USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 728 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.0051) USER MOD Single : A 5 LYS NZ :NH3+ 146:sc= -2.68 (180deg=-5.02!) USER MOD Single : A 6 ASN : amide:sc= -6.79! C(o=-6.8!,f=-13!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0893 USER MOD Single : A 12 ASN : amide:sc= -1.83! C(o=-1.8!,f=-2.4!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.543 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -158:sc= -0.0475 (180deg=-0.335) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 30:sc= -0.694 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.159 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0278) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 1.63 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -8:sc= -0.107 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -2.34 K(o=-2.3,f=-6.7!) USER MOD Single : A 69 ASN : amide:sc= -0.0601 X(o=-0.06,f=-0.21) USER MOD Single : A 71 SER OG : rot 66:sc= -0.347 USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 33:sc= 0.899 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 137:sc= -2.53! USER MOD Single : A 83 HIS : no HD1:sc= -0.984 K(o=-0.98,f=-1.9) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -129:sc= 0.7 (180deg=0.00104) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.292 K(o=-0.29,f=-3.4!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -5.08! C(o=-5.1!,f=-5.8!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.330 0.000 0.000 1.00 13.00 N ATOM 2 CA GLY A 1 2.071 0.001 -1.247 1.00 45.03 C ATOM 3 C GLY A 1 2.951 -1.224 -1.400 1.00 74.40 C ATOM 4 O GLY A 1 2.478 -2.354 -1.282 1.00 52.04 O ATOM 0 H1 GLY A 1 0.744 0.857 0.056 1.00 13.00 H new ATOM 0 H2 GLY A 1 0.719 -0.840 0.040 1.00 13.00 H new ATOM 0 H3 GLY A 1 1.995 -0.018 0.799 1.00 13.00 H new ATOM 0 HA2 GLY A 1 1.371 0.048 -2.082 1.00 45.03 H new ATOM 0 HA3 GLY A 1 2.689 0.897 -1.298 1.00 45.03 H new ATOM 8 N ASN A 2 4.234 -1.001 -1.665 1.00 12.03 N ATOM 9 CA ASN A 2 5.181 -2.097 -1.836 1.00 52.32 C ATOM 10 C ASN A 2 6.171 -2.147 -0.677 1.00 12.35 C ATOM 11 O ASN A 2 6.086 -1.354 0.261 1.00 15.24 O ATOM 12 CB ASN A 2 5.935 -1.944 -3.159 1.00 33.41 C ATOM 13 CG ASN A 2 5.066 -2.266 -4.360 1.00 1.52 C ATOM 14 OD1 ASN A 2 4.932 -1.456 -5.277 1.00 51.42 O ATOM 15 ND2 ASN A 2 4.471 -3.453 -4.359 1.00 10.32 N ATOM 0 H ASN A 2 4.642 -0.072 -1.766 1.00 12.03 H new ATOM 0 HA ASN A 2 4.619 -3.031 -1.851 1.00 52.32 H new ATOM 0 HB2 ASN A 2 6.307 -0.923 -3.246 1.00 33.41 H new ATOM 0 HB3 ASN A 2 6.805 -2.601 -3.157 1.00 33.41 H new ATOM 0 HD21 ASN A 2 3.874 -3.725 -5.140 1.00 10.32 H new ATOM 0 HD22 ASN A 2 4.611 -4.093 -3.577 1.00 10.32 H new ATOM 22 N VAL A 3 7.111 -3.084 -0.748 1.00 13.12 N ATOM 23 CA VAL A 3 8.119 -3.237 0.295 1.00 54.14 C ATOM 24 C VAL A 3 9.516 -2.958 -0.247 1.00 1.40 C ATOM 25 O VAL A 3 10.066 -3.748 -1.015 1.00 73.13 O ATOM 26 CB VAL A 3 8.088 -4.652 0.901 1.00 24.32 C ATOM 27 CG1 VAL A 3 6.965 -4.773 1.920 1.00 61.14 C ATOM 28 CG2 VAL A 3 7.941 -5.698 -0.194 1.00 11.20 C ATOM 0 H VAL A 3 7.196 -3.749 -1.517 1.00 13.12 H new ATOM 0 HA VAL A 3 7.883 -2.511 1.073 1.00 54.14 H new ATOM 0 HB VAL A 3 9.033 -4.828 1.415 1.00 24.32 H new ATOM 0 HG11 VAL A 3 6.959 -5.780 2.337 1.00 61.14 H new ATOM 0 HG12 VAL A 3 7.120 -4.050 2.720 1.00 61.14 H new ATOM 0 HG13 VAL A 3 6.010 -4.576 1.434 1.00 61.14 H new ATOM 0 HG21 VAL A 3 7.921 -6.692 0.253 1.00 11.20 H new ATOM 0 HG22 VAL A 3 7.013 -5.526 -0.739 1.00 11.20 H new ATOM 0 HG23 VAL A 3 8.784 -5.626 -0.881 1.00 11.20 H new ATOM 38 N LEU A 4 10.087 -1.829 0.158 1.00 12.35 N ATOM 39 CA LEU A 4 11.422 -1.444 -0.285 1.00 62.14 C ATOM 40 C LEU A 4 12.290 -1.027 0.898 1.00 63.35 C ATOM 41 O LEU A 4 11.795 -0.480 1.883 1.00 41.32 O ATOM 42 CB LEU A 4 11.335 -0.300 -1.297 1.00 0.22 C ATOM 43 CG LEU A 4 10.283 0.772 -1.009 1.00 75.52 C ATOM 44 CD1 LEU A 4 10.786 2.142 -1.433 1.00 43.35 C ATOM 45 CD2 LEU A 4 8.976 0.439 -1.716 1.00 3.14 C ATOM 0 H LEU A 4 9.646 -1.164 0.793 1.00 12.35 H new ATOM 0 HA LEU A 4 11.883 -2.309 -0.762 1.00 62.14 H new ATOM 0 HB2 LEU A 4 12.311 0.183 -1.354 1.00 0.22 H new ATOM 0 HB3 LEU A 4 11.132 -0.725 -2.280 1.00 0.22 H new ATOM 0 HG LEU A 4 10.098 0.793 0.065 1.00 75.52 H new ATOM 0 HD11 LEU A 4 10.024 2.891 -1.220 1.00 43.35 H new ATOM 0 HD12 LEU A 4 11.695 2.382 -0.882 1.00 43.35 H new ATOM 0 HD13 LEU A 4 11.001 2.136 -2.502 1.00 43.35 H new ATOM 0 HD21 LEU A 4 8.238 1.212 -1.500 1.00 3.14 H new ATOM 0 HD22 LEU A 4 9.146 0.390 -2.791 1.00 3.14 H new ATOM 0 HD23 LEU A 4 8.606 -0.524 -1.363 1.00 3.14 H new ATOM 57 N LYS A 5 13.589 -1.288 0.793 1.00 71.43 N ATOM 58 CA LYS A 5 14.528 -0.938 1.851 1.00 2.24 C ATOM 59 C LYS A 5 15.968 -1.116 1.382 1.00 45.42 C ATOM 60 O LYS A 5 16.847 -0.329 1.733 1.00 71.24 O ATOM 61 CB LYS A 5 14.275 -1.798 3.091 1.00 30.25 C ATOM 62 CG LYS A 5 15.311 -1.607 4.186 1.00 73.31 C ATOM 63 CD LYS A 5 15.188 -0.240 4.837 1.00 4.20 C ATOM 64 CE LYS A 5 15.609 -0.279 6.298 1.00 3.51 C ATOM 65 NZ LYS A 5 16.527 -1.417 6.581 1.00 12.21 N ATOM 0 H LYS A 5 14.015 -1.741 -0.015 1.00 71.43 H new ATOM 0 HA LYS A 5 14.374 0.111 2.106 1.00 2.24 H new ATOM 0 HB2 LYS A 5 13.289 -1.563 3.491 1.00 30.25 H new ATOM 0 HB3 LYS A 5 14.258 -2.848 2.798 1.00 30.25 H new ATOM 0 HG2 LYS A 5 15.190 -2.383 4.942 1.00 73.31 H new ATOM 0 HG3 LYS A 5 16.310 -1.723 3.767 1.00 73.31 H new ATOM 0 HD2 LYS A 5 15.806 0.478 4.298 1.00 4.20 H new ATOM 0 HD3 LYS A 5 14.158 0.108 4.763 1.00 4.20 H new ATOM 0 HE2 LYS A 5 16.101 0.658 6.559 1.00 3.51 H new ATOM 0 HE3 LYS A 5 14.724 -0.361 6.929 1.00 3.51 H new ATOM 0 HZ1 LYS A 5 17.213 -1.137 7.311 1.00 12.21 H new ATOM 0 HZ2 LYS A 5 15.976 -2.232 6.919 1.00 12.21 H new ATOM 0 HZ3 LYS A 5 17.034 -1.679 5.711 1.00 12.21 H new ATOM 79 N ASN A 6 16.203 -2.154 0.585 1.00 15.52 N ATOM 80 CA ASN A 6 17.537 -2.433 0.067 1.00 74.43 C ATOM 81 C ASN A 6 17.685 -1.915 -1.361 1.00 24.25 C ATOM 82 O ASN A 6 16.700 -1.759 -2.081 1.00 2.45 O ATOM 83 CB ASN A 6 17.817 -3.937 0.107 1.00 30.00 C ATOM 84 CG ASN A 6 19.294 -4.246 0.257 1.00 42.14 C ATOM 85 OD1 ASN A 6 20.148 -3.414 -0.050 1.00 51.34 O ATOM 86 ND2 ASN A 6 19.602 -5.448 0.730 1.00 1.44 N ATOM 0 H ASN A 6 15.487 -2.815 0.284 1.00 15.52 H new ATOM 0 HA ASN A 6 18.261 -1.918 0.699 1.00 74.43 H new ATOM 0 HB2 ASN A 6 17.269 -4.384 0.936 1.00 30.00 H new ATOM 0 HB3 ASN A 6 17.443 -4.398 -0.807 1.00 30.00 H new ATOM 0 HD21 ASN A 6 20.579 -5.713 0.852 1.00 1.44 H new ATOM 0 HD22 ASN A 6 18.861 -6.106 0.972 1.00 1.44 H new ATOM 93 N ASN A 7 18.925 -1.652 -1.762 1.00 55.54 N ATOM 94 CA ASN A 7 19.203 -1.151 -3.104 1.00 12.03 C ATOM 95 C ASN A 7 18.972 0.355 -3.181 1.00 10.20 C ATOM 96 O ASN A 7 19.915 1.133 -3.333 1.00 71.41 O ATOM 97 CB ASN A 7 18.323 -1.867 -4.130 1.00 54.54 C ATOM 98 CG ASN A 7 18.991 -1.978 -5.487 1.00 61.30 C ATOM 99 OD1 ASN A 7 20.003 -2.664 -5.638 1.00 55.44 O ATOM 100 ND2 ASN A 7 18.427 -1.303 -6.482 1.00 22.03 N ATOM 0 H ASN A 7 19.752 -1.777 -1.178 1.00 55.54 H new ATOM 0 HA ASN A 7 20.250 -1.352 -3.331 1.00 12.03 H new ATOM 0 HB2 ASN A 7 18.082 -2.865 -3.764 1.00 54.54 H new ATOM 0 HB3 ASN A 7 17.381 -1.329 -4.235 1.00 54.54 H new ATOM 0 HD21 ASN A 7 18.832 -1.340 -7.417 1.00 22.03 H new ATOM 0 HD22 ASN A 7 17.589 -0.747 -6.311 1.00 22.03 H new ATOM 107 N THR A 8 17.711 0.761 -3.074 1.00 55.45 N ATOM 108 CA THR A 8 17.355 2.173 -3.133 1.00 12.53 C ATOM 109 C THR A 8 16.748 2.642 -1.815 1.00 52.33 C ATOM 110 O THR A 8 15.731 2.124 -1.353 1.00 40.23 O ATOM 111 CB THR A 8 16.358 2.455 -4.273 1.00 43.20 C ATOM 112 OG1 THR A 8 16.872 1.947 -5.509 1.00 70.22 O ATOM 113 CG2 THR A 8 16.093 3.947 -4.404 1.00 3.53 C ATOM 0 H THR A 8 16.919 0.131 -2.946 1.00 55.45 H new ATOM 0 HA THR A 8 18.277 2.723 -3.323 1.00 12.53 H new ATOM 0 HB THR A 8 15.419 1.955 -4.037 1.00 43.20 H new ATOM 0 HG1 THR A 8 16.232 2.128 -6.229 1.00 70.22 H new ATOM 0 HG21 THR A 8 15.386 4.121 -5.215 1.00 3.53 H new ATOM 0 HG22 THR A 8 15.675 4.326 -3.471 1.00 3.53 H new ATOM 0 HG23 THR A 8 17.028 4.465 -4.620 1.00 3.53 H new ATOM 121 N PRO A 9 17.383 3.647 -1.194 1.00 44.14 N ATOM 122 CA PRO A 9 16.922 4.209 0.079 1.00 63.23 C ATOM 123 C PRO A 9 15.623 4.993 -0.070 1.00 71.34 C ATOM 124 O PRO A 9 15.325 5.523 -1.141 1.00 5.33 O ATOM 125 CB PRO A 9 18.065 5.141 0.490 1.00 71.22 C ATOM 126 CG PRO A 9 18.730 5.512 -0.791 1.00 11.45 C ATOM 127 CD PRO A 9 18.601 4.312 -1.688 1.00 10.54 C ATOM 0 HA PRO A 9 16.703 3.432 0.812 1.00 63.23 H new ATOM 0 HB2 PRO A 9 17.690 6.022 1.011 1.00 71.22 H new ATOM 0 HB3 PRO A 9 18.759 4.642 1.166 1.00 71.22 H new ATOM 0 HG2 PRO A 9 18.256 6.386 -1.238 1.00 11.45 H new ATOM 0 HG3 PRO A 9 19.777 5.766 -0.628 1.00 11.45 H new ATOM 0 HD2 PRO A 9 18.505 4.601 -2.735 1.00 10.54 H new ATOM 0 HD3 PRO A 9 19.472 3.661 -1.616 1.00 10.54 H new ATOM 135 N VAL A 10 14.852 5.062 1.010 1.00 13.21 N ATOM 136 CA VAL A 10 13.584 5.783 1.000 1.00 44.02 C ATOM 137 C VAL A 10 13.800 7.277 1.212 1.00 2.23 C ATOM 138 O VAL A 10 14.242 7.706 2.279 1.00 73.45 O ATOM 139 CB VAL A 10 12.629 5.254 2.086 1.00 71.12 C ATOM 140 CG1 VAL A 10 11.237 5.841 1.905 1.00 5.43 C ATOM 141 CG2 VAL A 10 12.582 3.734 2.059 1.00 23.32 C ATOM 0 H VAL A 10 15.083 4.627 1.903 1.00 13.21 H new ATOM 0 HA VAL A 10 13.134 5.619 0.021 1.00 44.02 H new ATOM 0 HB VAL A 10 13.006 5.566 3.060 1.00 71.12 H new ATOM 0 HG11 VAL A 10 10.576 5.456 2.681 1.00 5.43 H new ATOM 0 HG12 VAL A 10 11.288 6.927 1.978 1.00 5.43 H new ATOM 0 HG13 VAL A 10 10.848 5.561 0.926 1.00 5.43 H new ATOM 0 HG21 VAL A 10 11.902 3.377 2.833 1.00 23.32 H new ATOM 0 HG22 VAL A 10 12.230 3.398 1.084 1.00 23.32 H new ATOM 0 HG23 VAL A 10 13.580 3.336 2.241 1.00 23.32 H new ATOM 151 N SER A 11 13.485 8.066 0.190 1.00 4.31 N ATOM 152 CA SER A 11 13.648 9.514 0.263 1.00 31.43 C ATOM 153 C SER A 11 12.464 10.158 0.979 1.00 61.45 C ATOM 154 O SER A 11 11.381 9.579 1.055 1.00 64.33 O ATOM 155 CB SER A 11 13.792 10.103 -1.141 1.00 4.51 C ATOM 156 OG SER A 11 13.136 9.296 -2.103 1.00 52.51 O ATOM 0 H SER A 11 13.116 7.727 -0.698 1.00 4.31 H new ATOM 0 HA SER A 11 14.553 9.726 0.832 1.00 31.43 H new ATOM 0 HB2 SER A 11 13.374 11.110 -1.161 1.00 4.51 H new ATOM 0 HB3 SER A 11 14.848 10.191 -1.395 1.00 4.51 H new ATOM 0 HG SER A 11 13.242 9.695 -2.992 1.00 52.51 H new ATOM 162 N ASN A 12 12.680 11.360 1.501 1.00 11.35 N ATOM 163 CA ASN A 12 11.632 12.084 2.212 1.00 52.35 C ATOM 164 C ASN A 12 10.771 11.129 3.032 1.00 21.25 C ATOM 165 O ASN A 12 9.587 10.943 2.749 1.00 