USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 684 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 56 HIS : no HD1:sc= -0.0388 X(o=-0.039,f=0.27) USER MOD Set 1.2: A 60 LYS NZ :NH3+ 174:sc= 0 (180deg=0) USER MOD Set 2.1: A 11 THR OG1 : rot 83:sc= 0.428 USER MOD Set 2.2: A 12 HIS : no HD1:sc= 0.357 K(o=0.78,f=-0.026) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.069 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -40:sc= -0.187! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -30:sc= -1.23 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot -20:sc= 1.13 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 160:sc= -0.327 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -6.79! C(o=-6.8!,f=-6.9!) USER MOD Single : A 41 SER OG : rot -119:sc= -0.776 USER MOD Single : A 42 SER OG : rot -2:sc= -1.96 USER MOD Single : A 47 SER OG : rot 180:sc= 0.00642 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 57 ASN : amide:sc= -0.509 X(o=-0.51,f=-0.57) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -100:sc= -1.13 USER MOD Single : A 77 ASN : amide:sc= -0.802 K(o=-0.8,f=-2.3!) USER MOD Single : A 80 SER OG : rot 91:sc= 0.623 USER MOD Single : A 81 SER OG : rot 52:sc= 0.777 USER MOD Single : A 85 SER OG : rot 180:sc= -0.195 USER MOD Single : A 86 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0168) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.383 -1.520 1.033 1.00 64.23 N ATOM 2 CA GLY A 1 4.451 -0.902 0.108 1.00 2.34 C ATOM 3 C GLY A 1 5.148 -0.053 -0.937 1.00 11.04 C ATOM 4 O GLY A 1 6.363 -0.142 -1.107 1.00 43.21 O ATOM 0 H1 GLY A 1 5.232 -2.549 1.043 1.00 64.23 H new ATOM 0 H2 GLY A 1 6.357 -1.316 0.732 1.00 64.23 H new ATOM 0 H3 GLY A 1 5.229 -1.139 1.988 1.00 64.23 H new ATOM 0 HA2 GLY A 1 3.868 -1.678 -0.388 1.00 2.34 H new ATOM 0 HA3 GLY A 1 3.748 -0.283 0.665 1.00 2.34 H new ATOM 8 N GLU A 2 4.376 0.771 -1.639 1.00 30.33 N ATOM 9 CA GLU A 2 4.927 1.637 -2.674 1.00 65.53 C ATOM 10 C GLU A 2 4.729 3.107 -2.317 1.00 32.30 C ATOM 11 O GLU A 2 4.121 3.865 -3.073 1.00 32.11 O ATOM 12 CB GLU A 2 4.273 1.335 -4.024 1.00 54.41 C ATOM 13 CG GLU A 2 2.754 1.383 -3.988 1.00 43.31 C ATOM 14 CD GLU A 2 2.137 1.354 -5.373 1.00 13.53 C ATOM 15 OE1 GLU A 2 2.573 2.146 -6.234 1.00 40.02 O ATOM 16 OE2 GLU A 2 1.217 0.539 -5.594 1.00 53.43 O ATOM 0 H GLU A 2 3.368 0.857 -1.510 1.00 30.33 H new ATOM 0 HA GLU A 2 5.997 1.440 -2.745 1.00 65.53 H new ATOM 0 HB2 GLU A 2 4.634 2.052 -4.762 1.00 54.41 H new ATOM 0 HB3 GLU A 2 4.589 0.347 -4.359 1.00 54.41 H new ATOM 0 HG2 GLU A 2 2.381 0.537 -3.410 1.00 43.31 H new ATOM 0 HG3 GLU A 2 2.435 2.288 -3.471 1.00 43.31 H new ATOM 23 N LYS A 3 5.246 3.503 -1.159 1.00 34.12 N ATOM 24 CA LYS A 3 5.127 4.882 -0.699 1.00 61.42 C ATOM 25 C LYS A 3 6.389 5.320 0.037 1.00 40.21 C ATOM 26 O LYS A 3 6.347 6.209 0.888 1.00 1.21 O ATOM 27 CB LYS A 3 3.911 5.033 0.217 1.00 32.53 C ATOM 28 CG LYS A 3 3.912 4.070 1.392 1.00 13.25 C ATOM 29 CD LYS A 3 2.541 3.983 2.043 1.00 41.02 C ATOM 30 CE LYS A 3 1.770 2.766 1.556 1.00 33.10 C ATOM 31 NZ LYS A 3 0.687 3.140 0.605 1.00 73.43 N ATOM 0 H LYS A 3 5.752 2.888 -0.521 1.00 34.12 H new ATOM 0 HA LYS A 3 4.997 5.520 -1.573 1.00 61.42 H new ATOM 0 HB2 LYS A 3 3.876 6.055 0.595 1.00 32.53 H new ATOM 0 HB3 LYS A 3 3.004 4.878 -0.368 1.00 32.53 H new ATOM 0 HG2 LYS A 3 4.218 3.080 1.052 1.00 13.25 H new ATOM 0 HG3 LYS A 3 4.646 4.395 2.129 1.00 13.25 H new ATOM 0 HD2 LYS A 3 2.654 3.934 3.126 1.00 41.02 H new ATOM 0 HD3 LYS A 3 1.974 4.887 1.822 1.00 41.02 H new ATOM 0 HE2 LYS A 3 2.456 2.072 1.071 1.00 33.10 H new ATOM 0 HE3 LYS A 3 1.339 2.243 2.410 1.00 33.10 H new ATOM 0 HZ1 LYS A 3 0.185 2.283 0.296 1.00 73.43 H new ATOM 0 HZ2 LYS A 3 0.018 3.782 1.076 1.00 73.43 H new ATOM 0 HZ3 LYS A 3 1.100 3.616 -0.222 1.00 73.43 H new ATOM 45 N THR A 4 7.512 4.692 -0.297 1.00 62.01 N ATOM 46 CA THR A 4 8.786 5.018 0.332 1.00 70.43 C ATOM 47 C THR A 4 9.957 4.558 -0.529 1.00 43.51 C ATOM 48 O THR A 4 9.866 3.553 -1.234 1.00 43.30 O ATOM 49 CB THR A 4 8.905 4.374 1.726 1.00 30.11 C ATOM 50 OG1 THR A 4 7.628 4.369 2.374 1.00 1.31 O ATOM 51 CG2 THR A 4 9.912 5.124 2.584 1.00 2.33 C ATOM 0 H THR A 4 7.565 3.955 -1.000 1.00 62.01 H new ATOM 0 HA THR A 4 8.819 6.102 0.437 1.00 70.43 H new ATOM 0 HB THR A 4 9.252 3.348 1.600 1.00 30.11 H new ATOM 0 HG1 THR A 4 7.164 5.212 2.190 1.00 1.31 H new ATOM 0 HG21 THR A 4 9.979 4.651 3.564 1.00 2.33 H new ATOM 0 HG22 THR A 4 10.889 5.101 2.102 1.00 2.33 H new ATOM 0 HG23 THR A 4 9.590 6.159 2.702 1.00 2.33 H new ATOM 59 N VAL A 5 11.058 5.301 -0.467 1.00 23.22 N ATOM 60 CA VAL A 5 12.249 4.969 -1.240 1.00 21.54 C ATOM 61 C VAL A 5 13.248 4.181 -0.399 1.00 74.41 C ATOM 62 O VAL A 5 13.400 4.427 0.798 1.00 74.34 O ATOM 63 CB VAL A 5 12.938 6.235 -1.782 1.00 12.02 C ATOM 64 CG1 VAL A 5 13.369 7.140 -0.638 1.00 30.02 C ATOM 65 CG2 VAL A 5 14.127 5.862 -2.655 1.00 14.33 C ATOM 0 H VAL A 5 11.150 6.137 0.111 1.00 23.22 H new ATOM 0 HA VAL A 5 11.920 4.356 -2.079 1.00 21.54 H new ATOM 0 HB VAL A 5 12.223 6.782 -2.396 1.00 12.02 H new ATOM 0 HG11 VAL A 5 13.854 8.029 -1.040 1.00 30.02 H new ATOM 0 HG12 VAL A 5 12.495 7.435 -0.058 1.00 30.02 H new ATOM 0 HG13 VAL A 5 14.068 6.605 0.005 1.00 30.02 H new ATOM 0 HG21 VAL A 5 14.602 6.769 -3.030 1.00 14.33 H new ATOM 0 HG22 VAL A 5 14.846 5.292 -2.066 1.00 14.33 H new ATOM 0 HG23 VAL A 5 13.786 5.257 -3.495 1.00 14.33 H new ATOM 75 N LYS A 6 13.927 3.231 -1.033 1.00 44.54 N ATOM 76 CA LYS A 6 14.914 2.407 -0.346 1.00 30.12 C ATOM 77 C LYS A 6 16.331 2.801 -0.751 1.00 55.53 C ATOM 78 O LYS A 6 16.746 2.579 -1.889 1.00 63.12 O ATOM 79 CB LYS A 6 14.677 0.927 -0.656 1.00 0.05 C ATOM 80 CG LYS A 6 13.217 0.516 -0.580 1.00 53.12 C ATOM 81 CD LYS A 6 12.644 0.237 -1.960 1.00 0.22 C ATOM 82 CE LYS A 6 11.183 0.651 -2.051 1.00 21.52 C ATOM 83 NZ LYS A 6 10.463 -0.089 -3.124 1.00 62.32 N ATOM 0 H LYS A 6 13.811 3.013 -2.023 1.00 44.54 H new ATOM 0 HA LYS A 6 14.803 2.571 0.726 1.00 30.12 H new ATOM 0 HB2 LYS A 6 15.056 0.708 -1.654 1.00 0.05 H new ATOM 0 HB3 LYS A 6 15.253 0.321 0.043 1.00 0.05 H new ATOM 0 HG2 LYS A 6 13.120 -0.374 0.042 1.00 53.12 H new ATOM 0 HG3 LYS A 6 12.640 1.306 -0.098 1.00 53.12 H new ATOM 0 HD2 LYS A 6 13.223 0.774 -2.711 1.00 0.22 H new ATOM 0 HD3 LYS A 6 12.737 -0.825 -2.186 1.00 0.22 H new ATOM 0 HE2 LYS A 6 10.694 0.470 -1.094 1.00 21.52 H new ATOM 0 HE3 LYS A 6 11.120 1.722 -2.243 1.00 21.52 H new ATOM 0 HZ1 LYS A 6 9.471 0.221 -3.154 1.00 62.32 H new ATOM 0 HZ2 LYS A 6 10.914 0.104 -4.041 1.00 62.32 H new ATOM 0 HZ3 LYS A 6 10.501 -1.110 -2.927 1.00 62.32 H new ATOM 97 N LEU A 7 17.068 3.387 0.186 1.00 72.30 N ATOM 98 CA LEU A 7 18.439 3.811 -0.073 1.00 63.04 C ATOM 99 C LEU A 7 19.417 2.663 0.157 1.00 1.21 C ATOM 100 O LEU A 7 19.370 1.992 1.188 1.00 61.30 O ATOM 101 CB LEU A 7 18.806 4.996 0.822 1.00 34.32 C ATOM 102 CG LEU A 7 18.494 6.383 0.260 1.00 4.32 C ATOM 103 CD1 LEU A 7 16.992 6.584 0.134 1.00 22.34 C ATOM 104 CD2 LEU A 7 19.107 7.464 1.139 1.00 52.30 C ATOM 0 H LEU A 7 16.739 3.579 1.132 1.00 72.30 H new ATOM 0 HA LEU A 7 18.507 4.118 -1.117 1.00 63.04 H new ATOM 0 HB2 LEU A 7 18.282 4.884 1.771 1.00 34.32 H new ATOM 0 HB3 LEU A 7 19.873 4.945 1.039 1.00 34.32 H new ATOM 0 HG LEU A 7 18.933 6.458 -0.735 1.00 4.32 H new ATOM 0 HD11 LEU A 7 16.790 7.577 -0.268 1.00 22.34 H new ATOM 0 HD12 LEU A 7 16.579 5.830 -0.537 1.00 22.34 H new ATOM 0 HD13 LEU A 7 16.529 6.489 1.116 1.00 22.34 H new ATOM 0 HD21 LEU A 7 18.875 8.445 0.724 1.00 52.30 H new ATOM 0 HD22 LEU A 7 18.697 7.390 2.146 1.00 52.30 H new ATOM 0 HD23 LEU A 7 20.188 7.332 1.177 1.00 52.30 H new ATOM 116 N TYR A 8 20.303 2.445 -0.808 1.00 43.31 N ATOM 117 CA TYR A 8 21.293 1.379 -0.711 1.00 32.33 C ATOM 118 C TYR A 8 22.707 1.950 -0.661 1.00 75.02 C ATOM 119 O TYR A 8 22.981 3.006 -1.231 1.00 33.24 O ATOM 120 CB TYR A 8 21.159 0.421 -1.895 1.00 70.45 C ATOM 121 CG TYR A 8 19.727 0.072 -2.234 1.00 21.04 C ATOM 122 CD1 TYR A 8 18.794 -0.163 -1.231 1.00 74.05 C ATOM 123 CD2 TYR A 8 19.308 -0.023 -3.555 1.00 32.53 C ATOM 124 CE1 TYR A 8 17.484 -0.483 -1.535 1.00 44.45 C ATOM 125 CE2 TYR A 8 18.000 -0.341 -3.868 1.00 44.00 C ATOM 126 CZ TYR A 8 17.093 -0.570 -2.855 1.00 54.21 C ATOM 127 OH TYR A 8 15.790 -0.888 -3.163 1.00 53.21 O ATOM 0 H TYR A 8 20.356 2.993 -1.667 1.00 43.31 H new ATOM 0 HA TYR A 8 21.110 0.831 0.213 1.00 32.33 H new ATOM 0 HB2 TYR A 8 21.631 0.869 -2.769 1.00 70.45 H new ATOM 0 HB3 TYR A 8 21.705 -0.496 -1.673 1.00 70.45 H new ATOM 0 HD1 TYR A 8 19.098 -0.094 -0.197 1.00 74.05 H new ATOM 0 HD2 TYR A 8 20.016 0.155 -4.351 1.00 32.53 H new ATOM 0 HE1 TYR A 8 16.771 -0.664 -0.744 1.00 44.45 H new ATOM 0 HE2 TYR A 8 17.690 -0.410 -4.900 1.00 44.00 H new ATOM 0 HH TYR A 8 15.418 -1.461 -2.460 1.00 53.21 H new ATOM 137 N GLU A 9 23.600 1.243 0.024 1.00 71.24 N ATOM 138 CA GLU A 9 24.986 1.679 0.148 1.00 53.21 C ATOM 139 C GLU A 9 25.861 1.021 -0.915 1.00 31.55 C ATOM 140 O GLU A 9 26.896 1.561 -1.303 1.00 65.04 O ATOM 141 CB GLU A 9 25.524 1.352 1.542 1.00 33.44 C ATOM 142 CG GLU A 9 25.771 -0.131 1.767 1.00 53.33 C ATOM 143 CD GLU A 9 25.310 -0.599 3.134 1.00 44.53 C ATOM 144 OE1 GLU A 9 24.128 -0.377 3.469 1.00 52.23 O ATOM 145 OE2 GLU A 9 26.132 -1.186 3.868 1.00 11.43 O ATOM 0 H GLU A 9 23.389 0.367 0.501 1.00 71.24 H new ATOM 0 HA GLU A 9 25.015 2.758 -0.000 1.00 53.21 H new ATOM 0 HB2 GLU A 9 26.456 1.895 1.699 1.00 33.44 H new ATOM 0 HB3 GLU A 9 24.816 1.711 2.289 1.00 33.44 H new ATOM 0 HG2 GLU A 9 25.252 -0.703 0.997 1.00 53.33 H new ATOM 0 HG3 GLU A 9 26.835 -0.339 1.656 1.00 53.33 H new ATOM 152 N ASP A 10 25.437 -0.150 -1.379 1.00 3.20 N ATOM 153 CA ASP A 10 26.181 -0.883 -2.397 1.00 21.14 C ATOM 154 C ASP A 10 25.505 -0.760 -3.758 1.00 53.04 C ATOM 155 O ASP A 10 24.296 -0.540 -3.846 1.00 42.14 O ATOM 156 CB ASP A 10 26.305 -2.357 -2.006 1.00 15.41 C ATOM 157 CG ASP A 10 27.730 -2.749 -1.668 1.00 15.41 C ATOM 158 OD1 ASP A 10 28.645 -2.376 -2.432 1.00 32.21 O ATOM 159 OD2 ASP A 10 27.930 -3.427 -0.639 1.00 74.00 O ATOM 0 H ASP A 10 24.583 -0.611 -1.067 1.00 3.20 H new ATOM 0 HA ASP A 10 27.178 -0.449 -2.467 1.00 21.14 H new ATOM 0 HB2 ASP A 10 25.663 -2.557 -1.148 1.00 15.41 H new ATOM 0 HB3 ASP A 10 25.945 -2.979 -2.826 1.00 15.41 H new ATOM 164 N THR A 11 26.292 -0.902 -4.820 1.00 24.40 N ATOM 165 CA THR A 11 25.771 -0.805 -6.177 1.00 73.03 C ATOM 166 C THR A 11 25.047 -2.084 -6.581 1.00 71.33 C ATOM 167 O THR A 11 25.392 -3.175 -6.126 1.00 30.22 O ATOM 168 CB THR A 11 26.894 -0.522 -7.192 1.00 65.21 C ATOM 169 OG1 THR A 11 27.684 -1.701 -7.390 1.00 53.52 O ATOM 170 CG2 THR A 11 27.784 0.615 -6.712 1.00 74.10 C ATOM 0 H THR A 11 27.294 -1.085 -4.766 1.00 24.40 H new ATOM 0 HA THR A 11 25.066 0.026 -6.185 1.00 73.03 H new ATOM 0 HB THR A 11 26.435 -0.229 -8.136 1.00 65.21 H new ATOM 0 HG1 THR A 11 27.244 -2.283 -8.044 1.00 53.52 H new ATOM 0 HG21 THR A 11 28.570 0.796 -7.445 1.00 74.10 H new ATOM 0 HG22 THR A 11 27.186 1.518 -6.590 1.00 74.10 H new ATOM 0 HG23 THR A 11 28.235 0.346 -5.757 1.00 74.10 H new ATOM 178 N HIS A 12 24.042 -1.944 -7.440 1.00 35.24 N ATOM 179 CA HIS A 12 23.269 -3.090 -7.906 1.00 63.32 C ATOM 180 C HIS A 12 22.527 -3.753 -6.749 1.00 42.34 C ATOM 181 O HIS A 12 22.328 -4.968 -6.741 1.00 13.41 O ATOM 182 CB HIS A 12 24.186 -4.106 -8.588 1.00 23.43 C ATOM 183 CG HIS A 12 25.115 -3.496 -9.591 1.00 63.14 C ATOM 184 ND1 HIS A 12 26.482 -3.674 -9.558 1.00 23.35 N ATOM 185 CD2 HIS A 12 24.867 -2.707 -10.663 1.00 33.22 C ATOM 186 CE1 HIS A 12 27.034 -3.020 -10.564 1.00 5.15 C ATOM 187 NE2 HIS A 12 26.076 -2.425 -11.250 1.00 14.11 N ATOM 0 H HIS A 12 23.744 -1.049 -7.827 1.00 35.24 H new ATOM 0 HA HIS A 12 22.534 -2.732 -8.627 1.00 63.32 H new ATOM 0 HB2 HIS A 12 24.773 -4.621 -7.828 1.00 23.43 H new ATOM 0 HB3 HIS A 12 23.574 -4.860 -9.083 1.00 23.43 H new ATOM 0 HD2 HIS A 12 23.898 -2.363 -10.995 1.00 33.22 H new ATOM 0 HE1 HIS A 12 28.090 -2.979 -10.787 1.00 5.15 H new ATOM 0 HE2 HIS A 12 26.212 -1.849 -12.081 1.00 14.11 H new ATOM 195 N PHE A 13 22.121 -2.946 -5.774 1.00 62.41 N ATOM 196 CA PHE A 13 21.403 -3.455 -4.611 1.00 53.44 C ATOM 197 C PHE A 13 22.156 -4.617 -3.971 1.00 45.34 C ATOM 198 O PHE A 13 21.600 -5.696 -3.767 1.00 41.13 O ATOM 199 CB PHE A 13 19.995 -3.903 -5.011 1.00 24.11 C ATOM 200 CG PHE A 13 19.111 -4.217 -3.838 1.00 72.14 C ATOM 201 CD1 PHE A 13 19.063 -3.370 -2.743 1.00 4.00 C ATOM 202 CD2 PHE A 13 18.327 -5.360 -3.831 1.00 41.34 C ATOM 203 CE1 PHE A 13 18.250 -3.656 -1.662 1.00 41.34 C ATOM 204 CE2 PHE A 13 17.512 -5.650 -2.754 1.00 73.40 C ATOM 205 CZ PHE A 13 17.474 -4.798 -1.668 1.00 21.13 C ATOM 0 H PHE A 13 22.277 -1.938 -5.766 1.00 62.41 H new ATOM 0 HA PHE A 13 21.327 -2.649 -3.881 1.00 53.44 H new ATOM 0 HB2 PHE A 13 19.529 -3.119 -5.608 1.00 24.11 H new ATOM 0 HB3 PHE A 13 20.070 -4.786 -5.646 1.00 24.11 H new ATOM 0 HD1 PHE A 13 19.668 -2.475 -2.734 1.00 4.00 H new ATOM 0 HD2 PHE A 13 18.354 -6.031 -4.677 1.00 41.34 H new ATOM 0 HE1 PHE A 13 18.222 -2.987 -0.814 1.00 41.34 H new ATOM 0 HE2 PHE A 13 16.905 -6.543 -2.761 1.00 73.40 H new ATOM 0 HZ PHE A 13 16.838 -5.025 -0.825 1.00 21.13 H new ATOM 215 N LYS A 14 23.427 -4.388 -3.657 1.00 61.30 N ATOM 216 CA LYS A 14 24.259 -5.414 -3.040 1.00 3.04 C ATOM 217 C LYS A 14 24.665 -5.008 -1.627 1.00 2.55 C ATOM 218 O LYS A 14 25.831 -5.115 -1.250 1.00 45.21 O ATOM 219 CB LYS A 14 25.508 -5.666 -3.888 1.00 1.52 C ATOM 220 CG LYS A 14 26.042 -7.083 -3.778 1.00 64.12 C ATOM 221 CD LYS A 14 25.412 -7.998 -4.814 1.00 74.42 C ATOM 222 CE LYS A 14 26.131 -7.906 -6.151 1.00 55.33 C ATOM 223 NZ LYS A 14 26.673 -9.224 -6.582 1.00 3.12 N ATOM 0 H LYS A 14 23.903 -3.501 -3.820 1.00 61.30 H new ATOM 0 HA LYS A 14 23.675 -6.333 -2.982 1.00 3.04 H new ATOM 0 HB2 LYS A 14 25.277 -5.454 -4.932 1.00 1.52 H new ATOM 0 HB3 LYS A 14 26.289 -4.968 -3.586 1.00 1.52 H new ATOM 0 HG2 LYS A 14 27.124 -7.076 -3.907 1.00 64.12 H new ATOM 0 HG3 LYS A 14 25.843 -7.471 -2.779 1.00 64.12 H new ATOM 0 HD2 LYS A 14 25.438 -9.027 -4.456 1.00 74.42 H new ATOM 0 HD3 LYS A 14 24.363 -7.733 -4.945 1.00 74.42 H new ATOM 0 HE2 LYS A 14 25.442 -7.531 -6.908 1.00 55.33 H new ATOM 0 HE3 LYS A 14 26.945 -7.185 -6.076 1.00 55.33 H new ATOM 0 HZ1 LYS A 14 27.155 -9.118 -7.497 1.00 3.12 H new ATOM 0 HZ2 LYS A 14 27.349 -9.570 -5.872 1.00 3.12 H new ATOM 0 HZ3 LYS A 14 25.893 -9.905 -6.678 1.00 3.12 H new ATOM 237 N GLY A 15 23.694 -4.541 -0.847 1.00 73.44 N ATOM 238 CA GLY A 15 23.970 -4.127 0.516 1.00 62.52 C ATOM 239 C GLY A 15 22.706 -3.915 1.325 1.00 61.01 C ATOM 240 O GLY A 15 21.651 -4.455 0.994 1.00 75.34 O ATOM 0 H GLY A 15 22.721 -4.442 -1.136 1.00 73.44 H new ATOM 0 HA2 GLY A 15 24.587 -4.881 1.004 1.00 62.52 H new ATOM 0 HA3 GLY A 15 24.548 -3.203 0.502 1.00 62.52 H new ATOM 244 N TYR A 16 22.813 -3.128 2.389 1.00 15.34 N ATOM 245 CA TYR A 16 21.670 -2.849 3.251 1.00 52.41 C ATOM 246 C TYR A 16 20.681 -1.916 2.559 1.00 75.05 C ATOM 247 O TYR A 16 20.916 -1.464 1.438 1.00 21.10 O ATOM 248 CB TYR A 16 22.137 -2.227 4.568 1.00 22.22 C ATOM 249 CG TYR A 16 21.302 -2.636 5.760 1.00 12.34 C ATOM 250 CD1 TYR A 16 21.313 -3.945 6.225 1.00 22.14 C ATOM 251 CD2 TYR A 16 20.500 -1.713 6.421 1.00 24.02 C ATOM 252 CE1 TYR A 16 20.551 -4.323 7.314 1.00 61.32 C ATOM 253 CE2 TYR A 16 19.736 -2.082 7.511 1.00 3.23 C ATOM 254 CZ TYR A 16 19.765 -3.388 7.954 1.00 52.03 C ATOM 255 OH TYR A 16 19.004 -3.760 9.038 1.00 11.33 O ATOM 0 H TYR A 16 23.679 -2.672 2.676 1.00 15.34 H new ATOM 0 HA TYR A 16 21.167 -3.793 3.461 1.00 52.41 H new ATOM 0 HB2 TYR A 16 23.174 -2.511 4.747 1.00 22.22 H new ATOM 0 HB3 TYR A 16 22.115 -1.141 4.475 1.00 22.22 H new ATOM 0 HD1 TYR A 16 21.928 -4.680 5.727 1.00 22.14 H new ATOM 0 HD2 TYR A 16 20.474 -0.690 6.076 1.00 24.02 H new ATOM 0 HE1 TYR A 16 20.571 -5.345 7.662 1.00 61.32 H new ATOM 0 HE2 TYR A 16 19.119 -1.352 8.014 1.00 3.23 H new ATOM 0 HH TYR A 16 18.510 -2.983 9.373 1.00 11.33 H new ATOM 265 N SER A 17 19.572 -1.632 3.235 1.00 2.01 N ATOM 266 CA SER A 17 18.544 -0.756 2.685 1.00 3.12 C ATOM 267 C SER A 17 17.961 0.145 3.770 1.00 62.22 C ATOM 268 O SER A 17 17.780 -0.277 4.912 1.00 33.01 O ATOM 269 CB SER A 17 17.431 -1.583 2.040 1.00 32.22 C ATOM 270 OG SER A 17 17.611 -2.966 2.293 1.00 13.14 O ATOM 0 H SER A 17 19.363 -1.996 4.165 1.00 2.01 H new ATOM 0 HA SER A 17 19.006 -0.127 1.924 1.00 3.12 H new ATOM 0 HB2 SER A 17 16.464 -1.262 2.427 1.00 32.22 H new ATOM 0 HB3 SER A 17 17.418 -1.405 0.965 1.00 32.22 H new ATOM 0 HG SER A 17 16.886 -3.473 1.872 1.00 13.14 H new ATOM 276 N VAL A 18 17.669 1.389 3.403 1.00 23.25 N ATOM 277 CA VAL A 18 17.106 2.350 4.343 1.00 14.35 C ATOM 278 C VAL A 18 15.847 2.998 3.778 1.00 11.41 C ATOM 279 O VAL A 18 15.867 3.567 2.687 1.00 13.01 O ATOM 280 CB VAL A 18 18.122 3.452 4.697 1.00 25.21 C ATOM 281 CG1 VAL A 18 17.501 4.469 5.641 1.00 12.44 C ATOM 282 CG2 VAL A 18 19.376 2.843 5.307 1.00 43.14 C ATOM 0 H VAL A 18 17.813 1.754 2.462 1.00 23.25 H new ATOM 0 HA VAL A 18 16.853 1.796 5.247 1.00 14.35 H new ATOM 0 HB VAL A 18 18.405 3.969 3.780 1.00 25.21 H new ATOM 0 HG11 VAL A 18 18.234 5.239 5.879 1.00 12.44 H new ATOM 0 HG12 VAL A 18 16.635 4.928 5.163 1.00 12.44 H new ATOM 0 HG13 VAL A 18 17.188 3.970 6.558 1.00 12.44 H new ATOM 0 HG21 VAL A 18 20.083 3.635 5.551 1.00 43.14 H new ATOM 0 HG22 VAL A 18 19.112 2.300 6.214 1.00 43.14 H new ATOM 0 HG23 VAL A 18 19.832 2.157 4.593 1.00 43.14 H new ATOM 292 N GLU A 19 14.753 2.909 4.529 1.00 63.44 N ATOM 293 CA GLU A 19 13.485 3.487 4.101 1.00 34.51 C ATOM 294 C GLU A 19 13.272 4.859 4.733 1.00 40.45 C ATOM 295 O GLU A 19 13.626 5.084 5.891 1.00 51.43 O ATOM 296 CB GLU A 19 12.326 2.558 4.470 1.00 13.23 C ATOM 297 CG GLU A 19 11.833 2.738 5.896 1.00 33.44 C ATOM 298 CD GLU A 19 12.927 2.521 6.924 1.00 71.45 C ATOM 299 OE1 GLU A 19 13.642 1.502 6.823 1.00 2.11 O ATOM 300 OE2 GLU A 19 13.068 3.370 7.828 1.00 54.41 O ATOM 0 H GLU A 19 14.720 2.443 5.436 1.00 63.44 H new ATOM 0 HA GLU A 19 13.516 3.606 3.018 1.00 34.51 H new ATOM 0 HB2 GLU A 19 11.498 2.733 3.783 1.00 13.23 H new ATOM 0 HB3 GLU A 19 12.642 1.524 4.331 1.00 13.23 H new ATOM 0 HG2 GLU A 19 11.425 3.742 6.011 1.00 33.44 H new ATOM 0 HG3 GLU A 19 11.018 2.039 6.085 1.00 33.44 H new ATOM 307 N LEU A 20 12.692 5.774 3.963 1.00 5.32 N ATOM 308 CA LEU A 20 12.432 7.126 4.446 1.00 44.23 C ATOM 309 C LEU A 20 11.155 7.688 3.831 1.00 74.45 C ATOM 310 O LEU A 20 11.122 8.093 2.669 1.00 50.35 O ATOM 311 CB LEU A 20 13.614 8.041 4.119 1.00 11.44 C ATOM 312 CG LEU A 20 14.536 7.571 2.994 1.00 3.32 C ATOM 313 CD1 LEU A 20 15.142 8.762 2.268 1.00 41.21 C ATOM 314 CD2 LEU A 20 15.630 6.667 3.544 1.00 72.22 C ATOM 0 H LEU A 20 12.393 5.604 3.003 1.00 5.32 H new ATOM 0 HA LEU A 20 12.303 7.080 5.527 1.00 44.23 H new ATOM 0 HB2 LEU A 20 13.224 9.024 3.855 1.00 11.44 H new ATOM 0 HB3 LEU A 20 14.211 8.167 5.022 1.00 11.44 H new ATOM 0 HG LEU A 20 13.944 6.999 2.280 1.00 3.32 H new ATOM 0 HD11 LEU A 20 15.795 8.408 1.471 1.00 41.21 H new ATOM 0 HD12 LEU A 20 14.346 9.371 1.841 1.00 41.21 H new ATOM 0 HD13 LEU A 20 15.720 9.361 2.971 1.00 41.21 H new ATOM 0 HD21 LEU A 20 16.277 6.342 2.729 1.00 72.22 H new ATOM 0 HD22 LEU A 20 16.220 7.215 4.279 1.00 72.22 H new ATOM 0 HD23 LEU A 20 15.178 5.796 4.018 1.00 72.22 H new ATOM 326 N PRO A 21 10.076 7.714 4.627 1.00 10.44 N ATOM 327 CA PRO A 21 8.776 8.227 4.183 1.00 22.35 C ATOM 328 C PRO A 21 8.787 9.738 3.983 1.00 52.23 C ATOM 329 O PRO A 21 9.790 10.402 4.244 1.00 12.43 O ATOM 330 CB PRO A 21 7.835 7.846 5.329 1.00 71.11 C ATOM 331 CG PRO A 21 8.716 7.746 6.526 1.00 10.10 C ATOM 332 CD PRO A 21 10.042 7.247 6.023 1.00 4.15 C ATOM 0 HA PRO A 21 8.483 7.815 3.217 1.00 22.35 H new ATOM 0 HB2 PRO A 21 7.059 8.598 5.471 1.00 71.11 H new ATOM 0 HB3 PRO A 21 7.330 6.901 5.129 1.00 