USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 0 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 44 TYR OH : rot 71:sc= 1.39 USER MOD Set 1.2: A 49 TYR OH : rot 100:sc= 0.0436 USER MOD Set 1.3: A 54 LYS NZ :NH3+ -176:sc= 0.179 (180deg=-0.112) USER MOD Set 2.1: A 41 MET CE :methyl -161:sc= -1.1 (180deg=-1.24) USER MOD Set 2.2: A 76 MET CE :methyl 151:sc= 0 (180deg=-1.02) USER MOD Set 3.1: A 9 SER OG : rot 159:sc= 1.04 USER MOD Set 3.2: A 10 CYS SG : rot 170:sc= -1.64 USER MOD Set 3.3: A 64 TYR OH : rot 149:sc= 1.8 USER MOD Set 4.1: A 7 TYR OH : rot 180:sc= -0.685 USER MOD Set 4.2: A 14 HIS : no HD1:sc= -1.03 X(o=-1.7,f=-1.9) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= -0.737 USER MOD Single : A 19 SER OG : rot 58:sc= 0.673 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 78:sc= 0.85 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.26) USER MOD Single : A 32 GLN : amide:sc= 0.305 K(o=0.31,f=-1.8!) USER MOD Single : A 38 TYR OH : rot 30:sc= 1.27 USER MOD Single : A 39 LYS NZ :NH3+ -137:sc= -0.0403 (180deg=-1.07) USER MOD Single : A 40 LYS NZ :NH3+ -131:sc= 0.262 (180deg=-0.0942) USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= 0.357 (180deg=0.352) USER MOD Single : A 48 SER OG : rot -39:sc= 0.95 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 172:sc= -1.1 (180deg=-1.4) USER MOD Single : A 58 THR OG1 : rot 77:sc= 0.953 USER MOD Single : A 59 ASN : amide:sc= -0.0473 X(o=-0.047,f=-0.019) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0.544 (180deg=0.544) USER MOD Single : A 63 LYS NZ :NH3+ 134:sc= 0.296 (180deg=-0.136) USER MOD Single : A 65 SER OG : rot 81:sc= 0.957 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot -24:sc= 1.23 USER MOD Single : A 77 SER OG : rot 46:sc= 1.06 USER MOD Single : A 78 LYS NZ :NH3+ -178:sc= 0.381 (180deg=0.379) USER MOD ----------------------------------------------------------------- ATOM 6 N ASP A 2 0.842 -13.637 -3.582 1.00 0.00 N ATOM 7 CA ASP A 2 2.200 -13.131 -3.718 1.00 0.00 C ATOM 8 C ASP A 2 2.230 -11.615 -3.524 1.00 0.00 C ATOM 9 O ASP A 2 2.168 -10.859 -4.492 1.00 0.00 O ATOM 10 CB ASP A 2 2.745 -13.528 -5.096 1.00 0.00 C ATOM 11 CG ASP A 2 2.786 -15.041 -5.267 1.00 0.00 C ATOM 12 OD1 ASP A 2 1.700 -15.604 -5.530 1.00 0.00 O ATOM 13 OD2 ASP A 2 3.889 -15.604 -5.107 1.00 0.00 O ATOM 0 HA ASP A 2 2.834 -13.569 -2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.121 -13.090 -5.875 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.747 -13.119 -5.223 1.00 0.00 H new ATOM 14 N GLY A 3 2.345 -11.166 -2.272 1.00 0.00 N ATOM 15 CA GLY A 3 2.400 -9.750 -1.925 1.00 0.00 C ATOM 16 C GLY A 3 3.386 -8.996 -2.818 1.00 0.00 C ATOM 17 O GLY A 3 3.033 -8.007 -3.455 1.00 0.00 O ATOM 0 H GLY A 3 2.403 -11.785 -1.464 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.407 -9.311 -2.024 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.695 -9.641 -0.881 1.00 0.00 H new ATOM 18 N ALA A 4 4.616 -9.500 -2.915 1.00 0.00 N ATOM 19 CA ALA A 4 5.652 -8.894 -3.744 1.00 0.00 C ATOM 20 C ALA A 4 5.221 -8.712 -5.202 1.00 0.00 C ATOM 21 O ALA A 4 5.700 -7.794 -5.865 1.00 0.00 O ATOM 22 CB ALA A 4 6.919 -9.751 -3.673 1.00 0.00 C ATOM 0 H ALA A 4 4.920 -10.339 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 4 5.844 -7.896 -3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.697 -9.302 -4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.263 -9.807 -2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.700 -10.755 -4.037 1.00 0.00 H new ATOM 23 N ALA A 5 4.333 -9.570 -5.714 1.00 0.00 N ATOM 24 CA ALA A 5 3.866 -9.465 -7.084 1.00 0.00 C ATOM 25 C ALA A 5 2.754 -8.424 -7.147 1.00 0.00 C ATOM 26 O ALA A 5 2.731 -7.588 -8.047 1.00 0.00 O ATOM 27 CB ALA A 5 3.367 -10.824 -7.581 1.00 0.00 C ATOM 0 H ALA A 5 3.927 -10.346 -5.191 1.00 0.00 H new ATOM 0 HA ALA A 5 4.687 -9.155 -7.731 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.020 -10.730 -8.610 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.180 -11.548 -7.537 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.545 -11.163 -6.950 1.00 0.00 H new ATOM 28 N LEU A 6 1.841 -8.446 -6.171 1.00 0.00 N ATOM 29 CA LEU A 6 0.726 -7.543 -6.119 1.00 0.00 C ATOM 30 C LEU A 6 1.235 -6.106 -5.993 1.00 0.00 C ATOM 31 O LEU A 6 0.648 -5.206 -6.594 1.00 0.00 O ATOM 32 CB LEU A 6 -0.143 -8.001 -4.942 1.00 0.00 C ATOM 33 CG LEU A 6 -0.773 -9.390 -5.160 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.299 -9.905 -3.818 1.00 0.00 C ATOM 35 CD2 LEU A 6 -1.911 -9.379 -6.186 1.00 0.00 C ATOM 0 H LEU A 6 1.871 -9.106 -5.394 1.00 0.00 H new ATOM 0 HA LEU A 6 0.121 -7.556 -7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.464 -8.022 -4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.936 -7.271 -4.778 1.00 0.00 H new ATOM 0 HG LEU A 6 0.002 -10.045 -5.559 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.748 -10.888 -3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.475 -9.979 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.049 -9.215 -3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.313 -10.386 -6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.700 -8.708 -5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.531 -9.035 -7.148 1.00 0.00 H new ATOM 36 N TYR A 7 2.320 -5.887 -5.232 1.00 0.00 N ATOM 37 CA TYR A 7 2.860 -4.547 -5.032 1.00 0.00 C ATOM 38 C TYR A 7 3.616 -3.957 -6.236 1.00 0.00 C ATOM 39 O TYR A 7 3.942 -2.769 -6.218 1.00 0.00 O ATOM 40 CB TYR A 7 3.774 -4.555 -3.794 1.00 0.00 C ATOM 41 CG TYR A 7 3.935 -3.201 -3.123 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.791 -2.479 -2.738 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.201 -2.750 -2.707 1.00 0.00 C ATOM 44 CE1 TYR A 7 2.911 -1.273 -2.034 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.314 -1.552 -1.978 1.00 0.00 C ATOM 46 CZ TYR A 7 4.181 -0.751 -1.759 1.00 0.00 C ATOM 47 OH TYR A 7 4.301 0.438 -1.110 1.00 0.00 O ATOM 0 H TYR A 7 2.834 -6.624 -4.749 1.00 0.00 H new ATOM 0 HA TYR A 7 1.998 -3.895 -4.893 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.374 -5.262 -3.067 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.758 -4.921 -4.087 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.811 -2.858 -2.987 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.085 -3.323 -2.947 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.027 -0.748 -1.705 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.273 -1.248 -1.586 1.00 0.00 H new ATOM 0 HH TYR A 7 5.250 0.655 -0.998 1.00 0.00 H new ATOM 48 N LYS A 8 3.909 -4.724 -7.292 1.00 0.00 N ATOM 49 CA LYS A 8 4.681 -4.186 -8.420 1.00 0.00 C ATOM 50 C LYS A 8 4.086 -2.899 -9.015 1.00 0.00 C ATOM 51 O LYS A 8 4.829 -2.002 -9.404 1.00 0.00 O ATOM 52 CB LYS A 8 4.855 -5.252 -9.508 1.00 0.00 C ATOM 53 CG LYS A 8 5.685 -6.461 -9.048 1.00 0.00 C ATOM 54 CD LYS A 8 7.073 -6.140 -8.473 1.00 0.00 C ATOM 55 CE LYS A 8 7.936 -5.307 -9.427 1.00 0.00 C ATOM 56 NZ LYS A 8 9.290 -5.108 -8.881 1.00 0.00 N ATOM 0 H LYS A 8 3.630 -5.700 -7.390 1.00 0.00 H new ATOM 0 HA LYS A 8 5.657 -3.912 -8.019 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.872 -5.596 -9.830 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.335 -4.800 -10.376 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.116 -7.002 -8.292 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.811 -7.135 -9.895 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.955 -5.601 -7.533 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.590 -7.072 -8.243 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.000 -5.806 -10.394 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.464 -4.340 -9.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.853 -4.541 -9.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.227 -4.611 -7.