USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 647 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 7 ASN : amide:sc= -0.399 X(o=-1.6,f=-1.3) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 161:sc= -1.25 (180deg=-1.55!) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0558 (180deg=0) USER MOD Single : A 4 SER OG : rot -54:sc= 0.714 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 76:sc= 1.84 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 46:sc= 0.174 USER MOD Single : A 21 GLN : amide:sc= -0.0371 X(o=-0.037,f=-0.36) USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0322) USER MOD Single : A 25 LYS NZ :NH3+ -151:sc= -0.127 (180deg=-0.856) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.081 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0377 USER MOD Single : A 40 ASN : amide:sc= -2.61! C(o=-2.6!,f=-4.9!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0145 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -169:sc= -0.0135 (180deg=-0.178) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -1.64 K(o=-1.6,f=-0.17) USER MOD Single : A 71 THR OG1 : rot 100:sc= -3.81! USER MOD Single : A 77 ASN : amide:sc= -0.746 X(o=-0.75,f=-0.27) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 154:sc= -0.152 (180deg=-0.635) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.348 1.676 -9.248 1.00 51.20 N ATOM 2 CA GLY A 1 7.265 2.313 -8.320 1.00 72.54 C ATOM 3 C GLY A 1 6.629 2.585 -6.972 1.00 12.13 C ATOM 4 O GLY A 1 5.415 2.468 -6.799 1.00 5.14 O ATOM 0 H1 GLY A 1 6.699 0.726 -9.486 1.00 51.20 H new ATOM 0 H2 GLY A 1 5.408 1.598 -8.809 1.00 51.20 H new ATOM 0 H3 GLY A 1 6.279 2.247 -10.115 1.00 51.20 H new ATOM 0 HA2 GLY A 1 8.140 1.677 -8.184 1.00 72.54 H new ATOM 0 HA3 GLY A 1 7.617 3.252 -8.748 1.00 72.54 H new ATOM 8 N PRO A 2 7.459 2.956 -5.986 1.00 0.41 N ATOM 9 CA PRO A 2 6.993 3.253 -4.628 1.00 31.30 C ATOM 10 C PRO A 2 6.181 4.542 -4.562 1.00 73.52 C ATOM 11 O PRO A 2 5.097 4.575 -3.981 1.00 72.31 O ATOM 12 CB PRO A 2 8.292 3.398 -3.831 1.00 33.10 C ATOM 13 CG PRO A 2 9.313 3.797 -4.840 1.00 33.51 C ATOM 14 CD PRO A 2 8.917 3.116 -6.121 1.00 54.20 C ATOM 0 HA PRO A 2 6.327 2.478 -4.247 1.00 31.30 H new ATOM 0 HB2 PRO A 2 8.194 4.150 -3.048 1.00 33.10 H new ATOM 0 HB3 PRO A 2 8.563 2.462 -3.342 1.00 33.10 H new ATOM 0 HG2 PRO A 2 9.336 4.880 -4.965 1.00 33.51 H new ATOM 0 HG3 PRO A 2 10.311 3.491 -4.527 1.00 33.51 H new ATOM 0 HD2 PRO A 2 9.176 3.717 -6.992 1.00 54.20 H new ATOM 0 HD3 PRO A 2 9.418 2.155 -6.237 1.00 54.20 H new ATOM 22 N GLY A 3 6.712 5.602 -5.163 1.00 2.23 N ATOM 23 CA GLY A 3 6.022 6.879 -5.161 1.00 24.03 C ATOM 24 C GLY A 3 5.976 7.511 -3.784 1.00 21.24 C ATOM 25 O GLY A 3 5.100 8.326 -3.496 1.00 74.13 O ATOM 0 H GLY A 3 7.608 5.600 -5.651 1.00 2.23 H new ATOM 0 HA2 GLY A 3 6.520 7.559 -5.853 1.00 24.03 H new ATOM 0 HA3 GLY A 3 5.005 6.740 -5.528 1.00 24.03 H new ATOM 29 N SER A 4 6.921 7.133 -2.929 1.00 22.12 N ATOM 30 CA SER A 4 6.982 7.664 -1.572 1.00 54.00 C ATOM 31 C SER A 4 8.315 8.361 -1.320 1.00 40.34 C ATOM 32 O SER A 4 8.971 8.122 -0.307 1.00 43.13 O ATOM 33 CB SER A 4 6.780 6.541 -0.553 1.00 11.13 C ATOM 34 OG SER A 4 6.809 7.044 0.772 1.00 74.30 O ATOM 0 H SER A 4 7.655 6.461 -3.152 1.00 22.12 H new ATOM 0 HA SER A 4 6.182 8.396 -1.459 1.00 54.00 H new ATOM 0 HB2 SER A 4 5.826 6.046 -0.737 1.00 11.13 H new ATOM 0 HB3 SER A 4 7.559 5.789 -0.677 1.00 11.13 H new ATOM 0 HG SER A 4 7.635 7.553 0.911 1.00 74.30 H new ATOM 40 N MET A 5 8.709 9.225 -2.251 1.00 33.03 N ATOM 41 CA MET A 5 9.963 9.959 -2.130 1.00 23.52 C ATOM 42 C MET A 5 9.851 11.337 -2.774 1.00 24.30 C ATOM 43 O MET A 5 8.832 11.669 -3.379 1.00 33.42 O ATOM 44 CB MET A 5 11.104 9.171 -2.778 1.00 33.03 C ATOM 45 CG MET A 5 11.440 7.879 -2.051 1.00 34.12 C ATOM 46 SD MET A 5 12.245 8.164 -0.463 1.00 15.31 S ATOM 47 CE MET A 5 12.375 6.489 0.157 1.00 73.23 C ATOM 0 H MET A 5 8.178 9.433 -3.097 1.00 33.03 H new ATOM 0 HA MET A 5 10.178 10.090 -1.069 1.00 23.52 H new ATOM 0 HB2 MET A 5 10.835 8.939 -3.808 1.00 33.03 H new ATOM 0 HB3 MET A 5 11.994 9.800 -2.815 1.00 33.03 H new ATOM 0 HG2 MET A 5 10.525 7.307 -1.893 1.00 34.12 H new ATOM 0 HG3 MET A 5 12.091 7.272 -2.680 1.00 34.12 H new ATOM 0 HE1 MET A 5 12.854 6.500 1.136 1.00 73.23 H new ATOM 0 HE2 MET A 5 11.379 6.055 0.245 1.00 73.23 H new ATOM 0 HE3 MET A 5 12.971 5.891 -0.532 1.00 73.23 H new ATOM 57 N ASP A 6 10.905 12.135 -2.640 1.00 30.31 N ATOM 58 CA ASP A 6 10.925 13.477 -3.210 1.00 31.13 C ATOM 59 C ASP A 6 10.555 13.445 -4.689 1.00 70.33 C ATOM 60 O ASP A 6 9.904 14.357 -5.196 1.00 52.02 O ATOM 61 CB ASP A 6 12.306 14.110 -3.030 1.00 73.22 C ATOM 62 CG ASP A 6 12.598 14.462 -1.585 1.00 15.21 C ATOM 63 OD1 ASP A 6 11.812 15.230 -0.991 1.00 35.14 O ATOM 64 OD2 ASP A 6 13.611 13.970 -1.048 1.00 24.24 O ATOM 0 H ASP A 6 11.756 11.876 -2.142 1.00 30.31 H new ATOM 0 HA ASP A 6 10.186 14.080 -2.683 1.00 31.13 H new ATOM 0 HB2 ASP A 6 13.068 13.421 -3.394 1.00 73.22 H new ATOM 0 HB3 ASP A 6 12.372 15.010 -3.641 1.00 73.22 H new ATOM 69 N ASN A 7 10.976 12.388 -5.377 1.00 21.15 N ATOM 70 CA ASN A 7 10.690 12.238 -6.799 1.00 24.42 C ATOM 71 C ASN A 7 9.197 12.388 -7.072 1.00 61.25 C ATOM 72 O ASN A 7 8.792 13.102 -7.990 1.00 4.21 O ATOM 73 CB ASN A 7 11.177 10.875 -7.297 1.00 1.22 C ATOM 74 CG ASN A 7 10.629 10.531 -8.668 1.00 55.32 C ATOM 75 OD1 ASN A 7 11.049 11.098 -9.677 1.00 54.10 O ATOM 76 ND2 ASN A 7 9.684 9.598 -8.711 1.00 5.34 N ATOM 0 H ASN A 7 11.516 11.623 -4.973 1.00 21.15 H new ATOM 0 HA ASN A 7 11.220 13.024 -7.336 1.00 24.42 H new ATOM 0 HB2 ASN A 7 12.266 10.872 -7.333 1.00 1.22 H new ATOM 0 HB3 ASN A 7 10.880 10.104 -6.586 1.00 1.22 H new ATOM 0 HD21 ASN A 7 9.277 9.326 -9.606 1.00 5.34 H new ATOM 0 HD22 ASN A 7 9.366 9.154 -7.849 1.00 5.34 H new ATOM 83 N ASP A 8 8.383 11.710 -6.270 1.00 42.43 N ATOM 84 CA ASP A 8 6.934 11.769 -6.424 1.00 43.43 C ATOM 85 C ASP A 8 6.352 12.940 -5.639 1.00 54.41 C ATOM 86 O ASP A 8 5.134 13.084 -5.534 1.00 1.31 O ATOM 87 CB ASP A 8 6.297 10.459 -5.959 1.00 12.53 C ATOM 88 CG ASP A 8 5.380 9.858 -7.005 1.00 71.34 C ATOM 89 OD1 ASP A 8 5.759 9.855 -8.196 1.00 14.24 O ATOM 90 OD2 ASP A 8 4.284 9.388 -6.634 1.00 51.42 O ATOM 0 H ASP A 8 8.702 11.113 -5.507 1.00 42.43 H new ATOM 0 HA ASP A 8 6.711 11.917 -7.481 1.00 43.43 H new ATOM 0 HB2 ASP A 8 7.082 9.744 -5.714 1.00 12.53 H new ATOM 0 HB3 ASP A 8 5.732 10.638 -5.044 1.00 12.53 H new ATOM 95 N GLU A 9 7.230 13.773 -5.089 1.00 51.22 N ATOM 96 CA GLU A 9 6.801 14.930 -4.312 1.00 4.21 C ATOM 97 C GLU A 9 6.973 16.218 -5.113 1.00 20.40 C ATOM 98 O GLU A 9 6.312 17.221 -4.844 1.00 3.23 O ATOM 99 CB GLU A 9 7.596 15.019 -3.007 1.00 71.42 C ATOM 100 CG GLU A 9 6.838 15.696 -1.878 1.00 31.53 C ATOM 101 CD GLU A 9 7.720 15.997 -0.682 1.00 11.13 C ATOM 102 OE1 GLU A 9 8.311 17.097 -0.644 1.00 24.52 O ATOM 103 OE2 GLU A 9 7.819 15.135 0.216 1.00 62.54 O ATOM 0 H GLU A 9 8.242 13.668 -5.167 1.00 51.22 H new ATOM 0 HA GLU A 9 5.744 14.806 -4.078 1.00 4.21 H new ATOM 0 HB2 GLU A 9 7.877 14.014 -2.693 1.00 71.42 H new ATOM 0 HB3 GLU A 9 8.521 15.565 -3.191 1.00 71.42 H new ATOM 0 HG2 GLU A 9 6.400 16.624 -2.245 1.00 31.53 H new ATOM 0 HG3 GLU A 9 6.013 15.056 -1.565 1.00 31.53 H new ATOM 110 N ILE A 10 7.865 16.180 -6.097 1.00 54.44 N ATOM 111 CA ILE A 10 8.123 17.343 -6.938 1.00 11.02 C ATOM 112 C ILE A 10 6.893 17.710 -7.761 1.00 41.23 C ATOM 113 O ILE A 10 6.407 18.840 -7.701 1.00 32.30 O ATOM 114 CB ILE A 10 9.309 17.098 -7.889 1.00 22.12 C ATOM 115 CG1 ILE A 10 10.573 16.774 -7.090 1.00 21.43 C ATOM 116 CG2 ILE A 10 9.535 18.312 -8.778 1.00 30.32 C ATOM 117 CD1 ILE A 10 11.442 15.718 -7.736 1.00 64.20 C ATOM 0 H ILE A 10 8.421 15.358 -6.332 1.00 54.44 H new ATOM 0 HA ILE A 10 8.369 18.168 -6.269 1.00 11.02 H new ATOM 0 HB ILE A 10 9.075 16.245 -8.525 1.00 22.12 H new ATOM 0 HG12 ILE A 10 11.157 17.686 -6.963 1.00 21.43 H new ATOM 0 HG13 ILE A 10 10.287 16.438 -6.093 1.00 21.43 H new ATOM 0 HG21 ILE A 10 10.377 18.123 -9.444 1.00 30.32 H new ATOM 0 HG22 ILE A 10 8.639 18.502 -9.369 1.00 30.32 H new ATOM 0 HG23 ILE A 10 9.751 19.182 -8.158 1.00 30.32 H new ATOM 0 HD11 ILE A 10 12.320 15.539 -7.115 1.00 64.20 H new ATOM 0 HD12 ILE A 10 10.875 14.793 -7.838 1.00 64.20 H new ATOM 0 HD13 ILE A 10 11.758 16.060 -8.721 1.00 64.20 H new ATOM 129 N PHE A 11 6.393 16.748 -8.530 1.00 24.14 N ATOM 130 CA PHE A 11 5.219 16.969 -9.365 1.00 41.23 C ATOM 131 C PHE A 11 3.963 17.116 -8.511 1.00 4.41 C ATOM 132 O PHE A 11 3.046 17.859 -8.860 1.00 34.40 O ATOM 133 CB PHE A 11 5.045 15.814 -10.353 1.00 72.22 C ATOM 134 CG PHE A 11 4.272 14.655 -9.790 1.00 44.13 C ATOM 135 CD1 PHE A 11 4.831 13.840 -8.819 1.00 72.42 C ATOM 136 CD2 PHE A 11 2.988 14.382 -10.232 1.00 32.23 C ATOM 137 CE1 PHE A 11 4.122 12.772 -8.300 1.00 44.42 C ATOM 138 CE2 PHE A 11 2.274 13.316 -9.716 1.00 44.21 C ATOM 139 CZ PHE A 11 2.842 12.511 -8.748 1.00 42.12 C ATOM 0 H PHE A 11 6.783 15.808 -8.592 1.00 24.14 H new ATOM 0 HA PHE A 11 5.369 17.894 -9.921 1.00 41.23 H new ATOM 0 HB2 PHE A 11 4.536 16.182 -11.244 1.00 72.22 H new ATOM 0 HB3 PHE A 11 6.028 15.465 -10.669 1.00 72.22 H new ATOM 0 HD1 PHE A 11 5.831 14.041 -8.464 1.00 72.42 H new ATOM 0 HD2 PHE A 11 2.539 15.009 -10.988 1.00 32.23 H new ATOM 0 HE1 PHE A 11 4.569 12.142 -7.545 1.00 44.42 H new ATOM 0 HE2 PHE A 11 1.274 13.113 -10.069 1.00 44.21 H new ATOM 0 HZ PHE A 11 2.286 11.679 -8.342 1.00 42.12 H new ATOM 149 N SER A 12 3.931 16.403 -7.390 1.00 12.13 N ATOM 150 CA SER A 12 2.787 16.450 -6.487 1.00 12.22 C ATOM 151 C SER A 12 2.699 17.805 -5.791 1.00 25.03 