USER MOD reduce.3.24.130724 H: found=0, std=0, add=1034, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1037 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 65 GLN : amide:sc= 0.0674 K(o=-0.64,f=0.097) USER MOD Set 1.2: A 84 SER OG : rot -66:sc= -0.711 USER MOD Set 2.1: A 29 TYR OH : rot -138:sc= 1.28 USER MOD Set 2.2: A 31 GLN : amide:sc= 0.712 K(o=2,f=-0.39!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.423 X(o=-0.42,f=0) USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= -0.049 (180deg=-0.321) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 1.13 K(o=1.1,f=-2.1!) USER MOD Single : A 24 THR OG1 : rot 145:sc= 1.05 USER MOD Single : A 27 THR OG1 : rot 45:sc= 0.254 USER MOD Single : A 36 ASN : amide:sc= 0.0634 K(o=0.063,f=-4.6!) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 42 SER OG : rot 73:sc= 0.342 USER MOD Single : A 46 ASN : amide:sc= -0.0485 K(o=-0.049,f=-1.1) USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= -0.025 (180deg=-0.176) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -134:sc= -0.0962! (180deg=-0.59) USER MOD Single : A 59 LYS NZ :NH3+ -165:sc=-0.000888 (180deg=-0.127) USER MOD Single : A 61 GLN : amide:sc= -0.542! C(o=-0.54!,f=-11!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -2.01! USER MOD Single : A 73 GLN : amide:sc= -1.42! K(o=-1.4!,f=-0.35) USER MOD Single : A 75 HIS : no HD1:sc= -1.18 K(o=-1.2,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.0369 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -2.23! C(o=-2.2!,f=-5!) USER MOD Single : A 99 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0567) USER MOD Single : A 102 SER OG : rot -19:sc= 1.27 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 0:sc= -0.815 USER MOD Single : A 114 ASN : amide:sc= -0.792 K(o=-0.79,f=-0.27) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.83 USER MOD Single : A 126 SER OG : rot -110:sc= 0.608 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 2 -4.195 15.808 -36.714 1.00 0.00 N ATOM 2 CA LYS A 2 -4.726 15.024 -35.575 1.00 0.00 C ATOM 3 C LYS A 2 -3.802 13.857 -35.263 1.00 0.00 C ATOM 4 O LYS A 2 -2.923 13.528 -36.060 1.00 0.00 O ATOM 5 CB LYS A 2 -6.132 14.505 -35.893 1.00 0.00 C ATOM 6 CG LYS A 2 -7.180 15.599 -35.994 1.00 0.00 C ATOM 7 CD LYS A 2 -7.389 16.298 -34.659 1.00 0.00 C ATOM 8 CE LYS A 2 -8.510 17.323 -34.737 1.00 0.00 C ATOM 9 NZ LYS A 2 -8.812 17.916 -33.407 1.00 0.00 N1+ ATOM 0 HA LYS A 2 -4.781 15.676 -34.703 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.102 13.955 -36.834 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -6.432 13.798 -35.120 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -6.874 16.329 -36.744 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.123 15.170 -36.333 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -7.623 15.559 -33.893 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -6.465 16.790 -34.356 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -8.231 18.114 -35.432 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.407 16.850 -35.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -9.581 18.609 -33.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -9.103 17.164 -32.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -7.963 18.389 -33.037 1.00 0.00 H new ATOM 25 N VAL A 3 -4.008 13.246 -34.096 1.00 0.00 N ATOM 26 CA VAL A 3 -3.181 12.136 -33.627 1.00 0.00 C ATOM 27 C VAL A 3 -1.729 12.575 -33.483 1.00 0.00 C ATOM 28 O VAL A 3 -0.927 12.454 -34.411 1.00 0.00 O ATOM 29 CB VAL A 3 -3.263 10.905 -34.554 1.00 0.00 C ATOM 30 CG1 VAL A 3 -2.468 9.742 -33.976 1.00 0.00 C ATOM 31 CG2 VAL A 3 -4.711 10.500 -34.779 1.00 0.00 C ATOM 0 H VAL A 3 -4.753 13.507 -33.450 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.574 11.842 -32.654 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.827 11.174 -35.516 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.539 8.884 -34.645 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.423 10.033 -33.869 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.872 9.475 -33.000 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.748 9.630 -35.435 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.173 10.253 -33.823 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.252 11.326 -35.241 1.00 0.00 H new ATOM 41 N GLN A 4 -1.410 13.113 -32.324 1.00 0.00 N ATOM 42 CA GLN A 4 -0.069 13.597 -32.051 1.00 0.00 C ATOM 43 C GLN A 4 0.637 12.687 -31.057 1.00 0.00 C ATOM 44 O GLN A 4 0.740 12.996 -29.870 1.00 0.00 O ATOM 45 CB GLN A 4 -0.130 15.035 -31.533 1.00 0.00 C ATOM 46 CG GLN A 4 -0.577 16.029 -32.593 1.00 0.00 C ATOM 47 CD GLN A 4 -1.002 17.370 -32.025 1.00 0.00 C ATOM 48 OE1 GLN A 4 -1.849 18.054 -32.601 1.00 0.00 O ATOM 49 NE2 GLN A 4 -0.438 17.751 -30.891 1.00 0.00 N ATOM 0 H GLN A 4 -2.065 13.227 -31.550 1.00 0.00 H new ATOM 0 HA GLN A 4 0.506 13.587 -32.977 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.815 15.082 -30.687 1.00 0.00 H new ATOM 0 HB3 GLN A 4 0.854 15.324 -31.163 1.00 0.00 H new ATOM 0 HG2 GLN A 4 0.238 16.185 -33.300 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.408 15.601 -33.154 1.00 0.00 H new ATOM 0 HE21 GLN A 4 0.260 17.157 -30.444 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -0.701 18.639 -30.464 1.00 0.00 H new ATOM 58 N GLU A 5 1.124 11.558 -31.553 1.00 0.00 N ATOM 59 CA GLU A 5 1.818 10.591 -30.714 1.00 0.00 C ATOM 60 C GLU A 5 3.304 10.920 -30.653 1.00 0.00 C ATOM 61 O GLU A 5 4.045 10.342 -29.860 1.00 0.00 O ATOM 62 CB GLU A 5 1.605 9.157 -31.228 1.00 0.00 C ATOM 63 CG GLU A 5 2.328 8.830 -32.532 1.00 0.00 C ATOM 64 CD GLU A 5 1.833 9.640 -33.713 1.00 0.00 C ATOM 65 OE1 GLU A 5 0.866 9.211 -34.366 1.00 0.00 O1- ATOM 66 OE2 GLU A 5 2.417 10.711 -33.987 1.00 0.00 O ATOM 0 H GLU A 5 1.051 11.289 -32.534 1.00 0.00 H new ATOM 0 HA GLU A 5 1.401 10.651 -29.709 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.936 8.458 -30.460 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.537 8.992 -31.370 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.396 9.007 -32.401 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.205 7.769 -32.751 1.00 0.00 H new ATOM 73 N GLN A 6 3.722 11.872 -31.482 1.00 0.00 N ATOM 74 CA GLN A 6 5.122 12.289 -31.567 1.00 0.00 C ATOM 75 C GLN A 6 5.673 12.682 -30.195 1.00 0.00 C ATOM 76 O GLN A 6 6.865 12.520 -29.919 1.00 0.00 O ATOM 77 CB GLN A 6 5.251 13.474 -32.528 1.00 0.00 C ATOM 78 CG GLN A 6 4.635 13.220 -33.895 1.00 0.00 C ATOM 79 CD GLN A 6 4.690 14.437 -34.799 1.00 0.00 C ATOM 80 OE1 GLN A 6 4.673 15.576 -34.330 1.00 0.00 O ATOM 81 NE2 GLN A 6 4.742 14.205 -36.099 1.00 0.00 N ATOM 0 H GLN A 6 3.102 12.377 -32.115 1.00 0.00 H new ATOM 0 HA GLN A 6 5.702 11.444 -31.938 1.00 0.00 H new ATOM 0 HB2 GLN A 6 4.775 14.347 -32.081 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.306 13.716 -32.654 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.156 12.392 -34.375 1.00 0.00 H new ATOM 0 HG3 GLN A 6 3.597 12.913 -33.769 1.00 0.00 H new ATOM 0 HE21 GLN A 6 4.754 13.246 -36.446 1.00 0.00 H new ATOM 0 HE22 GLN A 6 4.770 14.985 -36.756 1.00 0.00 H new ATOM 90 N SER A 7 4.792 13.177 -29.334 1.00 0.00 N ATOM 91 CA SER A 7 5.181 13.653 -28.016 1.00 0.00 C ATOM 92 C SER A 7 5.618 12.512 -27.096 1.00 0.00 C ATOM 93 O SER A 7 6.320 12.743 -26.117 1.00 0.00 O ATOM 94 CB SER A 7 4.020 14.423 -27.392 1.00 0.00 C ATOM 95 OG SER A 7 3.542 15.408 -28.290 1.00 0.00 O ATOM 0 H SER A 7 3.794 13.259 -29.530 1.00 0.00 H new ATOM 0 HA SER A 7 6.041 14.312 -28.136 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.215 13.735 -27.135 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.345 14.894 -26.464 1.00 0.00 H new ATOM 0 HG SER A 7 2.797 15.893 -27.878 1.00 0.00 H new ATOM 101 N VAL A 8 5.232 11.278 -27.414 1.00 0.00 N ATOM 102 CA VAL A 8 5.594 10.140 -26.571 1.00 0.00 C ATOM 103 C VAL A 8 7.059 9.765 -26.799 1.00 0.00 C ATOM 104 O VAL A 8 7.634 8.950 -26.072 1.00 0.00 O ATOM 105 CB VAL A 8 4.680 8.913 -26.825 1.00 0.00 C ATOM 106 CG1 VAL A 8 5.104 8.148 -28.073 1.00 0.00 C ATOM 107 CG2 VAL A 8 4.654 7.998 -25.607 1.00 0.00 C ATOM 0 H VAL A 8 4.677 11.042 -28.237 1.00 0.00 H new ATOM 0 HA VAL A 8 5.453 10.441 -25.533 1.00 0.00 H new ATOM 0 HB VAL A 8 3.669 9.283 -26.996 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.441 7.295 -28.220 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.046 8.806 -28.940 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.128 7.795 -27.953 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.007 7.144 -25.807 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.664 7.646 -25.394 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.273 8.548 -24.747 1.00 0.00 H new ATOM 117 N GLY A 9 7.660 10.380 -27.811 1.00 0.00 N ATOM 118 CA GLY A 9 9.060 10.162 -28.091 1.00 0.00 C ATOM 119 C GLY A 9 9.862 11.442 -27.969 1.00 0.00 C ATOM 120 O GLY A 9 10.975 11.537 -28.488 1.00 0.00 O ATOM 0 H GLY A 9 7.195 11.030 -28.445 1.00 0.00 H new ATOM 0 HA2 GLY A 9 9.457 9.417 -27.402 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.171 9.757 -29.097 1.00 0.00 H new ATOM 124 N ALA A 10 9.287 12.430 -27.294 1.00 0.00 N ATOM 125 CA ALA A 10 9.952 13.712 -27.094 1.00 0.00 C ATOM 126 C ALA A 10 10.802 13.700 -25.815 1.00 0.00 C ATOM 127 O ALA A 10 11.984 14.039 -25.860 1.00 0.00 O ATOM 128 CB ALA A 10 8.942 14.854 -27.081 1.00 0.00 C ATOM 0 H ALA A 10 8.359 12.368 -26.875 1.00 0.00 H new ATOM 0 HA ALA A 10 10.626 13.877 -27.934 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.463 15.799 -26.930 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.410 14.880 -28.032 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.229 14.700 -26.271 1.00 0.00 H new ATOM 134 N PRO A 11 10.221 13.336 -24.650 1.00 0.00 N ATOM 135 CA PRO A 11 10.971 13.151 -23.420 1.00 0.00 C ATOM 136 C PRO A 11 11.398 11.694 -23.246 1.00 0.00 C ATOM 137 O PRO A 11 10.552 10.811 -23.095 1.00 0.00 O ATOM 138 CB PRO A 11 9.966 13.552 -22.329 1.00 0.00 C ATOM 139 CG PRO A 11 8.625 13.635 -23.001 1.00 0.00 C ATOM 140 CD PRO A 11 8.798 13.103 -24.399 1.00 0.00 C ATOM 0 HA PRO A 11 11.891 13.735 -23.396 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.953 12.817 -21.524 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.237 14.509 -21.883 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.884 13.051 -22.455 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.267 14.664 -23.022 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.541 12.046 -24.466 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.168 13.630 -25.115 1.00 0.00 H new ATOM 148 N PRO A 12 12.712 11.425 -23.278 1.00 0.00 N ATOM 149 CA PRO A 12 13.248 10.062 -23.176 1.00 0.00 C ATOM 150 C PRO A 12 12.907 9.397 -21.843 1.00 0.00 C ATOM 151 O PRO A 12 13.402 9.804 -20.790 1.00 0.00 O ATOM 152 CB PRO A 12 14.767 10.254 -23.298 1.00 0.00 C ATOM 153 CG PRO A 12 14.947 11.611 -23.889 1.00 0.00 C ATOM 154 CD PRO A 12 13.781 12.426 -23.413 1.00 0.00 C ATOM 0 HA PRO A 12 12.825 9.409 -23.940 1.00 0.00 H new ATOM 0 HB2 PRO A 12 15.252 10.182 -22.324 1.00 0.00 H new ATOM 0 HB3 PRO A 12 15.211 9.487 -23.933 1.00 0.00 H new ATOM 0 HG2 PRO A 12 15.890 12.054 -23.569 1.00 0.00 H new ATOM 0 HG3 PRO A 12 14.971 11.563 -24.978 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.994 12.920 -22.465 1.00 0.00 H new ATOM 0 HD3 PRO A 12 13.516 13.206 -24.126 1.00 0.00 H new ATOM 162 N PRO A 13 12.059 8.356 -21.876 1.00 0.00 N ATOM 163 CA PRO A 13 11.644 7.638 -20.669 1.00 0.00 C ATOM 164 C PRO A 13 12.746 6.729 -20.132 1.00 0.00 C ATOM 165 O PRO A 13 12.722 6.320 -18.971 1.00 0.00 O ATOM 166 CB PRO A 13 10.448 6.813 -21.142 1.00 0.00 C ATOM 167 CG PRO A 13 10.690 6.590 -22.595 1.00 0.00 C ATOM 168 CD PRO A 13 11.432 7.802 -23.093 1.00 0.00 C ATOM 0 HA PRO A 13 11.410 8.316 -19.848 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.381 5.868 -20.603 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.511 7.343 -20.974 1.00 0.00 H new ATOM 0 HG2 PRO A 13 11.273 5.684 -22.757 1.00 0.00 H new ATOM 0 HG3 PRO A 13 9.749 6.463 -23.131 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.178 7.535 -23.841 1.00 0.00 H new ATOM 0 HD3 PRO A 13 10.757 8.521 -23.558 1.00 0.00 H new ATOM 176 N GLY A 14 13.710 6.421 -20.984 1.00 0.00 N ATOM 177 CA GLY A 14 14.810 5.575 -20.583 1.00 0.00 C ATOM 178 C GLY A 14 14.724 4.202 -21.211 1.00 0.00 C ATOM 179 O GLY A 14 14.097 4.032 -22.258 1.00 0.00 O ATOM 0 H GLY A 14 13.749 6.744 -21.951 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.752 6.045 -20.866 1.00 0.00 H new ATOM 0 HA3 GLY A 14 14.816 5.478 -19.497 1.00 0.00 H new ATOM 183 N ARG A 15 15.341 3.224 -20.570 1.00 0.00 N ATOM 184 CA ARG A 15 15.355 1.862 -21.085 1.00 0.00 C ATOM 185 C ARG A 15 14.179 1.066 -20.536 1.00 0.00 C ATOM 186 O ARG A 15 13.716 1.316 -19.422 1.00 0.00 O ATOM 187 CB ARG A 15 16.658 1.159 -20.706 1.00 0.00 C ATOM 188 CG ARG A 15 17.914 1.827 -21.241 1.00 0.00 C ATOM 189 CD ARG A 15 17.934 1.875 -22.761 1.00 0.00 C ATOM 190 NE ARG A 15 19.299 1.854 -23.278 1.00 0.00 N ATOM 191 CZ ARG A 15 19.712 2.529 -24.347 1.00 0.00 C ATOM 192 NH1 ARG A 15 18.888 3.351 -24.988 1.00 0.00 N1+ ATOM 193 NH2 ARG A 15 20.959 2.384 -24.772 1.00 0.00 N ATOM 0 H ARG A 15 15.841 3.347 -19.689 1.00 0.00 H new ATOM 0 HA ARG A 15 15.275 1.916 -22.171 1.00 0.00 H new ATOM 0 HB2 ARG A 15 16.725 1.106 -19.619 1.00 0.00 H new ATOM 0 HB3 ARG A 15 16.623 0.133 -21.073 1.00 0.00 H new ATOM 0 HG2 ARG A 15 17.981 2.841 -20.846 1.00 0.00 H new ATOM 0 HG3 ARG A 15 18.791 1.287 -20.884 1.00 0.00 H new ATOM 0 HD2 ARG A 15 17.379 1.026 -23.160 1.00 0.00 H new ATOM 0 HD3 ARG A 15 17.427 2.777 -23.104 1.00 0.00 H new ATOM 0 HE ARG A 15 19.984 1.281 -22.785 1.00 0.00 H new ATOM 0 HH11 ARG A 15 17.929 3.469 -24.661 1.00 0.00 H new ATOM 0 HH12 ARG A 15 19.214 3.864 -25.807 1.00 0.00 H new ATOM 0 HH21 ARG A 15 21.596 1.757 -24.280 1.00 0.00 H new ATOM 0 HH22 ARG A 15 21.282 2.899 -25.591 1.00 0.00 H new ATOM 207 N ALA A 16 13.709 0.101 -21.312 1.00 0.00 N ATOM 208 CA ALA A 16 12.616 -0.760 -20.884 1.00 0.00 C ATOM 209 C ALA A 16 13.043 -2.221 -20.933 1.00 0.00 C ATOM 210 O ALA A 16 12.216 -3.131 -20.886 1.00 0.00 O ATOM 211 CB ALA A 16 11.391 -0.529 -21.756 1.00 0.00 C ATOM 0 H ALA A 16 14.068 -0.106 -22.244 1.00 0.00 H new ATOM 0 HA ALA A 16 12.357 -0.513 -19.854 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.581 -1.179 -21.425 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.077 0.512 -21.674 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.636 -0.754 -22.794 1.00 0.00 H new ATOM 217 N ASP A 17 14.345 -2.435 -21.025 1.00 0.00 N ATOM 218 CA ASP A 17 14.903 -3.775 -21.107 1.00 0.00 C ATOM 219 C ASP A 17 16.187 -3.853 -20.298 1.00 0.00 C ATOM 220 O ASP A 17 16.914 -2.860 -20.188 1.00 0.00 O ATOM 221 CB ASP A 17 15.176 -4.157 -22.567 1.00 0.00 C ATOM 222 CG ASP A 17 16.289 -3.339 -23.197 1.00 0.00 C ATOM 223 OD1 ASP A 17 16.137 -2.105 -23.319 1.00 0.00 O ATOM 224 OD2 ASP A 17 17.316 -3.934 -23.593 1.00 0.00 O1- ATOM 0 H ASP A 17 15.041 -1.690 -21.045 1.00 0.00 H new ATOM 0 HA ASP A 17 14.179 -4.479 -20.696 1.00 0.00 H new ATOM 0 HB2 ASP A 17 15.437 -5.214 -22.617 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.263 -4.026 -23.148 1.00 0.00 H new ATOM 229 N LYS A 18 16.456 -5.030 -19.733 1.00 0.00 N ATOM 230 CA LYS A 18 17.620 -5.242 -18.873 1.00 0.00 C ATOM 231 C LYS A 18 17.629 -4.225 -17.737 1.00 0.00 C ATOM 232 O LYS A 18 18.529 -3.384 -17.641 1.00 0.00 O ATOM 233 CB LYS A 18 18.921 -5.158 -19.683 1.00 0.00 C ATOM 234 CG LYS A 18 19.058 -6.255 -20.725 1.00 0.00 C ATOM 235 CD LYS A 18 19.137 -7.631 -20.080 1.00 0.00 C ATOM 236 CE LYS A 18 19.132 -8.746 -21.113 1.00 0.00 C ATOM 237 NZ LYS A 18 17.880 -8.755 -21.915 1.00 0.00 N1+ ATOM 0 H LYS A 18 15.876 -5.860 -19.858 1.00 0.00 H new ATOM 0 HA LYS A 18 17.553 -6.242 -18.445 1.00 0.00 H new ATOM 0 HB2 LYS A 18 18.969 -4.189 -20.179 1.00 0.00 H new ATOM 0 HB3 LYS A 18 19.769 -5.209 -19.000 1.00 0.00 H new ATOM 0 HG2 LYS A 18 18.208 -6.220 -21.406 1.00 0.00 H new ATOM 0 HG3 LYS A 18 19.953 -6.081 -21.323 1.00 0.00 H new ATOM 0 HD2 LYS A 18 20.044 -7.698 -19.479 1.00 0.00 H new ATOM 0 HD3 LYS A 18 18.294 -7.762 -19.401 1.00 0.00 H new ATOM 0 HE2 LYS A 18 19.988 -8.628 -21.778 1.00 0.00 H new ATOM 0 HE3 LYS A 18 19.248 -9.706 -20.