USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=19 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 -83:sc= 0.47 USER MOD Set 1.2: A 28 GLN : amide:sc= 1.35 K(o=1.8,f=-1.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 30:sc= 0.16 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 37:sc= 0.194 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.0039) 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= -0.727 K(o=-0.73,f=-1.5) USER MOD Single : A 35 LYS NZ :NH3+ 151:sc= -1.96! (180deg=-5.34!) USER MOD Single : A 36 TYR OH : rot -140:sc= 0 USER MOD Single : A 40 SER OG : rot -28:sc= 1.15 USER MOD Single : A 41 ASN : amide:sc= -1.8! K(o=-1.8!,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.07 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -156:sc= -0.641 (180deg=-1.3) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.687 K(o=-0.69,f=-0.11) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 160:sc= -1.15 (180deg=-1.38) USER MOD Single : A 62 GLN : amide:sc= -0.668 K(o=-0.67,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.0825 X(o=-0.083,f=-0.044) USER MOD Single : A 67 ASN : amide:sc= -1.05 K(o=-1.1,f=-2!) USER MOD Single : A 68 THR OG1 : rot 77:sc= 1.22 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= -0.117 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.238 3.760 -6.026 1.00 0.00 N ATOM 2 CA GLY A 1 -15.587 2.722 -6.804 1.00 0.00 C ATOM 3 C GLY A 1 -16.273 1.378 -6.668 1.00 0.00 C ATOM 4 O GLY A 1 -15.641 0.383 -6.313 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.731 4.659 -6.153 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.221 3.869 -6.347 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.229 3.497 -5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.573 3.014 -7.854 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.549 2.630 -6.485 1.00 0.00 H new ATOM 8 N SER A 2 -17.572 1.347 -6.948 1.00 0.00 N ATOM 9 CA SER A 2 -18.347 0.115 -6.850 1.00 0.00 C ATOM 10 C SER A 2 -18.625 -0.464 -8.233 1.00 0.00 C ATOM 11 O SER A 2 -19.515 0.000 -8.945 1.00 0.00 O ATOM 12 CB SER A 2 -19.665 0.375 -6.118 1.00 0.00 C ATOM 13 OG SER A 2 -19.438 0.954 -4.846 1.00 0.00 O ATOM 0 H SER A 2 -18.110 2.161 -7.245 1.00 0.00 H new ATOM 0 HA SER A 2 -17.762 -0.610 -6.284 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.291 1.037 -6.715 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.211 -0.561 -6.002 1.00 0.00 H new ATOM 0 HG SER A 2 -20.296 1.111 -4.400 1.00 0.00 H new ATOM 19 N SER A 3 -17.855 -1.481 -8.607 1.00 0.00 N ATOM 20 CA SER A 3 -18.015 -2.123 -9.907 1.00 0.00 C ATOM 21 C SER A 3 -17.480 -3.551 -9.877 1.00 0.00 C ATOM 22 O SER A 3 -16.339 -3.791 -9.485 1.00 0.00 O ATOM 23 CB SER A 3 -17.291 -1.318 -10.989 1.00 0.00 C ATOM 24 OG SER A 3 -15.907 -1.212 -10.705 1.00 0.00 O ATOM 0 H SER A 3 -17.115 -1.878 -8.029 1.00 0.00 H new ATOM 0 HA SER A 3 -19.079 -2.157 -10.140 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.431 -1.797 -11.958 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.728 -0.322 -11.060 1.00 0.00 H new ATOM 0 HG SER A 3 -15.614 -2.003 -10.206 1.00 0.00 H new ATOM 30 N