C ATOM 152 O SER A 12 1.621 18.386 -5.670 1.00 51.31 O ATOM 153 CB SER A 12 2.886 15.334 -5.445 1.00 42.20 C ATOM 154 OG SER A 12 2.776 14.059 -6.052 1.00 73.51 O ATOM 0 H SER A 12 4.684 15.786 -7.085 1.00 12.13 H new ATOM 0 HA SER A 12 1.883 16.306 -7.079 1.00 12.22 H new ATOM 0 HB2 SER A 12 3.837 15.408 -4.917 1.00 42.20 H new ATOM 0 HB3 SER A 12 2.098 15.455 -4.701 1.00 42.20 H new ATOM 0 HG SER A 12 3.619 13.836 -6.500 1.00 73.51 H new ATOM 160 N LYS A 13 3.843 18.303 -5.333 1.00 64.24 N ATOM 161 CA LYS A 13 3.899 19.589 -4.650 1.00 5.51 C ATOM 162 C LYS A 13 3.575 20.730 -5.609 1.00 61.05 C ATOM 163 O LYS A 13 2.780 21.615 -5.292 1.00 71.51 O ATOM 164 CB LYS A 13 5.285 19.804 -4.036 1.00 13.03 C ATOM 165 CG LYS A 13 5.384 21.055 -3.180 1.00 53.34 C ATOM 166 CD LYS A 13 4.811 20.828 -1.791 1.00 65.13 C ATOM 167 CE LYS A 13 5.772 20.039 -0.915 1.00 63.10 C ATOM 168 NZ LYS A 13 5.078 19.411 0.243 1.00 3.14 N ATOM 0 H LYS A 13 4.744 17.834 -5.423 1.00 64.24 H new ATOM 0 HA LYS A 13 3.153 19.582 -3.856 1.00 5.51 H new ATOM 0 HB2 LYS A 13 5.542 18.937 -3.428 1.00 13.03 H new ATOM 0 HB3 LYS A 13 6.023 19.862 -4.836 1.00 13.03 H new ATOM 0 HG2 LYS A 13 6.427 21.359 -3.099 1.00 53.34 H new ATOM 0 HG3 LYS A 13 4.850 21.872 -3.665 1.00 53.34 H new ATOM 0 HD2 LYS A 13 4.596 21.789 -1.323 1.00 65.13 H new ATOM 0 HD3 LYS A 13 3.865 20.292 -1.869 1.00 65.13 H new ATOM 0 HE2 LYS A 13 6.256 19.266 -1.512 1.00 63.10 H new ATOM 0 HE3 LYS A 13 6.559 20.700 -0.552 1.00 63.10 H new ATOM 0 HZ1 LYS A 13 5.767 18.882 0.816 1.00 3.14 H new ATOM 0 HZ2 LYS A 13 4.638 20.151 0.827 1.00 3.14 H new ATOM 0 HZ3 LYS A 13 4.344 18.761 -0.103 1.00 3.14 H new ATOM 182 N VAL A 14 4.195 20.703 -6.785 1.00 72.42 N ATOM 183 CA VAL A 14 3.970 21.733 -7.792 1.00 72.32 C ATOM 184 C VAL A 14 2.537 21.689 -8.312 1.00 44.14 C ATOM 185 O VAL A 14 1.930 22.727 -8.576 1.00 43.14 O ATOM 186 CB VAL A 14 4.940 21.579 -8.979 1.00 1.35 C ATOM 187 CG1 VAL A 14 4.656 22.631 -10.040 1.00 5.21 C ATOM 188 CG2 VAL A 14 6.382 21.666 -8.502 1.00 10.44 C ATOM 0 H VAL A 14 4.857 19.979 -7.063 1.00 72.42 H new ATOM 0 HA VAL A 14 4.149 22.693 -7.308 1.00 72.32 H new ATOM 0 HB VAL A 14 4.788 20.597 -9.426 1.00 1.35 H new ATOM 0 HG11 VAL A 14 5.351 22.507 -10.871 1.00 5.21 H new ATOM 0 HG12 VAL A 14 3.634 22.517 -10.401 1.00 5.21 H new ATOM 0 HG13 VAL A 14 4.779 23.625 -9.609 1.00 5.21 H new ATOM 0 HG21 VAL A 14 7.054 21.555 -9.353 1.00 10.44 H new ATOM 0 HG22 VAL A 14 6.551 22.634 -8.030 1.00 10.44 H new ATOM 0 HG23 VAL A 14 6.575 20.872 -7.781 1.00 10.44 H new ATOM 198 N ARG A 15 2.003 20.481 -8.457 1.00 13.11 N ATOM 199 CA ARG A 15 0.641 20.302 -8.946 1.00 61.23 C ATOM 200 C ARG A 15 -0.374 20.818 -7.931 1.00 30.13 C ATOM 201 O ARG A 15 -1.343 21.486 -8.291 1.00 71.13 O ATOM 202 CB ARG A 15 0.374 18.825 -9.245 1.00 41.52 C ATOM 203 CG ARG A 15 -0.992 18.566 -9.858 1.00 71.44 C ATOM 204 CD ARG A 15 -1.032 18.972 -11.323 1.00 43.32 C ATOM 205 NE ARG A 15 0.087 18.413 -12.077 1.00 71.40 N ATOM 206 CZ ARG A 15 0.401 18.786 -13.313 1.00 14.24 C ATOM 207 NH1 ARG A 15 -0.316 19.715 -13.930 1.00 12.20 N ATOM 208 NH2 ARG A 15 1.433 18.230 -13.933 1.00 45.40 N ATOM 0 H ARG A 15 2.492 19.612 -8.243 1.00 13.11 H new ATOM 0 HA ARG A 15 0.533 20.877 -9.865 1.00 61.23 H new ATOM 0 HB2 ARG A 15 1.143 18.455 -9.923 1.00 41.52 H new ATOM 0 HB3 ARG A 15 0.462 18.254 -8.321 1.00 41.52 H new ATOM 0 HG2 ARG A 15 -1.239 17.508 -9.766 1.00 71.44 H new ATOM 0 HG3 ARG A 15 -1.751 19.120 -9.305 1.00 71.44 H new ATOM 0 HD2 ARG A 15 -1.970 18.638 -11.766 1.00 43.32 H new ATOM 0 HD3 ARG A 15 -1.013 20.059 -11.398 1.00 43.32 H new ATOM 0 HE ARG A 15 0.659 17.697 -11.630 1.00 71.40 H new ATOM 0 HH11 ARG A 15 -1.110 20.145 -13.456 1.00 12.20 H new ATOM 0 HH12 ARG A 15 -0.073 20.000 -14.879 1.00 12.20 H new ATOM 0 HH21 ARG A 15 1.987 17.515 -13.461 1.00 45.40 H new ATOM 0 HH22 ARG A 15 1.673 18.517 -14.882 1.00 45.40 H new ATOM 222 N SER A 16 -0.145 20.503 -6.660 1.00 23.11 N ATOM 223 CA SER A 16 -1.041 20.931 -5.593 1.00 32.15 C ATOM 224 C SER A 16 -1.253 22.441 -5.634 1.00 12.20 C ATOM 225 O SER A 16 -2.272 22.949 -5.165 1.00 74.20 O ATOM 226 CB SER A 16 -0.479 20.521 -4.230 1.00 62.42 C ATOM 227 OG SER A 16 -1.243 21.077 -3.174 1.00 73.34 O ATOM 0 H SER A 16 0.654 19.953 -6.344 1.00 23.11 H new ATOM 0 HA SER A 16 -2.003 20.442 -5.743 1.00 32.15 H new ATOM 0 HB2 SER A 16 -0.475 19.434 -4.147 1.00 62.42 H new ATOM 0 HB3 SER A 16 0.557 20.851 -4.146 1.00 62.42 H new ATOM 0 HG SER A 16 -0.864 20.799 -2.314 1.00 73.34 H new ATOM 233 N ILE A 17 -0.284 23.153 -6.198 1.00 44.03 N ATOM 234 CA ILE A 17 -0.364 24.605 -6.302 1.00 63.33 C ATOM 235 C ILE A 17 -1.475 25.027 -7.257 1.00 73.10 C ATOM 236 O ILE A 17 -2.355 25.808 -6.894 1.00 74.02 O ATOM 237 CB ILE A 17 0.968 25.209 -6.784 1.00 44.01 C ATOM 238 CG1 ILE A 17 2.098 24.844 -5.819 1.00 11.25 C ATOM 239 CG2 ILE A 17 0.847 26.719 -6.919 1.00 52.50 C ATOM 240 CD1 ILE A 17 3.474 25.198 -6.337 1.00 41.30 C ATOM 0 H ILE A 17 0.566 22.748 -6.590 1.00 44.03 H new ATOM 0 HA ILE A 17 -0.584 24.981 -5.303 1.00 63.33 H new ATOM 0 HB ILE A 17 1.204 24.794 -7.764 1.00 44.01 H new ATOM 0 HG12 ILE A 17 1.934 25.355 -4.870 1.00 11.25 H new ATOM 0 HG13 ILE A 17 2.060 23.774 -5.616 1.00 11.25 H new ATOM 0 HG21 ILE A 17 1.797 27.131 -7.260 1.00 52.50 H new ATOM 0 HG22 ILE A 17 0.067 26.958 -7.642 1.00 52.50 H new ATOM 0 HG23 ILE A 17 0.591 27.151 -5.952 1.00 52.50 H new ATOM 0 HD11 ILE A 17 4.225 24.911 -5.601 1.00 41.30 H new ATOM 0 HD12 ILE A 17 3.659 24.667 -7.271 1.00 41.30 H new ATOM 0 HD13 ILE A 17 3.531 26.272 -6.513 1.00 41.30 H new ATOM 252 N ILE A 18 -1.430 24.504 -8.478 1.00 4.03 N ATOM 253 CA ILE A 18 -2.435 24.824 -9.484 1.00 4.54 C ATOM 254 C ILE A 18 -3.738 24.081 -9.214 1.00 55.03 C ATOM 255 O ILE A 18 -4.820 24.560 -9.554 1.00 50.45 O ATOM 256 CB ILE A 18 -1.943 24.478 -10.901 1.00 44.13 C ATOM 257 CG1 ILE A 18 -1.668 22.977 -11.017 1.00 54.30 C ATOM 258 CG2 ILE A 18 -0.693 25.278 -11.238 1.00 71.14 C ATOM 259 CD1 ILE A 18 -1.244 22.546 -12.403 1.00 60.33 C ATOM 0 H ILE A 18 -0.708 23.857 -8.794 1.00 4.03 H new ATOM 0 HA ILE A 18 -2.613 25.898 -9.423 1.00 4.54 H new ATOM 0 HB ILE A 18 -2.723 24.742 -11.615 1.00 44.13 H new ATOM 0 HG12 ILE A 18 -0.889 22.703 -10.306 1.00 54.30 H new ATOM 0 HG13 ILE A 18 -2.566 22.428 -10.734 1.00 54.30 H new ATOM 0 HG21 ILE A 18 -0.357 25.022 -12.243 1.00 71.14 H new ATOM 0 HG22 ILE A 18 -0.919 26.343 -11.191 1.00 71.14 H new ATOM 0 HG23 ILE A 18 0.094 25.042 -10.522 1.00 71.14 H new ATOM 0 HD11 ILE A 18 -1.066 21.471 -12.411 1.00 60.33 H new ATOM 0 HD12 ILE A 18 -2.031 22.789 -13.116 1.00 60.33 H new ATOM 0 HD13 ILE A 18 -0.328 23.067 -12.682 1.00 60.33 H new ATOM 271 N SER A 19 -3.628 22.908 -8.599 1.00 72.35 N ATOM 272 CA SER A 19 -4.798 22.096 -8.286 1.00 14.24 C ATOM 273 C SER A 19 -5.866 22.931 -7.584 1.00 60.35 C ATOM 274 O SER A 19 -7.060 22.666 -7.716 1.00 34.13 O ATOM 275 CB SER A 19 -4.401 20.910 -7.404 1.00 54.43 C ATOM 276 OG SER A 19 -5.364 19.873 -7.481 1.00 11.32 O ATOM 0 H SER A 19 -2.740 22.499 -8.308 1.00 72.35 H new ATOM 0 HA SER A 19 -5.211 21.721 -9.223 1.00 14.24 H new ATOM 0 HB2 SER A 19 -3.428 20.531 -7.715 1.00 54.43 H new ATOM 0 HB3 SER A 19 -4.299 21.240 -6.370 1.00 54.43 H new ATOM 0 HG SER A 19 -5.609 19.723 -8.418 1.00 11.32 H new ATOM 282 N GLU A 20 -5.425 23.940 -6.840 1.00 21.43 N ATOM 283 CA GLU A 20 -6.342 24.813 -6.117 1.00 34.42 C ATOM 284 C GLU A 20 -7.198 25.624 -7.085 1.00 51.13 C ATOM 285 O GLU A 20 -8.398 25.795 -6.875 1.00 35.14 O ATOM 286 CB GLU A 20 -5.565 25.754 -5.194 1.00 34.21 C ATOM 287 CG GLU A 20 -6.397 26.308 -4.050 1.00 13.04 C ATOM 288 CD GLU A 20 -6.748 25.253 -3.019 1.00 25.25 C ATOM 289 OE1 GLU A 20 -6.423 24.069 -3.246 1.00 65.14 O ATOM 290 OE2 GLU A 20 -7.347 25.612 -1.983 1.00 62.32 O ATOM 0 H GLU A 20 -4.439 24.173 -6.722 1.00 21.43 H new ATOM 0 HA GLU A 20 -7.000 24.187 -5.514 1.00 34.42 H new ATOM 0 HB2 GLU A 20 -4.708 25.221 -4.784 1.00 34.21 H new ATOM 0 HB3 GLU A 20 -5.173 26.584 -5.782 1.00 34.21 H new ATOM 0 HG2 GLU A 20 -5.849 27.116 -3.565 1.00 13.04 H new ATOM 0 HG3 GLU A 20 -7.315 26.740 -4.449 1.00 13.04 H new ATOM 297 N GLN A 21 -6.571 26.122 -8.146 1.00 64.51 N ATOM 298 CA GLN A 21 -7.274 26.916 -9.146 1.00 60.01 C ATOM 299 C GLN A 21 -7.941 26.019 -10.183 1.00 74.31 C ATOM 300 O GLN A 21 -9.141 26.133 -10.438 1.00 71.32 O ATOM 301 CB GLN A 21 -6.306 27.880 -9.835 1.00 74.33 C ATOM 302 CG GLN A 21 -6.978 28.802 -10.840 1.00 35.40 C ATOM 303 CD GLN A 21 -7.941 29.773 -10.187 1.00 54.50 C ATOM 304 OE1 GLN A 21 -7.647 30.346 -9.137 1.00 73.12 O ATOM 305 NE2 GLN A 21 -9.100 29.965 -10.807 1.00 11.54 N ATOM 0 H GLN A 21 -5.577 25.989 -8.335 1.00 64.51 H new ATOM 0 HA GLN A 21 -8.048 27.491 -8.638 1.00 60.01 H new ATOM 0 HB2 GLN A 21 -5.807 28.484 -9.077 1.00 74.33 H new ATOM 0 HB3 GLN A 21 -5.533 27.304 -10.343 1.00 74.33 H new ATOM 0 HG2 GLN A 21 -6.215 29.361 -11.381 1.00 35.40 H new ATOM 0 HG3 GLN A 21 -7.515 28.202 -11.575 1.00 35.40 H new ATOM 0 HE21 GLN A 21 -9.302 29.469 -11.675 1.00 11.54 H new ATOM 0 HE22 GLN A 21 -9.788 30.608 -10.415 1.00 11.54 H new ATOM 314 N LEU A 22 -7.157 25.127 -10.779 1.00 35.24 N ATOM 315 CA LEU A 22 -7.672 24.209 -11.789 1.00 55.31 C ATOM 316 C LEU A 22 -8.727 23.281 -11.195 1.00 22.22 C ATOM 317 O LEU A 22 -9.664 22.871 -11.879 1.00 55.34 O ATOM 318 CB LEU A 22 -6.531 23.386 -12.388 1.00 42.01 C ATOM 319 CG LEU A 22 -5.764 24.039 -13.539 1.00 13.12 C ATOM 320 CD1 LEU A 22 -5.225 25.397 -13.118 1.00 52.41 C ATOM 321 CD2 LEU A 22 -4.633 23.136 -14.006 1.00 