USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 637 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 25 THR OG1 : rot -76:sc= -0.77 USER MOD Set 1.2: A 28 GLN : amide:sc= 0.0099 K(o=-0.76,f=-3.5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 25:sc= 0.0736 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 21:sc= 0.247 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.804 X(o=-0.8,f=-0.91) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.459 X(o=-0.46,f=-0.46) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.364 USER MOD Single : A 40 SER OG : rot -88:sc= 1.73 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0167) USER MOD Single : A 46 MET CE :methyl 158:sc= -2.28! (180deg=-4.16!) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -1.86 K(o=-1.9,f=-0.45) USER MOD Single : A 57 LYS NZ :NH3+ 154:sc= -0.402 (180deg=-1.41!) USER MOD Single : A 58 LYS NZ :NH3+ -163:sc= -0.0152 (180deg=-0.159) USER MOD Single : A 62 GLN : amide:sc= -0.0734 X(o=-0.073,f=-0.16) USER MOD Single : A 66 GLN : amide:sc= -0.251 X(o=-0.25,f=0) USER MOD Single : A 67 ASN : amide:sc= -5.37! C(o=-5.4!,f=-4.1!) USER MOD Single : A 68 THR OG1 : rot 54:sc= 1.14 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 49:sc= 0.329 USER MOD Single : A 78 SER OG : rot 55:sc= 0.394 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.889 -44.496 8.006 1.00 0.00 N ATOM 2 CA GLY A 1 -5.271 -44.427 8.443 1.00 0.00 C ATOM 3 C GLY A 1 -6.188 -43.862 7.377 1.00 0.00 C ATOM 4 O GLY A 1 -7.249 -44.423 7.101 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.303 -44.889 8.770 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.820 -45.107 7.167 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.552 -43.541 7.767 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.612 -45.425 8.719 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.335 -43.809 9.338 1.00 0.00 H new ATOM 8 N SER A 2 -5.781 -42.748 6.778 1.00 0.00 N ATOM 9 CA SER A 2 -6.578 -42.104 5.740 1.00 0.00 C ATOM 10 C SER A 2 -6.909 -43.086 4.621 1.00 0.00 C ATOM 11 O SER A 2 -6.035 -43.795 4.123 1.00 0.00 O ATOM 12 CB SER A 2 -5.830 -40.897 5.169 1.00 0.00 C ATOM 13 OG SER A 2 -4.554 -41.273 4.680 1.00 0.00 O ATOM 0 H SER A 2 -4.905 -42.273 6.993 1.00 0.00 H new ATOM 0 HA SER A 2 -7.511 -41.766 6.191 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.414 -40.450 4.364 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.717 -40.136 5.941 1.00 0.00 H new ATOM 0 HG SER A 2 -4.561 -42.225 4.446 1.00 0.00 H new ATOM 19 N SER A 3 -8.180 -43.123 4.232 1.00 0.00 N ATOM 20 CA SER A 3 -8.630 -44.021 3.175 1.00 0.00 C ATOM 21 C SER A 3 -8.376 -43.411 1.799 1.00 0.00 C ATOM 22 O SER A 3 -8.660 -42.236 1.567 1.00 0.00 O ATOM 23 CB SER A 3 -10.118 -44.332 3.341 1.00 0.00 C ATOM 24 OG SER A 3 -10.347 -45.136 4.485 1.00 0.00 O ATOM 0 H SER A 3 -8.916 -42.542 4.633 1.00 0.00 H new ATOM 0 HA SER A 3 -8.062 -44.948 3.253 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.679 -43.402 3.428 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.487 -44.845 2.453 1.00 0.00 H new ATOM 0 HG SER A 3 -11.306 -45.319 4.569 1.00 0.00 H new ATOM 30 N GLY A 4 -7.840 -44.219 0.890 1.00 0.00 N ATOM 31 CA GLY A 4 -7.556 -43.743 -0.451 1.00 0.00 C ATOM 32 C GLY A 4 -6.075 -43.526 -0.688 1.00 0.00 C ATOM 33 O GLY A 4 -5.640 -42.407 -0.959 1.00 0.00 O ATOM 0 H GLY A 4 -7.597 -45.195 1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.935 -44.463 -1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.089 -42.808 -0.622 1.00 0.00 H new ATOM 37 N SER A 5 -5.297 -44.599 -0.585 1.00 0.00 N ATOM 38 CA SER A 5 -3.855 -44.520 -0.785 1.00 0.00 C ATOM 39 C SER A 5 -3.466 -45.069 -2.154 1.00 0.00 C ATOM 40 O SER A 5 -3.084 -46.232 -2.283 1.00 0.00 O ATOM 41 CB SER A 5 -3.124 -45.293 0.314 1.00 0.00 C ATOM 42 OG SER A 5 -3.566 -44.894 1.599 1.00 0.00 O ATOM 0 H SER A 5 -5.641 -45.533 -0.364 1.00 0.00 H new ATOM 0 HA SER A 5 -3.563 -43.471 -0.737 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.292 -46.362 0.184 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.050 -45.126 0.227 1.00 0.00 H new ATOM 0 HG SER A 5 -3.085 -45.404 2.283 1.00 0.00 H new ATOM 48 N SER A 6 -3.565 -44.223 -3.175 1.00 0.00 N ATOM 49 CA SER A 6 -3.227 -44.623 -4.535 1.00 0.00 C ATOM 50 C SER A 6 -2.725 -43.430 -5.343 1.00 0.00 C ATOM 51 O SER A 6 -2.980 -42.278 -4.995 1.00 0.00 O ATOM 52 CB SER A 6 -4.445 -45.243 -5.224 1.00 0.00 C ATOM 53 OG SER A 6 -4.576 -46.614 -4.891 1.00 0.00 O ATOM 0 H SER A 6 -3.877 -43.256 -3.085 1.00 0.00 H new ATOM 0 HA SER A 6 -2.431 -45.365 -4.482 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.346 -44.706 -4.929 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.350 -45.135 -6.304 1.00 0.00 H new ATOM 0 HG SER A 6 -4.092 -46.796 -4.059 1.00 0.00 H new ATOM 59 N GLY A 7 -2.007 -43.717 -6.425 1.00 0.00 N ATOM 60 CA GLY A 7 -1.479 -42.659 -7.267 1.00 0.00 C ATOM 61 C GLY A 7 -2.512 -42.116 -8.234 1.00 0.00 C ATOM 62 O GLY A 7 -2.874 -42.781 -9.204 1.00 0.00 O ATOM 0 H GLY A 7 -1.782 -44.663 -6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.113 -41.847 -6.638 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.625 -43.038 -7.828 1.00 0.00 H new ATOM 66 N GLY A 8 -2.990 -40.904 -7.968 1.00 0.00 N ATOM 67 CA GLY A 8 -3.986 -40.294 -8.831 1.00 0.00 C ATOM 68 C GLY A 8 -4.524 -38.994 -8.266 1.00 0.00 C ATOM 69 O GLY A 8 -4.070 -37.912 -8.638 1.00 0.00 O ATOM 0 H GLY A 8 -2.706 -40.334 -7.171 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.547 -40.107 -9.811 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.811 -40.991 -8.979 1.00 0.00 H new ATOM 73 N THR A 9 -5.496 -39.100 -7.366 1.00 0.00 N ATOM 74 CA THR A 9 -6.099 -37.924 -6.751 1.00 0.00 C ATOM 75 C THR A 9 -5.657 -37.775 -5.300 1.00 0.00 C ATOM 76 O THR A 9 -6.453 -37.417 -4.432 1.00 0.00 O ATOM 77 CB THR A 9 -7.637 -37.988 -6.804 1.00 0.00 C ATOM 78 OG1 THR A 9 -8.098 -39.197 -6.190 1.00 0.00 O ATOM 79 CG2 THR A 9 -8.133 -37.922 -8.240 1.00 0.00 C ATOM 0 H THR A 9 -5.883 -39.988 -7.047 1.00 0.00 H new ATOM 0 HA THR A 9 -5.759 -37.060 -7.322 1.00 0.00 H new ATOM 0 HB THR A 9 -8.033 -37.130 -6.260 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.077 -39.230 -6.226 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.222 -37.969 -8.251 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.805 -36.988 -8.696 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.728 -38.762 -8.804 1.00 0.00 H new ATOM 87 N GLY A 10 -4.382 -38.051 -5.042 1.00 0.00 N ATOM 88 CA GLY A 10 -3.857 -37.941 -3.694 1.00 0.00 C ATOM 89 C GLY A 10 -2.352 -38.115 -3.642 1.00 0.00 C ATOM 90 O GLY A 10 -1.855 -39.193 -3.320 1.00 0.00 O ATOM 0 H GLY A 10 -3.704 -38.349 -5.743 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.121 -36.967 -3.283 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.329 -38.693 -3.061 1.00 0.00 H new ATOM 94 N GLY A 11 -1.623 -37.050 -3.962 1.00 0.00 N ATOM 95 CA GLY A 11 -0.174 -37.111 -3.946 1.00 0.00 C ATOM 96 C GLY A 11 0.467 -35.806 -4.376 1.00 0.00 C ATOM 97 O GLY A 11 1.337 -35.792 -5.246 1.00 0.00 O ATOM 0 H GLY A 11 -2.011 -36.146 -4.232 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.165 -37.365 -2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.160 -37.911 -4.607 1.00 0.00 H new ATOM 101 N GLU A 12 0.033 -34.707 -3.767 1.00 0.00 N ATOM 102 CA GLU A 12 0.569 -33.391 -4.095 1.00 0.00 C ATOM 103 C GLU A 12 0.950 -32.628 -2.829 1.00 0.00 C ATOM 104 O GLU A 12 0.468 -32.934 -1.739 1.00 0.00 O ATOM 105 CB GLU A 12 -0.453 -32.586 -4.900 1.00 0.00 C ATOM 106 CG GLU A 12 -0.491 -32.952 -6.375 1.00 0.00 C ATOM 107 CD GLU A 12 0.894 -33.095 -6.976 1.00 0.00 C ATOM 108 OE1 GLU A 12 1.508 -32.058 -7.302 1.00 0.00 O ATOM 109 OE2 GLU A 12 1.363 -34.243 -7.121 1.00 0.00 O ATOM 0 H GLU A 12 -0.687 -34.702 -3.045 1.00 0.00 H new ATOM 0 HA GLU A 12 1.466 -33.532 -4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.443 -32.739 -4.471 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.224 -31.525 -4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.035 -33.888 -6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.043 -32.187 -6.921 1.00 0.00 H new ATOM 116 N GLU A 13 1.819 -31.633 -2.984 1.00 0.00 N ATOM 117 CA GLU A 13 2.265 -30.828 -1.854 1.00 0.00 C ATOM 118 C GLU A 13 1.790 -29.384 -1.993 1.00 0.00 C ATOM 119 O GLU A 13 1.526 -28.894 -3.091 1.00 0.00 O ATOM 120 CB GLU A 13 3.791 -30.865 -1.744 1.00 0.00 C ATOM 121 CG GLU A 13 4.322 -32.123 -1.076 1.00 0.00 C ATOM 122 CD GLU A 13 4.396 -31.996 0.433 1.00 0.00 C ATOM 123 OE1 GLU A 13 5.319 -31.315 0.927 1.00 0.00 O ATOM 124 OE2 GLU A 13 3.530 -32.577 1.120 1.00 0.00 O ATOM 0 H GLU A 13 2.227 -31.366 -3.880 1.00 0.00 H new ATOM 0 HA GLU A 13 1.831 -31.250 -0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.221 -30.784 -2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.128 -29.995 -1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.681 -32.966 -1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.315 -32.346 -1.467 1.00 0.00 H new ATOM 131 N PRO A 14 1.677 -28.687 -0.853 1.00 0.00 N ATOM 132 CA PRO A 14 1.233 -27.290 -0.820 1.00 0.00 C ATOM 133 C PRO A 14 2.267 -26.339 -1.414 1.00 0.00 C ATOM 134 O PRO A 14 2.086 -25.122 -1.394 1.00 0.00 O ATOM 135 CB PRO A 14 1.047 -27.012 0.674 1.00 0.00 C ATOM 136 CG PRO A 14 1.956 -27.976 1.355 1.00 0.00 C ATOM 137 CD PRO A 14 1.975 -29.207 0.492 1.00 0.00 C ATOM 0 HA PRO A 14 0.331 -27.135 -1.412 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.306 -25.982 0.920 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.011 -27.162 0.979 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.957 -27.559 1.462 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.598 -28.208 2.358 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.944 -29.705 0.524 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.231 -29.935 0.815 1.00 0.00 H new ATOM 145 N GLN A 15 3.348 -26.903 -1.942 1.00 0.00 N ATOM 146 CA GLN A 15 4.410 -26.104 -2.542 1.00 0.00 C ATOM 147 C GLN A 15 3.940 -25.463 -3.843 1.00 0.00 C ATOM 148 O GLN A 15 3.951 -26.097 -4.898 1.00 0.00 O ATOM 149 CB GLN A 15 5.644 -26.970 -2.803 1.00 0.00 C ATOM 150 CG GLN A 15 6.923 -26.168 -2.983 1.00 0.00 C ATOM 151 CD GLN A 15 7.009 -25.505 -4.343 1.00 0.00 C ATOM 152 OE1 GLN A 15 6.818 -24.295 -4.470 1.00 0.00 O ATOM 153 NE2 GLN A 15 7.298 -26.295 -5.370 1.00 0.00 N ATOM 0 H GLN A 15 3.512 -27.909 -1.967 1.00 0.00 H new ATOM 0 HA GLN A 15 4.673 -25.311 -1.842 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.774 -27.663 -1.972 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.473 -27.571 -3.696 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.981 -25.405 -2.207 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.782 -26.826 -2.849 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.449 -27.293 -5.220 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.369 -25.904 -6.310 1.00 0.00 H new ATOM 162 N ARG A 16 3.528 -24.202 -3.761 1.00 0.00 N ATOM 163 CA ARG A 16 3.052 -23.476 -4.932 1.00 0.00 C ATOM 164 C ARG A 16 4.210 -22.794 -5.657 1.00 0.00 C ATOM 165 O ARG A 16 4.427 -23.018 -6.848 1.00 0.00 O ATOM 166 CB ARG A 16 2.008 -22.435 -4.524 1.00 0.00 C ATOM 167 CG ARG A 16 1.500 -21.595 -5.684 1.00 0.00 C ATOM 168 CD ARG A 16 2.403 -20.400 -5.945 1.00 0.00 C ATOM 169 NE ARG A 16 1.715 -19.345 -6.685 1.00 0.00 N ATOM 170 CZ ARG A 16 0.960 -18.416 -6.110 1.00 0.00 C ATOM 171 NH1 ARG A 16 0.797 -18.411 -4.794 1.00 0.00 N ATOM 172 NH2 ARG A 16 0.366 -17.489 -6.851 1.00 0.00 N ATOM 0 H ARG A 16 3.514 -23.662 -2.896 1.00 0.00 H new ATOM 0 HA ARG A 16 2.593 -24.194 -5.611 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.164 -22.943 -4.057 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.440 -21.776 -3.771 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.441 -22.210 -6.582 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.489 -21.248 -5.468 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.761 -20.002 -4.996 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.280 -20.724 -6.506 1.00 0.00 H new ATOM 0 HE ARG A 16 1.820 -19.321 -7.699 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.252 -19.122 -4.221 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.217 -17.696 -4.355 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.489 -17.489 -7.864 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.214 -16.776 -6.408 1.00 0.00 H new ATOM 186 N ASP A 17 4.948 -21.963 -4.930 1.00 0.00 N ATOM 187 CA ASP A 17 6.083 -21.249 -5.502 1.00 0.00 C ATOM 188 C ASP A 17 7.078 -20.851 -4.417 1.00 0.00 C ATOM 189 O ASP A 17 6.746 -20.833 -3.231 1.00 0.00 O ATOM 190 CB ASP A 17 5.605 -20.006 -6.254 1.00 0.00 C ATOM 191 CG ASP A 17 5.245 -20.304 -7.696 1.00 0.00 C ATOM 192 OD1 ASP A 17 5.851 -21.227 -8.280 1.00 0.00 O ATOM 193 OD2 ASP A 17 4.358 -19.614 -8.241 1.00 0.00 O ATOM 0 H ASP A 17 4.781 -21.767 -3.943 1.00 0.00 H new ATOM 0 HA ASP A 17 6.585 -21.917 -6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.736 -19.589 -5.745 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.386 -19.246 -6.227 1.00 0.00 H new ATOM 198 N LYS A 18 8.301 -20.534 -4.829 1.00 0.00 N ATOM 199 CA LYS A 18 9.346 -20.136 -3.893 1.00 0.00 C ATOM 200 C LYS A 18 9.967 -18.805 -4.305 1.00 0.00 C ATOM 201 O LYS A 18 10.147 -17.911 -3.478 1.00 0.00 O ATOM 202 CB LYS A 18 10.429 -21.214 -3.817 1.00 0.00 C ATOM 203 CG LYS A 18 11.494 -20.933 -2.772 1.00 0.00 C ATOM 204 CD LYS A 18 11.118 -21.517 -1.420 1.00 0.00 C ATOM 205 CE LYS A 18 12.301 -21.514 -0.464 1.00 0.00 C ATOM 206 NZ LYS A 18 12.694 -20.132 -0.072 1.00 0.00 N ATOM 0 H LYS A 18 8.593 -20.545 -5.806 1.00 0.00 H new ATOM 0 HA LYS A 18 8.892 -20.016 -2.909 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.960 -22.173 -3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.905 -21.308 -4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.445 -21.353 -3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.637 -19.857 -2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.299 -20.942 -0.989 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.757 -22.537 -1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.048 -22.087 0.428 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.149 -22.013 -0.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.503 -20.173 0.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.960 -19.593 -0.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.894 -19.664 0.399 1.00 0.00 H new ATOM 220 N ARG A 19 10.291 -18.680 -5.588 1.00 0.00 N ATOM 221 CA ARG A 19 10.892 -17.458 -6.109 1.00 0.00 C ATOM 222 C ARG A 19 9.817 -16.481 -6.577 1.00 0.00 C ATOM 223 O ARG A 19 8.762 -16.889 -7.065 1.00 0.00 O ATOM 224 CB ARG A 19 11.840 -17.783 -7.265 1.00 0.00 C ATOM 225 CG ARG A 19 11.133 -18.312 -8.502 1.00 0.00 C ATOM 226 CD ARG A 19 12.107 -18.532 -9.649 1.00 0.00 C ATOM 227 NE ARG A 19 13.010 -19.650 -9.393 1.00 0.00 N ATOM 228 CZ ARG A 19 13.617 -20.340 -10.352 1.00 0.00 C ATOM 229 NH1 ARG A 19 13.418 -20.027 -11.625 1.00 0.00 N ATOM 230 NH2 ARG A 19 14.425 -21.345 -10.040 1.00 0.00 N ATOM 0 H ARG A 19 10.147 -19.410 -6.286 1.00 0.00 H new ATOM 0 HA ARG A 19 11.459 -16.990 -5.305 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.396 -16.884 -7.531 1.00 0.00 H new ATOM 0 HB3 ARG A 19 12.569 -18.521 -6.930 1.00 0.00 H new ATOM 0 HG2 ARG A 19 10.633 -19.250 -8.263 1.00 0.00 H new ATOM 0 HG3 ARG A 19 10.360 -17.608 -8.810 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.550 -18.719 -10.567 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.690 -17.625 -9.809 1.00 0.00 H new ATOM 0 HE ARG A 19 13.185 -19.916 -8.424 1.00 0.00 H new ATOM 0 HH11 ARG A 19 12.798 -19.255 -11.869 1.00 0.00 H new ATOM 0 HH12 ARG A 19 13.885 -20.558 -12.360 1.00 0.00 H new ATOM 0 HH21 ARG A 19 14.581 -21.589 -9.062 1.00 0.00 H new ATOM 0 HH22 ARG A 19 14.890 -21.874 -10.778 1.00 0.00 H new ATOM 244 N LEU A 20 10.092 -15.190 -6.427 1.00 0.00 N ATOM 245 CA LEU A 20 9.149 -14.154 -6.834 1.00 0.00 C ATOM 246 C LEU A 20 9.862 -13.034 -7.585 1.00 0.00 C ATOM 247 O LEU A 20 10.993 -12.674 -7.256 1.00 0.00 O ATOM 248 CB LEU A 20 8.428 -13.585 -5.611 1.00 0.00 C ATOM 249 CG LEU A 20 7.437 -14.522 -4.920 1.00 0.00 C ATOM 250 CD1 LEU A 20 8.148 -15.381 -3.885 1.00 0.00 C ATOM 251 CD2 LEU A 20 6.312 -13.727 -4.274 1.00 0.00 C ATOM 0 H LEU A 20 10.960 -14.836 -6.026 1.00 0.00 H new ATOM 0 HA LEU A 20 8.416 -14.606 -7.503 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.178 -13.280 -4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.894 -12.685 -5.915 1.00 0.00 H new ATOM 0 HG LEU A 20 7.003 -15.180 -5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.427 -16.042 -3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.917 -15.978 -4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.610 -14.739 -3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.616 -14.411 -3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.728 -13.044 -3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.785 -13.156 -5.038 1.00 0.00 H new ATOM 263 N ARG A 21 9.193 -12.486 -8.593 1.00 0.00 N ATOM 264 CA ARG A 21 9.761 -11.406 -9.391 1.00 0.00 C ATOM 265 C ARG A 21 10.054 -10.185 -8.523 1.00 0.00 C ATOM 266 O ARG A 21 9.274 -9.840 -7.635 1.00 0.00 O ATOM 267 CB ARG A 21 8.808 -11.023 -10.524 1.00 0.00 C ATOM 268 CG ARG A 21 8.755 -12.045 -11.647 1.00 0.00 C ATOM 269 CD ARG A 21 8.045 -11.490 -12.872 1.00 0.00 C ATOM 270 NE ARG A 21 8.732 -10.323 -13.421 1.00 0.00 N ATOM 271 CZ ARG A 21 8.623 -9.934 -14.686 1.00 0.00 C ATOM 272 NH1 ARG A 21 7.858 -10.615 -15.529 1.00 0.00 N ATOM 273 NH2 ARG A 21 9.279 -8.862 -15.111 1.00 0.00 N ATOM 0 H ARG A 21 8.256 -12.772 -8.877 1.00 0.00 H new ATOM 0 HA ARG A 21 10.699 -11.760 -9.819 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.806 -10.892 -10.116 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.113 -10.060 -10.934 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.768 -12.344 -11.916 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.240 -12.941 -11.301 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.980 -12.265 -13.636 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.023 -11.218 -12.607 1.00 0.00 H new ATOM 0 HE ARG A 21 9.328 -9.777 -12.798 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.352 -11.440 -15.206 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.776 -10.314 -16.500 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.868 -8.335 -14.466 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.194 -8.564 -16.083 1.00 0.00 H new ATOM 287 N THR A 22 11.184 -9.536 -8.785 1.00 0.00 N ATOM 288 CA THR A 22 11.580 -8.355 -8.028 1.00 0.00 C ATOM 289 C THR A 22 10.706 -7.157 -8.379 1.00 0.00 C ATOM 290 O THR A 22 10.407 -6.321 -7.526 1.00 0.00 O ATOM 291 CB THR A 22 13.055 -7.993 -8.284 1.00 0.00 C ATOM 292 OG1 THR A 22 13.293 -7.873 -9.691 1.00 0.00 O ATOM 293 CG2 THR A 22 13.982 -9.047 -7.696 1.00 0.00 C ATOM 0 H THR A 22 11.841 -9.808 -9.516 1.00 0.00 H new ATOM 0 HA THR A 22 11.450 -8.598 -6.973 1.00 0.00 H new ATOM 0 HB THR A 22 13.261 -7.039 -7.798 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.233 -7.641 -9.845 1.00 0.00 H new ATOM 0 HG21 THR A 22 15.018 -8.769 -7.890 1.00 0.00 H new ATOM 0 HG22 THR A 22 13.820 -9.115 -6.620 1.00 0.00 H new ATOM 0 HG23 THR A 22 13.773 -10.013 -8.156 1.00 0.00 H new ATOM 301 N THR A 23 10.297 -7.079 -9.642 1.00 0.00 N ATOM 302 CA THR A 23 9.457 -5.982 -10.106 1.00 0.00 C ATOM 303 C THR A 23 8.059 -6.067 -9.505 1.00 0.00 C ATOM 304 O THR A 23 7.727 -7.033 -8.817 1.00 0.00 O ATOM 305 CB THR A 23 9.343 -5.974 -11.643 1.00 0.00 C ATOM 306 OG1 THR A 23 8.877 -7.246 -12.106 1.00 0.00 O ATOM 307 CG2 THR A 23 10.686 -5.656 -12.283 1.00 0.00 C ATOM 0 H THR A 23 10.534 -7.762 -10.361 1.00 0.00 H new ATOM 0 HA THR A 23 9.934 -5.058 -9.779 1.00 0.00 H new ATOM 0 HB THR A 23 8.630 -5.201 -11.929 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.806 -7.232 -13.083 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.581 -5.656 -13.368 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.024 -4.674 -11.951 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.417 -6.410 -11.989 1.00 0.00 H new ATOM 315 N ILE A 24 7.244 -5.052 -9.769 1.00 0.00 N ATOM 316 CA ILE A 24 5.880 -5.015 -9.254 1.00 0.00 C ATOM 317 C ILE A 24 4.866 -4.932 -10.390 1.00 0.00 C ATOM 318 O ILE A 24 5.165 -4.420 -11.469 1.00 0.00 O ATOM 319 CB ILE A 24 5.670 -3.820 -8.305 1.00 0.00 C ATOM 320 CG1 ILE A 24 6.713 -3.840 -7.186 1.00 0.00 C ATOM 321 CG2 ILE A 24 4.263 -3.845 -7.726 1.00 0.00 C ATOM 322 CD1 ILE A 24 6.718 -2.584 -6.342 1.00 0.00 C ATOM 0 H ILE A 24 7.503 -4.245 -10.336 1.00 0.00 H new ATOM 0 HA ILE A 24 5.726 -5.941 -8.700 1.00 0.00 H new ATOM 0 HB ILE A 24 5.792 -2.898 -8.873 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.527 -4.700 -6.542 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.702 -3.978 -7.624 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.130 -2.995 -7.057 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.535 -3.788 -8.536 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.115 -4.771 -7.170 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.482 -2.668 -5.569 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.934 -1.722 -6.973 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.742 -2.456 -5.875 1.00 0.00 H new ATOM 334 N THR A 25 3.663 -5.439 -10.140 1.00 0.00 N ATOM 335 CA THR A 25 2.603 -5.422 -11.140 1.00 0.00 C ATOM 336 C THR A 25 1.568 -4.348 -10.827 1.00 0.00 C ATOM 337 O THR A 25 1.388 -3.942 -9.679 1.00 0.00 O ATOM 338 CB THR A 25 1.897 -6.788 -11.233 1.00 0.00 C ATOM 339 OG1 THR A 25 1.508 -7.228 -9.928 1.00 0.00 O ATOM 340 CG2 THR A 25 2.808 -7.825 -11.873 1.00 0.00 C ATOM 0 H THR A 25 3.398 -5.867 -9.253 1.00 0.00 H new ATOM 0 HA THR A 25 3.075 -5.199 -12.097 1.00 0.00 H new ATOM 0 HB THR A 25 1.010 -6.672 -11.856 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.294 -7.565 -9.449 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.288 -8.781 -11.928 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.079 -7.501 -12.878 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.711 -7.937 -11.272 1.00 0.00 H new ATOM 348 N PRO A 26 0.869 -3.876 -11.870 1.00 0.00 N ATOM 349 CA PRO A 26 -0.161 -2.843 -11.730 1.00 0.00 C ATOM 350 C PRO A 26 -1.402 -3.356 -11.007 1.00 0.00 C ATOM 351 O PRO A 26 -2.252 -2.574 -10.584 1.00 0.00 O ATOM 352 CB PRO A 26 -0.499 -2.481 -13.179 1.00 0.00 C ATOM 353 CG PRO A 26 -0.147 -3.696 -13.965 1.00 0.00 C ATOM 354 CD PRO A 26 1.032 -4.315 -13.266 1.00 0.00 C ATOM 0 HA PRO A 26 0.187 -1.999 -11.135 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.554 -2.231 -13.289 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.071 -1.614 -13.514 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.986 -4.391 -14.005 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.102 -3.436 -14.994 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.023 -5.402 -13.349 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.976 -3.970 -13.688 1.00 0.00 H new ATOM 362 N GLU A 27 -1.497 -4.675 -10.867 1.00 0.00 N ATOM 363 CA GLU A 27 -2.635 -5.291 -10.194 1.00 0.00 C ATOM 364 C GLU A 27 -2.309 -5.582 -8.732 1.00 0.00 C ATOM 365 O GLU A 27 -3.207 -5.716 -7.901 1.00 0.00 O ATOM 366 CB GLU A 27 -3.037 -6.584 -10.906 1.00 0.00 C ATOM 367 CG GLU A 27 -3.398 -6.387 -12.369 1.00 0.00 C ATOM 368 CD GLU A 27 -4.068 -7.605 -12.974 1.00 0.00 C ATOM 369 OE1 GLU A 27 -4.930 -8.205 -12.297 1.00 0.00 O ATOM 370 OE2 GLU A 27 -3.731 -7.959 -14.123 1.00 0.00 O ATOM 0 H GLU A 27 -0.801 -5.337 -11.210 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.469 -4.591 -10.230 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.216 -7.298 -10.836 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.888 -7.025 -10.387 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.062 -5.528 -12.463 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.495 -6.155 -12.934 1.00 0.00 H new ATOM 377 N GLN A 28 -1.019 -5.679 -8.427 1.00 0.00 N ATOM 378 CA GLN A 28 -0.576 -5.956 -7.066 1.00 0.00 C ATOM 379 C GLN A 28 -0.483 -4.669 -6.252 1.00 0.00 C ATOM 380 O GLN A 28 -0.923 -4.617 -5.102 1.00 0.00 O ATOM 381 CB GLN A 28 0.781 -6.662 -7.083 1.00 0.00 C ATOM 382 CG GLN A 28 0.690 -8.147 -7.392 1.00 0.00 C ATOM 383 CD GLN A 28 2.049 -8.816 -7.446 1.00 0.00 C ATOM 384 OE1 GLN A 28 2.810 -8.628 -8.396 1.00 0.00 O ATOM 385 NE2 GLN A 28 2.363 -9.604 -6.424 1.00 0.00 N ATOM 0 H GLN A 28 -0.263 -5.570 -9.103 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.312 -6.609 -6.597 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.421 -6.184 -7.825 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.262 -6.530 -6.114 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.079 -8.635 -6.633 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.183 -8.285 -8.347 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.703 -9.732 -5.657 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.264 -10.081 -6.406 1.00 0.00 H new ATOM 394 N LEU A 29 0.093 -3.634 -6.853 1.00 0.00 N ATOM 395 CA LEU A 29 0.244 -2.347 -6.184 1.00 0.00 C ATOM 396 C LEU A 29 -1.015 -1.990 -5.400 1.00 0.00 C ATOM 397 O LEU A 29 -0.956 -1.732 -4.198 1.00 0.00 O ATOM 398 CB LEU A 29 0.550 -1.251 -7.206 1.00 0.00 C ATOM 399 CG LEU A 29 2.025 -1.053 -7.557 1.00 0.00 C ATOM 400 CD1 LEU A 29 2.167 -0.458 -8.949 1.00 0.00 C ATOM 401 CD2 LEU A 29 2.703 -0.165 -6.524 1.00 0.00 C ATOM 0 H LEU A 29 0.463 -3.661 -7.803 1.00 0.00 H new ATOM 0 HA LEU A 29 1.076 -2.425 -5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.006 -1.476 -8.123 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.158 -0.308 -6.826 1.00 0.00 H new ATOM 0 HG LEU A 29 2.515 -2.027 -7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.223 -0.324 -9.181 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.717 -1.130 -9.680 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.662 0.508 -8.985 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.752 -0.034 -6.789 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.211 0.807 -6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.632 -0.631 -5.541 1.00 0.00 H new ATOM 413 N GLU A 30 -2.152 -1.979 -6.088 1.00 0.00 N ATOM 414 CA GLU A 30 -3.425 -1.655 -5.455 1.00 0.00 C ATOM 415 C GLU A 30 -3.456 -2.153 -4.012 1.00 0.00 C ATOM 416 O GLU A 30 -3.632 -1.369 -3.078 1.00 0.00 O ATOM 417 CB GLU A 30 -4.583 -2.269 -6.243 1.00 0.00 C ATOM 418 CG GLU A 30 -4.552 -1.940 -7.726 1.00 0.00 C ATOM 419 CD GLU A 30 -4.560 -0.447 -7.992 1.00 0.00 C ATOM 420 OE1 GLU A 30 -5.607 0.192 -7.759 1.00 0.00 O ATOM 421 OE2 GLU A 30 -3.518 0.081 -8.434 1.00 0.00 O ATOM 0 H GLU A 30 -2.218 -2.191 -7.084 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.534 -0.570 -5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.562 -3.352 -6.119 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.525 -1.918 -5.821 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.661 -2.380 -8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.413 -2.397 -8.214 1.00 0.00 H new ATOM 428 N ILE A 31 -3.286 -3.459 -3.839 1.00 0.00 N ATOM 429 CA ILE A 31 -3.295 -4.061 -2.512 1.00 0.00 C ATOM 430 C ILE A 31 -2.326 -3.345 -1.577 1.00 0.00 C ATOM 431 O ILE A 31 -2.673 -3.008 -0.444 1.00 0.00 O ATOM 432 CB ILE A 31 -2.927 -5.555 -2.569 1.00 0.00 C ATOM 433 CG1 ILE A 31 -3.877 -6.302 -3.508 1.00 0.00 C ATOM 434 CG2 ILE A 31 -2.965 -6.164 -1.175 1.00 0.00 C ATOM 435 CD1 ILE A 31 -3.284 -7.569 -4.084 1.00 0.00 C ATOM 0 H ILE A 31 -3.140 -4.121 -4.601 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.310 -3.960 -2.127 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.913 -5.649 -2.958 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.789 -6.551 -2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.162 -5.640 -4.325 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.703 -7.220 -1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.252 -5.647 -0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.968 -6.061 -0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.012 -8.046 -4.740 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.388 -7.325 -4.654 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.024 -8.250 -3.274 1.00 0.00 H new ATOM 447 N LEU A 32 -1.110 -3.114 -2.059 1.00 0.00 N ATOM 448 CA LEU A 32 -0.089 -2.436 -1.268 1.00 0.00 C ATOM 449 C LEU A 32 -0.543 -1.032 -0.883 1.00 0.00 C ATOM 450 O LEU A 32 -0.445 -0.633 0.278 1.00 0.00 O ATOM 451 CB LEU A 32 1.225 -2.364 -2.048 1.00 0.00 C ATOM 452 CG LEU A 32 1.725 -3.680 -2.644 1.00 0.00 C ATOM 453 CD1 LEU A 32 2.958 -3.444 -3.502 1.00 0.00 C ATOM 454 CD2 LEU A 32 2.025 -4.685 -1.541 1.00 0.00 C ATOM 0 H LEU A 32 -0.807 -3.386 -2.994 1.00 0.00 H new ATOM 0 HA LEU A 32 0.069 -3.010 -0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.105 -1.644 -2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.997 -1.972 -1.385 1.00 0.00 H new ATOM 0 HG LEU A 32 0.940 -4.090 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.299 -4.392 -3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.711 -2.760 -4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.749 -3.010 -2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.380 -5.616 -1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.792 -4.282 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.118 -4.878 -0.968 1.00 0.00 H new ATOM 466 N TYR A 33 -1.041 -0.287 -1.863 1.00 0.00 N ATOM 467 CA TYR A 33 -1.510 1.073 -1.627 1.00 0.00 C ATOM 468 C TYR A 33 -2.642 1.089 -0.604 1.00 0.00 C ATOM 469 O TYR A 33 -2.640 1.895 0.326 1.00 0.00 O ATOM 470 CB TYR A 33 -1.982 1.707 -2.937 1.00 0.00 C ATOM 471 CG TYR A 33 -0.859 2.282 -3.770 1.00 0.00 C ATOM 472 CD1 TYR A 33 -0.035 3.281 -3.267 1.00 0.00 C ATOM 473 CD2 TYR A 33 -0.623 1.826 -5.062 1.00 0.00 C ATOM 474 CE1 TYR A 33 0.991 3.809 -4.025 1.00 0.00 C ATOM 475 CE2 TYR A 33 0.402 2.348 -5.826 1.00 0.00 C ATOM 476 CZ TYR A 33 1.206 3.339 -5.304 1.00 0.00 C ATOM 477 OH TYR A 33 2.228 3.863 -6.063 1.00 0.00 O ATOM 0 H TYR A 33 -1.130 -0.602 -2.829 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.677 1.654 -1.230 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.511 0.957 -3.524 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.697 2.498 -2.711 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.200 3.651 -2.266 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.252 1.051 -5.475 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.622 4.586 -3.619 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.573 1.982 -6.828 1.00 0.00 H new ATOM 0 HH TYR A 33 2.244 3.422 -6.938 1.00 0.00 H new ATOM 487 N GLN A 34 -3.607 0.193 -0.785 1.00 0.00 N ATOM 488 CA GLN A 34 -4.745 0.103 0.122 1.00 0.00 C ATOM 489 C GLN A 34 -4.293 -0.275 1.528 1.00 0.00 C ATOM 490 O GLN A 34 -4.791 0.262 2.518 1.00 0.00 O ATOM 491 CB GLN A 34 -5.756 -0.922 -0.395 1.00 0.00 C ATOM 492 CG GLN A 34 -6.762 -0.343 -1.376 1.00 0.00 C ATOM 493 CD GLN A 34 -7.468 0.884 -0.833 1.00 0.00 C ATOM 494 OE1 GLN A 34 -7.277 1.994 -1.329 1.00 0.00 O ATOM 495 NE2 GLN A 34 -8.290 0.689 0.191 1.00 0.00 N ATOM 0 H GLN A 34 -3.623 -0.480 -1.551 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.221 1.083 0.165 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.219 -1.738 -0.878 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.292 -1.350 0.452 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.251 -0.083 -2.303 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.502 -1.104 -1.623 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.418 -0.249 0.571 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.793 1.477 0.598 1.00 0.00 H new ATOM 504 N LYS A 35 -3.346 -1.203 1.610 1.00 0.00 N ATOM 505 CA LYS A 35 -2.824 -1.653 2.895 1.00 0.00 C ATOM 506 C LYS A 35 -1.941 -0.583 3.529 1.00 0.00 C ATOM 507 O LYS A 35 -1.859 -0.478 4.753 1.00 0.00 O ATOM 508 CB LYS A 35 -2.028 -2.948 2.720 1.00 0.00 C ATOM 509 CG LYS A 35 -2.870 -4.122 2.251 1.00 0.00 C ATOM 510 CD LYS A 35 -3.541 -4.828 3.417 1.00 0.00 C ATOM 511 CE LYS A 35 -4.538 -5.872 2.938 1.00 0.00 C ATOM 512 NZ LYS A 35 -5.292 -6.480 4.069 1.00 0.00 N ATOM 0 H LYS A 35 -2.924 -1.659 0.801 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.670 -1.840 3.557 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.226 -2.777 2.002 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.557 -3.206 3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.629 -3.770 1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.241 -4.829 1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.784 -5.305 4.039 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.052 -4.095 4.042 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.238 -5.412 2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.011 -6.654 2.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.961 -7.186 3.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.627 -6.941 4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.816 -5.738 4.576 1.00 0.00 H new ATOM 526 N TYR A 36 -1.284 0.209 2.690 1.00 0.00 N ATOM 527 CA TYR A 36 -0.407 1.271 3.169 1.00 0.00 C ATOM 528 C TYR A 36 -1.217 2.432 3.737 1.00 0.00 C ATOM 529 O TYR A 36 -0.957 2.904 4.845 1.00 0.00 O ATOM 530 CB TYR A 36 0.492 1.768 2.036 1.00 0.00 C ATOM 531 CG TYR A 36 1.305 2.990 2.400 1.00 0.00 C ATOM 532 CD1 TYR A 36 2.409 2.891 3.238 1.00 0.00 C ATOM 533 CD2 TYR A 36 0.969 4.244 1.905 1.00 0.00 C ATOM 534 CE1 TYR A 36 3.153 4.005 3.573 1.00 0.00 C ATOM 535 CE2 TYR A 36 1.709 5.364 2.234 1.00 0.00 C ATOM 536 CZ TYR A 36 2.800 5.239 3.069 1.00 0.00 C ATOM 537 OH TYR A 36 3.540 6.351 3.399 1.00 0.00 O ATOM 0 H TYR A 36 -1.342 0.136 1.674 1.00 0.00 H new ATOM 0 HA TYR A 36 0.215 0.862 3.965 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.169 0.966 1.742 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.126 1.998 1.168 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.690 1.926 3.634 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.115 4.345 1.252 1.00 0.00 H new ATOM 0 HE1 TYR A 36 4.007 3.910 4.227 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.435 6.331 1.840 1.00 0.00 H new ATOM 0 HH TYR A 36 3.159 7.140 2.960 1.00 0.00 H new ATOM 547 N LEU A 37 -2.201 2.889 2.970 1.00 0.00 N ATOM 548 CA LEU A 37 -3.052 3.995 3.396 1.00 0.00 C ATOM 549 C LEU A 37 -3.604 3.751 4.797 1.00 0.00 C ATOM 550 O LEU A 37 -3.706 4.674 5.605 1.00 0.00 O ATOM 551 CB LEU A 37 -4.204 4.188 2.408 1.00 0.00 C ATOM 552 CG LEU A 37 -3.809 4.574 0.982 1.00 0.00 C ATOM 553 CD1 LEU A 37 -4.877 4.133 -0.006 1.00 0.00 C ATOM 554 CD2 LEU A 37 -3.574 6.075 0.883 1.00 0.00 C ATOM 0 H LEU A 37 -2.429 2.511 2.050 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.445 4.900 3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.779 3.263 2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.868 4.958 2.801 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.879 4.063 0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.578 4.416 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.997 3.051 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.823 4.615 0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.294 6.333 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.487 6.605 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.772 6.363 1.563 1.00 0.00 H new ATOM 566 N LEU A 38 -3.956 2.501 5.078 1.00 0.00 N ATOM 567 CA LEU A 38 -4.496 2.133 6.383 1.00 0.00 C ATOM 568 C LEU A 38 -3.373 1.843 7.374 1.00 0.00 C ATOM 569 O LEU A 38 -3.486 2.147 8.561 1.00 0.00 O ATOM 570 CB LEU A 38 -5.407 0.912 6.254 1.00 0.00 C ATOM 571 CG LEU A 38 -4.717 -0.451 6.327 1.00 0.00 C ATOM 572 CD1 LEU A 38 -4.620 -0.923 7.770 1.00 0.00 C ATOM 573 CD2 LEU A 38 -5.461 -1.472 5.479 1.00 0.00 C ATOM 0 H LEU A 38 -3.877 1.725 4.420 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.079 2.974 6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.158 0.959 7.042 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.937 0.978 5.304 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.707 -0.347 5.931 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.126 -1.894 7.803 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.043 -0.203 8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.621 -1.010 8.192 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.956 -2.436 5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.483 -1.573 5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.478 -1.140 4.441 1.00 0.00 H new ATOM 585 N ASP A 39 -2.291 1.254 6.877 1.00 0.00 N ATOM 586 CA ASP A 39 -1.146 0.925 7.718 1.00 0.00 C ATOM 587 C ASP A 39 0.161 1.306 7.030 1.00 0.00 C ATOM 588 O ASP A 39 0.611 0.624 6.108 1.00 0.00 O ATOM 589 CB ASP A 39 -1.144 -0.567 8.054 1.00 0.00 C ATOM 590 CG ASP A 39 -0.503 -0.858 9.396 1.00 0.00 C ATOM 591 OD1 ASP A 39 0.518 -0.215 9.718 1.00 0.00 O ATOM 592 OD2 ASP A 39 -1.022 -1.730 10.125 1.00 0.00 O ATOM 0 H ASP A 39 -2.183 0.995 5.896 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.229 1.497 8.642 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.169 -0.937 8.057 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.611 -1.111 7.274 1.00 0.00 H new ATOM 597 N SER A 40 0.766 2.399 7.483 1.00 0.00 N ATOM 598 CA SER A 40 2.019 2.873 6.908 1.00 0.00 C ATOM 599 C SER A 40 3.199 2.523 7.810 1.00 0.00 C ATOM 600 O SER A 40 4.356 2.725 7.444 1.00 0.00 O ATOM 601 CB SER A 40 1.963 4.386 6.687 1.00 0.00 C ATOM 602 OG SER A 40 1.038 4.719 5.666 1.00 0.00 O ATOM 0 H SER A 40 0.409 2.973 8.247 1.00 0.00 H new ATOM 0 HA SER A 40 2.159 2.377 5.948 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.679 4.882 7.615 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.953 4.754 6.419 1.00 0.00 H new ATOM 0 HG SER A 40 1.488 4.692 4.796 1.00 0.00 H new ATOM 608 N ASN A 41 2.895 1.996 8.992 1.00 0.00 N ATOM 609 CA ASN A 41 3.929 1.618 9.948 1.00 0.00 C ATOM 610 C ASN A 41 3.711 0.194 10.450 1.00 0.00 C ATOM 611 O ASN A 41 3.732 -0.078 11.651 1.00 0.00 O ATOM 612 CB ASN A 41 3.942 2.591 11.129 1.00 0.00 C ATOM 613 CG ASN A 41 4.888 3.755 10.909 1.00 0.00 C ATOM 614 OD1 ASN A 41 6.093 3.567 10.742 1.00 0.00 O ATOM 615 ND2 ASN A 41 4.344 4.967 10.908 1.00 0.00 N ATOM 0 H ASN A 41 1.942 1.821 9.310 1.00 0.00 H new ATOM 0 HA ASN A 41 4.892 1.662 9.440 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.934 2.972 11.294 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.232 2.056 12.033 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.930 5.789 10.765 