12.10 O ATOM 166 CB ASN A 12 10.756 12.856 1.222 1.00 32.52 C ATOM 167 CG ASN A 12 10.558 12.106 -0.081 1.00 35.41 C ATOM 168 OD1 ASN A 12 11.303 12.300 -1.041 1.00 72.23 O ATOM 169 ND2 ASN A 12 9.548 11.243 -0.120 1.00 4.35 N ATOM 0 H ASN A 12 13.571 11.854 1.445 1.00 11.35 H new ATOM 0 HA ASN A 12 12.109 12.789 2.892 1.00 52.35 H new ATOM 0 HB2 ASN A 12 9.785 13.052 1.676 1.00 32.52 H new ATOM 0 HB3 ASN A 12 11.212 13.824 1.015 1.00 32.52 H new ATOM 0 HD21 ASN A 12 9.365 10.710 -0.970 1.00 4.35 H new ATOM 0 HD22 ASN A 12 8.955 11.114 0.700 1.00 4.35 H new ATOM 176 N LEU A 13 11.374 10.525 4.051 1.00 14.40 N ATOM 177 CA LEU A 13 10.663 9.589 4.915 1.00 72.03 C ATOM 178 C LEU A 13 9.475 10.266 5.591 1.00 2.22 C ATOM 179 O LEU A 13 9.108 11.390 5.247 1.00 51.11 O ATOM 180 CB LEU A 13 11.610 9.020 5.972 1.00 23.02 C ATOM 181 CG LEU A 13 11.516 7.513 6.217 1.00 42.52 C ATOM 182 CD1 LEU A 13 11.752 6.747 4.924 1.00 13.25 C ATOM 183 CD2 LEU A 13 12.513 7.083 7.283 1.00 13.13 C ATOM 0 H LEU A 13 12.353 10.667 4.299 1.00 14.40 H new ATOM 0 HA LEU A 13 10.288 8.774 4.296 1.00 72.03 H new ATOM 0 HB2 LEU A 13 12.633 9.257 5.680 1.00 23.02 H new ATOM 0 HB3 LEU A 13 11.421 9.534 6.915 1.00 23.02 H new ATOM 0 HG LEU A 13 10.512 7.284 6.574 1.00 42.52 H new ATOM 0 HD11 LEU A 13 11.681 5.677 5.117 1.00 13.25 H new ATOM 0 HD12 LEU A 13 11.000 7.033 4.189 1.00 13.25 H new ATOM 0 HD13 LEU A 13 12.744 6.981 4.538 1.00 13.25 H new ATOM 0 HD21 LEU A 13 12.432 6.008 7.444 1.00 13.13 H new ATOM 0 HD22 LEU A 13 13.524 7.326 6.955 1.00 13.13 H new ATOM 0 HD23 LEU A 13 12.298 7.607 8.214 1.00 13.13 H new ATOM 195 N THR A 14 8.879 9.576 6.558 1.00 35.31 N ATOM 196 CA THR A 14 7.733 10.110 7.284 1.00 4.21 C ATOM 197 C THR A 14 7.744 9.656 8.739 1.00 22.12 C ATOM 198 O THR A 14 8.059 8.505 9.038 1.00 72.20 O ATOM 199 CB THR A 14 6.405 9.680 6.634 1.00 61.24 C ATOM 200 OG1 THR A 14 6.470 8.301 6.253 1.00 21.22 O ATOM 201 CG2 THR A 14 6.099 10.534 5.413 1.00 73.13 C ATOM 0 H THR A 14 9.171 8.646 6.857 1.00 35.31 H new ATOM 0 HA THR A 14 7.813 11.196 7.244 1.00 4.21 H new ATOM 0 HB THR A 14 5.607 9.818 7.364 1.00 61.24 H new ATOM 0 HG1 THR A 14 5.621 8.035 5.842 1.00 21.22 H new ATOM 0 HG21 THR A 14 5.156 10.212 4.971 1.00 73.13 H new ATOM 0 HG22 THR A 14 6.022 11.580 5.711 1.00 73.13 H new ATOM 0 HG23 THR A 14 6.900 10.423 4.682 1.00 73.13 H new ATOM 209 N GLY A 15 7.397 10.569 9.642 1.00 64.50 N ATOM 210 CA GLY A 15 7.373 10.242 11.056 1.00 64.33 C ATOM 211 C GLY A 15 6.225 10.910 11.786 1.00 44.01 C ATOM 212 O GLY A 15 6.441 11.760 12.648 1.00 11.24 O ATOM 0 H GLY A 15 7.132 11.529 9.419 1.00 64.50 H new ATOM 0 HA2 GLY A 15 7.295 9.161 11.175 1.00 64.33 H new ATOM 0 HA3 GLY A 15 8.315 10.546 11.512 1.00 64.33 H new ATOM 216 N ASN A 16 5.001 10.526 11.438 1.00 24.14 N ATOM 217 CA ASN A 16 3.815 11.096 12.066 1.00 74.24 C ATOM 218 C ASN A 16 3.600 10.509 13.458 1.00 50.15 C ATOM 219 O ASN A 16 3.790 9.312 13.675 1.00 3.33 O ATOM 220 CB ASN A 16 2.581 10.841 11.197 1.00 41.31 C ATOM 221 CG ASN A 16 2.272 12.006 10.276 1.00 1.02 C ATOM 222 OD1 ASN A 16 2.977 12.239 9.294 1.00 11.31 O ATOM 223 ND2 ASN A 16 1.214 12.744 10.591 1.00 72.04 N ATOM 0 H ASN A 16 4.805 9.823 10.725 1.00 24.14 H new ATOM 0 HA ASN A 16 3.967 12.171 12.164 1.00 74.24 H new ATOM 0 HB2 ASN A 16 2.739 9.942 10.601 1.00 41.31 H new ATOM 0 HB3 ASN A 16 1.721 10.651 11.839 1.00 41.31 H new ATOM 0 HD21 ASN A 16 0.957 13.541 10.009 1.00 72.04 H new ATOM 0 HD22 ASN A 16 0.658 12.514 11.415 1.00 72.04 H new ATOM 230 N LYS A 17 3.202 11.360 14.397 1.00 32.22 N ATOM 231 CA LYS A 17 2.959 10.927 15.768 1.00 12.33 C ATOM 232 C LYS A 17 2.030 9.718 15.801 1.00 61.32 C ATOM 233 O LYS A 17 2.100 8.894 16.712 1.00 75.12 O ATOM 234 CB LYS A 17 2.353 12.071 16.586 1.00 62.42 C ATOM 235 CG LYS A 17 1.243 12.814 15.863 1.00 64.02 C ATOM 236 CD LYS A 17 1.704 14.184 15.393 1.00 71.43 C ATOM 237 CE LYS A 17 1.489 15.242 16.464 1.00 60.20 C ATOM 238 NZ LYS A 17 0.043 15.514 16.693 1.00 71.23 N ATOM 0 H LYS A 17 3.041 12.354 14.234 1.00 32.22 H new ATOM 0 HA LYS A 17 3.915 10.640 16.206 1.00 12.33 H new ATOM 0 HB2 LYS A 17 1.961 11.670 17.521 1.00 62.42 H new ATOM 0 HB3 LYS A 17 3.141 12.777 16.847 1.00 62.42 H new ATOM 0 HG2 LYS A 17 0.909 12.228 15.007 1.00 64.02 H new ATOM 0 HG3 LYS A 17 0.386 12.925 16.527 1.00 64.02 H new ATOM 0 HD2 LYS A 17 2.760 14.142 15.128 1.00 71.43 H new ATOM 0 HD3 LYS A 17 1.160 14.462 14.491 1.00 71.43 H new ATOM 0 HE2 LYS A 17 1.949 14.914 17.396 1.00 60.20 H new ATOM 0 HE3 LYS A 17 1.990 16.164 16.169 1.00 60.20 H new ATOM 0 HZ1 LYS A 17 -0.070 16.454 17.123 1.00 71.23 H new ATOM 0 HZ2 LYS A 17 -0.464 15.485 15.785 1.00 71.23 H new ATOM 0 HZ3 LYS A 17 -0.349 14.792 17.331 1.00 71.23 H new ATOM 252 N GLY A 18 1.162 9.617 14.799 1.00 74.20 N ATOM 253 CA GLY A 18 0.233 8.504 14.732 1.00 73.22 C ATOM 254 C GLY A 18 0.532 7.568 13.578 1.00 70.24 C ATOM 255 O GLY A 18 0.609 6.353 13.759 1.00 25.30 O ATOM 0 H GLY A 18 1.086 10.286 14.033 1.00 74.20 H new ATOM 0 HA2 GLY A 18 0.271 7.946 15.668 1.00 73.22 H new ATOM 0 HA3 GLY A 18 -0.782 8.888 14.631 1.00 73.22 H new ATOM 259 N SER A 19 0.699 8.134 12.387 1.00 60.23 N ATOM 260 CA SER A 19 0.986 7.341 11.197 1.00 72.11 C ATOM 261 C SER A 19 2.442 6.887 11.185 1.00 45.34 C ATOM 262 O SER A 19 3.321 7.573 11.705 1.00 2.42 O ATOM 263 CB SER A 19 0.681 8.149 9.934 1.00 33.31 C ATOM 264 OG SER A 19 -0.681 8.022 9.564 1.00 33.31 O ATOM 0 H SER A 19 0.641 9.139 12.220 1.00 60.23 H new ATOM 0 HA SER A 19 0.348 6.457 11.217 1.00 72.11 H new ATOM 0 HB2 SER A 19 0.918 9.199 10.104 1.00 33.31 H new ATOM 0 HB3 SER A 19 1.316 7.807 9.117 1.00 33.31 H new ATOM 0 HG SER A 19 -0.851 8.549 8.755 1.00 33.31 H new ATOM 270 N GLU A 20 2.689 5.726 10.586 1.00 1.20 N ATOM 271 CA GLU A 20 4.039 5.180 10.506 1.00 12.15 C ATOM 272 C GLU A 20 4.274 4.506 9.158 1.00 64.11 C ATOM 273 O GLU A 20 3.344 4.319 8.374 1.00 71.42 O ATOM 274 CB GLU A 20 4.275 4.178 11.638 1.00 31.32 C ATOM 275 CG GLU A 20 3.739 4.640 12.983 1.00 40.43 C ATOM 276 CD GLU A 20 2.321 4.167 13.240 1.00 45.32 C ATOM 277 OE1 GLU A 20 1.618 3.840 12.262 1.00 61.54 O ATOM 278 OE2 GLU A 20 1.916 4.125 14.420 1.00 31.23 O ATOM 0 H GLU A 20 1.973 5.146 10.149 1.00 1.20 H new ATOM 0 HA GLU A 20 4.744 6.005 10.608 1.00 12.15 H new ATOM 0 HB2 GLU A 20 3.806 3.230 11.376 1.00 31.32 H new ATOM 0 HB3 GLU A 20 5.345 3.990 11.728 1.00 31.32 H new ATOM 0 HG2 GLU A 20 4.390 4.271 13.775 1.00 40.43 H new ATOM 0 HG3 GLU A 20 3.768 5.729 13.027 1.00 40.43 H new ATOM 285 N VAL A 21 5.526 4.144 8.895 1.00 60.25 N ATOM 286 CA VAL A 21 5.885 3.490 7.642 1.00 42.23 C ATOM 287 C VAL A 21 6.687 2.219 7.895 1.00 23.25 C ATOM 288 O VAL A 21 7.569 2.189 8.755 1.00 75.13 O ATOM 289 CB VAL A 21 6.703 4.428 6.734 1.00 65.30 C ATOM 290 CG1 VAL A 21 5.922 4.767 5.474 1.00 62.12 C ATOM 291 CG2 VAL A 21 7.092 5.691 7.486 1.00 5.24 C ATOM 0 H VAL A 21 6.308 4.293 9.533 1.00 60.25 H new ATOM 0 HA VAL A 21 4.952 3.233 7.141 1.00 42.23 H new ATOM 0 HB VAL A 21 7.617 3.913 6.438 1.00 65.30 H new ATOM 0 HG11 VAL A 21 6.516 5.430 4.845 1.00 62.12 H new ATOM 0 HG12 VAL A 21 5.699 3.851 4.927 1.00 62.12 H new ATOM 0 HG13 VAL A 21 4.990 5.263 5.746 1.00 62.12 H new ATOM 0 HG21 VAL A 21 7.669 6.342 6.830 1.00 5.24 H new ATOM 0 HG22 VAL A 21 6.192 6.211 7.813 1.00 5.24 H new ATOM 0 HG23 VAL A 21 7.694 5.426 8.355 1.00 5.24 H new ATOM 301 N PHE A 22 6.376 1.169 7.142 1.00 45.43 N ATOM 302 CA PHE A 22 7.068 -0.106 7.285 1.00 61.41 C ATOM 303 C PHE A 22 7.388 -0.708 5.920 1.00 44.35 C ATOM 304 O PHE A 22 6.672 -0.478 4.945 1.00 62.54 O ATOM 305 CB PHE A 22 6.217 -1.084 8.098 1.00 12.31 C ATOM 306 CG PHE A 22 4.766 -1.082 7.709 1.00 30.12 C ATOM 307 CD1 PHE A 22 3.883 -0.181 8.282 1.00 34.54 C ATOM 308 CD2 PHE A 22 4.286 -1.981 6.770 1.00 13.43 C ATOM 309 CE1 PHE A 22 2.547 -0.178 7.927 1.00 61.52 C ATOM 310 CE2 PHE A 22 2.951 -1.982 6.410 1.00 1.04 C ATOM 311 CZ PHE A 22 2.081 -1.079 6.989 1.00 50.12 C ATOM 0 H PHE A 22 5.649 1.176 6.427 1.00 45.43 H new ATOM 0 HA PHE A 22 8.005 0.075 7.812 1.00 61.41 H new ATOM 0 HB2 PHE A 22 6.617 -2.091 7.975 1.00 12.31 H new ATOM 0 HB3 PHE A 22 6.302 -0.835 9.156 1.00 12.31 H new ATOM 0 HD1 PHE A 22 4.243 0.527 9.014 1.00 34.54 H new ATOM 0 HD2 PHE A 22 4.962 -2.689 6.314 1.00 13.43 H new ATOM 0 HE1 PHE A 22 1.868 0.528 8.382 1.00 61.52 H new ATOM 0 HE2 PHE A 22 2.589 -2.688 5.677 1.00 1.04 H new ATOM 0 HZ PHE A 22 1.038 -1.077 6.709 1.00 50.12 H new ATOM 321 N TYR A 23 8.469 -1.477 5.858 1.00 62.32 N ATOM 322 CA TYR A 23 8.887 -2.110 4.612 1.00 2.51 C ATOM 323 C TYR A 23 9.577 -3.443 4.883 1.00 62.02 C ATOM 324 O TYR A 23 9.951 -3.744 6.017 1.00 62.22 O ATOM 325 CB TYR A 23 9.827 -1.185 3.837 1.00 53.45 C ATOM 326 CG TYR A 23 9.333 0.242 3.746 1.00 63.34 C ATOM 327 CD1 TYR A 23 8.468 0.635 2.732 1.00 11.24 C ATOM 328 CD2 TYR A 23 9.732 1.196 4.674 1.00 71.21 C ATOM 329 CE1 TYR A 23 8.015 1.937 2.645 1.00 4.53 C ATOM 330 CE2 TYR A 23 9.283 2.500 4.595 1.00 3.04 C ATOM 331 CZ TYR A 23 8.426 2.866 3.579 1.00 14.10 C ATOM 332 OH TYR A 23 7.976 4.164 3.496 1.00 31.05 O ATOM 0 H TYR A 23 9.072 -1.677 6.656 1.00 62.32 H new ATOM 0 HA TYR A 23 7.996 -2.298 4.013 1.00 2.51 H new ATOM 0 HB2 TYR A 23 10.806 -1.192 4.316 1.00 53.45 H new ATOM 0 HB3 TYR A 23 9.962 -1.579 2.830 1.00 53.45 H new ATOM 0 HD1 TYR A 23 8.144 -0.090 2.000 1.00 11.24 H new ATOM 0 HD2 TYR A 23 10.404 0.913 5.470 1.00 71.21 H new ATOM 0 HE1 TYR A 23 7.343 2.226 1.851 1.00 4.53 H new ATOM 0 HE2 TYR A 23 9.602 3.229 5.325 1.00 3.04 H new ATOM 0 HH TYR A 23 7.084 4.176 3.090 1.00 31.05 H new ATOM 342 N THR A 24 9.744 -4.240 3.832 1.00 54.14 N ATOM 343 CA THR A 24 10.388 -5.541 3.954 1.00 72.53 C ATOM 344 C THR A 24 11.349 -5.790 2.797 1.00 5.42 C ATOM 345 O THR A 24 11.043 -5.482 1.645 1.00 5.41 O ATOM 346 CB THR A 24 9.351 -6.680 3.997 1.00 13.42 C ATOM 347 OG1 THR A 24 8.300 -6.351 4.913 1.00 4.51 O ATOM 348 CG2 THR A 24 10.002 -7.990 4.414 1.00 1.42 C ATOM 0 H THR A 24 9.442 -4.006 2.886 1.00 54.14 H new ATOM 0 HA THR A 24 10.945 -5.530 4.891 1.00 72.53 H new ATOM 0 HB THR A 24 8.936 -6.802 2.996 1.00 13.42 H new ATOM 0 HG1 THR A 24 7.644 -7.079 4.934 1.00 4.51 H new ATOM 0 HG21 THR A 24 9.250 -8.779 4.437 1.00 1.42 H new ATOM 0 HG22 THR A 24 10.782 -8.253 3.699 1.00 1.42 H new ATOM 0 HG23 THR A 24 10.441 -7.879 5.405 1.00 1.42 H new ATOM 356 N PHE A 25 12.513 -6.349 3.111 1.00 4.13 N ATOM 357 CA PHE A 25 13.521 -6.638 2.097 1.00 33.34 C ATOM 358 C PHE A 25 14.516 -7.679 2.601 