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.781 -9.673 -22.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.065 -8.603 -21.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.917 -7.996 -22.625 1.00 0.00 H new ATOM 251 N THR A 19 16.622 -4.311 -16.880 1.00 0.00 N ATOM 252 CA THR A 19 16.436 -3.349 -15.807 1.00 0.00 C ATOM 253 C THR A 19 17.331 -3.685 -14.613 1.00 0.00 C ATOM 254 O THR A 19 16.861 -4.093 -13.548 1.00 0.00 O ATOM 255 CB THR A 19 14.957 -3.302 -15.369 1.00 0.00 C ATOM 256 OG1 THR A 19 14.113 -3.236 -16.531 1.00 0.00 O ATOM 257 CG2 THR A 19 14.689 -2.093 -14.482 1.00 0.00 C ATOM 0 H THR A 19 15.915 -5.046 -16.909 1.00 0.00 H new ATOM 0 HA THR A 19 16.719 -2.366 -16.183 1.00 0.00 H new ATOM 0 HB THR A 19 14.739 -4.206 -14.800 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.174 -3.208 -16.252 1.00 0.00 H new ATOM 0 HG21 THR A 19 13.640 -2.083 -14.187 1.00 0.00 H new ATOM 0 HG22 THR A 19 15.315 -2.149 -13.592 1.00 0.00 H new ATOM 0 HG23 THR A 19 14.920 -1.180 -15.031 1.00 0.00 H new ATOM 265 N ALA A 20 18.629 -3.520 -14.805 1.00 0.00 N ATOM 266 CA ALA A 20 19.598 -3.750 -13.746 1.00 0.00 C ATOM 267 C ALA A 20 20.294 -2.450 -13.385 1.00 0.00 C ATOM 268 O ALA A 20 21.520 -2.351 -13.409 1.00 0.00 O ATOM 269 CB ALA A 20 20.604 -4.811 -14.167 1.00 0.00 C ATOM 0 H ALA A 20 19.039 -3.225 -15.691 1.00 0.00 H new ATOM 0 HA ALA A 20 19.076 -4.116 -12.862 1.00 0.00 H new ATOM 0 HB1 ALA A 20 21.322 -4.971 -13.363 1.00 0.00 H new ATOM 0 HB2 ALA A 20 20.082 -5.744 -14.378 1.00 0.00 H new ATOM 0 HB3 ALA A 20 21.130 -4.479 -15.062 1.00 0.00 H new ATOM 275 N ALA A 21 19.490 -1.452 -13.060 1.00 0.00 N ATOM 276 CA ALA A 21 19.991 -0.155 -12.651 1.00 0.00 C ATOM 277 C ALA A 21 20.501 -0.223 -11.213 1.00 0.00 C ATOM 278 O ALA A 21 20.214 -1.195 -10.515 1.00 0.00 O ATOM 279 CB ALA A 21 18.892 0.892 -12.799 1.00 0.00 C ATOM 0 H ALA A 21 18.472 -1.520 -13.073 1.00 0.00 H new ATOM 0 HA ALA A 21 20.825 0.133 -13.291 1.00 0.00 H new ATOM 0 HB1 ALA A 21 19.273 1.866 -12.490 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.573 0.940 -13.840 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.043 0.619 -12.172 1.00 0.00 H new ATOM 285 N PRO A 22 21.270 0.778 -10.751 1.00 0.00 N ATOM 286 CA PRO A 22 21.861 0.791 -9.406 1.00 0.00 C ATOM 287 C PRO A 22 20.905 0.333 -8.293 1.00 0.00 C ATOM 288 O PRO A 22 21.317 -0.351 -7.355 1.00 0.00 O ATOM 289 CB PRO A 22 22.250 2.267 -9.194 1.00 0.00 C ATOM 290 CG PRO A 22 21.789 3.002 -10.413 1.00 0.00 C ATOM 291 CD PRO A 22 21.658 1.977 -11.498 1.00 0.00 C ATOM 0 HA PRO A 22 22.693 0.089 -9.348 1.00 0.00 H new ATOM 0 HB2 PRO A 22 21.779 2.668 -8.297 1.00 0.00 H new ATOM 0 HB3 PRO A 22 23.327 2.370 -9.062 1.00 0.00 H new ATOM 0 HG2 PRO A 22 20.836 3.499 -10.230 1.00 0.00 H new ATOM 0 HG3 PRO A 22 22.503 3.776 -10.694 1.00 0.00 H new ATOM 0 HD2 PRO A 22 20.905 2.258 -12.234 1.00 0.00 H new ATOM 0 HD3 PRO A 22 22.594 1.834 -12.038 1.00 0.00 H new ATOM 299 N GLN A 23 19.630 0.686 -8.405 1.00 0.00 N ATOM 300 CA GLN A 23 18.680 0.424 -7.331 1.00 0.00 C ATOM 301 C GLN A 23 17.938 -0.899 -7.508 1.00 0.00 C ATOM 302 O GLN A 23 17.405 -1.437 -6.541 1.00 0.00 O ATOM 303 CB GLN A 23 17.672 1.568 -7.210 1.00 0.00 C ATOM 304 CG GLN A 23 18.316 2.926 -6.986 1.00 0.00 C ATOM 305 CD GLN A 23 17.294 4.027 -6.782 1.00 0.00 C ATOM 306 OE1 GLN A 23 16.906 4.330 -5.656 1.00 0.00 O ATOM 307 NE2 GLN A 23 16.850 4.628 -7.872 1.00 0.00 N ATOM 0 H GLN A 23 19.233 1.151 -9.221 1.00 0.00 H new ATOM 0 HA GLN A 23 19.265 0.351 -6.414 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.069 1.607 -8.117 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.993 1.357 -6.384 1.00 0.00 H new ATOM 0 HG2 GLN A 23 18.969 2.875 -6.115 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.944 3.172 -7.842 1.00 0.00 H new ATOM 0 HE21 GLN A 23 17.199 4.346 -8.788 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.159 5.374 -7.797 1.00 0.00 H new ATOM 316 N THR A 24 17.913 -1.452 -8.712 1.00 0.00 N ATOM 317 CA THR A 24 17.171 -2.683 -8.931 1.00 0.00 C ATOM 318 C THR A 24 18.059 -3.900 -8.676 1.00 0.00 C ATOM 319 O THR A 24 18.081 -4.854 -9.456 1.00 0.00 O ATOM 320 CB THR A 24 16.554 -2.747 -10.346 1.00 0.00 C ATOM 321 OG1 THR A 24 17.557 -2.538 -11.343 1.00 0.00 O ATOM 322 CG2 THR A 24 15.456 -1.704 -10.507 1.00 0.00 C ATOM 0 H THR A 24 18.386 -1.078 -9.534 1.00 0.00 H new ATOM 0 HA THR A 24 16.346 -2.693 -8.218 1.00 0.00 H new ATOM 0 HB THR A 24 16.122 -3.739 -10.474 1.00 0.00 H new ATOM 0 HG1 THR A 24 17.354 -3.085 -12.131 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.037 -1.769 -11.511 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.670 -1.886 -9.774 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.874 -0.709 -10.352 1.00 0.00 H new ATOM 330 N ARG A 25 18.802 -3.850 -7.574 1.00 0.00 N ATOM 331 CA ARG A 25 19.657 -4.960 -7.179 1.00 0.00 C ATOM 332 C ARG A 25 18.854 -5.977 -6.378 1.00 0.00 C ATOM 333 O ARG A 25 18.467 -7.023 -6.895 1.00 0.00 O ATOM 334 CB ARG A 25 20.839 -4.472 -6.342 1.00 0.00 C ATOM 335 CG ARG A 25 21.673 -3.397 -7.010 1.00 0.00 C ATOM 336 CD ARG A 25 22.274 -3.883 -8.318 1.00 0.00 C ATOM 337 NE ARG A 25 23.185 -2.902 -8.904 1.00 0.00 N ATOM 338 CZ ARG A 25 23.448 -2.820 -10.207 1.00 0.00 C ATOM 339 NH1 ARG A 25 22.837 -3.630 -11.061 1.00 0.00 N1+ ATOM 340 NH2 ARG A 25 24.323 -1.928 -10.656 1.00 0.00 N ATOM 0 H ARG A 25 18.828 -3.051 -6.940 1.00 0.00 H new ATOM 0 HA ARG A 25 20.042 -5.428 -8.085 1.00 0.00 H new ATOM 0 HB2 ARG A 25 20.464 -4.088 -5.394 1.00 0.00 H new ATOM 0 HB3 ARG A 25 21.481 -5.322 -6.110 1.00 0.00 H new ATOM 0 HG2 ARG A 25 21.053 -2.520 -7.198 1.00 0.00 H new ATOM 0 HG3 ARG A 25 22.471 -3.085 -6.337 1.00 0.00 H new ATOM 0 HD2 ARG A 25 22.810 -4.816 -8.145 1.00 0.00 H new ATOM 0 HD3 ARG A 25 21.474 -4.101 -9.025 1.00 0.00 H new ATOM 0 HE ARG A 25 23.646 -2.241 -8.279 1.00 0.00 H new ATOM 0 HH11 ARG A 25 22.165 -4.317 -10.720 1.00 0.00 H new ATOM 0 HH12 ARG A 25 23.040 -3.566 -12.059 1.00 0.00 H new ATOM 0 HH21 ARG A 25 24.796 -1.304 -10.002 1.00 0.00 H new ATOM 0 HH22 ARG A 25 24.523 -1.867 -11.654 1.00 0.00 H new ATOM 354 N LEU A 26 18.592 -5.653 -5.120 1.00 0.00 N ATOM 355 CA LEU A 26 17.813 -6.531 -4.256 1.00 0.00 C ATOM 356 C LEU A 26 16.751 -5.728 -3.517 1.00 0.00 C ATOM 357 O LEU A 26 16.177 -6.174 -2.523 1.00 0.00 O ATOM 358 CB LEU A 26 18.732 -7.262 -3.269 1.00 0.00 C ATOM 359 CG LEU A 26 18.077 -8.389 -2.465 1.00 0.00 C ATOM 360 CD1 LEU A 26 17.554 -9.478 -3.393 1.00 0.00 C ATOM 361 CD2 LEU A 26 19.063 -8.968 -1.465 1.00 0.00 C ATOM 0 H LEU A 26 18.906 -4.791 -4.675 1.00 0.00 H new ATOM 0 HA LEU A 26 17.313 -7.280 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 26 19.574 -7.677 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 26 19.140 -6.531 -2.571 1.00 0.00 H new ATOM 0 HG LEU A 26 17.232 -7.974 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 26 17.093 -10.269 -2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.814 -9.053 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 26 18.381 -9.892 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 26 18.582 -9.768 -0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 26 19.928 -9.367 -1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.388 -8.185 -0.779 1.00 0.00 H new ATOM 373 N THR A 27 16.480 -4.542 -4.026 1.00 0.00 N ATOM 374 CA THR A 27 15.478 -3.669 -3.437 1.00 0.00 C ATOM 375 C THR A 27 14.457 -3.188 -4.476 1.00 0.00 C ATOM 376 O THR A 27 14.334 -1.988 -4.730 1.00 0.00 O ATOM 377 CB THR A 27 16.154 -2.457 -2.770 1.00 0.00 C ATOM 378 OG1 THR A 27 17.213 -1.971 -3.606 1.00 0.00 O ATOM 379 CG2 THR A 27 16.713 -2.828 -1.404 1.00 0.00 C ATOM 0 H THR A 27 16.941 -4.157 -4.850 1.00 0.00 H new ATOM 0 HA THR A 27 14.942 -4.248 -2.685 1.00 0.00 H new ATOM 0 HB THR A 27 15.403 -1.678 -2.637 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.903 -1.927 -4.535 1.00 0.00 H new ATOM 0 HG21 THR A 27 17.185 -1.954 -0.955 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.903 -3.174 -0.761 1.00 0.00 H new ATOM 0 HG23 THR A 27 17.451 -3.622 -1.516 1.00 0.00 H new ATOM 387 N PRO A 28 13.698 -4.115 -5.093 1.00 0.00 N ATOM 388 CA PRO A 28 12.684 -3.782 -6.077 1.00 0.00 C ATOM 389 C PRO A 28 11.289 -3.722 -5.463 1.00 0.00 C ATOM 390 O PRO A 28 10.286 -3.951 -6.143 1.00 0.00 O ATOM 391 CB PRO A 28 12.794 -4.954 -7.050 1.00 0.00 C ATOM 392 CG PRO A 28 13.242 -6.119 -6.217 1.00 0.00 C ATOM 393 CD PRO A 28 13.761 -5.571 -4.904 1.00 0.00 C ATOM 0 HA PRO A 28 12.831 -2.802 -6.531 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.837 -5.158 -7.530 1.00 0.00 H new ATOM 0 HB3 PRO A 28 13.509 -4.740 -7.844 1.00 0.00 H new ATOM 0 HG2 PRO A 28 12.414 -6.807 -6.044 1.00 0.00 H new ATOM 0 HG3 PRO A 28 14.021 -6.681 -6.732 1.00 0.00 H new ATOM 0 HD2 PRO A 28 13.147 -5.894 -4.063 1.00 0.00 H new ATOM 0 HD3 PRO A 28 14.778 -5.906 -4.703 1.00 0.00 H new ATOM 401 N TYR A 29 11.233 -3.419 -4.176 1.00 0.00 N ATOM 402 CA TYR A 29 9.974 -3.390 -3.451 1.00 0.00 C ATOM 403 C TYR A 29 9.820 -2.064 -2.710 1.00 0.00 C ATOM 404 O TYR A 29 10.415 -1.853 -1.652 1.00 0.00 O ATOM 405 CB TYR A 29 9.914 -4.573 -2.479 1.00 0.00 C ATOM 406 CG TYR A 29 8.601 -4.713 -1.742 1.00 0.00 C ATOM 407 CD1 TYR A 29 7.388 -4.615 -2.412 1.00 0.00 C ATOM 408 CD2 TYR A 29 8.578 -4.946 -0.373 1.00 0.00 C ATOM 409 CE1 TYR A 29 6.189 -4.743 -1.737 1.00 0.00 C ATOM 410 CE2 TYR A 29 7.385 -5.076 0.307 1.00 0.00 C ATOM 411 CZ TYR A 29 6.195 -4.975 -0.377 1.00 0.00 C ATOM 412 OH TYR A 29 5.003 -5.099 0.306 1.00 0.00 O ATOM 0 H TYR A 29 12.050 -3.189 -3.610 1.00 0.00 H new ATOM 0 HA TYR A 29 9.148 -3.477 -4.157 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.105 -5.492 -3.033 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.717 -4.468 -1.749 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.382 -4.436 -3.477 1.00 0.00 H new ATOM 0 HD2 TYR A 29 9.509 -5.027 0.168 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.253 -4.662 -2.271 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.385 -5.256 1.372 1.00 0.00 H new ATOM 0 HH TYR A 29 5.064 -4.621 1.159 1.00 0.00 H new ATOM 422 N ALA A 30 9.023 -1.173 -3.277 1.00 0.00 N ATOM 423 CA ALA A 30 8.850 0.168 -2.731 1.00 0.00 C ATOM 424 C ALA A 30 7.838 0.195 -1.585 1.00 0.00 C ATOM 425 O ALA A 30 6.856 0.935 -1.628 1.00 0.00 O ATOM 426 CB ALA A 30 8.433 1.122 -3.835 1.00 0.00 C ATOM 0 H ALA A 30 8.481 -1.354 -4.122 1.00 0.00 H new ATOM 0 HA ALA A 30 9.807 0.488 -2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.305 2.123 -3.422 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.202 1.144 -4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.492 0.786 -4.270 1.00 0.00 H new ATOM 432 N GLN A 31 8.086 -0.613 -0.561 1.00 0.00 N ATOM 433 CA GLN A 31 7.236 -0.641 0.620 1.00 0.00 C ATOM 434 C GLN A 31 7.979 -1.311 1.769 1.00 0.00 C ATOM 435 O GLN A 31 8.206 -2.517 1.755 1.00 0.00 O ATOM 436 CB GLN A 31 5.916 -1.369 0.318 1.00 0.00 C ATOM 437 CG GLN A 31 4.854 -1.213 1.402 1.00 0.00 C ATOM 438 CD GLN A 31 4.992 -2.216 2.535 1.00 0.00 C ATOM 439 OE1 GLN A 31 5.428 -3.346 2.331 1.00 0.00 O ATOM 440 NE2 GLN A 31 4.624 -1.806 3.737 1.00 0.00 N ATOM 0 H GLN A 31 8.874 -1.260 -0.526 1.00 0.00 H new ATOM 0 HA GLN A 31 6.992 0.381 0.910 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.515 -0.995 -0.624 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.123 -2.430 0.178 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.910 -0.204 1.812 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.867 -1.320 0.951 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.267 -0.859 3.866 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.698 -2.436 4.536 1.00 0.00 H new ATOM 449 N ALA A 32 8.376 -0.519 2.752 1.00 0.00 N ATOM 450 CA ALA A 32 9.106 -1.039 3.898 1.00 0.00 C ATOM 451 C ALA A 32 8.796 -0.221 5.142 1.00 0.00 C ATOM 452 O ALA A 32 8.474 0.965 5.049 1.00 0.00 O ATOM 453 CB ALA A 32 10.603 -1.035 3.616 1.00 0.00 C ATOM 0 H ALA A 32 8.205 0.486 2.780 1.00 0.00 H new ATOM 0 HA ALA A 32 8.789 -2.067 4.075 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.137 -1.426 4.482 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.811 -1.660 2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.933 -0.015 3.417 1.00 0.00 H new ATOM 459 N GLY A 33 8.872 -0.857 6.301 1.00 0.00 N ATOM 460 CA GLY A 33 8.641 -0.152 7.542 1.00 0.00 C ATOM 461 C GLY A 33 7.671 -0.871 8.451 1.00 0.00 C ATOM 462 O GLY A 33 7.649 -2.105 8.510 1.00 0.00 O ATOM 0 H GLY A 33 9.089 -1.848 6.403 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.590 -0.020 8.062 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.257 0.844 7.323 1.00 0.00 H new ATOM 466 N GLU A 34 6.866 -0.092 9.152 1.00 0.00 N ATOM 467 CA GLU A 34 5.927 -0.618 10.124 1.00 0.00 C ATOM 468 C GLU A 34 4.498 -0.368 9.649 1.00 0.00 C ATOM 469 O GLU A 34 4.233 0.612 8.946 1.00 0.00 O ATOM 470 CB GLU A 34 6.173 0.056 11.477 1.00 0.00 C ATOM 471 CG GLU A 34 5.527 -0.652 12.657 1.00 0.00 C ATOM 472 CD GLU A 34 5.837 0.024 13.977 1.00 0.00 C ATOM 473 OE1 GLU A 34 7.020 0.039 14.381 1.00 0.00 O1- ATOM 474 OE2 GLU A 34 4.901 0.555 14.613 1.00 0.00 O ATOM 0 H GLU A 34 6.846 0.924 9.062 1.00 0.00 H new ATOM 0 HA GLU A 34 6.069 -1.693 10.233 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.248 0.117 11.649 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.799 1.079 11.433 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.447 -0.682 12.512 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.873 -1.685 12.691 1.00 0.00 H new ATOM 481 N ASP A 35 3.578 -1.246 10.028 1.00 0.00 N ATOM 482 CA ASP A 35 2.191 -1.131 9.582 1.00 0.00 C ATOM 483 C ASP A 35 1.430 -0.124 10.437 1.00 0.00 C ATOM 484 O ASP A 35 0.560 -0.479 11.231 1.00 0.00 O ATOM 485 CB ASP A 35 1.491 -2.495 9.606 1.00 0.00 C ATOM 486 CG ASP A 35 0.082 -2.437 9.034 1.00 0.00 C ATOM 487 OD1 ASP A 35 -0.133 -1.708 8.040 1.00 0.00 O1- ATOM 488 OD2 ASP A 35 -0.814 -3.125 9.571 1.00 0.00 O ATOM 0 H ASP A 35 3.763 -2.041 10.639 1.00 0.00 H new ATOM 0 HA ASP A 35 2.199 -0.772 8.553 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.081 -3.213 9.037 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.448 -2.860 10.632 1.00 0.00 H new ATOM 493 N ASN A 36 1.803 1.136 10.293 1.00 0.00 N ATOM 494 CA ASN A 36 1.106 2.236 10.949 1.00 0.00 C ATOM 495 C ASN A 36 0.553 3.185 9.894 1.00 0.00 C ATOM 496 O ASN A 36 -0.312 4.010 10.161 1.00 0.00 O ATOM 497 CB ASN A 36 2.061 2.978 11.900 1.00 0.00 C ATOM 498 CG ASN A 36 1.490 4.285 12.439 1.00 0.00 C ATOM 499 OD1 ASN A 36 1.724 5.359 11.880 1.00 0.00 O ATOM 500 ND2 ASN A 36 0.737 4.207 13.522 1.00 0.00 N ATOM 0 H ASN A 36 2.595 1.428 9.720 1.00 0.00 H new ATOM 0 HA ASN A 36 0.279 1.841 11.539 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.306 2.325 12.738 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.993 3.187 11.375 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.329 5.052 13.921 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.564 3.302 13.959 1.00 0.00 H new ATOM 507 N TRP A 37 1.036 3.021 8.672 1.00 0.00 N ATOM 508 CA TRP A 37 0.717 3.941 7.592 1.00 0.00 C ATOM 509 C TRP A 37 -0.710 3.761 7.070 1.00 0.00 C ATOM 510 O TRP A 37 -1.258 4.678 6.462 1.00 0.00 O ATOM 511 CB TRP A 37 1.729 3.802 6.448 1.00 0.00 C ATOM 512 CG TRP A 37 1.798 2.435 5.833 1.00 0.00 C ATOM 513 CD1 TRP A 37 1.827 1.231 6.477 1.00 0.00 C ATOM 514 CD2 TRP A 37 1.882 2.145 4.439 1.00 0.00 C ATOM 515 NE1 TRP A 37 1.904 0.211 5.567 1.00 0.00 N ATOM 516 CE2 TRP A 37 1.946 0.746 4.307 1.00 0.00 C ATOM 517 CE3 TRP A 37 1.907 2.935 3.288 1.00 0.00 C ATOM 518 CZ2 TRP A 37 2.030 0.122 3.070 1.00 0.00 C ATOM 519 CZ3 TRP A 37 1.992 2.314 2.060 1.00 0.00 C ATOM 520 CH2 TRP A 37 2.055 0.921 1.960 1.00 0.00 C ATOM 0 H TRP A 37 1.654 2.255 8.403 1.00 0.00 H new ATOM 0 HA TRP A 37 0.781 4.948 8.004 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.478 4.523 5.670 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.718 4.067 6.822 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.794 1.102 7.549 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.926 -0.784 5.791 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.861 4.012 3.