USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 396 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 52 SER OG : rot 133:sc= 1.1 USER MOD Set 1.2: A 54 SER OG : rot 38:sc= 0.871 USER MOD Set 1.3: A 57 ASN :FLIP amide:sc= -1.22! C(o=-2.2!,f=0.74!) USER MOD Set 2.1: A 39 SER OG : rot -6:sc= 1.58 USER MOD Set 2.2: A 56 THR OG1 : rot -153:sc= 1.13 USER MOD Set 3.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 29 LYS NZ :NH3+ 152:sc= 1.06 (180deg=0.576) USER MOD Single : A 1 LYS N :NH3+ -172:sc= 0.588 (180deg=0.539) USER MOD Single : A 1 LYS NZ :NH3+ -151:sc= 0.99 (180deg=0.497) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.0614 USER MOD Single : A 9 LYS NZ :NH3+ 165:sc=-0.00256 (180deg=-0.399) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -127:sc= -1.19 (180deg=-5.51!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.355 X(o=-0.35,f=-0.35) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.506 K(o=-0.51,f=-3.7!) USER MOD Single : A 24 GLN : amide:sc= -0.766 K(o=-0.77,f=-2.1) USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= -0.04 (180deg=-0.408) USER MOD Single : A 27 MET CE :methyl -179:sc= 0 (180deg=-0.000853) USER MOD Single : A 28 LYS NZ :NH3+ 159:sc= -0.0313 (180deg=-0.318) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= -0.145 K(o=-0.15,f=-3.1!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0166 USER MOD Single : A 48 ASN : amide:sc= -0.805 K(o=-0.81,f=-7.7!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.000 0.000 0.000 1.00 10.00 N ATOM 2 CA LYS A 1 1.453 0.000 0.000 1.00 10.00 C ATOM 3 C LYS A 1 1.959 0.735 1.243 1.00 10.00 C ATOM 4 O LYS A 1 1.167 1.275 2.014 1.00 10.00 O ATOM 5 CB LYS A 1 1.989 0.573 -1.314 1.00 10.00 C ATOM 6 CG LYS A 1 1.907 2.101 -1.319 1.00 10.00 C ATOM 7 CD LYS A 1 2.258 2.663 -2.698 1.00 10.00 C ATOM 8 CE LYS A 1 2.623 4.146 -2.608 1.00 10.00 C ATOM 9 NZ LYS A 1 1.488 4.928 -2.068 1.00 10.00 N ATOM 0 H1 LYS A 1 -0.347 -0.612 -0.766 1.00 10.00 H new ATOM 0 H2 LYS A 1 -0.347 -0.358 0.913 1.00 10.00 H new ATOM 0 H3 LYS A 1 -0.347 0.969 -0.147 1.00 10.00 H new ATOM 0 HA LYS A 1 1.834 -1.020 0.055 1.00 10.00 H new ATOM 0 HB2 LYS A 1 3.023 0.260 -1.456 1.00 10.00 H new ATOM 0 HB3 LYS A 1 1.417 0.172 -2.150 1.00 10.00 H new ATOM 0 HG2 LYS A 1 0.902 2.416 -1.039 1.00 10.00 H new ATOM 0 HG3 LYS A 1 2.588 2.508 -0.572 1.00 10.00 H new ATOM 0 HD2 LYS A 1 3.093 2.104 -3.121 1.00 10.00 H new ATOM 0 HD3 LYS A 1 1.413 2.533 -3.374 1.00 10.00 H new ATOM 0 HE2 LYS A 1 3.497 4.273 -1.969 1.00 10.00 H new ATOM 0 HE3 LYS A 1 2.893 4.521 -3.595 1.00 10.00 H new ATOM 0 HZ1 LYS A 1 1.523 5.896 -2.446 1.00 10.00 H new ATOM 0 HZ2 LYS A 1 0.593 4.479 -2.348 1.00 10.00 H new ATOM 0 HZ3 LYS A 1 1.550 4.959 -1.030 1.00 10.00 H new ATOM 22 N ASP A 2 3.274 0.732 1.399 1.00 10.00 N ATOM 23 CA ASP A 2 3.888 1.295 2.589 1.00 10.00 C ATOM 24 C ASP A 2 4.963 2.302 2.176 1.00 10.00 C ATOM 25 O ASP A 2 5.595 2.148 1.131 1.00 10.00 O ATOM 26 CB ASP A 2 4.558 0.207 3.431 1.00 10.00 C ATOM 27 CG ASP A 2 3.849 -1.149 3.419 1.00 10.00 C ATOM 28 OD1 ASP A 2 4.370 -2.138 2.884 1.00 10.00 O ATOM 29 OD2 ASP A 2 2.696 -1.165 3.998 1.00 10.00 O ATOM 0 H ASP A 2 3.932 0.348 0.721 1.00 10.00 H new ATOM 0 HA ASP A 2 3.105 1.775 3.177 1.00 10.00 H new ATOM 0 HB2 ASP A 2 5.579 0.069 3.074 1.00 10.00 H new ATOM 0 HB3 ASP A 2 4.625 0.556 4.461 1.00 10.00 H new ATOM 35 N GLY A 3 5.139 3.311 3.016 1.00 10.00 N ATOM 36 CA GLY A 3 6.173 4.305 2.787 1.00 10.00 C ATOM 37 C GLY A 3 5.934 5.552 3.641 1.00 10.00 C ATOM 38 O GLY A 3 5.183 5.508 4.613 1.00 10.00 O ATOM 0 H GLY A 3 4.582 3.462 3.857 1.00 10.00 H new ATOM 0 HA2 GLY A 3 7.149 3.880 3.022 1.00 10.00 H new ATOM 0 HA3 GLY A 3 6.191 4.580 1.732 1.00 10.00 H new ATOM 42 N TYR A 4 6.588 6.635 3.245 1.00 10.00 N ATOM 43 CA TYR A 4 6.356 7.922 3.879 1.00 10.00 C ATOM 44 C TYR A 4 5.726 8.911 2.896 1.00 10.00 C ATOM 45 O TYR A 4 6.421 9.493 2.065 1.00 10.00 O ATOM 46 CB TYR A 4 7.733 8.442 4.295 1.00 10.00 C ATOM 47 CG TYR A 4 8.498 7.500 5.227 1.00 10.00 C ATOM 48 CD1 TYR A 4 8.345 7.609 6.594 1.00 10.00 C ATOM 49 CD2 TYR A 4 9.341 6.542 4.701 1.00 10.00 C ATOM 50 CE1 TYR A 4 9.065 6.722 7.472 1.00 10.00 C ATOM 51 CE2 TYR A 4 10.060 5.656 5.579 1.00 10.00 C ATOM 52 CZ TYR A 4 9.887 5.790 6.921 1.00 10.00 C ATOM 53 OH TYR A 4 10.567 4.953 7.750 1.00 10.00 O ATOM 0 H TYR A 4 7.278 6.647 2.494 1.00 10.00 H new ATOM 0 HA TYR A 4 5.676 7.816 4.725 1.00 10.00 H new ATOM 0 HB2 TYR A 4 8.330 8.615 3.400 1.00 10.00 H new ATOM 0 HB3 TYR A 4 7.612 9.406 4.789 1.00 10.00 H new ATOM 0 HD1 TYR A 4 7.686 8.359 7.006 1.00 10.00 H new ATOM 0 HD2 TYR A 4 9.461 6.457 3.631 1.00 10.00 H new ATOM 0 HE1 TYR A 4 8.954 6.796 8.544 1.00 10.00 H new ATOM 0 HE2 TYR A 4 10.722 4.902 5.180 1.00 10.00 H new ATOM 0 HH TYR A 4 11.115 4.339 7.218 1.00 10.00 H new ATOM 63 N PRO A 5 4.382 9.075 3.026 1.00 10.00 N ATOM 64 CA PRO A 5 3.621 9.828 2.044 1.00 10.00 C ATOM 65 C PRO A 5 3.855 11.332 2.205 1.00 10.00 C ATOM 66 O PRO A 5 4.186 11.799 3.294 1.00 10.00 O ATOM 67 CB PRO A 5 2.174 9.424 2.274 1.00 10.00 C ATOM 68 CG PRO A 5 2.126 8.821 3.669 1.00 10.00 C ATOM 69 CD PRO A 5 3.555 8.549 4.108 1.00 10.00 C ATOM 0 HA PRO A 5 3.923 9.610 1.020 1.00 10.00 H new ATOM 0 HB2 PRO A 5 1.511 10.286 2.198 1.00 10.00 H new ATOM 0 HB3 PRO A 5 1.846 8.703 1.525 1.00 10.00 H new ATOM 0 HG2 PRO A 5 1.637 9.504 4.363 1.00 10.00 H new ATOM 0 HG3 PRO A 5 1.545 7.899 3.666 1.00 10.00 H new ATOM 0 HD2 PRO A 5 3.779 9.043 5.054 1.00 10.00 H new ATOM 0 HD3 PRO A 5 3.728 7.483 4.256 1.00 10.00 H new ATOM 77 N VAL A 6 3.673 12.048 1.106 1.00 10.00 N ATOM 78 CA VAL A 6 3.626 13.499 1.157 1.00 10.00 C ATOM 79 C VAL A 6 2.462 13.998 0.297 1.00 10.00 C ATOM 80 O VAL A 6 2.264 13.525 -0.821 1.00 10.00 O ATOM 81 CB VAL A 6 4.976 14.082 0.732 1.00 10.00 C ATOM 82 CG1 VAL A 6 6.011 13.938 1.849 1.00 10.00 C ATOM 83 CG2 VAL A 6 5.471 