1.00 21.34 C ATOM 359 O PHE A 25 14.612 -7.934 3.802 1.00 32.24 O ATOM 360 CB PHE A 25 14.260 -5.358 1.703 1.00 62.32 C ATOM 361 CG PHE A 25 14.386 -5.172 0.218 1.00 72.23 C ATOM 362 CD1 PHE A 25 15.373 -5.833 -0.496 1.00 0.04 C ATOM 363 CD2 PHE A 25 13.517 -4.337 -0.465 1.00 55.12 C ATOM 364 CE1 PHE A 25 15.491 -5.663 -1.862 1.00 41.20 C ATOM 365 CE2 PHE A 25 13.630 -4.163 -1.832 1.00 35.12 C ATOM 366 CZ PHE A 25 14.618 -4.828 -2.531 1.00 54.11 C ATOM 0 H PHE A 25 12.782 -6.611 4.059 1.00 4.13 H new ATOM 0 HA PHE A 25 13.014 -7.041 1.220 1.00 33.34 H new ATOM 0 HB2 PHE A 25 13.736 -4.501 2.125 1.00 62.32 H new ATOM 0 HB3 PHE A 25 15.256 -5.372 2.145 1.00 62.32 H new ATOM 0 HD1 PHE A 25 16.058 -6.489 0.021 1.00 0.04 H new ATOM 0 HD2 PHE A 25 12.742 -3.816 0.077 1.00 55.12 H new ATOM 0 HE1 PHE A 25 16.266 -6.183 -2.406 1.00 41.20 H new ATOM 0 HE2 PHE A 25 12.947 -3.508 -2.352 1.00 35.12 H new ATOM 0 HZ PHE A 25 14.708 -4.695 -3.599 1.00 54.11 H new ATOM 376 N THR A 26 15.256 -8.279 1.674 1.00 21.51 N ATOM 377 CA THR A 26 16.243 -9.294 2.022 1.00 11.24 C ATOM 378 C THR A 26 17.543 -9.082 1.256 1.00 44.21 C ATOM 379 O THR A 26 17.614 -8.250 0.351 1.00 20.01 O ATOM 380 CB THR A 26 15.716 -10.712 1.734 1.00 21.44 C ATOM 381 OG1 THR A 26 15.644 -10.930 0.321 1.00 35.40 O ATOM 382 CG2 THR A 26 14.342 -10.916 2.355 1.00 3.32 C ATOM 0 H THR A 26 15.191 -8.079 0.676 1.00 21.51 H new ATOM 0 HA THR A 26 16.434 -9.196 3.091 1.00 11.24 H new ATOM 0 HB THR A 26 16.407 -11.429 2.177 1.00 21.44 H new ATOM 0 HG1 THR A 26 15.310 -11.834 0.146 1.00 35.40 H new ATOM 0 HG21 THR A 26 13.991 -11.925 2.138 1.00 3.32 H new ATOM 0 HG22 THR A 26 14.407 -10.779 3.434 1.00 3.32 H new ATOM 0 HG23 THR A 26 13.643 -10.191 1.938 1.00 3.32 H new ATOM 390 N VAL A 27 18.572 -9.840 1.623 1.00 12.22 N ATOM 391 CA VAL A 27 19.870 -9.736 0.968 1.00 4.14 C ATOM 392 C VAL A 27 20.130 -10.939 0.069 1.00 40.03 C ATOM 393 O VAL A 27 19.417 -11.940 0.133 1.00 73.42 O ATOM 394 CB VAL A 27 21.011 -9.623 1.998 1.00 75.11 C ATOM 395 CG1 VAL A 27 20.907 -8.315 2.768 1.00 23.40 C ATOM 396 CG2 VAL A 27 20.992 -10.813 2.946 1.00 54.42 C ATOM 0 H VAL A 27 18.531 -10.533 2.371 1.00 12.22 H new ATOM 0 HA VAL A 27 19.847 -8.831 0.361 1.00 4.14 H new ATOM 0 HB VAL A 27 21.962 -9.628 1.465 1.00 75.11 H new ATOM 0 HG11 VAL A 27 21.721 -8.253 3.491 1.00 23.40 H new ATOM 0 HG12 VAL A 27 20.973 -7.478 2.073 1.00 23.40 H new ATOM 0 HG13 VAL A 27 19.952 -8.276 3.292 1.00 23.40 H new ATOM 0 HG21 VAL A 27 21.804 -10.717 3.667 1.00 54.42 H new ATOM 0 HG22 VAL A 27 20.039 -10.842 3.475 1.00 54.42 H new ATOM 0 HG23 VAL A 27 21.119 -11.734 2.377 1.00 54.42 H new ATOM 406 N ASP A 28 21.156 -10.834 -0.769 1.00 14.21 N ATOM 407 CA ASP A 28 21.511 -11.914 -1.682 1.00 24.14 C ATOM 408 C ASP A 28 22.814 -12.582 -1.252 1.00 11.12 C ATOM 409 O ASP A 28 22.900 -13.808 -1.179 1.00 14.24 O ATOM 410 CB ASP A 28 21.644 -11.382 -3.109 1.00 52.52 C ATOM 411 CG ASP A 28 20.346 -10.798 -3.632 1.00 51.21 C ATOM 412 OD1 ASP A 28 19.279 -11.385 -3.358 1.00 72.53 O ATOM 413 OD2 ASP A 28 20.397 -9.754 -4.316 1.00 4.22 O ATOM 0 H ASP A 28 21.756 -10.012 -0.835 1.00 14.21 H new ATOM 0 HA ASP A 28 20.715 -12.658 -1.653 1.00 24.14 H new ATOM 0 HB2 ASP A 28 22.421 -10.618 -3.138 1.00 52.52 H new ATOM 0 HB3 ASP A 28 21.967 -12.189 -3.766 1.00 52.52 H new ATOM 418 N ARG A 29 23.825 -11.767 -0.970 1.00 25.43 N ATOM 419 CA ARG A 29 25.124 -12.279 -0.550 1.00 22.45 C ATOM 420 C ARG A 29 25.553 -11.653 0.774 1.00 45.31 C ATOM 421 O ARG A 29 25.096 -10.570 1.136 1.00 12.13 O ATOM 422 CB ARG A 29 26.178 -12.001 -1.623 1.00 73.03 C ATOM 423 CG ARG A 29 27.473 -12.769 -1.419 1.00 5.42 C ATOM 424 CD ARG A 29 27.238 -14.271 -1.426 1.00 0.01 C ATOM 425 NE ARG A 29 28.421 -15.008 -1.861 1.00 62.31 N ATOM 426 CZ ARG A 29 28.484 -16.334 -1.909 1.00 25.35 C ATOM 427 NH1 ARG A 29 27.438 -17.065 -1.550 1.00 15.41 N ATOM 428 NH2 ARG A 29 29.597 -16.933 -2.316 1.00 14.51 N ATOM 0 H ARG A 29 23.770 -10.750 -1.025 1.00 25.43 H new ATOM 0 HA ARG A 29 25.033 -13.356 -0.411 1.00 22.45 H new ATOM 0 HB2 ARG A 29 25.765 -12.254 -2.600 1.00 73.03 H new ATOM 0 HB3 ARG A 29 26.397 -10.933 -1.637 1.00 73.03 H new ATOM 0 HG2 ARG A 29 28.180 -12.507 -2.206 1.00 5.42 H new ATOM 0 HG3 ARG A 29 27.926 -12.475 -0.472 1.00 5.42 H new ATOM 0 HD2 ARG A 29 26.955 -14.598 -0.426 1.00 0.01 H new ATOM 0 HD3 ARG A 29 26.403 -14.504 -2.086 1.00 0.01 H new ATOM 0 HE ARG A 29 29.244 -14.476 -2.143 1.00 62.31 H new ATOM 0 HH11 ARG A 29 26.581 -16.609 -1.236 1.00 15.41 H new ATOM 0 HH12 ARG A 29 27.490 -18.083 -1.588 1.00 15.41 H new ATOM 0 HH21 ARG A 29 30.405 -16.375 -2.592 1.00 14.51 H new ATOM 0 HH22 ARG A 29 29.644 -17.951 -2.352 1.00 14.51 H new ATOM 442 N ASN A 30 26.435 -12.342 1.491 1.00 71.21 N ATOM 443 CA ASN A 30 26.925 -11.854 2.775 1.00 41.23 C ATOM 444 C ASN A 30 28.017 -10.807 2.577 1.00 11.53 C ATOM 445 O ASN A 30 29.092 -11.106 2.059 1.00 21.11 O ATOM 446 CB ASN A 30 27.462 -13.015 3.614 1.00 2.32 C ATOM 447 CG ASN A 30 28.372 -12.546 4.733 1.00 21.44 C ATOM 448 OD1 ASN A 30 28.032 -11.631 5.483 1.00 41.33 O ATOM 449 ND2 ASN A 30 29.536 -13.174 4.851 1.00 22.42 N ATOM 0 H ASN A 30 26.825 -13.240 1.205 1.00 71.21 H new ATOM 0 HA ASN A 30 26.091 -11.389 3.302 1.00 41.23 H new ATOM 0 HB2 ASN A 30 26.626 -13.571 4.038 1.00 2.32 H new ATOM 0 HB3 ASN A 30 28.008 -13.704 2.969 1.00 2.32 H new ATOM 0 HD21 ASN A 30 30.189 -12.903 5.586 1.00 22.42 H new ATOM 0 HD22 ASN A 30 29.777 -13.927 4.207 1.00 22.42 H new ATOM 456 N ALA A 31 27.732 -9.577 2.995 1.00 64.31 N ATOM 457 CA ALA A 31 28.690 -8.486 2.867 1.00 64.23 C ATOM 458 C ALA A 31 28.651 -7.574 4.088 1.00 34.33 C ATOM 459 O ALA A 31 27.590 -7.346 4.672 1.00 64.00 O ATOM 460 CB ALA A 31 28.415 -7.688 1.601 1.00 62.22 C ATOM 0 H ALA A 31 26.846 -9.312 3.425 1.00 64.31 H new ATOM 0 HA ALA A 31 29.688 -8.919 2.801 1.00 64.23 H new ATOM 0 HB1 ALA A 31 29.138 -6.876 1.518 1.00 62.22 H new ATOM 0 HB2 ALA A 31 28.502 -8.341 0.733 1.00 62.22 H new ATOM 0 HB3 ALA A 31 27.408 -7.274 1.644 1.00 62.22 H new ATOM 466 N THR A 32 29.813 -7.055 4.472 1.00 71.12 N ATOM 467 CA THR A 32 29.911 -6.170 5.625 1.00 1.32 C ATOM 468 C THR A 32 29.942 -4.708 5.195 1.00 44.41 C ATOM 469 O THR A 32 30.943 -4.229 4.661 1.00 33.23 O ATOM 470 CB THR A 32 31.168 -6.474 6.462 1.00 43.14 C ATOM 471 OG1 THR A 32 31.340 -5.473 7.471 1.00 55.53 O ATOM 472 CG2 THR A 32 32.406 -6.528 5.578 1.00 13.04 C ATOM 0 H THR A 32 30.700 -7.233 4.001 1.00 71.12 H new ATOM 0 HA THR A 32 29.026 -6.348 6.235 1.00 1.32 H new ATOM 0 HB THR A 32 31.035 -7.447 6.936 1.00 43.14 H new ATOM 0 HG1 THR A 32 32.140 -5.675 7.999 1.00 55.53 H new ATOM 0 HG21 THR A 32 33.281 -6.744 6.191 1.00 13.04 H new ATOM 0 HG22 THR A 32 32.285 -7.311 4.830 1.00 13.04 H new ATOM 0 HG23 THR A 32 32.540 -5.568 5.080 1.00 13.04 H new ATOM 480 N ALA A 33 28.841 -4.002 5.431 1.00 20.41 N ATOM 481 CA ALA A 33 28.744 -2.593 5.070 1.00 30.52 C ATOM 482 C ALA A 33 28.062 -1.790 6.173 1.00 64.14 C ATOM 483 O ALA A 33 27.196 -2.301 6.882 1.00 32.30 O ATOM 484 CB ALA A 33 27.992 -2.436 3.757 1.00 14.42 C ATOM 0 H ALA A 33 28.003 -4.383 5.871 1.00 20.41 H new ATOM 0 HA ALA A 33 29.755 -2.204 4.946 1.00 30.52 H new ATOM 0 HB1 ALA A 33 27.927 -1.379 3.499 1.00 14.42 H new ATOM 0 HB2 ALA A 33 28.522 -2.970 2.968 1.00 14.42 H new ATOM 0 HB3 ALA A 33 26.988 -2.847 3.862 1.00 14.42 H new ATOM 490 N VAL A 34 28.460 -0.529 6.312 1.00 71.32 N ATOM 491 CA VAL A 34 27.887 0.345 7.328 1.00 12.20 C ATOM 492 C VAL A 34 26.957 1.379 6.703 1.00 71.24 C ATOM 493 O VAL A 34 27.402 2.287 6.001 1.00 64.44 O ATOM 494 CB VAL A 34 28.985 1.074 8.125 1.00 12.30 C ATOM 495 CG1 VAL A 34 29.965 1.756 7.183 1.00 43.11 C ATOM 496 CG2 VAL A 34 28.367 2.080 9.084 1.00 2.44 C ATOM 0 H VAL A 34 29.177 -0.090 5.734 1.00 71.32 H new ATOM 0 HA VAL A 34 27.316 -0.290 8.006 1.00 12.20 H new ATOM 0 HB VAL A 34 29.535 0.337 8.711 1.00 12.30 H new ATOM 0 HG11 VAL A 34 30.733 2.266 7.764 1.00 43.11 H new ATOM 0 HG12 VAL A 34 30.432 1.009 6.540 1.00 43.11 H new ATOM 0 HG13 VAL A 34 29.433 2.482 6.568 1.00 43.11 H new ATOM 0 HG21 VAL A 34 29.157 2.586 9.639 1.00 2.44 H new ATOM 0 HG22 VAL A 34 27.792 2.814 8.520 1.00 2.44 H new ATOM 0 HG23 VAL A 34 27.709 1.561 9.781 1.00 2.44 H new ATOM 506 N VAL A 35 25.661 1.235 6.963 1.00 42.14 N ATOM 507 CA VAL A 35 24.667 2.157 6.427 1.00 41.33 C ATOM 508 C VAL A 35 23.760 2.690 7.530 1.00 22.13 C ATOM 509 O VAL A 35 23.376 1.956 8.441 1.00 63.22 O ATOM 510 CB VAL A 35 23.801 1.483 5.346 1.00 31.02 C ATOM 511 CG1 VAL A 35 22.828 2.483 4.741 1.00 54.00 C ATOM 512 CG2 VAL A 35 24.679 0.863 4.270 1.00 2.00 C ATOM 0 H VAL A 35 25.275 0.489 7.541 1.00 42.14 H new ATOM 0 HA VAL A 35 25.214 2.986 5.979 1.00 41.33 H new ATOM 0 HB VAL A 35 23.222 0.687 5.814 1.00 31.02 H new ATOM 0 HG11 VAL A 35 22.225 1.989 3.979 1.00 54.00 H new ATOM 0 HG12 VAL A 35 22.176 2.875 5.522 1.00 54.00 H new ATOM 0 HG13 VAL A 35 23.384 3.303 4.287 1.00 54.00 H new ATOM 0 HG21 VAL A 35 24.050 0.391 3.515 1.00 2.00 H new ATOM 0 HG22 VAL A 35 25.286 1.639 3.804 1.00 2.00 H new ATOM 0 HG23 VAL A 35 25.331 0.114 4.719 1.00 2.00 H new ATOM 522 N SER A 36 23.421 3.972 7.442 1.00 13.04 N ATOM 523 CA SER A 36 22.561 4.605 8.436 1.00 71.13 C ATOM 524 C SER A 36 21.582 5.569 7.772 1.00 63.01 C ATOM 525 O SER A 36 21.725 5.903 6.596 1.00 44.55 O ATOM 526 CB SER A 36 23.405 5.350 9.471 1.00 21.04 C ATOM 527 OG SER A 36 23.838 6.603 8.971 1.00 71.04 O ATOM 0 H SER A 36 23.728 4.593 6.693 1.00 13.04 H new ATOM 0 HA SER A 36 21.991 3.823 8.938 1.00 71.13 H new ATOM 0 HB2 SER A 36 22.822 5.500 10.380 1.00 21.04 H new ATOM 0 HB3 SER A 36 24.270 4.745 9.743 1.00 21.04 H new ATOM 0 HG SER A 36 24.374 7.060 9.653 1.00 71.04 H new ATOM 533 N ILE A 37 20.588 6.011 8.535 1.00 44.53 N ATOM 534 CA ILE A 37 19.587 6.938 8.022 1.00 75.43 C ATOM 535 C ILE A 37 19.747 8.321 8.643 1.00 23.11 C ATOM 536 O ILE A 37 20.191 8.453 9.784 1.00 71.53 O ATOM 537 CB ILE A 37 18.158 6.429 8.292 1.00 24.43 C ATOM 538 CG1 ILE A 37 17.641 6.978 9.623 1.00 1.41 C ATOM 539 CG2 ILE A 37 18.130 4.907 8.294 1.00 12.54 C ATOM 540 CD1 ILE A 37 18.350 6.405 10.830 1.00 35.32 C ATOM 0 H ILE A 37 20.454 5.742 9.510 1.00 44.53 H new ATOM 0 HA ILE A 37 19.743 7.006 6.945 1.00 75.43 H new ATOM 0 HB ILE A 37 17.504 6.784 7.495 1.00 24.43 H new ATOM 0 HG12 ILE A 37 17.753 8.062 9.627 1.00 1.41 H new ATOM 0 HG13 ILE A 37 16.575 6.767 9.704 1.00 1.41 H new ATOM 0 HG21 ILE A 37 17.114 4.562 8.486 1.00 12.54 H new ATOM 0 HG22 