USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 420 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 26 SER OG : rot 180:sc= -1.13 USER MOD Set 1.2: A 28 LYS NZ :NH3+ 164:sc= 0.106 (180deg=0.0519) USER MOD Set 2.1: A 21 TYR OH : rot 153:sc= 0.238 USER MOD Set 2.2: A 41 SER OG : rot -33:sc= 0.16 USER MOD Single : A 1 LYS N :NH3+ 158:sc= -3.73! (180deg=-4.12!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 77:sc= 0.14 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0.031 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.482 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0112 X(o=-0.011,f=-0.31) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0629 X(o=-0.063,f=-0.49) USER MOD Single : A 42 ASN : amide:sc= -2.15 K(o=-2.2,f=-5.5!) USER MOD Single : A 43 ASN : amide:sc= -3.07 K(o=-3.1,f=-5.4!) USER MOD Single : A 46 THR OG1 : rot -98:sc= -0.417 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc=-0.000871 X(o=-0.00087,f=0.44) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.544 0.624 -0.296 1.00 22.54 N ATOM 2 CA LYS A 1 0.971 -0.559 -0.927 1.00 64.32 C ATOM 3 C LYS A 1 0.046 -0.169 -2.075 1.00 41.12 C ATOM 4 O LYS A 1 -0.377 0.982 -2.182 1.00 0.45 O ATOM 5 CB LYS A 1 0.202 -1.390 0.102 1.00 30.31 C ATOM 6 CG LYS A 1 -0.142 -2.789 -0.380 1.00 12.10 C ATOM 7 CD LYS A 1 -0.062 -3.803 0.749 1.00 75.13 C ATOM 8 CE LYS A 1 -0.446 -5.196 0.274 1.00 22.41 C ATOM 9 NZ LYS A 1 -1.746 -5.640 0.850 1.00 64.35 N ATOM 0 H1 LYS A 1 1.851 0.388 0.669 1.00 22.54 H new ATOM 0 H2 LYS A 1 2.362 0.951 -0.849 1.00 22.54 H new ATOM 0 H3 LYS A 1 0.829 1.378 -0.258 1.00 22.54 H new ATOM 0 HA LYS A 1 1.789 -1.157 -1.329 1.00 64.32 H new ATOM 0 HB2 LYS A 1 0.796 -1.464 1.013 1.00 30.31 H new ATOM 0 HB3 LYS A 1 -0.719 -0.868 0.363 1.00 30.31 H new ATOM 0 HG2 LYS A 1 -1.147 -2.792 -0.803 1.00 12.10 H new ATOM 0 HG3 LYS A 1 0.541 -3.078 -1.179 1.00 12.10 H new ATOM 0 HD2 LYS A 1 0.950 -3.821 1.152 1.00 75.13 H new ATOM 0 HD3 LYS A 1 -0.723 -3.499 1.560 1.00 75.13 H new ATOM 0 HE2 LYS A 1 -0.509 -5.204 -0.814 1.00 22.41 H new ATOM 0 HE3 LYS A 1 0.335 -5.903 0.553 1.00 22.41 H new ATOM 0 HZ1 LYS A 1 -1.972 -6.594 0.502 1.00 64.35 H new ATOM 0 HZ2 LYS A 1 -1.678 -5.657 1.888 1.00 64.35 H new ATOM 0 HZ3 LYS A 1 -2.496 -4.980 0.563 1.00 64.35 H new ATOM 23 N LYS A 2 -0.266 -1.135 -2.932 1.00 70.22 N ATOM 24 CA LYS A 2 -1.144 -0.894 -4.071 1.00 63.13 C ATOM 25 C LYS A 2 -0.511 0.094 -5.046 1.00 14.42 C ATOM 26 O LYS A 2 -1.178 0.609 -5.944 1.00 65.25 O ATOM 27 CB LYS A 2 -2.497 -0.362 -3.595 1.00 32.01 C ATOM 28 CG LYS A 2 -3.634 -0.634 -4.565 1.00 65.42 C ATOM 29 CD LYS A 2 -4.542 0.574 -4.713 1.00 54.30 C ATOM 30 CE LYS A 2 -5.159 0.641 -6.102 1.00 0.52 C ATOM 31 NZ LYS A 2 -6.244 -0.364 -6.276 1.00 43.23 N ATOM 0 H LYS A 2 0.076 -2.093 -2.859 1.00 70.22 H new ATOM 0 HA LYS A 2 -1.295 -1.841 -4.588 1.00 63.13 H new ATOM 0 HB2 LYS A 2 -2.737 -0.813 -2.632 1.00 32.01 H new ATOM 0 HB3 LYS A 2 -2.418 0.713 -3.433 1.00 32.01 H new ATOM 0 HG2 LYS A 2 -3.226 -0.905 -5.539 1.00 65.42 H new ATOM 0 HG3 LYS A 2 -4.216 -1.487 -4.215 1.00 65.42 H new ATOM 0 HD2 LYS A 2 -5.333 0.530 -3.964 1.00 54.30 H new ATOM 0 HD3 LYS A 2 -3.973 1.484 -4.522 1.00 54.30 H new ATOM 0 HE2 LYS A 2 -5.559 1.640 -6.274 1.00 0.52 H new ATOM 0 HE3 LYS A 2 -4.385 0.474 -6.851 1.00 0.52 H new ATOM 0 HZ1 LYS A 2 -6.639 -0.286 -7.235 1.00 43.23 H new ATOM 0 HZ2 LYS A 2 -5.858 -1.320 -6.137 1.00 43.23 H new ATOM 0 HZ3 LYS A 2 -6.994 -0.189 -5.578 1.00 43.23 H new ATOM 45 N LYS A 3 0.779 0.355 -4.863 1.00 54.22 N ATOM 46 CA LYS A 3 1.503 1.280 -5.727 1.00 74.24 C ATOM 47 C LYS A 3 2.266 0.526 -6.812 1.00 53.42 C ATOM 48 O LYS A 3 2.583 1.084 -7.863 1.00 61.23 O ATOM 49 CB LYS A 3 2.473 2.128 -4.902 1.00 52.11 C ATOM 50 CG LYS A 3 1.784 3.155 -4.020 1.00 40.11 C ATOM 51 CD LYS A 3 2.076 2.912 -2.549 1.00 31.02 C ATOM 52 CE LYS A 3 0.997 3.512 -1.660 1.00 44.30 C ATOM 53 NZ LYS A 3 1.536 4.591 -0.786 1.00 51.33 N ATOM 0 H LYS A 3 1.345 -0.061 -4.124 1.00 54.22 H new ATOM 0 HA LYS A 3 0.776 1.935 -6.207 1.00 74.24 H new ATOM 0 HB2 LYS A 3 3.076 1.470 -4.276 1.00 52.11 H new ATOM 0 HB3 LYS A 3 3.158 2.642 -5.577 1.00 52.11 H new ATOM 0 HG2 LYS A 3 2.116 4.155 -4.297 1.00 40.11 H new ATOM 0 HG3 LYS A 3 0.708 3.118 -4.189 1.00 40.11 H new ATOM 0 HD2 LYS A 3 2.148 1.840 -2.363 1.00 31.02 H new ATOM 0 HD3 LYS A 3 3.043 3.345 -2.292 1.00 31.02 H new ATOM 0 HE2 LYS A 3 0.196 3.914 -2.281 1.00 44.30 H new ATOM 0 HE3 LYS A 3 0.559 2.729 -1.042 1.00 44.30 H new ATOM 0 HZ1 LYS A 3 0.770 4.974 -0.196 1.00 51.33 H new ATOM 0 HZ2 LYS A 3 2.283 4.202 -0.175 1.00 51.33 H new ATOM 0 HZ3 LYS A 3 1.932 5.351 -1.376 1.00 51.33 H new ATOM 67 N CYS A 4 2.556 -0.744 -6.551 1.00 43.32 N ATOM 68 CA CYS A 4 3.281 -1.574 -7.505 1.00 60.51 C ATOM 69 C CYS A 4 2.399 -1.926 -8.700 1.00 23.52 C ATOM 70 O CYS A 4 2.892 -2.368 -9.738 1.00 14.23 O ATOM 71 CB CYS A 4 3.775 -2.854 -6.827 1.00 34.00 C ATOM 72 SG CYS A 4 4.749 -3.944 -7.914 1.00 53.44 S ATOM 0 H CYS A 4 2.300 -1.221 -5.686 1.00 43.32 H new ATOM 0 HA CYS A 4 4.139 -1.006 -7.864 1.00 60.51 H new ATOM 0 HB2 CYS A 4 4.382 -2.584 -5.963 1.00 34.00 H new ATOM 0 HB3 CYS A 4 2.915 -3.408 -6.451 1.00 34.00 H new ATOM 77 N GLN A 5 1.094 -1.727 -8.544 1.00 64.41 N ATOM 78 CA GLN A 5 0.144 -2.024 -9.610 1.00 24.23 C ATOM 79 C GLN A 5 -0.639 -0.776 -10.004 1.00 23.31 C ATOM 80 O GLN A 5 -1.731 -0.529 -9.492 1.00 54.31 O ATOM 81 CB GLN A 5 -0.819 -3.128 -9.170 1.00 12.21 C ATOM 82 CG GLN A 5 -1.157 -3.086 -7.688 1.00 43.23 C ATOM 83 CD GLN A 5 -2.202 -4.112 -7.299 1.00 22.55 C ATOM 84 OE1 GLN A 5 -3.356 -3.772 -7.036 1.00 42.05 O ATOM 85 NE2 GLN A 5 -1.802 -5.378 -7.258 1.00 75.33 N ATOM 0 H GLN A 5 0.671 -1.362 -7.691 1.00 64.41 H new ATOM 0 HA GLN A 5 0.706 -2.367 -10.479 1.00 24.23 H new ATOM 0 HB2 GLN A 5 -1.740 -3.046 -9.747 1.00 12.21 H new ATOM 0 HB3 GLN A 5 -0.380 -4.097 -9.407 1.00 12.21 H new ATOM 0 HG2 GLN A 5 -0.251 -3.258 -7.107 1.00 43.23 H new ATOM 0 HG3 GLN A 5 -1.517 -2.090 -7.429 1.00 43.23 H new ATOM 0 HE21 GLN A 5 -0.836 -5.615 -7.484 1.00 75.33 H new ATOM 0 HE22 GLN A 5 -2.461 -6.113 -7.001 1.00 75.33 H new ATOM 94 N LEU A 6 -0.074 0.007 -10.916 1.00 63.11 N ATOM 95 CA LEU A 6 -0.719 