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.747 -6.032 -8.741 1.00 0.00 H new ATOM 57 N SER A 9 2.762 -2.758 -9.056 1.00 0.00 N ATOM 58 CA SER A 9 2.063 -1.581 -9.564 1.00 0.00 C ATOM 59 C SER A 9 2.113 -0.395 -8.587 1.00 0.00 C ATOM 60 O SER A 9 1.440 0.610 -8.808 1.00 0.00 O ATOM 61 CB SER A 9 0.605 -2.008 -9.773 1.00 0.00 C ATOM 62 OG SER A 9 0.283 -2.972 -8.784 1.00 0.00 O ATOM 0 H SER A 9 2.127 -3.484 -8.725 1.00 0.00 H new ATOM 0 HA SER A 9 2.540 -1.241 -10.483 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.059 -1.147 -9.696 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.470 -2.426 -10.771 1.00 0.00 H new ATOM 0 HG SER A 9 -0.690 -3.013 -8.672 1.00 0.00 H new ATOM 63 N CYS A 10 2.902 -0.499 -7.518 1.00 0.00 N ATOM 64 CA CYS A 10 3.017 0.465 -6.436 1.00 0.00 C ATOM 65 C CYS A 10 4.465 0.920 -6.336 1.00 0.00 C ATOM 66 O CYS A 10 4.755 2.087 -6.059 1.00 0.00 O ATOM 67 CB CYS A 10 2.558 -0.240 -5.159 1.00 0.00 C ATOM 68 SG CYS A 10 1.164 -1.407 -5.367 1.00 0.00 S ATOM 0 H CYS A 10 3.511 -1.306 -7.381 1.00 0.00 H new ATOM 0 HA CYS A 10 2.403 1.350 -6.604 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.405 -0.783 -4.739 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.271 0.517 -4.429 1.00 0.00 H new ATOM 0 HG CYS A 10 1.003 -2.090 -4.273 1.00 0.00 H new ATOM 69 N ILE A 11 5.372 -0.029 -6.596 1.00 0.00 N ATOM 70 CA ILE A 11 6.811 0.156 -6.653 1.00 0.00 C ATOM 71 C ILE A 11 7.146 1.413 -7.471 1.00 0.00 C ATOM 72 O ILE A 11 8.124 2.092 -7.179 1.00 0.00 O ATOM 73 CB ILE A 11 7.417 -1.120 -7.273 1.00 0.00 C ATOM 74 CG1 ILE A 11 7.337 -2.343 -6.337 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.863 -0.891 -7.696 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.983 -2.193 -4.959 1.00 0.00 C ATOM 0 H ILE A 11 5.099 -0.994 -6.781 1.00 0.00 H new ATOM 0 HA ILE A 11 7.233 0.308 -5.660 1.00 0.00 H new ATOM 0 HB ILE A 11 6.811 -1.342 -8.152 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.286 -2.595 -6.195 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.803 -3.189 -6.842 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.265 -1.807 -8.130 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.903 -0.091 -8.436 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.457 -0.611 -6.826 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.860 -3.119 -4.397 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.045 -1.978 -5.077 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.505 -1.375 -4.420 1.00 0.00 H new ATOM 77 N GLY A 12 6.349 1.743 -8.490 1.00 0.00 N ATOM 78 CA GLY A 12 6.565 2.936 -9.295 1.00 0.00 C ATOM 79 C GLY A 12 6.616 4.220 -8.452 1.00 0.00 C ATOM 80 O GLY A 12 7.417 5.106 -8.738 1.00 0.00 O ATOM 0 H GLY A 12 5.541 1.190 -8.775 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.499 2.832 -9.848 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.766 3.022 -10.032 1.00 0.00 H new ATOM 81 N CYS A 13 5.766 4.329 -7.421 1.00 0.00 N ATOM 82 CA CYS A 13 5.692 5.504 -6.547 1.00 0.00 C ATOM 83 C CYS A 13 6.551 5.301 -5.301 1.00 0.00 C ATOM 84 O CYS A 13 7.312 6.182 -4.911 1.00 0.00 O ATOM 85 CB CYS A 13 4.233 5.750 -6.126 1.00 0.00 C ATOM 86 SG CYS A 13 3.725 7.467 -5.807 1.00 0.00 S ATOM 0 H CYS A 13 5.104 3.595 -7.169 1.00 0.00 H new ATOM 0 HA CYS A 13 6.066 6.367 -7.097 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.586 5.348 -6.906 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.042 5.170 -5.223 1.00 0.00 H new ATOM 0 HG CYS A 13 2.470 7.492 -5.467 1.00 0.00 H new ATOM 87 N HIS A 14 6.425 4.123 -4.684 1.00 0.00 N ATOM 88 CA HIS A 14 7.107 3.770 -3.442 1.00 0.00 C ATOM 89 C HIS A 14 8.586 3.406 -3.612 1.00 0.00 C ATOM 90 O HIS A 14 9.366 3.515 -2.665 1.00 0.00 O ATOM 91 CB HIS A 14 6.322 2.618 -2.809 1.00 0.00 C ATOM 92 CG HIS A 14 4.971 3.068 -2.332 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.817 3.689 -1.106 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.711 3.027 -2.882 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.538 4.076 -1.018 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.790 3.605 -2.016 1.00 0.00 N ATOM 0 H HIS A 14 5.833 3.374 -5.044 1.00 0.00 H new ATOM 0 HA HIS A 14 7.124 4.649 -2.798 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.203 1.815 -3.536 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.887 2.209 -1.971 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.472 2.606 -3.848 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.154 4.701 -0.225 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.777 3.657 -2.120 1.00 0.00 H new ATOM 97 N GLY A 15 8.995 2.986 -4.806 1.00 0.00 N ATOM 98 CA GLY A 15 10.357 2.576 -5.096 1.00 0.00 C ATOM 99 C GLY A 15 10.528 1.081 -4.843 1.00 0.00 C ATOM 100 O GLY A 15 9.768 0.481 -4.084 1.00 0.00 O ATOM 0 H GLY A 15 8.373 2.922 -5.612 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.600 2.806 -6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.053 3.139 -4.474 1.00 0.00 H new ATOM 101 N ALA A 16 11.544 0.482 -5.476 1.00 0.00 N ATOM 102 CA ALA A 16 11.866 -0.940 -5.367 1.00 0.00 C ATOM 103 C ALA A 16 11.880 -1.406 -3.909 1.00 0.00 C ATOM 104 O ALA A 16 11.341 -2.458 -3.576 1.00 0.00 O ATOM 105 CB ALA A 16 13.230 -1.191 -6.016 1.00 0.00 C ATOM 0 H ALA A 16 12.179 0.989 -6.093 1.00 0.00 H new ATOM 0 HA ALA A 16 11.095 -1.512 -5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.480 -2.249 -5.940 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.192 -0.902 -7.066 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.990 -0.601 -5.504 1.00 0.00 H new ATOM 106 N ASP A 17 12.501 -0.598 -3.050 1.00 0.00 N ATOM 107 CA ASP A 17 12.686 -0.789 -1.637 1.00 0.00 C ATOM 108 C ASP A 17 11.696 0.001 -0.794 1.00 0.00 C ATOM 109 O ASP A 17 12.000 0.277 0.362 1.00 0.00 O ATOM 110 CB ASP A 17 14.127 -0.368 -1.293 1.00 0.00 C ATOM 111 CG ASP A 17 14.397 1.123 -1.540 1.00 0.00 C ATOM 112 OD1 ASP A 17 13.468 1.819 -2.017 1.00 0.00 O ATOM 113 OD2 ASP A 17 15.542 1.539 -1.270 1.00 0.00 O ATOM 0 H ASP A 17 12.918 0.278 -3.366 1.00 0.00 H new ATOM 0 HA ASP A 17 12.509 -1.839 -1.404 1.00 0.00 H new ATOM 0 HB2 ASP A 17 14.326 -0.598 -0.246 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.823 -0.960 -1.887 1.00 0.00 H new ATOM 114 N GLY A 18 10.566 0.429 -1.365 1.00 0.00 N ATOM 115 CA GLY A 18 9.533 1.185 -0.671 1.00 0.00 C ATOM 116 C GLY A 18 10.030 2.392 0.123 1.00 0.00 C ATOM 117 O GLY A 18 9.330 2.849 1.031 1.00 0.00 O ATOM 0 H GLY A 18 10.344 0.253 -2.345 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.803 1.529 -1.404 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.010 0.513 0.010 1.00 0.00 H new ATOM 118 N SER A 19 11.221 2.907 -0.200 1.00 0.00 N ATOM 119 CA SER A 19 11.828 4.008 0.527 1.00 0.00 C ATOM 120 C SER A 19 11.547 5.362 -0.121 1.00 0.00 C ATOM 121 O SER A 19 11.836 6.389 0.489 1.00 0.00 O ATOM 122 CB SER A 19 13.328 3.735 0.650 1.00 0.00 C ATOM 123 OG SER A 19 13.522 2.486 1.295 1.00 0.00 O ATOM 0 H SER A 19 11.787 2.565 -0.977 1.00 0.00 H new ATOM 0 HA SER A 19 11.383 4.067 1.520 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.790 3.724 -0.337 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.809 4.531 1.219 1.00 0.00 H new ATOM 0 HG SER A 19 13.067 1.782 0.788 1.00 0.00 H new ATOM 124 N LYS A 20 11.011 5.395 -1.345 1.00 0.00 N ATOM 125 CA LYS A 20 10.695 6.662 -1.980 1.00 0.00 C ATOM 126 C LYS A 20 9.398 7.165 -1.360 1.00 0.00 C ATOM 127 O LYS A 20 8.416 6.425 -1.264 1.00 0.00 O ATOM 128 CB LYS A 20 10.543 6.516 -3.497 1.00 0.00 C ATOM 129 CG LYS A 20 11.821 5.996 -4.163 1.00 0.00 C ATOM 130 CD LYS A 20 11.577 5.854 -5.670 1.00 0.00 C ATOM 131 CE LYS A 20 12.774 5.188 -6.355 1.00 0.00 C ATOM 132 NZ LYS A 20 12.509 4.963 -7.787 1.00 0.00 N ATOM 0 H LYS A 20 10.793 4.569 -1.902 1.00 0.00 H new ATOM 0 HA LYS A 20 11.508 7.369 -1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.720 5.835 -3.713 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.279 7.482 -3.928 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.648 6.682 -3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.104 5.034 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.678 5.263 -5.843 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.402 6.836 -6.109 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.658 5.815 -6.240 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.992 4.237 -5.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.336 4.511 -8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.679 4.345 -7.