ILE A 37 18.462 4.536 7.325 1.00 12.54 H new ATOM 0 HG23 ILE A 37 18.794 4.532 9.073 1.00 12.54 H new ATOM 0 HD11 ILE A 37 17.932 6.839 11.738 1.00 35.32 H new ATOM 0 HD12 ILE A 37 18.217 5.323 10.851 1.00 35.32 H new ATOM 0 HD13 ILE A 37 19.413 6.639 10.773 1.00 35.32 H new ATOM 552 N SER A 38 19.382 9.350 7.885 1.00 10.14 N ATOM 553 CA SER A 38 19.487 10.725 8.361 1.00 64.43 C ATOM 554 C SER A 38 19.000 11.705 7.299 1.00 54.52 C ATOM 555 O SER A 38 18.511 11.303 6.244 1.00 44.44 O ATOM 556 CB SER A 38 20.934 11.045 8.741 1.00 0.44 C ATOM 557 OG SER A 38 21.575 11.794 7.723 1.00 23.13 O ATOM 0 H SER A 38 19.011 9.258 6.939 1.00 10.14 H new ATOM 0 HA SER A 38 18.855 10.828 9.243 1.00 64.43 H new ATOM 0 HB2 SER A 38 20.952 11.606 9.676 1.00 0.44 H new ATOM 0 HB3 SER A 38 21.481 10.118 8.914 1.00 0.44 H new ATOM 0 HG SER A 38 22.498 11.987 7.991 1.00 23.13 H new ATOM 563 N GLY A 39 19.136 12.996 7.587 1.00 12.42 N ATOM 564 CA GLY A 39 18.705 14.016 6.648 1.00 34.44 C ATOM 565 C GLY A 39 18.285 15.299 7.338 1.00 62.31 C ATOM 566 O GLY A 39 18.224 16.356 6.713 1.00 51.44 O ATOM 0 H GLY A 39 19.537 13.354 8.454 1.00 12.42 H new ATOM 0 HA2 GLY A 39 19.516 14.230 5.952 1.00 34.44 H new ATOM 0 HA3 GLY A 39 17.871 13.634 6.059 1.00 34.44 H new ATOM 570 N GLY A 40 17.994 15.206 8.632 1.00 74.41 N ATOM 571 CA GLY A 40 17.579 16.375 9.385 1.00 25.00 C ATOM 572 C GLY A 40 17.839 16.229 10.871 1.00 14.04 C ATOM 573 O GLY A 40 18.978 16.343 11.324 1.00 73.21 O ATOM 0 H GLY A 40 18.038 14.342 9.172 1.00 74.41 H new ATOM 0 HA2 GLY A 40 18.108 17.251 9.011 1.00 25.00 H new ATOM 0 HA3 GLY A 40 16.516 16.551 9.221 1.00 25.00 H new ATOM 577 N SER A 41 16.779 15.978 11.633 1.00 31.04 N ATOM 578 CA SER A 41 16.896 15.822 13.079 1.00 63.15 C ATOM 579 C SER A 41 16.214 14.539 13.544 1.00 64.25 C ATOM 580 O SER A 41 15.390 13.968 12.831 1.00 33.44 O ATOM 581 CB SER A 41 16.283 17.027 13.794 1.00 2.04 C ATOM 582 OG SER A 41 17.093 18.179 13.638 1.00 1.31 O ATOM 0 H SER A 41 15.830 15.878 11.274 1.00 31.04 H new ATOM 0 HA SER A 41 17.955 15.761 13.329 1.00 63.15 H new ATOM 0 HB2 SER A 41 15.287 17.222 13.396 1.00 2.04 H new ATOM 0 HB3 SER A 41 16.164 16.803 14.854 1.00 2.04 H new ATOM 0 HG SER A 41 16.678 18.936 14.103 1.00 1.31 H new ATOM 588 N GLY A 42 16.566 14.091 14.745 1.00 11.02 N ATOM 589 CA GLY A 42 15.979 12.879 15.286 1.00 64.31 C ATOM 590 C GLY A 42 14.467 12.951 15.364 1.00 4.24 C ATOM 591 O GLY A 42 13.914 13.495 16.320 1.00 0.41 O ATOM 0 H GLY A 42 17.247 14.546 15.353 1.00 11.02 H new ATOM 0 HA2 GLY A 42 16.268 12.031 14.665 1.00 64.31 H new ATOM 0 HA3 GLY A 42 16.383 12.697 16.282 1.00 64.31 H new ATOM 595 N ASP A 43 13.797 12.403 14.357 1.00 44.12 N ATOM 596 CA ASP A 43 12.340 12.408 14.315 1.00 13.41 C ATOM 597 C ASP A 43 11.800 11.019 13.991 1.00 22.44 C ATOM 598 O ASP A 43 10.782 10.595 14.537 1.00 21.33 O ATOM 599 CB ASP A 43 11.841 13.417 13.279 1.00 65.45 C ATOM 600 CG ASP A 43 10.750 14.316 13.824 1.00 53.11 C ATOM 601 OD1 ASP A 43 9.598 13.847 13.940 1.00 43.41 O ATOM 602 OD2 ASP A 43 11.047 15.489 14.134 1.00 54.11 O ATOM 0 H ASP A 43 14.240 11.949 13.558 1.00 44.12 H new ATOM 0 HA ASP A 43 11.975 12.699 15.300 1.00 13.41 H new ATOM 0 HB2 ASP A 43 12.677 14.029 12.941 1.00 65.45 H new ATOM 0 HB3 ASP A 43 11.465 12.882 12.407 1.00 65.45 H new ATOM 607 N ALA A 44 12.490 10.315 13.099 1.00 35.02 N ATOM 608 CA ALA A 44 12.080 8.973 12.704 1.00 43.15 C ATOM 609 C ALA A 44 13.103 7.933 13.149 1.00 10.51 C ATOM 610 O ALA A 44 14.274 8.001 12.776 1.00 41.14 O ATOM 611 CB ALA A 44 11.878 8.906 11.197 1.00 63.30 C ATOM 0 H ALA A 44 13.335 10.652 12.637 1.00 35.02 H new ATOM 0 HA ALA A 44 11.134 8.748 13.197 1.00 43.15 H new ATOM 0 HB1 ALA A 44 11.572 7.898 10.915 1.00 63.30 H new ATOM 0 HB2 ALA A 44 11.105 9.616 10.902 1.00 63.30 H new ATOM 0 HB3 ALA A 44 12.812 9.156 10.693 1.00 63.30 H new ATOM 617 N ASP A 45 12.653 6.973 13.950 1.00 43.44 N ATOM 618 CA ASP A 45 13.530 5.919 14.446 1.00 33.20 C ATOM 619 C ASP A 45 13.583 4.751 13.466 1.00 20.45 C ATOM 620 O ASP A 45 12.692 4.585 12.632 1.00 44.12 O ATOM 621 CB ASP A 45 13.052 5.431 15.815 1.00 51.52 C ATOM 622 CG ASP A 45 11.567 5.125 15.834 1.00 24.33 C ATOM 623 OD1 ASP A 45 11.123 4.289 15.019 1.00 21.34 O ATOM 624 OD2 ASP A 45 10.850 5.720 16.665 1.00 72.21 O ATOM 0 H ASP A 45 11.687 6.903 14.269 1.00 43.44 H new ATOM 0 HA ASP A 45 14.534 6.332 14.546 1.00 33.20 H new ATOM 0 HB2 ASP A 45 13.608 4.536 16.093 1.00 51.52 H new ATOM 0 HB3 ASP A 45 13.273 6.190 16.566 1.00 51.52 H new ATOM 629 N LEU A 46 14.633 3.944 13.573 1.00 72.41 N ATOM 630 CA LEU A 46 14.803 2.790 12.696 1.00 45.52 C ATOM 631 C LEU A 46 14.903 1.501 13.505 1.00 52.05 C ATOM 632 O LEU A 46 15.674 1.413 14.460 1.00 45.50 O ATOM 633 CB LEU A 46 16.055 2.962 11.833 1.00 54.24 C ATOM 634 CG LEU A 46 16.701 1.673 11.323 1.00 14.40 C ATOM 635 CD1 LEU A 46 17.357 1.904 9.971 1.00 72.34 C ATOM 636 CD2 LEU A 46 17.717 1.152 12.329 1.00 55.10 C ATOM 0 H LEU A 46 15.379 4.067 14.258 1.00 72.41 H new ATOM 0 HA LEU A 46 13.928 2.724 12.049 1.00 45.52 H new ATOM 0 HB2 LEU A 46 15.797 3.580 10.973 1.00 54.24 H new ATOM 0 HB3 LEU A 46 16.797 3.513 12.411 1.00 54.24 H new ATOM 0 HG LEU A 46 15.921 0.921 11.202 1.00 14.40 H new ATOM 0 HD11 LEU A 46 17.811 0.976 9.624 1.00 72.34 H new ATOM 0 HD12 LEU A 46 16.605 2.231 9.253 1.00 72.34 H new ATOM 0 HD13 LEU A 46 18.126 2.671 10.066 1.00 72.34 H new ATOM 0 HD21 LEU A 46 18.167 0.234 11.950 1.00 55.10 H new ATOM 0 HD22 LEU A 46 18.494 1.901 12.482 1.00 55.10 H new ATOM 0 HD23 LEU A 46 17.219 0.947 13.277 1.00 55.10 H new ATOM 648 N TYR A 47 14.119 0.502 13.114 1.00 10.31 N ATOM 649 CA TYR A 47 14.118 -0.783 13.803 1.00 44.12 C ATOM 650 C TYR A 47 14.374 -1.925 12.825 1.00 62.34 C ATOM 651 O TYR A 47 13.983 -1.859 11.658 1.00 25.43 O ATOM 652 CB TYR A 47 12.785 -1.000 14.520 1.00 21.14 C ATOM 653 CG TYR A 47 12.584 -0.091 15.712 1.00 32.51 C ATOM 654 CD1 TYR A 47 13.235 -0.336 16.915 1.00 61.42 C ATOM 655 CD2 TYR A 47 11.742 1.011 15.636 1.00 72.01 C ATOM 656 CE1 TYR A 47 13.054 0.491 18.007 1.00 72.54 C ATOM 657 CE2 TYR A 47 11.556 1.844 16.722 1.00 53.10 C ATOM 658 CZ TYR A 47 12.214 1.580 17.905 1.00 34.41 C ATOM 659 OH TYR A 47 12.030 2.406 18.990 1.00 53.33 O ATOM 0 H TYR A 47 13.476 0.558 12.324 1.00 10.31 H new ATOM 0 HA TYR A 47 14.921 -0.772 14.540 1.00 44.12 H new ATOM 0 HB2 TYR A 47 11.971 -0.842 13.812 1.00 21.14 H new ATOM 0 HB3 TYR A 47 12.724 -2.037 14.850 1.00 21.14 H new ATOM 0 HD1 TYR A 47 13.894 -1.188 16.998 1.00 61.42 H new ATOM 0 HD2 TYR A 47 11.224 1.220 14.712 1.00 72.01 H new ATOM 0 HE1 TYR A 47 13.567 0.286 18.935 1.00 72.54 H new ATOM 0 HE2 TYR A 47 10.899 2.698 16.645 1.00 53.10 H new ATOM 0 HH TYR A 47 11.409 3.126 18.752 1.00 53.33 H new ATOM 669 N LEU A 48 15.033 -2.973 13.308 1.00 14.11 N ATOM 670 CA LEU A 48 15.341 -4.132 12.478 1.00 23.21 C ATOM 671 C LEU A 48 15.246 -5.422 13.287 1.00 55.12 C ATOM 672 O LEU A 48 15.742 -5.502 14.410 1.00 4.55 O ATOM 673 CB LEU A 48 16.742 -3.996 11.878 1.00 74.03 C ATOM 674 CG LEU A 48 16.935 -4.593 10.483 1.00 0.32 C ATOM 675 CD1 LEU A 48 18.335 -4.298 9.966 1.00 35.30 C ATOM 676 CD2 LEU A 48 16.677 -6.092 10.504 1.00 33.22 C ATOM 0 H LEU A 48 15.364 -3.044 14.270 1.00 14.11 H new ATOM 0 HA LEU A 48 14.609 -4.175 11.672 1.00 23.21 H new ATOM 0 HB2 LEU A 48 16.997 -2.937 11.837 1.00 74.03 H new ATOM 0 HB3 LEU A 48 17.453 -4.469 12.555 1.00 74.03 H new ATOM 0 HG LEU A 48 16.215 -4.131 9.808 1.00 0.32 H new ATOM 0 HD11 LEU A 48 18.455 -4.730 8.973 1.00 35.30 H new ATOM 0 HD12 LEU A 48 18.483 -3.219 9.913 1.00 35.30 H new ATOM 0 HD13 LEU A 48 19.072 -4.733 10.642 1.00 35.30 H new ATOM 0 HD21 LEU A 48 16.819 -6.500 9.503 1.00 33.22 H new ATOM 0 HD22 LEU A 48 17.372 -6.571 11.193 1.00 33.22 H new ATOM 0 HD23 LEU A 48 15.654 -6.281 10.831 1.00 33.22 H new ATOM 688 N LYS A 49 14.605 -6.432 12.707 1.00 2.50 N ATOM 689 CA LYS A 49 14.447 -7.720 13.371 1.00 14.10 C ATOM 690 C LYS A 49 14.531 -8.864 12.366 1.00 71.11 C ATOM 691 O LYS A 49 13.689 -8.985 11.477 1.00 51.44 O ATOM 692 CB LYS A 49 13.108 -7.774 14.111 1.00 60.33 C ATOM 693 CG LYS A 49 13.237 -8.155 15.575 1.00 25.34 C ATOM 694 CD LYS A 49 12.029 -8.942 16.056 1.00 45.12 C ATOM 695 CE LYS A 49 12.120 -9.250 17.543 1.00 42.24 C ATOM 696 NZ LYS A 49 13.224 -10.203 17.845 1.00 12.33 N ATOM 0 H LYS A 49 14.187 -6.383 11.778 1.00 2.50 H new ATOM 0 HA LYS A 49 15.258 -7.832 14.091 1.00 14.10 H new ATOM 0 HB2 LYS A 49 12.623 -6.800 14.039 1.00 60.33 H new ATOM 0 HB3 LYS A 49 12.456 -8.492 13.613 1.00 60.33 H new ATOM 0 HG2 LYS A 49 14.140 -8.749 15.719 1.00 25.34 H new ATOM 0 HG3 LYS A 49 13.349 -7.254 16.178 1.00 25.34 H new ATOM 0 HD2 LYS A 49 11.120 -8.374 15.856 1.00 45.12 H new ATOM 0 HD3 LYS A 49 11.953 -9.873 15.495 1.00 45.12 H new ATOM 0 HE2 LYS A 49 12.277 -8.324 18.097 1.00 42.24 H new ATOM 0 HE3 LYS A 49 11.174 -9.669 17.886 1.00 42.24 H new ATOM 0 HZ1 LYS A 49 13.190 -10.466 18.851 1.00 12.33 H new ATOM 0 HZ2 LYS A 49 13.116 -11.056 17.260 1.00 12.33 H new ATOM 0 HZ3 LYS A 49 14.138 -9.753 17.636 1.00 12.33 H new ATOM 710 N ALA A 50 15.551 -9.702 12.515 1.00 64.45 N ATOM 711 CA ALA A 50 15.743 -10.839 11.622 1.00 51.42 C ATOM 712 C ALA A 50 14.562 -11.800 11.696 1.00 31.43 C ATOM 713 O ALA A 50 14.249 -12.334 12.760 1.00 44.11 O ATOM 714 CB ALA A 50 17.038 -11.563 11.959 1.00 12.44 C ATOM 0 H ALA A 50 16.258 -9.615 13.246 1.00 64.45 H new ATOM 0 HA ALA A 50 15.807 -10.461 10.602 1.00 51.42 H new ATOM 0 HB1 ALA A 50 17.168 -12.409 11.284 1.00 12.44 H new ATOM 0 HB2 ALA A 50 17.878 -10.877 11.847 1.00 12.44 H new ATOM 0 HB3 ALA A 50 16.997 -11.922 12.987 1.00 12.44 H new ATOM 720 N GLY A 51 13.908 -12.017 10.559 1.00 40.11 N ATOM 721 CA GLY A 51 12.768 -12.914 10.518 1.00 51.11 C ATOM 722 C GLY A 51 11.446 -12.172 10.534 1.00 30.40 C ATOM 723 O GLY A 51 10.824 -11.976 9.490 1.00 11.12 O ATOM 0 H GLY A 51 14.147 -11.587 9.665 1.00 40.11 H new ATOM 0 HA2 GLY A 51 12.825 -13.529 9.620 1.00 51.11 H new ATOM 0 HA3 GLY A 51 12.811 -13.591 11.371 1.00 51.11 H new ATOM 727 N SER A 52 11.015 -11.761 11.722 1.00 15.10 N ATOM 728 CA SER A 52 9.755 -11.042 11.871 1.00 53.33 C ATOM 729 C SER A 52 9.994 -9.537 11.948 1.00 41.12 C ATOM 730 O SER A 52 11.129 -9.071 11.849 1.00 4.22 O ATOM 731 CB SER A 52 9.016 -11.517 13.124 1.00 65.05 C ATOM 732 OG SER A 52 8.771 -12.912 13.072 1.00 13.34 O ATOM 0 H SER A 52 11.520 -11.913 12.595 1.00 15.10 H new ATOM 0 HA SER A 52 9.141 -11.251 10.995 1.00 53.33 H new ATOM 0 