64.44 C ATOM 0 H LEU A 22 -6.162 25.020 -10.580 1.00 35.24 H new ATOM 0 HA LEU A 22 -8.138 24.800 -12.577 1.00 55.31 H new ATOM 0 HB2 LEU A 22 -5.823 23.151 -11.593 1.00 42.01 H new ATOM 0 HB3 LEU A 22 -6.939 22.439 -12.741 1.00 42.01 H new ATOM 0 HG LEU A 22 -6.452 24.186 -14.372 1.00 13.12 H new ATOM 0 HD11 LEU A 22 -4.682 25.847 -13.949 1.00 52.41 H new ATOM 0 HD12 LEU A 22 -6.054 26.045 -12.833 1.00 52.41 H new ATOM 0 HD13 LEU A 22 -4.552 25.274 -12.269 1.00 52.41 H new ATOM 0 HD21 LEU A 22 -4.098 23.617 -14.825 1.00 64.44 H new ATOM 0 HD22 LEU A 22 -3.945 22.957 -13.179 1.00 64.44 H new ATOM 0 HD23 LEU A 22 -5.044 22.186 -14.349 1.00 64.44 H new ATOM 333 N ASP A 23 -8.567 22.955 -9.917 1.00 74.50 N ATOM 334 CA ASP A 23 -9.507 22.077 -9.229 1.00 53.10 C ATOM 335 C ASP A 23 -9.570 20.711 -9.905 1.00 51.01 C ATOM 336 O ASP A 23 -10.637 20.105 -10.007 1.00 40.14 O ATOM 337 CB ASP A 23 -10.900 22.709 -9.199 1.00 3.43 C ATOM 338 CG ASP A 23 -10.888 24.107 -8.610 1.00 73.43 C ATOM 339 OD1 ASP A 23 -10.457 24.257 -7.448 1.00 72.02 O ATOM 340 OD2 ASP A 23 -11.311 25.050 -9.312 1.00 34.53 O ATOM 0 H ASP A 23 -7.796 23.285 -9.337 1.00 74.50 H new ATOM 0 HA ASP A 23 -9.156 21.940 -8.206 1.00 53.10 H new ATOM 0 HB2 ASP A 23 -11.300 22.748 -10.212 1.00 3.43 H new ATOM 0 HB3 ASP A 23 -11.570 22.078 -8.616 1.00 3.43 H new ATOM 345 N LYS A 24 -8.420 20.232 -10.367 1.00 30.44 N ATOM 346 CA LYS A 24 -8.343 18.937 -11.033 1.00 44.23 C ATOM 347 C LYS A 24 -7.496 17.959 -10.225 1.00 70.13 C ATOM 348 O LYS A 24 -7.061 18.268 -9.116 1.00 25.42 O ATOM 349 CB LYS A 24 -7.755 19.098 -12.437 1.00 71.22 C ATOM 350 CG LYS A 24 -8.471 20.138 -13.281 1.00 0.43 C ATOM 351 CD LYS A 24 -7.849 20.260 -14.662 1.00 14.31 C ATOM 352 CE LYS A 24 -8.501 19.307 -15.652 1.00 43.23 C ATOM 353 NZ LYS A 24 -9.840 19.790 -16.088 1.00 13.21 N ATOM 0 H LYS A 24 -7.528 20.721 -10.292 1.00 30.44 H new ATOM 0 HA LYS A 24 -9.353 18.536 -11.112 1.00 44.23 H new ATOM 0 HB2 LYS A 24 -6.704 19.373 -12.352 1.00 71.22 H new ATOM 0 HB3 LYS A 24 -7.793 18.137 -12.950 1.00 71.22 H new ATOM 0 HG2 LYS A 24 -9.523 19.868 -13.377 1.00 0.43 H new ATOM 0 HG3 LYS A 24 -8.434 21.104 -12.778 1.00 0.43 H new ATOM 0 HD2 LYS A 24 -7.952 21.285 -15.020 1.00 14.31 H new ATOM 0 HD3 LYS A 24 -6.781 20.049 -14.601 1.00 14.31 H new ATOM 0 HE2 LYS A 24 -7.856 19.191 -16.523 1.00 43.23 H new ATOM 0 HE3 LYS A 24 -8.601 18.322 -15.196 1.00 43.23 H new ATOM 0 HZ1 LYS A 24 -10.177 19.209 -16.882 1.00 13.21 H new ATOM 0 HZ2 LYS A 24 -10.510 19.716 -15.296 1.00 13.21 H new ATOM 0 HZ3 LYS A 24 -9.769 20.783 -16.391 1.00 13.21 H new ATOM 367 N LYS A 25 -7.265 16.778 -10.789 1.00 1.01 N ATOM 368 CA LYS A 25 -6.468 15.755 -10.123 1.00 20.41 C ATOM 369 C LYS A 25 -5.070 15.675 -10.727 1.00 5.52 C ATOM 370 O LYS A 25 -4.887 15.901 -11.923 1.00 1.25 O ATOM 371 CB LYS A 25 -7.158 14.393 -10.228 1.00 73.20 C ATOM 372 CG LYS A 25 -7.389 13.937 -11.658 1.00 74.13 C ATOM 373 CD LYS A 25 -8.756 14.365 -12.166 1.00 42.43 C ATOM 374 CE LYS A 25 -9.805 13.292 -11.917 1.00 44.34 C ATOM 375 NZ LYS A 25 -9.485 12.027 -12.635 1.00 3.14 N ATOM 0 H LYS A 25 -7.619 16.506 -11.706 1.00 1.01 H new ATOM 0 HA LYS A 25 -6.376 16.029 -9.072 1.00 20.41 H new ATOM 0 HB2 LYS A 25 -6.553 13.648 -9.711 1.00 73.20 H new ATOM 0 HB3 LYS A 25 -8.117 14.440 -9.711 1.00 73.20 H new ATOM 0 HG2 LYS A 25 -6.614 14.352 -12.303 1.00 74.13 H new ATOM 0 HG3 LYS A 25 -7.303 12.852 -11.713 1.00 74.13 H new ATOM 0 HD2 LYS A 25 -9.056 15.289 -11.672 1.00 42.43 H new ATOM 0 HD3 LYS A 25 -8.698 14.578 -13.233 1.00 42.43 H new ATOM 0 HE2 LYS A 25 -9.876 13.095 -10.847 1.00 44.34 H new ATOM 0 HE3 LYS A 25 -10.781 13.656 -12.239 1.00 44.34 H new ATOM 0 HZ1 LYS A 25 -10.367 11.525 -12.863 1.00 3.14 H new ATOM 0 HZ2 LYS A 25 -8.974 12.246 -13.514 1.00 3.14 H new ATOM 0 HZ3 LYS A 25 -8.890 11.425 -12.030 1.00 3.14 H new ATOM 389 N GLU A 26 -4.087 15.352 -9.892 1.00 43.31 N ATOM 390 CA GLU A 26 -2.705 15.243 -10.346 1.00 31.04 C ATOM 391 C GLU A 26 -2.542 14.079 -11.319 1.00 34.23 C ATOM 392 O GLU A 26 -1.548 13.993 -12.040 1.00 31.35 O ATOM 393 CB GLU A 26 -1.766 15.059 -9.152 1.00 11.04 C ATOM 394 CG GLU A 26 -2.107 13.856 -8.289 1.00 33.14 C ATOM 395 CD GLU A 26 -3.011 14.211 -7.124 1.00 3.14 C ATOM 396 OE1 GLU A 26 -3.471 15.370 -7.061 1.00 3.13 O ATOM 397 OE2 GLU A 26 -3.258 13.329 -6.275 1.00 24.22 O ATOM 0 H GLU A 26 -4.222 15.161 -8.899 1.00 43.31 H new ATOM 0 HA GLU A 26 -2.446 16.166 -10.864 1.00 31.04 H new ATOM 0 HB2 GLU A 26 -0.744 14.956 -9.517 1.00 11.04 H new ATOM 0 HB3 GLU A 26 -1.795 15.958 -8.536 1.00 11.04 H new ATOM 0 HG2 GLU A 26 -2.593 13.099 -8.904 1.00 33.14 H new ATOM 0 HG3 GLU A 26 -1.186 13.414 -7.908 1.00 33.14 H new ATOM 404 N ASP A 27 -3.526 13.186 -11.333 1.00 25.43 N ATOM 405 CA ASP A 27 -3.493 12.026 -12.217 1.00 2.31 C ATOM 406 C ASP A 27 -4.011 12.387 -13.606 1.00 4.43 C ATOM 407 O ASP A 27 -4.255 11.511 -14.434 1.00 64.02 O ATOM 408 CB ASP A 27 -4.326 10.886 -11.629 1.00 43.10 C ATOM 409 CG ASP A 27 -3.623 10.187 -10.482 1.00 4.41 C ATOM 410 OD1 ASP A 27 -2.663 9.434 -10.746 1.00 21.52 O ATOM 411 OD2 ASP A 27 -4.033 10.394 -9.320 1.00 63.23 O ATOM 0 H ASP A 27 -4.356 13.243 -10.743 1.00 25.43 H new ATOM 0 HA ASP A 27 -2.457 11.699 -12.308 1.00 2.31 H new ATOM 0 HB2 ASP A 27 -5.281 11.280 -11.280 1.00 43.10 H new ATOM 0 HB3 ASP A 27 -4.547 10.161 -12.412 1.00 43.10 H new ATOM 416 N GLU A 28 -4.177 13.683 -13.851 1.00 44.35 N ATOM 417 CA GLU A 28 -4.667 14.159 -15.140 1.00 14.05 C ATOM 418 C GLU A 28 -3.575 14.078 -16.202 1.00 21.12 C ATOM 419 O GLU A 28 -3.816 14.354 -17.377 1.00 71.54 O ATOM 420 CB GLU A 28 -5.170 15.599 -15.018 1.00 52.14 C ATOM 421 CG GLU A 28 -6.663 15.702 -14.753 1.00 42.32 C ATOM 422 CD GLU A 28 -7.475 15.821 -16.028 1.00 70.32 C ATOM 423 OE1 GLU A 28 -7.001 16.485 -16.973 1.00 43.15 O ATOM 424 OE2 GLU A 28 -8.584 15.250 -16.081 1.00 32.21 O ATOM 0 H GLU A 28 -3.980 14.421 -13.175 1.00 44.35 H new ATOM 0 HA GLU A 28 -5.493 13.517 -15.445 1.00 14.05 H new ATOM 0 HB2 GLU A 28 -4.631 16.096 -14.211 1.00 52.14 H new ATOM 0 HB3 GLU A 28 -4.935 16.136 -15.937 1.00 52.14 H new ATOM 0 HG2 GLU A 28 -6.991 14.823 -14.198 1.00 42.32 H new ATOM 0 HG3 GLU A 28 -6.857 16.569 -14.121 1.00 42.32 H new ATOM 431 N ILE A 29 -2.374 13.698 -15.779 1.00 2.52 N ATOM 432 CA ILE A 29 -1.245 13.581 -16.693 1.00 24.51 C ATOM 433 C ILE A 29 -1.615 12.757 -17.921 1.00 75.43 C ATOM 434 O ILE A 29 -1.874 11.557 -17.824 1.00 31.55 O ATOM 435 CB ILE A 29 -0.028 12.935 -16.004 1.00 43.11 C ATOM 436 CG1 ILE A 29 0.421 13.784 -14.813 1.00 44.21 C ATOM 437 CG2 ILE A 29 1.112 12.761 -16.997 1.00 30.42 C ATOM 438 CD1 ILE A 29 0.842 15.186 -15.195 1.00 2.11 C ATOM 0 H ILE A 29 -2.158 13.466 -14.809 1.00 2.52 H new ATOM 0 HA ILE A 29 -0.983 14.593 -17.002 1.00 24.51 H new ATOM 0 HB ILE A 29 -0.317 11.951 -15.636 1.00 43.11 H new ATOM 0 HG12 ILE A 29 -0.393 13.842 -14.091 1.00 44.21 H new ATOM 0 HG13 ILE A 29 1.253 13.286 -14.316 1.00 44.21 H new ATOM 0 HG21 ILE A 29 1.965 12.303 -16.495 1.00 30.42 H new ATOM 0 HG22 ILE A 29 0.786 12.120 -17.816 1.00 30.42 H new ATOM 0 HG23 ILE A 29 1.403 13.735 -17.391 1.00 30.42 H new ATOM 0 HD11 ILE A 29 1.148 15.730 -14.301 1.00 2.11 H new ATOM 0 HD12 ILE A 29 1.677 15.137 -15.894 1.00 2.11 H new ATOM 0 HD13 ILE A 29 0.005 15.702 -15.665 1.00 2.11 H new ATOM 450 N THR A 30 -1.638 13.409 -19.080 1.00 32.42 N ATOM 451 CA THR A 30 -1.976 12.737 -20.328 1.00 54.02 C ATOM 452 C THR A 30 -1.598 13.592 -21.532 1.00 72.13 C ATOM 453 O THR A 30 -1.430 14.806 -21.417 1.00 53.52 O ATOM 454 CB THR A 30 -3.479 12.407 -20.399 1.00 73.22 C ATOM 455 OG1 THR A 30 -3.795 11.831 -21.672 1.00 23.34 O ATOM 456 CG2 THR A 30 -4.319 13.656 -20.180 1.00 42.34 C ATOM 0 H THR A 30 -1.426 14.402 -19.180 1.00 32.42 H new ATOM 0 HA THR A 30 -1.406 11.808 -20.352 1.00 54.02 H new ATOM 0 HB THR A 30 -3.708 11.691 -19.610 1.00 73.22 H new ATOM 0 HG1 THR A 30 -4.752 11.623 -21.708 1.00 23.34 H new ATOM 0 HG21 THR A 30 -5.376 13.397 -20.235 1.00 42.34 H new ATOM 0 HG22 THR A 30 -4.098 14.075 -19.198 1.00 42.34 H new ATOM 0 HG23 THR A 30 -4.085 14.391 -20.950 1.00 42.34 H new ATOM 464 N THR A 31 -1.466 12.951 -22.689 1.00 63.44 N ATOM 465 CA THR A 31 -1.107 13.652 -23.915 1.00 42.33 C ATOM 466 C THR A 31 -2.319 14.345 -24.528 1.00 20.24 C ATOM 467 O THR A 31 -2.189 15.126 -25.470 1.00 72.12 O ATOM 468 CB THR A 31 -0.499 12.692 -24.955 1.00 20.10 C ATOM 469 OG1 THR A 31 -1.521 11.852 -25.503 1.00 33.04 O ATOM 470 CG2 THR A 31 0.588 11.833 -24.327 1.00 62.44 C ATOM 0 H THR A 31 -1.603 11.947 -22.802 1.00 63.44 H new ATOM 0 HA THR A 31 -0.362 14.400 -23.643 1.00 42.33 H new ATOM 0 HB THR A 31 -0.054 13.288 -25.752 1.00 20.10 H new ATOM 0 HG1 THR A 31 -1.127 11.246 -26.164 1.00 33.04 H new ATOM 0 HG21 THR A 31 1.003 11.163 -25.080 1.00 62.44 H new ATOM 0 HG22 THR A 31 1.378 12.474 -23.937 1.00 62.44 H new ATOM 0 HG23 THR A 31 0.163 11.245 -23.513 1.00 62.44 H new ATOM 478 N ASP A 32 -3.497 14.054 -23.986 1.00 5.23 N ATOM 479 CA ASP A 32 -4.733 14.651 -24.478 1.00 62.10 C ATOM 480 C ASP A 32 -5.126 15.859 -23.634 1.00 55.33 C ATOM 481 O ASP A 32 -6.275 16.300 -23.662 1.00 53.50 O ATOM 482 CB ASP A 32 -5.861 13.618 -24.470 1.00 10.30 C ATOM 483 CG ASP A 32 -6.956 13.950 -25.464 1.00 75.12 C ATOM 484 OD1 ASP A 32 -6.855 13.507 -26.627 1.00 54.12 O ATOM 485 OD2 ASP A 32 -7.914 14.653 -25.079 1.00 54.15 O ATOM 0 H ASP A 32 -3.622 13.409 -23.206 1.00 5.23 H new ATOM 0 HA ASP A 32 -4.564 14.985 -25.502 1.00 62.10 H new ATOM 0 HB2 ASP A 32 -5.451 12.635 -24.700 1.00 10.30 H new