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.324 5.874 -8.253 1.00 0.00 H new ATOM 133 N ALA A 21 9.395 8.420 -0.916 1.00 0.00 N ATOM 134 CA ALA A 21 8.213 9.016 -0.330 1.00 0.00 C ATOM 135 C ALA A 21 7.211 9.262 -1.458 1.00 0.00 C ATOM 136 O ALA A 21 7.190 10.328 -2.064 1.00 0.00 O ATOM 137 CB ALA A 21 8.597 10.289 0.430 1.00 0.00 C ATOM 0 H ALA A 21 10.204 9.040 -0.954 1.00 0.00 H new ATOM 0 HA ALA A 21 7.746 8.358 0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.704 10.734 0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.305 10.041 1.221 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.055 10.999 -0.258 1.00 0.00 H new ATOM 138 N ALA A 22 6.413 8.232 -1.749 1.00 0.00 N ATOM 139 CA ALA A 22 5.382 8.170 -2.775 1.00 0.00 C ATOM 140 C ALA A 22 4.717 9.523 -3.045 1.00 0.00 C ATOM 141 O ALA A 22 4.052 10.062 -2.162 1.00 0.00 O ATOM 142 CB ALA A 22 4.382 7.093 -2.352 1.00 0.00 C ATOM 0 H ALA A 22 6.480 7.356 -1.231 1.00 0.00 H new ATOM 0 HA ALA A 22 5.833 7.907 -3.732 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.592 7.017 -3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.894 6.135 -2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.947 7.359 -1.389 1.00 0.00 H new ATOM 143 N MET A 23 4.951 10.043 -4.262 1.00 0.00 N ATOM 144 CA MET A 23 4.445 11.263 -4.889 1.00 0.00 C ATOM 145 C MET A 23 4.151 12.410 -3.920 1.00 0.00 C ATOM 146 O MET A 23 4.930 13.356 -3.836 1.00 0.00 O ATOM 147 CB MET A 23 3.226 10.844 -5.724 1.00 0.00 C ATOM 148 CG MET A 23 2.296 11.952 -6.227 1.00 0.00 C ATOM 149 SD MET A 23 3.088 13.454 -6.860 1.00 0.00 S ATOM 150 CE MET A 23 1.624 14.466 -7.166 1.00 0.00 C ATOM 0 H MET A 23 5.576 9.553 -4.902 1.00 0.00 H new ATOM 0 HA MET A 23 5.222 11.697 -5.518 1.00 0.00 H new ATOM 0 HB2 MET A 23 3.587 10.289 -6.590 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.632 10.152 -5.127 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.670 11.538 -7.018 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.632 12.236 -5.411 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.928 15.435 -7.562 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.980 13.965 -7.888 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.080 14.610 -6.233 1.00 0.00 H new ATOM 151 N GLY A 24 3.010 12.354 -3.227 1.00 0.00 N ATOM 152 CA GLY A 24 2.611 13.374 -2.270 1.00 0.00 C ATOM 153 C GLY A 24 3.726 13.638 -1.261 1.00 0.00 C ATOM 154 O GLY A 24 3.913 14.773 -0.825 1.00 0.00 O ATOM 0 H GLY A 24 2.338 11.593 -3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.365 14.296 -2.796 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.709 13.055 -1.747 1.00 0.00 H new ATOM 155 N SER A 25 4.440 12.569 -0.903 1.00 0.00 N ATOM 156 CA SER A 25 5.560 12.435 0.015 1.00 0.00 C ATOM 157 C SER A 25 5.125 11.444 1.086 1.00 0.00 C ATOM 158 O SER A 25 4.965 11.835 2.242 1.00 0.00 O ATOM 159 CB SER A 25 6.039 13.753 0.650 1.00 0.00 C ATOM 160 OG SER A 25 6.522 14.643 -0.335 1.00 0.00 O ATOM 0 H SER A 25 4.211 11.661 -1.307 1.00 0.00 H new ATOM 0 HA SER A 25 6.426 12.089 -0.549 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.217 14.218 1.194 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.826 13.546 1.376 1.00 0.00 H new ATOM 0 HG SER A 25 5.766 15.070 -0.789 1.00 0.00 H new ATOM 161 N ALA A 26 4.870 10.180 0.719 1.00 0.00 N ATOM 162 CA ALA A 26 4.472 9.217 1.724 1.00 0.00 C ATOM 163 C ALA A 26 5.561 8.951 2.749 1.00 0.00 C ATOM 164 O ALA A 26 6.748 9.015 2.447 1.00 0.00 O ATOM 165 CB ALA A 26 4.157 7.887 1.042 1.00 0.00 C ATOM 0 H ALA A 26 4.932 9.821 -0.234 1.00 0.00 H new ATOM 0 HA ALA A 26 3.607 9.636 2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.856 7.156 1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.346 8.028 0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.043 7.527 0.519 1.00 0.00 H new ATOM 166 N LYS A 27 5.148 8.626 3.971 1.00 0.00 N ATOM 167 CA LYS A 27 6.083 8.207 4.994 1.00 0.00 C ATOM 168 C LYS A 27 6.589 6.873 4.430 1.00 0.00 C ATOM 169 O LYS A 27 5.737 6.024 4.159 1.00 0.00 O ATOM 170 CB LYS A 27 5.390 7.999 6.351 1.00 0.00 C ATOM 171 CG LYS A 27 4.551 9.186 6.860 1.00 0.00 C ATOM 172 CD LYS A 27 3.152 9.367 6.237 1.00 0.00 C ATOM 173 CE LYS A 27 2.361 8.056 6.119 1.00 0.00 C ATOM 174 NZ LYS A 27 0.969 8.301 5.705 1.00 0.00 N ATOM 0 H LYS A 27 4.173 8.647 4.270 1.00 0.00 H new ATOM 0 HA LYS A 27 6.867 8.939 5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.743 7.125 6.278 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.152 7.770 7.096 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.431 9.080 7.938 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.119 10.101 6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.582 10.073 6.841 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.258 9.809 5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.847 7.401 5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.371 7.536 7.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.463 7.395 5.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.499 8.907 6.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.960 8.775 4.779 1.00 0.00 H new ATOM 175 N PRO A 28 7.898 6.692 4.177 1.00 0.00 N ATOM 176 CA PRO A 28 8.466 5.482 3.595 1.00 0.00 C ATOM 177 C PRO A 28 7.694 4.211 3.950 1.00 0.00 C ATOM 178 O PRO A 28 7.652 3.831 5.118 1.00 0.00 O ATOM 179 CB PRO A 28 9.906 5.452 4.109 1.00 0.00 C ATOM 180 CG PRO A 28 10.268 6.937 4.087 1.00 0.00 C ATOM 181 CD PRO A 28 8.968 7.613 4.532 1.00 0.00 C ATOM 0 HA PRO A 28 8.413 5.506 2.507 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.975 5.028 5.111 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.559 4.861 3.467 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.092 7.162 4.764 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.573 7.264 3.093 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.976 7.808 5.604 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.837 8.574 4.035 1.00 0.00 H new ATOM 182 N VAL A 29 7.051 3.571 2.960 1.00 0.00 N ATOM 183 CA VAL A 29 6.305 2.343 3.217 1.00 0.00 C ATOM 184 C VAL A 29 7.301 1.295 3.754 1.00 0.00 C ATOM 185 O VAL A 29 6.907 0.379 4.470 1.00 0.00 O ATOM 186 CB VAL A 29 5.512 1.884 1.974 1.00 0.00 C ATOM 187 CG1 VAL A 29 5.066 0.424 2.093 1.00 0.00 C ATOM 188 CG2 VAL A 29 4.208 2.687 1.854 1.00 0.00 C ATOM 0 H VAL A 29 7.036 3.883 1.989 1.00 0.00 H new ATOM 0 HA VAL A 29 5.537 2.505 3.973 1.00 0.00 H new ATOM 0 HB VAL A 29 6.176 2.025 1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.511 0.139 1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.942 -0.217 2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.427 0.309 2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.656 2.356 0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.600 2.529 2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.441 3.747 1.758 1.00 0.00 H new ATOM 189 N LYS A 30 8.591 1.414 3.406 1.00 0.00 N ATOM 190 CA LYS A 30 9.674 0.563 3.882 1.00 0.00 C ATOM 191 C LYS A 30 9.717 0.444 5.395 1.00 0.00 C ATOM 192 O LYS A 30 10.324 1.242 6.106 1.00 0.00 O ATOM 193 CB LYS A 30 10.997 1.094 3.355 1.00 0.00 C ATOM 194 CG LYS A 30 12.267 0.347 3.807 1.00 0.00 C ATOM 195 CD LYS A 30 12.166 -1.155 3.522 1.00 0.00 C ATOM 196 CE LYS A 30 13.453 -1.928 3.818 1.00 0.00 C ATOM 197 NZ LYS A 30 13.259 -3.376 3.592 1.00 0.00 N ATOM 0 H LYS A 30 8.913 2.135 2.761 1.00 0.00 H new ATOM 0 HA LYS A 30 9.491 -0.442 3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.961 1.078 2.266 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.090 2.138 3.656 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.135 0.759 3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.424 0.506 4.874 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.356 -1.575 4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.899 -1.299 2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.258 -1.561 3.181 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.758 -1.754 4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.153 -3.877 3.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.530 -3.734 4.