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.074 -0.954 2.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.010 2.913 1.161 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.125 0.465 0.983 1.00 0.00 H new ATOM 531 N ARG A 38 -1.331 2.607 7.322 1.00 0.00 N ATOM 532 CA ARG A 38 -2.676 2.361 6.798 1.00 0.00 C ATOM 533 C ARG A 38 -3.703 3.265 7.470 1.00 0.00 C ATOM 534 O ARG A 38 -4.618 3.758 6.816 1.00 0.00 O ATOM 535 CB ARG A 38 -3.107 0.893 6.934 1.00 0.00 C ATOM 536 CG ARG A 38 -3.160 0.371 8.362 1.00 0.00 C ATOM 537 CD ARG A 38 -4.212 -0.724 8.515 1.00 0.00 C ATOM 538 NE ARG A 38 -3.996 -1.847 7.600 1.00 0.00 N ATOM 539 CZ ARG A 38 -4.981 -2.556 7.038 1.00 0.00 C ATOM 540 NH1 ARG A 38 -6.256 -2.277 7.299 1.00 0.00 N1+ ATOM 541 NH2 ARG A 38 -4.689 -3.553 6.220 1.00 0.00 N ATOM 0 H ARG A 38 -0.936 1.844 7.872 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.633 2.594 5.734 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.092 0.775 6.483 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.418 0.273 6.361 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.182 -0.019 8.645 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.385 1.192 9.043 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.203 -1.090 9.542 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.200 -0.300 8.337 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.034 -2.104 7.377 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.492 -1.515 7.934 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.998 -2.826 6.864 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.715 -3.779 6.019 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.438 -4.096 5.790 1.00 0.00 H new ATOM 555 N SER A 39 -3.538 3.500 8.766 1.00 0.00 N ATOM 556 CA SER A 39 -4.451 4.362 9.495 1.00 0.00 C ATOM 557 C SER A 39 -4.279 5.803 9.034 1.00 0.00 C ATOM 558 O SER A 39 -5.230 6.587 9.013 1.00 0.00 O ATOM 559 CB SER A 39 -4.205 4.234 10.999 1.00 0.00 C ATOM 560 OG SER A 39 -2.821 4.295 11.298 1.00 0.00 O ATOM 0 H SER A 39 -2.784 3.107 9.329 1.00 0.00 H new ATOM 0 HA SER A 39 -5.477 4.056 9.292 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.729 5.032 11.525 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.616 3.291 11.359 1.00 0.00 H new ATOM 0 HG SER A 39 -2.691 4.212 12.266 1.00 0.00 H new ATOM 566 N ARG A 40 -3.054 6.137 8.640 1.00 0.00 N ATOM 567 CA ARG A 40 -2.752 7.441 8.109 1.00 0.00 C ATOM 568 C ARG A 40 -3.420 7.601 6.747 1.00 0.00 C ATOM 569 O ARG A 40 -3.941 8.666 6.410 1.00 0.00 O ATOM 570 CB ARG A 40 -1.238 7.609 7.974 1.00 0.00 C ATOM 571 CG ARG A 40 -0.408 6.911 9.047 1.00 0.00 C ATOM 572 CD ARG A 40 -0.786 7.347 10.455 1.00 0.00 C ATOM 573 NE ARG A 40 -0.499 8.758 10.690 1.00 0.00 N ATOM 574 CZ ARG A 40 0.353 9.195 11.615 1.00 0.00 C ATOM 575 NH1 ARG A 40 1.066 8.328 12.328 1.00 0.00 N1+ ATOM 576 NH2 ARG A 40 0.513 10.497 11.809 1.00 0.00 N ATOM 0 H ARG A 40 -2.253 5.507 8.684 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.131 8.206 8.787 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.932 7.231 6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.004 8.673 7.992 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.538 5.833 8.957 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.648 7.120 8.877 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.848 7.162 10.618 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.242 6.742 11.180 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.978 9.449 10.113 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.961 7.326 12.167 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.718 8.665 13.036 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.017 11.165 11.249 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.166 10.831 12.518 1.00 0.00 H new ATOM 590 N ILE A 41 -3.393 6.521 5.970 1.00 0.00 N ATOM 591 CA ILE A 41 -4.054 6.477 4.674 1.00 0.00 C ATOM 592 C ILE A 41 -5.563 6.623 4.849 1.00 0.00 C ATOM 593 O ILE A 41 -6.189 7.465 4.208 1.00 0.00 O ATOM 594 CB ILE A 41 -3.757 5.147 3.941 1.00 0.00 C ATOM 595 CG1 ILE A 41 -2.273 5.055 3.584 1.00 0.00 C ATOM 596 CG2 ILE A 41 -4.618 5.011 2.692 1.00 0.00 C ATOM 597 CD1 ILE A 41 -1.873 3.736 2.963 1.00 0.00 C ATOM 0 H ILE A 41 -2.914 5.657 6.222 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.668 7.303 4.076 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.004 4.325 4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.025 5.861 2.893 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.682 5.215 4.486 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.391 4.068 2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.671 5.029 2.972 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.409 5.839 2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.807 3.748 2.738 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.088 2.926 3.660 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.436 3.582 2.043 1.00 0.00 H new ATOM 609 N SER A 42 -6.133 5.802 5.733 1.00 0.00 N ATOM 610 CA SER A 42 -7.567 5.839 6.018 1.00 0.00 C ATOM 611 C SER A 42 -8.021 7.230 6.469 1.00 0.00 C ATOM 612 O SER A 42 -9.148 7.640 6.186 1.00 0.00 O ATOM 613 CB SER A 42 -7.923 4.798 7.081 1.00 0.00 C ATOM 614 OG SER A 42 -7.623 3.488 6.632 1.00 0.00 O ATOM 0 H SER A 42 -5.619 5.100 6.266 1.00 0.00 H new ATOM 0 HA SER A 42 -8.093 5.603 5.093 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.372 5.007 7.998 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.983 4.869 7.323 1.00 0.00 H new ATOM 0 HG SER A 42 -6.652 3.357 6.630 1.00 0.00 H new ATOM 620 N GLY A 43 -7.145 7.947 7.163 1.00 0.00 N ATOM 621 CA GLY A 43 -7.448 9.313 7.556 1.00 0.00 C ATOM 622 C GLY A 43 -7.637 10.221 6.354 1.00 0.00 C ATOM 623 O GLY A 43 -8.607 10.977 6.277 1.00 0.00 O ATOM 0 H GLY A 43 -6.230 7.608 7.461 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.353 9.323 8.164 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.641 9.699 8.179 1.00 0.00 H new ATOM 627 N ARG A 44 -6.716 10.130 5.402 1.00 0.00 N ATOM 628 CA ARG A 44 -6.789 10.903 4.179 1.00 0.00 C ATOM 629 C ARG A 44 -7.940 10.428 3.300 1.00 0.00 C ATOM 630 O ARG A 44 -8.569 11.219 2.606 1.00 0.00 O ATOM 631 CB ARG A 44 -5.485 10.780 3.410 1.00 0.00 C ATOM 632 CG ARG A 44 -4.291 11.412 4.097 1.00 0.00 C ATOM 633 CD ARG A 44 -3.050 11.304 3.228 1.00 0.00 C ATOM 634 NE ARG A 44 -3.258 11.901 1.903 1.00 0.00 N ATOM 635 CZ ARG A 44 -2.310 12.527 1.200 1.00 0.00 C ATOM 636 NH1 ARG A 44 -1.114 12.741 1.729 1.00 0.00 N1+ ATOM 637 NH2 ARG A 44 -2.576 12.973 -0.024 1.00 0.00 N ATOM 0 H ARG A 44 -5.902 9.519 5.461 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.962 11.945 4.448 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.275 9.724 3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.610 11.240 2.430 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.501 12.460 4.310 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.114 10.921 5.054 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.215 11.800 3.723 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.776 10.255 3.115 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.189 11.833 1.492 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.913 12.427 2.678 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.395 13.220 1.187 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.504 12.837 -0.426 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.852 13.451 -0.561 1.00 0.00 H new ATOM 651 N LEU A 45 -8.198 9.130 3.325 1.00 0.00 N ATOM 652 CA LEU A 45 -9.288 8.544 2.556 1.00 0.00 C ATOM 653 C LEU A 45 -10.621 9.116 3.036 1.00 0.00 C ATOM 654 O LEU A 45 -11.566 9.273 2.272 1.00 0.00 O ATOM 655 CB LEU A 45 -9.263 7.025 2.734 1.00 0.00 C ATOM 656 CG LEU A 45 -9.676 6.205 1.515 1.00 0.00 C ATOM 657 CD1 LEU A 45 -9.305 4.750 1.722 1.00 0.00 C ATOM 658 CD2 LEU A 45 -11.165 6.331 1.238 1.00 0.00 C ATOM 0 H LEU A 45 -7.664 8.456 3.874 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.169 8.783 1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.254 6.729 3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.921 6.765 3.563 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.142 6.596 0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.603 4.171 0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.227 4.666 1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.818 4.366 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.424 5.734 0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.727 5.973 2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.413 7.376 1.051 1.00 0.00 H new ATOM 670 N ASN A 46 -10.650 9.449 4.313 1.00 0.00 N ATOM 671 CA ASN A 46 -11.824 10.024 4.960 1.00 0.00 C ATOM 672 C ASN A 46 -12.031 11.442 4.467 1.00 0.00 C ATOM 673 O ASN A 46 -13.160 11.914 4.321 1.00 0.00 O ATOM 674 CB ASN A 46 -11.653 10.003 6.486 1.00 0.00 C ATOM 675 CG ASN A 46 -12.812 10.644 7.233 1.00 0.00 C ATOM 676 OD1 ASN A 46 -13.808 9.991 7.539 1.00 0.00 O ATOM 677 ND2 ASN A 46 -12.679 11.919 7.560 1.00 0.00 N ATOM 0 H ASN A 46 -9.854 9.329 4.940 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.702 9.430 4.707 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.544 8.970 6.818 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.731 10.521 6.748 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.417 12.391 8.083 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.839 12.430 7.289 1.00 0.00 H new ATOM 684 N ARG A 47 -10.916 12.110 4.218 1.00 0.00 N ATOM 685 CA ARG A 47 -10.912 13.414 3.594 1.00 0.00 C ATOM 686 C ARG A 47 -11.596 13.362 2.232 1.00 0.00 C ATOM 687 O ARG A 47 -12.260 14.317 1.828 1.00 0.00 O ATOM 688 CB ARG A 47 -9.468 13.900 3.445 1.00 0.00 C ATOM 689 CG ARG A 47 -9.131 14.406 2.049 1.00 0.00 C ATOM 690 CD ARG A 47 -7.724 14.972 1.973 1.00 0.00 C ATOM 691 NE ARG A 47 -7.473 15.585 0.674 1.00 0.00 N ATOM 692 CZ ARG A 47 -6.263 15.843 0.183 1.00 0.00 C ATOM 693 NH1 ARG A 47 -5.175 15.586 0.899 1.00 0.00 N1+ ATOM 694 NH2 ARG A 47 -6.144 16.367 -1.032 1.00 0.00 N ATOM 0 H ARG A 47 -9.986 11.757 4.446 1.00 0.00 H new ATOM 0 HA ARG A 47 -11.466 14.111 4.223 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.287 14.699 4.164 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.792 13.084 3.699 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.233 13.590 1.333 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.847 15.175 1.759 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.584 15.712 2.761 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.999 14.177 2.149 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.280 15.833 0.102 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.262 15.187 1.834 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.252 15.787 0.514 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.978 16.570 -1.584 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.219 16.567 -1.413 1.00 0.00 H new ATOM 708 N PHE A 48 -11.436 12.248 1.526 1.00 0.00 N ATOM 709 CA PHE A 48 -11.971 12.153 0.183 1.00 0.00 C ATOM 710 C PHE A 48 -13.377 11.568 0.182 1.00 0.00 C ATOM 711 O PHE A 48 -14.330 12.229 -0.231 1.00 0.00 O ATOM 712 CB PHE A 48 -11.071 11.295 -0.702 1.00 0.00 C ATOM 713 CG PHE A 48 -9.698 11.856 -0.943 1.00 0.00 C ATOM 714 CD1 PHE A 48 -9.522 12.971 -1.739 1.00 0.00 C ATOM 715 CD2 PHE A 48 -8.583 11.250 -0.389 1.00 0.00 C ATOM 716 CE1 PHE A 48 -8.257 13.475 -1.980 1.00 0.00 C ATOM 717 CE2 PHE A 48 -7.316 11.749 -0.621 1.00 0.00 C ATOM 718 CZ PHE A 48 -7.153 12.863 -1.419 1.00 0.00 C ATOM 0 H PHE A 48 -10.949 11.415 1.858 1.00 0.00 H new ATOM 0 HA PHE A 48 -12.012 13.167 -0.216 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.970 10.310 -0.246 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -11.563 11.152 -1.664 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.382 13.455 -2.178 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.706 10.376 0.233 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.132 14.346 -2.606 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.455 11.269 -0.179 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.164 13.256 -1.605 1.00 0.00 H new ATOM 728 N LYS A 49 -13.499 10.347 0.696 1.00 0.00 N ATOM 729 CA LYS A 49 -14.762 9.608 0.708 1.00 0.00 C ATOM 730 C LYS A 49 -14.681 8.482 1.724 1.00 0.00 C ATOM 731 O LYS A 49 -14.085 7.440 1.459 1.00 0.00 O ATOM 732 CB LYS A 49 -15.076 8.986 -0.663 1.00 0.00 C ATOM 733 CG LYS A 49 -15.521 9.970 -1.731 1.00 0.00 C ATOM 734 CD LYS A 49 -16.800 10.689 -1.336 1.00 0.00 C ATOM 735 CE LYS A 49 -17.316 11.561 -2.466 1.00 0.00 C ATOM 736 NZ LYS A 49 -16.290 12.520 -2.962 1.00 0.00 N1+ ATOM 0 H LYS A 49 -12.722 9.839 1.118 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.550 10.317 0.963 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -14.188 8.464 -1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.857 8.236 -0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.731 10.701 -1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -15.677 9.441 -2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.561 9.958 -1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -16.617 11.304 -0.455 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.643 10.926 -3.290 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.190 12.115 -2.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.732 13.191 -3.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.885 13.041 -2.