HB2 SER A 52 9.606 -11.281 14.010 1.00 65.05 H new ATOM 0 HB3 SER A 52 8.071 -10.982 13.218 1.00 65.05 H new ATOM 0 HG SER A 52 8.299 -13.192 13.884 1.00 13.34 H new ATOM 738 N LYS A 53 8.916 -8.781 12.125 1.00 72.12 N ATOM 739 CA LYS A 53 9.006 -7.329 12.217 1.00 55.32 C ATOM 740 C LYS A 53 9.206 -6.886 13.663 1.00 74.52 C ATOM 741 O LYS A 53 8.538 -7.363 14.581 1.00 23.30 O ATOM 742 CB LYS A 53 7.742 -6.682 11.645 1.00 42.24 C ATOM 743 CG LYS A 53 6.551 -6.737 12.585 1.00 31.43 C ATOM 744 CD LYS A 53 6.447 -5.478 13.429 1.00 43.11 C ATOM 745 CE LYS A 53 5.475 -4.479 12.821 1.00 14.44 C ATOM 746 NZ LYS A 53 4.117 -4.590 13.423 1.00 20.01 N ATOM 0 H LYS A 53 7.969 -9.150 12.208 1.00 72.12 H new ATOM 0 HA LYS A 53 9.869 -7.006 11.634 1.00 55.32 H new ATOM 0 HB2 LYS A 53 7.955 -5.641 11.403 1.00 42.24 H new ATOM 0 HB3 LYS A 53 7.480 -7.180 10.711 1.00 42.24 H new ATOM 0 HG2 LYS A 53 5.636 -6.865 12.007 1.00 31.43 H new ATOM 0 HG3 LYS A 53 6.641 -7.606 13.236 1.00 31.43 H new ATOM 0 HD2 LYS A 53 6.120 -5.739 14.435 1.00 43.11 H new ATOM 0 HD3 LYS A 53 7.431 -5.019 13.523 1.00 43.11 H new ATOM 0 HE2 LYS A 53 5.855 -3.468 12.966 1.00 14.44 H new ATOM 0 HE3 LYS A 53 5.410 -4.644 11.745 1.00 14.44 H new ATOM 0 HZ1 LYS A 53 3.484 -3.893 12.982 1.00 20.01 H new ATOM 0 HZ2 LYS A 53 3.743 -5.547 13.263 1.00 20.01 H new ATOM 0 HZ3 LYS A 53 4.174 -4.408 14.445 1.00 20.01 H new ATOM 760 N PRO A 54 10.145 -5.952 13.872 1.00 32.13 N ATOM 761 CA PRO A 54 10.453 -5.424 15.205 1.00 54.34 C ATOM 762 C PRO A 54 9.327 -4.557 15.759 1.00 41.35 C ATOM 763 O PRO A 54 8.676 -3.819 15.019 1.00 54.44 O ATOM 764 CB PRO A 54 11.710 -4.583 14.971 1.00 50.31 C ATOM 765 CG PRO A 54 11.643 -4.192 13.535 1.00 62.43 C ATOM 766 CD PRO A 54 10.978 -5.339 12.825 1.00 64.05 C ATOM 0 HA PRO A 54 10.586 -6.219 15.938 1.00 54.34 H new ATOM 0 HB2 PRO A 54 11.726 -3.707 15.619 1.00 50.31 H new ATOM 0 HB3 PRO A 54 12.614 -5.154 15.184 1.00 50.31 H new ATOM 0 HG2 PRO A 54 11.074 -3.271 13.407 1.00 62.43 H new ATOM 0 HG3 PRO A 54 12.640 -4.009 13.133 1.00 62.43 H new ATOM 0 HD2 PRO A 54 10.377 -4.996 11.983 1.00 64.05 H new ATOM 0 HD3 PRO A 54 11.709 -6.044 12.429 1.00 64.05 H new ATOM 774 N THR A 55 9.103 -4.650 17.066 1.00 51.23 N ATOM 775 CA THR A 55 8.056 -3.875 17.719 1.00 52.43 C ATOM 776 C THR A 55 8.644 -2.708 18.503 1.00 11.54 C ATOM 777 O THR A 55 9.861 -2.528 18.551 1.00 43.32 O ATOM 778 CB THR A 55 7.220 -4.750 18.672 1.00 41.04 C ATOM 779 OG1 THR A 55 7.818 -4.766 19.973 1.00 72.23 O ATOM 780 CG2 THR A 55 7.108 -6.172 18.142 1.00 54.52 C ATOM 0 H THR A 55 9.633 -5.255 17.693 1.00 51.23 H new ATOM 0 HA THR A 55 7.409 -3.490 16.930 1.00 52.43 H new ATOM 0 HB THR A 55 6.219 -4.324 18.738 1.00 41.04 H new ATOM 0 HG1 THR A 55 7.280 -5.323 20.574 1.00 72.23 H new ATOM 0 HG21 THR A 55 6.513 -6.771 18.831 1.00 54.52 H new ATOM 0 HG22 THR A 55 6.626 -6.159 17.164 1.00 54.52 H new ATOM 0 HG23 THR A 55 8.104 -6.606 18.050 1.00 54.52 H new ATOM 788 N THR A 56 7.772 -1.915 19.120 1.00 70.52 N ATOM 789 CA THR A 56 8.205 -0.765 19.903 1.00 41.14 C ATOM 790 C THR A 56 9.007 -1.201 21.123 1.00 2.03 C ATOM 791 O THR A 56 9.679 -0.389 21.759 1.00 41.30 O ATOM 792 CB THR A 56 7.006 0.083 20.367 1.00 75.44 C ATOM 793 OG1 THR A 56 6.138 -0.705 21.190 1.00 61.34 O ATOM 794 CG2 THR A 56 6.230 0.621 19.174 1.00 40.40 C ATOM 0 H THR A 56 6.761 -2.049 19.092 1.00 70.52 H new ATOM 0 HA THR A 56 8.838 -0.161 19.253 1.00 41.14 H new ATOM 0 HB THR A 56 7.387 0.926 20.943 1.00 75.44 H new ATOM 0 HG1 THR A 56 5.379 -0.158 21.482 1.00 61.34 H new ATOM 0 HG21 THR A 56 5.388 1.217 19.526 1.00 40.40 H new ATOM 0 HG22 THR A 56 6.885 1.244 18.565 1.00 40.40 H new ATOM 0 HG23 THR A 56 5.860 -0.211 18.575 1.00 40.40 H new ATOM 802 N SER A 57 8.933 -2.488 21.445 1.00 20.45 N ATOM 803 CA SER A 57 9.650 -3.032 22.593 1.00 44.12 C ATOM 804 C SER A 57 10.629 -4.118 22.157 1.00 71.21 C ATOM 805 O SER A 57 11.639 -4.361 22.818 1.00 52.14 O ATOM 806 CB SER A 57 8.664 -3.599 23.616 1.00 42.41 C ATOM 807 OG SER A 57 9.339 -4.060 24.774 1.00 50.24 O ATOM 0 H SER A 57 8.384 -3.174 20.927 1.00 20.45 H new ATOM 0 HA SER A 57 10.215 -2.222 23.054 1.00 44.12 H new ATOM 0 HB2 SER A 57 7.942 -2.831 23.894 1.00 42.41 H new ATOM 0 HB3 SER A 57 8.102 -4.419 23.168 1.00 42.41 H new ATOM 0 HG SER A 57 8.687 -4.416 25.413 1.00 50.24 H new ATOM 813 N SER A 58 10.321 -4.769 21.040 1.00 64.15 N ATOM 814 CA SER A 58 11.171 -5.833 20.516 1.00 13.40 C ATOM 815 C SER A 58 11.997 -5.336 19.333 1.00 14.33 C ATOM 816 O SER A 58 11.455 -4.804 18.364 1.00 1.32 O ATOM 817 CB SER A 58 10.320 -7.031 20.091 1.00 51.11 C ATOM 818 OG SER A 58 10.678 -8.194 20.817 1.00 12.23 O ATOM 0 H SER A 58 9.490 -4.579 20.480 1.00 64.15 H new ATOM 0 HA SER A 58 11.853 -6.143 21.308 1.00 13.40 H new ATOM 0 HB2 SER A 58 9.265 -6.808 20.253 1.00 51.11 H new ATOM 0 HB3 SER A 58 10.447 -7.211 19.024 1.00 51.11 H new ATOM 0 HG SER A 58 10.119 -8.945 20.528 1.00 12.23 H new ATOM 824 N TRP A 59 13.310 -5.513 19.421 1.00 33.41 N ATOM 825 CA TRP A 59 14.212 -5.083 18.359 1.00 74.35 C ATOM 826 C TRP A 59 15.461 -5.957 18.318 1.00 54.11 C ATOM 827 O TRP A 59 15.860 -6.532 19.330 1.00 31.43 O ATOM 828 CB TRP A 59 14.605 -3.619 18.557 1.00 11.41 C ATOM 829 CG TRP A 59 14.322 -3.110 19.938 1.00 11.51 C ATOM 830 CD1 TRP A 59 13.176 -2.505 20.370 1.00 71.30 C ATOM 831 CD2 TRP A 59 15.202 -3.159 21.067 1.00 54.14 C ATOM 832 NE1 TRP A 59 13.290 -2.176 21.699 1.00 2.11 N ATOM 833 CE2 TRP A 59 14.523 -2.567 22.150 1.00 61.10 C ATOM 834 CE3 TRP A 59 16.495 -3.647 21.268 1.00 24.10 C ATOM 835 CZ2 TRP A 59 15.097 -2.451 23.413 1.00 11.32 C ATOM 836 CZ3 TRP A 59 17.064 -3.531 22.522 1.00 14.53 C ATOM 837 CH2 TRP A 59 16.365 -2.937 23.582 1.00 73.11 C ATOM 0 H TRP A 59 13.774 -5.951 20.217 1.00 33.41 H new ATOM 0 HA TRP A 59 13.689 -5.186 17.408 1.00 74.35 H new ATOM 0 HB2 TRP A 59 15.668 -3.504 18.346 1.00 11.41 H new ATOM 0 HB3 TRP A 59 14.068 -3.005 17.834 1.00 11.41 H new ATOM 0 HD1 TRP A 59 12.308 -2.313 19.757 1.00 71.30 H new ATOM 0 HE1 TRP A 59 12.573 -1.715 22.259 1.00 2.11 H new ATOM 0 HE3 TRP A 59 17.041 -4.107 20.457 1.00 24.10 H new ATOM 0 HZ2 TRP A 59 14.560 -1.993 24.231 1.00 11.32 H new ATOM 0 HZ3 TRP A 59 18.064 -3.904 22.688 1.00 14.53 H new ATOM 0 HH2 TRP A 59 16.836 -2.861 24.551 1.00 73.11 H new ATOM 848 N ASP A 60 16.073 -6.051 17.143 1.00 62.30 N ATOM 849 CA ASP A 60 17.278 -6.854 16.971 1.00 24.24 C ATOM 850 C ASP A 60 18.489 -5.966 16.698 1.00 35.43 C ATOM 851 O ASP A 60 19.628 -6.355 16.960 1.00 74.13 O ATOM 852 CB ASP A 60 17.094 -7.852 15.827 1.00 34.01 C ATOM 853 CG ASP A 60 18.116 -8.971 15.864 1.00 50.13 C ATOM 854 OD1 ASP A 60 19.224 -8.779 15.321 1.00 21.41 O ATOM 855 OD2 ASP A 60 17.808 -10.038 16.434 1.00 34.43 O ATOM 0 H ASP A 60 15.755 -5.581 16.295 1.00 62.30 H new ATOM 0 HA ASP A 60 17.453 -7.403 17.896 1.00 24.24 H new ATOM 0 HB2 ASP A 60 16.092 -8.278 15.878 1.00 34.01 H new ATOM 0 HB3 ASP A 60 17.169 -7.327 14.875 1.00 34.01 H new ATOM 860 N CYS A 61 18.234 -4.774 16.171 1.00 70.45 N ATOM 861 CA CYS A 61 19.303 -3.832 15.860 1.00 51.31 C ATOM 862 C CYS A 61 18.860 -2.398 16.133 1.00 53.04 C ATOM 863 O CYS A 61 17.852 -1.937 15.596 1.00 2.44 O ATOM 864 CB CYS A 61 19.731 -3.977 14.399 1.00 55.13 C ATOM 865 SG CYS A 61 20.270 -5.643 13.950 1.00 73.34 S ATOM 0 H CYS A 61 17.297 -4.437 15.950 1.00 70.45 H new ATOM 0 HA CYS A 61 20.153 -4.060 16.504 1.00 51.31 H new ATOM 0 HB2 CYS A 61 18.898 -3.691 13.757 1.00 55.13 H new ATOM 0 HB3 CYS A 61 20.543 -3.278 14.198 1.00 55.13 H new ATOM 0 HG CYS A 61 20.346 -6.378 15.020 1.00 73.34 H new ATOM 871 N ARG A 62 19.618 -1.699 16.971 1.00 61.12 N ATOM 872 CA ARG A 62 19.302 -0.319 17.317 1.00 12.33 C ATOM 873 C ARG A 62 20.371 0.271 18.233 1.00 70.33 C ATOM 874 O ARG A 62 20.607 -0.209 19.342 1.00 54.12 O ATOM 875 CB ARG A 62 17.934 -0.242 17.998 1.00 52.24 C ATOM 876 CG ARG A 62 17.567 1.155 18.472 1.00 61.02 C ATOM 877 CD ARG A 62 16.063 1.312 18.633 1.00 61.32 C ATOM 878 NE ARG A 62 15.707 2.600 19.221 1.00 51.00 N ATOM 879 CZ ARG A 62 15.767 2.855 20.523 1.00 14.03 C ATOM 880 NH1 ARG A 62 16.167 1.915 21.368 1.00 12.25 N ATOM 881 NH2 ARG A 62 15.426 4.052 20.982 1.00 11.44 N ATOM 0 H ARG A 62 20.456 -2.066 17.423 1.00 61.12 H new ATOM 0 HA ARG A 62 19.276 0.263 16.396 1.00 12.33 H new ATOM 0 HB2 ARG A 62 17.171 -0.593 17.303 1.00 52.24 H new ATOM 0 HB3 ARG A 62 17.924 -0.920 18.851 1.00 52.24 H new ATOM 0 HG2 ARG A 62 18.059 1.359 19.423 1.00 61.02 H new ATOM 0 HG3 ARG A 62 17.936 1.891 17.758 1.00 61.02 H new ATOM 0 HD2 ARG A 62 15.582 1.212 17.660 1.00 61.32 H new ATOM 0 HD3 ARG A 62 15.680 0.508 19.262 1.00 61.32 H new ATOM 0 HE ARG A 62 15.395 3.345 18.598 1.00 51.00 H new ATOM 0 HH11 ARG A 62 16.430 0.993 21.019 1.00 12.25 H new ATOM 0 HH12 ARG A 62 16.212 2.113 22.367 1.00 12.25 H new ATOM 0 HH21 ARG A 62 15.117 4.777 20.335 1.00 11.44 H new ATOM 0 HH22 ARG A 62 15.472 4.247 21.982 1.00 11.44 H new ATOM 895 N PRO A 63 21.035 1.336 17.759 1.00 74.43 N ATOM 896 CA PRO A 63 22.089 2.013 18.518 1.00 4.43 C ATOM 897 C PRO A 63 21.541 2.769 19.724 1.00 23.32 C ATOM 898 O PRO A 63 22.301 3.301 20.534 1.00 64.43 O ATOM 899 CB PRO A 63 22.687 2.990 17.502 1.00 33.10 C ATOM 900 CG PRO A 63 21.588 3.242 16.528 1.00 41.10 C ATOM 901 CD PRO A 63 20.806 1.960 16.445 1.00 11.40 C ATOM 0 HA PRO A 63 22.812 1.308 18.929 1.00 4.43 H new ATOM 0 HB2 PRO A 63 23.009 3.913 17.983 1.00 33.10 H new ATOM 0 HB3 PRO A 63 23.562 2.564 17.011 1.00 33.10 H new ATOM 0 HG2 PRO A 63 20.954 4.065 16.859 1.00 41.10 H new ATOM 0 HG3 PRO A 63 21.987 3.519 15.552 1.00 41.10 H new ATOM 0 HD2 PRO A 63 19.747 2.146 16.267 1.00 11.40 H new ATOM 0 HD3 PRO A 63 21.159 1.326 15.632 1.00 11.40 H new ATOM 909 N TYR A 64 20.219 2.812 19.838 1.00 34.42 N ATOM 910 CA TYR A 64 19.569 3.504 20.945 1.00 71.21 C ATOM 911 C TYR A 64 19.781 5.011 20.844 1.00 1.34 C ATOM 912 O TYR A 64 20.348 5.631 21.744 1.00 24.13 O ATOM 913 CB TYR A 64 20.106 2.990 22.281 1.00 25.25 C ATOM 914 CG TYR A 64 20.246 1.485 22.340 1.00 52.41 C ATOM 915 CD1 TYR A 64 19.139 0.674 22.556 1.00 31.41 C ATOM 916 CD2 TYR A 64 21.484 0.876 22.180 1.00 71.31 C ATOM 917 CE1 TYR A 64 19.261 -0.701 22.611 1.00 63.31 C ATOM 918 CE2 TYR A 64 21.615 -0.498 22.232 1.00 64.42 C ATOM 919 CZ TYR A 64 20.501 -1.283 22.448 1.00 45.43 C ATOM 920 OH TYR A 64 20.629 -2.652 22.501 1.00 14.34 O ATOM 0 H TYR A 64 19.576 2.376 19.177 1.00 34.42 H new ATOM 0 HA TYR A 64 18.499 3.301 20.890 1.00 71.21 H new ATOM 0 HB2 TYR A 