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.957 -3.537 2.610 1.00 0.00 H new ATOM 198 N GLY A 31 9.080 -0.623 5.845 1.00 0.00 N ATOM 199 CA GLY A 31 9.029 -1.019 7.238 1.00 0.00 C ATOM 200 C GLY A 31 7.759 -0.570 7.938 1.00 0.00 C ATOM 201 O GLY A 31 7.706 -0.604 9.167 1.00 0.00 O ATOM 0 H GLY A 31 8.569 -1.256 5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.109 -2.104 7.304 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.891 -0.603 7.760 1.00 0.00 H new ATOM 202 N GLN A 32 6.738 -0.128 7.193 1.00 0.00 N ATOM 203 CA GLN A 32 5.496 0.257 7.825 1.00 0.00 C ATOM 204 C GLN A 32 4.909 -1.039 8.439 1.00 0.00 C ATOM 205 O GLN A 32 5.175 -2.141 7.954 1.00 0.00 O ATOM 206 CB GLN A 32 4.547 0.961 6.834 1.00 0.00 C ATOM 207 CG GLN A 32 4.720 2.494 6.640 1.00 0.00 C ATOM 208 CD GLN A 32 3.616 3.088 5.734 1.00 0.00 C ATOM 209 OE1 GLN A 32 2.527 2.528 5.700 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.824 4.179 4.975 1.00 0.00 N ATOM 0 H GLN A 32 6.756 -0.034 6.178 1.00 0.00 H new ATOM 0 HA GLN A 32 5.651 0.998 8.609 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.663 0.484 5.861 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.523 0.777 7.160 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.697 2.988 7.611 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.697 2.697 6.202 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.728 4.651 4.998 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.078 4.534 4.377 1.00 0.00 H new ATOM 211 N GLY A 33 4.127 -0.957 9.517 1.00 0.00 N ATOM 212 CA GLY A 33 3.618 -2.165 10.170 1.00 0.00 C ATOM 213 C GLY A 33 2.572 -2.907 9.334 1.00 0.00 C ATOM 214 O GLY A 33 1.637 -2.280 8.865 1.00 0.00 O ATOM 0 H GLY A 33 3.836 -0.081 9.951 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.451 -2.837 10.377 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.180 -1.894 11.131 1.00 0.00 H new ATOM 215 N ALA A 34 2.672 -4.231 9.166 1.00 0.00 N ATOM 216 CA ALA A 34 1.722 -5.044 8.406 1.00 0.00 C ATOM 217 C ALA A 34 0.281 -4.731 8.808 1.00 0.00 C ATOM 218 O ALA A 34 -0.574 -4.512 7.956 1.00 0.00 O ATOM 219 CB ALA A 34 2.017 -6.531 8.634 1.00 0.00 C ATOM 0 H ALA A 34 3.435 -4.777 9.565 1.00 0.00 H new ATOM 0 HA ALA A 34 1.837 -4.806 7.349 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.308 -7.134 8.067 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.031 -6.756 8.303 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.922 -6.762 9.695 1.00 0.00 H new ATOM 220 N GLU A 35 0.018 -4.694 10.115 1.00 0.00 N ATOM 221 CA GLU A 35 -1.310 -4.393 10.634 1.00 0.00 C ATOM 222 C GLU A 35 -1.746 -2.996 10.166 1.00 0.00 C ATOM 223 O GLU A 35 -2.892 -2.794 9.766 1.00 0.00 O ATOM 224 CB GLU A 35 -1.279 -4.509 12.166 1.00 0.00 C ATOM 225 CG GLU A 35 -2.667 -4.370 12.807 1.00 0.00 C ATOM 226 CD GLU A 35 -3.645 -5.438 12.324 1.00 0.00 C ATOM 227 OE1 GLU A 35 -3.353 -6.627 12.577 1.00 0.00 O ATOM 228 OE2 GLU A 35 -4.658 -5.048 11.705 1.00 0.00 O ATOM 0 H GLU A 35 0.717 -4.871 10.837 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.044 -5.103 10.253 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.852 -5.473 12.443 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.620 -3.740 12.570 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.571 -4.434 13.891 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.071 -3.383 12.580 1.00 0.00 H new ATOM 229 N GLU A 36 -0.814 -2.039 10.215 1.00 0.00 N ATOM 230 CA GLU A 36 -1.029 -0.664 9.796 1.00 0.00 C ATOM 231 C GLU A 36 -1.409 -0.683 8.315 1.00 0.00 C ATOM 232 O GLU A 36 -2.515 -0.304 7.947 1.00 0.00 O ATOM 233 CB GLU A 36 0.263 0.141 10.048 1.00 0.00 C ATOM 234 CG GLU A 36 0.057 1.659 10.057 1.00 0.00 C ATOM 235 CD GLU A 36 1.385 2.421 10.038 1.00 0.00 C ATOM 236 OE1 GLU A 36 2.445 1.758 10.134 1.00 0.00 O ATOM 237 OE2 GLU A 36 1.313 3.663 9.919 1.00 0.00 O ATOM 0 H GLU A 36 0.132 -2.211 10.557 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.832 -0.188 10.359 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.689 -0.164 11.004 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.993 -0.112 9.279 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.539 1.949 9.191 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.510 1.942 10.944 1.00 0.00 H new ATOM 238 N LEU A 37 -0.487 -1.168 7.484 1.00 0.00 N ATOM 239 CA LEU A 37 -0.605 -1.302 6.045 1.00 0.00 C ATOM 240 C LEU A 37 -1.949 -1.934 5.687 1.00 0.00 C ATOM 241 O LEU A 37 -2.649 -1.455 4.800 1.00 0.00 O ATOM 242 CB LEU A 37 0.564 -2.168 5.544 1.00 0.00 C ATOM 243 CG LEU A 37 1.942 -1.494 5.662 1.00 0.00 C ATOM 244 CD1 LEU A 37 3.065 -2.532 5.601 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.145 -0.522 4.507 1.00 0.00 C ATOM 0 H LEU A 37 0.416 -1.496 7.826 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.562 -0.324 5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.578 -3.101 6.108 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.387 -2.429 4.501 1.00 0.00 H new ATOM 0 HG LEU A 37 1.973 -0.971 6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.029 -2.031 5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.951 -3.241 6.421 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.016 -3.065 4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.123 -0.049 4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.090 -1.063 3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.368 0.242 4.534 1.00 0.00 H new ATOM 246 N TYR A 38 -2.323 -3.007 6.382 1.00 0.00 N ATOM 247 CA TYR A 38 -3.571 -3.704 6.143 1.00 0.00 C ATOM 248 C TYR A 38 -4.779 -2.831 6.452 1.00 0.00 C ATOM 249 O TYR A 38 -5.651 -2.690 5.601 1.00 0.00 O ATOM 250 CB TYR A 38 -3.613 -4.971 6.985 1.00 0.00 C ATOM 251 CG TYR A 38 -4.923 -5.725 6.854 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.295 -6.285 5.616 1.00 0.00 C ATOM 253 CD2 TYR A 38 -5.873 -5.623 7.886 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.605 -6.762 5.422 1.00 0.00 C ATOM 255 CE2 TYR A 38 -7.186 -6.074 7.682 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.553 -6.645 6.455 1.00 0.00 C ATOM 257 OH TYR A 38 -8.841 -7.047 6.278 1.00 0.00 O ATOM 0 H TYR A 38 -1.761 -3.414 7.129 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.617 -3.959 5.084 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.792 -5.625 6.689 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.452 -4.711 8.031 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.574 -6.348 4.814 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.591 -5.197 8.837 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.882 -7.217 4.482 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.916 -5.981 8.472 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.868 -7.786 5.635 1.00 0.00 H new ATOM 258 N LYS A 39 -4.877 -2.267 7.659 1.00 0.00 N ATOM 259 CA LYS A 39 -5.970 -1.432 8.047 1.00 0.00 C ATOM 260 C LYS A 39 -6.091 -0.246 7.089 1.00 0.00 C ATOM 261 O LYS A 39 -7.187 0.130 6.671 1.00 0.00 O ATOM 262 CB LYS A 39 -5.621 -1.003 9.467 1.00 0.00 C ATOM 263 CG LYS A 39 -5.996 -2.072 10.498 1.00 0.00 C ATOM 264 CD LYS A 39 -5.520 -1.733 11.918 1.00 0.00 C ATOM 265 CE LYS A 39 -6.194 -0.496 12.528 1.00 0.00 C ATOM 266 NZ LYS A 39 -5.510 0.757 12.158 1.00 0.00 N ATOM 0 H LYS A 39 -4.178 -2.392 8.391 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.938 -1.932 8.011 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.553 -0.797 9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.140 -0.074 9.703 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.079 -2.198 10.505 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.566 -3.027 10.195 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.705 -2.590 12.566 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.442 -1.574 11.900 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.232 -0.451 12.198 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.209 -0.592 13.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.436 1.372 12.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.557 0.540 11.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.054 1.244 11.417 1.00 0.00 H new ATOM 267 N LYS A 40 -4.945 0.326 6.720 1.00 0.00 N ATOM 268 CA LYS A 40 -4.863 1.448 5.824 1.00 0.00 C ATOM 269 C LYS A 40 -5.429 1.029 4.464 1.00 0.00 C ATOM 270 O LYS A 40 -6.303 1.697 3.910 1.00 0.00 O ATOM 271 CB LYS A 40 -3.391 1.843 5.757 1.00 0.00 C ATOM 272 CG LYS A 40 -2.841 2.469 7.052 1.00 0.00 C ATOM 273 CD LYS A 40 -3.068 3.983 7.130 1.00 0.00 C ATOM 274 CE LYS A 40 -2.194 4.652 8.198 1.00 0.00 C ATOM 275 NZ LYS A 40 -0.773 4.696 7.801 1.00 0.00 N ATOM 0 H LYS A 40 -4.035 0.005 7.051 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.445 2.307 6.158 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.801 0.959 5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.254 2.550 4.939 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.315 1.992 7.909 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.773 2.263 7.123 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.856 4.430 6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.118 4.179 7.348 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.552 5.666 8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.291 4.109 9.