13.431 -0.562 1.00 10.00 C ATOM 0 H VAL A 6 3.556 11.650 0.174 1.00 10.00 H new ATOM 0 HA VAL A 6 3.446 13.840 2.177 1.00 10.00 H new ATOM 0 HB VAL A 6 4.836 15.146 0.540 1.00 10.00 H new ATOM 0 HG11 VAL A 6 6.961 14.360 1.521 1.00 10.00 H new ATOM 0 HG12 VAL A 6 5.665 14.468 2.736 1.00 10.00 H new ATOM 0 HG13 VAL A 6 6.145 12.883 2.087 1.00 10.00 H new ATOM 0 HG21 VAL A 6 6.432 13.863 -0.842 1.00 10.00 H new ATOM 0 HG22 VAL A 6 5.586 12.358 -0.408 1.00 10.00 H new ATOM 0 HG23 VAL A 6 4.748 13.608 -1.358 1.00 10.00 H new ATOM 93 N ASP A 7 1.723 14.947 0.853 1.00 10.00 N ATOM 94 CA ASP A 7 0.714 15.655 0.084 1.00 10.00 C ATOM 95 C ASP A 7 0.220 16.860 0.887 1.00 10.00 C ATOM 96 O ASP A 7 0.556 18.001 0.571 1.00 10.00 O ATOM 97 CB ASP A 7 -0.489 14.756 -0.207 1.00 10.00 C ATOM 98 CG ASP A 7 -0.685 13.600 0.776 1.00 10.00 C ATOM 99 OD1 ASP A 7 -1.006 13.812 1.955 1.00 10.00 O ATOM 100 OD2 ASP A 7 -0.492 12.425 0.281 1.00 10.00 O ATOM 0 H ASP A 7 1.803 15.242 1.826 1.00 10.00 H new ATOM 0 HA ASP A 7 1.166 15.968 -0.857 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -1.390 15.369 -0.208 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -0.382 14.345 -1.211 1.00 10.00 H new ATOM 106 N SER A 8 -0.570 16.566 1.909 1.00 10.00 N ATOM 107 CA SER A 8 -1.100 17.610 2.769 1.00 10.00 C ATOM 108 C SER A 8 -0.081 17.961 3.855 1.00 10.00 C ATOM 109 O SER A 8 -0.032 19.099 4.321 1.00 10.00 O ATOM 110 CB SER A 8 -2.424 17.182 3.404 1.00 10.00 C ATOM 111 OG SER A 8 -2.239 16.188 4.408 1.00 10.00 O ATOM 0 H SER A 8 -0.856 15.620 2.161 1.00 10.00 H new ATOM 0 HA SER A 8 -1.290 18.492 2.158 1.00 10.00 H new ATOM 0 HB2 SER A 8 -2.914 18.052 3.841 1.00 10.00 H new ATOM 0 HB3 SER A 8 -3.089 16.797 2.631 1.00 10.00 H new ATOM 0 HG SER A 8 -3.108 15.943 4.790 1.00 10.00 H new ATOM 117 N LYS A 9 0.708 16.964 4.226 1.00 10.00 N ATOM 118 CA LYS A 9 1.621 17.108 5.348 1.00 10.00 C ATOM 119 C LYS A 9 2.902 17.797 4.872 1.00 10.00 C ATOM 120 O LYS A 9 3.665 18.323 5.680 1.00 10.00 O ATOM 121 CB LYS A 9 1.863 15.755 6.020 1.00 10.00 C ATOM 122 CG LYS A 9 2.443 14.746 5.027 1.00 10.00 C ATOM 123 CD LYS A 9 1.441 13.628 4.732 1.00 10.00 C ATOM 124 CE LYS A 9 1.451 12.576 5.843 1.00 10.00 C ATOM 125 NZ LYS A 9 0.399 11.563 5.606 1.00 10.00 N ATOM 0 H LYS A 9 0.734 16.052 3.769 1.00 10.00 H new ATOM 0 HA LYS A 9 1.183 17.745 6.117 1.00 10.00 H new ATOM 0 HB2 LYS A 9 2.547 15.879 6.859 1.00 10.00 H new ATOM 0 HB3 LYS A 9 0.926 15.374 6.426 1.00 10.00 H new ATOM 0 HG2 LYS A 9 2.709 15.254 4.100 1.00 10.00 H new ATOM 0 HG3 LYS A 9 3.361 14.319 5.431 1.00 10.00 H new ATOM 0 HD2 LYS A 9 0.440 14.048 4.633 1.00 10.00 H new ATOM 0 HD3 LYS A 9 1.685 13.158 3.779 1.00 10.00 H new ATOM 0 HE2 LYS A 9 2.427 12.092 5.885 1.00 10.00 H new ATOM 0 HE3 LYS A 9 1.291 13.056 6.808 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 0.575 10.733 6.207 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -0.531 11.967 5.837 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 0.413 11.276 4.607 1.00 10.00 H new ATOM 138 N GLY A 10 3.098 17.770 3.562 1.00 10.00 N ATOM 139 CA GLY A 10 4.203 18.493 2.956 1.00 10.00 C ATOM 140 C GLY A 10 5.511 17.711 3.093 1.00 10.00 C ATOM 141 O GLY A 10 5.992 17.125 2.125 1.00 10.00 O ATOM 0 H GLY A 10 2.510 17.259 2.903 1.00 10.00 H new ATOM 0 HA2 GLY A 10 3.991 18.672 1.902 1.00 10.00 H new ATOM 0 HA3 GLY A 10 4.307 19.469 3.430 1.00 10.00 H new ATOM 145 N CYS A 11 6.048 17.726 4.304 1.00 10.00 N ATOM 146 CA CYS A 11 7.289 17.022 4.582 1.00 10.00 C ATOM 147 C CYS A 11 7.078 16.148 5.820 1.00 10.00 C ATOM 148 O CYS A 11 7.766 16.314 6.825 1.00 10.00 O ATOM 149 CB CYS A 11 8.461 17.989 4.759 1.00 10.00 C ATOM 150 SG CYS A 11 9.092 18.723 3.206 1.00 10.00 S ATOM 0 H CYS A 11 5.647 18.215 5.104 1.00 10.00 H new ATOM 0 HA CYS A 11 7.550 16.391 3.733 1.00 10.00 H new ATOM 0 HB2 CYS A 11 8.152 18.794 5.425 1.00 10.00 H new ATOM 0 HB3 CYS A 11 9.277 17.462 5.253 1.00 10.00 H new ATOM 0 HG CYS A 11 10.079 19.525 3.475 1.00 10.00 H new ATOM 155 N LYS A 12 6.124 15.236 5.705 1.00 10.00 N ATOM 156 CA LYS A 12 5.997 14.160 6.674 1.00 10.00 C ATOM 157 C LYS A 12 5.507 14.734 8.005 1.00 10.00 C ATOM 158 O LYS A 12 5.491 15.949 8.193 1.00 10.00 O ATOM 159 CB LYS A 12 7.310 13.382 6.786 1.00 10.00 C ATOM 160 CG LYS A 12 7.147 11.954 6.259 1.00 10.00 C ATOM 161 CD LYS A 12 6.842 11.954 4.760 1.00 10.00 C ATOM 162 CE LYS A 12 8.131 11.934 3.938 1.00 10.00 C ATOM 163 NZ LYS A 12 8.659 13.306 3.767 1.00 10.00 N ATOM 0 H LYS A 12 5.432 15.220 4.956 1.00 10.00 H new ATOM 0 HA LYS A 12 5.252 13.436 6.344 1.00 10.00 H new ATOM 0 HB2 LYS A 12 8.090 13.895 6.223 1.00 10.00 H new ATOM 0 HB3 LYS A 12 7.633 13.355 7.827 1.00 10.00 H new ATOM 0 HG2 LYS A 12 8.058 11.387 6.448 1.00 10.00 H new ATOM 0 HG3 LYS A 12 6.342 11.454 6.797 1.00 10.00 H new ATOM 0 HD2 LYS A 12 6.233 11.085 4.509 1.00 10.00 H new ATOM 0 HD3 LYS A 12 6.257 12.838 4.504 1.00 10.00 H new ATOM 0 HE2 LYS A 12 8.875 11.311 4.434 1.00 10.00 H new ATOM 0 HE3 LYS A 12 7.940 11.487 2.962 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 8.817 13.494 2.756 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 7.973 13.991 4.143 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 9.558 13.398 4.281 1.00 10.00 H new ATOM 176 N LEU A 13 5.119 13.831 8.894 1.00 10.00 N ATOM 177 CA LEU A 13 4.777 14.219 10.252 1.00 10.00 C ATOM 178 C LEU A 13 5.879 13.749 11.204 1.00 10.00 C ATOM 179 O LEU A 13 6.188 12.560 11.265 1.00 10.00 O ATOM 180 CB LEU A 13 3.385 13.703 10.622 1.00 10.00 C ATOM 181 CG LEU A 13 2.250 14.099 9.675 1.00 10.00 C ATOM 182 CD1 LEU A 13 1.135 13.052 9.688 1.00 10.00 C ATOM 183 CD2 LEU A 13 1.726 15.499 10.003 1.00 10.00 C ATOM 0 H LEU A 13 5.034 12.833 8.701 1.00 10.00 H new ATOM 0 HA LEU A 13 4.723 15.304 10.336 1.00 10.00 H new ATOM 0 HB2 LEU A 13 3.425 12.615 10.675 1.00 10.00 H new ATOM 0 HB3 LEU A 13 3.140 