1.231 -11.379 1.00 70.54 C ATOM 96 C LEU A 6 -0.988 1.170 -12.880 1.00 4.14 C ATOM 97 O LEU A 6 -0.339 0.432 -13.622 1.00 50.50 O ATOM 98 CB LEU A 6 0.153 2.445 -11.054 1.00 74.23 C ATOM 99 CG LEU A 6 -0.041 3.058 -9.667 1.00 30.11 C ATOM 100 CD1 LEU A 6 -1.066 4.180 -9.718 1.00 12.04 C ATOM 101 CD2 LEU A 6 -0.464 1.992 -8.667 1.00 24.41 C ATOM 0 H LEU A 6 0.829 -0.184 -11.350 1.00 63.11 H new ATOM 0 HA LEU A 6 -1.673 1.328 -10.861 1.00 70.54 H new ATOM 0 HB2 LEU A 6 1.198 2.155 -11.158 1.00 74.23 H new ATOM 0 HB3 LEU A 6 -0.040 3.216 -11.800 1.00 74.23 H new ATOM 0 HG LEU A 6 0.910 3.477 -9.340 1.00 30.11 H new ATOM 0 HD11 LEU A 6 -1.191 4.604 -8.722 1.00 12.04 H new ATOM 0 HD12 LEU A 6 -0.723 4.956 -10.402 1.00 12.04 H new ATOM 0 HD13 LEU A 6 -2.020 3.785 -10.067 1.00 12.04 H new ATOM 0 HD21 LEU A 6 -0.597 2.447 -7.685 1.00 24.41 H new ATOM 0 HD22 LEU A 6 -1.403 1.543 -8.990 1.00 24.41 H new ATOM 0 HD23 LEU A 6 0.305 1.222 -8.609 1.00 24.41 H new ATOM 113 N PRO A 7 -1.965 1.965 -13.339 1.00 12.54 N ATOM 114 CA PRO A 7 -2.340 2.023 -14.755 1.00 31.44 C ATOM 115 C PRO A 7 -1.266 2.683 -15.612 1.00 72.04 C ATOM 116 O PRO A 7 -0.544 3.565 -15.149 1.00 2.31 O ATOM 117 CB PRO A 7 -3.616 2.868 -14.750 1.00 2.40 C ATOM 118 CG PRO A 7 -3.509 3.708 -13.524 1.00 50.42 C ATOM 119 CD PRO A 7 -2.780 2.871 -12.511 1.00 24.25 C ATOM 0 HA PRO A 7 -2.473 1.029 -15.183 1.00 31.44 H new ATOM 0 HB2 PRO A 7 -3.687 3.484 -15.647 1.00 2.40 H new ATOM 0 HB3 PRO A 7 -4.507 2.240 -14.723 1.00 2.40 H new ATOM 0 HG2 PRO A 7 -2.967 4.631 -13.730 1.00 50.42 H new ATOM 0 HG3 PRO A 7 -4.496 3.992 -13.158 1.00 50.42 H new ATOM 0 HD2 PRO A 7 -2.160 3.483 -11.856 1.00 24.25 H new ATOM 0 HD3 PRO A 7 -3.471 2.320 -11.873 1.00 24.25 H new ATOM 127 N SER A 8 -1.167 2.250 -16.865 1.00 51.43 N ATOM 128 CA SER A 8 -0.179 2.798 -17.787 1.00 64.21 C ATOM 129 C SER A 8 -0.460 4.269 -18.075 1.00 15.32 C ATOM 130 O SER A 8 -1.478 4.813 -17.645 1.00 41.42 O ATOM 131 CB SER A 8 -0.174 2.003 -19.094 1.00 62.31 C ATOM 132 OG SER A 8 -1.108 0.939 -19.047 1.00 74.42 O ATOM 0 H SER A 8 -1.759 1.522 -17.265 1.00 51.43 H new ATOM 0 HA SER A 8 0.802 2.719 -17.318 1.00 64.21 H new ATOM 0 HB2 SER A 8 -0.413 2.665 -19.927 1.00 62.31 H new ATOM 0 HB3 SER A 8 0.825 1.607 -19.278 1.00 62.31 H new ATOM 0 HG SER A 8 -2.013 1.292 -19.174 1.00 74.42 H new ATOM 138 N ASP A 9 0.448 4.907 -18.804 1.00 40.43 N ATOM 139 CA ASP A 9 0.298 6.316 -19.151 1.00 62.13 C ATOM 140 C ASP A 9 1.459 6.788 -20.021 1.00 61.43 C ATOM 141 O ASP A 9 2.624 6.660 -19.643 1.00 52.13 O ATOM 142 CB ASP A 9 0.214 7.169 -17.885 1.00 3.03 C ATOM 143 CG ASP A 9 -0.895 8.200 -17.953 1.00 73.24 C ATOM 144 OD1 ASP A 9 -0.870 9.038 -18.879 1.00 12.43 O ATOM 145 OD2 ASP A 9 -1.789 8.167 -17.082 1.00 54.44 O ATOM 0 H ASP A 9 1.296 4.471 -19.167 1.00 40.43 H new ATOM 0 HA ASP A 9 -0.626 6.429 -19.717 1.00 62.13 H new ATOM 0 HB2 ASP A 9 0.051 6.521 -17.024 1.00 3.03 H new ATOM 0 HB3 ASP A 9 1.167 7.675 -17.727 1.00 3.03 H new ATOM 150 N VAL A 10 1.134 7.332 -21.189 1.00 55.43 N ATOM 151 CA VAL A 10 2.149 7.823 -22.113 1.00 52.34 C ATOM 152 C VAL A 10 2.034 9.331 -22.305 1.00 41.34 C ATOM 153 O VAL A 10 3.039 10.029 -22.435 1.00 12.44 O ATOM 154 CB VAL A 10 2.040 7.132 -23.486 1.00 13.43 C ATOM 155 CG1 VAL A 10 0.733 7.505 -24.169 1.00 33.11 C ATOM 156 CG2 VAL A 10 3.230 7.495 -24.360 1.00 43.04 C ATOM 0 H VAL A 10 0.175 7.444 -21.518 1.00 55.43 H new ATOM 0 HA VAL A 10 3.118 7.588 -21.672 1.00 52.34 H new ATOM 0 HB VAL A 10 2.047 6.053 -23.332 1.00 13.43 H new ATOM 0 HG11 VAL A 10 0.674 7.008 -25.137 1.00 33.11 H new ATOM 0 HG12 VAL A 10 -0.105 7.190 -23.547 1.00 33.11 H new ATOM 0 HG13 VAL A 10 0.693 8.585 -24.313 1.00 33.11 H new ATOM 0 HG21 VAL A 10 3.137 6.998 -25.326 1.00 43.04 H new ATOM 0 HG22 VAL A 10 3.257 8.575 -24.508 1.00 43.04 H new ATOM 0 HG23 VAL A 10 4.151 7.173 -23.873 1.00 43.04 H new ATOM 166 N GLY A 11 0.801 9.828 -22.322 1.00 51.34 N ATOM 167 CA GLY A 11 0.577 11.251 -22.499 1.00 10.33 C ATOM 168 C GLY A 11 1.339 11.816 -23.681 1.00 4.23 C ATOM 169 O GLY A 11 1.858 11.068 -24.510 1.00 1.22 O ATOM 0 H GLY A 11 -0.047 9.271 -22.216 1.00 51.34 H new ATOM 0 HA2 GLY A 11 -0.489 11.433 -22.637 1.00 10.33 H new ATOM 0 HA3 GLY A 11 0.876 11.778 -21.593 1.00 10.33 H new ATOM 173 N LYS A 12 1.407 13.141 -23.761 1.00 22.33 N ATOM 174 CA LYS A 12 2.111 13.807 -24.850 1.00 21.01 C ATOM 175 C LYS A 12 3.268 14.647 -24.317 1.00 74.12 C ATOM 176 O LYS A 12 3.319 14.969 -23.131 1.00 32.41 O ATOM 177 CB LYS A 12 1.146 14.692 -25.642 1.00 44.30 C ATOM 178 CG LYS A 12 0.029 15.281 -24.798 1.00 71.23 C ATOM 179 CD LYS A 12 -1.201 14.389 -24.802 1.00 55.11 C ATOM 180 CE LYS A 12 -2.280 14.924 -23.873 1.00 32.45 C ATOM 181 NZ LYS A 12 -2.962 13.830 -23.127 1.00 72.53 N ATOM 0 H LYS A 12 0.983 13.775 -23.084 1.00 22.33 H new ATOM 0 HA LYS A 12 2.516 13.040 -25.510 1.00 21.01 H new ATOM 0 HB2 LYS A 12 1.707 15.504 -26.105 1.00 44.30 H new ATOM 0 HB3 LYS A 12 0.709 14.106 -26.450 1.00 44.30 H new ATOM 0 HG2 LYS A 12 0.378 15.417 -23.774 1.00 71.23 H new ATOM 0 HG3 LYS A 12 -0.235 16.268 -25.179 1.00 71.23 H new ATOM 0 HD2 LYS A 12 -1.595 14.316 -25.815 1.00 55.11 H new ATOM 0 HD3 LYS A 12 -0.922 13.381 -24.495 1.00 55.11 H new ATOM 0 HE2 LYS A 12 -1.836 15.624 -23.165 1.00 32.45 H new ATOM 0 HE3 LYS A 12 -3.015 15.481 -24.453 1.00 32.45 H new ATOM 0 HZ1 LYS A 12 -3.690 14.235 -22.505 1.00 72.53 H new ATOM 0 HZ2 LYS A 12 -3.408 13.176 -23.801 1.00 72.53 H new ATOM 0 HZ3 LYS A 12 -2.265 13.314 -22.553 1.00 72.53 H new ATOM 195 N GLY A 13 4.194 15.000 -25.203 1.00 40.21 N ATOM 196 CA GLY A 13 5.336 15.801 -24.803 1.00 22.13 C ATOM 197 C GLY A 13 6.539 15.584 -25.699 1.00 62.10 C ATOM 198 O GLY A 13 6.502 14.759 -26.613 1.00 11.53 O ATOM 0 H GLY A 13 4.174 14.746 -26.191 1.00 40.21 H new ATOM 0 HA2 GLY A 13 5.060 16.855 -24.820 1.00 22.13 H new ATOM 0 HA3 GLY A 13 5.604 15.558 -23.775 1.00 22.13 H new ATOM 202 N LYS A 14 7.610 16.327 -25.440 1.00 30.44 N ATOM 203 CA LYS A 14 8.830 16.213 -26.229 1.00 63.14 C ATOM 204 C LYS A 14 9.942 15.553 -25.421 1.00 24.24 C ATOM 205 O LYS A 14 11.118 15.647 -25.772 1.00 71.11 O ATOM 206 CB LYS A 14 9.284 17.594 -26.707 1.00 53.22 C ATOM 207 CG LYS A 14 