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.536 11.998 -3.452 1.00 0.00 H new ATOM 750 N ARG A 50 -15.282 8.674 2.879 1.00 0.00 N ATOM 751 CA ARG A 50 -15.278 7.631 3.883 1.00 0.00 C ATOM 752 C ARG A 50 -16.680 7.398 4.412 1.00 0.00 C ATOM 753 O ARG A 50 -17.199 8.174 5.212 1.00 0.00 O ATOM 754 CB ARG A 50 -14.335 7.986 5.026 1.00 0.00 C ATOM 755 CG ARG A 50 -13.775 6.775 5.754 1.00 0.00 C ATOM 756 CD ARG A 50 -12.821 5.985 4.870 1.00 0.00 C ATOM 757 NE ARG A 50 -12.297 4.806 5.560 1.00 0.00 N ATOM 758 CZ ARG A 50 -11.912 3.683 4.949 1.00 0.00 C ATOM 759 NH1 ARG A 50 -11.944 3.596 3.624 1.00 0.00 N1+ ATOM 760 NH2 ARG A 50 -11.486 2.650 5.669 1.00 0.00 N ATOM 0 H ARG A 50 -15.772 9.528 3.144 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.924 6.712 3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.508 8.577 4.633 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.865 8.616 5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.254 7.099 6.655 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.594 6.131 6.074 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.338 5.676 3.962 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.994 6.625 4.564 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.221 4.845 6.576 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -12.264 4.389 3.068 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.649 2.736 3.162 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.454 2.716 6.686 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.191 1.791 5.204 1.00 0.00 H new ATOM 774 N TYR A 51 -17.280 6.322 3.950 1.00 0.00 N ATOM 775 CA TYR A 51 -18.596 5.920 4.397 1.00 0.00 C ATOM 776 C TYR A 51 -18.449 5.053 5.641 1.00 0.00 C ATOM 777 O TYR A 51 -17.613 4.151 5.660 1.00 0.00 O ATOM 778 CB TYR A 51 -19.279 5.138 3.276 1.00 0.00 C ATOM 779 CG TYR A 51 -20.777 5.329 3.214 1.00 0.00 C ATOM 780 CD1 TYR A 51 -21.327 6.594 3.048 1.00 0.00 C ATOM 781 CD2 TYR A 51 -21.639 4.247 3.309 1.00 0.00 C ATOM 782 CE1 TYR A 51 -22.695 6.775 2.983 1.00 0.00 C ATOM 783 CE2 TYR A 51 -23.006 4.420 3.244 1.00 0.00 C ATOM 784 CZ TYR A 51 -23.529 5.686 3.079 1.00 0.00 C ATOM 785 OH TYR A 51 -24.896 5.857 3.013 1.00 0.00 O ATOM 0 H TYR A 51 -16.869 5.701 3.253 1.00 0.00 H new ATOM 0 HA TYR A 51 -19.203 6.792 4.642 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -18.846 5.438 2.322 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -19.064 4.077 3.404 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -20.674 7.450 2.968 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -21.234 3.254 3.436 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -23.107 7.766 2.858 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -23.664 3.568 3.322 1.00 0.00 H new ATOM 0 HH TYR A 51 -25.339 4.987 3.096 1.00 0.00 H new ATOM 795 N PRO A 52 -19.222 5.334 6.704 1.00 0.00 N ATOM 796 CA PRO A 52 -19.146 4.579 7.965 1.00 0.00 C ATOM 797 C PRO A 52 -19.311 3.081 7.744 1.00 0.00 C ATOM 798 O PRO A 52 -20.249 2.645 7.077 1.00 0.00 O ATOM 799 CB PRO A 52 -20.318 5.126 8.779 1.00 0.00 C ATOM 800 CG PRO A 52 -20.555 6.488 8.231 1.00 0.00 C ATOM 801 CD PRO A 52 -20.227 6.407 6.767 1.00 0.00 C ATOM 0 HA PRO A 52 -18.179 4.696 8.454 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -21.202 4.497 8.673 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -20.079 5.163 9.842 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.590 6.795 8.383 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -19.927 7.225 8.732 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -21.107 6.169 6.170 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -19.832 7.351 6.390 1.00 0.00 H new ATOM 809 N LYS A 53 -18.409 2.299 8.341 1.00 0.00 N ATOM 810 CA LYS A 53 -18.345 0.856 8.104 1.00 0.00 C ATOM 811 C LYS A 53 -19.639 0.171 8.517 1.00 0.00 C ATOM 812 O LYS A 53 -19.952 -0.912 8.025 1.00 0.00 O ATOM 813 CB LYS A 53 -17.176 0.220 8.866 1.00 0.00 C ATOM 814 CG LYS A 53 -15.797 0.786 8.538 1.00 0.00 C ATOM 815 CD LYS A 53 -15.404 0.585 7.078 1.00 0.00 C ATOM 816 CE LYS A 53 -15.910 1.718 6.199 1.00 0.00 C ATOM 817 NZ LYS A 53 -15.412 3.040 6.669 1.00 0.00 N1+ ATOM 0 H LYS A 53 -17.708 2.645 8.997 1.00 0.00 H new ATOM 0 HA LYS A 53 -18.193 0.717 7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -17.354 0.338 9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.169 -0.850 8.660 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.783 1.851 8.769 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.053 0.311 9.178 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.319 0.520 6.999 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.807 -0.362 6.719 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.589 1.552 5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -17.000 1.719 6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -16.197 3.722 6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.020 2.943 7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.670 3.380 6.025 1.00 0.00 H new ATOM 831 N ASP A 54 -20.376 0.808 9.424 1.00 0.00 N ATOM 832 CA ASP A 54 -21.660 0.287 9.887 1.00 0.00 C ATOM 833 C ASP A 54 -22.588 0.052 8.707 1.00 0.00 C ATOM 834 O ASP A 54 -23.261 -0.974 8.625 1.00 0.00 O ATOM 835 CB ASP A 54 -22.320 1.266 10.864 1.00 0.00 C ATOM 836 CG ASP A 54 -21.423 1.627 12.025 1.00 0.00 C ATOM 837 OD1 ASP A 54 -21.289 0.810 12.959 1.00 0.00 O ATOM 838 OD2 ASP A 54 -20.845 2.734 12.012 1.00 0.00 O1- ATOM 0 H ASP A 54 -20.104 1.691 9.855 1.00 0.00 H new ATOM 0 HA ASP A 54 -21.477 -0.658 10.399 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -22.598 2.174 10.329 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -23.241 0.826 11.246 1.00 0.00 H new ATOM 843 N ALA A 55 -22.596 1.007 7.788 1.00 0.00 N ATOM 844 CA ALA A 55 -23.426 0.924 6.601 1.00 0.00 C ATOM 845 C ALA A 55 -22.932 -0.175 5.679 1.00 0.00 C ATOM 846 O ALA A 55 -23.722 -0.931 5.124 1.00 0.00 O ATOM 847 CB ALA A 55 -23.445 2.258 5.879 1.00 0.00 C ATOM 0 H ALA A 55 -22.031 1.854 7.846 1.00 0.00 H new ATOM 0 HA ALA A 55 -24.444 0.680 6.906 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -24.071 2.182 4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -23.847 3.025 6.542 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -22.430 2.527 5.586 1.00 0.00 H new ATOM 853 N LEU A 56 -21.618 -0.273 5.544 1.00 0.00 N ATOM 854 CA LEU A 56 -21.009 -1.274 4.676 1.00 0.00 C ATOM 855 C LEU A 56 -21.342 -2.680 5.154 1.00 0.00 C ATOM 856 O LEU A 56 -21.654 -3.555 4.356 1.00 0.00 O ATOM 857 CB LEU A 56 -19.486 -1.093 4.605 1.00 0.00 C ATOM 858 CG LEU A 56 -18.986 0.116 3.799 1.00 0.00 C ATOM 859 CD1 LEU A 56 -19.589 0.130 2.407 1.00 0.00 C ATOM 860 CD2 LEU A 56 -19.292 1.420 4.512 1.00 0.00 C ATOM 0 H LEU A 56 -20.950 0.329 6.025 1.00 0.00 H new ATOM 0 HA LEU A 56 -21.421 -1.136 3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -19.103 -1.010 5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -19.053 -1.996 4.174 1.00 0.00 H new ATOM 0 HG LEU A 56 -17.904 0.020 3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -19.218 0.996 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -19.308 -0.781 1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -20.675 0.186 2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.925 2.255 3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -20.369 1.516 4.648 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -18.801 1.426 5.485 1.00 0.00 H new ATOM 872 N ARG A 57 -21.305 -2.879 6.463 1.00 0.00 N ATOM 873 CA ARG A 57 -21.618 -4.179 7.061 1.00 0.00 C ATOM 874 C ARG A 57 -23.041 -4.648 6.725 1.00 0.00 C ATOM 875 O ARG A 57 -23.375 -5.819 6.912 1.00 0.00 O ATOM 876 CB ARG A 57 -21.426 -4.122 8.578 1.00 0.00 C ATOM 877 CG ARG A 57 -19.983 -3.890 8.996 1.00 0.00 C ATOM 878 CD ARG A 57 -19.825 -3.932 10.510 1.00 0.00 C ATOM 879 NE ARG A 57 -18.419 -3.953 10.923 1.00 0.00 N ATOM 880 CZ ARG A 57 -18.014 -3.872 12.190 1.00 0.00 C ATOM 881 NH1 ARG A 57 -18.894 -3.726 13.169 1.00 0.00 N1+ ATOM 882 NH2 ARG A 57 -16.722 -3.927 12.487 1.00 0.00 N ATOM 0 H ARG A 57 -21.060 -2.156 7.139 1.00 0.00 H new ATOM 0 HA ARG A 57 -20.928 -4.906 6.633 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -22.047 -3.324 8.986 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -21.778 -5.056 9.017 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -19.345 -4.648 8.542 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -19.646 -2.924 8.621 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -20.317 -3.064 10.948 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -20.329 -4.816 10.901 1.00 0.00 H new ATOM 0 HE ARG A 57 -17.707 -4.035 10.197 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -19.890 -3.675 12.956 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -18.576 -3.665 14.136 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -16.032 -4.032 11.743 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.419 -3.864 13.459 1.00 0.00 H new ATOM 896 N LEU A 58 -23.885 -3.736 6.245 1.00 0.00 N ATOM 897 CA LEU A 58 -25.248 -4.090 5.850 1.00 0.00 C ATOM 898 C LEU A 58 -25.448 -3.916 4.342 1.00 0.00 C ATOM 899 O LEU A 58 -26.318 -4.548 3.739 1.00 0.00 O ATOM 900 CB LEU A 58 -26.277 -3.230 6.599 1.00 0.00 C ATOM 901 CG LEU A 58 -26.565 -3.626 8.052 1.00 0.00 C ATOM 902 CD1 LEU A 58 -25.362 -3.371 8.946 1.00 0.00 C ATOM 903 CD2 LEU A 58 -27.783 -2.870 8.564 1.00 0.00 C ATOM 0 H LEU A 58 -23.651 -2.751 6.120 1.00 0.00 H new ATOM 0 HA LEU A 58 -25.398 -5.138 6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -25.931 -2.196 6.588 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -27.215 -3.258 6.044 1.00 0.00 H new ATOM 0 HG LEU A 58 -26.772 -4.696 8.079 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -25.600 -3.663 9.969 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -24.514 -3.956 8.590 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -25.108 -2.311 8.921 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -27.981 -3.157 9.597 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -27.593 -1.798 8.515 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -28.648 -3.114 7.947 1.00 0.00 H new ATOM 915 N LYS A 59 -24.635 -3.063 3.738 1.00 0.00 N ATOM 916 CA LYS A 59 -24.759 -2.745 2.321 1.00 0.00 C ATOM 917 C LYS A 59 -23.703 -3.476 1.496 1.00 0.00 C ATOM 918 O LYS A 59 -24.012 -4.426 0.774 1.00 0.00 O ATOM 919 CB LYS A 59 -24.638 -1.231 2.111 1.00 0.00 C ATOM 920 CG LYS A 59 -24.530 -0.808 0.652 1.00 0.00 C ATOM 921 CD LYS A 59 -24.135 0.653 0.524 1.00 0.00 C ATOM 922 CE LYS A 59 -25.318 1.583 0.735 1.00 0.00 C ATOM 923 NZ LYS A 59 -26.262 1.541 -0.413 1.00 0.00 N1+ ATOM 0 H LYS A 59 -23.875 -2.574 4.211 1.00 0.00 H new ATOM 0 HA LYS A 59 -25.740 -3.078 1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -25.506 -0.744 2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -23.761 -0.870 2.648 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -23.793 -1.431 0.145 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -25.485 -0.973 0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -23.358 0.884 1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -23.708 0.828 -0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -25.843 1.303 1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -24.959 2.603 0.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -26.909 2.354 -0.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -25.727 1.581 -1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -26.812 0.659 -0.378 1.00 0.00 H new ATOM 937 N ARG A 60 -22.461 -3.035 1.606 1.00 0.00 N ATOM 938 CA ARG A 60 -21.378 -3.600 0.821 1.00 0.00 C ATOM 939 C ARG A 60 -20.272 -4.084 1.732 1.00 0.00 C ATOM 940 O ARG A 60 -19.309 -3.370 2.005 1.00 0.00 O ATOM 941 CB ARG A 60 -20.847 -2.568 -0.173 1.00 0.00 C ATOM 942 CG ARG A 60 -21.883 -2.150 -1.200 1.00 0.00 C ATOM 943 CD ARG A 60 -22.314 -3.331 -2.056 1.00 0.00 C ATOM 944 NE ARG A 60 -23.539 -3.053 -2.803 1.00 0.00 N ATOM 945 CZ ARG A 60 -24.256 -3.987 -3.428 1.00 0.00 C ATOM 946 NH1 ARG A 60 -23.867 -5.258 -3.403 1.00 0.00 N1+ ATOM 947 NH2 ARG A 60 -25.370 -3.650 -4.061 1.00 0.00 N ATOM 0 H ARG A 60 -22.178 -2.284 2.235 1.00 0.00 H new ATOM 0 HA ARG A 60 -21.759 -4.452 0.258 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -20.507 -1.687 0.372 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -19.978 -2.980 -0.687 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -22.751 -1.728 -0.694 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -21.473 -1.366 -1.837 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -21.515 -3.583 -2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -22.468 -4.202 -1.419 1.00 0.00 H new ATOM 0 HE ARG A 60 -23.865 -2.087 -2.849 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -23.017 -5.522 -2.904 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -24.418 -5.970 -3.882 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -25.678 -2.677 -4.069 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -25.920 -4.363 -4.540 1.00 0.00 H new ATOM 961 N GLN A 61 -20.443 -5.294 2.218 1.00 0.00 N ATOM 962 CA GLN A 61 -19.486 -5.906 3.114 1.00 0.00 C ATOM 963 C GLN A 61 -18.578 -6.850 2.341 1.00 0.00 C ATOM 964 O GLN A 61 -19.039 -7.836 1.768 1.00 0.00 O ATOM 965 CB GLN A 61 -20.228 -6.647 4.230 1.00 0.00 C ATOM 966 CG GLN A 61 -21.402 -7.475 3.739 1.00 0.00 C ATOM 967 CD GLN A 61 -22.095 -8.230 4.854 1.00 0.00 C ATOM 968 OE1 GLN A 61 -21.470 -8.622 5.834 1.00 0.00 O ATOM 969 NE2 GLN A 61 -23.395 -8.432 4.713 1.00 0.00 N ATOM 0 H GLN A 61 -21.249 -5.881 2.003 1.00 0.00 H new ATOM 0 HA GLN A 61 -18.864 -5.134 3.566 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -19.526 -7.300 4.749 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -20.587 -5.921 4.959 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -22.122 -6.821 3.247 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -21.052 -8.184 2.989 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -23.877 -8.089 3.882 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -23.915 -8.930 5.435 1.00 0.00 H new ATOM 978 N GLY A 62 -17.294 -6.532 2.300 1.00 0.00 N ATOM 979 CA GLY A 62 -16.366 -7.357 1.563 1.00 0.00 C ATOM 980 C GLY A 62 -14.916 -7.070 1.886 1.00 0.00 C ATOM 981 O GLY A 62 -14.535 -5.923 2.100 1.00 0.00 O ATOM 0 H GLY A 62 -16.881 -5.722 2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -16.577 -8.405 1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.529 -7.208 0.495 1.00 0.00 H new ATOM 985 N VAL A 63 -14.102 -8.113 1.913 1.00 0.00 N ATOM 986 CA VAL A 63 -12.672 -7.948 2.110 1.00 0.00 C ATOM 987 C VAL A 63 -11.964 -8.122 0.779 1.00 0.00 C ATOM 988 O VAL A 63 -12.105 -9.159 0.126 1.00 0.00 O ATOM 989 CB VAL A 63 -12.098 -8.986 3.103 1.00 0.00 C ATOM 990 CG1 VAL A 63 -10.617 -8.737 3.351 1.00 0.00 C ATOM 991 CG2 VAL A 63 -12.869 -8.973 4.411 1.00 0.00 C ATOM 0 H VAL A 63 -14.406 -9.080 1.801 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.509 -6.952 2.521 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.208 -9.974 2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.236 -9.479 4.052 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.073 -8.814 2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.481 -7.739 3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -12.445 -9.712 5.091 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.802 -7.983 4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -13.915 -9.214 4.219 1.00 0.00 H new ATOM 1001 N GLY A 64 -11.204 -7.122 0.377 1.00 0.00 N ATOM 1002 CA GLY A 64 -10.490 -7.211 -0.870 1.00 0.00 C ATOM 1003 C GLY A 64 -9.112 -6.611 -0.785 1.00 0.00 C ATOM 1004 O GLY A 64 -8.788 -5.895 0.156 1.00 0.00 O ATOM 0 H GLY A 64 -11.069 -6.252 0.892 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.410 -8.257 -1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.058 -6.701 -1.648 1.00 0.00 H new ATOM 1008 N GLN A 65 -8.297 -6.917 -1.770 1.00 0.00 N ATOM 1009 CA GLN A 65 -6.981 -6.331 -1.885 1.00 0.00 C ATOM 1010 C GLN A 65 -7.009 -5.302 -2.991 1.00 0.00 C ATOM 1011 O GLN A 65 -7.676 -5.496 -4.007 1.00 0.00 O ATOM 1012 CB GLN A 65 -5.925 -7.393 -2.192 1.00 0.00 C ATOM 1013 CG GLN A 65 -5.674 -8.369 -1.062 1.00 0.00 C ATOM 1014 CD GLN A 65 -4.576 -9.355 -1.406 1.00 0.00 C ATOM 1015 OE1 GLN A 65 -4.832 -10.417 -1.962 1.00 0.00 O ATOM 1016 NE2 GLN A 65 -3.346 -9.007 -1.077 1.00 0.00 N ATOM 0 H GLN A 65 -8.528 -7.578 -2.512 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.716 -5.865 -0.936 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.234 -7.951 -3.076 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.988 -6.895 -2.441 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.401 -7.820 -0.161 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.593 -8.911 -0.839 