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.183 4.344 8.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.628 4.099 6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.505 5.676 7.579 1.00 0.00 H new ATOM 276 N MET A 41 -4.960 -0.103 3.930 1.00 0.00 N ATOM 277 CA MET A 41 -5.458 -0.597 2.664 1.00 0.00 C ATOM 278 C MET A 41 -6.933 -0.927 2.762 1.00 0.00 C ATOM 279 O MET A 41 -7.632 -0.693 1.791 1.00 0.00 O ATOM 280 CB MET A 41 -4.686 -1.822 2.195 1.00 0.00 C ATOM 281 CG MET A 41 -3.384 -1.358 1.554 1.00 0.00 C ATOM 282 SD MET A 41 -2.444 -2.638 0.701 1.00 0.00 S ATOM 283 CE MET A 41 -1.808 -3.490 2.145 1.00 0.00 C ATOM 0 H MET A 41 -4.240 -0.684 4.360 1.00 0.00 H new ATOM 0 HA MET A 41 -5.315 0.196 1.930 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.479 -2.484 3.036 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.278 -2.392 1.479 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.611 -0.563 0.843 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.753 -0.922 2.328 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.947 -4.095 1.861 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.506 -2.759 2.895 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.584 -4.134 2.558 1.00 0.00 H new ATOM 284 N LYS A 42 -7.431 -1.474 3.874 1.00 0.00 N ATOM 285 CA LYS A 42 -8.857 -1.750 3.972 1.00 0.00 C ATOM 286 C LYS A 42 -9.594 -0.413 3.840 1.00 0.00 C ATOM 287 O LYS A 42 -10.599 -0.319 3.135 1.00 0.00 O ATOM 288 CB LYS A 42 -9.193 -2.491 5.273 1.00 0.00 C ATOM 289 CG LYS A 42 -10.687 -2.846 5.382 1.00 0.00 C ATOM 290 CD LYS A 42 -11.209 -3.617 4.157 1.00 0.00 C ATOM 291 CE LYS A 42 -12.663 -4.058 4.345 1.00 0.00 C ATOM 292 NZ LYS A 42 -13.172 -4.727 3.133 1.00 0.00 N ATOM 0 H LYS A 42 -6.882 -1.727 4.695 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.179 -2.417 3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.601 -3.404 5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.907 -1.872 6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.849 -3.445 6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.265 -1.930 5.502 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.131 -2.988 3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.583 -4.492 3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.734 -4.735 5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.283 -3.191 4.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.174 -4.971 3.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.077 -4.088 2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.625 -5.594 2.959 1.00 0.00 H new ATOM 293 N GLY A 43 -9.069 0.632 4.490 1.00 0.00 N ATOM 294 CA GLY A 43 -9.612 1.974 4.406 1.00 0.00 C ATOM 295 C GLY A 43 -9.687 2.430 2.944 1.00 0.00 C ATOM 296 O GLY A 43 -10.732 2.902 2.494 1.00 0.00 O ATOM 0 H GLY A 43 -8.249 0.559 5.092 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.606 2.000 4.853 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.988 2.662 4.977 1.00 0.00 H new ATOM 297 N TYR A 44 -8.577 2.310 2.208 1.00 0.00 N ATOM 298 CA TYR A 44 -8.510 2.690 0.797 1.00 0.00 C ATOM 299 C TYR A 44 -9.356 1.759 -0.082 1.00 0.00 C ATOM 300 O TYR A 44 -9.875 2.173 -1.112 1.00 0.00 O ATOM 301 CB TYR A 44 -7.044 2.647 0.329 1.00 0.00 C ATOM 302 CG TYR A 44 -6.125 3.725 0.877 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.578 5.042 1.055 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.770 3.439 1.131 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.815 5.929 1.821 1.00 0.00 C ATOM 306 CE2 TYR A 44 -3.930 4.416 1.690 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.470 5.641 2.097 1.00 0.00 C ATOM 308 OH TYR A 44 -3.704 6.533 2.782 1.00 0.00 O ATOM 0 H TYR A 44 -7.699 1.945 2.577 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.911 3.699 0.698 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.629 1.676 0.598 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.031 2.709 -0.759 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.505 5.366 0.606 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.374 2.462 0.895 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.261 6.836 2.200 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.874 4.223 1.805 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.988 6.556 3.720 1.00 0.00 H new ATOM 309 N ALA A 45 -9.481 0.493 0.306 1.00 0.00 N ATOM 310 CA ALA A 45 -10.207 -0.518 -0.437 1.00 0.00 C ATOM 311 C ALA A 45 -11.712 -0.259 -0.364 1.00 0.00 C ATOM 312 O ALA A 45 -12.353 -0.065 -1.392 1.00 0.00 O ATOM 313 CB ALA A 45 -9.900 -1.909 0.120 1.00 0.00 C ATOM 0 H ALA A 45 -9.068 0.139 1.168 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.888 -0.470 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.452 -2.658 -0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.831 -2.106 0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.198 -1.955 1.168 1.00 0.00 H new ATOM 314 N ASP A 46 -12.278 -0.254 0.852 1.00 0.00 N ATOM 315 CA ASP A 46 -13.716 -0.105 1.058 1.00 0.00 C ATOM 316 C ASP A 46 -14.061 0.686 2.327 1.00 0.00 C ATOM 317 O ASP A 46 -15.114 0.438 2.909 1.00 0.00 O ATOM 318 CB ASP A 46 -14.340 -1.508 1.185 1.00 0.00 C ATOM 319 CG ASP A 46 -13.951 -2.482 0.079 1.00 0.00 C ATOM 320 OD1 ASP A 46 -14.514 -2.350 -1.030 1.00 0.00 O ATOM 321 OD2 ASP A 46 -13.102 -3.353 0.377 1.00 0.00 O ATOM 0 H ASP A 46 -11.747 -0.354 1.717 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.110 0.447 0.205 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -14.049 -1.935 2.145 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -15.425 -1.408 1.197 1.00 0.00 H new ATOM 322 N GLY A 47 -13.221 1.627 2.776 1.00 0.00 N ATOM 323 CA GLY A 47 -13.502 2.398 3.990 1.00 0.00 C ATOM 324 C GLY A 47 -13.323 3.902 3.798 1.00 0.00 C ATOM 325 O GLY A 47 -13.197 4.629 4.778 1.00 0.00 O ATOM 0 H GLY A 47 -12.344 1.871 2.317 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.524 2.198 4.312 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.843 2.059 4.790 1.00 0.00 H new ATOM 326 N SER A 48 -13.333 4.361 2.541 1.00 0.00 N ATOM 327 CA SER A 48 -13.201 5.737 2.091 1.00 0.00 C ATOM 328 C SER A 48 -12.193 6.536 2.931 1.00 0.00 C ATOM 329 O SER A 48 -12.408 7.709 3.239 1.00 0.00 O ATOM 330 CB SER A 48 -14.623 6.301 2.069 1.00 0.00 C ATOM 331 OG SER A 48 -14.675 7.696 1.849 1.00 0.00 O ATOM 0 H SER A 48 -13.443 3.721 1.754 1.00 0.00 H new ATOM 0 HA SER A 48 -12.769 5.806 1.093 1.00 0.00 H new ATOM 0 HB2 SER A 48 -15.193 5.797 1.288 1.00 0.00 H new ATOM 0 HB3 SER A 48 -15.110 6.073 3.017 1.00 0.00 H new ATOM 0 HG SER A 48 -13.944 8.131 2.336 1.00 0.00 H new ATOM 332 N TYR A 49 -11.080 5.895 3.286 1.00 0.00 N ATOM 333 CA TYR A 49 -10.007 6.537 4.036 1.00 0.00 C ATOM 334 C TYR A 49 -9.195 7.346 3.031 1.00 0.00 C ATOM 335 O TYR A 49 -8.876 6.812 1.974 1.00 0.00 O ATOM 336 CB TYR A 49 -9.121 5.460 4.685 1.00 0.00 C ATOM 337 CG TYR A 49 -7.715 5.860 5.117 1.00 0.00 C ATOM 338 CD1 TYR A 49 -7.454 7.090 5.753 1.00 0.00 C ATOM 339 CD2 TYR A 49 -6.640 5.008 4.802 1.00 0.00 C ATOM 340 CE1 TYR A 49 -6.124 7.499 5.974 1.00 0.00 C ATOM 341 CE2 TYR A 49 -5.317 5.399 5.063 1.00 0.00 C ATOM 342 CZ TYR A 49 -5.055 6.662 5.617 1.00 0.00 C ATOM 343 OH TYR A 49 -3.774 7.092 5.804 1.00 0.00 O ATOM 0 H TYR A 49 -10.899 4.917 3.061 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.399 7.178 4.826 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.645 5.079 5.562 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.032 4.632 3.982 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.273 7.719 6.071 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.835 4.044 4.355 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.926 8.462 6.421 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.501 4.728 4.838 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.414 6.699 6.626 1.00 0.00 H new ATOM 372 N LYS A 54 -4.222 10.323 -1.257 1.00 0.00 N ATOM 373 CA LYS A 54 -4.738 8.984 -1.240 1.00 0.00 C ATOM 374 C LYS A 54 -5.753 8.696 -2.354 1.00 0.00 C ATOM 375 O LYS A 54 -6.236 7.571 -2.465 1.00 0.00 O ATOM 376 CB LYS A 54 -5.420 8.781 0.097 1.00 0.00 C ATOM 377 CG LYS A 54 -4.483 8.912 1.307 1.00 0.00 C ATOM 378 CD LYS A 54 -4.094 10.319 1.773 1.00 0.00 C ATOM 379 CE LYS A 54 -4.053 10.387 3.307 1.00 0.00 C ATOM 380 NZ LYS A 54 -3.160 9.361 3.878 1.00 0.00 N ATOM 0 HA LYS A 54 -3.901 8.304 -1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.226 9.508 0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.879 7.792 0.112 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.952 8.401 2.148 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.565 8.372 1.077 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.119 10.587 1.365 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.810 11.046 1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.716 11.376 3.618 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.060 10.254 3.