8.298 18.267 -27.646 1.00 74.14 C ATOM 208 CD LYS A 14 7.207 18.996 -26.880 1.00 53.44 C ATOM 209 CE LYS A 14 6.414 19.925 -27.788 1.00 21.23 C ATOM 210 NZ LYS A 14 5.065 19.378 -28.099 1.00 35.53 N ATOM 0 H LYS A 14 7.657 17.015 -24.689 1.00 30.44 H new ATOM 0 HA LYS A 14 8.614 15.588 -27.095 1.00 63.14 H new ATOM 0 HB2 LYS A 14 9.443 18.235 -25.840 1.00 53.22 H new ATOM 0 HB3 LYS A 14 10.245 17.497 -27.212 1.00 53.22 H new ATOM 0 HG2 LYS A 14 8.828 18.972 -28.286 1.00 74.14 H new ATOM 0 HG3 LYS A 14 7.848 17.519 -28.299 1.00 74.14 H new ATOM 0 HD2 LYS A 14 6.534 18.270 -26.423 1.00 53.44 H new ATOM 0 HD3 LYS A 14 7.653 19.572 -26.069 1.00 53.44 H new ATOM 0 HE2 LYS A 14 6.310 20.899 -27.309 1.00 21.23 H new ATOM 0 HE3 LYS A 14 6.964 20.083 -28.715 1.00 21.23 H new ATOM 0 HZ1 LYS A 14 4.557 20.040 -28.720 1.00 35.53 H new ATOM 0 HZ2 LYS A 14 5.165 18.461 -28.579 1.00 35.53 H new ATOM 0 HZ3 LYS A 14 4.530 19.251 -27.216 1.00 35.53 H new ATOM 224 N ALA A 15 9.563 14.884 -24.337 1.00 35.12 N ATOM 225 CA ALA A 15 10.528 14.205 -23.481 1.00 15.43 C ATOM 226 C ALA A 15 10.554 12.707 -23.763 1.00 40.14 C ATOM 227 O ALA A 15 10.181 11.899 -22.914 1.00 32.35 O ATOM 228 CB ALA A 15 10.206 14.462 -22.016 1.00 11.41 C ATOM 0 H ALA A 15 8.594 14.798 -24.031 1.00 35.12 H new ATOM 0 HA ALA A 15 11.517 14.607 -23.701 1.00 15.43 H new ATOM 0 HB1 ALA A 15 10.934 13.949 -21.388 1.00 11.41 H new ATOM 0 HB2 ALA A 15 10.246 15.533 -21.817 1.00 11.41 H new ATOM 0 HB3 ALA A 15 9.207 14.088 -21.792 1.00 11.41 H new ATOM 234 N SER A 16 10.997 12.344 -24.963 1.00 31.32 N ATOM 235 CA SER A 16 11.068 10.942 -25.359 1.00 54.11 C ATOM 236 C SER A 16 11.952 10.151 -24.401 1.00 22.54 C ATOM 237 O SER A 16 13.178 10.162 -24.516 1.00 11.33 O ATOM 238 CB SER A 16 11.606 10.820 -26.786 1.00 54.21 C ATOM 239 OG SER A 16 12.627 11.772 -27.029 1.00 23.41 O ATOM 0 H SER A 16 11.312 13.001 -25.677 1.00 31.32 H new ATOM 0 HA SER A 16 10.060 10.528 -25.321 1.00 54.11 H new ATOM 0 HB2 SER A 16 11.996 9.815 -26.946 1.00 54.21 H new ATOM 0 HB3 SER A 16 10.793 10.964 -27.498 1.00 54.21 H new ATOM 0 HG SER A 16 12.955 11.672 -27.947 1.00 23.41 H new ATOM 245 N PHE A 17 11.321 9.463 -23.454 1.00 43.23 N ATOM 246 CA PHE A 17 12.050 8.666 -22.474 1.00 54.12 C ATOM 247 C PHE A 17 11.250 7.429 -22.077 1.00 31.20 C ATOM 248 O PHE A 17 10.019 7.449 -22.062 1.00 74.33 O ATOM 249 CB PHE A 17 12.362 9.505 -21.233 1.00 51.35 C ATOM 250 CG PHE A 17 13.310 8.836 -20.280 1.00 31.10 C ATOM 251 CD1 PHE A 17 14.499 8.289 -20.734 1.00 41.11 C ATOM 252 CD2 PHE A 17 13.011 8.753 -18.929 1.00 63.04 C ATOM 253 CE1 PHE A 17 15.374 7.673 -19.859 1.00 71.43 C ATOM 254 CE2 PHE A 17 13.882 8.138 -18.050 1.00 3.21 C ATOM 255 CZ PHE A 17 15.064 7.596 -18.516 1.00 4.35 C ATOM 0 H PHE A 17 10.307 9.442 -23.345 1.00 43.23 H new ATOM 0 HA PHE A 17 12.986 8.342 -22.929 1.00 54.12 H new ATOM 0 HB2 PHE A 17 12.787 10.458 -21.546 1.00 51.35 H new ATOM 0 HB3 PHE A 17 11.431 9.727 -20.711 1.00 51.35 H new ATOM 0 HD1 PHE A 17 14.745 8.345 -21.784 1.00 41.11 H new ATOM 0 HD2 PHE A 17 12.087 9.173 -18.559 1.00 63.04 H new ATOM 0 HE1 PHE A 17 16.299 7.253 -20.226 1.00 71.43 H new ATOM 0 HE2 PHE A 17 13.639 8.081 -16.999 1.00 3.21 H new ATOM 0 HZ PHE A 17 15.745 7.113 -17.831 1.00 4.35 H new ATOM 265 N THR A 18 11.959 6.351 -21.756 1.00 10.15 N ATOM 266 CA THR A 18 11.317 5.104 -21.360 1.00 21.11 C ATOM 267 C THR A 18 11.494 4.844 -19.868 1.00 75.33 C ATOM 268 O THR A 18 12.587 5.002 -19.326 1.00 44.12 O ATOM 269 CB THR A 18 11.881 3.907 -22.149 1.00 22.05 C ATOM 270 OG1 THR A 18 11.191 2.708 -21.779 1.00 24.22 O ATOM 271 CG2 THR A 18 13.371 3.742 -21.889 1.00 30.41 C ATOM 0 H THR A 18 12.978 6.317 -21.763 1.00 10.15 H new ATOM 0 HA THR A 18 10.255 5.210 -21.584 1.00 21.11 H new ATOM 0 HB THR A 18 11.733 4.098 -23.212 1.00 22.05 H new ATOM 0 HG1 THR A 18 11.554 1.952 -22.286 1.00 24.22 H new ATOM 0 HG21 THR A 18 13.747 2.891 -22.456 1.00 30.41 H new ATOM 0 HG22 THR A 18 13.897 4.645 -22.198 1.00 30.41 H new ATOM 0 HG23 THR A 18 13.538 3.571 -20.825 1.00 30.41 H new ATOM 279 N ARG A 19 10.411 4.443 -19.210 1.00 53.01 N ATOM 280 CA ARG A 19 10.447 4.161 -17.780 1.00 55.31 C ATOM 281 C ARG A 19 10.334 2.662 -17.518 1.00 53.24 C ATOM 282 O ARG A 19 10.186 1.869 -18.448 1.00 61.22 O ATOM 283 CB ARG A 19 9.315 4.901 -17.064 1.00 40.44 C ATOM 284 CG ARG A 19 9.282 6.393 -17.357 1.00 20.52 C ATOM 285 CD ARG A 19 10.619 7.050 -17.051 1.00 71.24 C ATOM 286 NE ARG A 19 10.458 8.414 -16.557 1.00 15.43 N ATOM 287 CZ ARG A 19 9.922 8.710 -15.378 1.00 10.24 C ATOM 288 NH1 ARG A 19 9.499 7.742 -14.576 1.00 51.24 N ATOM 289 NH2 ARG A 19 9.809 9.976 -14.998 1.00 3.54 N ATOM 0 H ARG A 19 9.498 4.306 -19.644 1.00 53.01 H new ATOM 0 HA ARG A 19 11.404 4.509 -17.391 1.00 55.31 H new ATOM 0 HB2 ARG A 19 8.362 4.461 -17.357 1.00 40.44 H new ATOM 0 HB3 ARG A 19 9.418 4.752 -15.989 1.00 40.44 H new ATOM 0 HG2 ARG A 19 9.028 6.554 -18.405 1.00 20.52 H new ATOM 0 HG3 ARG A 19 8.499 6.864 -16.763 1.00 20.52 H new ATOM 0 HD2 ARG A 19 11.153 6.456 -16.309 1.00 71.24 H new ATOM 0 HD3 ARG A 19 11.232 7.061 -17.952 1.00 71.24 H new ATOM 0 HE ARG A 19 10.774 9.182 -17.149 1.00 15.43 H new ATOM 0 HH11 ARG A 19 9.585 6.767 -14.864 1.00 51.24 H new ATOM 0 HH12 ARG A 19 9.088 7.972 -13.671 1.00 51.24 H new ATOM 0 HH21 ARG A 19 10.134 10.723 -15.611 1.00 3.54 H new ATOM 0 HH22 ARG A 19 9.397 10.202 -14.093 1.00 3.54 H new ATOM 303 N TYR A 20 10.405 2.282 -16.248 1.00 13.04 N ATOM 304 CA TYR A 20 10.314 0.878 -15.864 1.00 14.44 C ATOM 305 C TYR A 20 9.537 0.719 -14.560 1.00 55.44 C ATOM 306 O TYR A 20 9.688 1.515 -13.633 1.00 21.11 O ATOM 307 CB TYR A 20 11.712 0.277 -15.713 1.00 41.31 C ATOM 308 CG TYR A 20 11.935 -0.956 -16.559 1.00 4.02 C ATOM 309 CD1 TYR A 20 11.028 -2.008 -16.541 1.00 32.01 C ATOM 310 CD2 TYR A 20 13.054 -1.070 -17.375 1.00 1.12 C ATOM 311 CE1 TYR A 20 11.228 -3.137 -17.311 1.00 71.23 C ATOM 312 CE2 TYR A 20 13.261 -2.195 -18.150 1.00 5.44 C ATOM 313 CZ TYR A 20 12.346 -3.225 -18.114 1.00 72.53 C ATOM 314 OH TYR A 20 12.550 -4.348 -18.884 1.00 34.14 O ATOM 0 H TYR A 20 10.525 2.926 -15.466 1.00 13.04 H new ATOM 0 HA TYR A 20 9.780 0.346 -16.652 1.00 14.44 H new ATOM 0 HB2 TYR A 20 12.453 