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.175 -8.114 -0.615 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.567 -9.631 -1.285 1.00 0.00 H new ATOM 1025 N VAL A 66 -6.288 -4.225 -2.802 1.00 0.00 N ATOM 1026 CA VAL A 66 -6.287 -3.144 -3.754 1.00 0.00 C ATOM 1027 C VAL A 66 -4.843 -2.705 -4.032 1.00 0.00 C ATOM 1028 O VAL A 66 -4.121 -2.260 -3.141 1.00 0.00 O ATOM 1029 CB VAL A 66 -7.181 -1.991 -3.225 1.00 0.00 C ATOM 1030 CG1 VAL A 66 -6.628 -1.373 -1.958 1.00 0.00 C ATOM 1031 CG2 VAL A 66 -7.424 -0.933 -4.272 1.00 0.00 C ATOM 0 H VAL A 66 -5.690 -4.074 -1.990 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.709 -3.467 -4.706 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.142 -2.443 -2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.288 -0.571 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.563 -2.134 -1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.635 -0.968 -2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.054 -0.147 -3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.471 -0.506 -4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.922 -1.380 -5.132 1.00 0.00 H new ATOM 1041 N ARG A 67 -4.398 -2.907 -5.263 1.00 0.00 N ATOM 1042 CA ARG A 67 -3.025 -2.603 -5.625 1.00 0.00 C ATOM 1043 C ARG A 67 -2.993 -1.344 -6.477 1.00 0.00 C ATOM 1044 O ARG A 67 -3.850 -1.158 -7.334 1.00 0.00 O ATOM 1045 CB ARG A 67 -2.397 -3.793 -6.361 1.00 0.00 C ATOM 1046 CG ARG A 67 -0.914 -3.625 -6.617 1.00 0.00 C ATOM 1047 CD ARG A 67 -0.264 -4.908 -7.118 1.00 0.00 C ATOM 1048 NE ARG A 67 1.158 -4.707 -7.380 1.00 0.00 N ATOM 1049 CZ ARG A 67 2.126 -5.568 -7.064 1.00 0.00 C ATOM 1050 NH1 ARG A 67 1.845 -6.752 -6.530 1.00 0.00 N1+ ATOM 1051 NH2 ARG A 67 3.386 -5.240 -7.302 1.00 0.00 N ATOM 0 H ARG A 67 -4.966 -3.279 -6.024 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.438 -2.424 -4.724 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.557 -4.699 -5.776 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.909 -3.934 -7.313 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.762 -2.833 -7.350 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.423 -3.307 -5.697 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.393 -5.698 -6.378 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.762 -5.240 -8.029 1.00 0.00 H new ATOM 0 HE ARG A 67 1.433 -3.840 -7.841 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.875 -7.015 -6.355 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.599 -7.397 -6.295 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.607 -4.337 -7.722 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.136 -5.890 -7.065 1.00 0.00 H new ATOM 1065 N PHE A 68 -2.030 -0.471 -6.229 1.00 0.00 N ATOM 1066 CA PHE A 68 -1.999 0.822 -6.890 1.00 0.00 C ATOM 1067 C PHE A 68 -0.613 1.447 -6.852 1.00 0.00 C ATOM 1068 O PHE A 68 0.299 0.944 -6.192 1.00 0.00 O ATOM 1069 CB PHE A 68 -3.020 1.774 -6.246 1.00 0.00 C ATOM 1070 CG PHE A 68 -3.060 1.737 -4.743 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -1.949 2.079 -3.983 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -4.224 1.363 -4.090 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -2.007 2.043 -2.603 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -4.283 1.327 -2.714 1.00 0.00 C ATOM 1075 CZ PHE A 68 -3.176 1.667 -1.969 1.00 0.00 C ATOM 0 H PHE A 68 -1.262 -0.634 -5.577 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.262 0.659 -7.935 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.796 2.792 -6.564 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.012 1.532 -6.627 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.034 2.375 -4.474 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.097 1.096 -4.668 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.138 2.309 -2.019 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.197 1.032 -2.220 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.221 1.640 -0.890 1.00 0.00 H new ATOM 1085 N THR A 69 -0.473 2.540 -7.584 1.00 0.00 N ATOM 1086 CA THR A 69 0.733 3.347 -7.558 1.00 0.00 C ATOM 1087 C THR A 69 0.382 4.742 -7.075 1.00 0.00 C ATOM 1088 O THR A 69 -0.564 5.359 -7.571 1.00 0.00 O ATOM 1089 CB THR A 69 1.386 3.435 -8.944 1.00 0.00 C ATOM 1090 OG1 THR A 69 1.432 2.134 -9.543 1.00 0.00 O ATOM 1091 CG2 THR A 69 2.792 3.994 -8.829 1.00 0.00 C ATOM 0 H THR A 69 -1.194 2.892 -8.214 1.00 0.00 H new ATOM 0 HA THR A 69 1.447 2.876 -6.882 1.00 0.00 H new ATOM 0 HB THR A 69 0.791 4.101 -9.570 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.848 2.196 -10.428 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.243 4.051 -9.820 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.752 4.991 -8.391 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.392 3.342 -8.194 1.00 0.00 H new ATOM 1099 N LEU A 70 1.131 5.225 -6.104 1.00 0.00 N ATOM 1100 CA LEU A 70 0.806 6.476 -5.449 1.00 0.00 C ATOM 1101 C LEU A 70 1.813 7.562 -5.779 1.00 0.00 C ATOM 1102 O LEU A 70 3.016 7.306 -5.877 1.00 0.00 O ATOM 1103 CB LEU A 70 0.735 6.246 -3.946 1.00 0.00 C ATOM 1104 CG LEU A 70 -0.361 5.273 -3.522 1.00 0.00 C ATOM 1105 CD1 LEU A 70 -0.182 4.856 -2.070 1.00 0.00 C ATOM 1106 CD2 LEU A 70 -1.728 5.902 -3.750 1.00 0.00 C ATOM 0 H LEU A 70 1.972 4.768 -5.750 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.162 6.820 -5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.697 5.868 -3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.571 7.202 -3.449 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.289 4.373 -4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.975 4.162 -1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.786 4.369 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.228 5.737 -1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.506 5.202 -3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.811 6.816 -3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.847 6.140 -4.807 1.00 0.00 H new ATOM 1118 N ASP A 71 1.301 8.770 -5.975 1.00 0.00 N ATOM 1119 CA ASP A 71 2.137 9.931 -6.233 1.00 0.00 C ATOM 1120 C ASP A 71 2.666 10.485 -4.919 1.00 0.00 C ATOM 1121 O ASP A 71 2.093 10.210 -3.870 1.00 0.00 O ATOM 1122 CB ASP A 71 1.336 11.014 -6.969 1.00 0.00 C ATOM 1123 CG ASP A 71 2.220 12.073 -7.602 1.00 0.00 C ATOM 1124 OD1 ASP A 71 2.710 12.965 -6.874 1.00 0.00 O ATOM 1125 OD2 ASP A 71 2.431 12.016 -8.828 1.00 0.00 O1- ATOM 0 H ASP A 71 0.301 8.970 -5.960 1.00 0.00 H new ATOM 0 HA ASP A 71 2.975 9.628 -6.861 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.727 10.546 -7.743 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.650 11.491 -6.269 1.00 0.00 H new ATOM 1130 N ARG A 72 3.731 11.265 -4.978 1.00 0.00 N ATOM 1131 CA ARG A 72 4.330 11.852 -3.781 1.00 0.00 C ATOM 1132 C ARG A 72 3.288 12.623 -2.973 1.00 0.00 C ATOM 1133 O ARG A 72 3.288 12.600 -1.740 1.00 0.00 O ATOM 1134 CB ARG A 72 5.463 12.801 -4.170 1.00 0.00 C ATOM 1135 CG ARG A 72 6.529 12.176 -5.055 1.00 0.00 C ATOM 1136 CD ARG A 72 7.590 13.194 -5.425 1.00 0.00 C ATOM 1137 NE ARG A 72 7.015 14.347 -6.119 1.00 0.00 N ATOM 1138 CZ ARG A 72 7.277 15.616 -5.802 1.00 0.00 C ATOM 1139 NH1 ARG A 72 8.077 15.897 -4.780 1.00 0.00 N1+ ATOM 1140 NH2 ARG A 72 6.727 16.605 -6.497 1.00 0.00 N ATOM 0 H ARG A 72 4.205 11.511 -5.847 1.00 0.00 H new ATOM 0 HA ARG A 72 4.723 11.040 -3.170 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.038 13.662 -4.686 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.935 13.175 -3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.991 11.336 -4.537 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.069 11.779 -5.960 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.102 13.530 -4.523 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.340 12.723 -6.061 1.00 0.00 H new ATOM 0 HE ARG A 72 6.374 14.169 -6.893 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.493 15.142 -4.235 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.276 16.868 -4.540 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.102 16.395 -7.276 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.929 17.574 -6.252 1.00 0.00 H new ATOM 1154 N GLN A 73 2.382 13.281 -3.688 1.00 0.00 N ATOM 1155 CA GLN A 73 1.361 14.117 -3.070 1.00 0.00 C ATOM 1156 C GLN A 73 0.191 13.277 -2.563 1.00 0.00 C ATOM 1157 O GLN A 73 -0.768 13.800 -1.997 1.00 0.00 O ATOM 1158 CB GLN A 73 0.864 15.158 -4.075 1.00 0.00 C ATOM 1159 CG GLN A 73 0.266 14.545 -5.331 1.00 0.00 C ATOM 1160 CD GLN A 73 -0.004 15.564 -6.422 1.00 0.00 C ATOM 1161 OE1 GLN A 73 -0.937 15.409 -7.209 1.00 0.00 O ATOM 1162 NE2 GLN A 73 0.817 16.599 -6.491 1.00 0.00 N ATOM 0 H GLN A 73 2.335 13.250 -4.706 1.00 0.00 H new ATOM 0 HA GLN A 73 1.807 14.624 -2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.115 15.788 -3.595 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.694 15.807 -4.356 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.945 13.783 -5.714 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -0.666 14.042 -5.074 1.00 0.00 H new ATOM 0 HE21 GLN A 73 1.579 16.691 -5.819 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.688 17.305 -7.216 1.00 0.00 H new ATOM 1171 N GLY A 74 0.285 11.969 -2.756 1.00 0.00 N ATOM 1172 CA GLY A 74 -0.780 11.084 -2.351 1.00 0.00 C ATOM 1173 C GLY A 74 -1.905 11.053 -3.355 1.00 0.00 C ATOM 1174 O GLY A 74 -3.077 11.144 -2.989 1.00 0.00 O ATOM 0 H GLY A 74 1.085 11.506 -3.188 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.384 10.077 -2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.167 11.403 -1.383 1.00 0.00 H new ATOM 1178 N HIS A 75 -1.545 10.948 -4.624 1.00 0.00 N ATOM 1179 CA HIS A 75 -2.525 10.899 -5.698 1.00 0.00 C ATOM 1180 C HIS A 75 -2.541 9.512 -6.328 1.00 0.00 C ATOM 1181 O HIS A 75 -1.498 9.005 -6.745 1.00 0.00 O ATOM 1182 CB HIS A 75 -2.207 11.964 -6.757 1.00 0.00 C ATOM 1183 CG HIS A 75 -3.163 11.987 -7.915 1.00 0.00 C ATOM 1184 ND1 HIS A 75 -4.418 12.549 -7.842 1.00 0.00 N ATOM 1185 CD2 HIS A 75 -3.041 11.507 -9.176 1.00 0.00 C ATOM 1186 CE1 HIS A 75 -5.025 12.419 -9.008 1.00 0.00 C ATOM 1187 NE2 HIS A 75 -4.212 11.792 -9.837 1.00 0.00 N ATOM 0 H HIS A 75 -0.576 10.895 -4.937 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.512 11.107 -5.284 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.207 12.945 -6.281 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.199 11.794 -7.136 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.183 10.995 -9.586 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -6.020 12.767 -9.243 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -4.418 11.558 -10.808 1.00 0.00 H new ATOM 1196 N VAL A 76 -3.717 8.899 -6.357 1.00 0.00 N ATOM 1197 CA VAL A 76 -3.907 7.621 -7.033 1.00 0.00 C ATOM 1198 C VAL A 76 -3.507 7.724 -8.509 1.00 0.00 C ATOM 1199 O VAL A 76 -4.149 8.415 -9.304 1.00 0.00 O ATOM 1200 CB VAL A 76 -5.372 7.128 -6.903 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -6.357 8.156 -7.441 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -5.550 5.786 -7.598 1.00 0.00 C ATOM 0 H VAL A 76 -4.560 9.269 -5.917 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.261 6.890 -6.547 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.586 6.996 -5.842 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.373 7.777 -7.334 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.255 9.085 -6.881 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.149 8.343 -8.494 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.584 5.457 -7.495 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.305 5.888 -8.655 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.888 5.049 -7.142 1.00 0.00 H new ATOM 1212 N LEU A 77 -2.419 7.059 -8.865 1.00 0.00 N ATOM 1213 CA LEU A 77 -1.917 7.106 -10.231 1.00 0.00 C ATOM 1214 C LEU A 77 -2.309 5.853 -10.997 1.00 0.00 C ATOM 1215 O LEU A 77 -2.704 5.919 -12.162 1.00 0.00 O ATOM 1216 CB LEU A 77 -0.398 7.261 -10.233 1.00 0.00 C ATOM 1217 CG LEU A 77 0.118 8.568 -9.637 1.00 0.00 C ATOM 1218 CD1 LEU A 77 1.618 8.500 -9.440 1.00 0.00 C ATOM 1219 CD2 LEU A 77 -0.244 9.746 -10.529 1.00 0.00 C ATOM 0 H LEU A 77 -1.868 6.482 -8.230 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.365 7.968 -10.725 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.038 6.430 -9.679 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.041 7.182 -11.260 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.357 8.713 -8.667 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.972 9.439 -9.014 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.859 7.681 -8.763 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.104 8.331 -10.401 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.133 10.668 -10.086 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.203 9.608 -11.514 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.328 9.808 -10.628 1.00 0.00 H new ATOM 1231 N ALA A 78 -2.217 4.716 -10.328 1.00 0.00 N ATOM 1232 CA ALA A 78 -2.502 3.433 -10.949 1.00 0.00 C ATOM 1233 C ALA A 78 -3.455 2.636 -10.088 1.00 0.00 C ATOM 1234 O ALA A 78 -3.549 2.884 -8.892 1.00 0.00 O ATOM 1235 CB ALA A 78 -1.222 2.639 -11.147 1.00 0.00 C ATOM 0 H ALA A 78 -1.945 4.656 -9.347 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.960 3.621 -11.920 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.456 1.682 -11.613 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.542 3.199 -11.789 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.748 2.466 -10.181 1.00 0.00 H new ATOM 1241 N VAL A 79 -4.144 1.679 -10.696 1.00 0.00 N ATOM 1242 CA VAL A 79 -5.055 0.807 -9.982 1.00 0.00 C ATOM 1243 C VAL A 79 -5.020 -0.588 -10.589 1.00 0.00 C ATOM 1244 O VAL A 79 -5.253 -0.770 -11.785 1.00 0.00 O ATOM 1245 CB VAL A 79 -6.510 1.332 -9.991 1.00 0.00 C ATOM 1246 CG1 VAL A 79 -6.664 2.525 -9.062 1.00 0.00 C ATOM 1247 CG2 VAL A 79 -6.951 1.705 -11.399 1.00 0.00 C ATOM 0 H VAL A 79 -4.084 1.489 -11.696 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.721 0.779 -8.945 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.151 0.527 -9.632 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.696 2.875 -9.087 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.405 2.230 -8.045 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.001 3.327 -9.387 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.978 2.071 -11.374 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.298 2.485 -11.790 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.894 0.827 -12.043 1.00 0.00 H new ATOM 1257 N THR A 80 -4.686 -1.556 -9.767 1.00 0.00 N ATOM 1258 CA THR A 80 -4.659 -2.942 -10.173 1.00 0.00 C ATOM 1259 C THR A 80 -5.511 -3.756 -9.215 1.00 0.00 C ATOM 1260 O THR A 80 -5.207 -3.853 -8.024 1.00 0.00 O ATOM 1261 CB THR A 80 -3.221 -3.491 -10.182 1.00 0.00 C ATOM 1262 OG1 THR A 80 -2.383 -2.647 -10.985 1.00 0.00 O ATOM 1263 CG2 THR A 80 -3.187 -4.906 -10.729 1.00 0.00 C ATOM 0 H THR A 80 -4.424 -1.403 -8.793 1.00 0.00 H new ATOM 0 HA THR A 80 -5.055 -3.017 -11.186 1.00 0.00 H new ATOM 0 HB THR A 80 -2.853 -3.505 -9.156 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.469 -3.000 -10.986 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.161 -5.273 -10.726 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.805 -5.552 -10.106 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.571 -4.911 -11.749 1.00 0.00 H new ATOM 1271 N LEU A 81 -6.591 -4.318 -9.722 1.00 0.00 N ATOM 1272 CA LEU A 81 -7.510 -5.054 -8.883 1.00 0.00 C ATOM 1273 C LEU A 81 -6.966 -6.440 -8.579 1.00 0.00 C ATOM 1274 O LEU A 81 -6.741 -7.252 -9.476 1.00 0.00 O ATOM 1275 CB LEU A 81 -8.882 -5.169 -9.533 1.00 0.00 C ATOM 1276 CG LEU A 81 -9.940 -5.803 -8.638 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -10.259 -4.884 -7.469 