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.211 9.395 4.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.456 8.420 3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.182 9.543 3.574 1.00 0.00 H new ATOM 381 N ALA A 55 -6.137 9.688 -3.155 1.00 0.00 N ATOM 382 CA ALA A 55 -7.096 9.470 -4.236 1.00 0.00 C ATOM 383 C ALA A 55 -6.580 8.359 -5.156 1.00 0.00 C ATOM 384 O ALA A 55 -7.276 7.379 -5.428 1.00 0.00 O ATOM 385 CB ALA A 55 -7.320 10.773 -5.007 1.00 0.00 C ATOM 0 H ALA A 55 -5.800 10.648 -3.076 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.055 9.158 -3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.036 10.602 -5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.709 11.534 -4.330 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.374 11.113 -5.430 1.00 0.00 H new ATOM 386 N MET A 56 -5.326 8.511 -5.594 1.00 0.00 N ATOM 387 CA MET A 56 -4.655 7.544 -6.447 1.00 0.00 C ATOM 388 C MET A 56 -4.650 6.187 -5.742 1.00 0.00 C ATOM 389 O MET A 56 -5.046 5.178 -6.318 1.00 0.00 O ATOM 390 CB MET A 56 -3.221 8.012 -6.740 1.00 0.00 C ATOM 391 CG MET A 56 -3.167 9.354 -7.484 1.00 0.00 C ATOM 392 SD MET A 56 -4.007 9.392 -9.089 1.00 0.00 S ATOM 393 CE MET A 56 -3.685 11.105 -9.562 1.00 0.00 C ATOM 0 H MET A 56 -4.749 9.319 -5.360 1.00 0.00 H new ATOM 0 HA MET A 56 -5.181 7.453 -7.397 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.675 8.102 -5.801 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.711 7.253 -7.334 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.606 10.121 -6.846 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.122 9.624 -7.634 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.135 11.305 -10.535 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.116 11.775 -8.818 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.609 11.271 -9.619 1.00 0.00 H new ATOM 394 N MET A 57 -4.223 6.185 -4.477 1.00 0.00 N ATOM 395 CA MET A 57 -4.154 5.002 -3.635 1.00 0.00 C ATOM 396 C MET A 57 -5.465 4.229 -3.640 1.00 0.00 C ATOM 397 O MET A 57 -5.479 3.030 -3.904 1.00 0.00 O ATOM 398 CB MET A 57 -3.819 5.428 -2.199 1.00 0.00 C ATOM 399 CG MET A 57 -2.317 5.440 -1.942 1.00 0.00 C ATOM 400 SD MET A 57 -1.526 3.850 -2.239 1.00 0.00 S ATOM 401 CE MET A 57 -2.550 2.692 -1.296 1.00 0.00 C ATOM 0 H MET A 57 -3.909 7.032 -4.003 1.00 0.00 H new ATOM 0 HA MET A 57 -3.378 4.347 -4.032 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.227 6.421 -2.011 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.301 4.748 -1.497 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.853 6.193 -2.580 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.135 5.740 -0.910 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.243 1.670 -1.519 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.428 2.883 -0.230 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.596 2.825 -1.571 1.00 0.00 H new ATOM 402 N THR A 58 -6.564 4.913 -3.334 1.00 0.00 N ATOM 403 CA THR A 58 -7.884 4.309 -3.292 1.00 0.00 C ATOM 404 C THR A 58 -8.131 3.571 -4.608 1.00 0.00 C ATOM 405 O THR A 58 -8.383 2.365 -4.614 1.00 0.00 O ATOM 406 CB THR A 58 -8.924 5.415 -3.022 1.00 0.00 C ATOM 407 OG1 THR A 58 -8.552 6.162 -1.879 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.330 4.869 -2.760 1.00 0.00 C ATOM 0 H THR A 58 -6.559 5.908 -3.108 1.00 0.00 H new ATOM 0 HA THR A 58 -7.966 3.577 -2.488 1.00 0.00 H new ATOM 0 HB THR A 58 -8.945 6.027 -3.923 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.832 6.784 -2.115 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.014 5.698 -2.577 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.669 4.304 -3.628 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.310 4.216 -1.887 1.00 0.00 H new ATOM 409 N ASN A 59 -7.992 4.283 -5.732 1.00 0.00 N ATOM 410 CA ASN A 59 -8.184 3.690 -7.050 1.00 0.00 C ATOM 411 C ASN A 59 -7.226 2.509 -7.247 1.00 0.00 C ATOM 412 O ASN A 59 -7.599 1.515 -7.870 1.00 0.00 O ATOM 413 CB ASN A 59 -7.955 4.757 -8.130 1.00 0.00 C ATOM 414 CG ASN A 59 -8.544 4.411 -9.502 1.00 0.00 C ATOM 415 OD1 ASN A 59 -8.961 5.307 -10.226 1.00 0.00 O ATOM 416 ND2 ASN A 59 -8.606 3.142 -9.901 1.00 0.00 N ATOM 0 H ASN A 59 -7.747 5.273 -5.750 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.205 3.316 -7.131 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.387 5.698 -7.790 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.883 4.920 -8.240 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.002 2.913 -10.813 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.258 2.399 -9.295 1.00 0.00 H new ATOM 417 N ALA A 60 -5.996 2.618 -6.741 1.00 0.00 N ATOM 418 CA ALA A 60 -4.990 1.584 -6.879 1.00 0.00 C ATOM 419 C ALA A 60 -5.401 0.299 -6.163 1.00 0.00 C ATOM 420 O ALA A 60 -5.440 -0.751 -6.797 1.00 0.00 O ATOM 421 CB ALA A 60 -3.633 2.068 -6.343 1.00 0.00 C ATOM 0 H ALA A 60 -5.676 3.435 -6.222 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.896 1.366 -7.943 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.893 1.276 -6.457 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.313 2.946 -6.903 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.729 2.326 -5.288 1.00 0.00 H new ATOM 422 N VAL A 61 -5.739 0.357 -4.870 1.00 0.00 N ATOM 423 CA VAL A 61 -6.008 -0.880 -4.137 1.00 0.00 C ATOM 424 C VAL A 61 -7.422 -1.404 -4.408 1.00 0.00 C ATOM 425 O VAL A 61 -7.660 -2.595 -4.221 1.00 0.00 O ATOM 426 CB VAL A 61 -5.802 -0.699 -2.620 1.00 0.00 C ATOM 427 CG1 VAL A 61 -4.675 0.260 -2.259 1.00 0.00 C ATOM 428 CG2 VAL A 61 -7.030 -0.413 -1.773 1.00 0.00 C ATOM 0 H VAL A 61 -5.830 1.216 -4.327 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.291 -1.616 -4.500 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.509 -1.713 -2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.593 0.334 -1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.736 -0.111 -2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.888 1.245 -2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.736 -0.309 -0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.498 0.511 -2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.739 -1.235 -1.870 1.00 0.00 H new ATOM 429 N LYS A 62 -8.367 -0.551 -4.826 1.00 0.00 N ATOM 430 CA LYS A 62 -9.752 -0.962 -5.052 1.00 0.00 C ATOM 431 C LYS A 62 -9.883 -2.221 -5.923 1.00 0.00 C ATOM 432 O LYS A 62 -10.807 -3.004 -5.720 1.00 0.00 O ATOM 433 CB LYS A 62 -10.543 0.211 -5.661 1.00 0.00 C ATOM 434 CG LYS A 62 -12.051 -0.054 -5.797 1.00 0.00 C ATOM 435 CD LYS A 62 -12.712 -0.203 -4.421 1.00 0.00 C ATOM 436 CE LYS A 62 -14.236 -0.309 -4.520 1.00 0.00 C ATOM 437 NZ LYS A 62 -14.839 -0.411 -3.178 1.00 0.00 N ATOM 0 H LYS A 62 -8.191 0.436 -5.015 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.170 -1.230 -4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.395 1.096 -5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.135 0.439 -6.646 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.520 0.765 -6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.213 -0.960 -6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.319 -1.091 -3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.449 0.652 -3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.634 0.564 -5.037 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.507 -1.182 -5.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.873 -0.482 -3.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.474 -1.257 -2.