1.030 -15.981 1.00 41.31 H new ATOM 0 HB3 TYR A 20 11.879 0.024 -14.666 1.00 41.31 H new ATOM 0 HD1 TYR A 20 10.151 -1.942 -15.914 1.00 32.01 H new ATOM 0 HD2 TYR A 20 13.774 -0.266 -17.404 1.00 1.12 H new ATOM 0 HE1 TYR A 20 10.513 -3.946 -17.285 1.00 71.23 H new ATOM 0 HE2 TYR A 20 14.135 -2.267 -18.780 1.00 5.44 H new ATOM 0 HH TYR A 20 13.383 -4.250 -19.391 1.00 34.14 H new ATOM 324 N TYR A 21 8.705 -0.314 -14.498 1.00 35.10 N ATOM 325 CA TYR A 21 7.901 -0.578 -13.310 1.00 24.10 C ATOM 326 C TYR A 21 7.114 -1.876 -13.462 1.00 25.32 C ATOM 327 O TYR A 21 7.033 -2.442 -14.552 1.00 75.13 O ATOM 328 CB TYR A 21 6.943 0.585 -13.048 1.00 32.30 C ATOM 329 CG TYR A 21 6.581 0.754 -11.590 1.00 35.02 C ATOM 330 CD1 TYR A 21 7.478 1.319 -10.692 1.00 51.51 C ATOM 331 CD2 TYR A 21 5.342 0.348 -11.110 1.00 32.25 C ATOM 332 CE1 TYR A 21 7.152 1.476 -9.359 1.00 34.43 C ATOM 333 CE2 TYR A 21 5.006 0.501 -9.778 1.00 45.43 C ATOM 334 CZ TYR A 21 5.915 1.065 -8.907 1.00 13.52 C ATOM 335 OH TYR A 21 5.585 1.219 -7.580 1.00 30.13 O ATOM 0 H TYR A 21 8.569 -0.983 -15.256 1.00 35.10 H new ATOM 0 HA TYR A 21 8.577 -0.682 -12.461 1.00 24.10 H new ATOM 0 HB2 TYR A 21 7.397 1.507 -13.410 1.00 32.30 H new ATOM 0 HB3 TYR A 21 6.031 0.431 -13.625 1.00 32.30 H new ATOM 0 HD1 TYR A 21 8.447 1.641 -11.042 1.00 51.51 H new ATOM 0 HD2 TYR A 21 4.629 -0.095 -11.790 1.00 32.25 H new ATOM 0 HE1 TYR A 21 7.861 1.918 -8.675 1.00 34.43 H new ATOM 0 HE2 TYR A 21 4.038 0.181 -9.421 1.00 45.43 H new ATOM 0 HH TYR A 21 4.612 1.301 -7.492 1.00 30.13 H new ATOM 345 N TYR A 22 6.537 -2.342 -12.360 1.00 72.22 N ATOM 346 CA TYR A 22 5.757 -3.574 -12.369 1.00 23.45 C ATOM 347 C TYR A 22 4.279 -3.282 -12.605 1.00 34.15 C ATOM 348 O TYR A 22 3.758 -2.259 -12.162 1.00 24.14 O ATOM 349 CB TYR A 22 5.936 -4.324 -11.047 1.00 72.54 C ATOM 350 CG TYR A 22 6.690 -5.627 -11.188 1.00 71.50 C ATOM 351 CD1 TYR A 22 6.078 -6.752 -11.728 1.00 72.01 C ATOM 352 CD2 TYR A 22 8.014 -5.735 -10.780 1.00 54.41 C ATOM 353 CE1 TYR A 22 6.762 -7.945 -11.858 1.00 4.10 C ATOM 354 CE2 TYR A 22 8.706 -6.923 -10.908 1.00 4.15 C ATOM 355 CZ TYR A 22 8.077 -8.025 -11.447 1.00 34.23 C ATOM 356 OH TYR A 22 8.763 -9.211 -11.574 1.00 72.10 O ATOM 0 H TYR A 22 6.595 -1.886 -11.450 1.00 72.22 H new ATOM 0 HA TYR A 22 6.119 -4.198 -13.186 1.00 23.45 H new ATOM 0 HB2 TYR A 22 6.465 -3.682 -10.343 1.00 72.54 H new ATOM 0 HB3 TYR A 22 4.955 -4.526 -10.618 1.00 72.54 H new ATOM 0 HD1 TYR A 22 5.049 -6.692 -12.052 1.00 72.01 H new ATOM 0 HD2 TYR A 22 8.510 -4.875 -10.355 1.00 54.41 H new ATOM 0 HE1 TYR A 22 6.271 -8.810 -12.279 1.00 4.10 H new ATOM 0 HE2 TYR A 22 9.735 -6.989 -10.587 1.00 4.15 H new ATOM 0 HH TYR A 22 9.677 -9.098 -11.239 1.00 72.10 H new ATOM 366 N ASN A 23 3.607 -4.190 -13.306 1.00 3.03 N ATOM 367 CA ASN A 23 2.188 -4.031 -13.602 1.00 21.05 C ATOM 368 C ASN A 23 1.404 -5.273 -13.190 1.00 62.50 C ATOM 369 O ASN A 23 1.935 -6.384 -13.196 1.00 54.24 O ATOM 370 CB ASN A 23 1.984 -3.756 -15.093 1.00 23.42 C ATOM 371 CG ASN A 23 3.229 -4.046 -15.909 1.00 72.35 C ATOM 372 OD1 ASN A 23 4.190 -3.277 -15.892 1.00 13.15 O ATOM 373 ND2 ASN A 23 3.216 -5.161 -16.631 1.00 43.12 N ATOM 0 H ASN A 23 4.023 -5.043 -13.679 1.00 3.03 H new ATOM 0 HA ASN A 23 1.816 -3.182 -13.029 1.00 21.05 H new ATOM 0 HB2 ASN A 23 1.160 -4.366 -15.463 1.00 23.42 H new ATOM 0 HB3 ASN A 23 1.696 -2.714 -15.232 1.00 23.42 H new ATOM 0 HD21 ASN A 23 4.025 -5.409 -17.201 1.00 43.12 H new ATOM 0 HD22 ASN A 23 2.397 -5.769 -16.615 1.00 43.12 H new ATOM 380 N GLU A 24 0.139 -5.077 -12.833 1.00 74.05 N ATOM 381 CA GLU A 24 -0.718 -6.182 -12.419 1.00 2.01 C ATOM 382 C GLU A 24 -1.286 -6.914 -13.631 1.00 72.12 C ATOM 383 O GLU A 24 -0.731 -6.845 -14.727 1.00 2.20 O ATOM 384 CB GLU A 24 -1.859 -5.669 -11.538 1.00 21.21 C ATOM 385 CG GLU A 24 -2.840 -4.772 -12.274 1.00 30.05 C ATOM 386 CD GLU A 24 -4.125 -5.489 -12.640 1.00 64.52 C ATOM 387 OE1 GLU A 24 -4.686 -6.183 -11.766 1.00 54.33 O ATOM 388 OE2 GLU A 24 -4.568 -5.358 -13.800 1.00 62.32 O ATOM 0 H GLU A 24 -0.315 -4.164 -12.822 1.00 74.05 H new ATOM 0 HA GLU A 24 -0.112 -6.883 -11.845 1.00 2.01 H new ATOM 0 HB2 GLU A 24 -2.399 -6.521 -11.124 1.00 21.21 H new ATOM 0 HB3 GLU A 24 -1.438 -5.119 -10.696 1.00 21.21 H new ATOM 0 HG2 GLU A 24 -3.075 -3.909 -11.651 1.00 30.05 H new ATOM 0 HG3 GLU A 24 -2.369 -4.392 -13.181 1.00 30.05 H new ATOM 395 N GLU A 25 -2.396 -7.616 -13.425 1.00 15.54 N ATOM 396 CA GLU A 25 -3.039 -8.362 -14.500 1.00 51.41 C ATOM 397 C GLU A 25 -2.176 -9.543 -14.934 1.00 42.22 C ATOM 398 O GLU A 25 -2.469 -10.208 -15.927 1.00 53.05 O ATOM 399 CB GLU A 25 -3.308 -7.446 -15.696 1.00 53.10 C ATOM 400 CG GLU A 25 -4.752 -7.471 -16.169 1.00 61.43 C ATOM 401 CD GLU A 25 -5.109 -6.267 -17.018 1.00 40.31 C ATOM 402 OE1 GLU A 25 -4.211 -5.743 -17.711 1.00 13.23 O ATOM 403 OE2 GLU A 25 -6.285 -5.848 -16.990 1.00 1.32 O ATOM 0 H GLU A 25 -2.868 -7.684 -12.524 1.00 15.54 H new ATOM 0 HA GLU A 25 -3.988 -8.746 -14.125 1.00 51.41 H new ATOM 0 HB2 GLU A 25 -3.040 -6.424 -15.428 1.00 53.10 H new ATOM 0 HB3 GLU A 25 -2.659 -7.740 -16.521 1.00 53.10 H new ATOM 0 HG2 GLU A 25 -4.926 -8.381 -16.744 1.00 61.43 H new ATOM 0 HG3 GLU A 25 -5.413 -7.509 -15.303 1.00 61.43 H new ATOM 410 N SER A 26 -1.109 -9.797 -14.182 1.00 54.45 N ATOM 411 CA SER A 26 -0.200 -10.894 -14.491 1.00 73.11 C ATOM 412 C SER A 26 1.003 -10.883 -13.553 1.00 34.42 C ATOM 413 O SER A 26 1.619 -11.919 -13.303 1.00 14.40 O ATOM 414 CB SER A 26 0.271 -10.801 -15.944 1.00 12.03 C ATOM 415 OG SER A 26 1.397 -11.631 -16.169 1.00 4.43 O ATOM 0 H SER A 26 -0.853 -9.258 -13.355 1.00 54.45 H new ATOM 0 HA SER A 26 -0.740 -11.831 -14.351 1.00 73.11 H new ATOM 0 HB2 SER A 26 -0.539 -11.093 -16.612 1.00 12.03 H new ATOM 0 HB3 SER A 26 0.523 -9.768 -16.182 1.00 12.03 H new ATOM 0 HG SER A 26 1.678 -11.555 -17.105 1.00 4.43 H new ATOM 421 N GLY A 27 1.331 -9.703 -13.036 1.00 24.35 N ATOM 422 CA GLY A 27 2.459 -9.578 -12.131 1.00 21.33 C ATOM 423 C GLY A 27 3.790 -9.605 -12.856 1.00 20.22 C ATOM 424 O GLY A 27 4.682 -10.377 -12.504 1.00 23.04 O ATOM 0 H GLY A 27 0.836 -8.832 -13.227 1.00 24.35 H new ATOM 0 HA2 GLY A 27 2.372 -8.646 -11.573 1.00 21.33 H new ATOM 0 HA3 GLY A 27 2.429 -10.389 -11.403 1.00 21.33 H new ATOM 428 N LYS A 28 3.925 -8.761 -13.873 1.00 72.43 N ATOM 429 CA LYS A 28 5.156 -8.691 -14.651 1.00 51.33 C ATOM 430 C LYS A 28 5.678 -7.259 -14.715 1.00 55.23 C ATOM 431 O LYS A 28 4.942 -6.307 -14.453 1.00 12.20 O ATOM 432 CB LYS A 28 4.920 -9.223 -16.067 1.00 2.33 C ATOM 433 CG LYS A 28 4.062 -10.475 -16.111 1.00 30.12 C ATOM 434 CD LYS A 28 4.745 -11.644 -15.421 1.00 44.03 C ATOM 435 CE LYS A 28 4.297 -12.975 -16.005 1.00 42.02 C ATOM 436 NZ LYS A 28 3.652 -13.841 -14.980 1.00 61.30 N ATOM 0 H LYS A 28 3.197 -8.115 -14.178 1.00 72.43 H new ATOM 0 HA LYS A 28 5.904 -9.310 -14.157 1.00 51.33 H new ATOM 0 HB2 LYS A 28 4.444 -8.445 -16.664 1.00 2.33 H new ATOM 0 HB3 LYS A 28 5.883 -9.436 -16.531 1.00 2.33 H new ATOM 0 HG2 LYS A 28 3.104 -10.277 -15.631 1.00 30.12 H new ATOM 0 HG3 LYS A 28 3.851 -10.736 -17.148 1.00 30.12 H new ATOM 0 HD2 LYS A 28 5.826 -11.546 -15.522 1.00 44.03 H new ATOM 0 HD3 LYS A 28 4.521 -11.620 -14.355 1.00 44.03 H new ATOM 0 HE2 LYS A 28 3.598 -12.796 -16.822 1.00 42.02 H new ATOM 0 HE3 LYS A 28 5.157 -13.493 -16.429 1.00 42.02 H new ATOM 0 HZ1 LYS A 28 3.126 -14.604 -15.452 1.00 61.30 H new ATOM 0 HZ2 LYS A 28 4.382 -14.253 -14.364 1.00 61.30 H new ATOM 0 HZ3 LYS A 28 2.997 -13.272 -14.407 1.00 61.30 H new ATOM 450 N CYS A 29 6.951 -7.113 -15.067 1.00 14.10 N ATOM 451 CA CYS A 29 7.571 -5.797 -15.167 1.00 30.42 C ATOM 452 C CYS A 29 7.837 -5.431 -16.624 1.00 3.20 C ATOM 453 O CYS A 29 8.252 -6.273 -17.420 1.00 14.31 O ATOM 454 CB CYS A 29 8.879 -5.766 -14.374 1.00 42.22 C ATOM 455 SG CYS A 29 9.641 -4.115 -14.261 1.00 55.33 S ATOM 0 H CYS A 29 7.574 -7.890 -15.288 1.00 14.10 H new ATOM 0 HA CYS A 29 6.882 -5.064 -14.747 1.00 30.42 H new ATOM 0 HB2 CYS A 29 8.690 -6.137 -13.367 1.00 42.22 H new ATOM 0 HB3 CYS A 29 9.589 -6.451 -14.838 1.00 42.22 H new ATOM 460 N GLU A 30 7.596 -4.169 -16.964 1.00 43.55 N ATOM 461 CA GLU A 30 7.810 -3.691 -18.326 1.00 32.13 C ATOM 462 C GLU A 30 8.182 -2.211 -18.331 1.00 63.32 C ATOM 463 O GLU A 30 8.319 -1.589 -17.277 1.00 65.31 O ATOM 464 CB GLU A 30 6.554 -3.915 -19.171 1.00 64.42 C ATOM 465 CG GLU A 30 6.417 -5.336 -19.691 1.00 74.43 C ATOM 466 CD GLU A 30 5.920 -5.388 -21.123 1.00 60.01 C ATOM 467 OE1 GLU A 30 5.035 -4.579 -21.473 1.00 32.32 O ATOM 468 OE2 GLU A 30 6.416 -6.237 -21.893 1.00 52.54 O ATOM 0 H GLU A 30 7.253 -3.459 -16.317 1.00 43.55 H new ATOM 0 HA GLU A 30 8.636 -4.257 -18.757 1.00 32.13 H new ATOM 0 HB2 GLU A 30 5.676 -3.669 -18.574 1.00 64.42 H new ATOM 0 HB3 GLU A 30 6.567 -3.227 -20.016 1.00 64.42 H new ATOM 0 HG2 GLU A 30 7.383 -5.837 -19.627 1.00 74.43 H new ATOM 0 HG3 GLU A 30 5.729 -5.888 -19.051 1.00 74.43 H new ATOM 475 N THR A 31 8.346 -1.653 -19.526 1.00 53.54 N ATOM 476 CA THR A 31 8.704 -0.247 -19.671 1.00 30.34 C ATOM 477 C THR A 31 7.546 0.559 -20.248 1.00 21.03 C ATOM 478 O THR A 31 6.618 0.000 -20.832 1.00 72.02 O ATOM 479 CB THR A 31 9.938 -0.072 -20.576 1.00 30.23 C ATOM 480 OG1 THR A 31 9.607 -0.411 -21.927 1.00 34.41 O ATOM 481 CG2 THR A 31 11.089 -0.944 -20.096 1.00 52.13 C ATOM 0 H THR A 31 8.237 -2.153 -20.408 1.00 53.54 H new ATOM 0 HA THR A 31 8.939 0.124 -18.673 1.00 30.34 H new ATOM 0 HB THR A 31 10.250 0.971 -20.530 1.00 30.23 H new ATOM 0 HG1 THR A 31 10.396 -0.295 -22.496 1.00 34.41 H new ATOM 0 HG21 THR A 31 11.949 -0.804 -20.750 1.00 52.13 H new ATOM 0 HG22 THR A 31 11.358 -0.663 -19.078 1.00 52.13 H new ATOM 0 HG23 THR A 31 10.785 -1.991 -20.116 1.00 52.13 H new ATOM 489 N PHE A 32 7.607 1.876 -20.081 1.00 20.12 N ATOM 490 CA PHE A 32 6.563 2.760 -20.585 1.00 75.45 C ATOM 491 C PHE A 32 7.159 4.060 -21.115 1.00 45.22 C ATOM 492 O PHE A 32 8.005 4.677 -20.466 1.00 60.23 O ATOM 493 CB PHE A 32 5.546 3.064 -19.483 1.00 72.33 C ATOM 494 CG PHE A 32 5.444 1.982 -18.446 1.00 61.35 C ATOM 495 CD1 PHE A 32 6.316 1.951 -17.370 1.00 43.13 C ATOM 496 CD2 PHE A 32 4.476 0.996 -18.548 1.00 20.34 C ATOM 497 CE1 PHE A 32 6.225 0.956 -16.415 1.00 43.14 C ATOM 498 CE2 PHE A 32 4.380 -0.002 -17.595 1.00 51.34 C ATOM 499 CZ PHE A 32 5.255 -0.021 -16.527 1.00 42.34 C ATOM 0 H PHE A 32 8.369 2.355 -19.600 1.00 20.12 H new ATOM 0 HA PHE A 32 6.058 2.252 -21.406 1.00 75.45 H new ATOM 0 HB2 PHE A 32 5.820 3.999 -18.995 1.00 72.33 H new ATOM 0 HB3 PHE A 32 4.566 3.216 -19.936 1.00 72.33 H new ATOM 0 HD1 PHE A 32 7.076 2.713 -17.276 1.00 43.13 H new ATOM 0 HD2 PHE A 32 3.789 1.007 -19.381 1.00 20.34 H new ATOM 0 HE1 PHE A 32 6.912 0.942 -15.582 1.00 43.14 H new ATOM 0 HE2 PHE A 32 3.622 -0.765 -17.686 1.00 51.34 H new ATOM 0 HZ PHE A 32 5.181 -0.798 -15.781 1.00 42.34 H new ATOM 509 N ILE A 33 6.714 4.470 -22.298 1.00 13.12 N ATOM 510 CA ILE A 33 7.203 5.697 -22.915 1.00 31.23 C ATOM 511 C ILE A 33 6.557 6.925 -22.283 1.00 52.22 C ATOM 512 O ILE A 33 5.365 7.176 -22.466 1.00 22.01 O ATOM 513 CB ILE A 33 6.933 5.711 -24.431 1.00 20.01 C ATOM 514 CG1 ILE A 33 7.366 4.385 -25.060 1.00 52.24 C ATOM 515 CG2 ILE A 33 7.658 6.877 -25.087 1.00 72.30 C ATOM 516 CD1 ILE A 33 6.207 3.503 -25.467 1.00 74.32 C ATOM 0 H ILE A 33 6.016 3.970 -22.848 1.00 13.12 H new ATOM 0 HA ILE A 33 8.279 5.728 -22.746 1.00 31.23 H new ATOM 0 HB ILE A 33 5.863 5.836 -24.594 1.00 20.01 H new ATOM 0 HG12 ILE A 33 7.980 4.591 -25.936 1.00 52.24 H new ATOM 0 HG13 ILE A 33 7.993 3.844 -24.352 1.00 52.24 H new ATOM 0 HG21 ILE A 33 7.458 6.874 -26.158 1.00 72.30 H new ATOM 0 HG22 ILE A 33 7.306 7.814 -24.655 1.00 72.30 H new ATOM 0 HG23 ILE A 33 8.730 6.780 -24.918 1.00 72.30 H new ATOM 0 HD11 ILE A 33 6.588 2.581 -25.905 1.00 74.32 H new ATOM 0 HD12 ILE A 33 5.604 3.266 -24.590 1.00 74.32 H new ATOM 0 HD13 ILE A 33 5.592 4.026 -26.200 1.00 74.32 H new ATOM 528 N TYR A 34 7.351 7.689 -21.541 1.00 71.21 N ATOM 529 CA TYR A 34 6.857 8.892 -20.882 1.00 35.44 C ATOM 530 C TYR A 34 7.587 10.131 -21.389 1.00 65.23 C ATOM 531 O TYR A 34 8.774 10.078 -21.710 1.00 70.10 O ATOM 532 CB TYR A 34 7.023 8.773 -19.366 1.00 24.42 C ATOM 533 CG TYR A 34 7.325 10.088 -18.685 1.00 14.53 C ATOM 534 CD1 TYR A 34 6.323 11.028 -18.471 1.00 61.13 C ATOM 535 CD2 TYR A 34 8.610 10.393 -18.255 1.00 64.13 C ATOM 536 CE1 TYR A 34 6.594 12.232 -17.850 1.00 74.21 C ATOM 537 CE2 TYR A 34 8.890 11.594 -17.632 1.00 33.41 C ATOM 538 CZ TYR