GLY A 4 -18.315 -4.498 -10.295 1.00 0.00 N ATOM 31 CA GLY A 4 -17.910 -5.891 -10.308 1.00 0.00 C ATOM 32 C GLY A 4 -18.061 -6.552 -8.952 1.00 0.00 C ATOM 33 O GLY A 4 -17.323 -6.241 -8.017 1.00 0.00 O ATOM 0 H GLY A 4 -19.265 -4.325 -10.625 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.507 -6.433 -11.041 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.871 -5.961 -10.629 1.00 0.00 H new ATOM 37 N SER A 5 -19.021 -7.465 -8.844 1.00 0.00 N ATOM 38 CA SER A 5 -19.270 -8.167 -7.591 1.00 0.00 C ATOM 39 C SER A 5 -17.963 -8.651 -6.970 1.00 0.00 C ATOM 40 O SER A 5 -17.054 -9.090 -7.674 1.00 0.00 O ATOM 41 CB SER A 5 -20.207 -9.354 -7.824 1.00 0.00 C ATOM 42 OG SER A 5 -21.485 -8.918 -8.254 1.00 0.00 O ATOM 0 H SER A 5 -19.639 -7.736 -9.609 1.00 0.00 H new ATOM 0 HA SER A 5 -19.744 -7.469 -6.901 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.776 -10.020 -8.571 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.306 -9.929 -6.903 1.00 0.00 H new ATOM 0 HG SER A 5 -22.065 -9.695 -8.398 1.00 0.00 H new ATOM 48 N SER A 6 -17.878 -8.568 -5.646 1.00 0.00 N ATOM 49 CA SER A 6 -16.681 -8.993 -4.929 1.00 0.00 C ATOM 50 C SER A 6 -17.003 -10.126 -3.959 1.00 0.00 C ATOM 51 O SER A 6 -17.809 -9.964 -3.044 1.00 0.00 O ATOM 52 CB SER A 6 -16.070 -7.814 -4.170 1.00 0.00 C ATOM 53 OG SER A 6 -17.040 -7.171 -3.361 1.00 0.00 O ATOM 0 H SER A 6 -18.623 -8.211 -5.048 1.00 0.00 H new ATOM 0 HA SER A 6 -15.959 -9.358 -5.660 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.247 -8.165 -3.547 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.651 -7.099 -4.878 1.00 0.00 H new ATOM 0 HG SER A 6 -17.647 -7.841 -2.983 1.00 0.00 H new ATOM 59 N GLY A 7 -16.366 -11.274 -4.167 1.00 0.00 N ATOM 60 CA GLY A 7 -16.597 -12.418 -3.304 1.00 0.00 C ATOM 61 C GLY A 7 -15.344 -13.242 -3.086 1.00 0.00 C ATOM 62 O GLY A 7 -14.390 -13.151 -3.858 1.00 0.00 O ATOM 0 H GLY A 7 -15.694 -11.432 -4.918 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.973 -12.073 -2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.371 -13.048 -3.741 1.00 0.00 H new ATOM 66 N GLY A 8 -15.345 -14.049 -2.029 1.00 0.00 N ATOM 67 CA GLY A 8 -14.193 -14.880 -1.730 1.00 0.00 C ATOM 68 C GLY A 8 -13.814 -14.838 -0.263 1.00 0.00 C ATOM 69 O GLY A 8 -14.145 -13.886 0.446 1.00 0.00 O ATOM 0 H GLY A 8 -16.122 -14.142 -1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -14.407 -15.909 -2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.345 -14.551 -2.331 1.00 0.00 H new ATOM 73 N THR A 9 -13.119 -15.874 0.197 1.00 0.00 N ATOM 74 CA THR A 9 -12.697 -15.953 1.590 1.00 0.00 C ATOM 75 C THR A 9 -11.476 -15.077 1.846 1.00 0.00 C ATOM 76 O THR A 9 -11.477 -14.243 2.750 1.00 0.00 O ATOM 77 CB THR A 9 -12.369 -17.403 1.996 1.00 0.00 C ATOM 78 OG1 THR A 9 -13.500 -18.247 1.753 1.00 0.00 O ATOM 79 CG2 THR A 9 -11.979 -17.478 3.464 1.00 0.00 C ATOM 0 H THR A 9 -12.837 -16.670 -0.375 1.00 0.00 H new ATOM 0 HA THR A 9 -13.531 -15.594 2.193 1.00 0.00 H new ATOM 0 HB THR A 9 -11.526 -17.744 1.395 1.00 0.00 H new ATOM 0 HG1 THR A 9 -13.283 -19.167 2.012 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.752 -18.511 3.728 