ATOM 0 HB3 ASP A 32 -6.288 13.559 -23.469 1.00 10.30 H new ATOM 490 N SER A 33 -4.166 16.389 -22.884 1.00 44.43 N ATOM 491 CA SER A 33 -4.413 17.544 -22.028 1.00 71.15 C ATOM 492 C SER A 33 -3.617 18.755 -22.506 1.00 74.23 C ATOM 493 O SER A 33 -4.172 19.834 -22.712 1.00 15.34 O ATOM 494 CB SER A 33 -4.047 17.219 -20.579 1.00 72.40 C ATOM 495 OG SER A 33 -5.121 16.576 -19.914 1.00 11.42 O ATOM 0 H SER A 33 -3.209 16.037 -22.851 1.00 44.43 H new ATOM 0 HA SER A 33 -5.475 17.785 -22.082 1.00 71.15 H new ATOM 0 HB2 SER A 33 -3.166 16.578 -20.558 1.00 72.40 H new ATOM 0 HB3 SER A 33 -3.786 18.137 -20.052 1.00 72.40 H new ATOM 0 HG SER A 33 -4.862 16.377 -18.990 1.00 11.42 H new ATOM 501 N ARG A 34 -2.313 18.567 -22.681 1.00 75.52 N ATOM 502 CA ARG A 34 -1.440 19.643 -23.133 1.00 71.35 C ATOM 503 C ARG A 34 -1.396 20.773 -22.110 1.00 3.42 C ATOM 504 O ARG A 34 -1.961 20.663 -21.022 1.00 32.42 O ATOM 505 CB ARG A 34 -1.916 20.181 -24.484 1.00 12.22 C ATOM 506 CG ARG A 34 -2.109 19.102 -25.536 1.00 75.42 C ATOM 507 CD ARG A 34 -2.315 19.701 -26.918 1.00 40.54 C ATOM 508 NE ARG A 34 -1.048 20.010 -27.575 1.00 65.32 N ATOM 509 CZ ARG A 34 -0.935 20.258 -28.875 1.00 61.23 C ATOM 510 NH1 ARG A 34 -2.008 20.234 -29.654 1.00 11.55 N ATOM 511 NH2 ARG A 34 0.253 20.530 -29.399 1.00 43.54 N ATOM 0 H ARG A 34 -1.838 17.679 -22.517 1.00 75.52 H new ATOM 0 HA ARG A 34 -0.434 19.238 -23.245 1.00 71.35 H new ATOM 0 HB2 ARG A 34 -2.858 20.711 -24.343 1.00 12.22 H new ATOM 0 HB3 ARG A 34 -1.192 20.909 -24.851 1.00 12.22 H new ATOM 0 HG2 ARG A 34 -1.239 18.445 -25.549 1.00 75.42 H new ATOM 0 HG3 ARG A 34 -2.969 18.486 -25.273 1.00 75.42 H new ATOM 0 HD2 ARG A 34 -2.882 19.004 -27.534 1.00 40.54 H new ATOM 0 HD3 ARG A 34 -2.911 20.610 -26.834 1.00 40.54 H new ATOM 0 HE ARG A 34 -0.203 20.037 -27.004 1.00 65.32 H new ATOM 0 HH11 ARG A 34 -2.923 20.025 -29.255 1.00 11.55 H new ATOM 0 HH12 ARG A 34 -1.918 20.425 -30.652 1.00 11.55 H new ATOM 0 HH21 ARG A 34 1.081 20.549 -28.803 1.00 43.54 H new ATOM 0 HH22 ARG A 34 0.339 20.720 -30.397 1.00 43.54 H new ATOM 525 N PHE A 35 -0.720 21.861 -22.466 1.00 24.32 N ATOM 526 CA PHE A 35 -0.600 23.011 -21.578 1.00 42.30 C ATOM 527 C PHE A 35 -1.939 23.728 -21.433 1.00 51.11 C ATOM 528 O PHE A 35 -2.190 24.403 -20.434 1.00 71.24 O ATOM 529 CB PHE A 35 0.457 23.983 -22.108 1.00 12.14 C ATOM 530 CG PHE A 35 1.838 23.395 -22.162 1.00 0.50 C ATOM 531 CD1 PHE A 35 2.418 22.849 -21.028 1.00 74.55 C ATOM 532 CD2 PHE A 35 2.557 23.389 -23.347 1.00 14.54 C ATOM 533 CE1 PHE A 35 3.689 22.308 -21.076 1.00 33.03 C ATOM 534 CE2 PHE A 35 3.828 22.850 -23.400 1.00 70.10 C ATOM 535 CZ PHE A 35 4.394 22.307 -22.263 1.00 42.52 C ATOM 0 H PHE A 35 -0.247 21.970 -23.363 1.00 24.32 H new ATOM 0 HA PHE A 35 -0.293 22.650 -20.596 1.00 42.30 H new ATOM 0 HB2 PHE A 35 0.170 24.309 -23.108 1.00 12.14 H new ATOM 0 HB3 PHE A 35 0.473 24.870 -21.475 1.00 12.14 H new ATOM 0 HD1 PHE A 35 1.871 22.846 -20.097 1.00 74.55 H new ATOM 0 HD2 PHE A 35 2.119 23.811 -24.239 1.00 14.54 H new ATOM 0 HE1 PHE A 35 4.130 21.886 -20.185 1.00 33.03 H new ATOM 0 HE2 PHE A 35 4.378 22.853 -24.329 1.00 70.10 H new ATOM 0 HZ PHE A 35 5.386 21.882 -22.303 1.00 42.52 H new ATOM 545 N VAL A 36 -2.796 23.577 -22.438 1.00 12.01 N ATOM 546 CA VAL A 36 -4.110 24.209 -22.423 1.00 72.33 C ATOM 547 C VAL A 36 -4.990 23.621 -21.326 1.00 12.22 C ATOM 548 O VAL A 36 -5.599 24.354 -20.547 1.00 73.20 O ATOM 549 CB VAL A 36 -4.824 24.050 -23.779 1.00 33.22 C ATOM 550 CG1 VAL A 36 -4.199 24.963 -24.822 1.00 53.41 C ATOM 551 CG2 VAL A 36 -4.783 22.599 -24.235 1.00 54.32 C ATOM 0 H VAL A 36 -2.604 23.023 -23.272 1.00 12.01 H new ATOM 0 HA VAL A 36 -3.950 25.269 -22.227 1.00 72.33 H new ATOM 0 HB VAL A 36 -5.868 24.339 -23.657 1.00 33.22 H new ATOM 0 HG11 VAL A 36 -4.716 24.837 -25.773 1.00 53.41 H new ATOM 0 HG12 VAL A 36 -4.285 26.000 -24.497 1.00 53.41 H new ATOM 0 HG13 VAL A 36 -3.146 24.708 -24.945 1.00 53.41 H new ATOM 0 HG21 VAL A 36 -5.292 22.505 -25.194 1.00 54.32 H new ATOM 0 HG22 VAL A 36 -3.746 22.280 -24.341 1.00 54.32 H new ATOM 0 HG23 VAL A 36 -5.282 21.971 -23.497 1.00 54.32 H new ATOM 561 N GLU A 37 -5.051 22.294 -21.270 1.00 53.43 N ATOM 562 CA GLU A 37 -5.858 21.609 -20.267 1.00 63.34 C ATOM 563 C GLU A 37 -5.080 21.441 -18.965 1.00 43.24 C ATOM 564 O GLU A 37 -5.515 21.895 -17.907 1.00 33.41 O ATOM 565 CB GLU A 37 -6.304 20.241 -20.788 1.00 25.44 C ATOM 566 CG GLU A 37 -6.972 20.296 -22.151 1.00 64.02 C ATOM 567 CD GLU A 37 -8.242 21.125 -22.145 1.00 65.54 C ATOM 568 OE1 GLU A 37 -8.143 22.362 -22.011 1.00 22.13 O ATOM 569 OE2 GLU A 37 -9.335 20.535 -22.276 1.00 64.50 O ATOM 0 H GLU A 37 -4.552 21.673 -21.907 1.00 53.43 H new ATOM 0 HA GLU A 37 -6.739 22.219 -20.067 1.00 63.34 H new ATOM 0 HB2 GLU A 37 -5.437 19.583 -20.844 1.00 25.44 H new ATOM 0 HB3 GLU A 37 -6.995 19.797 -20.072 1.00 25.44 H new ATOM 0 HG2 GLU A 37 -6.274 20.713 -22.877 1.00 64.02 H new ATOM 0 HG3 GLU A 37 -7.205 19.283 -22.478 1.00 64.02 H new ATOM 576 N ASP A 38 -3.927 20.787 -19.052 1.00 70.41 N ATOM 577 CA ASP A 38 -3.087 20.559 -17.882 1.00 32.12 C ATOM 578 C ASP A 38 -2.705 21.880 -17.222 1.00 44.11 C ATOM 579 O ASP A 38 -2.857 22.049 -16.012 1.00 12.05 O ATOM 580 CB ASP A 38 -1.827 19.787 -18.275 1.00 23.13 C ATOM 581 CG ASP A 38 -1.247 18.997 -17.118 1.00 34.14 C ATOM 582 OD1 ASP A 38 -1.919 18.902 -16.069 1.00 72.14 O ATOM 583 OD2 ASP A 38 -0.122 18.474 -17.260 1.00 2.51 O ATOM 0 H ASP A 38 -3.553 20.405 -19.921 1.00 70.41 H new ATOM 0 HA ASP A 38 -3.657 19.967 -17.166 1.00 32.12 H new ATOM 0 HB2 ASP A 38 -2.062 19.107 -19.094 1.00 23.13 H new ATOM 0 HB3 ASP A 38 -1.077 20.486 -18.646 1.00 23.13 H new ATOM 588 N LEU A 39 -2.206 22.814 -18.025 1.00 20.41 N ATOM 589 CA LEU A 39 -1.800 24.120 -17.519 1.00 50.42 C ATOM 590 C LEU A 39 -2.842 25.182 -17.856 1.00 0.30 C ATOM 591 O LEU A 39 -3.848 24.896 -18.504 1.00 24.51 O ATOM 592 CB LEU A 39 -0.444 24.517 -18.105 1.00 24.23 C ATOM 593 CG LEU A 39 0.786 24.066 -17.315 1.00 71.13 C ATOM 594 CD1 LEU A 39 2.061 24.422 -18.064 1.00 31.41 C ATOM 595 CD2 LEU A 39 0.788 24.691 -15.928 1.00 13.11 C ATOM 0 H LEU A 39 -2.073 22.691 -19.029 1.00 20.41 H new ATOM 0 HA LEU A 39 -1.715 24.051 -16.435 1.00 50.42 H new ATOM 0 HB2 LEU A 39 -0.373 24.110 -19.113 1.00 24.23 H new ATOM 0 HB3 LEU A 39 -0.414 25.603 -18.197 1.00 24.23 H new ATOM 0 HG LEU A 39 0.745 22.983 -17.203 1.00 71.13 H new ATOM 0 HD11 LEU A 39 2.926 24.094 -17.487 1.00 31.41 H new ATOM 0 HD12 LEU A 39 2.063 23.926 -19.035 1.00 31.41 H new ATOM 0 HD13 LEU A 39 2.109 25.501 -18.208 1.00 31.41 H new ATOM 0 HD21 LEU A 39 1.670 24.359 -15.381 1.00 13.11 H new ATOM 0 HD22 LEU A 39 0.805 25.777 -16.018 1.00 13.11 H new ATOM 0 HD23 LEU A 39 -0.109 24.385 -15.390 1.00 13.11 H new ATOM 607 N ASN A 40 -2.592 26.410 -17.413 1.00 15.31 N ATOM 608 CA ASN A 40 -3.508 27.516 -17.669 1.00 34.13 C ATOM 609 C ASN A 40 -2.874 28.544 -18.600 1.00 65.25 C ATOM 610 O ASN A 40 -2.986 29.749 -18.380 1.00 55.35 O ATOM 611 CB ASN A 40 -3.914 28.185 -16.354 1.00 24.34 C ATOM 612 CG ASN A 40 -5.051 27.458 -15.662 1.00 10.30 C ATOM 613 OD1 ASN A 40 -5.385 26.327 -16.014 1.00 22.10 O ATOM 614 ND2 ASN A 40 -5.652 28.108 -14.672 1.00 75.11 N ATOM 0 H ASN A 40 -1.763 26.664 -16.875 1.00 15.31 H new ATOM 0 HA ASN A 40 -4.397 27.113 -18.154 1.00 34.13 H new ATOM 0 HB2 ASN A 40 -3.052 28.223 -15.688 1.00 24.34 H new ATOM 0 HB3 ASN A 40 -4.211 29.215 -16.550 1.00 24.34 H new ATOM 0 HD21 ASN A 40 -6.424 27.670 -14.169 1.00 75.11 H new ATOM 0 HD22 ASN A 40 -5.341 29.045 -14.414 1.00 75.11 H new ATOM 621 N ALA A 41 -2.206 28.058 -19.642 1.00 33.30 N ATOM 622 CA ALA A 41 -1.556 28.933 -20.609 1.00 2.43 C ATOM 623 C ALA A 41 -1.344 28.220 -21.940 1.00 3.33 C ATOM 624 O ALA A 41 -1.348 26.991 -22.004 1.00 20.23 O ATOM 625 CB ALA A 41 -0.228 29.433 -20.058 1.00 54.52 C ATOM 0 H ALA A 41 -2.101 27.062 -19.837 1.00 33.30 H new ATOM 0 HA ALA A 41 -2.209 29.788 -20.785 1.00 2.43 H new ATOM 0 HB1 ALA A 41 0.247 30.086 -20.790 1.00 54.52 H new ATOM 0 HB2 ALA A 41 -0.402 29.988 -19.136 1.00 54.52 H new ATOM 0 HB3 ALA A 41 0.423 28.584 -19.852 1.00 54.52 H new ATOM 631 N ASP A 42 -1.159 28.999 -23.000 1.00 12.11 N ATOM 632 CA ASP A 42 -0.945 28.442 -24.330 1.00 71.53 C ATOM 633 C ASP A 42 0.539 28.195 -24.584 1.00 31.02 C ATOM 634 O ASP A 42 1.397 28.820 -23.962 1.00 4.44 O ATOM 635 CB ASP A 42 -1.508 29.382 -25.397 1.00 71.33 C ATOM 636 CG ASP A 42 -2.917 29.842 -25.078 1.00 61.13 C ATOM 637 OD1 ASP A 42 -3.062 30.834 -24.334 1.00 33.32 O ATOM 638 OD2 ASP A 42 -3.874 29.210 -25.572 1.00 72.34 O ATOM 0 H ASP A 42 -1.153 30.018 -22.964 1.00 12.11 H new ATOM 0 HA ASP A 42 -1.468 27.487 -24.385 1.00 71.53 H new ATOM 0 HB2 ASP A 42 -0.858 30.252 -25.491 1.00 71.33 H new ATOM 0 HB3 ASP A 42 -1.504 28.875 -26.362 1.00 71.33 H new ATOM 643 N SER A 43 0.833 27.279 -25.501 1.00 22.34 N ATOM 644 CA SER A 43 2.213 26.946 -25.833 1.00 24.31 C ATOM 645 C SER A 43 3.021 28.206 -26.126 1.00 1.52 C ATOM 646 O SER A 43 4.237 28.238 -25.933 1.00 63.30 O ATOM 647 CB SER A 43 2.257 26.006 -27.040 1.00 3.42 C ATOM 648 OG SER A 43 3.468 25.270 -27.069 1.00 52.34 O ATOM 0 H SER A 43 0.134 26.754 -26.027 1.00 22.34 H new ATOM 0 HA SER A 43 2.656 26.443 -24.973 1.00 24.31 H new ATOM 0 HB2 SER A 43 1.411 25.319 -27.001 1.00 3.42 H new ATOM 0 HB3 SER A 43 2.157 26.584 -27.959 1.00 3.42 H new ATOM 0 HG SER A 43 3.471 24.676 -27.848 1.00 52.34 H new ATOM 654 N LEU A 44 2.336 29.245 -26.593 1.00 24.33 N ATOM 655 CA LEU A 44 2.989 30.510 -26.913 1.00 34.30 C ATOM 656 C LEU A 44 3.838 30.996 -25.743 