A 34 7.878 12.510 -17.432 1.00 22.32 C ATOM 539 OH TYR A 34 8.153 13.707 -16.812 1.00 52.54 O ATOM 0 H TYR A 34 8.340 7.496 -21.381 1.00 71.21 H new ATOM 0 HA TYR A 34 5.798 8.995 -21.118 1.00 35.44 H new ATOM 0 HB2 TYR A 34 6.111 8.354 -18.941 1.00 24.42 H new ATOM 0 HB3 TYR A 34 7.827 8.069 -19.151 1.00 24.42 H new ATOM 0 HD1 TYR A 34 5.316 10.813 -18.796 1.00 61.13 H new ATOM 0 HD2 TYR A 34 9.405 9.678 -18.410 1.00 64.13 H new ATOM 0 HE1 TYR A 34 5.804 12.952 -17.693 1.00 74.21 H new ATOM 0 HE2 TYR A 34 9.895 11.814 -17.304 1.00 33.41 H new ATOM 0 HH TYR A 34 9.104 13.744 -16.580 1.00 52.54 H new ATOM 549 N GLY A 35 6.869 11.247 -21.459 1.00 15.24 N ATOM 550 CA GLY A 35 7.464 12.485 -21.927 1.00 71.02 C ATOM 551 C GLY A 35 6.494 13.649 -21.881 1.00 73.32 C ATOM 552 O GLY A 35 5.454 13.626 -22.539 1.00 45.12 O ATOM 0 H GLY A 35 5.885 11.316 -21.200 1.00 15.24 H new ATOM 0 HA2 GLY A 35 8.336 12.719 -21.316 1.00 71.02 H new ATOM 0 HA3 GLY A 35 7.817 12.351 -22.949 1.00 71.02 H new ATOM 556 N GLY A 36 6.833 14.670 -21.100 1.00 32.44 N ATOM 557 CA GLY A 36 5.972 15.832 -20.983 1.00 44.53 C ATOM 558 C GLY A 36 5.037 15.745 -19.793 1.00 44.24 C ATOM 559 O GLY A 36 5.297 16.338 -18.746 1.00 34.21 O ATOM 0 H GLY A 36 7.689 14.713 -20.546 1.00 32.44 H new ATOM 0 HA2 GLY A 36 6.587 16.728 -20.893 1.00 44.53 H new ATOM 0 HA3 GLY A 36 5.385 15.938 -21.895 1.00 44.53 H new ATOM 563 N VAL A 37 3.945 15.005 -19.954 1.00 52.22 N ATOM 564 CA VAL A 37 2.967 14.843 -18.885 1.00 22.22 C ATOM 565 C VAL A 37 3.426 13.797 -17.875 1.00 2.33 C ATOM 566 O VAL A 37 3.603 12.628 -18.213 1.00 31.32 O ATOM 567 CB VAL A 37 1.590 14.434 -19.441 1.00 21.05 C ATOM 568 CG1 VAL A 37 0.508 14.639 -18.391 1.00 43.12 C ATOM 569 CG2 VAL A 37 1.273 15.217 -20.706 1.00 32.04 C ATOM 0 H VAL A 37 3.715 14.508 -20.815 1.00 52.22 H new ATOM 0 HA VAL A 37 2.877 15.809 -18.389 1.00 22.22 H new ATOM 0 HB VAL A 37 1.620 13.374 -19.695 1.00 21.05 H new ATOM 0 HG11 VAL A 37 -0.458 14.345 -18.802 1.00 43.12 H new ATOM 0 HG12 VAL A 37 0.731 14.030 -17.515 1.00 43.12 H new ATOM 0 HG13 VAL A 37 0.475 15.690 -18.103 1.00 43.12 H new ATOM 0 HG21 VAL A 37 0.297 14.916 -21.085 1.00 32.04 H new ATOM 0 HG22 VAL A 37 1.261 16.283 -20.481 1.00 32.04 H new ATOM 0 HG23 VAL A 37 2.034 15.014 -21.460 1.00 32.04 H new ATOM 579 N GLY A 38 3.618 14.227 -16.631 1.00 55.41 N ATOM 580 CA GLY A 38 4.054 13.316 -15.590 1.00 21.22 C ATOM 581 C GLY A 38 3.078 12.177 -15.369 1.00 51.41 C ATOM 582 O GLY A 38 1.877 12.328 -15.592 1.00 24.23 O ATOM 0 H GLY A 38 3.479 15.190 -16.326 1.00 55.41 H new ATOM 0 HA2 GLY A 38 5.030 12.908 -15.854 1.00 21.22 H new ATOM 0 HA3 GLY A 38 4.181 13.868 -14.658 1.00 21.22 H new ATOM 586 N GLY A 39 3.594 11.033 -14.931 1.00 45.11 N ATOM 587 CA GLY A 39 2.746 9.881 -14.690 1.00 23.45 C ATOM 588 C GLY A 39 2.815 9.401 -13.253 1.00 65.34 C ATOM 589 O GLY A 39 3.682 9.826 -12.491 1.00 64.31 O ATOM 0 H GLY A 39 4.585 10.884 -14.739 1.00 45.11 H new ATOM 0 HA2 GLY A 39 1.715 10.135 -14.936 1.00 23.45 H new ATOM 0 HA3 GLY A 39 3.042 9.070 -15.355 1.00 23.45 H new ATOM 593 N ASN A 40 1.898 8.513 -12.883 1.00 0.32 N ATOM 594 CA ASN A 40 1.857 7.977 -11.527 1.00 63.22 C ATOM 595 C ASN A 40 3.147 7.230 -11.199 1.00 14.23 C ATOM 596 O ASN A 40 4.142 7.345 -11.914 1.00 31.11 O ATOM 597 CB ASN A 40 0.657 7.042 -11.362 1.00 63.03 C ATOM 598 CG ASN A 40 -0.595 7.588 -12.020 1.00 74.30 C ATOM 599 OD1 ASN A 40 -0.889 7.278 -13.175 1.00 31.23 O ATOM 600 ND2 ASN A 40 -1.341 8.405 -11.286 1.00 2.44 N ATOM 0 H ASN A 40 1.174 8.150 -13.503 1.00 0.32 H new ATOM 0 HA ASN A 40 1.755 8.813 -10.835 1.00 63.22 H new ATOM 0 HB2 ASN A 40 0.896 6.069 -11.792 1.00 63.03 H new ATOM 0 HB3 ASN A 40 0.467 6.883 -10.301 1.00 63.03 H new ATOM 0 HD21 ASN A 40 -2.196 8.803 -11.675 1.00 2.44 H new ATOM 0 HD22 ASN A 40 -1.059 8.635 -10.333 1.00 2.44 H new ATOM 607 N SER A 41 3.120 6.465 -10.112 1.00 45.01 N ATOM 608 CA SER A 41 4.288 5.702 -9.686 1.00 72.24 C ATOM 609 C SER A 41 4.563 4.549 -10.647 1.00 70.02 C ATOM 610 O SER A 41 5.584 3.870 -10.543 1.00 14.11 O ATOM 611 CB SER A 41 4.082 5.162 -8.270 1.00 34.11 C ATOM 612 OG SER A 41 5.295 4.666 -7.731 1.00 41.34 O ATOM 0 H SER A 41 2.303 6.357 -9.511 1.00 45.01 H new ATOM 0 HA SER A 41 5.149 6.370 -9.691 1.00 72.24 H new ATOM 0 HB2 SER A 41 3.692 5.953 -7.629 1.00 34.11 H new ATOM 0 HB3 SER A 41 3.336 4.368 -8.286 1.00 34.11 H new ATOM 0 HG SER A 41 5.837 4.277 -8.449 1.00 41.34 H new ATOM 618 N ASN A 42 3.644 4.335 -11.583 1.00 32.30 N ATOM 619 CA ASN A 42 3.786 3.264 -12.563 1.00 30.11 C ATOM 620 C ASN A 42 4.960 3.535 -13.499 1.00 0.24 C ATOM 621 O ASN A 42 5.385 2.657 -14.249 1.00 15.42 O ATOM 622 CB ASN A 42 2.497 3.112 -13.374 1.00 5.02 C ATOM 623 CG ASN A 42 2.163 1.661 -13.661 1.00 13.10 C ATOM 624 OD1 ASN A 42 2.145 0.826 -12.757 1.00 22.22 O ATOM 625 ND2 ASN A 42 1.895 1.355 -14.925 1.00 70.11 N ATOM 0 H ASN A 42 2.793 4.889 -11.684 1.00 32.30 H new ATOM 0 HA ASN A 42 3.980 2.336 -12.025 1.00 30.11 H new ATOM 0 HB2 ASN A 42 1.672 3.571 -12.829 1.00 5.02 H new ATOM 0 HB3 ASN A 42 2.597 3.652 -14.315 1.00 5.02 H new ATOM 0 HD21 ASN A 42 1.662 0.395 -15.179 1.00 70.11 H new ATOM 0 HD22 ASN A 42 1.922 2.080 -15.642 1.00 70.11 H new ATOM 632 N ASN A 43 5.480 4.757 -13.448 1.00 2.24 N ATOM 633 CA ASN A 43 6.606 5.145 -14.290 1.00 75.35 C ATOM 634 C ASN A 43 7.810 5.539 -13.442 1.00 4.22 C ATOM 635 O ASN A 43 7.747 6.484 -12.655 1.00 53.11 O ATOM 636 CB ASN A 43 6.209 6.306 -15.204 1.00 50.02 C ATOM 637 CG ASN A 43 5.111 7.164 -14.606 1.00 33.42 C ATOM 638 OD1 ASN A 43 5.379 8.201 -14.000 1.00 54.31 O ATOM 639 ND2 ASN A 43 3.866 6.732 -14.773 1.00 50.12 N ATOM 0 H ASN A 43 5.140 5.496 -12.832 1.00 2.24 H new ATOM 0 HA ASN A 43 6.882 4.287 -14.903 1.00 75.35 H new ATOM 0 HB2 ASN A 43 7.084 6.926 -15.400 1.00 50.02 H new ATOM 0 HB3 ASN A 43 5.876 5.911 -16.164 1.00 50.02 H new ATOM 0 HD21 ASN A 43 3.085 7.266 -14.392 1.00 50.12 H new ATOM 0 HD22 ASN A 43 3.691 5.866 -15.283 1.00 50.12 H new ATOM 646 N PHE A 44 8.908 4.809 -13.607 1.00 44.15 N ATOM 647 CA PHE A 44 10.128 5.082 -12.857 1.00 24.03 C ATOM 648 C PHE A 44 11.343 5.096 -13.780 1.00 24.32 C ATOM 649 O PHE A 44 11.458 4.270 -14.686 1.00 61.25 O ATOM 650 