71.11 H new ATOM 0 HG2 PRO A 21 8.823 8.715 7.014 1.00 10.10 H new ATOM 0 HG3 PRO A 21 8.296 7.062 7.264 1.00 10.10 H new ATOM 0 HD2 PRO A 21 10.870 7.654 6.603 1.00 4.15 H new ATOM 0 HD3 PRO A 21 10.112 6.161 6.085 1.00 4.15 H new ATOM 340 N VAL A 22 7.664 10.277 3.517 1.00 22.40 N ATOM 341 CA VAL A 22 7.544 11.711 3.283 1.00 71.33 C ATOM 342 C VAL A 22 8.264 12.507 4.365 1.00 24.31 C ATOM 343 O VAL A 22 7.923 12.422 5.544 1.00 52.11 O ATOM 344 CB VAL A 22 6.068 12.150 3.234 1.00 23.34 C ATOM 345 CG1 VAL A 22 5.335 11.697 4.488 1.00 60.22 C ATOM 346 CG2 VAL A 22 5.967 13.658 3.063 1.00 31.20 C ATOM 0 H VAL A 22 6.825 9.742 3.294 1.00 22.40 H new ATOM 0 HA VAL A 22 8.008 11.914 2.318 1.00 71.33 H new ATOM 0 HB VAL A 22 5.594 11.677 2.374 1.00 23.34 H new ATOM 0 HG11 VAL A 22 4.294 12.016 4.436 1.00 60.22 H new ATOM 0 HG12 VAL A 22 5.379 10.610 4.562 1.00 60.22 H new ATOM 0 HG13 VAL A 22 5.807 12.140 5.365 1.00 60.22 H new ATOM 0 HG21 VAL A 22 4.918 13.951 3.030 1.00 31.20 H new ATOM 0 HG22 VAL A 22 6.456 14.153 3.902 1.00 31.20 H new ATOM 0 HG23 VAL A 22 6.455 13.952 2.134 1.00 31.20 H new ATOM 356 N GLY A 23 9.265 13.281 3.956 1.00 55.43 N ATOM 357 CA GLY A 23 10.018 14.082 4.903 1.00 50.43 C ATOM 358 C GLY A 23 11.424 14.381 4.420 1.00 14.12 C ATOM 359 O GLY A 23 11.883 13.807 3.433 1.00 42.44 O ATOM 0 H GLY A 23 9.568 13.367 2.986 1.00 55.43 H new ATOM 0 HA2 GLY A 23 9.491 15.019 5.081 1.00 50.43 H new ATOM 0 HA3 GLY A 23 10.069 13.558 5.858 1.00 50.43 H new ATOM 363 N ASP A 24 12.107 15.282 5.117 1.00 43.22 N ATOM 364 CA ASP A 24 13.469 15.657 4.753 1.00 20.15 C ATOM 365 C ASP A 24 14.460 15.203 5.820 1.00 5.24 C ATOM 366 O ASP A 24 14.161 15.236 7.014 1.00 23.23 O ATOM 367 CB ASP A 24 13.569 17.170 4.557 1.00 1.52 C ATOM 368 CG ASP A 24 12.541 17.929 5.373 1.00 53.33 C ATOM 369 OD1 ASP A 24 12.730 18.050 6.601 1.00 33.20 O ATOM 370 OD2 ASP A 24 11.546 18.402 4.783 1.00 63.22 O ATOM 0 H ASP A 24 11.741 15.766 5.937 1.00 43.22 H new ATOM 0 HA ASP A 24 13.719 15.160 3.815 1.00 20.15 H new ATOM 0 HB2 ASP A 24 14.568 17.504 4.836 1.00 1.52 H new ATOM 0 HB3 ASP A 24 13.437 17.406 3.501 1.00 1.52 H new ATOM 375 N TYR A 25 15.641 14.780 5.382 1.00 74.41 N ATOM 376 CA TYR A 25 16.675 14.316 6.299 1.00 60.32 C ATOM 377 C TYR A 25 18.007 15.000 6.009 1.00 42.35 C ATOM 378 O TYR A 25 18.491 14.987 4.878 1.00 62.43 O ATOM 379 CB TYR A 25 16.835 12.798 6.194 1.00 3.15 C ATOM 380 CG TYR A 25 15.524 12.059 6.055 1.00 72.13 C ATOM 381 CD1 TYR A 25 14.829 12.057 4.851 1.00 3.24 C ATOM 382 CD2 TYR A 25 14.980 11.361 7.126 1.00 14.21 C ATOM 383 CE1 TYR A 25 13.630 11.384 4.720 1.00 63.24 C ATOM 384 CE2 TYR A 25 13.782 10.684 7.003 1.00 31.30 C ATOM 385 CZ TYR A 25 13.111 10.698 5.798 1.00 11.40 C ATOM 386 OH TYR A 25 11.918 10.025 5.670 1.00 15.24 O ATOM 0 H TYR A 25 15.906 14.749 4.397 1.00 74.41 H new ATOM 0 HA TYR A 25 16.368 14.573 7.313 1.00 60.32 H new ATOM 0 HB2 TYR A 25 17.466 12.566 5.336 1.00 3.15 H new ATOM 0 HB3 TYR A 25 17.355 12.434 7.080 1.00 3.15 H new ATOM 0 HD1 TYR A 25 15.233 12.591 4.004 1.00 3.24 H new ATOM 0 HD2 TYR A 25 15.503 11.347 8.071 1.00 14.21 H new ATOM 0 HE1 TYR A 25 13.102 11.395 3.778 1.00 63.24 H new ATOM 0 HE2 TYR A 25 13.373 10.147 7.846 1.00 31.30 H new ATOM 0 HH TYR A 25 11.423 10.379 4.902 1.00 15.24 H new ATOM 396 N ASN A 26 18.595 15.598 7.040 1.00 51.21 N ATOM 397 CA ASN A 26 19.872 16.289 6.897 1.00 35.42 C ATOM 398 C ASN A 26 21.030 15.296 6.905 1.00 5.42 C ATOM 399 O ASN A 26 20.823 14.082 6.927 1.00 12.41 O ATOM 400 CB ASN A 26 20.052 17.309 8.023 1.00 54.44 C ATOM 401 CG ASN A 26 19.016 18.416 7.971 1.00 71.13 C ATOM 402 OD1 ASN A 26 18.965 19.190 7.014 1.00 23.44 O ATOM 403 ND2 ASN A 26 18.184 18.496 9.002 1.00 34.23 N ATOM 0 H ASN A 26 18.208 15.618 7.983 1.00 51.21 H new ATOM 0 HA ASN A 26 19.870 16.811 5.940 1.00 35.42 H new ATOM 0 HB2 ASN A 26 19.988 16.800 8.985 1.00 54.44 H new ATOM 0 HB3 ASN A 26 21.049 17.745 7.959 1.00 54.44 H new ATOM 0 HD21 ASN A 26 17.466 19.220 9.023 1.00 34.23 H new ATOM 0 HD22 ASN A 26 18.263 17.833 9.773 1.00 34.23 H new ATOM 410 N LEU A 27 22.251 15.821 6.888 1.00 71.31 N ATOM 411 CA LEU A 27 23.444 14.982 6.894 1.00 62.41 C ATOM 412 C LEU A 27 23.387 13.962 8.027 1.00 61.22 C ATOM 413 O LEU A 27 23.335 12.755 7.787 1.00 5.54 O ATOM 414 CB LEU A 27 24.699 15.846 7.033 1.00 33.22 C ATOM 415 CG LEU A 27 25.974 15.115 7.453 1.00 64.42 C ATOM 416 CD1 LEU A 27 27.144 15.535 6.576 1.00 75.13 C ATOM 417 CD2 LEU A 27 26.283 15.379 8.919 1.00 1.41 C ATOM 0 H LEU A 27 22.440 16.823 6.870 1.00 71.31 H new ATOM 0 HA LEU A 27 23.484 14.444 5.947 1.00 62.41 H new ATOM 0 HB2 LEU A 27 24.884 16.338 6.078 1.00 33.22 H new ATOM 0 HB3 LEU A 27 24.497 16.630 7.762 1.00 33.22 H new ATOM 0 HG LEU A 27 25.815 14.045 7.323 1.00 64.42 H new ATOM 0 HD11 LEU A 27 28.043 15.004 6.890 1.00 75.13 H new ATOM 0 HD12 LEU A 27 26.924 15.293 5.536 1.00 75.13 H new ATOM 0 HD13 LEU A 27 27.304 16.609 6.673 1.00 75.13 H new ATOM 0 HD21 LEU A 27 27.194 14.850 9.200 1.00 1.41 H new ATOM 0 HD22 LEU A 27 26.422 16.449 9.075 1.00 1.41 H new ATOM 0 HD23 LEU A 27 25.455 15.027 9.534 1.00 1.41 H new ATOM 429 N SER A 28 23.395 14.455 9.261 1.00 13.01 N ATOM 430 CA SER A 28 23.345 13.587 10.432 1.00 64.34 C ATOM 431 C SER A 28 22.117 12.683 10.386 1.00 61.20 C ATOM 432 O SER A 28 22.181 11.511 10.756 1.00 64.40 O ATOM 433 CB SER A 28 23.330 14.423 11.713 1.00 61.23 C ATOM 434 OG SER A 28 23.478 13.602 12.859 1.00 53.52 O ATOM 0 H SER A 28 23.436 15.451 9.476 1.00 13.01 H new ATOM 0 HA SER A 28 24.236 12.960 10.427 1.00 64.34 H new ATOM 0 HB2 SER A 28 24.135 15.157 11.681 1.00 61.23 H new ATOM 0 HB3 SER A 28 22.394 14.978 11.778 1.00 61.23 H new ATOM 0 HG SER A 28 23.467 14.160 13.665 1.00 53.52 H new ATOM 440 N SER A 29 20.999 13.237 9.929 1.00 13.34 N ATOM 441 CA SER A 29 19.754 12.484 9.838 1.00 33.44 C ATOM 442 C SER A 29 19.961 11.183 9.069 1.00 62.33 C ATOM 443 O SER A 29 19.379 10.150 9.403 1.00 54.11 O ATOM 444 CB SER A 29 18.672 13.325 9.158 1.00 21.12 C ATOM 445 OG SER A 29 17.381 12.804 9.420 1.00 34.14 O ATOM 0 H SER A 29 20.930 14.205 9.616 1.00 13.34 H new ATOM 0 HA SER A 29 19.431 12.240 10.850 1.00 33.44 H new ATOM 0 HB2 SER A 29 18.731 14.354 9.512 1.00 21.12 H new ATOM 0 HB3 SER A 29 18.847 13.348 8.082 1.00 21.12 H new ATOM 0 HG SER A 29 16.709 13.500 9.264 1.00 34.14 H new ATOM 451 N LEU A 30 20.795 11.240 8.036 1.00 1.43 N ATOM 452 CA LEU A 30 21.081 10.067 7.217 1.00 1.43 C ATOM 453 C LEU A 30 21.984 9.090 7.963 1.00 71.22 C ATOM 454 O LEU A 30 21.887 7.876 7.779 1.00 54.13 O ATOM 455 CB LEU A 30 21.741 10.487 5.903 1.00 54.54 C ATOM 456 CG LEU A 30 20.795 10.961 4.798 1.00 33.14 C ATOM 457 CD1 LEU A 30 21.213 12.331 4.288 1.00 2.13 C ATOM 458 CD2 LEU A 30 20.759 9.953 3.659 1.00 50.55 C ATOM 0 H LEU A 30 21.285 12.086 7.746 1.00 1.43 H new ATOM 0 HA LEU A 30 20.137 9.567 6.999 1.00 1.43 H new ATOM 0 HB2 LEU A 30 22.450 11.288 6.115 1.00 54.54 H new ATOM 0 HB3 LEU A 30 22.317 9.643 5.523 1.00 54.54 H new ATOM 0 HG LEU A 30 19.792 11.043 5.216 1.00 33.14 H new ATOM 0 HD11 LEU A 30 20.528 12.651 3.503 1.00 2.13 H new ATOM 0 HD12 LEU A 30 21.186 13.048 5.108 1.00 2.13 H new ATOM 0 HD13 LEU A 30 22.225 12.277 3.887 1.00 2.13 H new ATOM 0 HD21 LEU A 30 20.081 10.306 2.882 1.00 50.55 H new ATOM 0 HD22 LEU A 30 21.760 9.838 3.243 1.00 50.55 H new ATOM 0 HD23 LEU A 30 20.410 8.991 4.035 1.00 50.55 H new ATOM 470 N ILE A 31 22.860 9.626 8.806 1.00 52.34 N ATOM 471 CA ILE A 31 23.777 8.801 9.581 1.00 21.22 C ATOM 472 C ILE A 31 23.021 7.916 10.566 1.00 22.34 C ATOM 473 O ILE A 31 23.383 6.759 10.782 1.00 41.13 O ATOM 474 CB ILE A 31 24.792 9.662 10.356 1.00 14.33 C ATOM 475 CG1 ILE A 31 25.369 10.750 9.448 1.00 14.23 C ATOM 476 CG2 ILE A 31 25.904 8.791 10.921 1.00 13.31 C ATOM 477 CD1 ILE A 31 25.950 10.215 8.158 1.00 12.23 C ATOM 0 H ILE A 31 22.954 10.628 8.969 1.00 52.34 H new ATOM 0 HA ILE A 31 24.314 8.173 8.870 1.00 21.22 H new ATOM 0 HB ILE A 31 24.277 10.144 11.187 1.00 14.33 H new ATOM 0 HG12 ILE A 31 24.585 11.469 9.213 1.00 14.23 H new ATOM 0 HG13 ILE A 31 26.145 11.290 9.990 1.00 14.23 H new ATOM 0 HG21 ILE A 31 26.613 9.414 11.466 1.00 13.31 H new ATOM 0 HG22 ILE A 31 25.478 8.050 11.597 1.00 13.31 H new ATOM 0 HG23 ILE A 31 26.419 8.284 10.105 1.00 13.31 H new ATOM 0 HD11 ILE A 31 26.340 11.042 7.564 1.00 12.23 H new ATOM 0 HD12 ILE A 31 26.757 9.518 8.384 1.00 12.23 H new ATOM 0 HD13 ILE A 31 25.172 9.700 7.595 1.00 12.23 H new ATOM 489 N SER A 32 21.968 8.467 11.161 1.00 10.01 N ATOM 490 CA SER A 32 21.161 7.728 12.125 1.00 2.44 C ATOM 491 C SER A 32 20.674 6.411 11.530 1.00 23.33 C ATOM 492 O SER A 32 20.631 5.387 12.213 1.00 44.01 O ATOM 493 CB SER A 32 19.966 8.571 12.574 1.00 54.23 C ATOM 494 OG SER A 32 18.947 7.757 13.129 1.00 41.14 O ATOM 0 H SER A 32 21.654 9.423 10.993 1.00 10.01 H new ATOM 0 HA SER A 32 21.786 7.506 12.990 1.00 2.44 H new ATOM 0 HB2 SER A 32 20.291 9.305 13.311 1.00 54.23 H new ATOM 0 HB3 SER A 32 19.569 9.127 11.724 1.00 54.23 H new ATOM 0 HG SER A 32 18.195 8.320 13.410 1.00 41.14 H new ATOM 500 N ARG A 33 20.308 6.445 10.253 1.00 24.11 N ATOM 501 CA ARG A 33 19.823 5.255 9.565 1.00 22.42 C ATOM 502 C ARG A 33 20.986 4.377 9.111 1.00 40.20 C ATOM 503 O ARG A 33 20.819 3.182 8.873 1.00 61.11 O ATOM 504 CB ARG A 33 18.967 5.649 8.360 1.00 0.24 C ATOM 505 CG ARG A 33 18.034 6.818 8.633 1.00 45.24 C ATOM 506 CD ARG A 33 16.988 6.464 9.678 1.00 51.25 C ATOM 507 NE ARG A 33 16.355 5.176 9.404 1.00 4.54 N ATOM 508 CZ ARG A 33 15.664 4.491 10.308 1.00 21.10 C ATOM 509 NH1 ARG A 33 15.517 4.968 11.536 1.00 32.44 N ATOM 510 NH2 ARG A 33 15.118 3.326 9.983 1.00 20.15 N ATOM 0 H ARG A 33 20.338 7.284 9.674 1.00 24.11 H new ATOM 0 HA ARG A 33 19.212 4.685 10.265 1.00 22.42 H new ATOM 0 HB2 ARG A 33 19.622 5.905 7.527 1.00 0.24 H new ATOM 0 HB3 ARG A 33 18.376 4.788 8.048 1.00 0.24 H new