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.340 5.075 11.050 1.00 0.00 H new ATOM 622 N PRO A 42 3.496 -0.739 9.510 1.00 0.00 N ATOM 623 CA PRO A 42 3.271 -2.151 9.833 1.00 0.00 C ATOM 624 C PRO A 42 4.529 -2.832 10.361 1.00 0.00 C ATOM 625 O PRO A 42 5.631 -2.295 10.252 1.00 0.00 O ATOM 626 CB PRO A 42 2.856 -2.759 8.491 1.00 0.00 C ATOM 627 CG PRO A 42 3.466 -1.867 7.466 1.00 0.00 C ATOM 628 CD PRO A 42 3.457 -0.486 8.060 1.00 0.00 C ATOM 0 HA PRO A 42 2.529 -2.276 10.621 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.218 -3.782 8.391 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.771 -2.793 8.391 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.482 -2.183 7.229 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.898 -1.895 6.536 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.316 0.099 7.731 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.564 0.069 7.773 1.00 0.00 H new ATOM 636 N THR A 43 4.357 -4.020 10.933 1.00 0.00 N ATOM 637 CA THR A 43 5.477 -4.775 11.479 1.00 0.00 C ATOM 638 C THR A 43 5.855 -5.935 10.566 1.00 0.00 C ATOM 639 O THR A 43 5.062 -6.361 9.726 1.00 0.00 O ATOM 640 CB THR A 43 5.155 -5.324 12.881 1.00 0.00 C ATOM 641 OG1 THR A 43 6.285 -6.034 13.401 1.00 0.00 O ATOM 642 CG2 THR A 43 3.947 -6.247 12.837 1.00 0.00 C ATOM 0 H THR A 43 3.452 -4.480 11.030 1.00 0.00 H new ATOM 0 HA THR A 43 6.317 -4.085 11.552 1.00 0.00 H new ATOM 0 HB THR A 43 4.925 -4.481 13.532 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.073 -6.378 14.294 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.739 -6.622 13.839 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.081 -5.696 12.469 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.154 -7.085 12.171 1.00 0.00 H new ATOM 650 N ARG A 44 7.071 -6.445 10.735 1.00 0.00 N ATOM 651 CA ARG A 44 7.554 -7.556 9.925 1.00 0.00 C ATOM 652 C ARG A 44 6.439 -8.566 9.668 1.00 0.00 C ATOM 653 O ARG A 44 6.264 -9.043 8.546 1.00 0.00 O ATOM 654 CB ARG A 44 8.731 -8.246 10.617 1.00 0.00 C ATOM 655 CG ARG A 44 9.930 -7.337 10.830 1.00 0.00 C ATOM 656 CD ARG A 44 10.666 -7.072 9.526 1.00 0.00 C ATOM 657 NE ARG A 44 11.879 -6.284 9.733 1.00 0.00 N ATOM 658 CZ ARG A 44 11.891 -4.957 9.794 1.00 0.00 C ATOM 659 NH1 ARG A 44 10.762 -4.273 9.666 1.00 0.00 N ATOM 660 NH2 ARG A 44 13.035 -4.311 9.984 1.00 0.00 N ATOM 0 H ARG A 44 7.740 -6.106 11.426 1.00 0.00 H new ATOM 0 HA ARG A 44 7.888 -7.156 8.967 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.400 -8.629 11.582 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.039 -9.106 10.021 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.600 -6.392 11.261 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.612 -7.794 11.548 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.926 -8.021 9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.005 -6.546 8.837 1.00 0.00 H new ATOM 0 HE ARG A 44 12.764 -6.780 9.836 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.881 -4.766 9.520 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.775 -3.254 9.713 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.905 -4.834 10.083 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.044 -3.292 10.031 1.00 0.00 H new ATOM 674 N LYS A 45 5.686 -8.888 10.714 1.00 0.00 N ATOM 675 CA LYS A 45 4.587 -9.840 10.603 1.00 0.00 C ATOM 676 C LYS A 45 3.641 -9.449 9.472 1.00 0.00 C ATOM 677 O LYS A 45 3.371 -10.246 8.574 1.00 0.00 O ATOM 678 CB LYS A 45 3.816 -9.916 11.923 1.00 0.00 C ATOM 679 CG LYS A 45 3.111 -11.244 12.139 1.00 0.00 C ATOM 680 CD LYS A 45 4.092 -12.341 12.517 1.00 0.00 C ATOM 681 CE LYS A 45 3.400 -13.691 12.635 1.00 0.00 C ATOM 682 NZ LYS A 45 3.053 -14.255 11.302 1.00 0.00 N ATOM 0 H LYS A 45 5.817 -8.503 11.650 1.00 0.00 H new ATOM 0 HA LYS A 45 5.009 -10.820 10.378 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.507 -9.742 12.748 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.079 -9.114 11.950 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.363 -11.137 12.925 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.580 -11.527 11.230 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.881 -12.400 11.767 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.571 -12.092 13.464 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.050 -14.387 13.166 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.494 -13.584 13.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.629 -15.197 11.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.373 -13.628 10.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.914 -14.334 10.724 1.00 0.00 H new ATOM 696 N MET A 46 3.143 -8.218 9.522 1.00 0.00 N ATOM 697 CA MET A 46 2.229 -7.722 8.499 1.00 0.00 C ATOM 698 C MET A 46 2.875 -7.781 7.119 1.00 0.00 C ATOM 699 O MET A 46 2.334 -8.389 6.194 1.00 0.00 O ATOM 700 CB MET A 46 1.805 -6.287 8.817 1.00 0.00 C ATOM 701 CG MET A 46 1.200 -6.124 10.201 1.00 0.00 C ATOM 702 SD MET A 46 -0.587 -6.366 10.211 1.00 0.00 S ATOM 703 CE MET A 46 -0.699 -8.081 9.709 1.00 0.00 C ATOM 0 H MET A 46 3.356 -7.546 10.259 1.00 0.00 H new ATOM 0 HA MET A 46 1.346 -8.361 8.494 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.673 -5.633 8.730 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.081 -5.957 8.072 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.663 -6.838 10.882 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.430 -5.128 10.579 1.00 0.00 H new ATOM 0 HE1 MET A 46 -1.655 -8.493 10.033 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.624 -8.148 8.624 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.113 -8.647 10.165 1.00 0.00 H new ATOM 713 N LEU A 47 4.034 -7.145 6.986 1.00 0.00 N ATOM 714 CA LEU A 47 4.754 -7.125 5.717 1.00 0.00 C ATOM 715 C LEU A 47 4.871 -8.529 5.134 1.00 0.00 C ATOM 716 O LEU A 47 4.749 -8.723 3.925 1.00 0.00 O ATOM 717 CB LEU A 47 6.147 -6.522 5.908 1.00 0.00 C ATOM 718 CG LEU A 47 6.190 -5.063 6.365 1.00 0.00 C ATOM 719 CD1 LEU A 47 7.612 -4.658 6.722 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.629 -4.150 5.285 1.00 0.00 C ATOM 0 H LEU A 47 4.495 -6.637 7.741 1.00 0.00 H new ATOM 0 HA LEU A 47 4.190 -6.508 5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.686 -7.126 6.638 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.688 -6.603 4.965 1.00 0.00 H new ATOM 0 HG LEU A 47 5.570 -4.962 7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.624 -3.617 7.045 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.979 -5.292 7.529 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.254 -4.774 5.848 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.667 -3.116 5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.222 -4.254 4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.595 -4.425 5.077 1.00 0.00 H new ATOM 732 N ASP A 48 5.106 -9.507 6.003 1.00 0.00 N ATOM 733 CA ASP A 48 5.236 -10.895 5.576 1.00 0.00 C ATOM 734 C ASP A 48 3.911 -11.422 5.032 1.00 0.00 C ATOM 735 O ASP A 48 3.860 -12.002 3.947 1.00 0.00 O ATOM 736 CB ASP A 48 5.707 -11.767 6.740 1.00 0.00 C ATOM 737 CG ASP A 48 6.288 -13.089 6.275 1.00 0.00 C ATOM 738 OD1 ASP A 48 5.707 -13.700 5.354 1.00 0.00 O ATOM 739 OD2 ASP A 48 7.322 -13.512 6.833 1.00 0.00 O ATOM 0 H ASP A 48 5.210 -9.364 7.007 1.00 0.00 H new ATOM 0 HA ASP A 48 5.978 -10.936 4.779 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.458 -11.226 7.315 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.869 -11.957 7.410 1.00 0.00 H new ATOM 744 N HIS A 49 2.841 -11.218 5.794 1.00 0.00 N ATOM 745 CA HIS A 49 1.516 -11.673 5.389 1.00 0.00 C ATOM 746 C HIS A 49 1.081 -10.995 4.093 1.00 0.00 C ATOM 747 O HIS A 49 0.799 -11.662 3.097 1.00 0.00 O ATOM 748 CB HIS A 49 0.497 -11.391 6.493 1.00 0.00 C ATOM 749 CG HIS A 49 -0.868 -11.935 6.202 1.00 0.00 C ATOM 750 ND1 HIS A 49 -1.238 -13.231 6.491 1.00 0.00 N ATOM 751 CD2 HIS A 49 -1.954 -11.349 5.646 1.00 0.00 C ATOM 752 CE1 HIS A 49 -2.493 -13.420 6.124 1.00 0.00 C ATOM 753 NE2 HIS A 49 -2.951 -12.294 5.609 1.00 0.00 N ATOM 0 H HIS A 49 2.866 -10.741 6.695 1.00 0.00 H new ATOM 0 HA HIS A 49 1.565 -12.748 5.217 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.858 -11.820 7.428 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.425 -10.314 6.643 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.024 -10.329 5.297 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.050 -14.340 6.228 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -3.892 -12.149 5.243 1.00 0.00 H new ATOM 762 N ILE A 50 1.028 -9.668 4.115 1.00 0.00 N ATOM 763 CA ILE A 50 0.628 -8.900 2.942 1.00 0.00 C ATOM 764 C ILE A 50 1.342 -9.398 1.690 1.00 0.00 C ATOM 765 O ILE A 50 0.713 -9.639 0.659 1.00 0.00 O ATOM 766 CB ILE A 50 0.921 -7.399 3.124 1.00 0.00 C ATOM 767 CG1 ILE A 50 0.142 -6.846 4.319 1.00 0.00 C ATOM 768 CG2 ILE A 50 0.571 -6.634 1.857 1.00 0.00 C ATOM 769 CD1 ILE A 50 0.841 -5.702 5.019 1.00 0.00 C ATOM 0 H ILE A 50 1.257 -9.102 4.932 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.447 -9.040 2.825 1.00 0.00 H new ATOM 0 HB ILE A 50 1.986 -7.273 3.319 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.838 -6.509 3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.028 -7.650 5.035 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.784 -5.575 2.001 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.166 -7.014 1.027 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.488 -6.765 1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.231 -5.360 5.856 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.809 -6.039 5.389 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.987 -4.881 4.317 1.00 0.00 H new ATOM 781 N ALA A 51 2.658 -9.551 1.787 1.00 