CB PHE A 44 10.321 4.035 -11.757 1.00 52.43 C ATOM 651 CG PHE A 44 10.317 4.614 -10.371 1.00 53.23 C ATOM 652 CD1 PHE A 44 11.481 5.113 -9.811 1.00 44.42 C ATOM 653 CD2 PHE A 44 9.148 4.659 -9.628 1.00 71.54 C ATOM 654 CE1 PHE A 44 11.481 5.647 -8.536 1.00 50.11 C ATOM 655 CE2 PHE A 44 9.141 5.191 -8.353 1.00 43.42 C ATOM 656 CZ PHE A 44 10.309 5.685 -7.806 1.00 4.11 C ATOM 0 H PHE A 44 8.978 4.023 -14.254 1.00 44.15 H new ATOM 0 HA PHE A 44 10.030 6.066 -12.399 1.00 24.03 H new ATOM 0 HB2 PHE A 44 9.529 3.290 -11.833 1.00 52.43 H new ATOM 0 HB3 PHE A 44 11.265 3.516 -11.922 1.00 52.43 H new ATOM 0 HD1 PHE A 44 12.400 5.085 -10.377 1.00 44.42 H new ATOM 0 HD2 PHE A 44 8.232 4.274 -10.051 1.00 71.54 H new ATOM 0 HE1 PHE A 44 12.396 6.034 -8.111 1.00 50.11 H new ATOM 0 HE2 PHE A 44 8.223 5.221 -7.785 1.00 43.42 H new ATOM 0 HZ PHE A 44 10.306 6.100 -6.809 1.00 4.11 H new ATOM 666 N LEU A 45 12.248 6.039 -13.543 1.00 11.30 N ATOM 667 CA LEU A 45 13.455 6.162 -14.353 1.00 2.34 C ATOM 668 C LEU A 45 14.462 5.073 -13.997 1.00 44.34 C ATOM 669 O LEU A 45 15.568 5.033 -14.539 1.00 52.40 O ATOM 670 CB LEU A 45 14.087 7.541 -14.155 1.00 40.43 C ATOM 671 CG LEU A 45 13.210 8.740 -14.519 1.00 71.23 C ATOM 672 CD1 LEU A 45 12.344 9.146 -13.337 1.00 74.02 C ATOM 673 CD2 LEU A 45 14.069 9.909 -14.980 1.00 75.42 C ATOM 0 H LEU A 45 12.169 6.730 -12.797 1.00 11.30 H new ATOM 0 HA LEU A 45 13.175 6.044 -15.400 1.00 2.34 H new ATOM 0 HB2 LEU A 45 14.383 7.636 -13.110 1.00 40.43 H new ATOM 0 HB3 LEU A 45 14.999 7.589 -14.750 1.00 40.43 H new ATOM 0 HG LEU A 45 12.555 8.450 -15.341 1.00 71.23 H new ATOM 0 HD11 LEU A 45 11.727 10.001 -13.615 1.00 74.02 H new ATOM 0 HD12 LEU A 45 11.702 8.312 -13.053 1.00 74.02 H new ATOM 0 HD13 LEU A 45 12.981 9.417 -12.495 1.00 74.02 H new ATOM 0 HD21 LEU A 45 13.428 10.753 -15.235 1.00 75.42 H new ATOM 0 HD22 LEU A 45 14.749 10.199 -14.179 1.00 75.42 H new ATOM 0 HD23 LEU A 45 14.645 9.613 -15.857 1.00 75.42 H new ATOM 685 N THR A 46 14.073 4.189 -13.085 1.00 33.34 N ATOM 686 CA THR A 46 14.940 3.098 -12.658 1.00 3.44 C ATOM 687 C THR A 46 14.545 1.787 -13.326 1.00 71.15 C ATOM 688 O THR A 46 13.427 1.643 -13.822 1.00 61.30 O ATOM 689 CB THR A 46 14.900 2.914 -11.129 1.00 3.32 C ATOM 690 OG1 THR A 46 13.553 2.691 -10.697 1.00 63.14 O ATOM 691 CG2 THR A 46 15.469 4.135 -10.422 1.00 12.43 C ATOM 0 H THR A 46 13.162 4.207 -12.627 1.00 33.34 H new ATOM 0 HA THR A 46 15.953 3.364 -12.959 1.00 3.44 H new ATOM 0 HB THR A 46 15.511 2.048 -10.874 1.00 3.32 H new ATOM 0 HG1 THR A 46 13.173 3.531 -10.365 1.00 63.14 H new ATOM 0 HG21 THR A 46 15.430 3.982 -9.344 1.00 12.43 H new ATOM 0 HG22 THR A 46 16.504 4.285 -10.730 1.00 12.43 H new ATOM 0 HG23 THR A 46 14.881 5.014 -10.685 1.00 12.43 H new ATOM 699 N LYS A 47 15.468 0.832 -13.337 1.00 24.40 N ATOM 700 CA LYS A 47 15.216 -0.470 -13.943 1.00 63.33 C ATOM 701 C LYS A 47 15.152 -1.562 -12.880 1.00 63.33 C ATOM 702 O LYS A 47 14.071 -2.021 -12.514 1.00 71.10 O ATOM 703 CB LYS A 47 16.308 -0.801 -14.964 1.00 11.52 C ATOM 704 CG LYS A 47 16.309 -2.254 -15.404 1.00 23.21 C ATOM 705 CD LYS A 47 16.672 -2.392 -16.873 1.00 52.31 C ATOM 706 CE LYS A 47 18.041 -3.030 -17.052 1.00 51.20 C ATOM 707 NZ LYS A 47 18.127 -3.813 -18.316 1.00 0.32 N ATOM 0 H LYS A 47 16.399 0.935 -12.933 1.00 24.40 H new ATOM 0 HA LYS A 47 14.253 -0.425 -14.452 1.00 63.33 H new ATOM 0 HB2 LYS A 47 16.179 -0.165 -15.840 1.00 11.52 H new ATOM 0 HB3 LYS A 47 17.280 -0.560 -14.535 1.00 11.52 H new ATOM 0 HG2 LYS A 47 17.019 -2.818 -14.799 1.00 23.21 H new ATOM 0 HG3 LYS A 47 15.325 -2.689 -15.229 1.00 23.21 H new ATOM 0 HD2 LYS A 47 15.919 -2.996 -17.380 1.00 52.31 H new ATOM 0 HD3 LYS A 47 16.663 -1.409 -17.345 1.00 52.31 H new ATOM 0 HE2 LYS A 47 18.806 -2.254 -17.053 1.00 51.20 H new ATOM 0 HE3 LYS A 47 18.251 -3.683 -16.205 1.00 51.20 H new ATOM 0 HZ1 LYS A 47 19.075 -4.232 -18.401 1.00 0.32 H new ATOM 0 HZ2 LYS A 47 17.414 -4.570 -18.305 1.00 0.32 H new ATOM 0 HZ3 LYS A 47 17.952 -3.185 -19.126 1.00 0.32 H new ATOM 721 N GLU A 48 16.317 -1.972 -12.388 1.00 63.45 N ATOM 722 CA GLU A 48 16.392 -3.010 -11.367 1.00 33.12 C ATOM 723 C GLU A 48 15.436 -2.710 -10.216 1.00 0.23 C ATOM 724 O GLU A 48 14.739 -3.598 -9.725 1.00 62.54 O ATOM 725 CB GLU A 48 17.822 -3.134 -10.838 1.00 30.34 C ATOM 726 CG GLU A 48 18.528 -4.404 -11.283 1.00 73.01 C ATOM 727 CD GLU A 48 19.534 -4.901 -10.263 1.00 52.21 C ATOM 728 OE1 GLU A 48 20.651 -4.346 -10.212 1.00 64.24 O ATOM 729 OE2 GLU A 48 19.203 -5.845 -9.515 1.00 53.23 O ATOM 0 H GLU A 48 17.221 -1.601 -12.680 1.00 63.45 H new ATOM 0 HA GLU A 48 16.099 -3.955 -11.824 1.00 33.12 H new ATOM 0 HB2 GLU A 48 18.400 -2.272 -11.171 1.00 30.34 H new ATOM 0 HB3 GLU A 48 17.801 -3.103 -9.749 1.00 30.34 H new ATOM 0 HG2 GLU A 48 17.787 -5.182 -11.466 1.00 73.01 H new ATOM 0 HG3 GLU A 48 19.037 -4.220 -12.229 1.00 73.01 H new ATOM 736 N ASP A 49 15.410 -1.452 -9.789 1.00 51.04 N ATOM 737 CA ASP A 49 14.540 -1.033 -8.696 1.00 61.04 C ATOM 738 C ASP A 49 13.120 -1.551 -8.903 1.00 22.13 C ATOM 739 O ASP A 49 12.406 -1.837 -7.941 1.00 23.20 O ATOM 740 CB ASP A 49 14.528 0.492 -8.582 1.00 1.14 C ATOM 741 CG ASP A 49 15.754 1.029 -7.870 1.00 24.33 C ATOM 742 OD1 ASP A 49 16.701 0.246 -7.648 1.00 22.42 O ATOM 743 OD2 ASP A 49 15.767 2.232 -7.534 1.00 32.33 O ATOM 0 H ASP A 49 15.981 -0.705 -10.183 1.00 51.04 H new ATOM 0 HA ASP A 49 14.931 -1.456 -7.770 1.00 61.04 H new ATOM 0 HB2 ASP A 49 14.471 0.928 -9.580 1.00 1.14 H new ATOM 0 HB3 ASP A 49 13.633 0.806 -8.045 1.00 1.14 H new ATOM 748 N CYS A 50 12.716 -1.669 -10.163 1.00 50.51 N ATOM 749 CA CYS A 50 11.381 -2.150 -10.497 1.00 21.41 C ATOM 750 C CYS A 50 10.993 -3.332 -9.613 1.00 72.33 C ATOM 751 O CYS A 50 9.969 -3.301 -8.930 1.00 0.23 O ATOM 752 CB CYS A 50 11.317 -2.558 -11.970 1.00 70.01 C ATOM 753 SG CYS A 50 9.787 -3.432 -12.434 1.00 1.51 S ATOM 0 H CYS A 50 13.295 -1.438 -10.970 1.00 50.51 H new ATOM 0 HA CYS A 50 10.674 -1.339 -10.321 1.00 21.41 H new ATOM 0 HB2 CYS A 50 11.414 -1.665 -12.588 1.00 70.01 H new ATOM 0 HB3 CYS A 50 12.171 -3.197 -12.196 1.00 70.01 H new ATOM 758 N CYS A 51 11.817 -4.374 -9.632 1.00 65.12 N ATOM 759 CA CYS A 51 11.562 -5.567 -8.834 1.00 11.10 C ATOM 760 C CYS