ATOM 0 HG2 ARG A 33 18.614 7.676 8.973 1.00 45.24 H new ATOM 0 HG3 ARG A 33 17.540 7.114 7.708 1.00 45.24 H new ATOM 0 HD2 ARG A 33 17.454 6.437 10.663 1.00 51.25 H new ATOM 0 HD3 ARG A 33 16.227 7.243 9.707 1.00 51.25 H new ATOM 0 HE ARG A 33 16.449 4.782 8.468 1.00 4.54 H new ATOM 0 HH11 ARG A 33 15.935 5.863 11.789 1.00 32.44 H new ATOM 0 HH12 ARG A 33 14.986 4.440 12.228 1.00 32.44 H new ATOM 0 HH21 ARG A 33 15.229 2.956 9.039 1.00 20.15 H new ATOM 0 HH22 ARG A 33 14.587 2.800 10.677 1.00 20.15 H new ATOM 524 N GLY A 34 22.165 4.981 8.992 1.00 20.44 N ATOM 525 CA GLY A 34 23.338 4.240 8.566 1.00 31.35 C ATOM 526 C GLY A 34 23.755 4.580 7.149 1.00 23.54 C ATOM 527 O GLY A 34 24.636 3.933 6.583 1.00 73.04 O ATOM 0 H GLY A 34 22.328 5.970 9.183 1.00 20.44 H new ATOM 0 HA2 GLY A 34 24.164 4.451 9.245 1.00 31.35 H new ATOM 0 HA3 GLY A 34 23.134 3.172 8.635 1.00 31.35 H new ATOM 531 N ALA A 35 23.121 5.596 6.575 1.00 54.10 N ATOM 532 CA ALA A 35 23.431 6.021 5.216 1.00 63.44 C ATOM 533 C ALA A 35 24.530 7.078 5.208 1.00 24.42 C ATOM 534 O ALA A 35 24.379 8.150 5.795 1.00 31.23 O ATOM 535 CB ALA A 35 22.181 6.551 4.530 1.00 42.53 C ATOM 0 H ALA A 35 22.389 6.141 7.030 1.00 54.10 H new ATOM 0 HA ALA A 35 23.794 5.153 4.665 1.00 63.44 H new ATOM 0 HB1 ALA A 35 22.428 6.865 3.516 1.00 42.53 H new ATOM 0 HB2 ALA A 35 21.426 5.766 4.493 1.00 42.53 H new ATOM 0 HB3 ALA A 35 21.793 7.403 5.089 1.00 42.53 H new ATOM 541 N LEU A 36 25.637 6.769 4.541 1.00 31.11 N ATOM 542 CA LEU A 36 26.763 7.693 4.458 1.00 71.32 C ATOM 543 C LEU A 36 26.475 8.814 3.465 1.00 13.53 C ATOM 544 O LEU A 36 26.013 8.568 2.352 1.00 64.01 O ATOM 545 CB LEU A 36 28.032 6.945 4.045 1.00 21.14 C ATOM 546 CG LEU A 36 29.349 7.513 4.576 1.00 14.42 C ATOM 547 CD1 LEU A 36 29.581 8.916 4.035 1.00 21.42 C ATOM 548 CD2 LEU A 36 29.352 7.519 6.098 1.00 52.51 C ATOM 0 H LEU A 36 25.779 5.886 4.050 1.00 31.11 H new ATOM 0 HA LEU A 36 26.913 8.134 5.443 1.00 71.32 H new ATOM 0 HB2 LEU A 36 27.945 5.911 4.378 1.00 21.14 H new ATOM 0 HB3 LEU A 36 28.080 6.926 2.956 1.00 21.14 H new ATOM 0 HG LEU A 36 30.163 6.874 4.234 1.00 14.42 H new ATOM 0 HD11 LEU A 36 30.523 9.305 4.423 1.00 21.42 H new ATOM 0 HD12 LEU A 36 29.623 8.884 2.946 1.00 21.42 H new ATOM 0 HD13 LEU A 36 28.764 9.566 4.347 1.00 21.42 H new ATOM 0 HD21 LEU A 36 30.297 7.926 6.458 1.00 52.51 H new ATOM 0 HD22 LEU A 36 28.529 8.135 6.461 1.00 52.51 H new ATOM 0 HD23 LEU A 36 29.232 6.500 6.466 1.00 52.51 H new ATOM 560 N ASN A 37 26.752 10.047 3.877 1.00 41.52 N ATOM 561 CA ASN A 37 26.524 11.208 3.023 1.00 21.40 C ATOM 562 C ASN A 37 27.254 11.055 1.692 1.00 54.02 C ATOM 563 O ASN A 37 26.629 10.860 0.649 1.00 41.53 O ATOM 564 CB ASN A 37 26.987 12.484 3.728 1.00 41.43 C ATOM 565 CG ASN A 37 26.372 12.640 5.105 1.00 55.42 C ATOM 566 OD1 ASN A 37 25.234 13.090 5.241 1.00 75.21 O ATOM 567 ND2 ASN A 37 27.124 12.269 6.134 1.00 35.03 N ATOM 0 H ASN A 37 27.134 10.268 4.796 1.00 41.52 H new ATOM 0 HA ASN A 37 25.455 11.278 2.825 1.00 21.40 H new ATOM 0 HB2 ASN A 37 28.073 12.472 3.818 1.00 41.43 H new ATOM 0 HB3 ASN A 37 26.727 13.348 3.117 1.00 41.43 H new ATOM 0 HD21 ASN A 37 26.764 12.352 7.085 1.00 35.03 H new ATOM 0 HD22 ASN A 37 28.062 11.901 5.974 1.00 35.03 H new ATOM 574 N ASP A 38 28.578 11.144 1.736 1.00 43.11 N ATOM 575 CA ASP A 38 29.394 11.014 0.534 1.00 52.32 C ATOM 576 C ASP A 38 30.060 9.643 0.475 1.00 40.34 C ATOM 577 O ASP A 38 31.224 9.491 0.845 1.00 2.33 O ATOM 578 CB ASP A 38 30.456 12.114 0.491 1.00 23.34 C ATOM 579 CG ASP A 38 31.327 12.125 1.732 1.00 4.12 C ATOM 580 OD1 ASP A 38 30.813 12.474 2.816 1.00 51.04 O ATOM 581 OD2 ASP A 38 32.523 11.784 1.620 1.00 3.30 O ATOM 0 H ASP A 38 29.110 11.306 2.591 1.00 43.11 H new ATOM 0 HA ASP A 38 28.740 11.118 -0.332 1.00 52.32 H new ATOM 0 HB2 ASP A 38 31.084 11.975 -0.389 1.00 23.34 H new ATOM 0 HB3 ASP A 38 29.968 13.083 0.384 1.00 23.34 H new ATOM 586 N ASP A 39 29.314 8.648 0.007 1.00 11.44 N ATOM 587 CA ASP A 39 29.832 7.290 -0.100 1.00 60.54 C ATOM 588 C ASP A 39 28.731 6.320 -0.518 1.00 61.24 C ATOM 589 O ASP A 39 28.992 5.317 -1.184 1.00 23.43 O ATOM 590 CB ASP A 39 30.441 6.846 1.231 1.00 41.13 C ATOM 591 CG ASP A 39 30.537 5.338 1.350 1.00 71.35 C ATOM 592 OD1 ASP A 39 31.007 4.695 0.387 1.00 3.13 O ATOM 593 OD2 ASP A 39 30.142 4.800 2.405 1.00 24.01 O ATOM 0 H ASP A 39 28.349 8.757 -0.304 1.00 11.44 H new ATOM 0 HA ASP A 39 30.608 7.283 -0.865 1.00 60.54 H new ATOM 0 HB2 ASP A 39 31.436 7.280 1.335 1.00 41.13 H new ATOM 0 HB3 ASP A 39 29.837 7.234 2.051 1.00 41.13 H new ATOM 598 N LEU A 40 27.500 6.625 -0.123 1.00 70.34 N ATOM 599 CA LEU A 40 26.358 5.780 -0.456 1.00 64.41 C ATOM 600 C LEU A 40 26.383 5.387 -1.930 1.00 32.33 C ATOM 601 O LEU A 40 27.046 6.030 -2.743 1.00 52.21 O ATOM 602 CB LEU A 40 25.051 6.504 -0.131 1.00 72.12 C ATOM 603 CG LEU A 40 23.984 5.675 0.585 1.00 62.41 C ATOM 604 CD1 LEU A 40 24.526 5.126 1.896 1.00 73.23 C ATOM 605 CD2 LEU A 40 22.735 6.509 0.829 1.00 21.22 C ATOM 0 H LEU A 40 27.267 7.451 0.428 1.00 70.34 H new ATOM 0 HA LEU A 40 26.422 4.872 0.144 1.00 64.41 H new ATOM 0 HB2 LEU A 40 25.284 7.371 0.487 1.00 72.12 H new ATOM 0 HB3 LEU A 40 24.626 6.880 -1.062 1.00 72.12 H new ATOM 0 HG LEU A 40 23.715 4.834 -0.054 1.00 62.41 H new ATOM 0 HD11 LEU A 40 23.753 4.539 2.392 1.00 73.23 H new ATOM 0 HD12 LEU A 40 25.390 4.493 1.696 1.00 73.23 H new ATOM 0 HD13 LEU A 40 24.824 5.953 2.541 1.00 73.23 H new ATOM 0 HD21 LEU A 40 21.987 5.903 1.339 1.00 21.22 H new ATOM 0 HD22 LEU A 40 22.988 7.370 1.448 1.00 21.22 H new ATOM 0 HD23 LEU A 40 22.335 6.852 -0.125 1.00 21.22 H new ATOM 617 N SER A 41 25.654 4.327 -2.267 1.00 11.44 N ATOM 618 CA SER A 41 25.593 3.848 -3.642 1.00 62.43 C ATOM 619 C SER A 41 24.478 4.547 -4.413 1.00 14.31 C ATOM 620 O SER A 41 24.722 5.190 -5.434 1.00 71.41 O ATOM 621 CB SER A 41 25.374 2.334 -3.667 1.00 60.35 C ATOM 622 OG SER A 41 24.833 1.917 -4.909 1.00 44.34 O ATOM 0 H SER A 41 25.098 3.784 -1.606 1.00 11.44 H new ATOM 0 HA SER A 41 26.543 4.079 -4.123 1.00 62.43 H new ATOM 0 HB2 SER A 41 26.321 1.824 -3.489 1.00 60.35 H new ATOM 0 HB3 SER A 41 24.701 2.047 -2.859 1.00 60.35 H new ATOM 0 HG SER A 41 23.959 1.499 -4.761 1.00 44.34 H new ATOM 628 N SER A 42 23.252 4.417 -3.916 1.00 11.35 N ATOM 629 CA SER A 42 22.097 5.033 -4.558 1.00 51.32 C ATOM 630 C SER A 42 20.820 4.741 -3.776 1.00 10.30 C ATOM 631 O SER A 42 20.863 4.460 -2.579 1.00 22.03 O ATOM 632 CB SER A 42 21.956 4.526 -5.995 1.00 15.42 C ATOM 633 OG SER A 42 21.328 5.494 -6.818 1.00 1.53 O ATOM 0 H SER A 42 23.033 3.890 -3.070 1.00 11.35 H new ATOM 0 HA SER A 42 22.253 6.112 -4.574 1.00 51.32 H new ATOM 0 HB2 SER A 42 22.940 4.285 -6.397 1.00 15.42 H new ATOM 0 HB3 SER A 42 21.374 3.604 -6.003 1.00 15.42 H new ATOM 0 HG SER A 42 21.086 6.275 -6.278 1.00 1.53 H new ATOM 639 N ALA A 43 19.684 4.811 -4.462 1.00 61.34 N ATOM 640 CA ALA A 43 18.395 4.552 -3.834 1.00 13.31 C ATOM 641 C ALA A 43 17.341 4.184 -4.873 1.00 64.31 C ATOM 642 O ALA A 43 17.281 4.781 -5.948 1.00 61.52 O ATOM 643 CB ALA A 43 17.946 5.765 -3.032 1.00 30.12 C ATOM 0 H ALA A 43 19.631 5.045 -5.453 1.00 61.34 H new ATOM 0 HA ALA A 43 18.512 3.705 -3.158 1.00 13.31 H new ATOM 0 HB1 ALA A 43 16.982 5.558 -2.568 1.00 30.12 H new ATOM 0 HB2 ALA A 43 18.682 5.982 -2.258 1.00 30.12 H new ATOM 0 HB3 ALA A 43 17.852 6.625 -3.695 1.00 30.12 H new ATOM 649 N ARG A 44 16.514 3.197 -4.546 1.00 34.13 N ATOM 650 CA ARG A 44 15.464 2.748 -5.452 1.00 72.12 C ATOM 651 C ARG A 44 14.104 3.290 -5.021 1.00 22.34 C ATOM 652 O ARG A 44 13.564 2.891 -3.989 1.00 21.32 O ATOM 653 CB ARG A 44 15.423 1.219 -5.502 1.00 40.42 C ATOM 654 CG ARG A 44 14.428 0.669 -6.510 1.00 55.34 C ATOM 655 CD ARG A 44 13.257 -0.015 -5.821 1.00 63.04 C ATOM 656 NE ARG A 44 12.421 -0.752 -6.765 1.00 64.12 N ATOM 657 CZ ARG A 44 11.559 -0.171 -7.592 1.00 63.44 C ATOM 658 NH1 ARG A 44 11.421 1.147 -7.592 1.00 51.23 N ATOM 659 NH2 ARG A 44 10.834 -0.910 -8.422 1.00 71.13 N ATOM 0 H ARG A 44 16.551 2.693 -3.660 1.00 34.13 H new ATOM 0 HA ARG A 44 15.690 3.132 -6.447 1.00 72.12 H new ATOM 0 HB2 ARG A 44 16.418 0.845 -5.745 1.00 40.42 H new ATOM 0 HB3 ARG A 44 15.172 0.838 -4.512 1.00 40.42 H new ATOM 0 HG2 ARG A 44 14.059 1.480 -7.138 1.00 55.34 H new ATOM 0 HG3 ARG A 44 14.930 -0.041 -7.168 1.00 55.34 H new ATOM 0 HD2 ARG A 44 13.633 -0.698 -5.060 1.00 63.04 H new ATOM 0 HD3 ARG A 44 12.652 0.732 -5.308 1.00 63.04 H new ATOM 0 HE ARG A 44 12.504 -1.768 -6.791 1.00 64.12 H new ATOM 0 HH11 ARG A 44 11.977 1.718 -6.956 1.00 51.23 H new ATOM 0 HH12 ARG A 44 10.758 1.590 -8.228 1.00 51.23 H new ATOM 0 HH21 ARG A 44 10.938 -1.925 -8.425 1.00 71.13 H new ATOM 0 HH22 ARG A 44 10.172 -0.463 -9.057 1.00 71.13 H new ATOM 673 N VAL A 45 13.556 4.202 -5.817 1.00 44.03 N ATOM 674 CA VAL A 45 12.260 4.799 -5.518 1.00 70.54 C ATOM 675 C VAL A 45 11.167 4.211 -6.405 1.00 4.41 C ATOM 676 O VAL A 45 11.290 4.156 -7.629 1.00 34.43 O ATOM 677 CB VAL A 45 12.290 6.327 -5.703 1.00 54.33 C ATOM 678 CG1 VAL A 45 12.895 6.691 -7.051 1.00 33.23 C ATOM 679 CG2 VAL A 45 10.890 6.908 -5.564 1.00 23.40 C ATOM 0 H VAL A 45 13.990 4.544 -6.675 1.00 44.03 H new ATOM 0 HA VAL A 45 12.039 4.572 -4.475 1.00 70.54 H new ATOM 0 HB VAL A 45 12.917 6.757 -4.922 1.00 54.33 H new ATOM 0 HG11 VAL A 45 12.908 7.775 -7.163 1.00 33.23 H new ATOM 0 HG12 VAL A 45 13.914 6.308 -7.108 1.00 33.23 H new ATOM 0 HG13 VAL A 45 12.297 6.250 -7.849 1.00 33.23 H new ATOM 0 HG21 VAL A 45 10.930 7.989 -5.698 1.00 23.40 H new ATOM 0 HG22 VAL A 45 10.238 6.472 -6.322 1.00 23.40 H new ATOM 0 HG23 VAL A 45 10.498 6.679 -4.573 1.00 23.40 H new ATOM 689 N PRO A 46 10.072 3.763 -5.775 1.00 33.33 N ATOM 690 CA PRO A 46 8.935 3.172 -6.487 1.00 53.42 C ATOM 691 C PRO A 46 8.163 4.204 -7.303 1.00 32.12 C ATOM 692 O PRO A 46 8.549 5.371 -7.370 1.00 73.14 O ATOM 693 CB PRO A 46 8.059 2.618 -5.361 1.00 24.44 C ATOM 