1.00 14.21 C ATOM 657 O LEU A 44 5.004 31.352 -25.915 1.00 14.03 O ATOM 658 CB LEU A 44 1.944 31.567 -27.275 1.00 2.35 C ATOM 659 CG LEU A 44 0.994 31.209 -28.417 1.00 72.25 C ATOM 660 CD1 LEU A 44 -0.193 32.159 -28.442 1.00 75.23 C ATOM 661 CD2 LEU A 44 1.728 31.235 -29.750 1.00 2.10 C ATOM 0 H LEU A 44 1.330 29.236 -26.758 1.00 24.33 H new ATOM 0 HA LEU A 44 3.644 30.347 -27.769 1.00 34.30 H new ATOM 0 HB2 LEU A 44 1.349 31.779 -26.387 1.00 2.35 H new ATOM 0 HB3 LEU A 44 2.464 32.488 -27.537 1.00 2.35 H new ATOM 0 HG LEU A 44 0.621 30.199 -28.250 1.00 72.25 H new ATOM 0 HD11 LEU A 44 -0.858 31.888 -29.262 1.00 75.23 H new ATOM 0 HD12 LEU A 44 -0.734 32.091 -27.498 1.00 75.23 H new ATOM 0 HD13 LEU A 44 0.161 33.180 -28.584 1.00 75.23 H new ATOM 0 HD21 LEU A 44 1.036 30.978 -30.552 1.00 2.10 H new ATOM 0 HD22 LEU A 44 2.130 32.233 -29.924 1.00 2.10 H new ATOM 0 HD23 LEU A 44 2.544 30.513 -29.730 1.00 2.10 H new ATOM 673 N ASP A 45 3.246 31.007 -24.554 1.00 32.24 N ATOM 674 CA ASP A 45 3.949 31.446 -23.354 1.00 14.33 C ATOM 675 C ASP A 45 4.845 30.337 -22.812 1.00 43.23 C ATOM 676 O ASP A 45 5.796 30.599 -22.075 1.00 43.03 O ATOM 677 CB ASP A 45 2.948 31.880 -22.281 1.00 24.20 C ATOM 678 CG ASP A 45 2.656 33.367 -22.329 1.00 72.42 C ATOM 679 OD1 ASP A 45 2.645 33.934 -23.442 1.00 24.20 O ATOM 680 OD2 ASP A 45 2.436 33.963 -21.254 1.00 64.23 O ATOM 0 H ASP A 45 2.281 30.717 -24.395 1.00 32.24 H new ATOM 0 HA ASP A 45 4.576 32.297 -23.621 1.00 14.33 H new ATOM 0 HB2 ASP A 45 2.018 31.326 -22.410 1.00 24.20 H new ATOM 0 HB3 ASP A 45 3.339 31.621 -21.297 1.00 24.20 H new ATOM 685 N ILE A 46 4.535 29.099 -23.182 1.00 0.21 N ATOM 686 CA ILE A 46 5.313 27.951 -22.733 1.00 52.02 C ATOM 687 C ILE A 46 6.637 27.857 -23.484 1.00 32.31 C ATOM 688 O ILE A 46 7.606 27.284 -22.985 1.00 11.11 O ATOM 689 CB ILE A 46 4.534 26.636 -22.921 1.00 23.40 C ATOM 690 CG1 ILE A 46 3.192 26.703 -22.190 1.00 54.44 C ATOM 691 CG2 ILE A 46 5.357 25.457 -22.421 1.00 14.41 C ATOM 692 CD1 ILE A 46 3.326 26.828 -20.689 1.00 23.41 C ATOM 0 H ILE A 46 3.751 28.865 -23.791 1.00 0.21 H new ATOM 0 HA ILE A 46 5.510 28.098 -21.671 1.00 52.02 H new ATOM 0 HB ILE A 46 4.340 26.495 -23.984 1.00 23.40 H new ATOM 0 HG12 ILE A 46 2.624 27.553 -22.568 1.00 54.44 H new ATOM 0 HG13 ILE A 46 2.616 25.807 -22.422 1.00 54.44 H new ATOM 0 HG21 ILE A 46 4.793 24.535 -22.560 1.00 14.41 H new ATOM 0 HG22 ILE A 46 6.290 25.401 -22.982 1.00 14.41 H new ATOM 0 HG23 ILE A 46 5.578 25.591 -21.362 1.00 14.41 H new ATOM 0 HD11 ILE A 46 2.335 26.870 -20.237 1.00 23.41 H new ATOM 0 HD12 ILE A 46 3.866 25.965 -20.299 1.00 23.41 H new ATOM 0 HD13 ILE A 46 3.874 27.739 -20.447 1.00 23.41 H new ATOM 704 N TYR A 47 6.671 28.424 -24.685 1.00 23.34 N ATOM 705 CA TYR A 47 7.876 28.403 -25.505 1.00 44.31 C ATOM 706 C TYR A 47 9.098 28.817 -24.690 1.00 33.13 C ATOM 707 O TYR A 47 10.068 28.068 -24.583 1.00 42.10 O ATOM 708 CB TYR A 47 7.715 29.333 -26.709 1.00 74.32 C ATOM 709 CG TYR A 47 8.926 29.369 -27.613 1.00 70.23 C ATOM 710 CD1 TYR A 47 9.965 30.262 -27.381 1.00 74.20 C ATOM 711 CD2 TYR A 47 9.032 28.509 -28.700 1.00 21.34 C ATOM 712 CE1 TYR A 47 11.073 30.299 -28.205 1.00 73.41 C ATOM 713 CE2 TYR A 47 10.137 28.538 -29.528 1.00 63.51 C ATOM 714 CZ TYR A 47 11.155 29.434 -29.277 1.00 14.50 C ATOM 715 OH TYR A 47 12.257 29.467 -30.099 1.00 44.03 O ATOM 0 H TYR A 47 5.878 28.903 -25.112 1.00 23.34 H new ATOM 0 HA TYR A 47 8.026 27.383 -25.858 1.00 44.31 H new ATOM 0 HB2 TYR A 47 6.848 29.016 -27.289 1.00 74.32 H new ATOM 0 HB3 TYR A 47 7.508 30.342 -26.353 1.00 74.32 H new ATOM 0 HD1 TYR A 47 9.905 30.939 -26.542 1.00 74.20 H new ATOM 0 HD2 TYR A 47 8.237 27.806 -28.900 1.00 21.34 H new ATOM 0 HE1 TYR A 47 11.871 31.001 -28.011 1.00 73.41 H new ATOM 0 HE2 TYR A 47 10.204 27.862 -30.368 1.00 63.51 H new ATOM 0 HH TYR A 47 12.159 28.794 -30.805 1.00 44.03 H new ATOM 725 N GLU A 48 9.040 30.015 -24.116 1.00 21.31 N ATOM 726 CA GLU A 48 10.141 30.529 -23.310 1.00 23.40 C ATOM 727 C GLU A 48 10.217 29.806 -21.968 1.00 62.32 C ATOM 728 O GLU A 48 11.300 29.615 -21.413 1.00 61.01 O ATOM 729 CB GLU A 48 9.978 32.033 -23.083 1.00 34.13 C ATOM 730 CG GLU A 48 10.120 32.859 -24.350 1.00 71.01 C ATOM 731 CD GLU A 48 8.784 33.173 -24.995 1.00 12.02 C ATOM 732 OE1 GLU A 48 7.837 33.518 -24.258 1.00 13.45 O ATOM 733 OE2 GLU A 48 8.685 33.073 -26.235 1.00 40.35 O ATOM 0 H GLU A 48 8.243 30.647 -24.194 1.00 21.31 H new ATOM 0 HA GLU A 48 11.069 30.350 -23.853 1.00 23.40 H new ATOM 0 HB2 GLU A 48 8.998 32.222 -22.644 1.00 34.13 H new ATOM 0 HB3 GLU A 48 10.721 32.365 -22.358 1.00 34.13 H new ATOM 0 HG2 GLU A 48 10.634 33.791 -24.116 1.00 71.01 H new ATOM 0 HG3 GLU A 48 10.745 32.320 -25.062 1.00 71.01 H new ATOM 740 N LEU A 49 9.060 29.406 -21.452 1.00 41.21 N ATOM 741 CA LEU A 49 8.994 28.704 -20.175 1.00 13.51 C ATOM 742 C LEU A 49 9.953 27.519 -20.155 1.00 31.44 C ATOM 743 O LEU A 49 10.877 27.468 -19.342 1.00 22.30 O ATOM 744 CB LEU A 49 7.566 28.225 -19.908 1.00 30.13 C ATOM 745 CG LEU A 49 7.149 28.144 -18.439 1.00 30.12 C ATOM 746 CD1 LEU A 49 6.724 29.512 -17.928 1.00 64.02 C ATOM 747 CD2 LEU A 49 6.026 27.133 -18.258 1.00 51.12 C ATOM 0 H LEU A 49 8.155 29.556 -21.898 1.00 41.21 H new ATOM 0 HA LEU A 49 9.290 29.400 -19.390 1.00 13.51 H new ATOM 0 HB2 LEU A 49 6.877 28.894 -20.424 1.00 30.13 H new ATOM 0 HB3 LEU A 49 7.446 27.238 -20.354 1.00 30.13 H new ATOM 0 HG LEU A 49 8.008 27.812 -17.856 1.00 30.12 H new ATOM 0 HD11 LEU A 49 6.431 29.434 -16.881 1.00 64.02 H new ATOM 0 HD12 LEU A 49 7.556 30.210 -18.021 1.00 64.02 H new ATOM 0 HD13 LEU A 49 5.880 29.874 -18.515 1.00 64.02 H new ATOM 0 HD21 LEU A 49 5.742 27.089 -17.207 1.00 51.12 H new ATOM 0 HD22 LEU A 49 5.165 27.435 -18.854 1.00 51.12 H new ATOM 0 HD23 LEU A 49 6.366 26.150 -18.584 1.00 51.12 H new ATOM 759 N LEU A 50 9.729 26.568 -21.055 1.00 33.33 N ATOM 760 CA LEU A 50 10.574 25.382 -21.142 1.00 45.43 C ATOM 761 C LEU A 50 12.009 25.762 -21.494 1.00 4.04 C ATOM 762 O LEU A 50 12.955 25.068 -21.120 1.00 2.24 O ATOM 763 CB LEU A 50 10.021 24.413 -22.188 1.00 32.21 C ATOM 764 CG LEU A 50 9.574 25.036 -23.511 1.00 34.23 C ATOM 765 CD1 LEU A 50 10.529 24.654 -24.631 1.00 2.05 C ATOM 766 CD2 LEU A 50 8.154 24.606 -23.849 1.00 54.44 C ATOM 0 H LEU A 50 8.969 26.595 -21.735 1.00 33.33 H new ATOM 0 HA LEU A 50 10.574 24.894 -20.167 1.00 45.43 H new ATOM 0 HB2 LEU A 50 10.785 23.666 -22.401 1.00 32.21 H new ATOM 0 HB3 LEU A 50 9.172 23.886 -21.753 1.00 32.21 H new ATOM 0 HG LEU A 50 9.589 26.121 -23.403 1.00 34.23 H new ATOM 0 HD11 LEU A 50 10.195 25.107 -25.565 1.00 2.05 H new ATOM 0 HD12 LEU A 50 11.531 25.012 -24.393 1.00 2.05 H new ATOM 0 HD13 LEU A 50 10.547 23.570 -24.740 1.00 2.05 H new ATOM 0 HD21 LEU A 50 7.852 25.058 -24.794 1.00 54.44 H new ATOM 0 HD22 LEU A 50 8.114 23.520 -23.938 1.00 54.44 H new ATOM 0 HD23 LEU A 50 7.478 24.931 -23.058 1.00 54.44 H new ATOM 778 N TYR A 51 12.164 26.868 -22.212 1.00 51.34 N ATOM 779 CA TYR A 51 13.483 27.341 -22.614 1.00 65.44 C ATOM 780 C TYR A 51 14.362 27.605 -21.396 1.00 0.25 C ATOM 781 O TYR A 51 15.509 27.159 -21.333 1.00 54.40 O ATOM 782 CB TYR A 51 13.359 28.614 -23.453 1.00 70.53 C ATOM 783 CG TYR A 51 14.008 28.507 -24.815 1.00 1.32 C ATOM 784 CD1 TYR A 51 15.263 27.929 -24.965 1.00 34.14 C ATOM 785 CD2 TYR A 51 13.368 28.986 -25.951 1.00 12.20 C ATOM 786 CE1 TYR A 51 15.860 27.830 -26.206 1.00 40.24 C ATOM 787 CE2 TYR A 51 13.957 28.890 -27.197 1.00 11.52 C ATOM 788 CZ TYR A 51 15.203 28.312 -27.319 1.00 60.03 C ATOM 789 OH TYR A 51 15.794 28.216 -28.558 1.00 52.14 O ATOM 0 H TYR A 51 11.392 27.455 -22.528 1.00 51.34 H new ATOM 0 HA TYR A 51 13.951 26.562 -23.216 1.00 65.44 H new ATOM 0 HB2 TYR A 51 12.303 28.854 -23.581 1.00 70.53 H new ATOM 0 HB3 TYR A 51 13.811 29.443 -22.909 1.00 70.53 H new ATOM 0 HD1 TYR A 51 15.780 27.551 -24.096 1.00 34.14 H new ATOM 0 HD2 TYR A 51 12.393 29.441 -25.859 1.00 12.20 H new ATOM 0 HE1 TYR A 51 16.836 27.378 -26.305 1.00 40.24 H new ATOM 0 HE2 TYR A 51 13.445 29.265 -28.070 1.00 11.52 H new ATOM 0 HH TYR A 51 15.199 28.601 -29.235 1.00 52.14 H new ATOM 799 N LEU A 52 13.816 28.333 -20.428 1.00 11.31 N ATOM 800 CA LEU A 52 14.548 28.658 -19.209 1.00 1.13 C ATOM 801 C LEU A 52 14.667 27.436 -18.303 1.00 42.52 C ATOM 802 O LEU A 52 15.628 27.305 -17.543 1.00 75.11 O ATOM 803 CB LEU A 52 13.852 29.796 -18.460 1.00 51.11 C ATOM 804 CG LEU A 52 14.276 31.213 -18.848 1.00 51.02 C ATOM 805 CD1 LEU A 52 13.909 31.502 -20.296 1.00 4.35 C ATOM 806 CD2 LEU A 52 13.636 32.234 -17.920 1.00 14.54 C ATOM 0 H LEU A 52 12.869 28.709 -20.464 1.00 11.31 H new ATOM 0 HA LEU A 52 15.551 28.977 -19.492 1.00 1.13 H new ATOM 0 HB2 LEU A 52 12.777 29.704 -18.617 1.00 51.11 H new ATOM 0 HB3 LEU A 52 14.030 29.664 -17.393 1.00 51.11 H new ATOM 0 HG LEU A 52 15.359 31.288 -18.747 1.00 51.02 H new ATOM 0 HD11 LEU A 52 14.218 32.515 -20.555 1.00 4.35 H new ATOM 0 HD12 LEU A 52 14.415 30.790 -20.949 1.00 4.35 H new ATOM 0 HD13 LEU A 52 12.831 31.408 -20.424 1.00 4.35 H new ATOM 0 HD21 LEU A 52 13.949 33.237 -18.211 1.00 14.54 H new ATOM 0 HD22 LEU A 52 12.551 32.158 -17.989 1.00 14.54 H new ATOM 0 HD23 LEU A 52 13.949 32.040 -16.894 1.00 14.54 H new ATOM 818 N LEU A 53 13.687 26.544 -18.391 1.00 21.03 N ATOM 819 CA LEU A 53 13.683 25.331 -17.581 1.00 33.42 C ATOM 820 C LEU A 53 14.871 24.440 -17.928 1.00 23.11 C ATOM 821 O LEU A 53 15.561 23.937 -17.042 1.00 20.22 O ATOM 822 CB LEU A 53 12.377 24.561 -17.787 1.00 12.11 C ATOM 823 CG LEU A 53 11.313 24.741 -16.703 1.00 43.41 C ATOM 824 CD1 LEU A 53 10.850 26.189 -16.646 1.00 32.45 C ATOM 825 CD2 LEU A 53 10.135 23.811 -16.952 1.00 52.54 C ATOM 0 H LEU A 53 12.885 26.638 -19.015 1.00 21.03 H new ATOM 0 HA LEU A 53 13.765 25.623 -16.534 1.00 33.42 H new ATOM 0 HB2 LEU A 53 11.948 24.862 -18.743 1.00 12.11 H new ATOM 0 HB3 LEU A 53 12.613 23.500 -17.864 1.00 12.11 H new ATOM 0 HG LEU A 53 11.755 24.484 -15.740 1.00 43.41 H new ATOM 0 HD11 LEU A 53 10.093 26.299 -15.869 1.00 32.45 H new ATOM 0 HD12 LEU A 53 11.699 26.834 -16.419 1.00 32.45 H new ATOM 0 HD13 LEU A 53 10.426 26.473 -17.609 1.00 32.45 H new ATOM 0 HD21 LEU A 53 9.388 23.953 -16.171 1.00 52.54 H new ATOM 0 HD22 LEU A 53 9.693 24.036 -17.922 1.00 52.54 H new ATOM 0 HD23 LEU A 53 10.479 22.777 -16.941 1.00 52.54 H new ATOM 837 N GLU A 54 15.105 24.252 -19.223 1.00 21.20 N ATOM 838 CA GLU A 54 16.212 23.423 -19.686 1.00 73.12 C ATOM 839 C GLU A 54 17.551 24.106 -19.423 1.00 34.03 C ATOM 840 O GLU A 54 18.564 23.443 -19.204 1.00 41.32 O ATOM 841 CB GLU A 54 16.064 23.124 -21.180 1.00 2.44 C ATOM 842 CG GLU A 54 16.721 24.161 -22.075 1.00 53.33 C ATOM 843 CD GLU A 54 16.224 24.094 -23.507 1.00 4.14 C ATOM 844 OE1 GLU A 54 15.082 24.532 -23.759 1.00 4.10 O ATOM 845 OE2 GLU A 54 16.977 23.604 -24.374 1.00 21.42 O ATOM 0 H GLU A 54 14.544 24.662 -19.969 1.00 21.20 H new ATOM 0 HA GLU A 54 16.187 22.485 -19.131 1.00 73.12 H new ATOM 0 HB2 GLU A 54 16.498 22.147 -21.391 1.00 2.44 H new ATOM 0 HB3 GLU A 54 15.004 23.062 -21.427 1.00 2.44 H new ATOM 0 HG2 GLU A 54 16.529 25.156 -21.674 1.00 53.33 H new ATOM 0 HG3 GLU A 54 17.801 24.015 -22.062 1.00 53.33 H new ATOM 852 N GLU A 55 17.545 25.435 -19.446 1.00 10.10 N ATOM 853 CA GLU A 55 18.759 26.208 -19.211 1.00 61.21 C ATOM 854 C GLU A 55 19.238 26.044 -17.772 1.00 3.14 C ATOM 855 O GLU A 55 20.438 26.077 -17.498 1.00 34.31 O ATOM 856 CB GLU A 55 18.515 27.688 -19.514 1.00 20.42 C ATOM 857 CG GLU A 55 18.595 28.581 -18.287 1.00 43.04 C ATOM 858 CD GLU A 55 18.300 30.034 -18.604 1.00 3.40 C ATOM 859 OE1 GLU A 55 18.632 30.477 -19.723 1.00 55.44 O ATOM 860 OE2 GLU A 55 17.738 30.729 -17.731 1.00 74.54 O ATOM 0 H GLU A 55 16.714 25.998 -19.625 1.00 10.10 H new ATOM 0 HA GLU A 55 19.534 25.831 -19.879 1.00 61.21 H new ATOM 0 HB2 GLU A 55 19.247 28.026 -20.247 1.00 20.42 H new ATOM 0 HB3 GLU A 55 17.532 27.800 -19.971 1.00 20.42 H new ATOM 0 HG2 GLU A 55 17.888 28.226 -17.537 1.00 43.04 H new ATOM 0 HG3 GLU A 55 19.590 28.503 -17.850 1.00 43.04 H new ATOM 867 N ALA A 56 18.292 25.869 -16.855 1.00 74.55 N ATOM 868 CA ALA A 56 18.616 25.698 -15.445 1.00 0.44 C ATOM 869 C ALA A 56 19.291 24.354 -15.195 1.00 32.12 C ATOM 870 O ALA A 56 19.961 24.164 -14.180 1.00 25.40 O ATOM 871 CB ALA A 56 17.360 25.827 -14.595 1.00 63.21 C ATOM 0 H ALA A 56 17.294 25.842 -17.064 1.00 74.55 H new ATOM 0 HA ALA A 56 19.316 26.484 -15.161 1.00 0.44 H new ATOM 0 HB1 ALA A 56 17.617 25.697 -13.544 1.00 63.21 H new ATOM 0 HB2 ALA A 56 16.921 26.814 -14.742 1.00 63.21 H new ATOM 0 HB3 ALA A 56 16.641 25.063 -14.890 1.00 63.21 H new ATOM 877 N PHE A 57 19.108 23.423 -16.126 1.00 4.51 N ATOM 878 CA PHE A 57 19.698 22.095 -16.006 1.00 5.45 C ATOM 879 C PHE A 57 20.830 21.910 -17.012 1.00 71.43 C ATOM 880 O PHE A 57 21.550 20.912 -16.976 1.00 30.40 O ATOM 881 CB PHE A 57 18.631 21.019 -16.216 1.00 45.01 C ATOM 882 CG PHE A 57 17.319 21.339 -15.560 1.00 1.44 C ATOM 883 CD1 PHE A 57 17.279 21.835 -14.266 1.00 42.33 C ATOM 884 CD2 PHE A 57 16.125 21.145 -16.236 1.00 5.33 C ATOM 885 CE1 PHE A 57 16.073 22.130 -13.660 1.00 11.03 C ATOM 886 CE2 PHE A 57 14.916 21.439 -15.634 1.00 70.34 C ATOM 887 CZ PHE A 57 14.890 21.933 -14.345 1.00 31.30 C ATOM 0 H PHE A 57 18.556 23.564 -16.972 1.00 4.51 H new ATOM 0 HA PHE A 57 20.110 21.997 -15.002 1.00 5.45 H new ATOM 0 HB2 PHE A 57 18.470 20.883 -17.285 1.00 45.01 H new ATOM 0 HB3 PHE A 57 19.001 20.071 -15.826 1.00 45.01 H new ATOM 0 HD1 PHE A 57 18.201 21.993 -13.726 1.00 42.33 H new ATOM 0 HD2 PHE A 57 16.139 20.760 -17.245 1.00 5.33 H new ATOM 0 HE1 PHE A 57 16.055 22.515 -12.651 1.00 11.03 H new ATOM 0 HE2 PHE A 57 13.992 21.282 -16.171 1.00 70.34 H new ATOM 0 HZ PHE A 57 13.947 22.165 -13.873 1.00 31.30 H new ATOM 897 N ASP A 58 20.980 22.877 -17.910 1.00 14.30 N ATOM 898 CA ASP A 58 22.023 22.822 -18.927 1.00 62.01 C ATOM 899 C ASP A 58 21.814 21.630 -19.856 1.00 52.32 C ATOM 900 O ASP A 58 22.574 20.662 -19.822 1.00 10.54 O ATOM 901 CB ASP A 58 23.402 22.736 -18.270 1.00 14.11 C ATOM 902 CG ASP A 58 23.549 23.696 -17.106 1.00 51.41 C ATOM 903 OD1 ASP A 58 23.160 24.873 -17.256 1.00 12.43 O ATOM 904 OD2 ASP A 58 24.054 23.271 -16.046 1.00 1.32 O ATOM 0 H ASP A 58 20.392 23.709 -17.954 1.00 14.30 H new ATOM 0 HA ASP A 58 21.967 23.736 -19.519 1.00 62.01 H new ATOM 0 HB2 ASP A 58 23.572 21.717 -17.921 1.00 14.11 H new ATOM 0 HB3 ASP A 58 24.170 22.951 -19.014 1.00 14.11 H new ATOM 909 N ASP A 59 20.778 21.707 -20.685 1.00 2.44 N ATOM 910 CA ASP A 59 20.468 20.635 -21.623 1.00 44.23 C ATOM 911 C ASP A 59 19.475 21.108 -22.680 1.00 44.42 C ATOM 912 O ASP A 59 18.544 21.856 -22.382 1.00 74.21 O ATOM 913 CB ASP A 59 19.902 19.425 -20.879 1.00 62.22 C ATOM 914 CG ASP A 59 20.954 18.368 -20.608 1.00 64.43 C ATOM 915 OD1 ASP A 59 21.609 17.920 -21.573 1.00 41.45 O ATOM 916 OD2 ASP A 59 21.124 17.988 -19.431 1.00 31.11 O ATOM 0 H ASP A 59 20.139 22.501 -20.726 1.00 2.44 H new ATOM 0 HA ASP A 59 21.392 20.345 -22.123 1.00 44.23 H new ATOM 0 HB2 ASP A 59 19.469 19.753 -19.934 1.00 62.22 H new ATOM 0 HB3 ASP A 59 19.094 18.987 -21.465 1.00 62.22 H new ATOM 921 N LYS A 60 19.682 20.669 -23.917 1.00 54.01 N ATOM 922 CA LYS A 60 18.805 21.047 -25.020 1.00 23.53 C ATOM 923 C LYS A 60 17.470 20.315 -24.929 1.00 21.24 C ATOM 924 O LYS A 60 17.428 19.111 -24.672 1.00 12.20 O ATOM 925 CB LYS A 60 19.477 20.739 -26.360 1.00 51.41 C ATOM 926 CG LYS A 60 20.464 21.805 -26.804 1.00 24.31 C ATOM 927 CD LYS A 60 21.083 21.466 -28.150 1.00 21.33 C ATOM 928 CE LYS A 60 22.254 22.382 -28.472 1.00 31.35 C ATOM 929 NZ LYS A 60 21.889 23.819 -28.332 1.00 33.42 N ATOM 0 H LYS A 60 20.449 20.051 -24.181 1.00 54.01 H new ATOM 0 HA LYS A 60 18.617 22.118 -24.952 1.00 23.53 H new ATOM 0 HB2 LYS A 60 19.996 19.783 -26.286 1.00 51.41 H new ATOM 0 HB3 LYS A 60 18.709 20.626 -27.125 1.00 51.41 H new ATOM 0 HG2 LYS A 60 19.957 22.768 -26.868 1.00 24.31 H new ATOM 0 HG3 LYS A 60 21.250 21.908 -26.056 1.00 24.31 H new ATOM 0 HD2 LYS A 60 21.421 20.430 -28.146 1.00 21.33 H new ATOM 0 HD3 LYS A 60 20.327 21.552 -28.931 1.00 21.33 H new ATOM 0 HE2 LYS A 60 23.088 22.153 -27.808 1.00 31.35 H new ATOM 0 HE3 LYS A 60 22.595 22.191 -29.490 1.00 31.35 H new ATOM 0 HZ1 LYS A 60 22.644 24.410 -28.735 1.00 33.42 H new ATOM 0 HZ2 LYS A 60 20.999 24.002 -28.838 1.00 33.42 H new ATOM 0 HZ3 LYS A 60 21.768 24.050 -27.325 1.00 33.42 H new ATOM 943 N ILE A 61 16.383 21.048 -25.142 1.00 11.34 N ATOM 944 CA ILE A 61 15.047 20.468 -25.086 1.00 21.41 C ATOM 945 C ILE A 61 14.797 19.548 -26.276 1.00 65.14 C ATOM 946 O ILE A 61 14.502 18.362 -26.125 1.00 44.25 O ATOM 947 CB ILE A 61 13.960 21.558 -25.057 1.00 71.00 C ATOM 948 CG1 ILE A 61 13.685 21.997 -23.617 1.00 44.13 C ATOM 949 CG2 ILE A 61 12.685 21.052 -25.715 1.00 33.05 C ATOM 950 CD1 ILE A 61 12.887 20.990 -22.820 1.00 75.22 C ATOM 0 H ILE A 61 16.401 22.045 -25.355 1.00 11.34 H new ATOM 0 HA ILE A 61 14.993 19.889 -24.164 1.00 21.41 H new ATOM 0 HB ILE A 61 14.317 22.422 -25.618 1.00 71.00 H new ATOM 0 HG12 ILE A 61 14.635 22.177 -23.113 1.00 44.13 H new ATOM 0 HG13 ILE A 61 13.147 22.945 -23.631 1.00 44.13 H new ATOM 0 HG21 ILE A 61 11.926 21.834 -25.687 1.00 33.05 H new ATOM 0 HG22 ILE A 61 12.892 20.784 -26.751 1.00 33.05 H new ATOM 0 HG23 ILE A 61 12.322 20.175 -25.179 1.00 33.05 H new ATOM 0 HD11 ILE A 61 12.730 21.368 -21.810 1.00 75.22 H new ATOM 0 HD12 ILE A 61 11.922 20.828 -23.301 1.00 75.22 H new ATOM 0 HD13 ILE A 61 13.433 20.047 -22.774 1.00 75.22 H new ATOM 962 N PRO A 62 14.920 20.105 -27.490 1.00 52.14 N ATOM 963 CA PRO A 62 14.714 19.352 -28.731 1.00 51.43 C ATOM 964 C PRO A 62 15.819 18.332 -28.980 1.00 63.14 C ATOM 965 O PRO A 62 15.775 17.582 -29.955 1.00 21.22 O ATOM 966 CB PRO A 62 14.734 20.437 -29.811 1.00 71.24 C ATOM 967 CG PRO A 62 15.541 21.542 -29.224 1.00 3.24 C ATOM 968 CD PRO A 62 15.269 21.513 -27.745 1.00 60.20 C ATOM 0 HA PRO A 62 13.792 18.771 -28.708 1.00 51.43 H new ATOM 0 HB2 PRO A 62 15.181 20.068 -30.734 1.00 71.24 H new ATOM 0 HB3 PRO A 62 13.726 20.770 -30.056 1.00 71.24 H new ATOM 0 HG2 PRO A 62 16.602 21.401 -29.428 1.00 3.24 H new ATOM 0 HG3 PRO A 62 15.258 22.503 -29.654 1.00 3.24 H new ATOM 0 HD2 PRO A 62 16.142 21.821 -27.170 1.00 60.20 H new ATOM 0 HD3 PRO A 62 14.455 22.185 -27.473 1.00 60.20 H new ATOM 976 N GLU A 63 16.809 18.310 -28.093 1.00 61.22 N ATOM 977 CA GLU A 63 17.926 17.381 -28.219 1.00 31.23 C ATOM 978 C GLU A 63 17.879 16.322 -27.121 1.00 33.20 C ATOM 979 O GLU A 63 17.687 15.138 -27.394 1.00 70.22 O ATOM 980 CB GLU A 63 19.256 18.136 -28.157 1.00 75.44 C ATOM 981 CG GLU A 63 20.304 17.600 -29.118 1.00 3.04 C ATOM 982 CD GLU A 63 20.074 18.055 -30.546 1.00 5.23 C ATOM 983 OE1 GLU A 63 20.319 19.245 -30.837 1.00 31.45 O ATOM 984 OE2 GLU A 63 19.650 17.221 -31.373 1.00 22.24 O ATOM 0 H GLU A 63 16.860 18.924 -27.280 1.00 61.22 H new ATOM 0 HA GLU A 63 17.844 16.883 -29.185 1.00 31.23 H new ATOM 0 HB2 GLU A 63 19.078 19.189 -28.377 1.00 75.44 H new ATOM 0 HB3 GLU A 63 19.647 18.085 -27.141 1.00 75.44 H new ATOM 0 HG2 GLU A 63 21.291 17.926 -28.791 1.00 3.04 H new ATOM 0 HG3 GLU A 63 20.300 16.511 -29.083 1.00 3.04 H new ATOM 991 N ASN A 64 18.056 