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -11.190 -6.126 -9.437 1.00 0.00 C ATOM 0 H LEU A 81 -6.851 -4.278 -10.707 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.617 -4.501 -7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.218 -4.175 -9.827 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.792 -5.758 -10.446 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.548 -6.738 -8.239 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.016 -5.348 -6.837 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.355 -4.711 -6.885 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.635 -3.933 -7.846 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.934 -6.578 -8.781 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.594 -5.209 -9.867 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.940 -6.823 -10.237 1.00 0.00 H new ATOM 1290 N VAL A 82 -6.755 -6.692 -7.307 1.00 0.00 N ATOM 1291 CA VAL A 82 -6.232 -7.965 -6.853 1.00 0.00 C ATOM 1292 C VAL A 82 -7.326 -8.766 -6.151 1.00 0.00 C ATOM 1293 O VAL A 82 -7.658 -9.868 -6.582 1.00 0.00 O ATOM 1294 CB VAL A 82 -5.017 -7.758 -5.922 1.00 0.00 C ATOM 1295 CG1 VAL A 82 -3.726 -8.081 -6.655 1.00 0.00 C ATOM 1296 CG2 VAL A 82 -4.971 -6.324 -5.420 1.00 0.00 C ATOM 0 H VAL A 82 -6.940 -6.024 -6.558 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.895 -8.531 -7.722 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.122 -8.431 -5.071 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.880 -7.930 -5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.746 -9.119 -6.986 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.625 -7.426 -7.520 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.109 -6.195 -4.765 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.888 -5.644 -6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.883 -6.103 -4.866 1.00 0.00 H new ATOM 1306 N SER A 83 -7.902 -8.194 -5.091 1.00 0.00 N ATOM 1307 CA SER A 83 -9.020 -8.818 -4.374 1.00 0.00 C ATOM 1308 C SER A 83 -8.608 -10.166 -3.761 1.00 0.00 C ATOM 1309 O SER A 83 -7.456 -10.593 -3.881 1.00 0.00 O ATOM 1310 CB SER A 83 -10.219 -8.989 -5.317 1.00 0.00 C ATOM 1311 OG SER A 83 -11.377 -9.399 -4.610 1.00 0.00 O ATOM 0 H SER A 83 -7.612 -7.295 -4.707 1.00 0.00 H new ATOM 0 HA SER A 83 -9.310 -8.162 -3.553 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.418 -8.048 -5.830 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.979 -9.725 -6.084 1.00 0.00 H new ATOM 0 HG SER A 83 -12.125 -9.498 -5.236 1.00 0.00 H new ATOM 1317 N SER A 84 -9.544 -10.821 -3.078 1.00 0.00 N ATOM 1318 CA SER A 84 -9.255 -12.081 -2.402 1.00 0.00 C ATOM 1319 C SER A 84 -10.511 -12.937 -2.236 1.00 0.00 C ATOM 1320 O SER A 84 -10.700 -13.917 -2.956 1.00 0.00 O ATOM 1321 CB SER A 84 -8.633 -11.819 -1.025 1.00 0.00 C ATOM 1322 OG SER A 84 -7.475 -11.013 -1.129 1.00 0.00 O ATOM 0 H SER A 84 -10.507 -10.500 -2.979 1.00 0.00 H new ATOM 0 HA SER A 84 -8.549 -12.627 -3.027 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.363 -11.329 -0.381 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.377 -12.767 -0.553 1.00 0.00 H new ATOM 0 HG SER A 84 -6.774 -11.507 -1.603 1.00 0.00 H new ATOM 1328 N ALA A 85 -11.377 -12.544 -1.303 1.00 0.00 N ATOM 1329 CA ALA A 85 -12.500 -13.383 -0.888 1.00 0.00 C ATOM 1330 C ALA A 85 -13.488 -13.655 -2.019 1.00 0.00 C ATOM 1331 O ALA A 85 -13.598 -14.782 -2.503 1.00 0.00 O ATOM 1332 CB ALA A 85 -13.220 -12.750 0.292 1.00 0.00 C ATOM 0 H ALA A 85 -11.322 -11.648 -0.819 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.082 -14.345 -0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -14.054 -13.384 0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -12.527 -12.643 1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.596 -11.768 0.005 1.00 0.00 H new ATOM 1338 N GLY A 86 -14.198 -12.622 -2.442 1.00 0.00 N ATOM 1339 CA GLY A 86 -15.224 -12.797 -3.447 1.00 0.00 C ATOM 1340 C GLY A 86 -16.200 -11.649 -3.457 1.00 0.00 C ATOM 1341 O GLY A 86 -17.255 -11.719 -2.828 1.00 0.00 O ATOM 0 H GLY A 86 -14.082 -11.665 -2.108 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.759 -12.887 -4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.760 -13.728 -3.261 1.00 0.00 H new ATOM 1345 N LEU A 87 -15.854 -10.583 -4.155 1.00 0.00 N ATOM 1346 CA LEU A 87 -16.693 -9.397 -4.172 1.00 0.00 C ATOM 1347 C LEU A 87 -17.120 -9.090 -5.603 1.00 0.00 C ATOM 1348 O LEU A 87 -16.398 -8.421 -6.334 1.00 0.00 O ATOM 1349 CB LEU A 87 -15.966 -8.164 -3.595 1.00 0.00 C ATOM 1350 CG LEU A 87 -15.146 -8.338 -2.302 1.00 0.00 C ATOM 1351 CD1 LEU A 87 -15.916 -9.109 -1.252 1.00 0.00 C ATOM 1352 CD2 LEU A 87 -13.804 -8.998 -2.579 1.00 0.00 C ATOM 0 H LEU A 87 -15.004 -10.513 -4.714 1.00 0.00 H new ATOM 0 HA LEU A 87 -17.561 -9.605 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.295 -7.783 -4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -16.714 -7.392 -3.413 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.955 -7.340 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.305 -9.211 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.833 -8.574 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -16.165 -10.098 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.252 -9.105 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -13.966 -9.982 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -13.231 -8.381 -3.271 1.00 0.00 H new ATOM 1364 N PRO A 88 -18.290 -9.581 -6.033 1.00 0.00 N ATOM 1365 CA PRO A 88 -18.817 -9.303 -7.366 1.00 0.00 C ATOM 1366 C PRO A 88 -19.391 -7.893 -7.453 1.00 0.00 C ATOM 1367 O PRO A 88 -18.742 -6.971 -7.946 1.00 0.00 O ATOM 1368 CB PRO A 88 -19.928 -10.347 -7.556 1.00 0.00 C ATOM 1369 CG PRO A 88 -19.861 -11.243 -6.359 1.00 0.00 C ATOM 1370 CD PRO A 88 -19.181 -10.458 -5.275 1.00 0.00 C ATOM 0 HA PRO A 88 -18.044 -9.360 -8.132 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -20.904 -9.868 -7.631 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.779 -10.913 -8.476 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -20.860 -11.549 -6.048 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -19.305 -12.153 -6.586 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -19.894 -9.892 -4.675 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.630 -11.103 -4.591 1.00 0.00 H new ATOM 1378 N SER A 89 -20.605 -7.733 -6.950 1.00 0.00 N ATOM 1379 CA SER A 89 -21.254 -6.436 -6.903 1.00 0.00 C ATOM 1380 C SER A 89 -20.665 -5.582 -5.781 1.00 0.00 C ATOM 1381 O SER A 89 -20.853 -4.368 -5.741 1.00 0.00 O ATOM 1382 CB SER A 89 -22.756 -6.619 -6.719 1.00 0.00 C ATOM 1383 OG SER A 89 -23.261 -7.523 -7.690 1.00 0.00 O ATOM 0 H SER A 89 -21.164 -8.495 -6.565 1.00 0.00 H new ATOM 0 HA SER A 89 -21.079 -5.915 -7.844 1.00 0.00 H new ATOM 0 HB2 SER A 89 -22.964 -6.996 -5.718 1.00 0.00 H new ATOM 0 HB3 SER A 89 -23.261 -5.657 -6.809 1.00 0.00 H new ATOM 0 HG SER A 89 -24.226 -7.635 -7.562 1.00 0.00 H new ATOM 1389 N LEU A 90 -19.972 -6.233 -4.855 1.00 0.00 N ATOM 1390 CA LEU A 90 -19.349 -5.532 -3.739 1.00 0.00 C ATOM 1391 C LEU A 90 -18.141 -4.730 -4.212 1.00 0.00 C ATOM 1392 O LEU A 90 -17.914 -3.613 -3.745 1.00 0.00 O ATOM 1393 CB LEU A 90 -18.888 -6.519 -2.660 1.00 0.00 C ATOM 1394 CG LEU A 90 -19.928 -7.522 -2.177 1.00 0.00 C ATOM 1395 CD1 LEU A 90 -19.226 -8.661 -1.461 1.00 0.00 C ATOM 1396 CD2 LEU A 90 -20.936 -6.849 -1.261 1.00 0.00 C ATOM 0 H LEU A 90 -19.827 -7.243 -4.854 1.00 0.00 H new ATOM 0 HA LEU A 90 -20.097 -4.859 -3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -18.032 -7.072 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -18.538 -5.948 -1.800 1.00 0.00 H new ATOM 0 HG LEU A 90 -20.473 -7.919 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -19.965 -9.382 -1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -18.535 -9.151 -2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -18.672 -8.268 -0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -21.670 -7.582 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -20.420 -6.432 -0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -21.442 -6.049 -1.802 1.00 0.00 H new ATOM 1408 N ASP A 91 -17.386 -5.306 -5.151 1.00 0.00 N ATOM 1409 CA ASP A 91 -16.105 -4.743 -5.592 1.00 0.00 C ATOM 1410 C ASP A 91 -16.254 -3.303 -6.045 1.00 0.00 C ATOM 1411 O ASP A 91 -15.544 -2.418 -5.575 1.00 0.00 O ATOM 1412 CB ASP A 91 -15.536 -5.563 -6.749 1.00 0.00 C ATOM 1413 CG ASP A 91 -14.146 -5.114 -7.158 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -14.027 -4.126 -7.920 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -13.171 -5.762 -6.731 1.00 0.00 O1- ATOM 0 H ASP A 91 -17.643 -6.172 -5.626 1.00 0.00 H new ATOM 0 HA ASP A 91 -15.428 -4.776 -4.738 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.504 -6.614 -6.462 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -16.205 -5.487 -7.606 1.00 0.00 H new ATOM 1420 N ARG A 92 -17.214 -3.079 -6.929 1.00 0.00 N ATOM 1421 CA ARG A 92 -17.439 -1.762 -7.505 1.00 0.00 C ATOM 1422 C ARG A 92 -17.613 -0.705 -6.413 1.00 0.00 C ATOM 1423 O ARG A 92 -17.106 0.402 -6.527 1.00 0.00 O ATOM 1424 CB ARG A 92 -18.679 -1.793 -8.404 1.00 0.00 C ATOM 1425 CG ARG A 92 -19.897 -2.379 -7.710 1.00 0.00 C ATOM 1426 CD ARG A 92 -21.173 -2.188 -8.509 1.00 0.00 C ATOM 1427 NE ARG A 92 -21.158 -2.914 -9.778 1.00 0.00 N ATOM 1428 CZ ARG A 92 -21.504 -2.371 -10.945 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -21.836 -1.086 -11.009 1.00 0.00 N1+ ATOM 1430 NH2 ARG A 92 -21.507 -3.109 -12.046 1.00 0.00 N ATOM 0 H ARG A 92 -17.854 -3.798 -7.265 1.00 0.00 H new ATOM 0 HA ARG A 92 -16.565 -1.495 -8.100 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -18.908 -0.780 -8.734 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -18.460 -2.378 -9.297 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -19.736 -3.443 -7.539 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -20.012 -1.913 -6.732 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -22.023 -2.522 -7.914 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -21.319 -1.126 -8.705 1.00 0.00 H new ATOM 0 HE ARG A 92 -20.866 -3.891 -9.770 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -21.826 -0.514 -10.164 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -22.101 -0.672 -11.903 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -21.244 -4.094 -12.001 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -21.772 -2.692 -12.939 1.00 0.00 H new ATOM 1444 N GLU A 93 -18.332 -1.063 -5.357 1.00 0.00 N ATOM 1445 CA GLU A 93 -18.657 -0.137 -4.296 1.00 0.00 C ATOM 1446 C GLU A 93 -17.493 0.097 -3.336 1.00 0.00 C ATOM 1447 O GLU A 93 -17.034 1.226 -3.160 1.00 0.00 O ATOM 1448 CB GLU A 93 -19.828 -0.720 -3.532 1.00 0.00 C ATOM 1449 CG GLU A 93 -21.142 -0.695 -4.297 1.00 0.00 C ATOM 1450 CD GLU A 93 -21.749 0.684 -4.418 1.00 0.00 C ATOM 1451 OE1 GLU A 93 -21.046 1.626 -4.843 1.00 0.00 O1- ATOM 1452 OE2 GLU A 93 -22.944 0.830 -4.096 1.00 0.00 O ATOM 0 H GLU A 93 -18.703 -2.003 -5.218 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.895 0.830 -4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -19.596 -1.751 -3.263 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -19.952 -0.168 -2.600 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -20.978 -1.099 -5.296 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -21.854 -1.353 -3.800 1.00 0.00 H new ATOM 1459 N ILE A 94 -17.016 -0.985 -2.733 1.00 0.00 N ATOM 1460 CA ILE A 94 -15.969 -0.902 -1.720 1.00 0.00 C ATOM 1461 C ILE A 94 -14.651 -0.433 -2.311 1.00 0.00 C ATOM 1462 O ILE A 94 -13.975 0.432 -1.736 1.00 0.00 O ATOM 1463 CB ILE A 94 -15.760 -2.246 -0.973 1.00 0.00 C ATOM 1464 CG1 ILE A 94 -15.329 -3.362 -1.933 1.00 0.00 C ATOM 1465 CG2 ILE A 94 -17.032 -2.640 -0.235 1.00 0.00 C ATOM 1466 CD1 ILE A 94 -15.084 -4.693 -1.253 1.00 0.00 C ATOM 0 H ILE A 94 -17.338 -1.933 -2.928 1.00 0.00 H new ATOM 0 HA ILE A 94 -16.312 -0.163 -0.996 1.00 0.00 H new ATOM 0 HB ILE A 94 -14.958 -2.106 -0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -16.098 -3.490 -2.695 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -14.419 -3.054 -2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -16.873 -3.585 0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -17.288 -1.866 0.488 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -17.847 -2.752 -0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -14.783 -5.431 -1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -14.294 -4.582 -0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -15.999 -5.025 -0.762 1.00 0.00 H new ATOM 1478 N GLN A 95 -14.282 -0.968 -3.467 1.00 0.00 N ATOM 1479 CA GLN A 95 -13.043 -0.577 -4.057 1.00 0.00 C ATOM 1480 C GLN A 95 -13.125 0.856 -4.501 1.00 0.00 C ATOM 1481 O GLN A 95 -12.303 1.621 -4.098 1.00 0.00 O ATOM 1482 CB GLN A 95 -12.646 -1.447 -5.230 1.00 0.00 C ATOM 1483 CG GLN A 95 -12.650 -2.940 -4.935 1.00 0.00 C ATOM 1484 CD GLN A 95 -11.396 -3.408 -4.220 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -10.318 -2.843 -4.400 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -11.526 -4.449 -3.411 1.00 0.00 N ATOM 0 H GLN A 95 -14.820 -1.657 -3.992 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.275 -0.699 -3.293 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -13.326 -1.251 -6.059 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.649 -1.157 -5.561 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.521 -3.182 -4.325 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.754 -3.489 -5.871 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.438 -4.889 -3.289 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.714 -4.810 -2.910 1.00 0.00 H new ATOM 1495 N ALA A 96 -14.154 1.243 -5.264 1.00 0.00 N ATOM 1496 CA ALA A 96 -14.190 2.593 -5.852 1.00 0.00 C ATOM 1497 C ALA A 96 -14.049 3.671 -4.782 1.00 0.00 C ATOM 1498 O ALA A 96 -13.485 4.738 -5.034 1.00 0.00 O ATOM 1499 CB ALA A 96 -15.465 2.810 -6.645 1.00 0.00 C ATOM 0 H ALA A 96 -14.958 0.657 -5.487 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.341 2.671 -6.531 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -15.464 3.815 -7.067 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -15.522 2.078 -7.450 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -16.327 2.694 -5.988 1.00 0.00 H new ATOM 1505 N LEU A 97 -14.549 3.367 -3.592 1.00 0.00 N ATOM 1506 CA LEU A 97 -14.390 4.193 -2.435 1.00 0.00 C ATOM 1507 C LEU A 97 -12.910 4.502 -2.185 1.00 0.00 C ATOM 1508 O LEU A 97 -12.504 5.658 -2.090 1.00 0.00 O ATOM 1509 CB LEU A 97 -14.981 3.425 -1.259 1.00 0.00 C ATOM 1510 CG LEU A 97 -14.914 4.163 0.044 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -16.310 4.463 0.566 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -14.099 3.392 1.069 1.00 0.00 C ATOM 0 H LEU A 97 -15.086 2.518 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.897 5.148 -2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -16.022 3.189 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -14.454 2.476 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 97 -14.409 5.113 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -16.237 4.999 1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -16.845 5.077 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -16.850 3.529 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -14.068 3.951 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -14.559 2.420 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -13.084 3.251 0.696 1.00 0.00 H new ATOM 1524 N VAL A 98 -12.115 3.446 -2.093 1.00 0.00 N ATOM 1525 CA VAL A 98 -10.670 3.566 -1.869 1.00 0.00 C ATOM 1526 C VAL A 98 -9.887 3.740 -3.184 1.00 0.00 C ATOM 1527 O VAL A 98 -8.890 4.456 -3.240 1.00 0.00 O ATOM 1528 CB VAL A 98 -10.138 2.313 -1.142 1.00 0.00 C ATOM 1529 CG1 VAL A 98 -8.637 2.404 -0.917 1.00 0.00 C ATOM 1530 CG2 VAL A 98 -10.874 2.104 0.174 1.00 0.00 C ATOM 0 H VAL A 98 -12.445 2.484 -2.170 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.520 4.456 -1.259 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.325 1.449 -1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -8.291 1.507 -0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.130 2.490 -1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.413 3.280 -0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.485 1.216 0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.727 2.973 0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -11.938 1.973 -0.021 1.00 0.00 H new ATOM 1540 N LYS A 99 -10.388 3.107 -4.232 1.00 0.00 N ATOM 1541 CA LYS A 99 -9.696 2.947 -5.507 1.00 0.00 C ATOM 1542 C LYS A 99 -9.521 4.295 -6.207 1.00 0.00 C ATOM 1543 O LYS A 99 -8.615 4.475 -7.020 1.00 0.00 O ATOM 1544 CB LYS A 99 -10.490 1.968 -6.410 1.00 0.00 C ATOM 1545 CG LYS A 99 -9.717 1.488 -7.630 1.00 0.00 C ATOM 1546 CD LYS A 99 -10.563 0.592 -8.524 1.00 0.00 C ATOM 1547 CE LYS A 99 -10.888 -0.730 -7.846 1.00 0.00 C ATOM 1548 NZ LYS A 99 -11.863 -1.540 -8.632 1.00 0.00 N1+ ATOM 0 H LYS A 99 -11.313 2.677 -4.222 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.704 2.537 -5.317 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.787 1.103 -5.817 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.406 2.457 -6.742 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.371 2.349 -8.202 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.830 0.944 -7.306 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.489 1.106 -8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.032 0.402 -9.457 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.970 -1.302 -7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.295 -0.537 -6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.133 -2.383 -8.