14.062 11.622 1.00 10.00 H new ATOM 0 HG LEU A 13 2.647 14.133 8.661 1.00 10.00 H new ATOM 0 HD11 LEU A 13 0.341 13.358 9.007 1.00 10.00 H new ATOM 0 HD12 LEU A 13 1.536 12.090 9.370 1.00 10.00 H new ATOM 0 HD13 LEU A 13 0.733 12.962 10.697 1.00 10.00 H new ATOM 0 HD21 LEU A 13 0.920 15.756 9.316 1.00 10.00 H new ATOM 0 HD22 LEU A 13 1.350 15.516 11.026 1.00 10.00 H new ATOM 0 HD23 LEU A 13 2.534 16.223 9.902 1.00 10.00 H new ATOM 195 N SER A 14 6.443 14.708 11.925 1.00 10.00 N ATOM 196 CA SER A 14 7.506 14.408 12.868 1.00 10.00 C ATOM 197 C SER A 14 6.981 13.493 13.976 1.00 10.00 C ATOM 198 O SER A 14 7.713 12.648 14.488 1.00 10.00 O ATOM 199 CB SER A 14 8.087 15.690 13.470 1.00 10.00 C ATOM 200 OG SER A 14 7.084 16.490 14.090 1.00 10.00 O ATOM 0 H SER A 14 6.183 15.693 11.874 1.00 10.00 H new ATOM 0 HA SER A 14 8.304 13.896 12.331 1.00 10.00 H new ATOM 0 HB2 SER A 14 8.850 15.432 14.204 1.00 10.00 H new ATOM 0 HB3 SER A 14 8.579 16.268 12.687 1.00 10.00 H new ATOM 0 HG SER A 14 7.494 17.298 14.463 1.00 10.00 H new ATOM 206 N CYS A 15 5.715 13.693 14.314 1.00 10.00 N ATOM 207 CA CYS A 15 5.041 12.807 15.247 1.00 10.00 C ATOM 208 C CYS A 15 5.573 13.094 16.653 1.00 10.00 C ATOM 209 O CYS A 15 6.714 13.523 16.813 1.00 10.00 O ATOM 210 CB CYS A 15 5.217 11.337 14.859 1.00 10.00 C ATOM 211 SG CYS A 15 6.482 10.435 15.826 1.00 10.00 S ATOM 0 H CYS A 15 5.139 14.456 13.958 1.00 10.00 H new ATOM 0 HA CYS A 15 3.968 12.996 15.221 1.00 10.00 H new ATOM 0 HB2 CYS A 15 4.260 10.828 14.975 1.00 10.00 H new ATOM 0 HB3 CYS A 15 5.481 11.284 13.803 1.00 10.00 H new ATOM 216 N VAL A 16 4.720 12.845 17.636 1.00 10.00 N ATOM 217 CA VAL A 16 5.063 13.140 19.017 1.00 10.00 C ATOM 218 C VAL A 16 5.499 11.850 19.715 1.00 10.00 C ATOM 219 O VAL A 16 6.164 11.895 20.749 1.00 10.00 O ATOM 220 CB VAL A 16 3.887 13.828 19.713 1.00 10.00 C ATOM 221 CG1 VAL A 16 4.246 14.205 21.151 1.00 10.00 C ATOM 222 CG2 VAL A 16 3.425 15.055 18.923 1.00 10.00 C ATOM 0 H VAL A 16 3.792 12.442 17.504 1.00 10.00 H new ATOM 0 HA VAL A 16 5.902 13.835 19.063 1.00 10.00 H new ATOM 0 HB VAL A 16 3.058 13.121 19.749 1.00 10.00 H new ATOM 0 HG11 VAL A 16 3.393 14.692 21.623 1.00 10.00 H new ATOM 0 HG12 VAL A 16 4.505 13.305 21.709 1.00 10.00 H new ATOM 0 HG13 VAL A 16 5.097 14.886 21.147 1.00 10.00 H new ATOM 0 HG21 VAL A 16 2.588 15.526 19.439 1.00 10.00 H new ATOM 0 HG22 VAL A 16 4.247 15.766 18.841 1.00 10.00 H new ATOM 0 HG23 VAL A 16 3.110 14.748 17.926 1.00 10.00 H new ATOM 232 N ALA A 17 5.107 10.732 19.123 1.00 10.00 N ATOM 233 CA ALA A 17 5.259 9.445 19.779 1.00 10.00 C ATOM 234 C ALA A 17 5.142 8.330 18.738 1.00 10.00 C ATOM 235 O ALA A 17 4.686 8.565 17.620 1.00 10.00 O ATOM 236 CB ALA A 17 4.219 9.313 20.893 1.00 10.00 C ATOM 0 H ALA A 17 4.684 10.691 18.196 1.00 10.00 H new ATOM 0 HA ALA A 17 6.243 9.364 20.241 1.00 10.00 H new ATOM 0 HB1 ALA A 17 4.333 8.347 21.385 1.00 10.00 H new ATOM 0 HB2 ALA A 17 4.363 10.111 21.622 1.00 10.00 H new ATOM 0 HB3 ALA A 17 3.218 9.387 20.467 1.00 10.00 H new ATOM 242 N ASN A 18 5.561 7.140 19.142 1.00 10.00 N ATOM 243 CA ASN A 18 5.694 6.035 18.207 1.00 10.00 C ATOM 244 C ASN A 18 4.335 5.752 17.563 1.00 10.00 C ATOM 245 O ASN A 18 4.261 5.422 16.380 1.00 10.00 O ATOM 246 CB ASN A 18 6.154 4.762 18.920 1.00 10.00 C ATOM 247 CG ASN A 18 7.556 4.938 19.505 1.00 10.00 C ATOM 248 OD1 ASN A 18 7.738 5.171 20.689 1.00 10.00 O ATOM 249 ND2 ASN A 18 8.535 4.814 18.613 1.00 10.00 N ATOM 0 H ASN A 18 5.813 6.916 20.105 1.00 10.00 H new ATOM 0 HA ASN A 18 6.434 6.315 17.457 1.00 10.00 H new ATOM 0 HB2 ASN A 18 5.452 4.513 19.716 1.00 10.00 H new ATOM 0 HB3 ASN A 18 6.151 3.927 18.219 1.00 10.00 H new ATOM 0 HD21 ASN A 18 9.507 4.914 18.905 1.00 10.00 H new ATOM 0 HD22 ASN A 18 8.314 4.619 17.637 1.00 10.00 H new ATOM 256 N ASN A 19 3.293 5.892 18.370 1.00 10.00 N ATOM 257 CA ASN A 19 1.973 5.431 17.974 1.00 10.00 C ATOM 258 C ASN A 19 1.231 6.569 17.269 1.00 10.00 C ATOM 259 O ASN A 19 0.197 6.345 16.641 1.00 10.00 O ATOM 260 CB ASN A 19 1.148 5.011 19.192 1.00 10.00 C ATOM 261 CG ASN A 19 1.036 6.156 20.200 1.00 10.00 C ATOM 262 OD1 ASN A 19 0.175 7.016 20.108 1.00 10.00 O ATOM 263 ND2 ASN A 19 1.951 6.121 21.163 1.00 10.00 N ATOM 0 H ASN A 19 3.336 6.318 19.296 1.00 10.00 H new ATOM 0 HA ASN A 19 2.099 4.575 17.312 1.00 10.00 H new ATOM 0 HB2 ASN A 19 0.152 4.704 18.873 1.00 10.00 H new ATOM 0 HB3 ASN A 19 1.610 4.146 19.668 1.00 10.00 H new ATOM 0 HD21 ASN A 19 1.961 6.843 21.884 1.00 10.00 H new ATOM 0 HD22 ASN A 19 2.644 5.373 21.181 1.00 10.00 H new ATOM 270 N TYR A 20 1.787 7.764 17.398 1.00 10.00 N ATOM 271 CA TYR A 20 1.057 8.971 17.049 1.00 10.00 C ATOM 272 C TYR A 20 0.759 9.018 15.549 1.00 10.00 C ATOM 273 O TYR A 20 -0.213 9.640 15.124 1.00 10.00 O ATOM 274 CB TYR A 20 1.975 10.140 17.411 1.00 10.00 C ATOM 275 CG TYR A 20 1.302 11.511 17.324 1.00 10.00 C ATOM 276 CD1 TYR A 20 1.325 12.217 16.139 1.00 10.00 C ATOM 277 CD2 TYR A 20 0.670 12.041 18.431 1.00 10.00 C ATOM 278 CE1 TYR A 20 0.692 13.507 16.057 1.00 10.00 C ATOM 279 CE2 TYR A 20 0.036 13.331 18.349 1.00 10.00 C ATOM 280 CZ TYR A 20 0.078 14.001 17.166 1.00 10.00 C ATOM 281 OH TYR A 20 -0.520 15.220 17.088 1.00 10.00 O ATOM 0 H TYR A 20 2.735 7.923 17.740 1.00 10.00 H new ATOM 0 HA TYR A 20 0.104 9.009 17.577 1.00 10.00 H new ATOM 0 HB2 TYR A 20 2.349 9.994 18.424 1.00 10.00 H new ATOM 0 HB3 TYR A 20 2.840 10.128 16.747 1.00 10.00 H new ATOM 0 HD1 TYR A 20 1.818 11.802 15.273 1.00 10.00 H new ATOM 0 HD2 TYR A 20 0.651 11.488 19.358 1.00 10.00 H new ATOM 0 HE1 TYR A 20 0.704 14.070 15.136 1.00 10.00 H new ATOM 0 HE2 TYR A 20 -0.462 13.757 19.208 1.00 10.00 H new ATOM 0 HH TYR A 20 -0.919 15.445 17.955 1.00 10.00 H new ATOM 291 N CYS A 21 1.614 8.351 14.788 1.00 10.00 N ATOM 292 CA CYS A 21 1.414 8.245 13.352 1.00 10.00 C ATOM 293 C CYS A 21 0.127 7.456 13.104 1.00 10.00 C ATOM 294 O CYS A 