694 CG PRO A 46 8.404 3.446 -4.171 1.00 34.51 C ATOM 695 CD PRO A 46 9.858 3.798 -4.318 1.00 61.32 C ATOM 0 HA PRO A 46 9.253 2.419 -7.208 1.00 53.42 H new ATOM 0 HB2 PRO A 46 7.000 2.699 -5.607 1.00 24.44 H new ATOM 0 HB3 PRO A 46 8.265 1.563 -5.182 1.00 24.44 H new ATOM 0 HG2 PRO A 46 7.788 4.344 -4.129 1.00 34.51 H new ATOM 0 HG3 PRO A 46 8.228 2.894 -3.248 1.00 34.51 H new ATOM 0 HD2 PRO A 46 10.077 4.782 -3.903 1.00 61.32 H new ATOM 0 HD3 PRO A 46 10.499 3.084 -3.800 1.00 61.32 H new ATOM 703 N SER A 47 7.070 3.766 -7.920 1.00 42.13 N ATOM 704 CA SER A 47 6.246 4.651 -8.734 1.00 54.44 C ATOM 705 C SER A 47 5.339 5.509 -7.857 1.00 31.24 C ATOM 706 O SER A 47 4.835 5.051 -6.832 1.00 2.53 O ATOM 707 CB SER A 47 5.402 3.837 -9.717 1.00 34.14 C ATOM 708 OG SER A 47 6.044 2.620 -10.054 1.00 64.11 O ATOM 0 H SER A 47 6.735 2.804 -7.871 1.00 42.13 H new ATOM 0 HA SER A 47 6.909 5.310 -9.295 1.00 54.44 H new ATOM 0 HB2 SER A 47 4.427 3.628 -9.277 1.00 34.14 H new ATOM 0 HB3 SER A 47 5.226 4.421 -10.620 1.00 34.14 H new ATOM 0 HG SER A 47 5.484 2.118 -10.682 1.00 64.11 H new ATOM 714 N GLY A 48 5.136 6.757 -8.268 1.00 12.04 N ATOM 715 CA GLY A 48 4.290 7.660 -7.508 1.00 65.33 C ATOM 716 C GLY A 48 5.006 8.255 -6.312 1.00 34.35 C ATOM 717 O GLY A 48 4.399 8.474 -5.262 1.00 71.31 O ATOM 0 H GLY A 48 5.542 7.159 -9.113 1.00 12.04 H new ATOM 0 HA2 GLY A 48 3.945 8.464 -8.158 1.00 65.33 H new ATOM 0 HA3 GLY A 48 3.404 7.123 -7.168 1.00 65.33 H new ATOM 721 N LEU A 49 6.299 8.516 -6.467 1.00 33.22 N ATOM 722 CA LEU A 49 7.099 9.088 -5.389 1.00 74.23 C ATOM 723 C LEU A 49 8.261 9.903 -5.947 1.00 54.34 C ATOM 724 O LEU A 49 8.970 9.455 -6.848 1.00 3.01 O ATOM 725 CB LEU A 49 7.630 7.980 -4.478 1.00 75.31 C ATOM 726 CG LEU A 49 8.147 8.426 -3.110 1.00 63.13 C ATOM 727 CD1 LEU A 49 8.214 7.246 -2.154 1.00 31.53 C ATOM 728 CD2 LEU A 49 9.513 9.083 -3.245 1.00 62.05 C ATOM 0 H LEU A 49 6.816 8.341 -7.329 1.00 33.22 H new ATOM 0 HA LEU A 49 6.459 9.752 -4.808 1.00 74.23 H new ATOM 0 HB2 LEU A 49 6.834 7.252 -4.323 1.00 75.31 H new ATOM 0 HB3 LEU A 49 8.437 7.465 -4.999 1.00 75.31 H new ATOM 0 HG LEU A 49 7.452 9.159 -2.701 1.00 63.13 H new ATOM 0 HD11 LEU A 49 8.584 7.583 -1.186 1.00 31.53 H new ATOM 0 HD12 LEU A 49 7.219 6.819 -2.033 1.00 31.53 H new ATOM 0 HD13 LEU A 49 8.887 6.489 -2.557 1.00 31.53 H new ATOM 0 HD21 LEU A 49 9.866 9.394 -2.262 1.00 62.05 H new ATOM 0 HD22 LEU A 49 10.218 8.372 -3.675 1.00 62.05 H new ATOM 0 HD23 LEU A 49 9.435 9.954 -3.895 1.00 62.05 H new ATOM 740 N ARG A 50 8.450 11.102 -5.405 1.00 71.23 N ATOM 741 CA ARG A 50 9.526 11.979 -5.848 1.00 45.44 C ATOM 742 C ARG A 50 10.440 12.350 -4.684 1.00 12.23 C ATOM 743 O ARG A 50 9.998 12.436 -3.537 1.00 50.21 O ATOM 744 CB ARG A 50 8.951 13.247 -6.483 1.00 64.11 C ATOM 745 CG ARG A 50 10.012 14.193 -7.023 1.00 74.42 C ATOM 746 CD ARG A 50 10.197 15.398 -6.115 1.00 45.22 C ATOM 747 NE ARG A 50 10.534 16.604 -6.868 1.00 33.31 N ATOM 748 CZ ARG A 50 10.471 17.829 -6.359 1.00 43.21 C ATOM 749 NH1 ARG A 50 10.088 18.010 -5.103 1.00 10.22 N ATOM 750 NH2 ARG A 50 10.793 18.877 -7.107 1.00 64.32 N ATOM 0 H ARG A 50 7.872 11.488 -4.659 1.00 71.23 H new ATOM 0 HA ARG A 50 10.114 11.442 -6.592 1.00 45.44 H new ATOM 0 HB2 ARG A 50 8.281 12.965 -7.295 1.00 64.11 H new ATOM 0 HB3 ARG A 50 8.350 13.774 -5.742 1.00 64.11 H new ATOM 0 HG2 ARG A 50 10.959 13.662 -7.122 1.00 74.42 H new ATOM 0 HG3 ARG A 50 9.729 14.528 -8.021 1.00 74.42 H new ATOM 0 HD2 ARG A 50 9.282 15.569 -5.548 1.00 45.22 H new ATOM 0 HD3 ARG A 50 10.986 15.190 -5.392 1.00 45.22 H new ATOM 0 HE ARG A 50 10.834 16.499 -7.837 1.00 33.31 H new ATOM 0 HH11 ARG A 50 9.841 17.207 -4.525 1.00 10.22 H new ATOM 0 HH12 ARG A 50 10.041 18.952 -4.715 1.00 10.22 H new ATOM 0 HH21 ARG A 50 11.089 18.742 -8.074 1.00 64.32 H new ATOM 0 HH22 ARG A 50 10.744 19.817 -6.715 1.00 64.32 H new ATOM 764 N LEU A 51 11.715 12.568 -4.985 1.00 41.21 N ATOM 765 CA LEU A 51 12.692 12.929 -3.963 1.00 52.54 C ATOM 766 C LEU A 51 13.764 13.851 -4.537 1.00 31.35 C ATOM 767 O LEU A 51 14.097 13.770 -5.718 1.00 42.22 O ATOM 768 CB LEU A 51 13.341 11.672 -3.383 1.00 31.10 C ATOM 769 CG LEU A 51 13.801 10.625 -4.398 1.00 33.53 C ATOM 770 CD1 LEU A 51 15.315 10.488 -4.374 1.00 61.55 C ATOM 771 CD2 LEU A 51 13.138 9.284 -4.118 1.00 33.31 C ATOM 0 H LEU A 51 12.097 12.501 -5.928 1.00 41.21 H new ATOM 0 HA LEU A 51 12.170 13.460 -3.167 1.00 52.54 H new ATOM 0 HB2 LEU A 51 14.202 11.974 -2.787 1.00 31.10 H new ATOM 0 HB3 LEU A 51 12.631 11.202 -2.702 1.00 31.10 H new ATOM 0 HG LEU A 51 13.502 10.955 -5.393 1.00 33.53 H new ATOM 0 HD11 LEU A 51 15.624 9.739 -5.103 1.00 61.55 H new ATOM 0 HD12 LEU A 51 15.771 11.446 -4.623 1.00 61.55 H new ATOM 0 HD13 LEU A 51 15.637 10.181 -3.379 1.00 61.55 H new ATOM 0 HD21 LEU A 51 13.477 8.551 -4.850 1.00 33.31 H new ATOM 0 HD22 LEU A 51 13.406 8.948 -3.116 1.00 33.31 H new ATOM 0 HD23 LEU A 51 12.056 9.392 -4.187 1.00 33.31 H new ATOM 783 N GLU A 52 14.301 14.724 -3.690 1.00 21.30 N ATOM 784 CA GLU A 52 15.337 15.659 -4.113 1.00 72.11 C ATOM 785 C GLU A 52 16.657 15.365 -3.407 1.00 21.43 C ATOM 786 O GLU A 52 16.677 15.000 -2.231 1.00 4.30 O ATOM 787 CB GLU A 52 14.903 17.098 -3.828 1.00 11.22 C ATOM 788 CG GLU A 52 13.849 17.619 -4.791 1.00 65.32 C ATOM 789 CD GLU A 52 13.388 19.022 -4.449 1.00 5.11 C ATOM 790 OE1 GLU A 52 13.430 19.386 -3.255 1.00 41.54 O ATOM 791 OE2 GLU A 52 12.986 19.756 -5.376 1.00 1.22 O ATOM 0 H GLU A 52 14.036 14.803 -2.708 1.00 21.30 H new ATOM 0 HA GLU A 52 15.484 15.537 -5.186 1.00 72.11 H new ATOM 0 HB2 GLU A 52 14.515 17.157 -2.811 1.00 11.22 H new ATOM 0 HB3 GLU A 52 15.777 17.748 -3.873 1.00 11.22 H new ATOM 0 HG2 GLU A 52 14.252 17.610 -5.804 1.00 65.32 H new ATOM 0 HG3 GLU A 52 12.991 16.947 -4.783 1.00 65.32 H new ATOM 798 N VAL A 53 17.759 15.525 -4.133 1.00 73.23 N ATOM 799 CA VAL A 53 19.084 15.277 -3.578 1.00 13.25 C ATOM 800 C VAL A 53 19.807 16.585 -3.278 1.00 42.30 C ATOM 801 O VAL A 53 20.065 17.385 -4.178 1.00 63.31 O ATOM 802 CB VAL A 53 19.946 14.434 -4.536 1.00 52.20 C ATOM 803 CG1 VAL A 53 21.246 14.021 -3.862 1.00 54.53 C ATOM 804 CG2 VAL A 53 19.173 13.214 -5.014 1.00 53.51 C ATOM 0 H VAL A 53 17.760 15.826 -5.108 1.00 73.23 H new ATOM 0 HA VAL A 53 18.940 14.724 -2.650 1.00 13.25 H new ATOM 0 HB VAL A 53 20.193 15.043 -5.406 1.00 52.20 H new ATOM 0 HG11 VAL A 53 21.842 13.426 -4.554 1.00 54.53 H new ATOM 0 HG12 VAL A 53 21.805 14.911 -3.574 1.00 54.53 H new ATOM 0 HG13 VAL A 53 21.023 13.429 -2.974 1.00 54.53 H new ATOM 0 HG21 VAL A 53 19.797 12.630 -5.690 1.00 53.51 H new ATOM 0 HG22 VAL A 53 18.894 12.601 -4.157 1.00 53.51 H new ATOM 0 HG23 VAL A 53 18.273 13.536 -5.538 1.00 53.51 H new ATOM 814 N PHE A 54 20.133 16.797 -2.007 1.00 52.42 N ATOM 815 CA PHE A 54 20.827 18.009 -1.588 1.00 11.41 C ATOM 816 C PHE A 54 22.293 17.718 -1.283 1.00 45.50 C ATOM 817 O PHE A 54 22.641 17.334 -0.167 1.00 31.30 O ATOM 818 CB PHE A 54 20.148 18.611 -0.356 1.00 12.01 C ATOM 819 CG PHE A 54 18.648 18.603 -0.434 1.00 51.23 C ATOM 820 CD1 PHE A 54 17.996 19.138 -1.534 1.00 34.44 C ATOM 821 CD2 PHE A 54 17.890 18.062 0.592 1.00 62.33 C ATOM 822 CE1 PHE A 54 16.615 19.132 -1.609 1.00 64.32 C ATOM 823 CE2 PHE A 54 16.510 18.053 0.522 1.00 71.55 C ATOM 824 CZ PHE A 54 15.872 18.589 -0.580 1.00 13.24 C ATOM 0 H PHE A 54 19.928 16.145 -1.250 1.00 52.42 H new ATOM 0 HA PHE A 54 20.780 18.726 -2.407 1.00 11.41 H new ATOM 0 HB2 PHE A 54 20.461 18.056 0.529 1.00 12.01 H new ATOM 0 HB3 PHE A 54 20.492 19.637 -0.227 1.00 12.01 H new ATOM 0 HD1 PHE A 54 18.573 19.564 -2.341 1.00 34.44 H new ATOM 0 HD2 PHE A 54 18.383 17.643 1.456 1.00 62.33 H new ATOM 0 HE1 PHE A 54 16.119 19.552 -2.471 1.00 64.32 H new ATOM 0 HE2 PHE A 54 15.931 17.627 1.328 1.00 71.55 H new ATOM 0 HZ PHE A 54 14.793 18.583 -0.636 1.00 13.24 H new ATOM 834 N GLN A 55 23.148 17.905 -2.284 1.00 31.12 N ATOM 835 CA GLN A 55 24.577 17.661 -2.123 1.00 54.33 C ATOM 836 C GLN A 55 25.118 18.387 -0.896 1.00 41.43 C ATOM 837 O GLN A 55 25.805 17.794 -0.064 1.00 14.13 O ATOM 838 CB GLN A 55 25.336 18.111 -3.373 1.00 34.21 C ATOM 839 CG GLN A 55 25.017 17.285 -4.609 1.00 35.24 C ATOM 840 CD GLN A 55 25.964 16.116 -4.790 1.00 24.31 C ATOM 841 OE1 GLN A 55 27.079 16.277 -5.288 1.00 31.30 O ATOM 842 NE2 GLN A 55 25.526 14.929 -4.385 1.00 52.43 N ATOM 0 H GLN A 55 22.876 18.224 -3.214 1.00 31.12 H new ATOM 0 HA GLN A 55 24.724 16.590 -1.983 1.00 54.33 H new ATOM 0 HB2 GLN A 55 25.101 19.156 -3.574 1.00 34.21 H new ATOM 0 HB3 GLN A 55 26.407 18.057 -3.177 1.00 34.21 H new ATOM 0 HG2 GLN A 55 23.995 16.912 -4.538 1.00 35.24 H new ATOM 0 HG3 GLN A 55 25.063 17.925 -5.490 1.00 35.24 H new ATOM 0 HE21 GLN A 55 24.595 14.841 -3.978 1.00 52.43 H new ATOM 0 HE22 GLN A 55 26.121 14.106 -4.481 1.00 52.43 H new ATOM 851 N HIS A 56 24.805 19.675 -0.791 1.00 3.03 N ATOM 852 CA HIS A 56 25.261 20.483 0.335 1.00 33.54 C ATOM 853 C HIS A 56 24.327 20.323 1.531 1.00 33.22 C ATOM 854 O HIS A 56 23.163 19.955 1.377 1.00 11.31 O ATOM 855 CB HIS A 56 25.346 21.955 -0.067 1.00 55.11 C ATOM 856 CG HIS A 56 26.524 22.669 0.520 1.00 40.45 C ATOM 857 ND1 HIS A 56 27.645 23.000 -0.213 1.00 14.12 N ATOM 858 CD2 HIS A 56 26.752 23.118 1.776 1.00 14.21 C ATOM 859 CE1 HIS A 56 28.511 23.620 0.568 1.00 23.23 C ATOM 860 NE2 HIS A 56 27.993 23.705 1.780 1.00 23.34 N ATOM 0 H HIS A 56 24.238 20.181 -1.471 1.00 3.03 H new ATOM 0 HA HIS A 56 26.253 20.135 0.622 1.00 33.54 H new ATOM 0 HB2 HIS A 56 25.394 22.024 -1.154 1.00 55.11 H new ATOM 0 HB3 HIS A 56 24.432 22.462 0.244 1.00 55.11 H new ATOM 0 HD2 HIS A 56 26.082 23.031 2.619 1.00 14.21 H new ATOM 0 HE1 HIS A 56 29.478 23.994 0.267 1.00 23.23 H new ATOM 0 HE2 HIS A 56 28.442 24.137 2.588 1.00 23.34 H new ATOM 868 N ASN A 57 24.846 20.601 2.723 1.00 71.13 N ATOM 869 CA ASN A 57 24.059 20.487 3.945 1.00 34.40 C ATOM 870 C ASN A 57 23.462 21.835 4.336 1.00 