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.710 -0.969 -8.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.427 -1.833 -9.529 1.00 0.00 H new ATOM 1562 N ARG A 100 -10.393 5.242 -5.895 1.00 0.00 N ATOM 1563 CA ARG A 100 -10.292 6.571 -6.476 1.00 0.00 C ATOM 1564 C ARG A 100 -9.729 7.571 -5.462 1.00 0.00 C ATOM 1565 O ARG A 100 -9.217 8.627 -5.837 1.00 0.00 O ATOM 1566 CB ARG A 100 -11.654 7.030 -7.010 1.00 0.00 C ATOM 1567 CG ARG A 100 -11.636 8.409 -7.661 1.00 0.00 C ATOM 1568 CD ARG A 100 -10.499 8.550 -8.670 1.00 0.00 C ATOM 1569 NE ARG A 100 -10.652 7.668 -9.826 1.00 0.00 N ATOM 1570 CZ ARG A 100 -9.686 6.875 -10.296 1.00 0.00 C ATOM 1571 NH1 ARG A 100 -8.531 6.766 -9.656 1.00 0.00 N1+ ATOM 1572 NH2 ARG A 100 -9.884 6.179 -11.405 1.00 0.00 N ATOM 0 H ARG A 100 -11.172 5.116 -5.248 1.00 0.00 H new ATOM 0 HA ARG A 100 -9.598 6.526 -7.315 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -12.011 6.301 -7.738 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.370 7.037 -6.189 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -12.588 8.587 -8.161 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -11.533 9.173 -6.890 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -10.450 9.584 -9.012 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -9.552 8.332 -8.176 1.00 0.00 H new ATOM 0 HE ARG A 100 -11.553 7.658 -10.303 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -8.373 7.291 -8.796 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.800 6.157 -10.024 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.774 6.249 -11.899 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.147 5.573 -11.765 1.00 0.00 H new ATOM 1586 N ALA A 101 -9.799 7.231 -4.185 1.00 0.00 N ATOM 1587 CA ALA A 101 -9.272 8.102 -3.144 1.00 0.00 C ATOM 1588 C ALA A 101 -8.061 7.472 -2.475 1.00 0.00 C ATOM 1589 O ALA A 101 -7.958 7.466 -1.251 1.00 0.00 O ATOM 1590 CB ALA A 101 -10.341 8.430 -2.110 1.00 0.00 C ATOM 0 H ALA A 101 -10.213 6.363 -3.844 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.960 9.034 -3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.919 9.082 -1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.175 8.935 -2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.694 7.509 -1.647 1.00 0.00 H new ATOM 1596 N SER A 102 -7.151 6.934 -3.282 1.00 0.00 N ATOM 1597 CA SER A 102 -5.942 6.319 -2.754 1.00 0.00 C ATOM 1598 C SER A 102 -4.896 7.387 -2.449 1.00 0.00 C ATOM 1599 O SER A 102 -4.323 7.994 -3.355 1.00 0.00 O ATOM 1600 CB SER A 102 -5.382 5.290 -3.736 1.00 0.00 C ATOM 1601 OG SER A 102 -6.414 4.465 -4.253 1.00 0.00 O ATOM 0 H SER A 102 -7.229 6.912 -4.299 1.00 0.00 H new ATOM 0 HA SER A 102 -6.196 5.802 -1.828 1.00 0.00 H new ATOM 0 HB2 SER A 102 -4.876 5.802 -4.555 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.635 4.674 -3.236 1.00 0.00 H new ATOM 0 HG SER A 102 -7.198 4.516 -3.667 1.00 0.00 H new ATOM 1607 N PRO A 103 -4.666 7.654 -1.159 1.00 0.00 N ATOM 1608 CA PRO A 103 -3.733 8.660 -0.706 1.00 0.00 C ATOM 1609 C PRO A 103 -2.386 8.083 -0.275 1.00 0.00 C ATOM 1610 O PRO A 103 -2.196 6.868 -0.228 1.00 0.00 O ATOM 1611 CB PRO A 103 -4.473 9.236 0.497 1.00 0.00 C ATOM 1612 CG PRO A 103 -5.318 8.111 1.028 1.00 0.00 C ATOM 1613 CD PRO A 103 -5.321 7.017 -0.017 1.00 0.00 C ATOM 0 HA PRO A 103 -3.477 9.377 -1.486 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -3.774 9.592 1.254 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.090 10.087 0.207 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.916 7.740 1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.333 8.454 1.228 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.777 6.135 0.320 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.333 6.694 -0.260 1.00 0.00 H new ATOM 1621 N LEU A 104 -1.465 8.973 0.051 1.00 0.00 N ATOM 1622 CA LEU A 104 -0.133 8.597 0.500 1.00 0.00 C ATOM 1623 C LEU A 104 0.322 9.579 1.577 1.00 0.00 C ATOM 1624 O LEU A 104 0.890 10.624 1.265 1.00 0.00 O ATOM 1625 CB LEU A 104 0.841 8.623 -0.685 1.00 0.00 C ATOM 1626 CG LEU A 104 2.263 8.147 -0.387 1.00 0.00 C ATOM 1627 CD1 LEU A 104 2.326 6.630 -0.328 1.00 0.00 C ATOM 1628 CD2 LEU A 104 3.222 8.678 -1.436 1.00 0.00 C ATOM 0 H LEU A 104 -1.619 9.981 0.012 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.152 7.588 0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.430 8.004 -1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.892 9.643 -1.067 1.00 0.00 H new ATOM 0 HG LEU A 104 2.558 8.535 0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.348 6.316 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.664 6.269 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.012 6.215 -1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.232 8.333 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.923 8.315 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.201 9.768 -1.429 1.00 0.00 H new ATOM 1640 N PRO A 105 0.038 9.278 2.857 1.00 0.00 N ATOM 1641 CA PRO A 105 0.373 10.180 3.957 1.00 0.00 C ATOM 1642 C PRO A 105 1.877 10.307 4.155 1.00 0.00 C ATOM 1643 O PRO A 105 2.438 11.392 4.018 1.00 0.00 O ATOM 1644 CB PRO A 105 -0.286 9.563 5.190 1.00 0.00 C ATOM 1645 CG PRO A 105 -0.728 8.187 4.809 1.00 0.00 C ATOM 1646 CD PRO A 105 -0.614 8.041 3.314 1.00 0.00 C ATOM 0 HA PRO A 105 0.020 11.192 3.758 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.415 9.525 6.024 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -1.135 10.164 5.515 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.112 7.440 5.310 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.757 8.018 5.128 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -0.025 7.163 3.047 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.595 7.919 2.854 1.00 0.00 H new ATOM 1654 N THR A 106 2.524 9.198 4.479 1.00 0.00 N ATOM 1655 CA THR A 106 3.969 9.176 4.563 1.00 0.00 C ATOM 1656 C THR A 106 4.555 9.076 3.161 1.00 0.00 C ATOM 1657 O THR A 106 4.285 8.121 2.436 1.00 0.00 O ATOM 1658 CB THR A 106 4.482 8.019 5.459 1.00 0.00 C ATOM 1659 OG1 THR A 106 5.915 7.973 5.436 1.00 0.00 O ATOM 1660 CG2 THR A 106 3.915 6.674 5.023 1.00 0.00 C ATOM 0 H THR A 106 2.071 8.308 4.686 1.00 0.00 H new ATOM 0 HA THR A 106 4.298 10.104 5.030 1.00 0.00 H new ATOM 0 HB THR A 106 4.140 8.214 6.475 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.228 7.240 6.006 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.298 5.889 5.675 1.00 0.00 H new ATOM 0 HG22 THR A 106 2.827 6.700 5.086 1.00 0.00 H new ATOM 0 HG23 THR A 106 4.214 6.469 3.995 1.00 0.00 H new ATOM 1668 N PRO A 107 5.310 10.102 2.740 1.00 0.00 N ATOM 1669 CA PRO A 107 5.932 10.143 1.425 1.00 0.00 C ATOM 1670 C PRO A 107 7.213 9.316 1.383 1.00 0.00 C ATOM 1671 O PRO A 107 8.258 9.747 1.879 1.00 0.00 O ATOM 1672 CB PRO A 107 6.241 11.636 1.208 1.00 0.00 C ATOM 1673 CG PRO A 107 5.718 12.350 2.420 1.00 0.00 C ATOM 1674 CD PRO A 107 5.609 11.316 3.502 1.00 0.00 C ATOM 0 HA PRO A 107 5.288 9.724 0.652 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.312 11.799 1.092 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.762 12.005 0.301 1.00 0.00 H new ATOM 0 HG2 PRO A 107 6.390 13.155 2.717 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.748 12.803 2.216 1.00 0.00 H new ATOM 0 HD2 PRO A 107 6.534 11.222 4.071 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.820 11.554 4.215 1.00 0.00 H new ATOM 1682 N PRO A 108 7.151 8.116 0.789 1.00 0.00 N ATOM 1683 CA PRO A 108 8.287 7.205 0.724 1.00 0.00 C ATOM 1684 C PRO A 108 9.237 7.567 -0.410 1.00 0.00 C ATOM 1685 O PRO A 108 9.342 6.850 -1.408 1.00 0.00 O ATOM 1686 CB PRO A 108 7.608 5.864 0.467 1.00 0.00 C ATOM 1687 CG PRO A 108 6.461 6.226 -0.408 1.00 0.00 C ATOM 1688 CD PRO A 108 5.963 7.545 0.120 1.00 0.00 C ATOM 0 HA PRO A 108 8.907 7.222 1.620 1.00 0.00 H new ATOM 0 HB2 PRO A 108 8.281 5.159 -0.022 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.276 5.397 1.394 1.00 0.00 H new ATOM 0 HG2 PRO A 108 6.771 6.311 -1.449 1.00 0.00 H new ATOM 0 HG3 PRO A 108 5.681 5.466 -0.369 1.00 0.00 H new ATOM 0 HD2 PRO A 108 5.605 8.190 -0.683 1.00 0.00 H new ATOM 0 HD3 PRO A 108 5.135 7.412 0.816 1.00 0.00 H new ATOM 1696 N ALA A 109 9.916 8.696 -0.260 1.00 0.00 N ATOM 1697 CA ALA A 109 10.877 9.145 -1.254 1.00 0.00 C ATOM 1698 C ALA A 109 11.958 8.094 -1.430 1.00 0.00 C ATOM 1699 O ALA A 109 12.315 7.733 -2.549 1.00 0.00 O ATOM 1700 CB ALA A 109 11.481 10.484 -0.854 1.00 0.00 C ATOM 0 H ALA A 109 9.818 9.318 0.543 1.00 0.00 H new ATOM 0 HA ALA A 109 10.364 9.284 -2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 109 12.197 10.801 -1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.690 11.229 -0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 109 11.989 10.382 0.105 1.00 0.00 H new ATOM 1706 N ASP A 110 12.406 7.554 -0.306 1.00 0.00 N ATOM 1707 CA ASP A 110 13.433 6.518 -0.277 1.00 0.00 C ATOM 1708 C ASP A 110 12.932 5.204 -0.876 1.00 0.00 C ATOM 1709 O ASP A 110 13.656 4.206 -0.896 1.00 0.00 O ATOM 1710 CB ASP A 110 13.887 6.284 1.166 1.00 0.00 C ATOM 1711 CG ASP A 110 12.729 5.953 2.090 1.00 0.00 C ATOM 1712 OD1 ASP A 110 11.972 6.881 2.453 1.00 0.00 O ATOM 1713 OD2 ASP A 110 12.571 4.770 2.460 1.00 0.00 O1- ATOM 0 H ASP A 110 12.067 7.822 0.618 1.00 0.00 H new ATOM 0 HA ASP A 110 14.271 6.863 -0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 110 14.611 5.469 1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 110 14.398 7.175 1.532 1.00 0.00 H new ATOM 1718 N ALA A 111 11.695 5.203 -1.356 1.00 0.00 N ATOM 1719 CA ALA A 111 11.114 4.020 -1.965 1.00 0.00 C ATOM 1720 C ALA A 111 10.882 4.215 -3.458 1.00 0.00 C ATOM 1721 O ALA A 111 11.054 3.287 -4.246 1.00 0.00 O ATOM 1722 CB ALA A 111 9.803 3.670 -1.281 1.00 0.00 C ATOM 0 H ALA A 111 11.075 6.013 -1.334 1.00 0.00 H new ATOM 0 HA ALA A 111 11.821 3.200 -1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 111 9.376 2.781 -1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 111 9.985 3.475 -0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 111 9.106 4.502 -1.382 1.00 0.00 H new ATOM 1728 N TYR A 112 10.510 5.427 -3.855 1.00 0.00 N ATOM 1729 CA TYR A 112 10.083 5.653 -5.229 1.00 0.00 C ATOM 1730 C TYR A 112 10.948 6.640 -5.980 1.00 0.00 C ATOM 1731 O TYR A 112 10.533 7.182 -7.006 1.00 0.00 O ATOM 1732 CB TYR A 112 8.614 6.038 -5.324 1.00 0.00 C ATOM 1733 CG TYR A 112 8.153 7.230 -4.514 1.00 0.00 C ATOM 1734 CD1 TYR A 112 8.956 8.343 -4.292 1.00 0.00 C ATOM 1735 CD2 TYR A 112 6.878 7.230 -3.980 1.00 0.00 C ATOM 1736 CE1 TYR A 112 8.492 9.413 -3.553 1.00 0.00 C ATOM 1737 CE2 TYR A 112 6.405 8.287 -3.246 1.00 0.00 C ATOM 1738 CZ TYR A 112 7.214 9.381 -3.031 1.00 0.00 C ATOM 1739 OH TYR A 112 6.745 10.441 -2.291 1.00 0.00 O ATOM 0 H TYR A 112 10.495 6.253 -3.257 1.00 0.00 H new ATOM 0 HA TYR A 112 10.212 4.690 -5.722 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.384 6.233 -6.371 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.020 5.176 -5.022 1.00 0.00 H new ATOM 0 HD1 TYR A 112 9.955 8.371 -4.702 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.238 6.376 -4.145 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.126 10.271 -3.384 1.00 0.00 H new ATOM 0 HE2 TYR A 112 5.405 8.262 -2.839 1.00 0.00 H new ATOM 0 HH TYR A 112 7.439 11.130 -2.230 1.00 0.00 H new ATOM 1749 N VAL A 113 12.130 6.892 -5.474 1.00 0.00 N ATOM 1750 CA VAL A 113 13.092 7.682 -6.232 1.00 0.00 C ATOM 1751 C VAL A 113 13.586 6.842 -7.405 1.00 0.00 C ATOM 1752 O VAL A 113 14.585 6.132 -7.319 1.00 0.00 O ATOM 1753 CB VAL A 113 14.292 8.169 -5.381 1.00 0.00 C ATOM 1754 CG1 VAL A 113 13.900 9.389 -4.559 1.00 0.00 C ATOM 1755 CG2 VAL A 113 14.820 7.061 -4.472 1.00 0.00 C ATOM 0 H VAL A 113 12.453 6.573 -4.560 1.00 0.00 H new ATOM 0 HA VAL A 113 12.585 8.582 -6.579 1.00 0.00 H new ATOM 0 HB VAL A 113 15.093 8.447 -6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 113 14.754 9.719 -3.967 1.00 0.00 H new ATOM 0 HG12 VAL A 113 13.589 10.193 -5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 113 13.076 9.130 -3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 113 15.661 7.438 -3.890 1.00 0.00 H new ATOM 0 HG22 VAL A 113 14.028 6.736 -3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 113 15.148 6.217 -5.079 1.00 0.00 H new ATOM 1765 N ASN A 114 12.847 6.968 -8.502 1.00 0.00 N ATOM 1766 CA ASN A 114 12.978 6.128 -9.688 1.00 0.00 C ATOM 1767 C ASN A 114 11.690 6.260 -10.490 1.00 0.00 C ATOM 1768 O ASN A 114 11.668 6.083 -11.705 1.00 0.00 O ATOM 1769 CB ASN A 114 13.202 4.641 -9.336 1.00 0.00 C ATOM 1770 CG ASN A 114 11.950 3.932 -8.824 1.00 0.00 C ATOM 1771 OD1 ASN A 114 11.184 3.364 -9.600 1.00 0.00 O ATOM 1772 ND2 ASN A 114 11.737 3.956 -7.516 1.00 0.00 N ATOM 0 H ASN A 114 12.120 7.677 -8.594 1.00 0.00 H new ATOM 0 HA ASN A 114 13.849 6.459 -10.254 1.00 0.00 H new ATOM 0 HB2 ASN A 114 13.567 4.119 -10.221 1.00 0.00 H new ATOM 0 HB3 ASN A 114 13.983 4.570 -8.579 1.00 0.00 H new ATOM 0 HD21 ASN A 114 10.917 3.494 -7.124 1.00 0.00 H new ATOM 0 HD22 ASN A 114 12.394 4.437 -6.901 1.00 0.00 H new ATOM 1779 N GLY A 115 10.615 6.575 -9.771 1.00 0.00 N ATOM 1780 CA GLY A 115 9.318 6.744 -10.386 1.00 0.00 C ATOM 1781 C GLY A 115 8.229 6.985 -9.356 1.00 0.00 C ATOM 1782 O GLY A 115 7.956 8.129 -8.996 1.00 0.00 O ATOM 0 H GLY A 115 10.625 6.717 -8.761 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.352 7.583 -11.081 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.075 5.856 -10.970 1.00 0.00 H new ATOM 1786 N THR A 116 7.641 5.902 -8.853 1.00 0.00 N ATOM 1787 CA THR A 116 6.495 5.968 -7.945 1.00 0.00 C ATOM 1788 C THR A 116 6.365 4.657 -7.171 1.00 0.00 C ATOM 1789 O THR A 116 7.124 3.717 -7.417 1.00 0.00 O ATOM 1790 CB THR A 116 5.188 6.259 -8.711 1.00 