64 21.078 3.444 22.471 1.00 25.25 H new ATOM 0 HB3 TYR A 64 19.440 3.316 23.080 1.00 25.25 H new ATOM 0 HD1 TYR A 64 18.166 1.126 22.683 1.00 31.41 H new ATOM 0 HD2 TYR A 64 22.359 1.487 22.012 1.00 71.31 H new ATOM 0 HE1 TYR A 64 18.390 -1.317 22.781 1.00 63.31 H new ATOM 0 HE2 TYR A 64 22.585 -0.956 22.104 1.00 64.42 H new ATOM 0 HH TYR A 64 21.568 -2.898 22.366 1.00 14.34 H new ATOM 930 N ARG A 65 19.321 5.595 19.743 1.00 74.12 N ATOM 931 CA ARG A 65 19.460 7.029 19.523 1.00 53.42 C ATOM 932 C ARG A 65 18.092 7.699 19.424 1.00 3.40 C ATOM 933 O ARG A 65 17.062 7.070 19.666 1.00 23.22 O ATOM 934 CB ARG A 65 20.263 7.296 18.249 1.00 64.02 C ATOM 935 CG ARG A 65 21.563 8.044 18.494 1.00 4.41 C ATOM 936 CD ARG A 65 22.527 7.225 19.339 1.00 51.24 C ATOM 937 NE ARG A 65 23.896 7.727 19.249 1.00 34.30 N ATOM 938 CZ ARG A 65 24.645 7.626 18.157 1.00 23.51 C ATOM 939 NH1 ARG A 65 24.161 7.045 17.068 1.00 62.20 N ATOM 940 NH2 ARG A 65 25.882 8.106 18.153 1.00 0.41 N ATOM 0 H ARG A 65 18.848 5.097 18.989 1.00 74.12 H new ATOM 0 HA ARG A 65 19.992 7.452 20.375 1.00 53.42 H new ATOM 0 HB2 ARG A 65 20.486 6.345 17.765 1.00 64.02 H new ATOM 0 HB3 ARG A 65 19.648 7.870 17.556 1.00 64.02 H new ATOM 0 HG2 ARG A 65 22.030 8.286 17.539 1.00 4.41 H new ATOM 0 HG3 ARG A 65 21.351 8.989 18.994 1.00 4.41 H new ATOM 0 HD2 ARG A 65 22.202 7.243 20.379 1.00 51.24 H new ATOM 0 HD3 ARG A 65 22.500 6.185 19.014 1.00 51.24 H new ATOM 0 HE ARG A 65 24.298 8.180 20.070 1.00 34.30 H new ATOM 0 HH11 ARG A 65 23.211 6.674 17.067 1.00 62.20 H new ATOM 0 HH12 ARG A 65 24.739 6.969 16.231 1.00 62.20 H new ATOM 0 HH21 ARG A 65 26.258 8.553 18.989 1.00 0.41 H new ATOM 0 HH22 ARG A 65 26.457 8.028 17.314 1.00 0.41 H new ATOM 954 N TYR A 66 18.091 8.979 19.068 1.00 72.04 N ATOM 955 CA TYR A 66 16.851 9.735 18.940 1.00 51.33 C ATOM 956 C TYR A 66 16.429 9.846 17.478 1.00 54.12 C ATOM 957 O TYR A 66 17.047 10.565 16.694 1.00 61.31 O ATOM 958 CB TYR A 66 17.016 11.132 19.542 1.00 63.34 C ATOM 959 CG TYR A 66 15.753 11.674 20.170 1.00 35.34 C ATOM 960 CD1 TYR A 66 15.269 11.154 21.365 1.00 71.14 C ATOM 961 CD2 TYR A 66 15.043 12.707 19.570 1.00 34.54 C ATOM 962 CE1 TYR A 66 14.114 11.646 21.942 1.00 23.50 C ATOM 963 CE2 TYR A 66 13.888 13.205 20.141 1.00 12.54 C ATOM 964 CZ TYR A 66 13.427 12.671 21.327 1.00 45.41 C ATOM 965 OH TYR A 66 12.278 13.165 21.900 1.00 73.14 O ATOM 0 H TYR A 66 18.935 9.514 18.863 1.00 72.04 H new ATOM 0 HA TYR A 66 16.072 9.201 19.485 1.00 51.33 H new ATOM 0 HB2 TYR A 66 17.803 11.103 20.296 1.00 63.34 H new ATOM 0 HB3 TYR A 66 17.347 11.818 18.762 1.00 63.34 H new ATOM 0 HD1 TYR A 66 15.805 10.352 21.851 1.00 71.14 H new ATOM 0 HD2 TYR A 66 15.400 13.128 18.642 1.00 34.54 H new ATOM 0 HE1 TYR A 66 13.751 11.230 22.870 1.00 23.50 H new ATOM 0 HE2 TYR A 66 13.348 14.008 19.662 1.00 12.54 H new ATOM 0 HH TYR A 66 11.917 13.885 21.341 1.00 73.14 H new ATOM 975 N GLY A 67 15.369 9.128 17.119 1.00 54.24 N ATOM 976 CA GLY A 67 14.880 9.159 15.752 1.00 0.25 C ATOM 977 C GLY A 67 15.978 8.910 14.738 1.00 24.41 C ATOM 978 O GLY A 67 16.725 7.938 14.848 1.00 10.13 O ATOM 0 H GLY A 67 14.840 8.526 17.750 1.00 54.24 H new ATOM 0 HA2 GLY A 67 14.101 8.407 15.631 1.00 0.25 H new ATOM 0 HA3 GLY A 67 14.421 10.128 15.555 1.00 0.25 H new ATOM 982 N ASN A 68 16.076 9.788 13.746 1.00 44.41 N ATOM 983 CA ASN A 68 17.090 9.657 12.706 1.00 44.21 C ATOM 984 C ASN A 68 18.475 9.467 13.317 1.00 2.13 C ATOM 985 O ASN A 68 18.657 9.612 14.525 1.00 15.23 O ATOM 986 CB ASN A 68 17.085 10.891 11.801 1.00 61.33 C ATOM 987 CG ASN A 68 18.049 11.960 12.276 1.00 44.44 C ATOM 988 OD1 ASN A 68 18.180 12.206 13.475 1.00 40.01 O ATOM 989 ND2 ASN A 68 18.731 12.603 11.334 1.00 75.11 N ATOM 0 H ASN A 68 15.466 10.598 13.640 1.00 44.41 H new ATOM 0 HA ASN A 68 16.851 8.776 12.110 1.00 44.21 H new ATOM 0 HB2 ASN A 68 17.347 10.594 10.785 1.00 61.33 H new ATOM 0 HB3 ASN A 68 16.078 11.305 11.762 1.00 61.33 H new ATOM 0 HD21 ASN A 68 19.395 13.333 11.593 1.00 75.11 H new ATOM 0 HD22 ASN A 68 18.591 12.367 10.352 1.00 75.11 H new ATOM 996 N ASN A 69 19.449 9.142 12.473 1.00 1.23 N ATOM 997 CA ASN A 69 20.818 8.932 12.930 1.00 1.32 C ATOM 998 C ASN A 69 20.901 7.729 13.864 1.00 3.05 C ATOM 999 O ASN A 69 21.862 7.583 14.620 1.00 54.21 O ATOM 1000 CB ASN A 69 21.337 10.183 13.643 1.00 22.42 C ATOM 1001 CG ASN A 69 22.852 10.262 13.643 1.00 73.34 C ATOM 1002 OD1 ASN A 69 23.489 10.170 12.593 1.00 33.42 O ATOM 1003 ND2 ASN A 69 23.435 10.433 14.823 1.00 25.10 N ATOM 0 H ASN A 69 19.316 9.018 11.469 1.00 1.23 H new ATOM 0 HA ASN A 69 21.440 8.735 12.057 1.00 1.32 H new ATOM 0 HB2 ASN A 69 20.930 11.070 13.158 1.00 22.42 H new ATOM 0 HB3 ASN A 69 20.976 10.188 14.671 1.00 22.42 H new ATOM 0 HD21 ASN A 69 24.451 10.493 14.886 1.00 25.10 H new ATOM 0 HD22 ASN A 69 22.867 10.504 15.667 1.00 25.10 H new ATOM 1010 N GLU A 70 19.888 6.870 13.806 1.00 44.01 N ATOM 1011 CA GLU A 70 19.848 5.680 14.647 1.00 34.32 C ATOM 1012 C GLU A 70 19.809 4.413 13.797 1.00 52.45 C ATOM 1013 O GLU A 70 18.738 3.881 13.505 1.00 52.20 O ATOM 1014 CB GLU A 70 18.630 5.723 15.572 1.00 14.33 C ATOM 1015 CG GLU A 70 18.417 4.442 16.360 1.00 24.51 C ATOM 1016 CD GLU A 70 17.004 4.312 16.894 1.00 2.45 C ATOM 1017 OE1 GLU A 70 16.582 5.190 17.676 1.00 43.00 O ATOM 1018 OE2 GLU A 70 16.320 3.333 16.530 1.00 22.13 O ATOM 0 H GLU A 70 19.085 6.976 13.186 1.00 44.01 H new ATOM 0 HA GLU A 70 20.755 5.664 15.251 1.00 34.32 H new ATOM 0 HB2 GLU A 70 18.743 6.553 16.269 1.00 14.33 H new ATOM 0 HB3 GLU A 70 17.740 5.925 14.977 1.00 14.33 H new ATOM 0 HG2 GLU A 70 18.640 3.587 15.722 1.00 24.51 H new ATOM 0 HG3 GLU A 70 19.120 4.411 17.192 1.00 24.51 H new ATOM 1025 N SER A 71 20.985 3.937 13.401 1.00 30.22 N ATOM 1026 CA SER A 71 21.086 2.736 12.580 1.00 24.13 C ATOM 1027 C SER A 71 22.148 1.789 13.131 1.00 4.24 C ATOM 1028 O SER A 71 22.918 2.153 14.022 1.00 70.24 O ATOM 1029 CB SER A 71 21.419 3.108 11.134 1.00 22.31 C ATOM 1030 OG SER A 71 20.711 4.266 10.729 1.00 12.34 O ATOM 0 H SER A 71 21.881 4.364 13.635 1.00 30.22 H new ATOM 0 HA SER A 71 20.122 2.227 12.604 1.00 24.13 H new ATOM 0 HB2 SER A 71 22.491 3.281 11.037 1.00 22.31 H new ATOM 0 HB3 SER A 71 21.170 2.277 10.475 1.00 22.31 H new ATOM 0 HG SER A 71 21.022 5.038 11.247 1.00 12.34 H new ATOM 1036 N CYS A 72 22.184 0.574 12.596 1.00 54.10 N ATOM 1037 CA CYS A 72 23.150 -0.427 13.034 1.00 43.42 C ATOM 1038 C CYS A 72 24.037 -0.870 11.875 1.00 41.43 C ATOM 1039 O CYS A 72 23.648 -0.774 10.711 1.00 42.03 O ATOM 1040 CB CYS A 72 22.429 -1.636 13.631 1.00 50.30 C ATOM 1041 SG CYS A 72 23.138 -2.224 15.186 1.00 25.54 S ATOM 0 H CYS A 72 21.555 0.258 11.858 1.00 54.10 H new ATOM 0 HA CYS A 72 23.781 0.024 13.799 1.00 43.42 H new ATOM 0 HB2 CYS A 72 21.383 -1.377 13.796 1.00 50.30 H new ATOM 0 HB3 CYS A 72 22.445 -2.450 12.906 1.00 50.30 H new ATOM 0 HG CYS A 72 22.459 -3.247 15.613 1.00 25.54 H new ATOM 1047 N SER A 73 25.231 -1.353 12.201 1.00 4.03 N ATOM 1048 CA SER A 73 26.176 -1.806 11.187 1.00 43.40 C ATOM 1049 C SER A 73 26.693 -3.204 11.512 1.00 42.15 C ATOM 1050 O SER A 73 27.500 -3.384 12.424 1.00 42.14 O ATOM 1051 CB SER A 73 27.349 -0.828 11.079 1.00 35.44 C ATOM 1052 OG SER A 73 27.606 -0.202 12.324 1.00 52.40 O ATOM 0 H SER A 73 25.567 -1.441 13.160 1.00 4.03 H new ATOM 0 HA SER A 73 25.654 -1.844 10.231 1.00 43.40 H new ATOM 0 HB2 SER A 73 28.240 -1.359 10.744 1.00 35.44 H new ATOM 0 HB3 SER A 73 27.128 -0.071 10.326 1.00 35.44 H new ATOM 0 HG SER A 73 28.360 0.416 12.230 1.00 52.40 H new ATOM 1058 N VAL A 74 26.222 -4.192 10.758 1.00 73.04 N ATOM 1059 CA VAL A 74 26.636 -5.575 10.963 1.00 50.20 C ATOM 1060 C VAL A 74 26.573 -6.366 9.662 1.00 73.44 C ATOM 1061 O VAL A 74 25.750 -6.084 8.790 1.00 3.25 O ATOM 1062 CB VAL A 74 25.758 -6.273 12.019 1.00 43.31 C ATOM 1063 CG1 VAL A 74 26.259 -7.685 12.281 1.00 72.04 C ATOM 1064 CG2 VAL A 74 25.728 -5.462 13.306 1.00 74.13 C ATOM 0 H VAL A 74 25.553 -4.060 9.999 1.00 73.04 H new ATOM 0 HA VAL A 74 27.666 -5.548 11.318 1.00 50.20 H new ATOM 0 HB VAL A 74 24.740 -6.340 11.634 1.00 43.31 H new ATOM 0 HG11 VAL A 74 25.627 -8.162 13.030 1.00 72.04 H new ATOM 0 HG12 VAL A 74 26.224 -8.261 11.356 1.00 72.04 H new ATOM 0 HG13 VAL A 74 27.286 -7.645 12.645 1.00 72.04 H new ATOM 0 HG21 VAL A 74 25.103 -5.969 14.041 1.00 74.13 H new ATOM 0 HG22 VAL A 74 26.741 -5.362 13.697 1.00 74.13 H new ATOM 0 HG23 VAL A 74 25.319 -4.472 13.103 1.00 74.13 H new ATOM 1074 N SER A 75 27.447 -7.360 9.537 1.00 73.13 N ATOM 1075 CA SER A 75 27.493 -8.192 8.340 1.00 53.32 C ATOM 1076 C SER A 75 26.307 -9.151 8.299 1.00 61.01 C ATOM 1077 O SER A 75 26.293 -10.168 8.992 1.00 65.03 O ATOM 1078 CB SER A 75 28.803 -8.980 8.291 1.00 40.12 C ATOM 1079 OG SER A 75 28.919 -9.847 9.406 1.00 55.04 O ATOM 0 H SER A 75 28.133 -7.609 10.250 1.00 73.13 H new ATOM 0 HA SER A 75 27.439 -7.537 7.470 1.00 53.32 H new ATOM 0 HB2 SER A 75 28.848 -9.560 7.369 1.00 40.12 H new ATOM 0 HB3 SER A 75 29.646 -8.289 8.274 1.00 40.12 H new ATOM 0 HG SER A 75 28.030 -10.168 9.664 1.00 55.04 H new ATOM 1085 N ALA A 76 25.313 -8.819 7.482 1.00 42.14 N ATOM 1086 CA ALA A 76 24.124 -9.651 7.348 1.00 53.31 C ATOM 1087 C ALA A 76 24.365 -10.801 6.376 1.00 13.11 C ATOM 1088 O ALA A 76 24.967 -10.617 5.319 1.00 4.01 O ATOM 1089 CB ALA A 76 22.941 -8.810 6.891 1.00 74.21 C ATOM 0 H ALA A 76 25.308 -7.979 6.903 1.00 42.14 H new ATOM 0 HA ALA A 76 23.897 -10.078 8.325 1.00 53.31 H new ATOM 0 HB1 ALA A 76 22.059 -9.444 6.795 1.00 74.21 H new ATOM 0 HB2 ALA A 76 22.747 -8.027 7.624 1.00 74.21 H new ATOM 0 HB3 ALA A 76 23.168 -8.356 5.926 1.00 74.21 H new ATOM 1095 N ALA A 77 23.891 -11.987 6.742 1.00 74.53 N ATOM 1096 CA ALA A 77 24.054 -13.167 5.901 1.00 34.24 C ATOM 1097 C ALA A 77 22.778 -13.466 5.122 1.00 72.35 C ATOM 1098 O ALA A 77 21.664 -13.322 5.627 1.00 64.01 O ATOM 1099 CB ALA A 77 24.451 -14.367 6.748 1.00 73.51 C ATOM 0 H ALA A 77 23.391 -12.157 7.615 1.00 74.53 H new ATOM 0 HA ALA A 77 24.848 -12.964 5.182 1.00 34.24 H new ATOM 0 HB1 ALA A 77 24.569 -15.241 6.108 1.00 73.51 H new ATOM 0 HB2 ALA A 77 25.393 -14.159 7.255 1.00 73.51 H new ATOM 0 HB3 ALA A 77 23.675 -14.562 7.489 1.00 73.51 H new ATOM 1105 N PRO A 78 22.940 -13.892 3.860 1.00 24.42 N ATOM 1106 CA PRO A 78 21.812 -14.220 2.984 1.00 61.43 C ATOM 1107 C PRO A 78 21.087 -15.488 3.422 1.00 31.12 C ATOM 1108 O PRO A 78 21.714 -16.511 3.694 1.00 12.04 O ATOM 1109 CB PRO A 78 22.472 -14.427 1.618 1.00 21.21 C ATOM 1110 CG PRO A 78 23.875 -14.820 1.931 