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.100 -16.857 3.639 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.805 -17.120 4.079 1.00 0.00 H new ATOM 87 N GLY A 10 -10.435 -15.272 1.042 1.00 0.00 N ATOM 88 CA GLY A 10 -9.222 -14.491 1.198 1.00 0.00 C ATOM 89 C GLY A 10 -8.089 -15.000 0.328 1.00 0.00 C ATOM 90 O GLY A 10 -8.017 -14.681 -0.858 1.00 0.00 O ATOM 0 H GLY A 10 -10.410 -15.956 0.286 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.429 -13.450 0.948 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.912 -14.512 2.243 1.00 0.00 H new ATOM 94 N GLY A 11 -7.201 -15.794 0.919 1.00 0.00 N ATOM 95 CA GLY A 11 -6.078 -16.333 0.175 1.00 0.00 C ATOM 96 C GLY A 11 -5.233 -17.278 1.006 1.00 0.00 C ATOM 97 O GLY A 11 -4.265 -16.860 1.641 1.00 0.00 O ATOM 0 H GLY A 11 -7.240 -16.073 1.899 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.448 -16.859 -0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.456 -15.513 -0.183 1.00 0.00 H new ATOM 101 N GLU A 12 -5.600 -18.556 1.003 1.00 0.00 N ATOM 102 CA GLU A 12 -4.869 -19.561 1.765 1.00 0.00 C ATOM 103 C GLU A 12 -4.178 -20.553 0.834 1.00 0.00 C ATOM 104 O GLU A 12 -4.828 -21.396 0.216 1.00 0.00 O ATOM 105 CB GLU A 12 -5.816 -20.306 2.709 1.00 0.00 C ATOM 106 CG GLU A 12 -6.469 -19.410 3.748 1.00 0.00 C ATOM 107 CD GLU A 12 -5.471 -18.841 4.738 1.00 0.00 C ATOM 108 OE1 GLU A 12 -4.400 -19.459 4.921 1.00 0.00 O ATOM 109 OE2 GLU A 12 -5.759 -17.780 5.329 1.00 0.00 O ATOM 0 H GLU A 12 -6.398 -18.919 0.482 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.107 -19.050 2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.594 -20.792 2.120 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.262 -21.094 3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.983 -18.591 3.245 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.227 -19.978 4.288 1.00 0.00 H new ATOM 116 N GLU A 13 -2.856 -20.445 0.740 1.00 0.00 N ATOM 117 CA GLU A 13 -2.077 -21.331 -0.117 1.00 0.00 C ATOM 118 C GLU A 13 -0.677 -21.545 0.452 1.00 0.00 C ATOM 119 O GLU A 13 -0.130 -20.697 1.158 1.00 0.00 O ATOM 120 CB GLU A 13 -1.983 -20.756 -1.532 1.00 0.00 C ATOM 121 CG GLU A 13 -1.232 -19.436 -1.603 1.00 0.00 C ATOM 122 CD GLU A 13 -1.330 -18.783 -2.968 1.00 0.00 C ATOM 123 OE1 GLU A 13 -2.408 -18.240 -3.289 1.00 0.00 O ATOM 124 OE2 GLU A 13 -0.330 -18.815 -3.715 1.00 0.00 O ATOM 0 H GLU A 13 -2.303 -19.753 1.246 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.585 -22.295 -0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.488 -21.481 -2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.990 -20.614 -1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.628 -18.756 -0.849 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.183 -19.605 -1.360 1.00 0.00 H new ATOM 131 N PRO A 14 -0.082 -22.705 0.138 1.00 0.00 N ATOM 132 CA PRO A 14 1.261 -23.058 0.606 1.00 0.00 C ATOM 133 C PRO A 14 2.346 -22.212 -0.051 1.00 0.00 C ATOM 134 O PRO A 14 2.073 -21.450 -0.979 1.00 0.00 O ATOM 135 CB PRO A 14 1.405 -24.526 0.196 1.00 0.00 C ATOM 136 CG PRO A 14 0.479 -24.689 -0.960 1.00 0.00 C ATOM 137 CD PRO A 14 -0.675 -23.762 -0.699 1.00 