 68 -19.666 3.218 2.971 1.00 5.92 H new ATOM 1091 N GLY A 69 -14.451 9.276 6.299 1.00 3.64 N ATOM 1092 CA GLY A 69 -13.669 9.574 7.481 1.00 4.05 C ATOM 1093 C GLY A 69 -13.629 11.063 7.735 1.00 4.58 C ATOM 1094 O GLY A 69 -12.565 11.646 7.934 1.00 5.06 O ATOM 0 H GLY A 69 -14.406 9.993 5.575 1.00 3.64 H new ATOM 0 HA2 GLY A 69 -14.097 9.064 8.344 1.00 4.05 H new ATOM 0 HA3 GLY A 69 -12.655 9.194 7.357 1.00 4.05 H new ATOM 1098 N HIS A 70 -14.798 11.682 7.703 1.00 4.87 N ATOM 1099 CA HIS A 70 -14.905 13.125 7.866 1.00 5.68 C ATOM 1100 C HIS A 70 -15.680 13.468 9.132 1.00 6.44 C ATOM 1101 O HIS A 70 -16.905 13.367 9.172 1.00 6.88 O ATOM 1102 CB HIS A 70 -15.573 13.766 6.644 1.00 5.88 C ATOM 1103 CG HIS A 70 -14.721 13.765 5.410 1.00 5.93 C ATOM 1104 ND1 HIS A 70 -14.222 14.919 4.848 1.00 6.60 N ATOM 1105 CD2 HIS A 70 -14.281 12.751 4.628 1.00 5.65 C ATOM 1106 CE1 HIS A 70 -13.515 14.616 3.776 1.00 6.67 C ATOM 1107 NE2 HIS A 70 -13.534 13.305 3.619 1.00 6.10 N ATOM 0 H HIS A 70 -15.690 11.207 7.565 1.00 4.87 H new ATOM 0 HA HIS A 70 -13.896 13.528 7.956 1.00 5.68 H new ATOM 0 HB2 HIS A 70 -16.502 13.237 6.432 1.00 5.88 H new ATOM 0 HB3 HIS A 70 -15.840 14.794 6.887 1.00 5.88 H new ATOM 0 HD2 HIS A 70 -14.481 11.700 4.772 1.00 5.65 H new ATOM 0 HE1 HIS A 70 -13.007 15.321 3.135 1.00 6.67 H new ATOM 0 HE2 HIS A 70 -13.070 12.789 2.871 1.00 6.10 H new ATOM 1116 N SER A 71 -14.960 13.863 10.169 1.00 6.86 N ATOM 1117 CA SER A 71 -15.581 14.214 11.436 1.00 7.78 C ATOM 1118 C SER A 71 -15.905 15.703 11.467 1.00 8.28 C ATOM 1119 O SER A 71 -15.006 16.544 11.483 1.00 8.52 O ATOM 1120 CB SER A 71 -14.658 13.842 12.599 1.00 8.22 C ATOM 1121 OG SER A 71 -15.257 14.139 13.847 1.00 8.32 O ATOM 0 H SER A 71 -13.944 13.949 10.159 1.00 6.86 H new ATOM 0 HA SER A 71 -16.510 13.654 11.540 1.00 7.78 H new ATOM 0 HB2 SER A 71 -14.420 12.779 12.551 1.00 8.22 H new ATOM 0 HB3 SER A 71 -13.717 14.384 12.507 1.00 8.22 H new ATOM 0 HG SER A 71 -14.645 13.890 14.571 1.00 8.32 H new ATOM 1127 N GLU A 72 -17.192 16.023 11.433 1.00 8.69 N ATOM 1128 CA GLU A 72 -17.641 17.404 11.498 1.00 9.41 C ATOM 1129 C GLU A 72 -18.130 17.726 12.905 1.00 10.13 C ATOM 1130 O GLU A 72 -18.171 18.888 13.320 1.00 10.75 O ATOM 1131 CB GLU A 72 -18.762 17.639 10.482 1.00 9.75 C ATOM 1132 CG GLU A 72 -19.218 19.083 10.388 1.00 9.88 C ATOM 1133 CD GLU A 72 -20.363 19.269 9.420 1.00 10.01 C ATOM 1134 OE1 GLU A 72 -20.102 19.457 8.212 1.00 9.88 O ATOM 1135 OE2 GLU A 72 -21.527 19.222 9.856 1.00 10.45 O ATOM 0 H GLU A 72 -17.946 15.339 11.360 1.00 8.69 H new ATOM 0 HA GLU A 72 -16.805 18.061 11.257 1.00 9.41 H new ATOM 0 HB2 GLU A 72 -18.422 17.312 9.499 1.00 9.75 H new ATOM 0 HB3 GLU A 72 -19.616 17.016 10.748 1.00 9.75 H new ATOM 0 HG2 GLU A 72 -19.522 19.429 11.376 1.00 9.88 H new ATOM 0 HG3 GLU A 72 -18.379 19.705 10.077 1.00 9.88 H new ATOM 1142 N GLY A 73 -18.488 16.681 13.639 1.00 10.25 N ATOM 1143 CA GLY A 73 -19.004 16.853 14.981 1.00 11.09 C ATOM 1144 C GLY A 73 -20.513 16.949 14.990 1.00 11.37 C ATOM 1145 O GLY A 73 -21.190 16.216 14.267 1.00 11.62 O ATOM 0 H GLY A 73 -18.429 15.712 13.326 1.00 10.25 H new ATOM 0 HA2 GLY A 73 -18.689 16.015 15.603 1.00 11.09 H new ATOM 0 HA3 GLY A 73 -18.579 17.755 15.422 1.00 11.09 H new ATOM 1149 N GLY A 74 -21.041 17.852 15.801 1.00 11.55 N ATOM 1150 CA GLY A 74 -22.472 18.043 15.870 1.00 12.06 C ATOM 1151 C GLY A 74 -22.819 19.398 16.442 1.00 12.56 C ATOM 1152 O GLY A 74 -22.023 19.912 17.258 1.00 12.99 O ATOM 1153 OXT GLY A 74 -23.870 19.958 16.074 1.00 12.71 O ATOM 0 H GLY A 74 -20.499 18.459 16.416 1.00 11.55 H new ATOM 0 HA2 GLY A 74 -22.902 17.946 14.873 1.00 12.06 H new ATOM 0 HA3 GLY A 74 -22.916 17.261 16.486 1.00 12.06 H new TER 1157 GLY A 74