0.00 C ATOM 1791 OG1 THR A 116 5.253 5.696 -10.028 1.00 0.00 O ATOM 1792 CG2 THR A 116 4.920 7.756 -8.791 1.00 0.00 C ATOM 0 H THR A 116 7.945 4.951 -9.063 1.00 0.00 H new ATOM 0 HA THR A 116 6.666 6.786 -7.246 1.00 0.00 H new ATOM 0 HB THR A 116 4.365 5.798 -8.166 1.00 0.00 H new ATOM 0 HG1 THR A 116 4.418 5.884 -10.506 1.00 0.00 H new ATOM 0 HG21 THR A 116 3.993 7.931 -9.336 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.832 8.164 -7.784 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.744 8.246 -9.310 1.00 0.00 H new ATOM 1800 N VAL A 117 5.418 4.585 -6.233 1.00 0.00 N ATOM 1801 CA VAL A 117 5.287 3.405 -5.386 1.00 0.00 C ATOM 1802 C VAL A 117 4.123 2.545 -5.838 1.00 0.00 C ATOM 1803 O VAL A 117 2.958 2.916 -5.690 1.00 0.00 O ATOM 1804 CB VAL A 117 5.083 3.758 -3.889 1.00 0.00 C ATOM 1805 CG1 VAL A 117 6.400 4.116 -3.225 1.00 0.00 C ATOM 1806 CG2 VAL A 117 4.081 4.895 -3.716 1.00 0.00 C ATOM 0 H VAL A 117 4.739 5.323 -6.044 1.00 0.00 H new ATOM 0 HA VAL A 117 6.226 2.860 -5.486 1.00 0.00 H new ATOM 0 HB VAL A 117 4.680 2.870 -3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 117 6.225 4.359 -2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.083 3.269 -3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.839 4.977 -3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 117 3.962 5.117 -2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.445 5.783 -4.234 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.119 4.599 -4.135 1.00 0.00 H new ATOM 1816 N GLU A 118 4.457 1.405 -6.408 1.00 0.00 N ATOM 1817 CA GLU A 118 3.471 0.440 -6.845 1.00 0.00 C ATOM 1818 C GLU A 118 3.443 -0.691 -5.825 1.00 0.00 C ATOM 1819 O GLU A 118 4.415 -1.438 -5.700 1.00 0.00 O ATOM 1820 CB GLU A 118 3.872 -0.062 -8.239 1.00 0.00 C ATOM 1821 CG GLU A 118 2.735 -0.617 -9.081 1.00 0.00 C ATOM 1822 CD GLU A 118 2.265 -1.976 -8.628 1.00 0.00 C ATOM 1823 OE1 GLU A 118 3.117 -2.830 -8.324 1.00 0.00 O ATOM 1824 OE2 GLU A 118 1.041 -2.206 -8.605 1.00 0.00 O1- ATOM 0 H GLU A 118 5.422 1.122 -6.581 1.00 0.00 H new ATOM 0 HA GLU A 118 2.474 0.875 -6.913 1.00 0.00 H new ATOM 0 HB2 GLU A 118 4.338 0.760 -8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 118 4.629 -0.838 -8.124 1.00 0.00 H new ATOM 0 HG2 GLU A 118 1.896 0.079 -9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 118 3.059 -0.680 -10.120 1.00 0.00 H new ATOM 1831 N LEU A 119 2.350 -0.809 -5.083 1.00 0.00 N ATOM 1832 CA LEU A 119 2.316 -1.732 -3.961 1.00 0.00 C ATOM 1833 C LEU A 119 0.903 -2.242 -3.684 1.00 0.00 C ATOM 1834 O LEU A 119 -0.088 -1.611 -4.059 1.00 0.00 O ATOM 1835 CB LEU A 119 2.923 -1.062 -2.712 1.00 0.00 C ATOM 1836 CG LEU A 119 2.066 -0.002 -1.995 1.00 0.00 C ATOM 1837 CD1 LEU A 119 1.266 -0.648 -0.885 1.00 0.00 C ATOM 1838 CD2 LEU A 119 2.946 1.110 -1.435 1.00 0.00 C ATOM 0 H LEU A 119 1.488 -0.285 -5.235 1.00 0.00 H new ATOM 0 HA LEU A 119 2.917 -2.603 -4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.164 -1.844 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 119 3.864 -0.595 -3.003 1.00 0.00 H new ATOM 0 HG LEU A 119 1.378 0.437 -2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 119 0.663 0.109 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.613 -1.413 -1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.945 -1.106 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 119 2.322 1.849 -0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.655 0.689 -0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.490 1.588 -2.249 1.00 0.00 H new ATOM 1850 N THR A 120 0.828 -3.403 -3.046 1.00 0.00 N ATOM 1851 CA THR A 120 -0.443 -4.027 -2.724 1.00 0.00 C ATOM 1852 C THR A 120 -0.873 -3.698 -1.299 1.00 0.00 C ATOM 1853 O THR A 120 -0.117 -3.914 -0.350 1.00 0.00 O ATOM 1854 CB THR A 120 -0.363 -5.559 -2.856 1.00 0.00 C ATOM 1855 OG1 THR A 120 0.071 -5.922 -4.170 1.00 0.00 O ATOM 1856 CG2 THR A 120 -1.714 -6.198 -2.565 1.00 0.00 C ATOM 0 H THR A 120 1.643 -3.934 -2.740 1.00 0.00 H new ATOM 0 HA THR A 120 -1.171 -3.632 -3.432 1.00 0.00 H new ATOM 0 HB THR A 120 0.360 -5.925 -2.127 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.119 -6.898 -4.240 1.00 0.00 H new ATOM 0 HG21 THR A 120 -1.633 -7.280 -2.664 1.00 0.00 H new ATOM 0 HG22 THR A 120 -2.023 -5.949 -1.550 1.00 0.00 H new ATOM 0 HG23 THR A 120 -2.454 -5.823 -3.272 1.00 0.00 H new ATOM 1864 N LEU A 121 -2.081 -3.181 -1.153 1.00 0.00 N ATOM 1865 CA LEU A 121 -2.659 -2.950 0.159 1.00 0.00 C ATOM 1866 C LEU A 121 -4.041 -3.570 0.236 1.00 0.00 C ATOM 1867 O LEU A 121 -4.806 -3.511 -0.716 1.00 0.00 O ATOM 1868 CB LEU A 121 -2.722 -1.455 0.471 1.00 0.00 C ATOM 1869 CG LEU A 121 -1.380 -0.837 0.849 1.00 0.00 C ATOM 1870 CD1 LEU A 121 -1.529 0.639 1.172 1.00 0.00 C ATOM 1871 CD2 LEU A 121 -0.767 -1.596 2.019 1.00 0.00 C ATOM 0 H LEU A 121 -2.683 -2.912 -1.931 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.021 -3.422 0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.119 -0.930 -0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.426 -1.295 1.288 1.00 0.00 H new ATOM 0 HG LEU A 121 -0.708 -0.917 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -0.556 1.053 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -1.921 1.164 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.216 0.761 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.191 -1.147 2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.438 -1.547 2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.615 -2.638 1.737 1.00 0.00 H new ATOM 1883 N PRO A 122 -4.371 -4.221 1.350 1.00 0.00 N ATOM 1884 CA PRO A 122 -5.678 -4.817 1.541 1.00 0.00 C ATOM 1885 C PRO A 122 -6.676 -3.830 2.127 1.00 0.00 C ATOM 1886 O PRO A 122 -6.481 -3.311 3.228 1.00 0.00 O ATOM 1887 CB PRO A 122 -5.410 -5.954 2.537 1.00 0.00 C ATOM 1888 CG PRO A 122 -3.977 -5.814 2.960 1.00 0.00 C ATOM 1889 CD PRO A 122 -3.512 -4.460 2.501 1.00 0.00 C ATOM 0 HA PRO A 122 -6.116 -5.150 0.600 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -6.078 -5.884 3.396 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -5.586 -6.925 2.075 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -3.884 -5.907 4.042 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -3.366 -6.601 2.518 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -3.642 -3.701 3.272 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -2.456 -4.461 2.229 1.00 0.00 H new ATOM 1897 N ILE A 123 -7.747 -3.578 1.394 1.00 0.00 N ATOM 1898 CA ILE A 123 -8.836 -2.781 1.921 1.00 0.00 C ATOM 1899 C ILE A 123 -9.918 -3.703 2.451 1.00 0.00 C ATOM 1900 O ILE A 123 -10.742 -4.235 1.702 1.00 0.00 O ATOM 1901 CB ILE A 123 -9.427 -1.783 0.894 1.00 0.00 C ATOM 1902 CG1 ILE A 123 -9.680 -2.423 -0.484 1.00 0.00 C ATOM 1903 CG2 ILE A 123 -8.503 -0.590 0.755 1.00 0.00 C ATOM 1904 CD1 ILE A 123 -10.599 -1.594 -1.352 1.00 0.00 C ATOM 0 H ILE A 123 -7.884 -3.912 0.440 1.00 0.00 H new ATOM 0 HA ILE A 123 -8.428 -2.170 2.726 1.00 0.00 H new ATOM 0 HB ILE A 123 -10.397 -1.463 1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -8.728 -2.560 -0.997 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -10.113 -3.414 -0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -8.920 0.111 0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -8.399 -0.096 1.721 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.524 -0.926 0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -10.742 -2.093 -2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.563 -1.479 -0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -10.156 -0.612 -1.517 1.00 0.00 H new ATOM 1916 N ASP A 124 -9.891 -3.911 3.755 1.00 0.00 N ATOM 1917 CA ASP A 124 -10.778 -4.869 4.384 1.00 0.00 C ATOM 1918 C ASP A 124 -12.018 -4.202 4.970 1.00 0.00 C ATOM 1919 O ASP A 124 -11.937 -3.231 5.728 1.00 0.00 O ATOM 1920 CB ASP A 124 -10.025 -5.653 5.472 1.00 0.00 C ATOM 1921 CG ASP A 124 -9.447 -4.776 6.573 1.00 0.00 C ATOM 1922 OD1 ASP A 124 -8.408 -4.108 6.345 1.00 0.00 O ATOM 1923 OD2 ASP A 124 -10.003 -4.776 7.691 1.00 0.00 O1- ATOM 0 H ASP A 124 -9.264 -3.428 4.398 1.00 0.00 H new ATOM 0 HA ASP A 124 -11.117 -5.560 3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -10.704 -6.380 5.918 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -9.216 -6.216 5.007 1.00 0.00 H new ATOM 1928 N PHE A 125 -13.168 -4.709 4.554 1.00 0.00 N ATOM 1929 CA PHE A 125 -14.448 -4.382 5.160 1.00 0.00 C ATOM 1930 C PHE A 125 -14.994 -5.645 5.809 1.00 0.00 C ATOM 1931 O PHE A 125 -14.682 -6.743 5.361 1.00 0.00 O ATOM 1932 CB PHE A 125 -15.426 -3.847 4.107 1.00 0.00 C ATOM 1933 CG PHE A 125 -14.940 -2.610 3.408 1.00 0.00 C ATOM 1934 CD1 PHE A 125 -14.125 -2.704 2.291 1.00 0.00 C ATOM 1935 CD2 PHE A 125 -15.293 -1.354 3.872 1.00 0.00 C ATOM 1936 CE1 PHE A 125 -13.672 -1.568 1.650 1.00 0.00 C ATOM 1937 CE2 PHE A 125 -14.842 -0.214 3.236 1.00 0.00 C ATOM 1938 CZ PHE A 125 -14.030 -0.320 2.123 1.00 0.00 C ATOM 0 H PHE A 125 -13.239 -5.366 3.777 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.320 -3.601 5.909 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.610 -4.625 3.366 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.381 -3.632 4.586 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -13.841 -3.677 1.918 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -15.928 -1.265 4.741 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -13.038 -1.655 0.780 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -15.124 0.760 3.608 1.00 0.00 H new ATOM 0 HZ PHE A 125 -13.676 0.570 1.624 1.00 0.00 H new ATOM 1948 N SER A 126 -15.786 -5.501 6.857 1.00 0.00 N ATOM 1949 CA SER A 126 -16.299 -6.660 7.578 1.00 0.00 C ATOM 1950 C SER A 126 -17.229 -7.494 6.698 1.00 0.00 C ATOM 1951 O SER A 126 -18.389 -7.140 6.505 1.00 0.00 O ATOM 1952 CB SER A 126 -17.047 -6.190 8.819 1.00 0.00 C ATOM 1953 OG SER A 126 -16.303 -5.193 9.499 1.00 0.00 O ATOM 0 H SER A 126 -16.088 -4.600 7.228 1.00 0.00 H new ATOM 0 HA SER A 126 -15.456 -7.288 7.866 1.00 0.00 H new ATOM 0 HB2 SER A 126 -18.022 -5.794 8.535 1.00 0.00 H new ATOM 0 HB3 SER A 126 -17.227 -7.035 9.484 1.00 0.00 H new ATOM 0 HG SER A 126 -15.967 -5.556 10.345 1.00 0.00 H new ATOM 1959 N LEU A 127 -16.715 -8.610 6.191 1.00 0.00 N ATOM 1960 CA LEU A 127 -17.490 -9.502 5.333 1.00 0.00 C ATOM 1961 C LEU A 127 -18.166 -10.579 6.172 1.00 0.00 C ATOM 1962 O LEU A 127 -17.552 -11.592 6.503 1.00 0.00 O ATOM 1963 CB LEU A 127 -16.576 -10.156 4.285 1.00 0.00 C ATOM 1964 CG LEU A 127 -17.115 -10.190 2.849 1.00 0.00 C ATOM 1965 CD1 LEU A 127 -16.071 -10.756 1.903 1.00 0.00 C ATOM 1966 CD2 LEU A 127 -18.392 -11.002 2.747 1.00 0.00 C ATOM 0 H LEU A 127 -15.758 -8.920 6.361 1.00 0.00 H new ATOM 0 HA LEU A 127 -18.254 -8.917 4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -15.623 -9.626 4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -16.371 -11.179 4.599 1.00 0.00 H new ATOM 0 HG LEU A 127 -17.343 -9.163 2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -16.470 -10.773 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -15.178 -10.132 1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -15.815 -11.770 2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -18.742 -11.002 1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -18.198 -12.027 3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -19.155 -10.562 3.389 1.00 0.00 H new ATOM 1978 N ARG A 128 -19.418 -10.347 6.543 1.00 0.00 N ATOM 1979 CA ARG A 128 -20.183 -11.330 7.285 1.00 0.00 C ATOM 1980 C ARG A 128 -20.752 -12.377 6.339 1.00 0.00 C ATOM 1981 O ARG A 128 -20.557 -13.576 6.531 1.00 0.00 O ATOM 1982 CB ARG A 128 -21.320 -10.660 8.052 1.00 0.00 C ATOM 1983 CG ARG A 128 -20.861 -9.735 9.165 1.00 0.00 C ATOM 1984 CD ARG A 128 -22.042 -9.197 9.960 1.00 0.00 C ATOM 1985 NE ARG A 128 -22.913 -8.335 9.159 1.00 0.00 N ATOM 1986 CZ ARG A 128 -24.193 -8.091 9.455 1.00 0.00 C ATOM 1987 NH1 ARG A 128 -24.776 -8.712 10.475 1.00 0.00 N1+ ATOM 1988 NH2 ARG A 128 -24.895 -7.241 8.718 1.00 0.00 N ATOM 0 H ARG A 128 -19.923 -9.484 6.340 1.00 0.00 H new ATOM 0 HA ARG A 128 -19.515 -11.814 7.998 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -21.930 -10.091 7.351 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -21.960 -11.432 8.478 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -20.186 -10.272 9.831 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -20.297 -8.904 8.741 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -22.623 -10.032 10.351 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -21.672 -8.637 10.819 1.00 0.00 H new ATOM 0 HE ARG A 128 -22.520 -7.895 8.327 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -24.246 -9.379 11.036 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -25.753 -8.522 10.697 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -24.458 -6.773 7.924 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -25.872 -7.056 8.945 1.00 0.00 H new ATOM 2002 N GLY A 129 -21.451 -11.915 5.314 1.00 0.00 N ATOM 2003 CA GLY A 129 -22.058 -12.823 4.367 1.00 0.00 C ATOM 2004 C GLY A 129 -22.512 -12.127 3.106 1.00 0.00 C ATOM 2005 O GLY A 129 -23.697 -11.828 2.943 1.00 0.00 O ATOM 0 H GLY A 129 -21.608 -10.926 5.122 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -21.343 -13.605 4.109 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -22.912 -13.313 4.835 1.00 0.00 H new ATOM 2009 N ALA A 130 -21.571 -11.859 2.217 1.00 0.00 N ATOM 2010 CA ALA A 130 -21.871 -11.231 0.944 1.00 0.00 C ATOM 2011 C ALA A 130 -20.959 -11.794 -0.132 1.00 0.00 C ATOM 2012 O ALA A 130 -19.994 -12.493 0.168 1.00 0.00 O ATOM 2013 CB ALA A 130 -21.718 -9.721 1.040 1.00 0.00 C ATOM 0 H ALA A 130 -20.583 -12.070 2.357 1.00 0.00 H new ATOM 0 HA ALA A 130 -22.906 -11.447 0.679 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -21.948 -9.270 0.075 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -22.403 -9.333 1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -20.694 -9.476 1.320 1.00 0.00 H new ATOM 2019 N GLY A 131 -21.270 -11.496 -1.379 1.00 0.00 N ATOM 2020 CA GLY A 131 -20.488 -12.019 -2.477 1.00 0.00 C ATOM 2021 C GLY A 131 -21.055 -13.323 -2.988 1.00 0.00 C ATOM 2022 O GLY A 131 -21.268 -13.490 -4.190 1.00 0.00 O ATOM 0 H GLY A 131 -22.051 -10.900 -1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -20.462 -11.290 -3.287 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -19.459 -12.171 -2.152 1.00 0.00 H new ATOM 2026 N PHE A 132 -21.303 -14.245 -2.070 1.00 0.00 N ATOM 2027 CA PHE A 132 -21.932 -15.509 -2.404 1.00 0.00 C ATOM 2028 C PHE A 132 -23.433 -15.434 -2.131 1.00 0.00 C ATOM 2029 O PHE A 132 -23.881 -15.859 -1.050 1.00 0.00 O ATOM 2030 CB PHE A 132 -21.272 -16.679 -1.644 1.00 0.00 C ATOM 2031 CG PHE A 132 -21.064 -16.458 -0.161 1.00 0.00 C ATOM 2032 CD1 PHE A 132 -20.025 -15.659 0.298 1.00 0.00 C ATOM 2033 CD2 PHE A 132 -21.897 -17.062 0.771 1.00 0.00 C ATOM 2034 CE1 PHE A 132 -19.827 -15.463 1.653 1.00 0.00 C ATOM 2035 CE2 PHE A 132 -21.702 -16.872 2.127 1.00 0.00 C ATOM 2036 CZ PHE A 132 -20.666 -16.071 2.568 1.00 0.00 C ATOM 2037 OXT PHE A 132 -24.163 -14.916 -3.005 1.00 0.00 O ATOM 0 H PHE A 132 -21.075 -14.138 -1.082 1.00 0.00 H new ATOM 0 HA PHE A 132 -21.789 -15.700 -3.467 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -21.886 -17.569 -1.778 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -20.305 -16.887 -2.102 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -19.363 -15.185 -0.412 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -22.709 -17.689 0.432 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -19.018 -14.835 1.996 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -22.358 -17.349 2.840 1.00 0.00 H new ATOM 0 HZ PHE A 132 -20.512 -15.920 3.626 1.00 0.00 H new TER 2047 PHE A 132