0.00 C ATOM 0 HA PRO A 14 1.377 -22.887 1.676 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.432 -24.760 -0.084 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.137 -25.194 1.015 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.977 -24.439 -1.897 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.139 -25.721 -1.045 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.084 -23.359 -1.625 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.491 -24.271 -0.185 1.00 0.00 H new ATOM 145 N GLN A 15 3.575 -22.352 0.435 1.00 0.00 N ATOM 146 CA GLN A 15 4.700 -21.599 -0.107 1.00 0.00 C ATOM 147 C GLN A 15 5.388 -22.376 -1.223 1.00 0.00 C ATOM 148 O GLN A 15 6.615 -22.375 -1.328 1.00 0.00 O ATOM 149 CB GLN A 15 5.705 -21.275 1.001 1.00 0.00 C ATOM 150 CG GLN A 15 6.395 -22.503 1.573 1.00 0.00 C ATOM 151 CD GLN A 15 7.616 -22.153 2.400 1.00 0.00 C ATOM 152 OE1 GLN A 15 8.597 -21.616 1.884 1.00 0.00 O ATOM 153 NE2 GLN A 15 7.563 -22.455 3.692 1.00 0.00 N ATOM 0 H GLN A 15 3.817 -22.979 1.202 1.00 0.00 H new ATOM 0 HA GLN A 15 4.315 -20.668 -0.522 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.460 -20.594 0.608 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.190 -20.750 1.805 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.689 -23.057 2.191 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.690 -23.163 0.757 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.730 -22.900 4.078 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.355 -22.242 4.298 1.00 0.00 H new ATOM 162 N ARG A 16 4.591 -23.040 -2.054 1.00 0.00 N ATOM 163 CA ARG A 16 5.124 -23.823 -3.162 1.00 0.00 C ATOM 164 C ARG A 16 5.955 -22.948 -4.096 1.00 0.00 C ATOM 165 O ARG A 16 7.117 -23.247 -4.372 1.00 0.00 O ATOM 166 CB ARG A 16 3.986 -24.483 -3.942 1.00 0.00 C ATOM 167 CG ARG A 16 4.463 -25.433 -5.028 1.00 0.00 C ATOM 168 CD ARG A 16 4.655 -24.713 -6.354 1.00 0.00 C ATOM 169 NE ARG A 16 5.338 -25.550 -7.337 1.00 0.00 N ATOM 170 CZ ARG A 16 6.002 -25.065 -8.380 1.00 0.00 C ATOM 171 NH1 ARG A 16 6.073 -23.755 -8.574 1.00 0.00 N ATOM 172 NH2 ARG A 16 6.597 -25.890 -9.232 1.00 0.00 N ATOM 0 H ARG A 16 3.574 -23.051 -1.981 1.00 0.00 H new ATOM 0 HA ARG A 16 5.769 -24.598 -2.749 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.350 -25.030 -3.246 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.369 -23.707 -4.395 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.403 -25.893 -4.723 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.739 -26.239 -5.152 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.684 -24.411 -6.747 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.230 -23.801 -6.192 1.00 0.00 H new ATOM 0 HE ARG A 16 5.303 -26.562 -7.216 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.617 -23.117 -7.921 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.584 -23.385 -9.376 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.545 -26.898 -9.086 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.107 -25.516 -10.033 1.00 0.00 H new ATOM 186 N ASP A 17 5.352 -21.868 -4.579 1.00 0.00 N ATOM 187 CA ASP A 17 6.036 -20.950 -5.482 1.00 0.00 C ATOM 188 C