21 -0.684 7.833 12.260 1.00 10.00 O ATOM 295 CB CYS A 21 2.618 7.606 12.658 1.00 10.00 C ATOM 296 SG CYS A 21 2.349 7.170 10.901 1.00 10.00 S ATOM 0 H CYS A 21 2.447 7.878 15.138 1.00 10.00 H new ATOM 0 HA CYS A 21 1.317 9.242 12.921 1.00 10.00 H new ATOM 0 HB2 CYS A 21 3.463 8.292 12.722 1.00 10.00 H new ATOM 0 HB3 CYS A 21 2.897 6.704 13.203 1.00 10.00 H new ATOM 301 N ASP A 22 -0.021 6.374 13.855 1.00 10.00 N ATOM 302 CA ASP A 22 -0.955 5.325 13.482 1.00 10.00 C ATOM 303 C ASP A 22 -2.365 5.912 13.393 1.00 10.00 C ATOM 304 O ASP A 22 -3.071 5.695 12.409 1.00 10.00 O ATOM 305 CB ASP A 22 -0.973 4.207 14.525 1.00 10.00 C ATOM 306 CG ASP A 22 -1.670 2.920 14.082 1.00 10.00 C ATOM 307 OD1 ASP A 22 -1.941 2.719 12.888 1.00 10.00 O ATOM 308 OD2 ASP A 22 -1.942 2.091 15.033 1.00 10.00 O ATOM 0 H ASP A 22 0.491 6.201 14.720 1.00 10.00 H new ATOM 0 HA ASP A 22 -0.638 4.917 12.522 1.00 10.00 H new ATOM 0 HB2 ASP A 22 0.055 3.970 14.799 1.00 10.00 H new ATOM 0 HB3 ASP A 22 -1.465 4.578 15.424 1.00 10.00 H new ATOM 314 N ASN A 23 -2.733 6.644 14.434 1.00 10.00 N ATOM 315 CA ASN A 23 -4.068 7.211 14.516 1.00 10.00 C ATOM 316 C ASN A 23 -4.245 8.249 13.406 1.00 10.00 C ATOM 317 O ASN A 23 -5.354 8.458 12.917 1.00 10.00 O ATOM 318 CB ASN A 23 -4.288 7.912 15.858 1.00 10.00 C ATOM 319 CG ASN A 23 -3.119 8.841 16.190 1.00 10.00 C ATOM 320 OD1 ASN A 23 -2.128 8.446 16.782 1.00 10.00 O ATOM 321 ND2 ASN A 23 -3.288 10.094 15.776 1.00 10.00 N ATOM 0 H ASN A 23 -2.130 6.858 15.228 1.00 10.00 H new ATOM 0 HA ASN A 23 -4.786 6.398 14.412 1.00 10.00 H new ATOM 0 HB2 ASN A 23 -5.215 8.485 15.825 1.00 10.00 H new ATOM 0 HB3 ASN A 23 -4.401 7.168 16.647 1.00 10.00 H new ATOM 0 HD21 ASN A 23 -2.563 10.790 15.949 1.00 10.00 H new ATOM 0 HD22 ASN A 23 -4.142 10.358 15.286 1.00 10.00 H new ATOM 328 N GLN A 24 -3.135 8.873 13.040 1.00 10.00 N ATOM 329 CA GLN A 24 -3.169 9.960 12.077 1.00 10.00 C ATOM 330 C GLN A 24 -3.114 9.408 10.651 1.00 10.00 C ATOM 331 O GLN A 24 -3.483 10.096 9.700 1.00 10.00 O ATOM 332 CB GLN A 24 -2.030 10.950 12.326 1.00 10.00 C ATOM 333 CG GLN A 24 -2.298 12.283 11.625 1.00 10.00 C ATOM 334 CD GLN A 24 -1.367 13.377 12.152 1.00 10.00 C ATOM 335 OE1 GLN A 24 -0.481 13.139 12.956 1.00 10.00 O ATOM 336 NE2 GLN A 24 -1.617 14.585 11.656 1.00 10.00 N ATOM 0 H GLN A 24 -2.206 8.646 13.394 1.00 10.00 H new ATOM 0 HA GLN A 24 -4.108 10.499 12.201 1.00 10.00 H new ATOM 0 HB2 GLN A 24 -1.915 11.115 13.397 1.00 10.00 H new ATOM 0 HB3 GLN A 24 -1.092 10.528 11.966 1.00 10.00 H new ATOM 0 HG2 GLN A 24 -2.157 12.167 10.550 1.00 10.00 H new ATOM 0 HG3 GLN A 24 -3.336 12.578 11.781 1.00 10.00 H new ATOM 0 HE21 GLN A 24 -2.375 14.714 10.986 1.00 10.00 H new ATOM 0 HE22 GLN A 24 -1.051 15.382 11.946 1.00 10.00 H new ATOM 345 N CYS A 25 -2.650 8.171 10.547 1.00 10.00 N ATOM 346 CA CYS A 25 -2.622 7.488 9.265 1.00 10.00 C ATOM 347 C CYS A 25 -4.011 6.903 9.002 1.00 10.00 C ATOM 348 O CYS A 25 -4.563 7.071 7.915 1.00 10.00 O ATOM 349 CB CYS A 25 -1.533 6.414 9.220 1.00 10.00 C ATOM 350 SG CYS A 25 0.177 7.048 9.371 1.00 10.00 S ATOM 0 H CYS A 25 -2.291 7.624 11.330 1.00 10.00 H new ATOM 0 HA CYS A 25 -2.373 8.199 8.477 1.00 10.00 H new ATOM 0 HB2 CYS A 25 -1.713 5.700 10.024 1.00 10.00 H new ATOM 0 HB3 CYS A 25 -1.621 5.866 8.282 1.00 10.00 H new ATOM 355 N LYS A 26 -4.536 6.229 10.014 1.00 10.00 N ATOM 356 CA LYS A 26 -5.657 5.327 9.811 1.00 10.00 C ATOM 357 C LYS A 26 -6.923 6.144 9.548 1.00 10.00 C ATOM 358 O LYS A 26 -7.897 5.628 9.002 1.00 10.00 O ATOM 359 CB LYS A 26 -5.784 4.357 10.988 1.00 10.00 C ATOM 360 CG LYS A 26 -6.469 5.029 12.180 1.00 10.00 C ATOM 361 CD LYS A 26 -6.229 4.238 13.468 1.00 10.00 C ATOM 362 CE LYS A 26 -6.819 2.830 13.365 1.00 10.00 C ATOM 363 NZ LYS A 26 -8.274 2.896 13.107 1.00 10.00 N ATOM 0 H LYS A 26 -4.206 6.289 10.977 1.00 10.00 H new ATOM 0 HA LYS A 26 -5.491 4.705 8.931 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -6.356 3.481 10.682 1.00 10.00 H new ATOM 0 HB3 LYS A 26 -4.795 4.006 11.283 1.00 10.00 H new ATOM 0 HG2 LYS A 26 -6.090 6.044 12.297 1.00 10.00 H new ATOM 0 HG3 LYS A 26 -7.540 5.108 11.992 1.00 10.00 H new ATOM 0 HD2 LYS A 26 -5.159 4.174 13.666 1.00 10.00 H new ATOM 0 HD3 LYS A 26 -6.678 4.764 14.311 1.00 10.00 H new ATOM 0 HE2 LYS A 26 -6.326 2.280 12.563 1.00 10.00 H new ATOM 0 HE3 LYS A 26 -6.632 2.282 14.289 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 -8.704 1.970 13.306 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 -8.703 3.617 13.722 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 -8.439 3.147 12.111 1.00 10.00 H new ATOM 376 N MET A 27 -6.869 7.406 9.950 1.00 10.00 N ATOM 377 CA MET A 27 -8.059 8.238 9.963 1.00 10.00 C ATOM 378 C MET A 27 -8.605 8.438 8.548 1.00 10.00 C ATOM 379 O MET A 27 -9.782 8.751 8.371 1.00 10.00 O ATOM 380 CB MET A 27 -7.724 9.599 10.578 1.00 10.00 C ATOM 381 CG MET A 27 -6.895 10.448 9.612 1.00 10.00 C ATOM 382 SD MET A 27 -6.192 11.843 10.475 1.00 10.00 S ATOM 383 CE MET A 27 -5.451 12.714 9.104 1.00 10.00 C ATOM 0 H MET A 27 -6.019 7.872 10.269 1.00 10.00 H new ATOM 0 HA MET A 27 -8.822 7.737 10.559 1.00 10.00 H new ATOM 0 HB2 MET A 27 -8.645 10.124 10.831 1.00 10.00 H new ATOM 0 HB3 MET A 27 -7.173 9.456 11.507 1.00 10.00 H new ATOM 0 HG2 MET A 27 -6.101 9.844 9.173 1.00 10.00 H new ATOM 0 HG3 MET A 27 -7.522 10.796 8.791 1.00 10.00 H new ATOM 0 HE1 MET A 27 -4.949 13.609 9.470 1.00 10.00 H new ATOM 0 HE2 MET A 27 -4.725 12.067 8.611 1.00 10.00 H new ATOM 0 HE3 MET A 27 -6.226 12.998 8.392 1.00 10.00 H new ATOM 393 N LYS A 28 -7.724 8.250 7.576 1.00 10.00 N ATOM 394 CA LYS A 28 -8.138 8.232 6.184 1.00 10.00 C ATOM 395 C LYS A 28 -6.951 7.827 5.308 1.00 10.00 C ATOM 396 O LYS A 28 -7.100 7.028 4.385 1.00 10.00 O ATOM 397 CB LYS A 28 -8.762 9.573 5.793 1.00 10.00 C ATOM 398 CG LYS A 28 -7.802 10.729 6.084 1.00 10.00 C ATOM 399 CD LYS A 28 -7.267 11.338 4.787 