1.00 73.01 C ATOM 1111 CD PRO A 78 24.238 -14.087 3.193 1.00 64.34 C ATOM 0 HA PRO A 78 21.051 -13.440 2.991 1.00 61.43 H new ATOM 0 HB2 PRO A 78 21.962 -15.202 1.045 1.00 21.21 H new ATOM 0 HB3 PRO A 78 22.440 -13.516 1.021 1.00 21.21 H new ATOM 0 HG2 PRO A 78 23.957 -15.898 2.069 1.00 73.01 H new ATOM 0 HG3 PRO A 78 24.547 -14.551 1.116 1.00 73.01 H new ATOM 0 HD2 PRO A 78 24.924 -14.666 3.811 1.00 64.34 H new ATOM 0 HD3 PRO A 78 24.727 -13.136 2.979 1.00 64.34 H new ATOM 1119 N GLY A 79 19.761 -15.413 3.488 1.00 31.41 N ATOM 1120 CA GLY A 79 18.972 -16.562 3.894 1.00 65.11 C ATOM 1121 C GLY A 79 17.895 -16.201 4.897 1.00 2.22 C ATOM 1122 O GLY A 79 16.935 -16.948 5.086 1.00 71.51 O ATOM 0 H GLY A 79 19.219 -14.577 3.268 1.00 31.41 H new ATOM 0 HA2 GLY A 79 18.510 -17.010 3.015 1.00 65.11 H new ATOM 0 HA3 GLY A 79 19.630 -17.316 4.327 1.00 65.11 H new ATOM 1126 N THR A 80 18.054 -15.051 5.545 1.00 12.23 N ATOM 1127 CA THR A 80 17.089 -14.593 6.537 1.00 52.12 C ATOM 1128 C THR A 80 16.405 -13.307 6.086 1.00 70.33 C ATOM 1129 O THR A 80 17.065 -12.345 5.693 1.00 42.20 O ATOM 1130 CB THR A 80 17.758 -14.353 7.903 1.00 2.31 C ATOM 1131 OG1 THR A 80 18.492 -15.516 8.300 1.00 21.35 O ATOM 1132 CG2 THR A 80 16.720 -14.015 8.963 1.00 60.44 C ATOM 0 H THR A 80 18.842 -14.420 5.400 1.00 12.23 H new ATOM 0 HA THR A 80 16.343 -15.381 6.640 1.00 52.12 H new ATOM 0 HB THR A 80 18.441 -13.509 7.805 1.00 2.31 H new ATOM 0 HG1 THR A 80 18.916 -15.355 9.169 1.00 21.35 H new ATOM 0 HG21 THR A 80 17.217 -13.850 9.919 1.00 60.44 H new ATOM 0 HG22 THR A 80 16.184 -13.112 8.672 1.00 60.44 H new ATOM 0 HG23 THR A 80 16.015 -14.841 9.058 1.00 60.44 H new ATOM 1140 N THR A 81 15.077 -13.297 6.145 1.00 52.33 N ATOM 1141 CA THR A 81 14.303 -12.129 5.742 1.00 62.12 C ATOM 1142 C THR A 81 14.439 -11.002 6.759 1.00 43.32 C ATOM 1143 O THR A 81 14.392 -11.233 7.967 1.00 30.41 O ATOM 1144 CB THR A 81 12.812 -12.475 5.572 1.00 13.30 C ATOM 1145 OG1 THR A 81 12.670 -13.653 4.771 1.00 40.14 O ATOM 1146 CG2 THR A 81 12.059 -11.322 4.925 1.00 3.31 C ATOM 0 H THR A 81 14.515 -14.085 6.468 1.00 52.33 H new ATOM 0 HA THR A 81 14.703 -11.800 4.783 1.00 62.12 H new ATOM 0 HB THR A 81 12.389 -12.655 6.560 1.00 13.30 H new ATOM 0 HG1 THR A 81 11.719 -13.867 4.669 1.00 40.14 H new ATOM 0 HG21 THR A 81 11.008 -11.590 4.815 1.00 3.31 H new ATOM 0 HG22 THR A 81 12.144 -10.435 5.552 1.00 3.31 H new ATOM 0 HG23 THR A 81 12.485 -11.115 3.943 1.00 3.31 H new ATOM 1154 N TYR A 82 14.608 -9.781 6.263 1.00 72.14 N ATOM 1155 CA TYR A 82 14.753 -8.617 7.129 1.00 75.22 C ATOM 1156 C TYR A 82 13.521 -7.720 7.047 1.00 61.44 C ATOM 1157 O TYR A 82 12.979 -7.487 5.966 1.00 63.35 O ATOM 1158 CB TYR A 82 16.002 -7.823 6.746 1.00 3.31 C ATOM 1159 CG TYR A 82 17.296 -8.534 7.073 1.00 72.22 C ATOM 1160 CD1 TYR A 82 17.556 -8.989 8.360 1.00 50.34 C ATOM 1161 CD2 TYR A 82 18.258 -8.753 6.094 1.00 54.30 C ATOM 1162 CE1 TYR A 82 18.737 -9.638 8.663 1.00 72.54 C ATOM 1163 CE2 TYR A 82 19.441 -9.403 6.388 1.00 54.15 C ATOM 1164 CZ TYR A 82 19.676 -9.843 7.673 1.00 32.42 C ATOM 1165 OH TYR A 82 20.853 -10.491 7.971 1.00 74.53 O ATOM 0 H TYR A 82 14.648 -9.572 5.265 1.00 72.14 H new ATOM 0 HA TYR A 82 14.855 -8.970 8.155 1.00 75.22 H new ATOM 0 HB2 TYR A 82 15.974 -7.611 5.677 1.00 3.31 H new ATOM 0 HB3 TYR A 82 15.984 -6.863 7.262 1.00 3.31 H new ATOM 0 HD1 TYR A 82 16.822 -8.832 9.137 1.00 50.34 H new ATOM 0 HD2 TYR A 82 18.078 -8.409 5.086 1.00 54.30 H new ATOM 0 HE1 TYR A 82 18.924 -9.983 9.669 1.00 72.54 H new ATOM 0 HE2 TYR A 82 20.178 -9.566 5.615 1.00 54.15 H new ATOM 0 HH TYR A 82 21.063 -11.132 7.260 1.00 74.53 H new ATOM 1175 N HIS A 83 13.084 -7.219 8.198 1.00 62.24 N ATOM 1176 CA HIS A 83 11.917 -6.346 8.257 1.00 21.34 C ATOM 1177 C HIS A 83 12.330 -4.907 8.553 1.00 75.33 C ATOM 1178 O HIS A 83 13.437 -4.653 9.025 1.00 5.31 O ATOM 1179 CB HIS A 83 10.940 -6.838 9.325 1.00 20.54 C ATOM 1180 CG HIS A 83 10.083 -7.981 8.873 1.00 44.42 C ATOM 1181 ND1 HIS A 83 8.723 -7.870 8.678 1.00 52.22 N ATOM 1182 CD2 HIS A 83 10.402 -9.262 8.575 1.00 75.11 C ATOM 1183 CE1 HIS A 83 8.241 -9.034 8.281 1.00 31.12 C ATOM 1184 NE2 HIS A 83 9.239 -9.896 8.210 1.00 3.03 N ATOM 0 H HIS A 83 13.520 -7.402 9.102 1.00 62.24 H new ATOM 0 HA HIS A 83 11.425 -6.372 7.285 1.00 21.34 H new ATOM 0 HB2 HIS A 83 11.503 -7.143 10.207 1.00 20.54 H new ATOM 0 HB3 HIS A 83 10.298 -6.011 9.627 1.00 20.54 H new ATOM 0 HD2 HIS A 83 11.387 -9.703 8.616 1.00 75.11 H new ATOM 0 HE1 HIS A 83 7.207 -9.245 8.053 1.00 31.12 H new ATOM 0 HE2 HIS A 83 9.159 -10.874 7.930 1.00 3.03 H new ATOM 1192 N VAL A 84 11.431 -3.969 8.270 1.00 31.43 N ATOM 1193 CA VAL A 84 11.701 -2.556 8.506 1.00 61.12 C ATOM 1194 C VAL A 84 10.538 -1.888 9.231 1.00 43.33 C ATOM 1195 O VAL A 84 9.374 -2.147 8.929 1.00 70.23 O ATOM 1196 CB VAL A 84 11.967 -1.808 7.186 1.00 1.00 C ATOM 1197 CG1 VAL A 84 12.283 -0.345 7.456 1.00 51.32 C ATOM 1198 CG2 VAL A 84 13.098 -2.473 6.416 1.00 40.21 C ATOM 0 H VAL A 84 10.510 -4.163 7.877 1.00 31.43 H new ATOM 0 HA VAL A 84 12.593 -2.504 9.131 1.00 61.12 H new ATOM 0 HB VAL A 84 11.066 -1.853 6.574 1.00 1.00 H new ATOM 0 HG11 VAL A 84 12.468 0.167 6.512 1.00 51.32 H new ATOM 0 HG12 VAL A 84 11.439 0.122 7.963 1.00 51.32 H new ATOM 0 HG13 VAL A 84 13.169 -0.275 8.087 1.00 51.32 H new ATOM 0 HG21 VAL A 84 13.273 -1.932 5.486 1.00 40.21 H new ATOM 0 HG22 VAL A 84 14.006 -2.460 7.019 1.00 40.21 H new ATOM 0 HG23 VAL A 84 12.827 -3.504 6.190 1.00 40.21 H new ATOM 1208 N MET A 85 10.863 -1.025 10.188 1.00 34.35 N ATOM 1209 CA MET A 85 9.844 -0.318 10.956 1.00 43.41 C ATOM 1210 C MET A 85 10.294 1.105 11.275 1.00 64.41 C ATOM 1211 O MET A 85 11.329 1.310 11.910 1.00 30.03 O ATOM 1212 CB MET A 85 9.537 -1.070 12.252 1.00 72.43 C ATOM 1213 CG MET A 85 8.092 -0.937 12.704 1.00 75.45 C ATOM 1214 SD MET A 85 7.788 0.584 13.623 1.00 63.04 S ATOM 1215 CE MET A 85 5.998 0.605 13.661 1.00 13.20 C ATOM 0 H MET A 85 11.822 -0.798 10.450 1.00 34.35 H new ATOM 0 HA MET A 85 8.939 -0.268 10.351 1.00 43.41 H new ATOM 0 HB2 MET A 85 9.770 -2.126 12.114 1.00 72.43 H new ATOM 0 HB3 MET A 85 10.191 -0.700 13.041 1.00 72.43 H new ATOM 0 HG2 MET A 85 7.439 -0.967 11.832 1.00 75.45 H new ATOM 0 HG3 MET A 85 7.830 -1.792 13.328 1.00 75.45 H new ATOM 0 HE1 MET A 85 5.656 1.490 14.198 1.00 13.20 H new ATOM 0 HE2 MET A 85 5.613 0.628 12.642 1.00 13.20 H new ATOM 0 HE3 MET A 85 5.634 -0.289 14.167 1.00 13.20 H new ATOM 1225 N ILE A 86 9.512 2.082 10.830 1.00 71.11 N ATOM 1226 CA ILE A 86 9.831 3.484 11.069 1.00 34.13 C ATOM 1227 C ILE A 86 8.776 4.145 11.950 1.00 31.23 C ATOM 1228 O ILE A 86 7.613 4.261 11.564 1.00 15.25 O ATOM 1229 CB ILE A 86 9.945 4.268 9.749 1.00 43.50 C ATOM 1230 CG1 ILE A 86 10.735 3.460 8.717 1.00 12.41 C ATOM 1231 CG2 ILE A 86 10.605 5.618 9.990 1.00 21.14 C ATOM 1232 CD1 ILE A 86 12.176 3.224 9.109 1.00 24.24 C ATOM 0 H ILE A 86 8.653 1.929 10.302 1.00 71.11 H new ATOM 0 HA ILE A 86 10.794 3.506 11.580 1.00 34.13 H new ATOM 0 HB ILE A 86 8.942 4.440 9.358 1.00 43.50 H new ATOM 0 HG12 ILE A 86 10.245 2.498 8.569 1.00 12.41 H new ATOM 0 HG13 ILE A 86 10.708 3.982 7.761 1.00 12.41 H new ATOM 0 HG21 ILE A 86 10.679 6.160 9.047 1.00 21.14 H new ATOM 0 HG22 ILE A 86 10.006 6.195 10.695 1.00 21.14 H new ATOM 0 HG23 ILE A 86 11.603 5.467 10.400 1.00 21.14 H new ATOM 0 HD11 ILE A 86 12.675 2.645 8.331 1.00 24.24 H new ATOM 0 HD12 ILE A 86 12.682 4.182 9.229 1.00 24.24 H new ATOM 0 HD13 ILE A 86 12.212 2.674 10.050 1.00 24.24 H new ATOM 1244 N LYS A 87 9.191 4.578 13.136 1.00 55.10 N ATOM 1245 CA LYS A 87 8.283 5.231 14.072 1.00 5.05 C ATOM 1246 C LYS A 87 8.695 6.681 14.308 1.00 62.23 C ATOM 1247 O LYS A 87 9.852 6.966 14.615 1.00 70.34 O ATOM 1248 CB LYS A 87 8.259 4.474 15.402 1.00 3.45 C ATOM 1249 CG LYS A 87 6.860 4.119 15.874 1.00 21.45 C ATOM 1250 CD LYS A 87 6.252 5.234 16.708 1.00 5.04 C ATOM 1251 CE LYS A 87 5.015 5.817 16.043 1.00 44.13 C ATOM 1252 NZ LYS A 87 3.770 5.136 16.493 1.00 61.23 N ATOM 0 H LYS A 87 10.150 4.489 13.472 1.00 55.10 H new ATOM 0 HA LYS A 87 7.284 5.222 13.637 1.00 5.05 H new ATOM 0 HB2 LYS A 87 8.842 3.559 15.300 1.00 3.45 H new ATOM 0 HB3 LYS A 87 8.748 5.080 16.165 1.00 3.45 H new ATOM 0 HG2 LYS A 87 6.224 3.920 15.012 1.00 21.45 H new ATOM 0 HG3 LYS A 87 6.895 3.202 16.462 1.00 21.45 H new ATOM 0 HD2 LYS A 87 5.990 4.850 17.694 1.00 5.04 H new ATOM 0 HD3 LYS A 87 6.991 6.021 16.858 1.00 5.04 H new ATOM 0 HE2 LYS A 87 4.949 6.881 16.269 1.00 44.13 H new ATOM 0 HE3 LYS A 87 5.108 5.726 14.961 1.00 44.13 H new ATOM 0 HZ1 LYS A 87 3.215 4.843 15.663 1.00 61.23 H new ATOM 0 HZ2 LYS A 87 4.017 4.298 17.057 1.00 61.23 H new ATOM 0 HZ3 LYS A 87 3.207 5.790 17.073 1.00 61.23 H new ATOM 1266 N GLY A 88 7.740 7.594 14.163 1.00 75.11 N ATOM 1267 CA GLY A 88 8.023 9.003 14.365 1.00 71.32 C ATOM 1268 C GLY A 88 7.343 9.560 15.600 1.00 64.40 C ATOM 1269 O GLY A 88 6.372 8.986 16.095 1.00 44.44 O ATOM 0 H GLY A 88 6.775 7.383 13.909 1.00 75.11 H new ATOM 0 HA2 GLY A 88 9.100 9.145 14.452 1.00 71.32 H new ATOM 0 HA3 GLY A 88 7.697 9.565 13.490 1.00 71.32 H new ATOM 1273 N TYR A 89 7.855 10.679 16.101 1.00 73.33 N ATOM 1274 CA TYR A 89 7.293 11.311 17.289 1.00 63.05 C ATOM 1275 C TYR A 89 6.370 12.464 16.907 1.00 10.01 C ATOM 1276 O TYR A 89 5.511 12.871 17.689 1.00 32.21 O ATOM 1277 CB TYR A 89 8.413 11.819 18.199 1.00 73.02 C ATOM 1278 CG TYR A 89 8.112 11.665 19.672 1.00 34.05 C ATOM 1279 CD1 TYR A 89 7.250 12.541 20.321 1.00 2.01 C ATOM 1280 CD2 TYR A 89 8.688 10.642 20.416 1.00 1.40 C ATOM 1281 CE1 TYR A 89 6.973 12.404 21.668 1.00 41.45 C ATOM 1282 CE2 TYR A 89 8.416 10.497 21.763 1.00 55.24 C ATOM 1283 CZ TYR A 89 7.558 11.381 22.384 1.00 71.12 C ATOM 1284 OH TYR A 89 7.283 11.241 23.725 1.00 62.41 O ATOM 0 H TYR A 89 8.658 11.167 15.703 1.00 73.33 H new ATOM 0 HA TYR A 89 6.708 10.564 17.826 1.00 63.05 H new ATOM 0 HB2 TYR A 89 9.332 11.280 17.966 1.00 73.02 H new ATOM 0 HB3 TYR A 89 8.597 12.871 17.982 1.00 73.02 H new ATOM 0 HD1 TYR A 89 6.789 13.343 19.763 1.00 2.01 H new ATOM 0 HD2 TYR A 89 9.360 9.948 19.933 1.00 1.40 H new ATOM 0 HE1 TYR A 89 6.302 13.094 22.157 1.00 41.45 H new ATOM 0 HE2 TYR A 89 8.872 9.696 22.326 1.00 55.24 H new ATOM 0 HH TYR A 89 7.774 10.471 24.081 1.00 62.41 H new ATOM 1294 N SER A 90 6.554 12.986 15.699 1.00 60.14 N ATOM 1295 CA SER A 90 5.741 14.094 15.213 1.00 54.34 C ATOM 1296 C SER A 90 5.931 14.291 13.712 1.00 62.13 C ATOM 1297 O SER A 90 7.038 14.153 13.192 1.00 12.34 O ATOM 1298 CB SER A 90 6.099 15.382 