54.24 C ATOM 871 O ASN A 57 23.347 22.155 5.518 1.00 52.52 O ATOM 872 CB ASN A 57 24.925 19.950 5.086 1.00 1.12 C ATOM 873 CG ASN A 57 25.997 20.935 5.510 1.00 3.34 C ATOM 874 OD1 ASN A 57 25.791 21.741 6.418 1.00 43.20 O ATOM 875 ND2 ASN A 57 27.150 20.875 4.853 1.00 34.43 N ATOM 0 H ASN A 57 25.808 20.907 2.868 1.00 71.13 H new ATOM 0 HA ASN A 57 23.243 19.789 3.758 1.00 34.40 H new ATOM 0 HB2 ASN A 57 24.291 19.717 5.941 1.00 1.12 H new ATOM 0 HB3 ASN A 57 25.395 19.017 4.774 1.00 1.12 H new ATOM 0 HD21 ASN A 57 27.908 21.513 5.094 1.00 34.43 H new ATOM 0 HD22 ASN A 57 27.277 20.191 4.107 1.00 34.43 H new ATOM 882 N ASN A 58 23.082 22.621 3.333 1.00 65.00 N ATOM 883 CA ASN A 58 22.497 23.935 3.571 1.00 11.22 C ATOM 884 C ASN A 58 21.665 24.385 2.374 1.00 12.22 C ATOM 885 O ASN A 58 21.443 25.579 2.172 1.00 2.31 O ATOM 886 CB ASN A 58 23.595 24.961 3.858 1.00 51.40 C ATOM 887 CG ASN A 58 23.148 26.027 4.841 1.00 64.42 C ATOM 888 OD1 ASN A 58 22.785 27.136 4.449 1.00 63.32 O ATOM 889 ND2 ASN A 58 23.174 25.693 6.126 1.00 12.40 N ATOM 0 H ASN A 58 23.169 22.370 2.348 1.00 65.00 H new ATOM 0 HA ASN A 58 21.842 23.862 4.439 1.00 11.22 H new ATOM 0 HB2 ASN A 58 24.472 24.449 4.255 1.00 51.40 H new ATOM 0 HB3 ASN A 58 23.898 25.435 2.925 1.00 51.40 H new ATOM 0 HD21 ASN A 58 22.885 26.368 6.834 1.00 12.40 H new ATOM 0 HD22 ASN A 58 23.482 24.762 6.405 1.00 12.40 H new ATOM 896 N PHE A 59 21.206 23.421 1.583 1.00 31.35 N ATOM 897 CA PHE A 59 20.398 23.717 0.406 1.00 64.10 C ATOM 898 C PHE A 59 21.077 24.766 -0.469 1.00 43.42 C ATOM 899 O PHE A 59 20.413 25.560 -1.136 1.00 10.21 O ATOM 900 CB PHE A 59 19.010 24.206 0.823 1.00 32.44 C ATOM 901 CG PHE A 59 18.044 23.092 1.111 1.00 31.13 C ATOM 902 CD1 PHE A 59 17.996 22.505 2.366 1.00 42.43 C ATOM 903 CD2 PHE A 59 17.184 22.631 0.127 1.00 0.33 C ATOM 904 CE1 PHE A 59 17.108 21.481 2.634 1.00 23.41 C ATOM 905 CE2 PHE A 59 16.294 21.607 0.390 1.00 52.30 C ATOM 906 CZ PHE A 59 16.257 21.030 1.644 1.00 13.44 C ATOM 0 H PHE A 59 21.380 22.428 1.736 1.00 31.35 H new ATOM 0 HA PHE A 59 20.293 22.799 -0.172 1.00 64.10 H new ATOM 0 HB2 PHE A 59 19.105 24.832 1.710 1.00 32.44 H new ATOM 0 HB3 PHE A 59 18.602 24.835 0.032 1.00 32.44 H new ATOM 0 HD1 PHE A 59 18.661 22.852 3.143 1.00 42.43 H new ATOM 0 HD2 PHE A 59 17.210 23.077 -0.856 1.00 0.33 H new ATOM 0 HE1 PHE A 59 17.079 21.034 3.617 1.00 23.41 H new ATOM 0 HE2 PHE A 59 15.628 21.258 -0.385 1.00 52.30 H new ATOM 0 HZ PHE A 59 15.564 20.228 1.850 1.00 13.44 H new ATOM 916 N LYS A 60 22.406 24.765 -0.462 1.00 20.45 N ATOM 917 CA LYS A 60 23.178 25.715 -1.254 1.00 75.30 C ATOM 918 C LYS A 60 23.519 25.132 -2.621 1.00 63.45 C ATOM 919 O LYS A 60 23.063 25.628 -3.650 1.00 44.54 O ATOM 920 CB LYS A 60 24.462 26.101 -0.517 1.00 31.31 C ATOM 921 CG LYS A 60 25.379 27.003 -1.324 1.00 51.04 C ATOM 922 CD LYS A 60 26.470 26.208 -2.022 1.00 50.42 C ATOM 923 CE LYS A 60 27.787 26.969 -2.044 1.00 13.44 C ATOM 924 NZ LYS A 60 28.871 26.222 -1.349 1.00 31.44 N ATOM 0 H LYS A 60 22.971 24.115 0.085 1.00 20.45 H new ATOM 0 HA LYS A 60 22.569 26.607 -1.401 1.00 75.30 H new ATOM 0 HB2 LYS A 60 24.199 26.603 0.414 1.00 31.31 H new ATOM 0 HB3 LYS A 60 25.003 25.194 -0.248 1.00 31.31 H new ATOM 0 HG2 LYS A 60 24.794 27.549 -2.065 1.00 51.04 H new ATOM 0 HG3 LYS A 60 25.832 27.745 -0.666 1.00 51.04 H new ATOM 0 HD2 LYS A 60 26.608 25.254 -1.513 1.00 50.42 H new ATOM 0 HD3 LYS A 60 26.161 25.983 -3.043 1.00 50.42 H new ATOM 0 HE2 LYS A 60 28.080 27.157 -3.077 1.00 13.44 H new ATOM 0 HE3 LYS A 60 27.653 27.941 -1.568 1.00 13.44 H new ATOM 0 HZ1 LYS A 60 29.773 26.724 -1.473 1.00 31.44 H new ATOM 0 HZ2 LYS A 60 28.650 26.153 -0.335 1.00 31.44 H new ATOM 0 HZ3 LYS A 60 28.948 25.267 -1.753 1.00 31.44 H new ATOM 938 N GLY A 61 24.324 24.073 -2.624 1.00 50.13 N ATOM 939 CA GLY A 61 24.712 23.439 -3.871 1.00 14.21 C ATOM 940 C GLY A 61 23.519 23.092 -4.740 1.00 42.32 C ATOM 941 O GLY A 61 22.373 23.182 -4.299 1.00 42.04 O ATOM 0 H GLY A 61 24.714 23.643 -1.785 1.00 50.13 H new ATOM 0 HA2 GLY A 61 25.378 24.104 -4.421 1.00 14.21 H new ATOM 0 HA3 GLY A 61 25.276 22.532 -3.654 1.00 14.21 H new ATOM 945 N VAL A 62 23.788 22.696 -5.980 1.00 41.12 N ATOM 946 CA VAL A 62 22.728 22.335 -6.914 1.00 42.02 C ATOM 947 C VAL A 62 21.955 21.116 -6.424 1.00 1.15 C ATOM 948 O VAL A 62 22.531 20.052 -6.199 1.00 65.45 O ATOM 949 CB VAL A 62 23.292 22.041 -8.317 1.00 24.11 C ATOM 950 CG1 VAL A 62 24.367 20.966 -8.246 1.00 54.41 C ATOM 951 CG2 VAL A 62 22.176 21.629 -9.264 1.00 73.41 C ATOM 0 H VAL A 62 24.731 22.617 -6.361 1.00 41.12 H new ATOM 0 HA VAL A 62 22.054 23.190 -6.973 1.00 42.02 H new ATOM 0 HB VAL A 62 23.748 22.952 -8.705 1.00 24.11 H new ATOM 0 HG11 VAL A 62 24.754 20.772 -9.246 1.00 54.41 H new ATOM 0 HG12 VAL A 62 25.179 21.305 -7.603 1.00 54.41 H new ATOM 0 HG13 VAL A 62 23.939 20.050 -7.838 1.00 54.41 H new ATOM 0 HG21 VAL A 62 22.593 21.425 -10.250 1.00 73.41 H new ATOM 0 HG22 VAL A 62 21.689 20.731 -8.883 1.00 73.41 H new ATOM 0 HG23 VAL A 62 21.446 22.435 -9.338 1.00 73.41 H new ATOM 961 N ARG A 63 20.646 21.279 -6.259 1.00 4.20 N ATOM 962 CA ARG A 63 19.794 20.192 -5.794 1.00 55.10 C ATOM 963 C ARG A 63 19.272 19.370 -6.969 1.00 33.02 C ATOM 964 O ARG A 63 18.952 19.913 -8.026 1.00 41.43 O ATOM 965 CB ARG A 63 18.620 20.747 -4.985 1.00 31.34 C ATOM 966 CG ARG A 63 17.707 21.662 -5.784 1.00 43.30 C ATOM 967 CD ARG A 63 16.464 22.038 -4.993 1.00 51.23 C ATOM 968 NE ARG A 63 16.357 23.481 -4.795 1.00 10.13 N ATOM 969 CZ ARG A 63 16.039 24.334 -5.762 1.00 11.53 C ATOM 970 NH1 ARG A 63 15.797 23.892 -6.988 1.00 23.11 N ATOM 971 NH2 ARG A 63 15.961 25.634 -5.503 1.00 23.42 N ATOM 0 H ARG A 63 20.153 22.153 -6.441 1.00 4.20 H new ATOM 0 HA ARG A 63 20.392 19.542 -5.155 1.00 55.10 H new ATOM 0 HB2 ARG A 63 18.034 19.915 -4.594 1.00 31.34 H new ATOM 0 HB3 ARG A 63 19.008 21.295 -4.127 1.00 31.34 H new ATOM 0 HG2 ARG A 63 18.249 22.566 -6.063 1.00 43.30 H new ATOM 0 HG3 ARG A 63 17.414 21.167 -6.710 1.00 43.30 H new ATOM 0 HD2 ARG A 63 15.578 21.677 -5.516 1.00 51.23 H new ATOM 0 HD3 ARG A 63 16.487 21.540 -4.024 1.00 51.23 H new ATOM 0 HE ARG A 63 16.536 23.854 -3.863 1.00 10.13 H new ATOM 0 HH11 ARG A 63 15.855 22.894 -7.191 1.00 23.11 H new ATOM 0 HH12 ARG A 63 15.553 24.550 -7.728 1.00 23.11 H new ATOM 0 HH21 ARG A 63 16.145 25.978 -4.561 1.00 23.42 H new ATOM 0 HH22 ARG A 63 15.717 26.288 -6.246 1.00 23.42 H new ATOM 985 N ASP A 64 19.189 18.058 -6.776 1.00 12.34 N ATOM 986 CA ASP A 64 18.705 17.161 -7.819 1.00 25.15 C ATOM 987 C ASP A 64 17.288 16.687 -7.513 1.00 61.53 C ATOM 988 O ASP A 64 16.740 16.978 -6.450 1.00 23.32 O ATOM 989 CB ASP A 64 19.640 15.958 -7.960 1.00 12.24 C ATOM 990 CG ASP A 64 21.097 16.332 -7.771 1.00 31.23 C ATOM 991 OD1 ASP A 64 21.528 16.467 -6.607 1.00 23.32 O ATOM 992 OD2 ASP A 64 21.806 16.490 -8.787 1.00 13.21 O ATOM 0 H ASP A 64 19.451 17.592 -5.907 1.00 12.34 H new ATOM 0 HA ASP A 64 18.689 17.711 -8.760 1.00 25.15 H new ATOM 0 HB2 ASP A 64 19.365 15.200 -7.227 1.00 12.24 H new ATOM 0 HB3 ASP A 64 19.507 15.512 -8.946 1.00 12.24 H new ATOM 997 N PHE A 65 16.699 15.955 -8.453 1.00 50.25 N ATOM 998 CA PHE A 65 15.344 15.442 -8.286 1.00 43.11 C ATOM 999 C PHE A 65 15.173 14.112 -9.014 1.00 55.24 C ATOM 1000 O PHE A 65 15.311 14.038 -10.236 1.00 3.25 O ATOM 1001 CB PHE A 65 14.324 16.457 -8.806 1.00 70.33 C ATOM 1002 CG PHE A 65 14.677 17.026 -10.151 1.00 35.12 C ATOM 1003 CD1 PHE A 65 15.526 18.115 -10.255 1.00 43.43 C ATOM 1004 CD2 PHE A 65 14.159 16.471 -11.310 1.00 53.31 C ATOM 1005 CE1 PHE A 65 15.852 18.641 -11.491 1.00 54.43 C ATOM 1006 CE2 PHE A 65 14.481 16.993 -12.549 1.00 32.11 C ATOM 1007 CZ PHE A 65 15.329 18.079 -12.640 1.00 23.25 C ATOM 0 H PHE A 65 17.139 15.704 -9.338 1.00 50.25 H new ATOM 0 HA PHE A 65 15.172 15.278 -7.222 1.00 43.11 H new ATOM 0 HB2 PHE A 65 13.346 15.979 -8.868 1.00 70.33 H new ATOM 0 HB3 PHE A 65 14.235 17.272 -8.087 1.00 70.33 H new ATOM 0 HD1 PHE A 65 15.938 18.558 -9.360 1.00 43.43 H new ATOM 0 HD2 PHE A 65 13.496 15.621 -11.245 1.00 53.31 H new ATOM 0 HE1 PHE A 65 16.515 19.491 -11.559 1.00 54.43 H new ATOM 0 HE2 PHE A 65 14.070 16.552 -13.445 1.00 32.11 H new ATOM 0 HZ PHE A 65 15.583 18.488 -13.607 1.00 23.25 H new ATOM 1017 N TYR A 66 14.870 13.064 -8.256 1.00 45.31 N ATOM 1018 CA TYR A 66 14.683 11.736 -8.828 1.00 14.14 C ATOM 1019 C TYR A 66 13.229 11.290 -8.703 1.00 20.00 C ATOM 1020 O TYR A 66 12.470 11.822 -7.892 1.00 24.03 O ATOM 1021 CB TYR A 66 15.599 10.726 -8.135 1.00 71.22 C ATOM 1022 CG TYR A 66 16.696 10.192 -9.028 1.00 71.24 C ATOM 1023 CD1 TYR A 66 16.404 9.660 -10.278 1.00 43.45 C ATOM 1024 CD2 TYR A 66 18.024 10.220 -8.622 1.00 65.22 C ATOM 1025 CE1 TYR A 66 17.403 9.171 -11.097 1.00 63.22 C ATOM 1026 CE2 TYR A 66 19.030 9.734 -9.435 1.00 63.30 C ATOM 1027 CZ TYR A 66 18.715 9.210 -10.671 1.00 74.23 C ATOM 1028 OH TYR A 66 19.713 8.724 -11.485 1.00 11.44 O ATOM 0 H TYR A 66 14.749 13.108 -7.244 1.00 45.31 H new ATOM 0 HA TYR A 66 14.941 11.784 -9.886 1.00 14.14 H new ATOM 0 HB2 TYR A 66 16.050 11.197 -7.261 1.00 71.22 H new ATOM 0 HB3 TYR A 66 14.998 9.892 -7.773 1.00 71.22 H new ATOM 0 HD1 TYR A 66 15.378 9.628 -10.615 1.00 43.45 H new ATOM 0 HD2 TYR A 66 18.275 10.629 -7.654 1.00 65.22 H new ATOM 0 HE1 TYR A 66 17.159 8.760 -12.066 1.00 63.22 H new ATOM 0 HE2 TYR A 66 20.058 9.764 -9.104 1.00 63.30 H new ATOM 0 HH TYR A 66 20.579 8.826 -11.038 1.00 11.44 H new ATOM 1038 N THR A 67 12.847 10.308 -9.513 1.00 73.33 N ATOM 1039 CA THR A 67 11.485 9.789 -9.496 1.00 31.23 C ATOM 1040 C THR A 67 11.433 8.363 -10.033 1.00 52.31 C ATOM 1041 O THR A 67 10.394 7.908 -10.512 1.00 63.11 O ATOM 1042 CB THR A 67 10.536 10.673 -10.326 1.00 51.41 C ATOM 1043 OG1 THR A 67 11.196 11.117 -11.517 1.00 1.02 O ATOM 1044 CG2 THR A 67 10.073 11.877 -9.519 1.00 33.33 C ATOM 0 H THR A 67 13.462 9.856 -10.189 1.00 73.33 H new ATOM 