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.596 0.434 -2.623 1.00 0.00 H new ATOM 438 N LYS A 63 -8.983 -2.432 -6.888 1.00 0.00 N ATOM 439 CA LYS A 63 -9.060 -3.595 -7.768 1.00 0.00 C ATOM 440 C LYS A 63 -8.585 -4.897 -7.101 1.00 0.00 C ATOM 441 O LYS A 63 -8.704 -5.955 -7.715 1.00 0.00 O ATOM 442 CB LYS A 63 -8.285 -3.304 -9.063 1.00 0.00 C ATOM 443 CG LYS A 63 -6.765 -3.229 -8.862 1.00 0.00 C ATOM 444 CD LYS A 63 -6.014 -2.867 -10.152 1.00 0.00 C ATOM 445 CE LYS A 63 -6.352 -1.476 -10.705 1.00 0.00 C ATOM 446 NZ LYS A 63 -6.153 -0.415 -9.701 1.00 0.00 N ATOM 0 H LYS A 63 -8.195 -1.812 -7.077 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.111 -3.764 -8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.509 -4.081 -9.794 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.635 -2.361 -9.483 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.540 -2.488 -8.095 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.404 -4.189 -8.493 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.942 -2.920 -9.963 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.241 -3.614 -10.913 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.729 -1.272 -11.576 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.388 -1.463 -11.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.638 0.379 -10.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.077 -0.083 -9.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.603 -0.791 -8.903 1.00 0.00 H new ATOM 447 N TYR A 64 -8.012 -4.849 -5.892 1.00 0.00 N ATOM 448 CA TYR A 64 -7.542 -6.006 -5.173 1.00 0.00 C ATOM 449 C TYR A 64 -8.675 -6.478 -4.258 1.00 0.00 C ATOM 450 O TYR A 64 -9.748 -5.884 -4.185 1.00 0.00 O ATOM 451 CB TYR A 64 -6.258 -5.635 -4.409 1.00 0.00 C ATOM 452 CG TYR A 64 -5.080 -5.242 -5.293 1.00 0.00 C ATOM 453 CD1 TYR A 64 -5.042 -3.993 -5.939 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.011 -6.137 -5.480 1.00 0.00 C ATOM 455 CE1 TYR A 64 -3.924 -3.620 -6.705 1.00 0.00 C ATOM 456 CE2 TYR A 64 -2.897 -5.767 -6.254 1.00 0.00 C ATOM 457 CZ TYR A 64 -2.837 -4.494 -6.835 1.00 0.00 C ATOM 458 OH TYR A 64 -1.739 -4.108 -7.543 1.00 0.00 O ATOM 0 H TYR A 64 -7.866 -3.975 -5.387 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.282 -6.829 -5.839 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.479 -4.808 -3.734 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.963 -6.482 -3.790 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.878 -3.316 -5.846 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.046 -7.116 -5.025 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.903 -2.657 -7.194 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.086 -6.465 -6.401 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.941 -4.533 -7.166 1.00 0.00 H new ATOM 459 N SER A 65 -8.396 -7.559 -3.546 1.00 0.00 N ATOM 460 CA SER A 65 -9.285 -8.257 -2.629 1.00 0.00 C ATOM 461 C SER A 65 -8.599 -8.411 -1.275 1.00 0.00 C ATOM 462 O SER A 65 -7.373 -8.429 -1.220 1.00 0.00 O ATOM 463 CB SER A 65 -9.605 -9.641 -3.206 1.00 0.00 C ATOM 464 OG SER A 65 -9.878 -9.561 -4.590 1.00 0.00 O ATOM 0 H SER A 65 -7.479 -8.003 -3.597 1.00 0.00 H new ATOM 0 HA SER A 65 -10.207 -7.690 -2.500 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.764 -10.313 -3.036 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.464 -10.066 -2.686 1.00 0.00 H new ATOM 0 HG SER A 65 -9.035 -9.519 -5.088 1.00 0.00 H new ATOM 465 N ASP A 66 -9.375 -8.586 -0.203 1.00 0.00 N ATOM 466 CA ASP A 66 -8.894 -8.731 1.171 1.00 0.00 C ATOM 467 C ASP A 66 -7.620 -9.578 1.306 1.00 0.00 C ATOM 468 O ASP A 66 -6.651 -9.149 1.928 1.00 0.00 O ATOM 469 CB ASP A 66 -10.010 -9.351 2.017 1.00 0.00 C ATOM 470 CG ASP A 66 -9.535 -9.561 3.448 1.00 0.00 C ATOM 471 OD1 ASP A 66 -9.356 -8.532 4.132 1.00 0.00 O ATOM 472 OD2 ASP A 66 -9.336 -10.737 3.818 1.00 0.00 O ATOM 0 H ASP A 66 -10.392 -8.632 -0.271 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.629 -7.733 1.519 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.885 -8.701 2.009 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.316 -10.304 1.585 1.00 0.00 H new ATOM 473 N GLU A 67 -7.611 -10.778 0.720 1.00 0.00 N ATOM 474 CA GLU A 67 -6.468 -11.679 0.814 1.00 0.00 C ATOM 475 C GLU A 67 -5.243 -11.053 0.137 1.00 0.00 C ATOM 476 O GLU A 67 -4.117 -11.170 0.621 1.00 0.00 O ATOM 477 CB GLU A 67 -6.848 -13.033 0.191 1.00 0.00 C ATOM 478 CG GLU A 67 -6.105 -14.219 0.828 1.00 0.00 C ATOM 479 CD GLU A 67 -4.593 -14.180 0.635 1.00 0.00 C ATOM 480 OE1 GLU A 67 -4.159 -14.239 -0.537 1.00 0.00 O ATOM 481 OE2 GLU A 67 -3.879 -14.121 1.659 1.00 0.00 O ATOM 0 H GLU A 67 -8.389 -11.146 0.173 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.202 -11.846 1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.922 -13.186 0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.632 -13.008 -0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.324 -14.241 1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.491 -15.146 0.404 1.00 0.00 H new ATOM 482 N GLU A 68 -5.460 -10.384 -0.996 1.00 0.00 N ATOM 483 CA GLU A 68 -4.395 -9.727 -1.726 1.00 0.00 C ATOM 484 C GLU A 68 -3.881 -8.564 -0.876 1.00 0.00 C ATOM 485 O GLU A 68 -2.676 -8.398 -0.750 1.00 0.00 O ATOM 486 CB GLU A 68 -4.900 -9.258 -3.090 1.00 0.00 C ATOM 487 CG GLU A 68 -5.453 -10.405 -3.946 1.00 0.00 C ATOM 488 CD GLU A 68 -5.993 -9.877 -5.270 1.00 0.00 C ATOM 489 OE1 GLU A 68 -7.182 -9.487 -5.278 1.00 0.00 O ATOM 490 OE2 GLU A 68 -5.204 -9.849 -6.237 1.00 0.00 O ATOM 0 H GLU A 68 -6.380 -10.287 -1.426 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.573 -10.418 -1.914 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.679 -8.510 -2.946 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.085 -8.771 -3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.667 -11.137 -4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.246 -10.921 -3.404 1.00 0.00 H new ATOM 491 N LEU A 69 -4.779 -7.768 -0.286 1.00 0.00 N ATOM 492 CA LEU A 69 -4.406 -6.661 0.591 1.00 0.00 C ATOM 493 C LEU A 69 -3.554 -7.180 1.752 1.00 0.00 C ATOM 494 O LEU A 69 -2.520 -6.602 2.090 1.00 0.00 O ATOM 495 CB LEU A 69 -5.665 -5.967 1.126 1.00 0.00 C ATOM 496 CG LEU A 69 -6.525 -5.329 0.030 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.728 -4.635 0.672 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.709 -4.340 -0.800 1.00 0.00 C ATOM 0 H LEU A 69 -5.786 -7.876 -0.406 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.823 -5.937 0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.267 -6.694 1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.370 -5.197 1.839 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.878 -6.110 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.343 -4.180 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.320 -5.367 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.379 -3.863 1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.343 -3.902 -1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.326 -3.551 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.875 -4.861 -1.270 1.00 0.00 H new ATOM 499 N LYS A 70 -3.990 -8.277 2.372 1.00 0.00 N ATOM 500 CA LYS A 70 -3.261 -8.893 3.465 1.00 0.00 C ATOM 501 C LYS A 70 -1.869 -9.301 2.973 1.00 0.00 C ATOM 502 O LYS A 70 -0.869 -8.943 3.593 1.00 0.00 O ATOM 503 CB LYS A 70 -4.066 -10.090 3.988 1.00 0.00 C ATOM 504 CG LYS A 70 -3.404 -10.739 5.210 1.00 0.00 C ATOM 505 CD LYS A 70 -4.294 -11.822 5.837 1.00 0.00 C ATOM 506 CE LYS A 70 -4.542 -12.991 4.876 1.00 0.00 C ATOM 507 NZ LYS A 70 -5.265 -14.089 5.540 1.00 0.00 N ATOM 0 H LYS A 70 -4.856 -8.757 2.127 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.128 -8.193 4.290 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.072 -9.763 4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.169 -10.831 3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.451 -11.178 4.916 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.186 -9.973 5.954 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.824 -12.195 6.747 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.248 -11.383 6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.116 -12.642 4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.589 -13.359 4.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.417 -14.864 4.