A 51 11.470 -5.220 -7.351 1.00 10.51 C ATOM 761 O CYS A 51 10.598 -5.719 -6.639 1.00 5.32 O ATOM 762 CB CYS A 51 12.665 -6.603 -9.059 1.00 3.40 C ATOM 763 SG CYS A 51 12.071 -8.324 -9.106 1.00 20.04 S ATOM 0 H CYS A 51 12.668 -4.416 -10.192 1.00 65.12 H new ATOM 0 HA CYS A 51 10.608 -5.988 -9.151 1.00 11.10 H new ATOM 0 HB2 CYS A 51 13.173 -6.379 -9.997 1.00 3.40 H new ATOM 0 HB3 CYS A 51 13.406 -6.507 -8.265 1.00 3.40 H new ATOM 768 N ARG A 52 12.375 -4.361 -6.893 1.00 11.32 N ATOM 769 CA ARG A 52 12.397 -3.947 -5.495 1.00 72.10 C ATOM 770 C ARG A 52 11.056 -3.343 -5.086 1.00 25.44 C ATOM 771 O ARG A 52 10.576 -3.570 -3.976 1.00 24.54 O ATOM 772 CB ARG A 52 13.518 -2.934 -5.258 1.00 41.24 C ATOM 773 CG ARG A 52 14.314 -3.191 -3.989 1.00 74.01 C ATOM 774 CD ARG A 52 15.009 -4.542 -4.032 1.00 24.50 C ATOM 775 NE ARG A 52 14.599 -5.405 -2.927 1.00 50.21 N ATOM 776 CZ ARG A 52 15.017 -6.657 -2.778 1.00 15.13 C ATOM 777 NH1 ARG A 52 15.852 -7.190 -3.658 1.00 44.11 N ATOM 778 NH2 ARG A 52 14.598 -7.378 -1.746 1.00 23.53 N ATOM 0 H ARG A 52 13.103 -3.938 -7.470 1.00 11.32 H new ATOM 0 HA ARG A 52 12.580 -4.830 -4.883 1.00 72.10 H new ATOM 0 HB2 ARG A 52 14.196 -2.949 -6.111 1.00 41.24 H new ATOM 0 HB3 ARG A 52 13.088 -1.934 -5.210 1.00 41.24 H new ATOM 0 HG2 ARG A 52 15.056 -2.403 -3.858 1.00 74.01 H new ATOM 0 HG3 ARG A 52 13.649 -3.150 -3.126 1.00 74.01 H new ATOM 0 HD2 ARG A 52 14.786 -5.034 -4.978 1.00 24.50 H new ATOM 0 HD3 ARG A 52 16.089 -4.395 -3.996 1.00 24.50 H new ATOM 0 HE ARG A 52 13.956 -5.025 -2.232 1.00 50.21 H new ATOM 0 HH11 ARG A 52 16.176 -6.639 -4.453 1.00 44.11 H new ATOM 0 HH12 ARG A 52 16.171 -8.152 -3.541 1.00 44.11 H new ATOM 0 HH21 ARG A 52 13.955 -6.971 -1.067 1.00 23.53 H new ATOM 0 HH22 ARG A 52 14.919 -8.339 -1.632 1.00 23.53 H new ATOM 792 N GLU A 53 10.459 -2.574 -5.990 1.00 10.42 N ATOM 793 CA GLU A 53 9.175 -1.937 -5.721 1.00 41.32 C ATOM 794 C GLU A 53 8.122 -2.974 -5.342 1.00 51.10 C ATOM 795 O GLU A 53 7.221 -2.699 -4.549 1.00 32.20 O ATOM 796 CB GLU A 53 8.708 -1.143 -6.944 1.00 25.34 C ATOM 797 CG GLU A 53 8.938 0.354 -6.822 1.00 21.35 C ATOM 798 CD GLU A 53 9.952 0.872 -7.823 1.00 23.13 C ATOM 799 OE1 GLU A 53 9.894 0.451 -8.997 1.00 52.22 O ATOM 800 OE2 GLU A 53 10.804 1.697 -7.432 1.00 51.32 O ATOM 0 H GLU A 53 10.843 -2.377 -6.914 1.00 10.42 H new ATOM 0 HA GLU A 53 9.306 -1.254 -4.882 1.00 41.32 H new ATOM 0 HB2 GLU A 53 9.230 -1.512 -7.827 1.00 25.34 H new ATOM 0 HB3 GLU A 53 7.645 -1.327 -7.102 1.00 25.34 H new ATOM 0 HG2 GLU A 53 7.992 0.876 -6.966 1.00 21.35 H new ATOM 0 HG3 GLU A 53 9.279 0.584 -5.813 1.00 21.35 H new ATOM 807 N CYS A 54 8.242 -4.167 -5.915 1.00 11.22 N ATOM 808 CA CYS A 54 7.301 -5.246 -5.639 1.00 63.04 C ATOM 809 C CYS A 54 7.966 -6.353 -4.826 1.00 2.20 C ATOM 810 O CYS A 54 7.317 -7.319 -4.426 1.00 42.13 O ATOM 811 CB CYS A 54 6.753 -5.819 -6.948 1.00 14.14 C ATOM 812 SG CYS A 54 4.940 -5.719 -7.101 1.00 21.12 S ATOM 0 H CYS A 54 8.982 -4.411 -6.573 1.00 11.22 H new ATOM 0 HA CYS A 54 6.477 -4.836 -5.056 1.00 63.04 H new ATOM 0 HB2 CYS A 54 7.208 -5.287 -7.784 1.00 14.14 H new ATOM 0 HB3 CYS A 54 7.057 -6.862 -7.031 1.00 14.14 H new ATOM 817 N ALA A 55 9.265 -6.204 -4.585 1.00 14.42 N ATOM 818 CA ALA A 55 10.017 -7.188 -3.818 1.00 21.44 C ATOM 819 C ALA A 55 9.611 -7.166 -2.348 1.00 4.12 C ATOM 820 O ALA A 55 9.970 -8.060 -1.583 1.00 21.45 O ATOM 821 CB ALA A 55 11.511 -6.938 -3.959 1.00 2.44 C ATOM 0 H ALA A 55 9.818 -5.411 -4.910 1.00 14.42 H new ATOM 0 HA ALA A 55 9.786 -8.176 -4.217 1.00 21.44 H new ATOM 0 HB1 ALA A 55 12.060 -7.681 -3.381 1.00 2.44 H new ATOM 0 HB2 ALA A 55 11.795 -7.013 -5.009 1.00 2.44 H new ATOM 0 HB3 ALA A 55 11.750 -5.941 -3.589 1.00 2.44 H new ATOM 827 N GLN A 56 8.863 -6.138 -1.961 1.00 51.00 N ATOM 828 CA GLN A 56 8.410 -6.000 -0.582 1.00 3.51 C ATOM 829 C GLN A 56 7.252 -6.948 -0.291 1.00 62.31 C ATOM 830 O GLN A 56 6.981 -7.278 0.863 1.00 41.22 O ATOM 831 CB GLN A 56 7.985 -4.557 -0.305 1.00 12.50 C ATOM 832 CG GLN A 56 8.948 -3.521 -0.862 1.00 52.31 C ATOM 833 CD GLN A 56 10.375 -3.742 -0.400 1.00 34.12 C ATOM 834 OE1 GLN A 56 11.234 -4.159 -1.177 1.00 54.03 O ATOM 835 NE2 GLN A 56 10.635 -3.463 0.872 1.00 20.20 N ATOM 0 H GLN A 56 8.558 -5.389 -2.582 1.00 51.00 H new ATOM 0 HA GLN A 56 9.241 -6.259 0.074 1.00 3.51 H new ATOM 0 HB2 GLN A 56 6.997 -4.390 -0.733 1.00 12.50 H new ATOM 0 HB3 GLN A 56 7.894 -4.414 0.772 1.00 12.50 H new ATOM 0 HG2 GLN A 56 8.915 -3.548 -1.951 1.00 52.31 H new ATOM 0 HG3 GLN A 56 8.622 -2.527 -0.558 1.00 52.31 H new ATOM 0 HE21 GLN A 56 9.892 -3.119 1.481 1.00 20.20 H new ATOM 0 HE22 GLN A 56 11.577 -3.592 1.240 1.00 20.20 H new ATOM 844 N GLY A 57 6.571 -7.384 -1.347 1.00 22.43 N ATOM 845 CA GLY A 57 5.450 -8.291 -1.183 1.00 53.33 C ATOM 846 C GLY A 57 5.099 -9.016 -2.467 1.00 71.41 C ATOM 847 O GLY A 57 3.923 -9.190 -2.789 1.00 5.04 O ATOM 0 H GLY A 57 6.776 -7.125 -2.312 1.00 22.43 H new ATOM 0 HA2 GLY A 57 5.688 -9.022 -0.410 1.00 53.33 H new ATOM 0 HA3 GLY A 57 4.581 -7.731 -0.836 1.00 53.33 H new ATOM 851 N SER A 58 6.121 -9.440 -3.204 1.00 31.12 N ATOM 852 CA SER A 58 5.915 -10.146 -4.463 1.00 33.21 C ATOM 853 C SER A 58 7.240 -10.650 -5.027 1.00 11.52 C ATOM 854 O SER A 58 7.506 -11.852 -5.041 1.00 14.11 O ATOM 855 CB SER A 58 5.230 -9.231 -5.479 1.00 52.53 C ATOM 856 OG SER A 58 4.353 -9.964 -6.316 1.00 54.24 O ATOM 0 H SER A 58 7.100 -9.307 -2.951 1.00 31.12 H new ATOM 0 HA SER A 58 5.273 -11.005 -4.268 1.00 33.21 H new ATOM 0 HB2 SER A 58 4.673 -8.454 -4.956 1.00 52.53 H new ATOM 0 HB3 SER A 58 5.983 -8.729 -6.087 1.00 52.53 H new ATOM 0 HG SER A 58 3.926 -9.356 -6.955 1.00 54.24 H new ATOM 862 N CYS A 59 8.069 -9.721 -5.491 1.00 52.34 N ATOM 863 CA CYS A 59 9.367 -10.067 -6.057 1.00 72.44 C ATOM 864 C CYS A 59 10.351 -10.463 -4.960 1.00 74.21 C ATOM 865 O CYS A 59 11.079 -11.447 -5.092 1.00 32.15 O ATOM 866 CB CYS A 59 9.927 -8.892 -6.860 1.00 41.51 C ATOM 867 SG CYS A 59 11.671 -9.089 -7.350 1.00 33.04 S ATOM 0 H CYS A 59 7.864 -8.722 -5.486 1.00 52.34 H new ATOM 0 HA CYS A 59 9.229 -10.919 -6.722 1.00 72.44 H new ATOM 0 HB2 CYS A 59 9.322 -8.757 -7.757 1.00 41.51 H new ATOM 0 HB3 CYS A 59 9.828 -7.982 -6.269 1.00 41.51 H new TER 872 CYS A 59