0 HA THR A 67 11.158 9.795 -8.456 1.00 31.23 H new ATOM 0 HB THR A 67 9.663 10.078 -10.595 1.00 51.41 H new ATOM 0 HG1 THR A 67 10.585 11.677 -12.040 1.00 1.02 H new ATOM 0 HG21 THR A 67 9.404 12.486 -10.126 1.00 33.33 H new ATOM 0 HG22 THR A 67 9.546 11.537 -8.628 1.00 33.33 H new ATOM 0 HG23 THR A 67 10.938 12.472 -9.224 1.00 33.33 H new ATOM 1052 N SER A 68 12.559 7.663 -9.950 1.00 23.21 N ATOM 1053 CA SER A 68 12.642 6.289 -10.431 1.00 64.21 C ATOM 1054 C SER A 68 13.801 5.550 -9.768 1.00 32.03 C ATOM 1055 O SER A 68 14.720 6.169 -9.231 1.00 62.44 O ATOM 1056 CB SER A 68 12.813 6.268 -11.951 1.00 61.13 C ATOM 1057 OG SER A 68 14.163 6.496 -12.316 1.00 43.30 O ATOM 0 H SER A 68 13.427 8.024 -9.554 1.00 23.21 H new ATOM 0 HA SER A 68 11.713 5.782 -10.169 1.00 64.21 H new ATOM 0 HB2 SER A 68 12.485 5.306 -12.344 1.00 61.13 H new ATOM 0 HB3 SER A 68 12.177 7.030 -12.402 1.00 61.13 H new ATOM 0 HG SER A 68 14.246 6.476 -13.292 1.00 43.30 H new ATOM 1063 N ASP A 69 13.749 4.223 -9.809 1.00 14.25 N ATOM 1064 CA ASP A 69 14.793 3.398 -9.213 1.00 2.33 C ATOM 1065 C ASP A 69 16.176 3.880 -9.640 1.00 1.32 C ATOM 1066 O ASP A 69 16.560 3.746 -10.801 1.00 72.33 O ATOM 1067 CB ASP A 69 14.605 1.933 -9.610 1.00 52.43 C ATOM 1068 CG ASP A 69 14.575 1.741 -11.114 1.00 21.22 C ATOM 1069 OD1 ASP A 69 13.550 2.089 -11.737 1.00 0.12 O ATOM 1070 OD2 ASP A 69 15.577 1.243 -11.668 1.00 21.45 O ATOM 0 H ASP A 69 12.995 3.696 -10.249 1.00 14.25 H new ATOM 0 HA ASP A 69 14.716 3.485 -8.129 1.00 2.33 H new ATOM 0 HB2 ASP A 69 15.414 1.338 -9.187 1.00 52.43 H new ATOM 0 HB3 ASP A 69 13.676 1.559 -9.180 1.00 52.43 H new ATOM 1075 N ALA A 70 16.919 4.443 -8.693 1.00 4.41 N ATOM 1076 CA ALA A 70 18.260 4.945 -8.971 1.00 34.32 C ATOM 1077 C ALA A 70 19.324 3.988 -8.443 1.00 53.34 C ATOM 1078 O ALA A 70 19.453 3.794 -7.235 1.00 71.22 O ATOM 1079 CB ALA A 70 18.442 6.328 -8.363 1.00 63.44 C ATOM 0 H ALA A 70 16.616 4.563 -7.727 1.00 4.41 H new ATOM 0 HA ALA A 70 18.378 5.017 -10.052 1.00 34.32 H new ATOM 0 HB1 ALA A 70 19.447 6.691 -8.578 1.00 63.44 H new ATOM 0 HB2 ALA A 70 17.710 7.013 -8.791 1.00 63.44 H new ATOM 0 HB3 ALA A 70 18.299 6.273 -7.284 1.00 63.44 H new ATOM 1085 N ALA A 71 20.083 3.393 -9.357 1.00 42.14 N ATOM 1086 CA ALA A 71 21.137 2.458 -8.984 1.00 31.14 C ATOM 1087 C ALA A 71 22.440 3.191 -8.684 1.00 64.54 C ATOM 1088 O ALA A 71 23.351 2.631 -8.075 1.00 63.34 O ATOM 1089 CB ALA A 71 21.347 1.432 -10.087 1.00 24.40 C ATOM 0 H ALA A 71 19.988 3.542 -10.362 1.00 42.14 H new ATOM 0 HA ALA A 71 20.825 1.940 -8.077 1.00 31.14 H new ATOM 0 HB1 ALA A 71 22.137 0.740 -9.795 1.00 24.40 H new ATOM 0 HB2 ALA A 71 20.422 0.879 -10.250 1.00 24.40 H new ATOM 0 HB3 ALA A 71 21.633 1.941 -11.008 1.00 24.40 H new ATOM 1095 N GLU A 72 22.522 4.445 -9.117 1.00 72.13 N ATOM 1096 CA GLU A 72 23.716 5.253 -8.896 1.00 74.51 C ATOM 1097 C GLU A 72 23.348 6.625 -8.339 1.00 43.15 C ATOM 1098 O GLU A 72 22.447 7.293 -8.848 1.00 44.43 O ATOM 1099 CB GLU A 72 24.499 5.412 -10.201 1.00 3.14 C ATOM 1100 CG GLU A 72 26.006 5.449 -10.005 1.00 54.30 C ATOM 1101 CD GLU A 72 26.611 6.785 -10.390 1.00 10.44 C ATOM 1102 OE1 GLU A 72 26.598 7.706 -9.546 1.00 42.52 O ATOM 1103 OE2 GLU A 72 27.097 6.910 -11.533 1.00 11.10 O ATOM 0 H GLU A 72 21.776 4.923 -9.623 1.00 72.13 H new ATOM 0 HA GLU A 72 24.342 4.740 -8.166 1.00 74.51 H new ATOM 0 HB2 GLU A 72 24.248 4.588 -10.869 1.00 3.14 H new ATOM 0 HB3 GLU A 72 24.183 6.330 -10.695 1.00 3.14 H new ATOM 0 HG2 GLU A 72 26.238 5.236 -8.962 1.00 54.30 H new ATOM 0 HG3 GLU A 72 26.466 4.661 -10.601 1.00 54.30 H new ATOM 1110 N LEU A 73 24.052 7.039 -7.291 1.00 53.24 N ATOM 1111 CA LEU A 73 23.801 8.332 -6.664 1.00 15.01 C ATOM 1112 C LEU A 73 23.771 9.446 -7.705 1.00 53.23 C ATOM 1113 O LEU A 73 24.305 9.297 -8.804 1.00 75.43 O ATOM 1114 CB LEU A 73 24.873 8.628 -5.614 1.00 13.31 C ATOM 1115 CG LEU A 73 24.562 8.168 -4.189 1.00 40.51 C ATOM 1116 CD1 LEU A 73 25.701 8.533 -3.250 1.00 42.40 C ATOM 1117 CD2 LEU A 73 23.254 8.777 -3.705 1.00 51.35 C ATOM 0 H LEU A 73 24.801 6.498 -6.858 1.00 53.24 H new ATOM 0 HA LEU A 73 22.827 8.289 -6.178 1.00 15.01 H new ATOM 0 HB2 LEU A 73 25.804 8.158 -5.931 1.00 13.31 H new ATOM 0 HB3 LEU A 73 25.049 9.704 -5.597 1.00 13.31 H new ATOM 0 HG LEU A 73 24.455 7.083 -4.193 1.00 40.51 H new ATOM 0 HD11 LEU A 73 25.462 8.198 -2.241 1.00 42.40 H new ATOM 0 HD12 LEU A 73 26.618 8.049 -3.585 1.00 42.40 H new ATOM 0 HD13 LEU A 73 25.840 9.614 -3.250 1.00 42.40 H new ATOM 0 HD21 LEU A 73 23.049 8.439 -2.689 1.00 51.35 H new ATOM 0 HD22 LEU A 73 23.333 9.864 -3.716 1.00 51.35 H new ATOM 0 HD23 LEU A 73 22.442 8.465 -4.362 1.00 51.35 H new ATOM 1129 N SER A 74 23.145 10.564 -7.351 1.00 30.02 N ATOM 1130 CA SER A 74 23.044 11.703 -8.255 1.00 43.42 C ATOM 1131 C SER A 74 24.406 12.046 -8.851 1.00 63.23 C ATOM 1132 O SER A 74 24.678 11.752 -10.015 1.00 63.44 O ATOM 1133 CB SER A 74 22.478 12.918 -7.518 1.00 14.21 C ATOM 1134 OG SER A 74 21.062 12.877 -7.481 1.00 14.34 O ATOM 0 H SER A 74 22.700 10.705 -6.444 1.00 30.02 H new ATOM 0 HA SER A 74 22.369 11.432 -9.067 1.00 43.42 H new ATOM 0 HB2 SER A 74 22.871 12.947 -6.502 1.00 14.21 H new ATOM 0 HB3 SER A 74 22.806 13.833 -8.012 1.00 14.21 H new ATOM 0 HG SER A 74 20.699 13.467 -8.174 1.00 14.34 H new ATOM 1140 N ARG A 75 25.258 12.670 -8.044 1.00 64.43 N ATOM 1141 CA ARG A 75 26.592 13.054 -8.491 1.00 71.21 C ATOM 1142 C ARG A 75 27.665 12.395 -7.629 1.00 71.12 C ATOM 1143 O ARG A 75 27.377 11.487 -6.849 1.00 5.33 O ATOM 1144 CB ARG A 75 26.749 14.575 -8.446 1.00 64.23 C ATOM 1145 CG ARG A 75 27.247 15.174 -9.751 1.00 43.33 C ATOM 1146 CD ARG A 75 26.882 16.646 -9.863 1.00 40.24 C ATOM 1147 NE ARG A 75 27.744 17.354 -10.806 1.00 24.11 N ATOM 1148 CZ ARG A 75 28.958 17.799 -10.500 1.00 60.10 C ATOM 1149 NH1 ARG A 75 29.450 17.610 -9.283 1.00 51.04 N ATOM 1150 NH2 ARG A 75 29.683 18.434 -11.412 1.00 55.14 N ATOM 0 H ARG A 75 25.048 12.920 -7.078 1.00 64.43 H new ATOM 0 HA ARG A 75 26.716 12.713 -9.519 1.00 71.21 H new ATOM 0 HB2 ARG A 75 25.788 15.024 -8.193 1.00 64.23 H new ATOM 0 HB3 ARG A 75 27.443 14.837 -7.647 1.00 64.23 H new ATOM 0 HG2 ARG A 75 28.329 15.060 -9.815 1.00 43.33 H new ATOM 0 HG3 ARG A 75 26.819 14.627 -10.591 1.00 43.33 H new ATOM 0 HD2 ARG A 75 25.844 16.739 -10.181 1.00 40.24 H new ATOM 0 HD3 ARG A 75 26.957 17.114 -8.881 1.00 40.24 H new ATOM 0 HE ARG A 75 27.395 17.516 -11.751 1.00 24.11 H new ATOM 0 HH11 ARG A 75 28.896 17.122 -8.579 1.00 51.04 H new ATOM 0 HH12 ARG A 75 30.382 17.953 -9.051 1.00 51.04 H new ATOM 0 HH21 ARG A 75 29.309 18.581 -12.349 1.00 55.14 H new ATOM 0 HH22 ARG A 75 30.615 18.775 -11.176 1.00 55.14 H new ATOM 1164 N ASP A 76 28.901 12.858 -7.777 1.00 23.32 N ATOM 1165 CA ASP A 76 30.018 12.314 -7.012 1.00 15.12 C ATOM 1166 C ASP A 76 29.705 12.316 -5.519 1.00 31.33 C ATOM 1167 O ASP A 76 28.849 13.068 -5.055 1.00 31.53 O ATOM 1168 CB ASP A 76 31.289 13.121 -7.280 1.00 53.32 C ATOM 1169 CG ASP A 76 32.405 12.270 -7.852 1.00 60.04 C ATOM 1170 OD1 ASP A 76 32.484 12.152 -9.093 1.00 22.11 O ATOM 1171 OD2 ASP A 76 33.199 11.721 -7.060 1.00 0.13 O ATOM 0 H ASP A 76 29.155 13.608 -8.419 1.00 23.32 H new ATOM 0 HA ASP A 76 30.177 11.284 -7.331 1.00 15.12 H new ATOM 0 HB2 ASP A 76 31.062 13.931 -7.973 1.00 53.32 H new ATOM 0 HB3 ASP A 76 31.626 13.581 -6.351 1.00 53.32 H new ATOM 1176 N ASN A 77 30.404 11.467 -4.772 1.00 4.41 N ATOM 1177 CA ASN A 77 30.200 11.370 -3.331 1.00 63.22 C ATOM 1178 C ASN A 77 30.159 12.755 -2.693 1.00 33.24 C ATOM 1179 O ASN A 77 31.191 13.406 -2.531 1.00 13.23 O ATOM 1180 CB ASN A 77 31.312 10.535 -2.693 1.00 22.21 C ATOM 1181 CG ASN A 77 31.425 9.154 -3.310 1.00 10.01 C ATOM 1182 OD1 ASN A 77 30.671 8.244 -2.965 1.00 14.31 O ATOM 1183 ND2 ASN A 77 32.371 8.992 -4.228 1.00 31.23 N ATOM 0 H ASN A 77 31.116 10.837 -5.141 1.00 4.41 H new ATOM 0 HA ASN A 77 29.242 10.881 -3.157 1.00 63.22 H new ATOM 0 HB2 ASN A 77 32.263 11.057 -2.802 1.00 22.21 H new ATOM 0 HB3 ASN A 77 31.122 10.438 -1.624 1.00 22.21 H new ATOM 0 HD21 ASN A 77 32.495 8.085 -4.678 1.00 31.23 H new ATOM 0 HD22 ASN A 77 32.973 9.775 -4.483 1.00 31.23 H new ATOM 1190 N ASP A 78 28.960 13.198 -2.331 1.00 75.25 N ATOM 1191 CA ASP A 78 28.783 14.505 -1.709 1.00 32.42 C ATOM 1192 C ASP A 78 27.312 14.764 -1.398 1.00 20.12 C ATOM 1193 O ASP A 78 26.838 15.895 -1.492 1.00 54.44 O ATOM 1194 CB ASP A 78 29.326 15.606 -2.621 1.00 72.41 C ATOM 1195 CG ASP A 78 30.159 16.624 -1.867 1.00 71.53 C ATOM 1196 OD1 ASP A 78 29.594 17.337 -1.012 1.00 34.11 O ATOM 1197 OD2 ASP A 78 31.376 16.706 -2.132 1.00 42.31 O ATOM 0 H ASP A 78 28.096 12.671 -2.458 1.00 75.25 H new ATOM 0 HA ASP A 78 29.341 14.513 -0.772 1.00 32.42 H new ATOM 0 HB2 ASP A 78 29.932 15.156 -3.408 1.00 72.41 H new ATOM 0 HB3 ASP A 78 28.494 16.112 -3.110 1.00 72.41 H new ATOM 1202 N ALA A 79 26.596 13.708 -1.027 1.00 74.45 N ATOM 1203 CA ALA A 79 25.179 13.821 -0.702 1.00 4.12 C ATOM 1204 C ALA A 79 24.979 14.125 0.779 1.00 42.30 C ATOM 1205 O ALA A 79 24.992 13.222 1.615 1.00 1.12 O ATOM 1206 CB ALA A 79 24.446 12.544 -1.084 1.00 51.12 C ATOM 0 H ALA A 79 26.974 12.764 -0.944 1.00 74.45 H new ATOM 0 HA ALA A 79 24.765 14.650 -1.276 1.00 4.12 H new ATOM 0 HB1 ALA A 79 23.389 12.643 -0.836 1.00 51.12 H new ATOM 0 HB2 ALA A 79 24.552 12.370 -2.155 1.00 51.12 H new ATOM 0 HB3 ALA A 79 24.870 11.703 -0.536 1.00 51.12 H new ATOM 1212 N SER A 80 24.795 15.403 1.096 1.00 22.14 N ATOM 1213 CA SER A 80 24.597 15.826 2.478 1.00 51.55 C ATOM 1214 C SER A 80 23.182 15.502 2.947 1.00 0.43 C ATOM 1215 O SER A 80 22.971 14.567 3.719 1.00 4.24 O ATOM 1216 CB SER A 80 24.861 17.327 2.616 1.00 63.00 C ATOM 1217 OG SER A 80 26.252 17.599 2.649 1.00 73.12 O ATOM 0 H SER A 80 24.779 16.163 0.416 1.00 22.14 H new ATOM 0 HA SER A 80 25.303 15.281 3.105 1.00 51.55 H new ATOM 0 HB2 SER A 80 24.403 17.858 1.782 1.00 63.00 H new ATOM 0 HB3 SER