1.00 10.00 C ATOM 400 CE LYS A 28 -8.306 12.261 4.145 1.00 10.00 C ATOM 401 NZ LYS A 28 -8.469 13.494 4.947 1.00 10.00 N ATOM 0 H LYS A 28 -6.725 8.109 7.726 1.00 10.00 H new ATOM 0 HA LYS A 28 -8.918 7.487 6.028 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -9.017 9.565 4.733 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -9.692 9.720 6.343 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -8.316 11.495 6.665 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -6.971 10.372 6.692 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -6.355 11.899 4.993 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -7.002 10.543 4.090 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -7.997 12.517 3.132 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -9.262 11.743 4.065 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -8.879 14.243 4.353 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -9.101 13.304 5.751 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -7.541 13.803 5.302 1.00 10.00 H new ATOM 414 N LYS A 29 -5.798 8.397 5.629 1.00 10.00 N ATOM 415 CA LYS A 29 -4.655 8.328 4.735 1.00 10.00 C ATOM 416 C LYS A 29 -4.410 6.870 4.339 1.00 10.00 C ATOM 417 O LYS A 29 -4.202 6.569 3.165 1.00 10.00 O ATOM 418 CB LYS A 29 -3.438 9.006 5.369 1.00 10.00 C ATOM 419 CG LYS A 29 -3.667 10.511 5.521 1.00 10.00 C ATOM 420 CD LYS A 29 -3.486 11.231 4.183 1.00 10.00 C ATOM 421 CE LYS A 29 -3.502 12.749 4.370 1.00 10.00 C ATOM 422 NZ LYS A 29 -3.626 13.432 3.063 1.00 10.00 N ATOM 0 H LYS A 29 -5.631 8.908 6.496 1.00 10.00 H new ATOM 0 HA LYS A 29 -4.856 8.879 3.816 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -3.239 8.564 6.345 1.00 10.00 H new ATOM 0 HB3 LYS A 29 -2.556 8.829 4.753 1.00 10.00 H new ATOM 0 HG2 LYS A 29 -4.672 10.693 5.903 1.00 10.00 H new ATOM 0 HG3 LYS A 29 -2.969 10.917 6.254 1.00 10.00 H new ATOM 0 HD2 LYS A 29 -2.544 10.927 3.727 1.00 10.00 H new ATOM 0 HD3 LYS A 29 -4.281 10.937 3.498 1.00 10.00 H new ATOM 0 HE2 LYS A 29 -4.333 13.033 5.015 1.00 10.00 H new ATOM 0 HE3 LYS A 29 -2.587 13.069 4.869 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 -4.096 14.350 3.194 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 -2.680 13.582 2.659 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 -4.190 12.844 2.416 1.00 10.00 H new ATOM 435 N ALA A 30 -4.443 6.004 5.341 1.00 10.00 N ATOM 436 CA ALA A 30 -3.980 4.638 5.166 1.00 10.00 C ATOM 437 C ALA A 30 -4.796 3.708 6.066 1.00 10.00 C ATOM 438 O ALA A 30 -5.781 4.130 6.670 1.00 10.00 O ATOM 439 CB ALA A 30 -2.480 4.565 5.458 1.00 10.00 C ATOM 0 H ALA A 30 -4.783 6.222 6.277 1.00 10.00 H new ATOM 0 HA ALA A 30 -4.127 4.312 4.136 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -2.133 3.540 5.327 1.00 10.00 H new ATOM 0 HB2 ALA A 30 -1.943 5.220 4.772 1.00 10.00 H new ATOM 0 HB3 ALA A 30 -2.293 4.883 6.484 1.00 10.00 H new ATOM 445 N SER A 31 -4.356 2.460 6.127 1.00 10.00 N ATOM 446 CA SER A 31 -4.987 1.486 7.002 1.00 10.00 C ATOM 447 C SER A 31 -4.445 1.634 8.425 1.00 10.00 C ATOM 448 O SER A 31 -5.177 1.440 9.394 1.00 10.00 O ATOM 449 CB SER A 31 -4.761 0.061 6.493 1.00 10.00 C ATOM 450 OG SER A 31 -5.214 -0.105 5.152 1.00 10.00 O ATOM 0 H SER A 31 -3.570 2.101 5.585 1.00 10.00 H new ATOM 0 HA SER A 31 -6.061 1.675 7.007 1.00 10.00 H new ATOM 0 HB2 SER A 31 -3.700 -0.180 6.550 1.00 10.00 H new ATOM 0 HB3 SER A 31 -5.283 -0.643 7.142 1.00 10.00 H new ATOM 0 HG SER A 31 -5.051 -1.027 4.863 1.00 10.00 H new ATOM 456 N GLY A 32 -3.168 1.975 8.506 1.00 10.00 N ATOM 457 CA GLY A 32 -2.525 2.168 9.794 1.00 10.00 C ATOM 458 C GLY A 32 -1.116 2.740 9.624 1.00 10.00 C ATOM 459 O GLY A 32 -0.822 3.387 8.620 1.00 10.00 O ATOM 0 H GLY A 32 -2.561 2.123 7.700 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -3.124 2.843 10.406 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -2.474 1.217 10.325 1.00 10.00 H new ATOM 463 N GLY A 33 -0.282 2.481 10.620 1.00 10.00 N ATOM 464 CA GLY A 33 1.154 2.623 10.450 1.00 10.00 C ATOM 465 C GLY A 33 1.828 3.003 11.770 1.00 10.00 C ATOM 466 O GLY A 33 1.228 2.874 12.837 1.00 10.00 O ATOM 0 H GLY A 33 -0.573 2.174 11.548 1.00 10.00 H new ATOM 0 HA2 GLY A 33 1.574 1.688 10.079 1.00 10.00 H new ATOM 0 HA3 GLY A 33 1.361 3.385 9.699 1.00 10.00 H new ATOM 470 N HIS A 34 3.065 3.463 11.656 1.00 10.00 N ATOM 471 CA HIS A 34 3.867 3.754 12.831 1.00 10.00 C ATOM 472 C HIS A 34 4.776 4.952 12.549 1.00 10.00 C ATOM 473 O HIS A 34 4.983 5.320 11.394 1.00 10.00 O ATOM 474 CB HIS A 34 4.643 2.514 13.280 1.00 10.00 C ATOM 475 CG HIS A 34 3.791 1.276 13.426 1.00 10.00 C ATOM 476 ND1 HIS A 34 3.515 0.427 12.369 1.00 10.00 N ATOM 477 CD2 HIS A 34 3.158 0.753 14.515 1.00 10.00 C ATOM 478 CE1 HIS A 34 2.749 -0.559 12.812 1.00 10.00 C ATOM 479 NE2 HIS A 34 2.529 -0.355 14.143 1.00 10.00 N ATOM 0 H HIS A 34 3.532 3.641 10.767 1.00 10.00 H new ATOM 0 HA HIS A 34 3.215 4.024 13.662 1.00 10.00 H new ATOM 0 HB2 HIS A 34 5.436 2.314 12.560 1.00 10.00 H new ATOM 0 HB3 HIS A 34 5.125 2.726 14.234 1.00 10.00 H new ATOM 0 HD1 HIS A 34 3.845 0.541 11.411 1.00 10.00 H new ATOM 0 HD2 HIS A 34 3.167 1.170 15.511 1.00 10.00 H new ATOM 0 HE1 HIS A 34 2.366 -1.380 12.223 1.00 10.00 H new ATOM 487 N CYS A 35 5.294 5.528 13.624 1.00 10.00 N ATOM 488 CA CYS A 35 6.250 6.615 13.504 1.00 10.00 C ATOM 489 C CYS A 35 7.660 6.022 13.546 1.00 10.00 C ATOM 490 O CYS A 35 8.142 5.632 14.609 1.00 10.00 O ATOM 491 CB CYS A 35 6.044 7.673 14.589 1.00 10.00 C ATOM 492 SG CYS A 35 7.245 9.053 14.555 1.00 10.00 S ATOM 0 H CYS A 35 5.069 5.262 14.583 1.00 10.00 H new ATOM 0 HA CYS A 35 6.101 7.129 12.555 1.00 10.00 H new ATOM 0 HB2 CYS A 35 5.039 8.083 14.491 1.00 10.00 H new ATOM 0 HB3 CYS A 35 6.097 7.188 15.564 1.00 10.00 H new ATOM 497 N TYR A 36 8.282 5.972 12.377 1.00 10.00 N ATOM 498 CA TYR A 36 9.611 5.396 12.261 1.00 10.00 C ATOM 499 C TYR A 36 10.659 6.483 12.009 1.00 