0.00 N ATOM 782 CA ALA A 51 3.457 -10.024 0.663 1.00 0.00 C ATOM 783 C ALA A 51 3.075 -11.449 0.279 1.00 0.00 C ATOM 784 O ALA A 51 3.327 -11.890 -0.843 1.00 0.00 O ATOM 785 CB ALA A 51 4.939 -9.946 1.000 1.00 0.00 C ATOM 0 H ALA A 51 3.194 -9.354 2.632 1.00 0.00 H new ATOM 0 HA ALA A 51 3.255 -9.379 -0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.524 -10.302 0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.209 -8.913 1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.147 -10.567 1.871 1.00 0.00 H new ATOM 791 N HIS A 52 2.465 -12.167 1.217 1.00 0.00 N ATOM 792 CA HIS A 52 2.047 -13.543 0.976 1.00 0.00 C ATOM 793 C HIS A 52 0.738 -13.585 0.193 1.00 0.00 C ATOM 794 O HIS A 52 0.557 -14.428 -0.685 1.00 0.00 O ATOM 795 CB HIS A 52 1.886 -14.289 2.301 1.00 0.00 C ATOM 796 CG HIS A 52 1.552 -15.740 2.135 1.00 0.00 C ATOM 797 ND1 HIS A 52 2.275 -16.752 2.730 1.00 0.00 N ATOM 798 CD2 HIS A 52 0.563 -16.346 1.437 1.00 0.00 C ATOM 799 CE1 HIS A 52 1.746 -17.918 2.404 1.00 0.00 C ATOM 800 NE2 HIS A 52 0.706 -17.699 1.620 1.00 0.00 N ATOM 0 H HIS A 52 2.249 -11.818 2.151 1.00 0.00 H new ATOM 0 HA HIS A 52 2.820 -14.032 0.383 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.810 -14.200 2.873 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.102 -13.809 2.886 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.197 -15.856 0.846 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.103 -18.886 2.724 1.00 0.00 H new ATOM 0 HE2 HIS A 52 0.106 -18.418 1.216 1.00 0.00 H new ATOM 809 N GLU A 53 -0.170 -12.671 0.519 1.00 0.00 N ATOM 810 CA GLU A 53 -1.462 -12.605 -0.154 1.00 0.00 C ATOM 811 C GLU A 53 -1.327 -11.961 -1.531 1.00 0.00 C ATOM 812 O GLU A 53 -1.965 -12.388 -2.493 1.00 0.00 O ATOM 813 CB GLU A 53 -2.464 -11.817 0.693 1.00 0.00 C ATOM 814 CG GLU A 53 -2.362 -10.312 0.513 1.00 0.00 C ATOM 815 CD GLU A 53 -3.523 -9.569 1.146 1.00 0.00 C ATOM 816 OE1 GLU A 53 -4.673 -9.781 0.707 1.00 0.00 O ATOM 817 OE2 GLU A 53 -3.280 -8.776 2.080 1.00 0.00 O ATOM 0 H GLU A 53 -0.035 -11.967 1.244 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.827 -13.624 -0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.474 -12.137 0.438 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.309 -12.060 1.744 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.428 -9.960 0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.323 -10.079 -0.551 1.00 0.00 H new ATOM 824 N VAL A 54 -0.492 -10.931 -1.616 1.00 0.00 N ATOM 825 CA VAL A 54 -0.272 -10.227 -2.874 1.00 0.00 C ATOM 826 C VAL A 54 0.629 -11.033 -3.804 1.00 0.00 C ATOM 827 O VAL A 54 0.551 -10.906 -5.025 1.00 0.00 O ATOM 828 CB VAL A 54 0.359 -8.842 -2.640 1.00 0.00 C ATOM 829 CG1 VAL A 54 0.275 -7.996 -3.902 1.00 0.00 C ATOM 830 CG2 VAL A 54 -0.317 -8.140 -1.472 1.00 0.00 C ATOM 0 H VAL A 54 0.044 -10.565 -0.829 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.249 -10.098 -3.340 1.00 0.00 H new ATOM 0 HB VAL A 54 1.412 -8.979 -2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.726 -7.021 -3.717 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.809 -8.495 -4.711 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.770 -7.865 -4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.141 -7.163 -1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.378 -8.014 -1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.199 -8.740 -0.570 1.00 0.00 H new ATOM 840 N GLY A 55 1.484 -11.864 -3.217 1.00 0.00 N ATOM 841 CA GLY A 55 2.388 -12.680 -4.007 1.00 0.00 C ATOM 842 C GLY A 55 3.575 -11.893 -4.526 1.00 0.00 C ATOM 843 O GLY A 55 3.988 -12.062 -5.674 1.00 0.00 O ATOM 0 H GLY A 55 1.567 -11.987 -2.208 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.745 -13.513 -3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.844 -13.109 -4.849 1.00 0.00 H new ATOM 847 N LEU A 56 4.125 -11.028 -3.681 1.00 0.00 N ATOM 848 CA LEU A 56 5.271 -10.210 -4.061 1.00 0.00 C ATOM 849 C LEU A 56 6.398 -10.346 -3.042 1.00 0.00 C ATOM 850 O LEU A 56 6.155 -10.426 -1.837 1.00 0.00 O ATOM 851 CB LEU A 56 4.857 -8.744 -4.187 1.00 0.00 C ATOM 852 CG LEU A 56 5.725 -7.877 -5.100 1.00 0.00 C ATOM 853 CD1 LEU A 56 5.687 -8.401 -6.527 1.00 0.00 C ATOM 854 CD2 LEU A 56 5.269 -6.426 -5.050 1.00 0.00 C ATOM 0 H LEU A 56 3.796 -10.875 -2.728 1.00 0.00 H new ATOM 0 HA LEU A 56 5.634 -10.563 -5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.831 -8.707 -4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.857 -8.301 -3.191 1.00 0.00 H new ATOM 0 HG LEU A 56 6.754 -7.925 -4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.310 -7.772 -7.162 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.063 -9.424 -6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.661 -8.383 -6.894 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.898 -5.824 -5.706 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.232 -6.359 -5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.350 -6.054 -4.029 1.00 0.00 H new ATOM 866 N LYS A 57 7.633 -10.368 -3.532 1.00 0.00 N ATOM 867 CA LYS A 57 8.799 -10.490 -2.666 1.00 0.00 C ATOM 868 C LYS A 57 8.619 -9.670 -1.392 1.00 0.00 C ATOM 869 O LYS A 57 8.540 -8.442 -1.438 1.00 0.00 O ATOM 870 CB LYS A 57 10.059 -10.033 -3.405 1.00 0.00 C ATOM 871 CG LYS A 57 10.455 -10.944 -4.554 1.00 0.00 C ATOM 872 CD LYS A 57 11.304 -12.110 -4.074 1.00 0.00 C ATOM 873 CE LYS A 57 12.784 -11.760 -4.079 1.00 0.00 C ATOM 874 NZ LYS A 57 13.175 -10.987 -2.867 1.00 0.00 N ATOM 0 H LYS A 57 7.852 -10.303 -4.526 1.00 0.00 H new ATOM 0 HA LYS A 57 8.907 -11.539 -2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.899 -9.026 -3.790 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.885 -9.976 -2.696 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.559 -11.323 -5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.008 -10.372 -5.299 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.999 -12.393 -3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.131 -12.975 -4.714 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.374 -12.675 -4.132 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.017 -11.179 -4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.185 -11.139 -2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.002 -9.975 -3.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.611 -11.307 -2.054 1.00 0.00 H new ATOM 888 N LYS A 58 8.555 -10.357 -0.256 1.00 0.00 N ATOM 889 CA LYS A 58 8.387 -9.693 1.031 1.00 0.00 C ATOM 890 C LYS A 58 9.269 -8.452 1.123 1.00 0.00 C ATOM 891 O LYS A 58 8.822 -7.392 1.563 1.00 0.00 O ATOM 892 CB LYS A 58 8.723 -10.655 2.172 1.00 0.00 C ATOM 893 CG LYS A 58 7.946 -10.381 3.448 1.00 0.00 C ATOM 894 CD LYS A 58 8.510 -9.187 4.199 1.00 0.00 C ATOM 895 CE LYS A 58 9.589 -9.607 5.185 1.00 0.00 C ATOM 896 NZ LYS A 58 9.017 -10.318 6.362 1.00 0.00 N ATOM 0 H LYS A 58 8.617 -11.374 -0.201 1.00 0.00 H new ATOM 0 HA LYS A 58 7.345 -9.384 1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.522 -11.676 1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.790 -10.593 2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.899 -10.198 3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.975 -11.262 4.089 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.924 -8.471 3.488 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.707 -8.679 4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.308 -10.255 4.683 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.135 -8.726 5.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.716 -10.333 7.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.160 -9.824 6.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.775 -11.293 6.094 1.00 0.00 H new ATOM 910 N ARG A 59 10.522 -8.590 0.703 1.00 0.00 N ATOM 911 CA ARG A 59 11.466 -7.479 0.738 1.00 0.00 C ATOM 912 C ARG A 59 10.905 -6.266 0.002 1.00 0.00 C ATOM 913 O ARG A 59 10.802 -5.177 0.567 1.00 0.00 O ATOM 914 CB ARG A 59 12.800 -7.896 0.114 1.00 0.00 C ATOM 915 CG ARG A 59 13.941 -6.941 0.423 1.00 0.00 C ATOM 916 CD ARG A 59 14.410 -7.081 1.863 1.00 0.00 C ATOM 917 NE ARG A 59 15.096 -8.348 2.095 1.00 0.00 N ATOM 918 CZ ARG A 59 15.754 -8.635 3.213 1.00 0.00 C ATOM 919 NH1 ARG A 59 15.812 -7.748 4.197 1.00 0.00 N ATOM 920 NH2 ARG A 59 16.353 -9.810 3.349 1.00 0.00 N ATOM 0 H ARG A 59 10.907 -9.460 0.335 1.00 0.00 H new ATOM 0 HA ARG A 59 11.630 -7.206 1.781 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.063 -8.891 0.472 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.679 -7.967 -0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.774 -7.136 -0.253 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.618 -5.916 0.242 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.079 -6.256 2.108 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.553 -7.005 2.532 1.00 0.00 H new ATOM 0 HE ARG A 59 15.069 -9.052 1.358 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.351 -6.844 4.096 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.318 -7.970 5.055 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.309 -10.495 2.595 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.858 -10.029 4.208 1.00 0.00 H new ATOM 934 N VAL A 60 10.545 -6.461 -1.262 1.00 0.00 N ATOM 935 CA VAL A 60 9.994 -5.383 -2.076 1.00 0.00 C ATOM 936 C VAL A 60 8.763 -4.772 -1.417 1.00 0.00 C ATOM 937 O VAL A 60 8.572 -3.556 -1.439 1.00 0.00 O ATOM 938 CB VAL A 60 9.616 -5.880 -3.484 1.00 0.00 C ATOM 939 CG1 VAL A 60 8.866 -4.800 -4.247 1.00 0.00 C ATOM 940 CG2 VAL A 60 10.858 -6.317 -4.245 1.00 0.00 C ATOM 0 H VAL A 60 10.625 -7.356 -1.745 1.00 0.00 H new ATOM 0 HA VAL A 60 10.771 -4.623 -2.164 1.00 0.00 H new ATOM 0 HB VAL A 60 8.958 -6.743 -3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.607 -5.169 -5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 60 7.955 -4.539 -3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.497 -3.916 -4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.573 -6.665 -5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.543 -5.474 -4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.350 -7.125 -3.704 1.00 0.00 H new ATOM 950 N VAL A 61 7.928 -5.624 -0.829 1.00 0.00 N ATOM 951 CA VAL A 61 6.715 -5.168 -0.162 1.00 0.00 C ATOM 952 C VAL A 61 7.043 -4.429 1.130 1.00 0.00 C ATOM 953 O VAL A 61 6.325 -3.515 1.533 1.00 0.00 O ATOM 954 CB VAL A 61 5.774 -6.345 0.157 1.00 0.00 C ATOM 955 CG1 VAL A 61 4.582 -5.869 0.975 1.00 0.00 C ATOM 956 CG2 VAL A 61 5.315 -7.022 -1.125 1.00 0.00 C ATOM 0 H VAL A 61 8.070 -6.634 -0.801 1.00 0.00 H new ATOM 0 HA VAL A 61 6.213 -4.487 -0.849 1.00 0.00 H new ATOM 0 HB VAL A 61 6.323 -7.076 0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.928 -6.714 1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.933 -5.434 1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.030 -5.118 0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.651 -7.851 -0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.783 -6.302 -1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.182 -7.399 -1.668 1.00 0.00 H new ATOM 966 N GLN A 62 8.133 -4.832 1.775 1.00 0.00 N ATOM 967 CA GLN A 62 8.556 -4.207 3.023 1.00 0.00 C ATOM 968 C GLN A 62 9.132 -2.818 2.769 1.00 0.00 C ATOM 969 O GLN A 62 8.712 -1.839 3.385 1.00 0.00 O ATOM 970 CB GLN A 62 9.595 -5.081 3.729 1.00 0.00 C ATOM 971 CG GLN A 62 10.521 -4.303 4.649 1.00 0.00 C ATOM 972 CD GLN A 62 11.439 -5.203 5.451 1.00 0.00 C ATOM 973 OE1 GLN A 62 11.508 -5.106 6.677 1.00 0.00 O ATOM 974 NE2 GLN A 62 12.151 -6.088 4.763 1.00 0.00 N ATOM 0 H GLN A 62 8.739 -5.588 1.455 1.00 0.00 H new ATOM 0 HA GLN A 62 7.680 -4.105 3.664 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.080 -5.847 4.309 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.193 -5.598 2.978 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.122 -3.614 4.055 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.924 -3.698 5.332 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.063 -6.135 3.748 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.785 -6.721 5.250 1.00 0.00 H new ATOM 983 N VAL A 63 10.096 -2.740 1.857 1.00 0.00 N ATOM 984 CA VAL A 63 10.729 -1.470 1.520 1.00 0.00 C ATOM 985 C VAL A 63 9.737 -0.520 0.859 1.00 0.00 C ATOM 986 O VAL A 63 9.627 0.644 1.242 1.00 0.00 O ATOM 987 CB VAL A 63 11.932 -1.675 0.581 1.00 0.00 C ATOM 988 CG1 VAL A 63 12.546 -0.336 0.201 1.00 0.00 C ATOM 989 CG2 VAL A 63 12.967 -2.580 1.231 1.00 0.00 C ATOM 0 H VAL A 63 10.456 -3.541 1.338 1.00 0.00 H new ATOM 0 HA VAL A 63 11.078 -1.032 2.455 1.00 0.00 H new ATOM 0 HB VAL A 63 11.581 -2.159 -0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 63 13.395 -0.500 -0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.800 0.275 -0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.883 0.178 1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 63 13.810 -2.714 0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 63 13.316 -2.126 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 63 12.518 -3.549 1.447 1.00 0.00 H new ATOM 999 N TRP A 64 9.017 -1.025 -0.136 1.00 0.00 N ATOM 1000 CA TRP A 64 8.033 -0.221 -0.852 1.00 0.00 C ATOM 1001 C TRP A 64 7.234 0.648 0.114 1.00 0.00 C ATOM 1002 O TRP A 64 6.723 1.703 -0.263 1.00 0.00 O ATOM 1003 CB TRP A 64 7.087 -1.123 -1.647 1.00 0.00 C ATOM 1004 CG TRP A 64 6.100 -0.362 -2.480 1.00 0.00 C ATOM 1005 CD1 TRP A 64 6.228 -0.023 -3.796 1.00 0.00 C ATOM 1006 CD2 TRP A 64 4.836 0.155 -2.051 1.00 0.00 C ATOM 1007 NE1 TRP A 64 5.120 0.674 -4.212 1.00 0.00 N ATOM 1008 CE2 TRP A 64 4.251 0.796 -3.160 1.00 0.00 C ATOM 1009 CE3 TRP A 64 4.141 0.138 -0.839 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 3.005 1.413 -3.091 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 2.904 0.751 -0.772 1.00 0.00 C ATOM 1012 CH2 TRP A 64 2.346 1.381 -1.892 1.00 0.00 C ATOM 0 H TRP A 64 9.096 -1.987 -0.465 1.00 0.00 H new ATOM 0 HA TRP A 64 8.567 0.432 -1.543 1.00 0.00 H new ATOM 0 HB2 TRP A 64 7.675 -1.772 -2.296 1.00 0.00 H new ATOM 0 HB3 TRP A 64 6.546 -1.769 -0.956 1.00 0.00 H new ATOM 0 HD1 TRP A 64 7.076 -0.267 -4.419 1.00 0.00 H new ATOM 0 HE1 TRP A 64 4.969 1.041 -5.152 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.563 -0.345 0.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.574 1.900 -3.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.358 0.744 0.160 1.00 0.00 H new ATOM 0 HH2 TRP A 64 1.377 1.850 -1.808 1.00 0.00 H new ATOM 1023 N PHE A 65 7.130 0.199 1.360 1.00 0.00 N ATOM 1024 CA PHE A 65 6.393 0.936 2.379 1.00 0.00 C ATOM 1025 C PHE A 65 7.254 2.043 2.980 1.00 0.00 C ATOM 1026 O PHE A 65 6.817 3.187 3.100 1.00 0.00 O ATOM 1027 CB PHE A 65 5.920 -0.013 3.483 1.00 0.00 C ATOM 1028 CG PHE A 65 4.572 -0.619 3.215 1.00 0.00 C ATOM 1029 CD1 PHE A 65 4.370 -1.431 2.110 1.00 0.00 C ATOM 1030 CD2 PHE A 65 3.507 -0.377 4.067 1.00 0.00 C ATOM 1031 CE1 PHE A 65 3.130 -1.989 1.861 1.00 0.00 C ATOM 1032 CE2 PHE A 65 2.265 -0.933 3.823 1.00 0.00 C ATOM 1033 CZ PHE A 65 2.077 -1.741 2.719 1.00 0.00 C ATOM 0 H PHE A 65 7.547 -0.672 1.688 1.00 0.00 H new ATOM 0 HA PHE A 65 5.525 1.393 1.904 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.652 -0.812 3.602 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.884 0.530 4.427 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.190 -1.630 1.436 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.649 0.254 4.932 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.985 -2.619 0.996 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.443 -0.736 4.495 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.108 -2.178 2.527 1.00 0.00 H new ATOM 1043 N GLN A 66 8.480 1.693 3.355 1.00 0.00 N ATOM 1044 CA GLN A 66 9.402 2.657 3.944 1.00 0.00 C ATOM 1045 C GLN A 66 9.764 3.747 2.942 1.00 0.00 C ATOM 1046 O GLN A 66 9.995 4.896 3.316 1.00 0.00 O ATOM 1047 CB GLN A 66 10.670 1.951 4.428 1.00 0.00 C ATOM 1048 CG GLN A 66 11.743 1.826 3.358 1.00 0.00 C ATOM 1049 CD GLN A 66 13.008 1.168 3.873 1.00 0.00 C ATOM 1050 OE1 GLN A 66 14.112 1.671 3.664 1.00 0.00 O ATOM 1051 NE2 GLN A 66 12.853 0.037 4.551 1.00 0.00 N ATOM 0 H GLN A 66 8.858 0.750 3.262 1.00 0.00 H new ATOM 0 HA GLN A 66 8.906 3.123 4.796 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.078 2.498 5.278 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.408 0.955 4.786 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.351 1.246 2.522 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.984 2.817 2.973 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.919 -0.344 4.701 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.668 -0.451 4.922 1.00 0.00 H new ATOM 1060 N ASN A 67 9.813 3.379 1.665 1.00 0.00 N ATOM 1061 CA ASN A 67 10.148 4.326 0.608 1.00 0.00 C ATOM 1062 C ASN A 67 8.995 5.294 0.361 1.00 0.00 C ATOM 1063 O ASN A 67 9.207 6.490 0.154 1.00 0.00 O ATOM 1064 CB ASN A 67 10.489 3.581 -0.683 1.00 0.00 C ATOM 1065 CG ASN A 67 11.943 3.151 -0.736 1.00 0.00 C ATOM 1066 OD1 ASN A 67 12.833 3.880 -0.298 1.00 0.00 O ATOM 1067 ND2 ASN A 67 12.189 1.963 -1.275 1.00 0.00 N ATOM 0 H ASN A 67 9.625 2.431 1.338 1.00 0.00 H new ATOM 0 HA ASN A 67 11.018 4.899 0.929 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.850 2.703 -0.772 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.271 4.222 -1.537 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.148 1.621 -1.339 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.419 1.393 -1.625 1.00 0.00 H new ATOM 1074 N THR A 68 7.773 4.770 0.383 1.00 0.00 N ATOM 1075 CA THR A 68 6.587 5.587 0.161 1.00 0.00 C ATOM 1076 C THR A 68 6.487 6.704 1.193 1.00 0.00 C ATOM 1077 O THR A 68 6.265 7.864 0.846 1.00 0.00 O ATOM 1078 CB THR A 68 5.303 4.738 0.213 1.00 0.00 C ATOM 1079 OG1 THR A 68 5.347 3.719 -0.792 1.00 0.00 O ATOM 1080 CG2 THR A 68 4.071 5.607 0.008 1.00 0.00 C ATOM 0 H THR A 68 7.579 3.783 0.552 1.00 0.00 H new ATOM 0 HA THR A 68 6.685 6.023 -0.833 1.00 0.00 H new ATOM 0 HB THR A 68 5.241 4.274 1.197 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.172 3.199 -0.695 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.176 4.985 0.049 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.024 6.362 0.792 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.129 6.096 -0.964 1.00 0.00 H new ATOM 1088 N ARG A 69 6.652 6.347 2.462 1.00 0.00 N ATOM 1089 CA ARG A 69 6.579 7.320 3.546 1.00 0.00 C ATOM 1090 C ARG A 69 7.566 8.461 3.318 1.00 0.00 C ATOM 1091 O ARG A 69 7.225 9.632 3.482 1.00 0.00 O ATOM 1092 CB ARG A 69 6.865 6.643 4.887 1.00 0.00 C ATOM 1093 CG ARG A 69 5.632 6.046 5.544 1.00 0.00 C ATOM 1094 CD ARG A 69 5.872 5.749 7.016 1.00 0.00 C ATOM 1095 NE ARG A 69 6.207 6.955 7.769 1.00 0.00 N ATOM 1096 CZ ARG A 69 7.449 7.394 7.940 1.00 0.00 C ATOM 1097 NH1 ARG A 69 8.468 6.730 7.413 1.00 0.00 N ATOM 1098 NH2 ARG A 69 7.672 8.500 8.639 1.00 0.00 N ATOM 0 H ARG A 69 6.837 5.391 2.765 1.00 0.00 H new ATOM 0 HA ARG A 69 5.570 7.733 3.564 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.603 5.855 4.736 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.310 7.372 5.564 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.795 6.736 5.443 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.352 5.128 5.028 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.980 5.290 7.444 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.681 5.025 7.113 1.00 0.00 H new ATOM 0 HE