ASP A 17 7.353 -20.474 -4.877 1.00 0.00 C ATOM 189 O ASP A 17 7.368 -19.791 -3.853 1.00 0.00 O ATOM 190 CB ASP A 17 5.142 -19.749 -5.796 1.00 0.00 C ATOM 191 CG ASP A 17 4.599 -19.088 -4.545 1.00 0.00 C ATOM 192 OD1 ASP A 17 5.311 -18.244 -3.962 1.00 0.00 O ATOM 193 OD2 ASP A 17 3.461 -19.415 -4.148 1.00 0.00 O ATOM 0 H ASP A 17 4.391 -21.606 -4.360 1.00 0.00 H new ATOM 0 HA ASP A 17 6.253 -21.484 -6.407 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.710 -19.018 -6.372 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.311 -20.073 -6.422 1.00 0.00 H new ATOM 198 N LYS A 18 8.459 -20.840 -5.517 1.00 0.00 N ATOM 199 CA LYS A 18 9.782 -20.451 -5.044 1.00 0.00 C ATOM 200 C LYS A 18 10.275 -19.205 -5.771 1.00 0.00 C ATOM 201 O LYS A 18 10.536 -18.175 -5.150 1.00 0.00 O ATOM 202 CB LYS A 18 10.775 -21.598 -5.244 1.00 0.00 C ATOM 203 CG LYS A 18 10.806 -22.585 -4.089 1.00 0.00 C ATOM 204 CD LYS A 18 11.524 -23.868 -4.471 1.00 0.00 C ATOM 205 CE LYS A 18 12.133 -24.549 -3.255 1.00 0.00 C ATOM 206 NZ LYS A 18 13.038 -25.667 -3.641 1.00 0.00 N ATOM 0 H LYS A 18 8.465 -21.406 -6.365 1.00 0.00 H new ATOM 0 HA LYS A 18 9.708 -20.224 -3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.521 -22.132 -6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.773 -21.183 -5.383 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.304 -22.129 -3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.787 -22.816 -3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.824 -24.547 -4.957 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.308 -23.646 -5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.689 -23.817 -2.669 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.337 -24.930 -2.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.433 -26.105 -2.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.502 -26.378 -4.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.812 -25.299 -4.230 1.00 0.00 H new ATOM 220 N ARG A 19 10.400 -19.305 -7.090 1.00 0.00 N ATOM 221 CA ARG A 19 10.861 -18.186 -7.902 1.00 0.00 C ATOM 222 C ARG A 19 9.909 -16.999 -7.784 1.00 0.00 C ATOM 223 O ARG A 19 8.700 -17.173 -7.629 1.00 0.00 O ATOM 224 CB ARG A 19 10.988 -18.608 -9.367 1.00 0.00 C ATOM 225 CG ARG A 19 11.765 -17.619 -10.221 1.00 0.00 C ATOM 226 CD ARG A 19 12.487 -18.316 -11.363 1.00 0.00 C ATOM 227 NE ARG A 19 13.396 -17.416 -12.067 1.00 0.00 N ATOM 228 CZ ARG A 19 14.452 -17.830 -12.758 1.00 0.00 C ATOM 229 NH1 ARG A 19 14.730 -19.123 -12.838 1.00 0.00 N ATOM 230 NH2 ARG A 19 15.231 -16.949 -13.372 1.00 0.00 N ATOM 0 H ARG A 19 10.188 -20.151 -7.620 1.00 0.00 H new ATOM 0 HA ARG A 19 11.840 -17.882 -7.533 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.479 -19.580 -9.415 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.990 -18.733 -9.788 1.00 0.00 H new ATOM 0 HG2 ARG A 19 11.083 -16.870 -10.624 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.489 -17.091 -9.600 1.00 0.00 H new ATOM 0 HD2 ARG A 19 13.048 -19.165 -10.972 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.755 -18.714 -12.066 1.00 0.00 H new ATOM 0 HE ARG A 19 13.210 -16.414 -12.026 1.00 0.00 H new