10.00 C ATOM 500 O TYR A 36 10.463 7.355 11.163 1.00 10.00 O ATOM 501 CB TYR A 36 9.562 4.462 11.050 1.00 10.00 C ATOM 502 CG TYR A 36 10.762 3.519 10.942 1.00 10.00 C ATOM 503 CD1 TYR A 36 11.919 3.943 10.321 1.00 10.00 C ATOM 504 CD2 TYR A 36 10.687 2.245 11.467 1.00 10.00 C ATOM 505 CE1 TYR A 36 13.048 3.055 10.220 1.00 10.00 C ATOM 506 CE2 TYR A 36 11.816 1.357 11.366 1.00 10.00 C ATOM 507 CZ TYR A 36 12.941 1.806 10.747 1.00 10.00 C ATOM 508 OH TYR A 36 14.008 0.968 10.651 1.00 10.00 O ATOM 0 H TYR A 36 7.890 6.321 11.502 1.00 10.00 H new ATOM 0 HA TYR A 36 9.886 4.876 13.179 1.00 10.00 H new ATOM 0 HB2 TYR A 36 8.649 3.868 11.099 1.00 10.00 H new ATOM 0 HB3 TYR A 36 9.503 5.063 10.143 1.00 10.00 H new ATOM 0 HD1 TYR A 36 11.978 4.940 9.911 1.00 10.00 H new ATOM 0 HD2 TYR A 36 9.781 1.914 11.954 1.00 10.00 H new ATOM 0 HE1 TYR A 36 13.960 3.374 9.736 1.00 10.00 H new ATOM 0 HE2 TYR A 36 11.771 0.357 11.772 1.00 10.00 H new ATOM 0 HH TYR A 36 13.789 0.110 11.072 1.00 10.00 H new ATOM 518 N ALA A 37 11.748 6.395 12.758 1.00 10.00 N ATOM 519 CA ALA A 37 12.815 7.375 12.645 1.00 10.00 C ATOM 520 C ALA A 37 12.207 8.776 12.558 1.00 10.00 C ATOM 521 O ALA A 37 12.564 9.558 11.677 1.00 10.00 O ATOM 522 CB ALA A 37 13.689 7.042 11.434 1.00 10.00 C ATOM 0 H ALA A 37 11.915 5.660 13.446 1.00 10.00 H new ATOM 0 HA ALA A 37 13.456 7.348 13.526 1.00 10.00 H new ATOM 0 HB1 ALA A 37 14.489 7.777 11.350 1.00 10.00 H new ATOM 0 HB2 ALA A 37 14.120 6.049 11.559 1.00 10.00 H new ATOM 0 HB3 ALA A 37 13.081 7.062 10.530 1.00 10.00 H new ATOM 528 N MET A 38 11.299 9.052 13.483 1.00 10.00 N ATOM 529 CA MET A 38 10.714 10.378 13.586 1.00 10.00 C ATOM 530 C MET A 38 10.088 10.805 12.257 1.00 10.00 C ATOM 531 O MET A 38 10.223 11.956 11.845 1.00 10.00 O ATOM 532 CB MET A 38 11.796 11.383 13.988 1.00 10.00 C ATOM 533 CG MET A 38 11.182 12.599 14.684 1.00 10.00 C ATOM 534 SD MET A 38 12.440 13.828 14.989 1.00 10.00 S ATOM 535 CE MET A 38 12.435 14.675 13.418 1.00 10.00 C ATOM 0 H MET A 38 10.954 8.380 14.168 1.00 10.00 H new ATOM 0 HA MET A 38 9.930 10.352 14.343 1.00 10.00 H new ATOM 0 HB2 MET A 38 12.514 10.903 14.653 1.00 10.00 H new ATOM 0 HB3 MET A 38 12.346 11.705 13.103 1.00 10.00 H new ATOM 0 HG2 MET A 38 10.391 13.022 14.064 1.00 10.00 H new ATOM 0 HG3 MET A 38 10.722 12.296 15.625 1.00 10.00 H new ATOM 0 HE1 MET A 38 13.170 15.480 13.436 1.00 10.00 H new ATOM 0 HE2 MET A 38 12.687 13.971 12.625 1.00 10.00 H new ATOM 0 HE3 MET A 38 11.445 15.092 13.233 1.00 10.00 H new ATOM 545 N SER A 39 9.416 9.856 11.624 1.00 10.00 N ATOM 546 CA SER A 39 8.589 10.166 10.470 1.00 10.00 C ATOM 547 C SER A 39 7.439 9.163 10.365 1.00 10.00 C ATOM 548 O SER A 39 7.624 7.973 10.614 1.00 10.00 O ATOM 549 CB SER A 39 9.416 10.162 9.183 1.00 10.00 C ATOM 550 OG SER A 39 10.521 11.058 9.255 1.00 10.00 O ATOM 0 H SER A 39 9.427 8.871 11.888 1.00 10.00 H new ATOM 0 HA SER A 39 8.178 11.167 10.603 1.00 10.00 H new ATOM 0 HB2 SER A 39 9.780 9.153 8.989 1.00 10.00 H new ATOM 0 HB3 SER A 39 8.780 10.438 8.342 1.00 10.00 H new ATOM 0 HG SER A 39 10.469 11.576 10.085 1.00 10.00 H new ATOM 556 N CYS A 40 6.276 9.681 9.997 1.00 10.00 N ATOM 557 CA CYS A 40 5.063 8.880 10.007 1.00 10.00 C ATOM 558 C CYS A 40 5.130 7.893 8.840 1.00 10.00 C ATOM 559 O CYS A 40 4.825 8.248 7.703 1.00 10.00 O ATOM 560 CB CYS A 40 3.809 9.754 9.944 1.00 10.00 C ATOM 561 SG CYS A 40 2.234 8.828 9.841 1.00 10.00 S ATOM 0 H CYS A 40 6.148 10.645 9.690 1.00 10.00 H new ATOM 0 HA CYS A 40 4.995 8.328 10.945 1.00 10.00 H new ATOM 0 HB2 CYS A 40 3.783 10.391 10.828 1.00 10.00 H new ATOM 0 HB3 CYS A 40 3.885 10.412 9.078 1.00 10.00 H new ATOM 566 N TYR A 41 5.531 6.672 9.163 1.00 10.00 N ATOM 567 CA TYR A 41 5.492 5.591 8.193 1.00 10.00 C ATOM 568 C TYR A 41 4.095 4.969 8.121 1.00 10.00 C ATOM 569 O TYR A 41 3.781 4.052 8.877 1.00 10.00 O ATOM 570 CB TYR A 41 6.480 4.537 8.695 1.00 10.00 C ATOM 571 CG TYR A 41 6.618 3.323 7.774 1.00 10.00 C ATOM 572 CD1 TYR A 41 7.187 3.466 6.525 1.00 10.00 C ATOM 573 CD2 TYR A 41 6.173 2.085 8.192 1.00 10.00 C ATOM 574 CE1 TYR A 41 7.316 2.324 5.658 1.00 10.00 C ATOM 575 CE2 TYR A 41 6.303 0.943 7.325 1.00 10.00 C ATOM 576 CZ TYR A 41 6.868 1.118 6.101 1.00 10.00 C ATOM 577 OH TYR A 41 6.990 0.039 5.282 1.00 10.00 O ATOM 0 H TYR A 41 5.884 6.408 10.083 1.00 10.00 H new ATOM 0 HA TYR A 41 5.743 5.959 7.198 1.00 10.00 H new ATOM 0 HB2 TYR A 41 7.459 5.001 8.817 1.00 10.00 H new ATOM 0 HB3 TYR A 41 6.163 4.198 9.681 1.00 10.00 H new ATOM 0 HD1 TYR A 41 7.535 4.434 6.198 1.00 10.00 H new ATOM 0 HD2 TYR A 41 5.727 1.973 9.169 1.00 10.00 H new ATOM 0 HE1 TYR A 41 7.759 2.422 4.678 1.00 10.00 H new ATOM 0 HE2 TYR A 41 5.959 -0.031 7.640 1.00 10.00 H new ATOM 0 HH TYR A 41 6.629 -0.754 5.730 1.00 10.00 H new ATOM 587 N CYS A 42 3.295 5.494 7.204 1.00 10.00 N ATOM 588 CA CYS A 42 1.910 5.072 7.090 1.00 10.00 C ATOM 589 C CYS A 42 1.864 3.797 6.245 1.00 10.00 C ATOM 590 O CYS A 42 2.741 3.568 5.413 1.00 10.00 O ATOM 591 CB CYS A 42 1.028 6.177 6.504 1.00 10.00 C ATOM 592 SG CYS A 42 0.797 7.631 7.590 1.00 10.00 S ATOM 0 H CYS A 42 3.580 6.208 6.533 1.00 10.00 H new ATOM 0 HA CYS A 42 1.508 4.864 8.082 1.00 10.00 H new ATOM 0 HB2 CYS A 42 1.465 6.510 5.562 1.00 10.00 H new ATOM 0 HB3 CYS A 42 0.050 5.756 6.271 1.00 10.00 H new ATOM 597 N GLU A 43 0.834 3.001 6.488 1.00 10.00 N ATOM 598 CA GLU A 43 0.788 1.651 5.951 1.00 10.00 C ATOM 599 C GLU A 43 -0.611 1.341 5.416 1.00 10.00 C ATOM 600 O GLU A 43 -1.607 1.564 6.103 1.00 10.00 O ATOM 601 CB GLU A 43 1.211 0.627 7.006 1.00 10.00 C ATOM 602 CG GLU A 43 2.692 0.783 7.358 1.00 10.00 C ATOM 603 CD GLU A 43 3.126 -0.270 8.381 1.00 10.00 C ATOM 604 OE1 GLU A 43 3.460 0.077 9.523 1.00 10.00 O ATOM 605 OE2 GLU A 43 3.107 -1.486 7.953 1.00 10.00 O ATOM 0 H GLU A 43 0.024 3.264 7.050 1.00 10.00 H new ATOM 0 HA GLU A 43 1.495 1.585 5.124 1.00 10.00 H new ATOM 0 