16.758 -25.878 1.00 53.01 N ATOM 992 CA ASN A 64 18.035 15.848 -24.738 1.00 55.24 C ATOM 993 C ASN A 64 16.609 15.406 -24.422 1.00 22.30 C ATOM 994 O ASN A 64 16.287 14.220 -24.494 1.00 51.40 O ATOM 995 CB ASN A 64 18.656 16.519 -23.512 1.00 43.20 C ATOM 996 CG ASN A 64 19.388 15.533 -22.622 1.00 45.24 C ATOM 997 OD1 ASN A 64 20.608 15.390 -22.708 1.00 62.43 O ATOM 998 ND2 ASN A 64 18.645 14.848 -21.762 1.00 32.40 N ATOM 0 H ASN A 64 18.216 17.736 -25.634 1.00 53.01 H new ATOM 0 HA ASN A 64 18.621 14.966 -24.997 1.00 55.24 H new ATOM 0 HB2 ASN A 64 19.349 17.294 -23.838 1.00 43.20 H new ATOM 0 HB3 ASN A 64 17.873 17.013 -22.936 1.00 43.20 H new ATOM 0 HD21 ASN A 64 19.082 14.170 -21.137 1.00 32.40 H new ATOM 0 HD22 ASN A 64 17.637 14.999 -21.726 1.00 32.40 H new ATOM 1005 N GLU A 65 15.761 16.367 -24.072 1.00 54.41 N ATOM 1006 CA GLU A 65 14.370 16.076 -23.745 1.00 11.14 C ATOM 1007 C GLU A 65 13.669 15.386 -24.911 1.00 63.43 C ATOM 1008 O GLU A 65 12.724 14.622 -24.717 1.00 62.23 O ATOM 1009 CB GLU A 65 13.628 17.364 -23.380 1.00 21.21 C ATOM 1010 CG GLU A 65 13.732 17.730 -21.909 1.00 42.40 C ATOM 1011 CD GLU A 65 14.977 18.537 -21.596 1.00 3.15 C ATOM 1012 OE1 GLU A 65 16.091 18.038 -21.860 1.00 73.31 O ATOM 1013 OE2 GLU A 65 14.837 19.669 -21.086 1.00 25.44 O ATOM 0 H GLU A 65 16.012 17.353 -24.007 1.00 54.41 H new ATOM 0 HA GLU A 65 14.359 15.403 -22.888 1.00 11.14 H new ATOM 0 HB2 GLU A 65 14.025 18.184 -23.979 1.00 21.21 H new ATOM 0 HB3 GLU A 65 12.576 17.255 -23.645 1.00 21.21 H new ATOM 0 HG2 GLU A 65 12.850 18.301 -21.617 1.00 42.40 H new ATOM 0 HG3 GLU A 65 13.734 16.819 -21.311 1.00 42.40 H new ATOM 1020 N ALA A 66 14.140 15.661 -26.123 1.00 50.22 N ATOM 1021 CA ALA A 66 13.561 15.066 -27.321 1.00 54.31 C ATOM 1022 C ALA A 66 13.720 13.550 -27.313 1.00 33.31 C ATOM 1023 O ALA A 66 13.076 12.845 -28.088 1.00 72.45 O ATOM 1024 CB ALA A 66 14.201 15.659 -28.567 1.00 51.35 C ATOM 0 H ALA A 66 14.921 16.292 -26.301 1.00 50.22 H new ATOM 0 HA ALA A 66 12.495 15.293 -27.330 1.00 54.31 H new ATOM 0 HB1 ALA A 66 13.759 15.205 -29.454 1.00 51.35 H new ATOM 0 HB2 ALA A 66 14.030 16.735 -28.587 1.00 51.35 H new ATOM 0 HB3 ALA A 66 15.273 15.462 -28.554 1.00 51.35 H new ATOM 1030 N ASN A 67 14.582 13.055 -26.431 1.00 63.43 N ATOM 1031 CA ASN A 67 14.827 11.621 -26.323 1.00 72.14 C ATOM 1032 C ASN A 67 13.524 10.863 -26.084 1.00 3.44 C ATOM 1033 O ASN A 67 13.391 9.702 -26.468 1.00 11.20 O ATOM 1034 CB ASN A 67 15.813 11.334 -25.189 1.00 13.40 C ATOM 1035 CG ASN A 67 15.141 11.319 -23.829 1.00 40.24 C ATOM 1036 OD1 ASN A 67 15.206 10.327 -23.103 1.00 44.05 O ATOM 1037 ND2 ASN A 67 14.490 12.422 -23.479 1.00 4.43 N ATOM 0 H ASN A 67 15.123 13.625 -25.781 1.00 63.43 H new ATOM 0 HA ASN A 67 15.258 11.280 -27.264 1.00 72.14 H new ATOM 0 HB2 ASN A 67 16.294 10.372 -25.364 1.00 13.40 H new ATOM 0 HB3 ASN A 67 16.599 12.089 -25.195 1.00 13.40 H new ATOM 0 HD21 ASN A 67 14.018 12.471 -22.576 1.00 4.43 H new ATOM 0 HD22 ASN A 67 14.462 13.221 -24.113 1.00 4.43 H new ATOM 1044 N GLU A 68 12.567 11.530 -25.446 1.00 51.34 N ATOM 1045 CA GLU A 68 11.275 10.919 -25.156 1.00 2.45 C ATOM 1046 C GLU A 68 10.229 11.984 -24.840 1.00 14.01 C ATOM 1047 O GLU A 68 9.449 11.844 -23.897 1.00 41.12 O ATOM 1048 CB GLU A 68 11.399 9.946 -23.981 1.00 41.41 C ATOM 1049 CG GLU A 68 10.597 8.669 -24.162 1.00 34.12 C ATOM 1050 CD GLU A 68 11.251 7.701 -25.129 1.00 34.14 C ATOM 1051 OE1 GLU A 68 12.498 7.634 -25.148 1.00 14.41 O ATOM 1052 OE2 GLU A 68 10.516 7.011 -25.866 1.00 22.43 O ATOM 0 H GLU A 68 12.662 12.492 -25.121 1.00 51.34 H new ATOM 0 HA GLU A 68 10.954 10.370 -26.041 1.00 2.45 H new ATOM 0 HB2 GLU A 68 12.449 9.689 -23.842 1.00 41.41 H new ATOM 0 HB3 GLU A 68 11.070 10.446 -23.070 1.00 41.41 H new ATOM 0 HG2 GLU A 68 10.473 8.182 -23.195 1.00 34.12 H new ATOM 0 HG3 GLU A 68 9.599 8.919 -24.523 1.00 34.12 H new ATOM 1059 N PHE A 69 10.218 13.049 -25.635 1.00 72.20 N ATOM 1060 CA PHE A 69 9.269 14.139 -25.440 1.00 73.35 C ATOM 1061 C PHE A 69 8.037 13.951 -26.322 1.00 2.24 C ATOM 1062 O PHE A 69 8.131 13.434 -27.434 1.00 33.50 O ATOM 1063 CB PHE A 69 9.932 15.482 -25.751 1.00 10.23 C ATOM 1064 CG PHE A 69 9.793 16.489 -24.644 1.00 63.35 C ATOM 1065 CD1 PHE A 69 9.964 16.112 -23.322 1.00 44.51 C ATOM 1066 CD2 PHE A 69 9.491 17.811 -24.927 1.00 42.12 C ATOM 1067 CE1 PHE A 69 9.838 17.036 -22.302 1.00 11.33 C ATOM 1068 CE2 PHE A 69 9.364 18.739 -23.911 1.00 52.42 C ATOM 1069 CZ PHE A 69 9.536 18.351 -22.597 1.00 2.32 C ATOM 0 H PHE A 69 10.856 13.180 -26.420 1.00 72.20 H new ATOM 0 HA PHE A 69 8.953 14.131 -24.397 1.00 73.35 H new ATOM 0 HB2 PHE A 69 10.991 15.318 -25.951 1.00 10.23 H new ATOM 0 HB3 PHE A 69 9.495 15.892 -26.662 1.00 10.23 H new ATOM 0 HD1 PHE A 69 10.198 15.085 -23.086 1.00 44.51 H new ATOM 0 HD2 PHE A 69 9.353 18.120 -25.953 1.00 42.12 H new ATOM 0 HE1 PHE A 69 9.976 16.730 -21.275 1.00 11.33 H new ATOM 0 HE2 PHE A 69 9.130 19.767 -24.145 1.00 52.42 H new ATOM 0 HZ PHE A 69 9.435 19.074 -21.802 1.00 2.32 H new ATOM 1079 N GLU A 70 6.884 14.376 -25.815 1.00 31.23 N ATOM 1080 CA GLU A 70 5.634 14.253 -26.555 1.00 14.30 C ATOM 1081 C GLU A 70 4.615 15.283 -26.076 1.00 15.21 C ATOM 1082 O GLU A 70 4.112 16.089 -26.860 1.00 45.02 O ATOM 1083 CB GLU A 70 5.060 12.843 -26.402 1.00 24.13 C ATOM 1084 CG GLU A 70 4.223 12.394 -27.588 1.00 22.15 C ATOM 1085 CD GLU A 70 5.025 11.599 -28.600 1.00 51.31 C ATOM 1086 OE1 GLU A 70 6.184 11.978 -28.869 1.00 53.35 O ATOM 1087 OE2 GLU A 70 4.493 10.598 -29.123 1.00 34.31 O ATOM 0 H GLU A 70 6.790 14.808 -24.896 1.00 31.23 H new ATOM 0 HA GLU A 70 5.846 14.438 -27.608 1.00 14.30 H new ATOM 0 HB2 GLU A 70 5.880 12.139 -26.260 1.00 24.13 H new ATOM 0 HB3 GLU A 70 4.448 12.805 -25.501 1.00 24.13 H new ATOM 0 HG2 GLU A 70 3.391 11.787 -27.232 1.00 22.15 H new ATOM 0 HG3 GLU A 70 3.793 13.268 -28.077 1.00 22.15 H new ATOM 1094 N THR A 71 4.312 15.250 -24.782 1.00 4.44 N ATOM 1095 CA THR A 71 3.353 16.178 -24.197 1.00 54.41 C ATOM 1096 C THR A 71 3.745 16.550 -22.772 1.00 31.24 C ATOM 1097 O THR A 71 4.775 16.106 -22.265 1.00 23.11 O ATOM 1098 CB THR A 71 1.931 15.585 -24.188 1.00 42.03 C ATOM 1099 OG1 THR A 71 1.947 14.284 -23.591 1.00 22.15 O ATOM 1100 CG2 THR A 71 1.374 15.493 -25.601 1.00 25.10 C ATOM 0 H THR A 71 4.718 14.590 -24.119 1.00 4.44 H new ATOM 0 HA THR A 71 3.362 17.074 -24.818 1.00 54.41 H new ATOM 0 HB THR A 71 1.290 16.245 -23.604 1.00 42.03 H new ATOM 0 HG1 THR A 71 1.644 14.347 -22.661 1.00 22.15 H new ATOM 0 HG21 THR A 71 0.369 15.071 -25.569 1.00 25.10 H new ATOM 0 HG22 THR A 71 1.336 16.489 -26.043 1.00 25.10 H new ATOM 0 HG23 THR A 71 2.017 14.853 -26.205 1.00 25.10 H new ATOM 1108 N VAL A 72 2.916 17.366 -22.128 1.00 43.34 N ATOM 1109 CA VAL A 72 3.176 17.796 -20.760 1.00 10.05 C ATOM 1110 C VAL A 72 3.474 16.604 -19.857 1.00 13.34 C ATOM 1111 O VAL A 72 4.364 16.661 -19.009 1.00 15.20 O ATOM 1112 CB VAL A 72 1.982 18.579 -20.181 1.00 63.10 C ATOM 1113 CG1 VAL A 72 2.283 19.040 -18.763 1.00 51.31 C ATOM 1114 CG2 VAL A 72 1.639 19.762 -21.074 1.00 35.33 C ATOM 0 H VAL A 72 2.059 17.742 -22.532 1.00 43.34 H new ATOM 0 HA VAL A 72 4.047 18.450 -20.794 1.00 10.05 H new ATOM 0 HB VAL A 72 1.117 17.917 -20.146 1.00 63.10 H new ATOM 0 HG11 VAL A 72 1.428 19.591 -18.371 1.00 51.31 H new ATOM 0 HG12 VAL A 72 2.476 18.173 -18.132 1.00 51.31 H new ATOM 0 HG13 VAL A 72 3.160 19.687 -18.769 1.00 51.31 H new ATOM 0 HG21 VAL A 72 0.794 20.304 -20.651 1.00 35.33 H new ATOM 0 HG22 VAL A 72 2.499 20.428 -21.143 1.00 35.33 H new ATOM 0 HG23 VAL A 72 1.378 19.403 -22.069 1.00 35.33 H new ATOM 1124 N GLY A 73 2.722 15.524 -20.045 1.00 22.42 N ATOM 1125 CA GLY A 73 2.921 14.332 -19.240 1.00 40.41 C ATOM 1126 C GLY A 73 4.379 13.926 -19.156 1.00 50.13 C ATOM 1127 O GLY A 73 4.887 13.633 -18.074 1.00 65.11 O ATOM 0 H GLY A 73 1.979 15.453 -20.740 1.00 22.42 H new ATOM 0 HA2 GLY A 73 2.538 14.508 -18.235 1.00 40.41 H new ATOM 0 HA3 GLY A 73 2.342 13.511 -19.663 1.00 40.41 H new ATOM 1131 N ASP A 74 5.053 13.907 -20.301 1.00 73.20 N ATOM 1132 CA ASP A 74 6.461 13.533 -20.353 1.00 62.50 C ATOM 1133 C ASP A 74 7.305 14.473 -19.499 1.00 4.40 C ATOM 1134 O ASP A 74 8.215 14.039 -18.792 1.00 51.10 O ATOM 1135 CB ASP A 74 6.962 13.548 -21.798 1.00 60.01 C ATOM 1136 CG ASP A 74 6.281 12.501 -22.658 1.00 42.40 C ATOM 1137 OD1 ASP A 74 5.139 12.747 -23.098 1.00 14.04 O ATOM 1138 OD2 ASP A 74 6.891 11.436 -22.891 1.00 15.22 O ATOM 0 H ASP A 74 4.647 14.146 -21.205 1.00 73.20 H new ATOM 0 HA ASP A 74 6.558 12.523 -19.954 1.00 62.50 H new ATOM 0 HB2 ASP A 74 6.791 14.535 -22.228 1.00 60.01 H new ATOM 0 HB3 ASP A 74 8.039 13.378 -21.808 1.00 60.01 H new ATOM 1143 N VAL A 75 6.999 15.765 -19.570 1.00 75.23 N ATOM 1144 CA VAL A 75 7.729 16.767 -18.804 1.00 13.51 C ATOM 1145 C VAL A 75 7.624 16.498 -17.307 1.00 5.31 C ATOM 1146 O VAL A 75 8.612 16.592 -16.578 1.00 1.30 O ATOM 1147 CB VAL A 75 7.207 18.187 -19.097 1.00 24.04 C ATOM 1148 CG1 VAL A 75 8.125 19.231 -18.479 1.00 63.12 C ATOM 1149 CG2 VAL A 75 7.071 18.405 -20.596 1.00 15.11 C ATOM 0 H VAL A 75 6.250 16.142 -20.151 1.00 75.23 H new ATOM 0 HA VAL A 75 8.773 16.701 -19.110 1.00 13.51 H new ATOM 0 HB VAL A 75 6.220 18.293 -18.646 1.00 24.04 H new ATOM 0 HG11 VAL A 75 7.741 20.228 -18.696 1.00 63.12 H new ATOM 0 HG12 VAL A 75 8.167 19.085 -17.400 1.00 63.12 H new ATOM 0 HG13 VAL A 75 9.126 19.129 -18.898 1.00 63.12 H new ATOM 0 HG21 VAL A 75 6.701 19.413 -20.785 1.00 15.11 H new ATOM 0 HG22 VAL A 75 8.044 18.280 -21.072 1.00 15.11 H new ATOM 0 HG23 VAL A 75 6.370 17.678 -21.007 1.00 