A 80 24.393 17.700 3.527 1.00 63.00 H new ATOM 0 HG SER A 80 26.576 17.757 1.738 1.00 73.12 H new ATOM 1223 N SER A 81 22.215 16.283 2.475 1.00 22.13 N ATOM 1224 CA SER A 81 20.820 16.083 2.849 1.00 20.32 C ATOM 1225 C SER A 81 19.996 15.625 1.649 1.00 24.44 C ATOM 1226 O SER A 81 20.434 15.733 0.504 1.00 54.23 O ATOM 1227 CB SER A 81 20.233 17.374 3.422 1.00 41.20 C ATOM 1228 OG SER A 81 18.842 17.241 3.660 1.00 64.13 O ATOM 0 H SER A 81 22.372 17.060 1.833 1.00 22.13 H new ATOM 0 HA SER A 81 20.782 15.305 3.612 1.00 20.32 H new ATOM 0 HB2 SER A 81 20.742 17.627 4.352 1.00 41.20 H new ATOM 0 HB3 SER A 81 20.409 18.196 2.729 1.00 41.20 H new ATOM 0 HG SER A 81 18.677 16.434 4.191 1.00 64.13 H new ATOM 1234 N VAL A 82 18.801 15.112 1.922 1.00 73.45 N ATOM 1235 CA VAL A 82 17.914 14.637 0.866 1.00 40.43 C ATOM 1236 C VAL A 82 16.454 14.718 1.297 1.00 51.53 C ATOM 1237 O VAL A 82 16.136 14.576 2.477 1.00 12.35 O ATOM 1238 CB VAL A 82 18.241 13.186 0.468 1.00 33.43 C ATOM 1239 CG1 VAL A 82 19.513 13.133 -0.364 1.00 31.03 C ATOM 1240 CG2 VAL A 82 18.367 12.310 1.706 1.00 13.31 C ATOM 0 H VAL A 82 18.424 15.014 2.865 1.00 73.45 H new ATOM 0 HA VAL A 82 18.072 15.286 0.005 1.00 40.43 H new ATOM 0 HB VAL A 82 17.422 12.801 -0.140 1.00 33.43 H new ATOM 0 HG11 VAL A 82 19.727 12.099 -0.635 1.00 31.03 H new ATOM 0 HG12 VAL A 82 19.381 13.726 -1.269 1.00 31.03 H new ATOM 0 HG13 VAL A 82 20.344 13.536 0.215 1.00 31.03 H new ATOM 0 HG21 VAL A 82 18.598 11.288 1.406 1.00 13.31 H new ATOM 0 HG22 VAL A 82 19.166 12.691 2.342 1.00 13.31 H new ATOM 0 HG23 VAL A 82 17.427 12.322 2.258 1.00 13.31 H new ATOM 1250 N ARG A 83 15.570 14.947 0.331 1.00 14.54 N ATOM 1251 CA ARG A 83 14.142 15.048 0.611 1.00 43.20 C ATOM 1252 C ARG A 83 13.366 13.962 -0.128 1.00 14.14 C ATOM 1253 O ARG A 83 13.695 13.610 -1.260 1.00 71.23 O ATOM 1254 CB ARG A 83 13.618 16.428 0.209 1.00 63.05 C ATOM 1255 CG ARG A 83 12.107 16.559 0.310 1.00 64.14 C ATOM 1256 CD ARG A 83 11.606 17.799 -0.414 1.00 71.55 C ATOM 1257 NE ARG A 83 10.265 18.181 0.019 1.00 74.51 N ATOM 1258 CZ ARG A 83 9.559 19.153 -0.547 1.00 12.43 C ATOM 1259 NH1 ARG A 83 10.064 19.839 -1.563 1.00 71.42 N ATOM 1260 NH2 ARG A 83 8.345 19.442 -0.096 1.00 14.11 N ATOM 0 H ARG A 83 15.817 15.066 -0.651 1.00 14.54 H new ATOM 0 HA ARG A 83 13.996 14.910 1.682 1.00 43.20 H new ATOM 0 HB2 ARG A 83 14.083 17.183 0.843 1.00 63.05 H new ATOM 0 HB3 ARG A 83 13.925 16.640 -0.815 1.00 63.05 H new ATOM 0 HG2 ARG A 83 11.635 15.673 -0.114 1.00 64.14 H new ATOM 0 HG3 ARG A 83 11.814 16.605 1.359 1.00 64.14 H new ATOM 0 HD2 ARG A 83 12.294 18.626 -0.236 1.00 71.55 H new ATOM 0 HD3 ARG A 83 11.601 17.614 -1.488 1.00 71.55 H new ATOM 0 HE ARG A 83 9.847 17.673 0.799 1.00 74.51 H new ATOM 0 HH11 ARG A 83 10.997 19.621 -1.912 1.00 71.42 H new ATOM 0 HH12 ARG A 83 9.519 20.585 -1.996 1.00 71.42 H new ATOM 0 HH21 ARG A 83 7.953 18.917 0.686 1.00 14.11 H new ATOM 0 HH22 ARG A 83 7.804 20.189 -0.531 1.00 14.11 H new ATOM 1274 N VAL A 84 12.333 13.434 0.522 1.00 1.33 N ATOM 1275 CA VAL A 84 11.509 12.389 -0.072 1.00 70.24 C ATOM 1276 C VAL A 84 10.026 12.662 0.155 1.00 64.22 C ATOM 1277 O VAL A 84 9.619 13.065 1.244 1.00 53.31 O ATOM 1278 CB VAL A 84 11.859 11.003 0.503 1.00 54.42 C ATOM 1279 CG1 VAL A 84 13.358 10.757 0.429 1.00 11.42 C ATOM 1280 CG2 VAL A 84 11.359 10.880 1.934 1.00 24.14 C ATOM 0 H VAL A 84 12.047 13.714 1.460 1.00 1.33 H new ATOM 0 HA VAL A 84 11.716 12.393 -1.142 1.00 70.24 H new ATOM 0 HB VAL A 84 11.361 10.242 -0.098 1.00 54.42 H new ATOM 0 HG11 VAL A 84 13.586 9.773 0.840 1.00 11.42 H new ATOM 0 HG12 VAL A 84 13.683 10.801 -0.611 1.00 11.42 H new ATOM 0 HG13 VAL A 84 13.881 11.521 1.005 1.00 11.42 H new ATOM 0 HG21 VAL A 84 11.614 9.895 2.325 1.00 24.14 H new ATOM 0 HG22 VAL A 84 11.827 11.648 2.550 1.00 24.14 H new ATOM 0 HG23 VAL A 84 10.277 11.009 1.954 1.00 24.14 H new ATOM 1290 N SER A 85 9.224 12.439 -0.881 1.00 33.51 N ATOM 1291 CA SER A 85 7.785 12.664 -0.796 1.00 25.42 C ATOM 1292 C SER A 85 7.037 11.772 -1.782 1.00 32.35 C ATOM 1293 O SER A 85 7.550 11.439 -2.850 1.00 23.32 O ATOM 1294 CB SER A 85 7.461 14.133 -1.072 1.00 34.14 C ATOM 1295 OG SER A 85 8.262 14.990 -0.278 1.00 3.24 O ATOM 0 H SER A 85 9.546 12.103 -1.789 1.00 33.51 H new ATOM 0 HA SER A 85 7.461 12.411 0.214 1.00 25.42 H new ATOM 0 HB2 SER A 85 7.624 14.352 -2.127 1.00 34.14 H new ATOM 0 HB3 SER A 85 6.407 14.321 -0.866 1.00 34.14 H new ATOM 0 HG SER A 85 8.037 15.923 -0.474 1.00 3.24 H new ATOM 1301 N LYS A 86 5.819 11.388 -1.415 1.00 32.31 N ATOM 1302 CA LYS A 86 4.996 10.535 -2.265 1.00 43.52 C ATOM 1303 C LYS A 86 4.066 11.373 -3.137 1.00 34.51 C ATOM 1304 O LYS A 86 3.382 12.271 -2.647 1.00 4.04 O ATOM 1305 CB LYS A 86 4.177 9.566 -1.411 1.00 30.24 C ATOM 1306 CG LYS A 86 5.026 8.663 -0.532 1.00 73.12 C ATOM 1307 CD LYS A 86 4.911 9.044 0.934 1.00 5.02 C ATOM 1308 CE LYS A 86 3.552 8.668 1.504 1.00 62.33 C ATOM 1309 NZ LYS A 86 3.677 7.829 2.728 1.00 14.20 N ATOM 0 H LYS A 86 5.380 11.654 -0.534 1.00 32.31 H new ATOM 0 HA LYS A 86 5.659 9.964 -2.915 1.00 43.52 H new ATOM 0 HB2 LYS A 86 3.496 10.137 -0.780 1.00 30.24 H new ATOM 0 HB3 LYS A 86 3.562 8.948 -2.066 1.00 30.24 H new ATOM 0 HG2 LYS A 86 4.715 7.627 -0.665 1.00 73.12 H new ATOM 0 HG3 LYS A 86 6.068 8.725 -0.844 1.00 73.12 H new ATOM 0 HD2 LYS A 86 5.696 8.545 1.503 1.00 5.02 H new ATOM 0 HD3 LYS A 86 5.069 10.117 1.045 1.00 5.02 H new ATOM 0 HE2 LYS A 86 2.994 9.574 1.740 1.00 62.33 H new ATOM 0 HE3 LYS A 86 2.979 8.128 0.750 1.00 62.33 H new ATOM 0 HZ1 LYS A 86 2.732 7.523 3.037 1.00 14.20 H new ATOM 0 HZ2 LYS A 86 4.260 6.994 2.518 1.00 14.20 H new ATOM 0 HZ3 LYS A 86 4.126 8.383 3.484 1.00 14.20 H new ATOM 1323 N MET A 87 4.043 11.070 -4.431 1.00 3.31 N ATOM 1324 CA MET A 87 3.194 11.794 -5.370 1.00 33.13 C ATOM 1325 C MET A 87 1.945 10.986 -5.706 1.00 74.15 C ATOM 1326 O MET A 87 1.664 9.969 -5.074 1.00 32.34 O ATOM 1327 CB MET A 87 3.969 12.114 -6.649 1.00 54.14 C ATOM 1328 CG MET A 87 3.697 13.508 -7.192 1.00 33.22 C ATOM 1329 SD MET A 87 3.206 13.494 -8.927 1.00 3.41 S ATOM 1330 CE MET A 87 1.872 14.689 -8.911 1.00 34.22 C ATOM 0 H MET A 87 4.602 10.329 -4.853 1.00 3.31 H new ATOM 0 HA MET A 87 2.886 12.727 -4.899 1.00 33.13 H new ATOM 0 HB2 MET A 87 5.036 12.011 -6.453 1.00 54.14 H new ATOM 0 HB3 MET A 87 3.713 11.379 -7.412 1.00 54.14 H new ATOM 0 HG2 MET A 87 2.911 13.977 -6.600 1.00 33.22 H new ATOM 0 HG3 MET A 87 4.592 14.120 -7.077 1.00 33.22 H new ATOM 0 HE1 MET A 87 1.463 14.792 -9.916 1.00 34.22 H new ATOM 0 HE2 MET A 87 1.088 14.350 -8.234 1.00 34.22 H new ATOM 0 HE3 MET A 87 2.251 15.653 -8.573 1.00 34.22 H new ATOM 1340 N GLU A 88 1.199 11.446 -6.706 1.00 50.22 N ATOM 1341 CA GLU A 88 -0.021 10.765 -7.125 1.00 3.51 C ATOM 1342 C GLU A 88 -1.029 10.703 -5.981 1.00 23.51 C ATOM 1343 O GLU A 88 -1.949 9.884 -5.993 1.00 10.34 O ATOM 1344 CB GLU A 88 0.300 9.352 -7.615 1.00 22.12 C ATOM 1345 CG GLU A 88 0.067 9.156 -9.103 1.00 73.13 C ATOM 1346 CD GLU A 88 -0.757 7.920 -9.407 1.00 33.42 C ATOM 1347 OE1 GLU A 88 -0.323 6.810 -9.033 1.00 14.22 O ATOM 1348 OE2 GLU A 88 -1.837 8.062 -10.018 1.00 42.55 O ATOM 0 H GLU A 88 1.418 12.287 -7.241 1.00 50.22 H new ATOM 0 HA GLU A 88 -0.462 11.334 -7.944 1.00 3.51 H new ATOM 0 HB2 GLU A 88 1.341 9.125 -7.386 1.00 22.12 H new ATOM 0 HB3 GLU A 88 -0.311 8.638 -7.063 1.00 22.12 H new ATOM 0 HG2 GLU A 88 -0.439 10.033 -9.506 1.00 73.13 H new ATOM 0 HG3 GLU A 88 1.029 9.081 -9.611 1.00 73.13 H new ATOM 1355 N THR A 89 -0.848 11.573 -4.992 1.00 71.22 N ATOM 1356 CA THR A 89 -1.739 11.616 -3.840 1.00 32.03 C ATOM 1357 C THR A 89 -2.861 12.627 -4.050 1.00 22.25 C ATOM 1358 O THR A 89 -3.981 12.435 -3.575 1.00 1.33 O ATOM 1359 CB THR A 89 -0.975 11.975 -2.552 1.00 24.44 C ATOM 1360 OG1 THR A 89 -1.854 11.905 -1.424 1.00 75.30 O ATOM 1361 CG2 THR A 89 -0.376 13.370 -2.648 1.00 61.23 C ATOM 0 H THR A 89 -0.092 12.257 -4.966 1.00 71.22 H new ATOM 0 HA THR A 89 -2.167 10.619 -3.734 1.00 32.03 H new ATOM 0 HB THR A 89 -0.165 11.257 -2.426 1.00 24.44 H new ATOM 0 HG1 THR A 89 -1.360 12.133 -0.609 1.00 75.30 H new ATOM 0 HG21 THR A 89 0.159 13.601 -1.726 1.00 61.23 H new ATOM 0 HG22 THR A 89 0.316 13.412 -3.489 1.00 61.23 H new ATOM 0 HG23 THR A 89 -1.173 14.099 -2.797 1.00 61.23 H new ATOM 1369 N THR A 90 -2.554 13.705 -4.765 1.00 21.42 N ATOM 1370 CA THR A 90 -3.536 14.746 -5.037 1.00 51.33 C ATOM 1371 C THR A 90 -4.050 15.369 -3.744 1.00 72.13 C ATOM 1372 O THR A 90 -3.636 14.984 -2.652 1.00 12.03 O ATOM 1373 CB THR A 90 -4.731 14.196 -5.839 1.00 44.13 C ATOM 1374 OG1 THR A 90 -4.387 12.937 -6.429 1.00 1.15 O ATOM 1375 CG2 THR A 90 -5.148 15.174 -6.927 1.00 72.13 C ATOM 0 H THR A 90 -1.632 13.879 -5.166 1.00 21.42 H new ATOM 0 HA THR A 90 -3.031 15.509 -5.629 1.00 51.33 H new ATOM 0 HB THR A 90 -5.568 14.060 -5.154 1.00 44.13 H new ATOM 0 HG1 THR A 90 -5.152 12.593 -6.936 1.00 1.15 H new ATOM 0 HG21 THR A 90 -5.993 14.764 -7.480 1.00 72.13 H new ATOM 0 HG22 THR A 90 -5.437 16.122 -6.473 1.00 72.13 H new ATOM 0 HG23 THR A 90 -4.313 15.337 -7.609 1.00 72.13 H new ATOM 1383 N ASN A 91 -4.956 16.333 -3.876 1.00 64.14 N ATOM 1384 CA ASN A 91 -5.527 17.009 -2.717 1.00 43.02 C ATOM 1385 C ASN A 91 -6.861 17.660 -3.070 1.00 22.13 C ATOM 1386 O ASN A 91 -7.155 17.901 -4.240 1.00 45.13 O ATOM 1387 CB ASN A 91 -4.555 18.066 -2.187 1.00 73.42 C ATOM 1388 CG ASN A 91 -3.797 18.763 -3.300 1.00 4.35 C ATOM 1389 OD1 ASN A 91 -2.673 18.385 -3.632 1.00 13.01 O ATOM 1390 ND2 ASN A 91 -4.409 19.788 -3.881 1.00 10.44 N ATOM 0 H ASN A 91 -5.310 16.663 -4.774 1.00 64.14 H new ATOM 0 HA ASN A 91 -5.701 16.263 -1.941 1.00 43.02 H new ATOM 0 HB2 ASN A 91 -5.107 18.806 -1.608 1.00 73.42 H new ATOM 0 HB3 ASN A 91 -3.845 17.595 -1.507 1.00 73.42 H new ATOM 0 HD21 ASN A 91 -3.947 20.297 -4.635 1.00 10.44 H new ATOM 0 HD22 ASN A 91 -5.341 20.067 -3.573 1.00 10.44 H new TER 1397 ASN A 91