ATOM 0 HH11 ARG A 19 14.132 -19.803 -12.368 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.542 -19.438 -13.369 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.019 -15.953 -13.314 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.042 -17.268 -13.902 1.00 0.00 H new ATOM 244 N LEU A 20 10.462 -15.794 -7.857 1.00 0.00 N ATOM 245 CA LEU A 20 9.663 -14.578 -7.758 1.00 0.00 C ATOM 246 C LEU A 20 10.234 -13.476 -8.645 1.00 0.00 C ATOM 247 O LEU A 20 11.310 -13.627 -9.223 1.00 0.00 O ATOM 248 CB LEU A 20 9.603 -14.100 -6.306 1.00 0.00 C ATOM 249 CG LEU A 20 8.806 -14.979 -5.342 1.00 0.00 C ATOM 250 CD1 LEU A 20 9.362 -14.863 -3.931 1.00 0.00 C ATOM 251 CD2 LEU A 20 7.333 -14.600 -5.369 1.00 0.00 C ATOM 0 H LEU A 20 11.461 -15.633 -7.984 1.00 0.00 H new ATOM 0 HA LEU A 20 8.654 -14.808 -8.101 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.623 -14.015 -5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.174 -13.098 -6.292 1.00 0.00 H new ATOM 0 HG LEU A 20 8.900 -16.016 -5.664 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.782 -15.495 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.404 -15.184 -3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.299 -13.827 -3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.781 -15.236 -4.677 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.220 -13.557 -5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.941 -14.735 -6.377 1.00 0.00 H new ATOM 263 N ARG A 21 9.507 -12.368 -8.745 1.00 0.00 N ATOM 264 CA ARG A 21 9.942 -11.241 -9.561 1.00 0.00 C ATOM 265 C ARG A 21 10.148 -9.996 -8.703 1.00 0.00 C ATOM 266 O ARG A 21 9.234 -9.547 -8.011 1.00 0.00 O ATOM 267 CB ARG A 21 8.917 -10.952 -10.659 1.00 0.00 C ATOM 268 CG ARG A 21 8.736 -12.099 -11.640 1.00 0.00 C ATOM 269 CD ARG A 21 9.796 -12.074 -12.729 1.00 0.00 C ATOM 270 NE ARG A 21 9.427 -11.191 -13.832 1.00 0.00 N ATOM 271 CZ ARG A 21 9.908 -11.313 -15.064 1.00 0.00 C ATOM 272 NH1 ARG A 21 10.773 -12.277 -15.349 1.00 0.00 N ATOM 273 NH2 ARG A 21 9.524 -10.470 -16.015 1.00 0.00 N ATOM 0 H ARG A 21 8.615 -12.227 -8.271 1.00 0.00 H new ATOM 0 HA ARG A 21 10.893 -11.506 -10.022 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.956 -10.725 -10.197 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.225 -10.062 -11.207 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.785 -13.048 -11.105 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.746 -12.039 -12.093 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.745 -11.746 -12.304 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.949 -13.084 -13.109 1.00 0.00 H new ATOM 0 HE ARG A 21 8.763 -10.439 -13.646 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.070 -12.927 -14.621 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.141 -12.369 -16.296 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.859 -9.727 -15.800 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.894 -10.565 -16.961 1.00 0.00 H new ATOM 287 N THR A 22 11.356 -9.442 -8.752 1.00 0.00 N ATOM 288 CA THR A 22 11.683 -8.251 -7.979 1.00 0.00 C ATOM 289 C THR A 22 10.780 -7.084 -8.359 1.00 0.00 C ATOM 290 O THR A 