HB2 GLU A 43 0.605 0.752 7.903 1.00 10.00 H new ATOM 0 HB3 GLU A 43 1.026 -0.381 6.635 1.00 10.00 H new ATOM 0 HG2 GLU A 43 3.296 0.689 6.455 1.00 10.00 H new ATOM 0 HG3 GLU A 43 2.871 1.781 7.759 1.00 10.00 H new ATOM 613 N GLY A 44 -0.642 0.830 4.193 1.00 10.00 N ATOM 614 CA GLY A 44 -1.905 0.573 3.522 1.00 10.00 C ATOM 615 C GLY A 44 -2.346 1.786 2.701 1.00 10.00 C ATOM 616 O GLY A 44 -3.531 2.117 2.662 1.00 10.00 O ATOM 0 H GLY A 44 0.187 0.587 3.650 1.00 10.00 H new ATOM 0 HA2 GLY A 44 -1.805 -0.295 2.870 1.00 10.00 H new ATOM 0 HA3 GLY A 44 -2.670 0.331 4.260 1.00 10.00 H new ATOM 620 N LEU A 45 -1.370 2.417 2.064 1.00 10.00 N ATOM 621 CA LEU A 45 -1.639 3.603 1.269 1.00 10.00 C ATOM 622 C LEU A 45 -2.190 3.184 -0.095 1.00 10.00 C ATOM 623 O LEU A 45 -1.922 2.078 -0.563 1.00 10.00 O ATOM 624 CB LEU A 45 -0.392 4.485 1.184 1.00 10.00 C ATOM 625 CG LEU A 45 0.099 5.083 2.504 1.00 10.00 C ATOM 626 CD1 LEU A 45 1.617 5.270 2.491 1.00 10.00 C ATOM 627 CD2 LEU A 45 -0.636 6.387 2.822 1.00 10.00 C ATOM 0 H LEU A 45 -0.392 2.129 2.082 1.00 10.00 H new ATOM 0 HA LEU A 45 -2.403 4.216 1.747 1.00 10.00 H new ATOM 0 HB2 LEU A 45 0.417 3.895 0.752 1.00 10.00 H new ATOM 0 HB3 LEU A 45 -0.596 5.302 0.492 1.00 10.00 H new ATOM 0 HG LEU A 45 -0.132 4.379 3.304 1.00 10.00 H new ATOM 0 HD11 LEU A 45 1.939 5.696 3.441 1.00 10.00 H new ATOM 0 HD12 LEU A 45 2.101 4.305 2.344 1.00 10.00 H new ATOM 0 HD13 LEU A 45 1.894 5.942 1.679 1.00 10.00 H new ATOM 0 HD21 LEU A 45 -0.268 6.791 3.765 1.00 10.00 H new ATOM 0 HD22 LEU A 45 -0.459 7.108 2.024 1.00 10.00 H new ATOM 0 HD23 LEU A 45 -1.705 6.191 2.903 1.00 10.00 H new ATOM 639 N PRO A 46 -2.970 4.112 -0.710 1.00 10.00 N ATOM 640 CA PRO A 46 -3.366 3.956 -2.099 1.00 10.00 C ATOM 641 C PRO A 46 -2.198 4.263 -3.040 1.00 10.00 C ATOM 642 O PRO A 46 -1.270 4.980 -2.669 1.00 10.00 O ATOM 643 CB PRO A 46 -4.541 4.902 -2.283 1.00 10.00 C ATOM 644 CG PRO A 46 -4.466 5.889 -1.129 1.00 10.00 C ATOM 645 CD PRO A 46 -3.495 5.331 -0.101 1.00 10.00 C ATOM 0 HA PRO A 46 -3.654 2.933 -2.341 1.00 10.00 H new ATOM 0 HB2 PRO A 46 -4.481 5.417 -3.242 1.00 10.00 H new ATOM 0 HB3 PRO A 46 -5.486 4.358 -2.271 1.00 10.00 H new ATOM 0 HG2 PRO A 46 -4.130 6.864 -1.482 1.00 10.00 H new ATOM 0 HG3 PRO A 46 -5.451 6.033 -0.685 1.00 10.00 H new ATOM 0 HD2 PRO A 46 -2.697 6.041 0.116 1.00 10.00 H new ATOM 0 HD3 PRO A 46 -3.997 5.118 0.843 1.00 10.00 H new ATOM 653 N GLU A 47 -2.283 3.706 -4.239 1.00 10.00 N ATOM 654 CA GLU A 47 -1.126 3.634 -5.114 1.00 10.00 C ATOM 655 C GLU A 47 -1.017 4.908 -5.955 1.00 10.00 C ATOM 656 O GLU A 47 -0.058 5.081 -6.705 1.00 10.00 O ATOM 657 CB GLU A 47 -1.189 2.392 -6.005 1.00 10.00 C ATOM 658 CG GLU A 47 -1.130 1.113 -5.168 1.00 10.00 C ATOM 659 CD GLU A 47 -1.177 -0.129 -6.060 1.00 10.00 C ATOM 660 OE1 GLU A 47 -2.239 -0.754 -6.197 1.00 10.00 O ATOM 661 OE2 GLU A 47 -0.058 -0.438 -6.624 1.00 10.00 O ATOM 0 H GLU A 47 -3.136 3.300 -4.625 1.00 10.00 H new ATOM 0 HA GLU A 47 -0.232 3.552 -4.496 1.00 10.00 H new ATOM 0 HB2 GLU A 47 -2.109 2.406 -6.590 1.00 10.00 H new ATOM 0 HB3 GLU A 47 -0.361 2.406 -6.713 1.00 10.00 H new ATOM 0 HG2 GLU A 47 -0.216 1.104 -4.575 1.00 10.00 H new ATOM 0 HG3 GLU A 47 -1.965 1.094 -4.468 1.00 10.00 H new ATOM 669 N ASN A 48 -2.014 5.767 -5.802 1.00 10.00 N ATOM 670 CA ASN A 48 -2.056 7.007 -6.558 1.00 10.00 C ATOM 671 C ASN A 48 -1.031 7.985 -5.982 1.00 10.00 C ATOM 672 O ASN A 48 -0.529 8.854 -6.694 1.00 10.00 O ATOM 673 CB ASN A 48 -3.436 7.661 -6.467 1.00 10.00 C ATOM 674 CG ASN A 48 -3.767 8.045 -5.023 1.00 10.00 C ATOM 675 OD1 ASN A 48 -3.367 7.393 -4.073 1.00 10.00 O ATOM 676 ND2 ASN A 48 -4.517 9.138 -4.913 1.00 10.00 N ATOM 0 H ASN A 48 -2.799 5.629 -5.166 1.00 10.00 H new ATOM 0 HA ASN A 48 -1.835 6.774 -7.600 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -3.464 8.549 -7.099 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.193 6.975 -6.847 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -4.791 9.478 -3.991 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.818 9.637 -5.750 1.00 10.00 H new ATOM 683 N ALA A 49 -0.749 7.811 -4.699 1.00 10.00 N ATOM 684 CA ALA A 49 0.177 8.692 -4.010 1.00 10.00 C ATOM 685 C ALA A 49 1.605 8.175 -4.201 1.00 10.00 C ATOM 686 O ALA A 49 1.836 6.967 -4.203 1.00 10.00 O ATOM 687 CB ALA A 49 -0.214 8.791 -2.534 1.00 10.00 C ATOM 0 H ALA A 49 -1.146 7.072 -4.119 1.00 10.00 H new ATOM 0 HA ALA A 49 0.132 9.698 -4.428 1.00 10.00 H new ATOM 0 HB1 ALA A 49 0.481 9.452 -2.017 1.00 10.00 H new ATOM 0 HB2 ALA A 49 -1.225 9.191 -2.451 1.00 10.00 H new ATOM 0 HB3 ALA A 49 -0.178 7.800 -2.081 1.00 10.00 H new ATOM 693 N LYS A 50 2.525 9.116 -4.357 1.00 10.00 N ATOM 694 CA LYS A 50 3.940 8.787 -4.350 1.00 10.00 C ATOM 695 C LYS A 50 4.488 8.944 -2.930 1.00 10.00 C ATOM 696 O LYS A 50 4.012 9.783 -2.167 1.00 10.00 O ATOM 697 CB LYS A 50 4.688 9.618 -5.394 1.00 10.00 C ATOM 698 CG LYS A 50 4.940 11.039 -4.886 1.00 10.00 C ATOM 699 CD LYS A 50 6.351 11.173 -4.309 1.00 10.00 C ATOM 700 CE LYS A 50 6.648 12.623 -3.919 1.00 10.00 C ATOM 701 NZ LYS A 50 7.850 12.692 -3.058 1.00 10.00 N ATOM 0 H LYS A 50 2.318 10.106 -4.489 1.00 10.00 H new ATOM 0 HA LYS A 50 4.091 7.746 -4.637 1.00 10.00 H new ATOM 0 HB2 LYS A 50 5.638 9.139 -5.632 1.00 10.00 H new ATOM 0 HB3 LYS A 50 4.109 9.655 -6.317 1.00 10.00 H new ATOM 0 HG2 LYS A 50 4.808 11.749 -5.702 1.00 10.00 H new ATOM 0 HG3 LYS A 50 4.205 11.291 -4.122 1.00 10.00 H new ATOM 0 HD2 LYS A 50 6.453 10.529 -3.435 1.00 10.00 H new ATOM 0 HD3 LYS A 50 7.082 10.833 -5.043 1.00 10.00 H new ATOM 0 HE2 LYS A 50 6.801 13.223 -4.816 1.00 10.00 H new ATOM 0 HE3 LYS A 50 5.792 13.047 -3.394 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 8.038 13.683 -2.802 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 7.690 12.136 -2.194 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 8.668 12.306 -3.572 1.00 10.00 H