15.957 1.00 51.23 C ATOM 1299 OG SER A 90 7.282 15.961 15.434 1.00 60.13 O ATOM 0 H SER A 90 7.259 12.659 15.039 1.00 60.14 H new ATOM 0 HA SER A 90 4.695 13.853 15.400 1.00 54.34 H new ATOM 0 HB2 SER A 90 5.276 16.093 15.877 1.00 51.23 H new ATOM 0 HB3 SER A 90 6.233 15.168 17.017 1.00 51.23 H new ATOM 0 HG SER A 90 7.488 16.784 15.925 1.00 60.13 H new ATOM 1305 N ASN A 91 4.843 14.614 13.021 1.00 73.43 N ATOM 1306 CA ASN A 91 4.889 14.829 11.579 1.00 75.20 C ATOM 1307 C ASN A 91 6.202 15.489 11.169 1.00 74.30 C ATOM 1308 O ASN A 91 6.423 16.671 11.432 1.00 71.01 O ATOM 1309 CB ASN A 91 3.709 15.695 11.134 1.00 54.21 C ATOM 1310 CG ASN A 91 3.545 15.718 9.626 1.00 14.55 C ATOM 1311 OD1 ASN A 91 4.439 15.307 8.887 1.00 31.12 O ATOM 1312 ND2 ASN A 91 2.398 16.202 9.164 1.00 74.23 N ATOM 0 H ASN A 91 3.919 14.733 13.436 1.00 73.43 H new ATOM 0 HA ASN A 91 4.823 13.857 11.089 1.00 75.20 H new ATOM 0 HB2 ASN A 91 2.793 15.319 11.591 1.00 54.21 H new ATOM 0 HB3 ASN A 91 3.852 16.713 11.497 1.00 54.21 H new ATOM 0 HD21 ASN A 91 2.230 16.244 8.159 1.00 74.23 H new ATOM 0 HD22 ASN A 91 1.685 16.532 9.814 1.00 74.23 H new ATOM 1319 N TYR A 92 7.069 14.717 10.523 1.00 33.13 N ATOM 1320 CA TYR A 92 8.361 15.225 10.078 1.00 13.42 C ATOM 1321 C TYR A 92 8.942 14.345 8.976 1.00 41.42 C ATOM 1322 O TYR A 92 9.232 13.169 9.193 1.00 31.01 O ATOM 1323 CB TYR A 92 9.336 15.300 11.254 1.00 32.44 C ATOM 1324 CG TYR A 92 10.350 16.414 11.131 1.00 51.23 C ATOM 1325 CD1 TYR A 92 11.494 16.257 10.358 1.00 53.12 C ATOM 1326 CD2 TYR A 92 10.164 17.625 11.786 1.00 14.13 C ATOM 1327 CE1 TYR A 92 12.423 17.273 10.243 1.00 61.42 C ATOM 1328 CE2 TYR A 92 11.087 18.647 11.676 1.00 60.31 C ATOM 1329 CZ TYR A 92 12.215 18.465 10.903 1.00 3.44 C ATOM 1330 OH TYR A 92 13.138 19.480 10.790 1.00 21.13 O ATOM 0 H TYR A 92 6.900 13.737 10.296 1.00 33.13 H new ATOM 0 HA TYR A 92 8.210 16.227 9.676 1.00 13.42 H new ATOM 0 HB2 TYR A 92 8.770 15.436 12.176 1.00 32.44 H new ATOM 0 HB3 TYR A 92 9.862 14.349 11.340 1.00 32.44 H new ATOM 0 HD1 TYR A 92 11.660 15.325 9.838 1.00 53.12 H new ATOM 0 HD2 TYR A 92 9.282 17.770 12.392 1.00 14.13 H new ATOM 0 HE1 TYR A 92 13.308 17.134 9.639 1.00 61.42 H new ATOM 0 HE2 TYR A 92 10.927 19.582 12.192 1.00 60.31 H new ATOM 0 HH TYR A 92 12.841 20.252 11.315 1.00 21.13 H new ATOM 1340 N SER A 93 9.110 14.925 7.792 1.00 43.33 N ATOM 1341 CA SER A 93 9.654 14.195 6.653 1.00 60.40 C ATOM 1342 C SER A 93 10.945 14.841 6.159 1.00 73.12 C ATOM 1343 O SER A 93 11.224 16.002 6.455 1.00 32.12 O ATOM 1344 CB SER A 93 8.630 14.142 5.518 1.00 72.42 C ATOM 1345 OG SER A 93 8.056 15.417 5.288 1.00 23.13 O ATOM 0 H SER A 93 8.877 15.899 7.596 1.00 43.33 H new ATOM 0 HA SER A 93 9.878 13.179 6.978 1.00 60.40 H new ATOM 0 HB2 SER A 93 9.111 13.787 4.607 1.00 72.42 H new ATOM 0 HB3 SER A 93 7.846 13.426 5.765 1.00 72.42 H new ATOM 0 HG SER A 93 7.406 15.356 4.557 1.00 23.13 H new ATOM 1351 N GLY A 94 11.729 14.079 5.403 1.00 61.15 N ATOM 1352 CA GLY A 94 12.981 14.593 4.879 1.00 61.01 C ATOM 1353 C GLY A 94 14.173 13.757 5.301 1.00 70.10 C ATOM 1354 O GLY A 94 15.305 14.241 5.319 1.00 32.14 O ATOM 0 H GLY A 94 11.520 13.115 5.144 1.00 61.15 H new ATOM 0 HA2 GLY A 94 12.930 14.624 3.791 1.00 61.01 H new ATOM 0 HA3 GLY A 94 13.121 15.618 5.221 1.00 61.01 H new ATOM 1358 N VAL A 95 13.919 12.498 5.643 1.00 63.31 N ATOM 1359 CA VAL A 95 14.980 11.592 6.068 1.00 42.33 C ATOM 1360 C VAL A 95 15.193 10.479 5.048 1.00 24.23 C ATOM 1361 O VAL A 95 14.251 10.032 4.394 1.00 71.52 O ATOM 1362 CB VAL A 95 14.667 10.965 7.439 1.00 61.20 C ATOM 1363 CG1 VAL A 95 15.942 10.465 8.101 1.00 11.25 C ATOM 1364 CG2 VAL A 95 13.950 11.966 8.331 1.00 11.54 C ATOM 0 H VAL A 95 12.988 12.082 5.634 1.00 63.31 H new ATOM 0 HA VAL A 95 15.890 12.186 6.149 1.00 42.33 H new ATOM 0 HB VAL A 95 14.007 10.111 7.287 1.00 61.20 H new ATOM 0 HG11 VAL A 95 15.701 10.025 9.069 1.00 11.25 H new ATOM 0 HG12 VAL A 95 16.410 9.712 7.467 1.00 11.25 H new ATOM 0 HG13 VAL A 95 16.630 11.299 8.242 1.00 11.25 H new ATOM 0 HG21 VAL A 95 13.737 11.506 9.296 1.00 11.54 H new ATOM 0 HG22 VAL A 95 14.583 12.841 8.478 1.00 11.54 H new ATOM 0 HG23 VAL A 95 13.016 12.270 7.859 1.00 11.54 H new ATOM 1374 N THR A 96 16.439 10.034 4.918 1.00 23.41 N ATOM 1375 CA THR A 96 16.777 8.972 3.978 1.00 44.50 C ATOM 1376 C THR A 96 17.015 7.652 4.702 1.00 43.14 C ATOM 1377 O THR A 96 17.967 7.517 5.472 1.00 51.10 O ATOM 1378 CB THR A 96 18.031 9.328 3.157 1.00 62.12 C ATOM 1379 OG1 THR A 96 18.210 10.748 3.125 1.00 12.33 O ATOM 1380 CG2 THR A 96 17.917 8.794 1.737 1.00 41.53 C ATOM 0 H THR A 96 17.231 10.393 5.452 1.00 23.41 H new ATOM 0 HA THR A 96 15.928 8.864 3.303 1.00 44.50 H new ATOM 0 HB THR A 96 18.894 8.865 3.635 1.00 62.12 H new ATOM 0 HG1 THR A 96 19.010 10.965 2.603 1.00 12.33 H new ATOM 0 HG21 THR A 96 18.814 9.057 1.176 1.00 41.53 H new ATOM 0 HG22 THR A 96 17.811 7.709 1.764 1.00 41.53 H new ATOM 0 HG23 THR A 96 17.044 9.232 1.253 1.00 41.53 H new ATOM 1388 N LEU A 97 16.146 6.680 4.449 1.00 21.32 N ATOM 1389 CA LEU A 97 16.262 5.368 5.077 1.00 62.24 C ATOM 1390 C LEU A 97 16.917 4.367 4.130 1.00 51.35 C ATOM 1391 O LEU A 97 16.696 4.405 2.919 1.00 52.21 O ATOM 1392 CB LEU A 97 14.883 4.859 5.500 1.00 1.31 C ATOM 1393 CG LEU A 97 14.790 3.369 5.831 1.00 14.40 C ATOM 1394 CD1 LEU A 97 15.475 3.073 7.156 1.00 65.35 C ATOM 1395 CD2 LEU A 97 13.336 2.922 5.869 1.00 34.22 C ATOM 0 H LEU A 97 15.354 6.775 3.814 1.00 21.32 H new ATOM 0 HA LEU A 97 16.892 5.470 5.961 1.00 62.24 H new ATOM 0 HB2 LEU A 97 14.561 5.426 6.374 1.00 1.31 H new ATOM 0 HB3 LEU A 97 14.176 5.078 4.700 1.00 1.31 H new ATOM 0 HG LEU A 97 15.302 2.809 5.048 1.00 14.40 H new ATOM 0 HD11 LEU A 97 15.399 2.008 7.375 1.00 65.35 H new ATOM 0 HD12 LEU A 97 16.526 3.356 7.094 1.00 65.35 H new ATOM 0 HD13 LEU A 97 14.992 3.642 7.950 1.00 65.35 H new ATOM 0 HD21 LEU A 97 13.288 1.859 6.106 1.00 34.22 H new ATOM 0 HD22 LEU A 97 12.801 3.488 6.632 1.00 34.22 H new ATOM 0 HD23 LEU A 97 12.876 3.098 4.897 1.00 34.22 H new ATOM 1407 N LYS A 98 17.723 3.471 4.689 1.00 75.11 N ATOM 1408 CA LYS A 98 18.407 2.457 3.896 1.00 24.10 C ATOM 1409 C LYS A 98 18.702 1.218 4.735 1.00 25.31 C ATOM 1410 O LYS A 98 18.632 1.256 5.964 1.00 14.43 O ATOM 1411 CB LYS A 98 19.710 3.021 3.325 1.00 62.15 C ATOM 1412 CG LYS A 98 20.334 2.144 2.252 1.00 54.50 C ATOM 1413 CD LYS A 98 20.941 2.977 1.135 1.00 74.20 C ATOM 1414 CE LYS A 98 21.802 4.104 1.685 1.00 71.45 C ATOM 1415 NZ LYS A 98 23.047 4.289 0.888 1.00 15.23 N ATOM 0 H LYS A 98 17.919 3.427 5.689 1.00 75.11 H new ATOM 0 HA LYS A 98 17.751 2.170 3.074 1.00 24.10 H new ATOM 0 HB2 LYS A 98 19.516 4.009 2.908 1.00 62.15 H new ATOM 0 HB3 LYS A 98 20.426 3.153 4.137 1.00 62.15 H new ATOM 0 HG2 LYS A 98 21.104 1.515 2.698 1.00 54.50 H new ATOM 0 HG3 LYS A 98 19.577 1.477 1.840 1.00 54.50 H new ATOM 0 HD2 LYS A 98 21.544 2.338 0.490 1.00 74.20 H new ATOM 0 HD3 LYS A 98 20.146 3.394 0.517 1.00 74.20 H new ATOM 0 HE2 LYS A 98 21.230 5.032 1.685 1.00 71.45 H new ATOM 0 HE3 LYS A 98 22.062 3.890 2.721 1.00 71.45 H new ATOM 0 HZ1 LYS A 98 23.607 5.066 1.294 1.00 15.23 H new ATOM 0 HZ2 LYS A 98 23.606 3.412 0.908 1.00 15.23 H new ATOM 0 HZ3 LYS A 98 22.799 4.519 -0.095 1.00 15.23 H new ATOM 1429 N LEU A 99 19.035 0.120 4.065 1.00 53.25 N ATOM 1430 CA LEU A 99 19.342 -1.131 4.749 1.00 44.11 C ATOM 1431 C LEU A 99 20.839 -1.251 5.017 1.00 62.13 C ATOM 1432 O LEU A 99 21.661 -0.882 4.178 1.00 55.40 O ATOM 1433 CB LEU A 99 18.864 -2.322 3.916 1.00 5.40 C ATOM 1434 CG LEU A 99 19.796 -3.534 3.882 1.00 51.21 C ATOM 1435 CD1 LEU A 99 19.003 -4.809 3.642 1.00 63.32 C ATOM 1436 CD2 LEU A 99 20.862 -3.357 2.811 1.00 44.11 C ATOM 0 H LEU A 99 19.099 0.071 3.048 1.00 53.25 H new ATOM 0 HA LEU A 99 18.819 -1.132 5.705 1.00 44.11 H new ATOM 0 HB2 LEU A 99 17.896 -2.644 4.300 1.00 5.40 H new ATOM 0 HB3 LEU A 99 18.704 -1.983 2.892 1.00 5.40 H new ATOM 0 HG LEU A 99 20.292 -3.615 4.849 1.00 51.21 H new ATOM 0 HD11 LEU A 99 19.682 -5.661 3.621 1.00 63.32 H new ATOM 0 HD12 LEU A 99 18.278 -4.943 4.445 1.00 63.32 H new ATOM 0 HD13 LEU A 99 18.480 -4.738 2.688 1.00 63.32 H new ATOM 0 HD21 LEU A 99 21.516 -4.229 2.801 1.00 44.11 H new ATOM 0 HD22 LEU A 99 20.385 -3.250 1.837 1.00 44.11 H new ATOM 0 HD23 LEU A 99 21.450 -2.465 3.027 1.00 44.11 H new ATOM 1448 N GLN A 100 21.185 -1.772 6.189 1.00 24.05 N ATOM 1449 CA GLN A 100 22.584 -1.942 6.566 1.00 34.33 C ATOM 1450 C GLN A 100 23.030 -3.387 6.364 1.00 12.45 C ATOM 1451 O GLN A 100 22.590 -4.288 7.079 1.00 63.24 O ATOM 1452 CB GLN A 100 22.795 -1.530 8.024 1.00 14.21 C ATOM 1453 CG GLN A 100 21.748 -2.092 8.973 1.00 42.40 C ATOM 1454 CD GLN A 100 20.521 -1.208 9.077 1.00 12.04 C ATOM 1455 OE1 GLN A 100 20.366 -0.248 8.322 1.00 64.35 O ATOM 1456 NE2 GLN A 100 19.639 -1.528 10.017 1.00 0.24 N ATOM 0 H GLN A 100 20.517 -2.084 6.894 1.00 24.05 H new ATOM 0 HA GLN A 100 23.188 -1.301 5.924 1.00 34.33 H new ATOM 0 HB2 GLN A 100 23.782 -1.862 8.347 1.00 14.21 H new ATOM 0 HB3 GLN A 100 22.787 -0.442 8.090 1.00 14.21 H new ATOM 0 HG2 GLN A 100 21.449 -3.083 8.632 1.00 42.40 H new ATOM 0 HG3 GLN A 100 22.188 -2.214 9.963 1.00 42.40 H new ATOM 0 HE21 GLN A 100 19.807 -2.332 10.621 1.00 0.24 H new ATOM 0 HE22 GLN A 100 18.794 -0.969 10.134 1.00 0.24 H new ATOM 1465 N TYR A 101 23.904 -3.599 5.388 1.00 64.24 N ATOM 1466 CA TYR A 101 24.408 -4.935 5.090 1.00 40.21 C ATOM 1467 C TYR A 101 25.888 -5.050 5.442 1.00 41.12 C ATOM 1468 O TYR A 101 26.273 -5.850 6.293 1.00 62.14 O ATOM 1469 CB TYR A 101 24.197 -5.264 3.611 1.00 31.42 C ATOM 1470 CG TYR A 101 25.005 -4.394 2.675 1.00 23.35 C ATOM 1471 CD1 TYR A 101 24.598 -3.101 2.371 1.00 21.33 C ATOM 1472 CD2 TYR A 101 26.177 -4.865 2.096 1.00 23.32 C ATOM 1473 CE1 TYR A 101 25.333 -2.303 1.516 1.00 22.43 C ATOM 1474 CE2 TYR A 101 26.920 -4.074 1.241 1.00 14.12 C ATOM 1475 CZ TYR A 101 26.493 -2.794 0.954 1.00 43.00 C ATOM 1476 OH TYR A 101 27.229 -2.002 0.103 1.00 42.31 O ATOM 0 H TYR A 101 24.279 -2.863 4.789 1.00 64.24 H new ATOM 0 HA TYR A 101 23.852 -5.649 5.697 1.00 40.21 H new ATOM 0 HB2 TYR A 101 24.458 -6.308 3.439 1.00 31.42 H new ATOM 0 HB3 TYR A 101 23.139 -5.156 3.371 1.00 31.42 H new ATOM 0 HD1 TYR A 101 23.691 -2.713 2.811 1.00 21.33 H new ATOM 0 HD2 TYR A 101 26.513 -5.867 2.318 1.00 23.32 H new ATOM 0 HE1 TYR A 101 25.001 -1.301 1.289 1.00 22.43 H new ATOM 0 HE2 TYR A 101 27.829 -4.455 0.800 1.00 14.12 H new ATOM 0 HH TYR A 101 28.017 -2.497 -0.205 1.00 42.31 H new TER 1486 TYR A 101