15.11 H new ATOM 1159 N VAL A 76 6.421 16.162 -16.854 1.00 13.30 N ATOM 1160 CA VAL A 76 6.187 15.877 -15.443 1.00 52.44 C ATOM 1161 C VAL A 76 7.104 14.765 -14.948 1.00 1.22 C ATOM 1162 O VAL A 76 7.750 14.896 -13.909 1.00 42.42 O ATOM 1163 CB VAL A 76 4.723 15.473 -15.188 1.00 32.52 C ATOM 1164 CG1 VAL A 76 4.457 15.345 -13.696 1.00 34.23 C ATOM 1165 CG2 VAL A 76 3.774 16.478 -15.823 1.00 31.41 C ATOM 0 H VAL A 76 5.593 16.080 -17.444 1.00 13.30 H new ATOM 0 HA VAL A 76 6.404 16.793 -14.894 1.00 52.44 H new ATOM 0 HB VAL A 76 4.547 14.501 -15.649 1.00 32.52 H new ATOM 0 HG11 VAL A 76 3.418 15.059 -13.535 1.00 34.23 H new ATOM 0 HG12 VAL A 76 5.113 14.584 -13.274 1.00 34.23 H new ATOM 0 HG13 VAL A 76 4.650 16.301 -13.209 1.00 34.23 H new ATOM 0 HG21 VAL A 76 2.744 16.176 -15.633 1.00 31.41 H new ATOM 0 HG22 VAL A 76 3.948 17.465 -15.394 1.00 31.41 H new ATOM 0 HG23 VAL A 76 3.949 16.514 -16.898 1.00 31.41 H new ATOM 1175 N ASN A 77 7.156 13.670 -15.699 1.00 22.11 N ATOM 1176 CA ASN A 77 7.995 12.533 -15.336 1.00 0.40 C ATOM 1177 C ASN A 77 9.468 12.842 -15.587 1.00 11.42 C ATOM 1178 O ASN A 77 10.352 12.244 -14.974 1.00 21.23 O ATOM 1179 CB ASN A 77 7.580 11.293 -16.130 1.00 23.25 C ATOM 1180 CG ASN A 77 6.091 11.259 -16.413 1.00 50.34 C ATOM 1181 OD1 ASN A 77 5.271 11.390 -15.504 1.00 43.22 O ATOM 1182 ND2 ASN A 77 5.734 11.083 -17.680 1.00 62.14 N ATOM 0 H ASN A 77 6.627 13.546 -16.562 1.00 22.11 H new ATOM 0 HA ASN A 77 7.859 12.338 -14.272 1.00 0.40 H new ATOM 0 HB2 ASN A 77 8.127 11.269 -17.073 1.00 23.25 H new ATOM 0 HB3 ASN A 77 7.862 10.398 -15.575 1.00 23.25 H new ATOM 0 HD21 ASN A 77 4.746 11.052 -17.932 1.00 62.14 H new ATOM 0 HD22 ASN A 77 6.448 10.979 -18.401 1.00 62.14 H new ATOM 1189 N PHE A 78 9.724 13.781 -16.492 1.00 1.22 N ATOM 1190 CA PHE A 78 11.090 14.170 -16.824 1.00 74.05 C ATOM 1191 C PHE A 78 11.737 14.927 -15.668 1.00 74.03 C ATOM 1192 O PHE A 78 12.755 14.498 -15.124 1.00 52.35 O ATOM 1193 CB PHE A 78 11.103 15.035 -18.086 1.00 50.24 C ATOM 1194 CG PHE A 78 11.296 14.248 -19.351 1.00 13.00 C ATOM 1195 CD1 PHE A 78 10.813 12.953 -19.457 1.00 43.40 C ATOM 1196 CD2 PHE A 78 11.959 14.803 -20.434 1.00 33.33 C ATOM 1197 CE1 PHE A 78 10.990 12.227 -20.619 1.00 60.32 C ATOM 1198 CE2 PHE A 78 12.138 14.081 -21.599 1.00 21.12 C ATOM 1199 CZ PHE A 78 11.652 12.792 -21.692 1.00 21.51 C ATOM 0 H PHE A 78 9.004 14.286 -17.008 1.00 1.22 H new ATOM 0 HA PHE A 78 11.665 13.263 -17.007 1.00 74.05 H new ATOM 0 HB2 PHE A 78 10.164 15.585 -18.149 1.00 50.24 H new ATOM 0 HB3 PHE A 78 11.900 15.774 -18.002 1.00 50.24 H new ATOM 0 HD1 PHE A 78 10.293 12.507 -18.622 1.00 43.40 H new ATOM 0 HD2 PHE A 78 12.340 15.811 -20.367 1.00 33.33 H new ATOM 0 HE1 PHE A 78 10.611 11.218 -20.689 1.00 60.32 H new ATOM 0 HE2 PHE A 78 12.657 14.525 -22.436 1.00 21.12 H new ATOM 0 HZ PHE A 78 11.789 12.226 -22.602 1.00 21.51 H new ATOM 1209 N ILE A 79 11.138 16.055 -15.299 1.00 65.51 N ATOM 1210 CA ILE A 79 11.655 16.871 -14.208 1.00 5.01 C ATOM 1211 C ILE A 79 11.638 16.103 -12.891 1.00 11.04 C ATOM 1212 O ILE A 79 12.363 16.438 -11.954 1.00 22.02 O ATOM 1213 CB ILE A 79 10.844 18.170 -14.043 1.00 31.50 C ATOM 1214 CG1 ILE A 79 10.780 18.929 -15.370 1.00 33.41 C ATOM 1215 CG2 ILE A 79 11.455 19.042 -12.957 1.00 22.34 C ATOM 1216 CD1 ILE A 79 10.005 20.225 -15.288 1.00 12.15 C ATOM 0 H ILE A 79 10.295 16.424 -15.739 1.00 65.51 H new ATOM 0 HA ILE A 79 12.684 17.125 -14.464 1.00 5.01 H new ATOM 0 HB ILE A 79 9.828 17.911 -13.745 1.00 31.50 H new ATOM 0 HG12 ILE A 79 11.795 19.142 -15.706 1.00 33.41 H new ATOM 0 HG13 ILE A 79 10.322 18.288 -16.124 1.00 33.41 H new ATOM 0 HG21 ILE A 79 10.871 19.956 -12.853 1.00 22.34 H new ATOM 0 HG22 ILE A 79 11.453 18.500 -12.011 1.00 22.34 H new ATOM 0 HG23 ILE A 79 12.480 19.296 -13.228 1.00 22.34 H new ATOM 0 HD11 ILE A 79 10.001 20.709 -16.265 1.00 12.15 H new ATOM 0 HD12 ILE A 79 8.980 20.017 -14.982 1.00 12.15 H new ATOM 0 HD13 ILE A 79 10.475 20.884 -14.558 1.00 12.15 H new ATOM 1228 N LYS A 80 10.806 15.069 -12.826 1.00 14.41 N ATOM 1229 CA LYS A 80 10.694 14.250 -11.625 1.00 24.11 C ATOM 1230 C LYS A 80 11.974 13.454 -11.389 1.00 3.53 C ATOM 1231 O LYS A 80 12.562 13.510 -10.308 1.00 51.21 O ATOM 1232 CB LYS A 80 9.503 13.297 -11.742 1.00 20.44 C ATOM 1233 CG LYS A 80 8.213 13.864 -11.176 1.00 34.55 C ATOM 1234 CD LYS A 80 7.004 13.062 -11.631 1.00 5.31 C ATOM 1235 CE LYS A 80 7.127 11.598 -11.239 1.00 61.22 C ATOM 1236 NZ LYS A 80 7.454 11.435 -9.796 1.00 3.25 N ATOM 0 H LYS A 80 10.199 14.778 -13.592 1.00 14.41 H new ATOM 0 HA LYS A 80 10.538 14.914 -10.775 1.00 24.11 H new ATOM 0 HB2 LYS A 80 9.350 13.047 -12.792 1.00 20.44 H new ATOM 0 HB3 LYS A 80 9.740 12.368 -11.224 1.00 20.44 H new ATOM 0 HG2 LYS A 80 8.262 13.864 -10.087 1.00 34.55 H new ATOM 0 HG3 LYS A 80 8.102 14.902 -11.491 1.00 34.55 H new ATOM 0 HD2 LYS A 80 6.100 13.483 -11.191 1.00 5.31 H new ATOM 0 HD3 LYS A 80 6.899 13.142 -12.713 1.00 5.31 H new ATOM 0 HE2 LYS A 80 6.192 11.083 -11.460 1.00 61.22 H new ATOM 0 HE3 LYS A 80 7.901 11.124 -11.842 1.00 61.22 H new ATOM 0 HZ1 LYS A 80 7.218 10.468 -9.494 1.00 3.25 H new ATOM 0 HZ2 LYS A 80 8.469 11.606 -9.649 1.00 3.25 H new ATOM 0 HZ3 LYS A 80 6.904 12.117 -9.236 1.00 3.25 H new ATOM 1250 N LYS A 81 12.402 12.715 -12.406 1.00 45.34 N ATOM 1251 CA LYS A 81 13.614 11.910 -12.311 1.00 44.34 C ATOM 1252 C LYS A 81 14.858 12.776 -12.489 1.00 31.22 C ATOM 1253 O LYS A 81 15.951 12.403 -12.062 1.00 12.42 O ATOM 1254 CB LYS A 81 13.598 10.800 -13.365 1.00 1.41 C ATOM 1255 CG LYS A 81 13.468 11.315 -14.788 1.00 61.32 C ATOM 1256 CD LYS A 81 14.824 11.439 -15.462 1.00 62.33 C ATOM 1257 CE LYS A 81 14.693 11.952 -16.888 1.00 70.01 C ATOM 1258 NZ LYS A 81 15.803 11.469 -17.756 1.00 11.33 N ATOM 0 H LYS A 81 11.927 12.657 -13.307 1.00 45.34 H new ATOM 0 HA LYS A 81 13.644 11.460 -11.319 1.00 44.34 H new ATOM 0 HB2 LYS A 81 14.515 10.217 -13.281 1.00 1.41 H new ATOM 0 HB3 LYS A 81 12.770 10.123 -13.155 1.00 1.41 H new ATOM 0 HG2 LYS A 81 12.835 10.640 -15.364 1.00 61.32 H new ATOM 0 HG3 LYS A 81 12.974 12.287 -14.781 1.00 61.32 H new ATOM 0 HD2 LYS A 81 15.456 12.116 -14.887 1.00 62.33 H new ATOM 0 HD3 LYS A 81 15.319 10.468 -15.468 1.00 62.33 H new ATOM 0 HE2 LYS A 81 13.739 11.628 -17.304 1.00 70.01 H new ATOM 0 HE3 LYS A 81 14.684 13.042 -16.882 1.00 70.01 H new ATOM 0 HZ1 LYS A 81 15.677 11.840 -18.719 1.00 11.33 H new ATOM 0 HZ2 LYS A 81 16.712 11.799 -17.373 1.00 11.33 H new ATOM 0 HZ3 LYS A 81 15.796 10.429 -17.782 1.00 11.33 H new ATOM 1272 N ARG A 82 14.683 13.932 -13.120 1.00 1.43 N ATOM 1273 CA ARG A 82 15.791 14.851 -13.353 1.00 24.52 C ATOM 1274 C ARG A 82 16.513 15.174 -12.048 1.00 12.32 C ATOM 1275 O ARG A 82 17.728 15.369 -12.029 1.00 64.22 O ATOM 1276 CB ARG A 82 15.285 16.140 -14.002 1.00 3.13 C ATOM 1277 CG ARG A 82 16.130 16.602 -15.178 1.00 1.43 C ATOM 1278 CD ARG A 82 15.523 16.170 -16.503 1.00 42.44 C ATOM 1279 NE ARG A 82 14.690 17.217 -17.091 1.00 25.51 N ATOM 1280 CZ ARG A 82 15.177 18.242 -17.781 1.00 52.01 C ATOM 1281 NH1 ARG A 82 16.484 18.358 -17.970 1.00 10.23 N ATOM 1282 NH2 ARG A 82 14.355 19.154 -18.285 1.00 32.23 N ATOM 0 H ARG A 82 13.785 14.255 -13.479 1.00 1.43 H new ATOM 0 HA ARG A 82 16.497 14.366 -14.028 1.00 24.52 H new ATOM 0 HB2 ARG A 82 14.260 15.989 -14.339 1.00 3.13 H new ATOM 0 HB3 ARG A 82 15.260 16.930 -13.251 1.00 3.13 H new ATOM 0 HG2 ARG A 82 16.223 17.688 -15.156 1.00 1.43 H new ATOM 0 HG3 ARG A 82 17.136 16.194 -15.087 1.00 1.43 H new ATOM 0 HD2 ARG A 82 16.320 15.908 -17.199 1.00 42.44 H new ATOM 0 HD3 ARG A 82 14.924 15.272 -16.352 1.00 42.44 H new ATOM 0 HE ARG A 82 13.680 17.157 -16.965 1.00 25.51 H new ATOM 0 HH11 ARG A 82 17.119 17.659 -17.585 1.00 10.23 H new ATOM 0 HH12 ARG A 82 16.855 19.146 -18.500 1.00 10.23 H new ATOM 0 HH21 ARG A 82 13.349 19.068 -18.142 1.00 32.23 H new ATOM 0 HH22 ARG A 82 14.730 19.941 -18.815 1.00 32.23 H new ATOM 1296 N LYS A 83 15.755 15.231 -10.958 1.00 4.25 N ATOM 1297 CA LYS A 83 16.321 15.530 -9.647 1.00 51.53 C ATOM 1298 C LYS A 83 16.067 14.386 -8.671 1.00 1.41 C ATOM 1299 O LYS A 83 16.947 14.012 -7.897 1.00 33.52 O ATOM 1300 CB LYS A 83 15.724 16.827 -9.096 1.00 5.52 C ATOM 1301 CG LYS A 83 16.452 17.360 -7.874 1.00 4.41 C ATOM 1302 CD LYS A 83 16.385 18.877 -7.802 1.00 31.32 C ATOM 1303 CE LYS A 83 15.178 19.343 -7.002 1.00 50.45 C ATOM 1304 NZ LYS A 83 15.258 18.918 -5.578 1.00 31.43 N ATOM 0 H LYS A 83 14.747 15.074 -10.956 1.00 4.25 H new ATOM 0 HA LYS A 83 17.398 15.653 -9.763 1.00 51.53 H new ATOM 0 HB2 LYS A 83 15.741 17.586 -9.878 1.00 5.52 H new ATOM 0 HB3 LYS A 83 14.678 16.656 -8.840 1.00 5.52 H new ATOM 0 HG2 LYS A 83 16.013 16.932 -6.973 1.00 4.41 H new ATOM 0 HG3 LYS A 83 17.494 17.042 -7.903 1.00 4.41 H new ATOM 0 HD2 LYS A 83 17.297 19.261 -7.345 1.00 31.32 H new ATOM 0 HD3 LYS A 83 16.336 19.289 -8.810 1.00 31.32 H new ATOM 0 HE2 LYS A 83 15.106 20.429 -7.053 1.00 50.45 H new ATOM 0 HE3 LYS A 83 14.269 18.942 -7.450 1.00 50.45 H new ATOM 0 HZ1 LYS A 83 14.709 19.576 -4.988 1.00 31.43 H new ATOM 0 HZ2 LYS A 83 14.869 17.958 -5.480 1.00 31.43 H new ATOM 0 HZ3 LYS A 83 16.251 18.923 -5.270 1.00 31.43 H new ATOM 1318 N GLY A 84 14.858 13.834 -8.714 1.00 42.32 N ATOM 1319 CA GLY A 84 14.511 12.738 -7.829 1.00 65.43 C ATOM 1320 C GLY A 84 15.035 11.404 -8.326 1.00 12.43 C ATOM 1321 O GLY A 84 15.339 11.251 -9.508 1.00 44.15 O ATOM 0 H GLY A 84 14.113 14.127 -9.346 1.00 42.32 H new ATOM 0 HA2 GLY A 84 14.913 12.936 -6.835 1.00 65.43 H new ATOM 0 HA3 GLY A 84 13.427 12.685 -7.729 1.00 65.43 H new TER 1325 GLY A 84