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.705 -14.437 6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.184 -13.743 5.882 1.00 0.00 H new ATOM 508 N ALA A 71 -1.797 -9.999 1.833 1.00 0.00 N ATOM 509 CA ALA A 71 -0.535 -10.451 1.271 1.00 0.00 C ATOM 510 C ALA A 71 0.376 -9.260 1.008 1.00 0.00 C ATOM 511 O ALA A 71 1.563 -9.299 1.330 1.00 0.00 O ATOM 512 CB ALA A 71 -0.791 -11.218 -0.024 1.00 0.00 C ATOM 0 H ALA A 71 -2.614 -10.262 1.282 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.044 -11.114 1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.158 -11.555 -0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.423 -12.082 0.183 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.291 -10.566 -0.740 1.00 0.00 H new ATOM 513 N LEU A 72 -0.182 -8.207 0.406 1.00 0.00 N ATOM 514 CA LEU A 72 0.543 -6.997 0.112 1.00 0.00 C ATOM 515 C LEU A 72 1.165 -6.475 1.394 1.00 0.00 C ATOM 516 O LEU A 72 2.382 -6.386 1.470 1.00 0.00 O ATOM 517 CB LEU A 72 -0.446 -5.974 -0.442 1.00 0.00 C ATOM 518 CG LEU A 72 -0.600 -6.132 -1.944 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.650 -5.150 -2.412 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.687 -5.723 -2.630 1.00 0.00 C ATOM 0 H LEU A 72 -1.158 -8.183 0.112 1.00 0.00 H new ATOM 0 HA LEU A 72 1.331 -7.182 -0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.414 -6.098 0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.101 -4.966 -0.211 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.859 -7.166 -2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.780 -5.243 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.595 -5.362 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.332 -4.135 -2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.576 -5.836 -3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.909 -4.682 -2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.503 -6.356 -2.280 1.00 0.00 H new ATOM 521 N ALA A 73 0.349 -6.167 2.407 1.00 0.00 N ATOM 522 CA ALA A 73 0.870 -5.614 3.647 1.00 0.00 C ATOM 523 C ALA A 73 1.929 -6.531 4.248 1.00 0.00 C ATOM 524 O ALA A 73 2.972 -6.048 4.680 1.00 0.00 O ATOM 525 CB ALA A 73 -0.248 -5.442 4.678 1.00 0.00 C ATOM 0 H ALA A 73 -0.663 -6.292 2.388 1.00 0.00 H new ATOM 0 HA ALA A 73 1.309 -4.645 3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.165 -5.027 5.597 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.006 -4.766 4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.701 -6.411 4.889 1.00 0.00 H new ATOM 526 N ASP A 74 1.654 -7.839 4.304 1.00 0.00 N ATOM 527 CA ASP A 74 2.600 -8.809 4.841 1.00 0.00 C ATOM 528 C ASP A 74 3.940 -8.622 4.135 1.00 0.00 C ATOM 529 O ASP A 74 4.976 -8.554 4.794 1.00 0.00 O ATOM 530 CB ASP A 74 2.089 -10.247 4.659 1.00 0.00 C ATOM 531 CG ASP A 74 0.847 -10.572 5.485 1.00 0.00 C ATOM 532 OD1 ASP A 74 0.655 -9.921 6.535 1.00 0.00 O ATOM 533 OD2 ASP A 74 0.117 -11.493 5.056 1.00 0.00 O ATOM 0 H ASP A 74 0.777 -8.247 3.980 1.00 0.00 H new ATOM 0 HA ASP A 74 2.717 -8.643 5.912 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.866 -10.412 3.605 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.885 -10.942 4.929 1.00 0.00 H new ATOM 534 N TYR A 75 3.917 -8.518 2.801 1.00 0.00 N ATOM 535 CA TYR A 75 5.122 -8.293 2.025 1.00 0.00 C ATOM 536 C TYR A 75 5.700 -6.912 2.349 1.00 0.00 C ATOM 537 O TYR A 75 6.796 -6.837 2.898 1.00 0.00 O ATOM 538 CB TYR A 75 4.842 -8.448 0.524 1.00 0.00 C ATOM 539 CG TYR A 75 6.017 -7.988 -0.312 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.263 -8.616 -0.131 1.00 0.00 C ATOM 541 CD2 TYR A 75 5.949 -6.760 -0.999 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.437 -7.999 -0.588 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.123 -6.164 -1.490 1.00 0.00 C ATOM 544 CZ TYR A 75 8.370 -6.762 -1.248 1.00 0.00 C ATOM 545 OH TYR A 75 9.511 -6.109 -1.591 1.00 0.00 O ATOM 0 H TYR A 75 3.067 -8.588 2.242 1.00 0.00 H new ATOM 0 HA TYR A 75 5.863 -9.045 2.295 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.622 -9.492 0.300 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.957 -7.871 0.257 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.316 -9.576 0.361 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.995 -6.277 -1.148 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.393 -8.476 -0.432 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.066 -5.245 -2.054 1.00 0.00 H new ATOM 0 HH TYR A 75 10.242 -6.399 -1.007 1.00 0.00 H new ATOM 546 N MET A 76 4.989 -5.825 2.019 1.00 0.00 N ATOM 547 CA MET A 76 5.426 -4.457 2.262 1.00 0.00 C ATOM 548 C MET A 76 5.988 -4.208 3.660 1.00 0.00 C ATOM 549 O MET A 76 6.837 -3.340 3.831 1.00 0.00 O ATOM 550 CB MET A 76 4.233 -3.531 2.053 1.00 0.00 C ATOM 551 CG MET A 76 3.911 -3.413 0.568 1.00 0.00 C ATOM 552 SD MET A 76 2.178 -3.632 0.139 1.00 0.00 S ATOM 553 CE MET A 76 1.441 -2.266 1.027 1.00 0.00 C ATOM 0 H MET A 76 4.076 -5.881 1.567 1.00 0.00 H new ATOM 0 HA MET A 76 6.241 -4.264 1.564 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.366 -3.916 2.591 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.452 -2.546 2.464 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.234 -2.432 0.220 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.499 -4.153 0.025 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.542 -1.937 0.507 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.180 -2.586 2.036 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.152 -1.441 1.081 1.00 0.00 H new ATOM 554 N SER A 77 5.491 -4.909 4.675 1.00 0.00 N ATOM 555 CA SER A 77 6.002 -4.709 6.022 1.00 0.00 C ATOM 556 C SER A 77 7.481 -5.105 6.093 1.00 0.00 C ATOM 557 O SER A 77 8.246 -4.482 6.824 1.00 0.00 O ATOM 558 CB SER A 77 5.129 -5.449 7.038 1.00 0.00 C ATOM 559 OG SER A 77 5.300 -4.911 8.338 1.00 0.00 O ATOM 0 H SER A 77 4.751 -5.606 4.592 1.00 0.00 H new ATOM 0 HA SER A 77 5.950 -3.652 6.282 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.082 -5.376 6.745 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.386 -6.508 7.042 1.00 0.00 H new ATOM 0 HG SER A 77 5.270 -3.932 8.294 1.00 0.00 H new ATOM 560 N LYS A 78 7.888 -6.137 5.347 1.00 0.00 N ATOM 561 CA LYS A 78 9.287 -6.544 5.282 1.00 0.00 C ATOM 562 C LYS A 78 9.965 -5.639 4.246 1.00 0.00 C ATOM 563 O LYS A 78 11.008 -5.041 4.504 1.00 0.00 O ATOM 564 CB LYS A 78 9.408 -8.024 4.877 1.00 0.00 C ATOM 565 CG LYS A 78 8.394 -8.955 5.554 1.00 0.00 C ATOM 566 CD LYS A 78 8.450 -8.899 7.087 1.00 0.00 C ATOM 567 CE LYS A 78 7.399 -9.833 7.701 1.00 0.00 C ATOM 568 NZ LYS A 78 6.024 -9.365 7.440 1.00 0.00 N ATOM 0 H LYS A 78 7.261 -6.706 4.778 1.00 0.00 H new ATOM 0 HA LYS A 78 9.765 -6.443 6.256 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.289 -8.103 3.796 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.414 -8.371 5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.390 -8.689 5.224 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.576 -9.979 5.228 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.444 -9.186 7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.278 -7.877 7.425 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.524 -10.836 7.294 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.560 -9.903 8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.346 -10.005 7.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.906 -8.404 7.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.849 -9.355 6.415 1.00 0.00 H new ATOM 569 N LEU A 79 9.293 -5.539 3.095 1.00 0.00 N ATOM 570 CA LEU A 79 9.636 -4.784 1.906 1.00 0.00 C ATOM 571 C LEU A 79 10.933 -5.333 1.290 1.00 0.00 C ATOM 572 O LEU A 79 11.994 -4.688 1.433 1.00 0.00 O ATOM 573 CB LEU A 79 9.689 -3.277 2.226 1.00 0.00 C ATOM 574 CG LEU A 79 9.316 -2.311 1.079 1.00 0.00 C ATOM 575 CD1 LEU A 79 9.147 -2.959 -0.284 1.00 0.00 C ATOM 576 CD2 LEU A 79 7.974 -1.624 1.304 1.00 0.00 C ATOM 577 OXT LEU A 79 10.829 -6.392 0.630 1.00 0.00 O ATOM 0 H LEU A 79 8.411 -6.036 2.970 1.00 0.00 H new ATOM 0 HA LEU A 79 8.861 -4.904 1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.021 -3.083 3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.698 -3.035 2.560 1.00 0.00 H new ATOM 0 HG LEU A 79 10.167 -1.629 1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.886 -2.198 -1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.080 -3.441 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.353 -3.704 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.762 -0.957 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.188 -2.376 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.011 -1.047 2.228 1.00 0.00 H new