new ATOM 714 N VAL A 51 5.482 8.125 -2.620 1.00 10.00 N ATOM 715 CA VAL A 51 6.000 8.056 -1.264 1.00 10.00 C ATOM 716 C VAL A 51 7.528 8.017 -1.308 1.00 10.00 C ATOM 717 O VAL A 51 8.114 7.638 -2.321 1.00 10.00 O ATOM 718 CB VAL A 51 5.392 6.858 -0.531 1.00 10.00 C ATOM 719 CG1 VAL A 51 3.865 6.874 -0.627 1.00 10.00 C ATOM 720 CG2 VAL A 51 5.962 5.543 -1.065 1.00 10.00 C ATOM 0 H VAL A 51 5.943 7.503 -3.285 1.00 10.00 H new ATOM 0 HA VAL A 51 5.713 8.944 -0.700 1.00 10.00 H new ATOM 0 HB VAL A 51 5.662 6.937 0.522 1.00 10.00 H new ATOM 0 HG11 VAL A 51 3.458 6.012 -0.098 1.00 10.00 H new ATOM 0 HG12 VAL A 51 3.482 7.790 -0.177 1.00 10.00 H new ATOM 0 HG13 VAL A 51 3.566 6.831 -1.674 1.00 10.00 H new ATOM 0 HG21 VAL A 51 5.514 4.707 -0.528 1.00 10.00 H new ATOM 0 HG22 VAL A 51 5.737 5.454 -2.128 1.00 10.00 H new ATOM 0 HG23 VAL A 51 7.042 5.530 -0.921 1.00 10.00 H new ATOM 730 N SER A 52 8.131 8.415 -0.197 1.00 10.00 N ATOM 731 CA SER A 52 9.508 8.044 0.082 1.00 10.00 C ATOM 732 C SER A 52 9.555 6.666 0.745 1.00 10.00 C ATOM 733 O SER A 52 8.561 6.210 1.307 1.00 10.00 O ATOM 734 CB SER A 52 10.189 9.085 0.972 1.00 10.00 C ATOM 735 OG SER A 52 11.272 8.528 1.713 1.00 10.00 O ATOM 0 H SER A 52 7.691 8.991 0.521 1.00 10.00 H new ATOM 0 HA SER A 52 10.049 8.004 -0.863 1.00 10.00 H new ATOM 0 HB2 SER A 52 10.556 9.905 0.355 1.00 10.00 H new ATOM 0 HB3 SER A 52 9.457 9.507 1.661 1.00 10.00 H new ATOM 0 HG SER A 52 12.054 9.114 1.640 1.00 10.00 H new ATOM 741 N ASP A 53 10.720 6.042 0.657 1.00 10.00 N ATOM 742 CA ASP A 53 10.888 4.694 1.173 1.00 10.00 C ATOM 743 C ASP A 53 12.316 4.526 1.694 1.00 10.00 C ATOM 744 O ASP A 53 12.911 3.459 1.554 1.00 10.00 O ATOM 745 CB ASP A 53 10.659 3.652 0.076 1.00 10.00 C ATOM 746 CG ASP A 53 11.595 3.766 -1.129 1.00 10.00 C ATOM 747 OD1 ASP A 53 12.205 4.819 -1.367 1.00 10.00 O ATOM 748 OD2 ASP A 53 11.687 2.700 -1.850 1.00 10.00 O ATOM 0 H ASP A 53 11.557 6.445 0.236 1.00 10.00 H new ATOM 0 HA ASP A 53 10.160 4.545 1.970 1.00 10.00 H new ATOM 0 HB2 ASP A 53 10.770 2.659 0.511 1.00 10.00 H new ATOM 0 HB3 ASP A 53 9.630 3.734 -0.273 1.00 10.00 H new ATOM 754 N SER A 54 12.827 5.597 2.285 1.00 10.00 N ATOM 755 CA SER A 54 14.184 5.591 2.803 1.00 10.00 C ATOM 756 C SER A 54 14.370 6.738 3.798 1.00 10.00 C ATOM 757 O SER A 54 15.110 7.683 3.529 1.00 10.00 O ATOM 758 CB SER A 54 15.207 5.699 1.671 1.00 10.00 C ATOM 759 OG SER A 54 14.872 6.730 0.746 1.00 10.00 O ATOM 0 H SER A 54 12.325 6.475 2.416 1.00 10.00 H new ATOM 0 HA SER A 54 14.349 4.643 3.316 1.00 10.00 H new ATOM 0 HB2 SER A 54 16.193 5.895 2.091 1.00 10.00 H new ATOM 0 HB3 SER A 54 15.268 4.746 1.145 1.00 10.00 H new ATOM 0 HG SER A 54 14.502 7.497 1.231 1.00 10.00 H new ATOM 765 N ALA A 55 13.685 6.618 4.926 1.00 10.00 N ATOM 766 CA ALA A 55 13.905 7.530 6.036 1.00 10.00 C ATOM 767 C ALA A 55 13.711 8.969 5.553 1.00 10.00 C ATOM 768 O ALA A 55 14.594 9.809 5.723 1.00 10.00 O ATOM 769 CB ALA A 55 15.299 7.295 6.622 1.00 10.00 C ATOM 0 H ALA A 55 12.977 5.903 5.095 1.00 10.00 H new ATOM 0 HA ALA A 55 13.182 7.348 6.831 1.00 10.00 H new ATOM 0 HB1 ALA A 55 15.464 7.979 7.454 1.00 10.00 H new ATOM 0 HB2 ALA A 55 15.376 6.267 6.976 1.00 10.00 H new ATOM 0 HB3 ALA A 55 16.051 7.471 5.853 1.00 10.00 H new ATOM 775 N THR A 56 12.550 9.210 4.962 1.00 10.00 N ATOM 776 CA THR A 56 12.098 10.570 4.727 1.00 10.00 C ATOM 777 C THR A 56 12.845 11.185 3.543 1.00 10.00 C ATOM 778 O THR A 56 12.259 11.415 2.486 1.00 10.00 O ATOM 779 CB THR A 56 12.270 11.357 6.029 1.00 10.00 C ATOM 780 OG1 THR A 56 11.725 10.499 7.027 1.00 10.00 O ATOM 781 CG2 THR A 56 11.383 12.602 6.082 1.00 10.00 C ATOM 0 H THR A 56 11.909 8.486 4.639 1.00 10.00 H new ATOM 0 HA THR A 56 11.044 10.593 4.452 1.00 10.00 H new ATOM 0 HB THR A 56 13.314 11.651 6.141 1.00 10.00 H new ATOM 0 HG1 THR A 56 11.396 11.037 7.777 1.00 10.00 H new ATOM 0 HG21 THR A 56 11.544 13.123 7.026 1.00 10.00 H new ATOM 0 HG22 THR A 56 11.636 13.264 5.254 1.00 10.00 H new ATOM 0 HG23 THR A 56 10.337 12.307 6.004 1.00 10.00 H new ATOM 789 N ASN A 57 14.129 11.433 3.758 1.00 10.00 N ATOM 790 CA ASN A 57 14.957 12.041 2.730 1.00 10.00 C ATOM 791 C ASN A 57 14.151 13.121 2.006 1.00 10.00 C ATOM 792 O ASN A 57 14.255 13.267 0.789 1.00 10.00 O ATOM 793 CB ASN A 57 15.398 11.005 1.694 1.00 10.00 C ATOM 794 CG ASN A 57 14.189 10.369 1.006 1.00 10.00 C ATOM 795 OD1 ASN A 57 13.801 9.219 1.550 1.00 10.00 O flip ATOM 796 ND2 ASN A 57 13.645 10.887 0.045 1.00 10.00 N flip ATOM 0 H ASN A 57 14.616 11.224 4.629 1.00 10.00 H new ATOM 0 HA ASN A 57 15.838 12.465 3.213 1.00 10.00 H new ATOM 0 HB2 ASN A 57 16.037 11.479 0.949 1.00 10.00 H new ATOM 0 HB3 ASN A 57 15.994 10.231 2.179 1.00 10.00 H new ATOM 0 HD21 ASN A 57 13.994 11.772 -0.323 1.00 10.00 H new ATOM 0 HD22 ASN A 57 12.841 10.435 -0.391 1.00 10.00 H new ATOM 803 N ILE A 58 13.365 13.851 2.785 1.00 10.00 N ATOM 804 CA ILE A 58 12.552 14.921 2.234 1.00 10.00 C ATOM 805 C ILE A 58 12.553 16.106 3.202 1.00 10.00 C ATOM 806 O ILE A 58 12.512 15.920 4.417 1.00 10.00 O ATOM 807 CB ILE A 58 11.151 14.408 1.893 1.00 10.00 C ATOM 808 CG1 ILE A 58 11.132 13.742 0.515 1.00 10.00 C ATOM 809 CG2 ILE A 58 10.115 15.529 2.002 1.00 10.00 C ATOM 810 CD1 ILE A 58 9.793 13.047 0.261 1.00 10.00 C ATOM 0 H ILE A 58 13.275 13.722 3.793 1.00 10.00 H new ATOM 0 HA ILE A 58 12.975 15.275 1.294 1.00 10.00 H new ATOM 0 HB ILE A 58 10.879 13.646 2.623 1.00 10.00 H new ATOM 0 HG12 ILE A 58 11.310 14.491 -0.257 1.00 10.00 H new ATOM 0 HG13 ILE A 58 11.942 13.015 0.447 1.00 10.00 H new ATOM 0 HG21 ILE A 58 9.128 15.138 1.755 1.00 10.00 H new ATOM 0 HG22 ILE A 58 10.106 15.919 3.020 1.00 10.00 H new ATOM 0 HG23 ILE A 58 10.372 16.330 1.309 1.00 10.00 H new ATOM 0 HD11 ILE A 58 9.806 12.582 -0.725 1.00 10.00 H new ATOM 0 HD12 ILE A 58 9.630 12.283 1.021 1.00 10.00 H new ATOM 0 HD13 ILE A 58 8.988 13.781 0.306 1.00 10.00 H new