ARG A 69 5.445 7.490 8.187 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.299 5.880 6.875 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.421 7.069 7.546 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.890 9.013 9.045 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.626 8.837 8.770 1.00 0.00 H new ATOM 1112 N ALA A 70 8.791 8.110 2.940 1.00 0.00 N ATOM 1113 CA ALA A 70 9.827 9.105 2.689 1.00 0.00 C ATOM 1114 C ALA A 70 9.407 10.067 1.583 1.00 0.00 C ATOM 1115 O ALA A 70 9.567 11.281 1.710 1.00 0.00 O ATOM 1116 CB ALA A 70 11.138 8.422 2.328 1.00 0.00 C ATOM 0 H ALA A 70 9.090 7.145 2.801 1.00 0.00 H new ATOM 0 HA ALA A 70 9.971 9.683 3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.903 9.177 2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.453 7.780 3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.999 7.819 1.431 1.00 0.00 H new ATOM 1122 N ARG A 71 8.870 9.517 0.499 1.00 0.00 N ATOM 1123 CA ARG A 71 8.430 10.327 -0.630 1.00 0.00 C ATOM 1124 C ARG A 71 7.368 11.334 -0.196 1.00 0.00 C ATOM 1125 O ARG A 71 7.505 12.534 -0.430 1.00 0.00 O ATOM 1126 CB ARG A 71 7.876 9.433 -1.742 1.00 0.00 C ATOM 1127 CG ARG A 71 8.916 8.511 -2.357 1.00 0.00 C ATOM 1128 CD ARG A 71 8.472 8.001 -3.719 1.00 0.00 C ATOM 1129 NE ARG A 71 9.405 7.019 -4.266 1.00 0.00 N ATOM 1130 CZ ARG A 71 10.533 7.343 -4.888 1.00 0.00 C ATOM 1131 NH1 ARG A 71 10.867 8.617 -5.041 1.00 0.00 N ATOM 1132 NH2 ARG A 71 11.330 6.392 -5.358 1.00 0.00 N ATOM 0 H ARG A 71 8.729 8.514 0.379 1.00 0.00 H new ATOM 0 HA ARG A 71 9.293 10.875 -1.009 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.061 8.831 -1.340 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.452 10.062 -2.525 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.862 9.043 -2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.094 7.666 -1.691 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.482 7.552 -3.633 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.383 8.840 -4.409 1.00 0.00 H new ATOM 0 HE ARG A 71 9.178 6.030 -4.165 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.257 9.351 -4.681 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.734 8.863 -5.519 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.077 5.411 -5.242 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.196 6.642 -5.835 1.00 0.00 H new ATOM 1146 N GLU A 72 6.311 10.835 0.437 1.00 0.00 N ATOM 1147 CA GLU A 72 5.226 11.691 0.902 1.00 0.00 C ATOM 1148 C GLU A 72 5.773 12.918 1.625 1.00 0.00 C ATOM 1149 O GLU A 72 5.186 13.999 1.567 1.00 0.00 O ATOM 1150 CB GLU A 72 4.294 10.911 1.831 1.00 0.00 C ATOM 1151 CG GLU A 72 3.151 10.219 1.107 1.00 0.00 C ATOM 1152 CD GLU A 72 2.013 11.165 0.775 1.00 0.00 C ATOM 1153 OE1 GLU A 72 1.704 12.039 1.612 1.00 0.00 O ATOM 1154 OE2 GLU A 72 1.432 11.031 -0.322 1.00 0.00 O ATOM 0 H GLU A 72 6.183 9.844 0.639 1.00 0.00 H new ATOM 0 HA GLU A 72 4.662 12.025 0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.876 10.164 2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.882 11.593 2.574 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.527 9.771 0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.773 9.405 1.726 1.00 0.00 H new ATOM 1161 N ARG A 73 6.900 12.742 2.306 1.00 0.00 N ATOM 1162 CA ARG A 73 7.526 13.834 3.043 1.00 0.00 C ATOM 1163 C ARG A 73 8.087 14.883 2.087 1.00 0.00 C ATOM 1164 O ARG A 73 7.936 16.085 2.309 1.00 0.00 O ATOM 1165 CB ARG A 73 8.643 13.298 3.941 1.00 0.00 C ATOM 1166 CG ARG A 73 8.194 12.181 4.869 1.00 0.00 C ATOM 1167 CD ARG A 73 7.695 12.727 6.197 1.00 0.00 C ATOM 1168 NE ARG A 73 8.710 13.529 6.876 1.00 0.00 N ATOM 1169 CZ ARG A 73 9.665 13.011 7.640 1.00 0.00 C ATOM 1170 NH1 ARG A 73 9.735 11.700 7.823 1.00 0.00 N ATOM 1171 NH2 ARG A 73 10.552 13.806 8.224 1.00 0.00 N ATOM 0 H ARG A 73 7.399 11.854 2.363 1.00 0.00 H new ATOM 0 HA ARG A 73 6.764 14.304 3.665 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.458 12.934 3.315 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.042 14.117 4.539 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.402 11.605 4.390 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.024 11.497 5.045 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.806 13.335 6.028 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.397 11.899 6.840 1.00 0.00 H new ATOM 0 HE ARG A 73 8.684 14.542 6.757 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.054 11.086 7.376 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.470 11.306 8.410 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.501 14.815 8.086 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.285 13.408 8.811 1.00 0.00 H new ATOM 1185 N LYS A 74 8.735 14.420 1.023 1.00 0.00 N ATOM 1186 CA LYS A 74 9.318 15.317 0.032 1.00 0.00 C ATOM 1187 C LYS A 74 8.419 16.526 -0.203 1.00 0.00 C ATOM 1188 O LYS A 74 7.255 16.383 -0.578 1.00 0.00 O ATOM 1189 CB LYS A 74 9.547 14.574 -1.286 1.00 0.00 C ATOM 1190 CG LYS A 74 10.525 15.272 -2.215 1.00 0.00 C ATOM 1191 CD LYS A 74 10.782 14.454 -3.470 1.00 0.00 C ATOM 1192 CE LYS A 74 11.720 13.289 -3.195 1.00 0.00 C ATOM 1193 NZ LYS A 74 11.956 12.467 -4.413 1.00 0.00 N ATOM 0 H LYS A 74 8.870 13.429 0.825 1.00 0.00 H new ATOM 0 HA LYS A 74 10.276 15.668 0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.917 13.572 -1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.592 14.457 -1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.131 16.250 -2.491 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.466 15.443 -1.692 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.836 14.077 -3.859 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.212 15.094 -4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.672 13.669 -2.824 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.299 12.661 -2.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 12.600 11.683 -4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.051 12.083 -4.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.382 13.059 -5.154 1.00 0.00 H new ATOM 1207 N SER A 75 8.967 17.717 0.018 1.00 0.00 N ATOM 1208 CA SER A 75 8.213 18.952 -0.168 1.00 0.00 C ATOM 1209 C SER A 75 8.865 19.832 -1.230 1.00 0.00 C ATOM 1210 O SER A 75 10.081 19.800 -1.417 1.00 0.00 O ATOM 1211 CB SER A 75 8.112 19.717 1.153 1.00 0.00 C ATOM 1212 OG SER A 75 7.239 19.061 2.057 1.00 0.00 O ATOM 0 H SER A 75 9.930 17.853 0.326 1.00 0.00 H new ATOM 0 HA SER A 75 7.210 18.689 -0.505 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.102 19.809 1.600 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.752 20.729 0.964 1.00 0.00 H new ATOM 0 HG SER A 75 7.472 18.110 2.105 1.00 0.00 H new ATOM 1218 N GLY A 76 8.046 20.617 -1.924 1.00 0.00 N ATOM 1219 CA GLY A 76 8.560 21.495 -2.959 1.00 0.00 C ATOM 1220 C GLY A 76 7.784 21.379 -4.255 1.00 0.00 C ATOM 1221 O GLY A 76 6.632 20.944 -4.278 1.00 0.00 O ATOM 0 H GLY A 76 7.036 20.660 -1.788 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.523 22.526 -2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.608 21.259 -3.144 1.00 0.00 H new ATOM 1225 N PRO A 77 8.419 21.776 -5.368 1.00 0.00 N ATOM 1226 CA PRO A 77 7.799 21.725 -6.695 1.00 0.00 C ATOM 1227 C PRO A 77 7.614 20.297 -7.194 1.00 0.00 C ATOM 1228 O PRO A 77 8.253 19.368 -6.699 1.00 0.00 O ATOM 1229 CB PRO A 77 8.796 22.476 -7.581 1.00 0.00 C ATOM 1230 CG PRO A 77 10.105 22.331 -6.886 1.00 0.00 C ATOM 1231 CD PRO A 77 9.793 22.305 -5.415 1.00 0.00 C ATOM 0 HA PRO A 77 6.798 22.157 -6.694 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.832 22.052 -8.584 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.519 23.525 -7.688 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.611 21.416 -7.194 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.770 23.160 -7.129 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.488 21.668 -4.868 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.856 23.299 -4.973 1.00 0.00 H new ATOM 1239 N SER A 78 6.734 20.127 -8.176 1.00 0.00 N ATOM 1240 CA SER A 78 6.462 18.810 -8.740 1.00 0.00 C ATOM 1241 C SER A 78 7.494 18.451 -9.805 1.00 0.00 C ATOM 1242 O SER A 78 7.243 18.595 -11.002 1.00 0.00 O ATOM 1243 CB SER A 78 5.056 18.770 -9.342 1.00 0.00 C ATOM 1244 OG SER A 78 4.868 19.824 -10.270 1.00 0.00 O ATOM 0 H SER A 78 6.197 20.885 -8.597 1.00 0.00 H new ATOM 0 HA SER A 78 6.526 18.077 -7.935 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.896 17.812 -9.838 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.314 18.845 -8.547 1.00 0.00 H new ATOM 0 HG SER A 78 5.569 19.787 -10.953 1.00 0.00 H new ATOM 1250 N SER A 79 8.656 17.984 -9.361 1.00 0.00 N ATOM 1251 CA SER A 79 9.729 17.608 -10.274 1.00 0.00 C ATOM 1252 C SER A 79 9.344 16.374 -11.085 1.00 0.00 C ATOM 1253 O SER A 79 9.375 15.252 -10.581 1.00 0.00 O ATOM 1254 CB SER A 79 11.019 17.340 -9.497 1.00 0.00 C ATOM 1255 OG SER A 79 11.650 18.552 -9.122 1.00 0.00 O ATOM 0 H SER A 79 8.879 17.857 -8.374 1.00 0.00 H new ATOM 0 HA SER A 79 9.894 18.437 -10.962 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.795 16.752 -8.607 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.699 16.747 -10.108 1.00 0.00 H new ATOM 0 HG SER A 79 12.471 18.353 -8.625 1.00 0.00 H new ATOM 1261 N GLY A 80 8.981 16.591 -12.345 1.00 0.00 N ATOM 1262 CA GLY A 80 8.595 15.488 -13.207 1.00 0.00 C ATOM 1263 C GLY A 80 7.707 15.931 -14.352 1.00 0.00 C ATOM 1264 O GLY A 80 7.230 17.066 -14.374 1.00 0.00 O ATOM 0 H GLY A 80 8.947 17.511 -12.785 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.491 15.014 -13.608 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.073 14.735 -12.617 1.00 0.00 H new TER 1268 GLY A 80