22 10.373 -6.295 -7.505 1.00 0.00 O ATOM 291 CB THR A 22 13.152 -7.836 -8.181 1.00 0.00 C ATOM 292 OG1 THR A 22 13.456 -7.773 -9.579 1.00 0.00 O ATOM 293 CG2 THR A 22 14.091 -8.818 -7.496 1.00 0.00 C ATOM 0 H THR A 22 12.124 -9.800 -9.320 1.00 0.00 H new ATOM 0 HA THR A 22 11.525 -8.502 -6.930 1.00 0.00 H new ATOM 0 HB THR A 22 13.293 -6.852 -7.735 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.392 -7.507 -9.699 1.00 0.00 H new ATOM 0 HG21 THR A 22 15.123 -8.504 -7.653 1.00 0.00 H new ATOM 0 HG22 THR A 22 13.877 -8.841 -6.427 1.00 0.00 H new ATOM 0 HG23 THR A 22 13.947 -9.813 -7.917 1.00 0.00 H new ATOM 301 N THR A 23 10.467 -6.978 -9.647 1.00 0.00 N ATOM 302 CA THR A 23 9.612 -5.906 -10.141 1.00 0.00 C ATOM 303 C THR A 23 8.216 -5.993 -9.535 1.00 0.00 C ATOM 304 O THR A 23 7.900 -6.941 -8.815 1.00 0.00 O ATOM 305 CB THR A 23 9.496 -5.942 -11.676 1.00 0.00 C ATOM 306 OG1 THR A 23 8.870 -7.161 -12.092 1.00 0.00 O ATOM 307 CG2 THR A 23 10.867 -5.823 -12.325 1.00 0.00 C ATOM 0 H THR A 23 10.793 -7.622 -10.367 1.00 0.00 H new ATOM 0 HA THR A 23 10.077 -4.967 -9.841 1.00 0.00 H new ATOM 0 HB THR A 23 8.887 -5.095 -11.992 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.799 -7.175 -13.069 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.760 -5.851 -13.409 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.329 -4.881 -12.030 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.496 -6.652 -12.001 1.00 0.00 H new ATOM 315 N ILE A 24 7.385 -5.000 -9.830 1.00 0.00 N ATOM 316 CA ILE A 24 6.022 -4.966 -9.315 1.00 0.00 C ATOM 317 C ILE A 24 5.011 -4.806 -10.446 1.00 0.00 C ATOM 318 O ILE A 24 5.331 -4.275 -11.510 1.00 0.00 O ATOM 319 CB ILE A 24 5.830 -3.821 -8.304 1.00 0.00 C ATOM 320 CG1 ILE A 24 6.887 -3.903 -7.200 1.00 0.00 C ATOM 321 CG2 ILE A 24 4.430 -3.867 -7.710 1.00 0.00 C ATOM 322 CD1 ILE A 24 6.861 -2.727 -6.250 1.00 0.00 C ATOM 0 H ILE A 24 7.632 -4.208 -10.423 1.00 0.00 H new ATOM 0 HA ILE A 24 5.852 -5.917 -8.810 1.00 0.00 H new ATOM 0 HB ILE A 24 5.950 -2.872 -8.826 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.737 -4.821 -6.632 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.874 -3.968 -7.658 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.310 -3.051 -6.997 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.693 -3.764 -8.507 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.282 -4.819 -7.200 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.636 -2.852 -5.494 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.041 -1.807 -6.805 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.887 -2.673 -5.764 1.00 0.00 H new ATOM 334 N THR A 25 3.787 -5.266 -10.208 1.00 0.00 N ATOM 335 CA THR A 25 2.728 -5.173 -11.205 1.00 0.00 C ATOM 336 C THR A 25 1.697 -4.120 -10.816 1.00 0.00 C ATOM 337 O THR A 25 1.521 -3.793 -9.642 1.00 0.00 O ATOM 338 CB THR A 25 2.015 -6.526 -11.395 1.00 0.00 C ATOM 339 OG1 THR A 25 1.620 -7.054 -10.124 1.00 0.00 O ATOM 340 CG2 THR A 25 2.923 -7.521 -12.103 1.00 0.00 C ATOM 0 H THR A 25 3.504 -5.707 -9.333 1.00 0.00 H new ATOM 0 HA THR A 25 3.202 -4.885 -12.143 1.00 0.00 H new ATOM 0 HB THR A 25 1.131 -6.363 -12.011 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.377 -7.524 -9.716 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.398 -8.469 -12.226 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.199 -7.129 -13.082 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.823 -7.679 -11.509 1.00 0.00 H new ATOM 348 N PRO A 26 0.999 -3.574 -11.823 1.00 0.00 N ATOM 349 CA PRO A 26 -0.027 -2.549 -11.610 1.00 0.00 C ATOM 350 C PRO A 26 -1.268 -3.106 -10.921 1.00 0.00 C ATOM 351 O PRO A 26 -2.129 -2.351 -10.470 1.00 0.00 O ATOM 352 CB PRO A 26 -0.366 -2.086 -13.030 1.00 0.00 C ATOM 353 CG PRO A 26 -0.020 -3.246 -13.899 1.00 0.00 C ATOM 354 CD PRO A 26 1.158 -3.916 -13.246 1.00 0.00 C ATOM 0 HA PRO A 26 0.325 -1.749 -10.959 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.420 -1.824 -13.120 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.207 -1.200 -13.305 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.861 -3.933 -13.985 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.228 -2.917 -14.908 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.145 -4.994 -13.404 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.103 -3.546 -13.645 1.00 0.00 H new ATOM 362 N GLU A 27 -1.353 -4.430 -10.844 1.00 0.00 N ATOM 363 CA GLU A 27 -2.490 -5.087 -10.210 1.00 0.00 C ATOM 364 C GLU A 27 -2.173 -5.444 -8.761 1.00 0.00 C ATOM 365 O GLU A 27 -3.075 -5.587 -7.936 1.00 0.00 O ATOM 366 CB GLU A 27 -2.876 -6.348 -10.985 1.00 0.00 C ATOM 367 CG GLU A 27 -3.192 -6.091 -12.449 1.00 0.00 C ATOM 368 CD GLU A 27 -3.769 -7.309 -13.144 1.00 0.00 C ATOM 369 OE1 GLU A 27 -4.746 -7.884 -12.620 1.00 0.00 O ATOM 370 OE2 GLU A 27 -3.243 -7.687 -14.212 1.00 0.00 O ATOM 0 H GLU A 27 -0.648 -5.069 -11.213 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.330 -4.392 -10.220 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.061 -7.068 -10.919 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.744 -6.805 -10.510 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.899 -5.265 -12.525 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.283 -5.780 -12.964 1.00 0.00 H new ATOM 377 N GLN A 28 -0.887 -5.586 -8.460 1.00 0.00 N ATOM 378 CA GLN A 28 -0.451 -5.927 -7.111 1.00 0.00 C ATOM 379 C GLN A 28 -0.339 -4.679 -6.243 1.00 0.00 C ATOM 380 O GLN A 28 -0.699 -4.695 -5.065 1.00 0.00 O ATOM 381 CB GLN A 28 0.894 -6.654 -7.156 1.00 0.00 C ATOM 382 CG GLN A 28 0.780 -8.125 -7.522 1.00 0.00 C ATOM 383 CD GLN A 28 2.131 -8.795 -7.677 1.00 0.00 C ATOM 384 OE1 GLN A 28 2.878 -8.503 -8.611 1.00 0.00 O ATOM 385 NE2 GLN A 28 2.452 -9.700 -6.759 1.00 0.00 N ATOM 0 H GLN A 28 -0.128 -5.470 -9.132 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.198 -6.587 -6.671 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.542 -6.158 -7.879 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.377 -6.567 -6.183 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.208 -8.643 -6.753 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.222 -8.221 -8.453 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.802 -9.911 -6.002 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.348 -10.184 -6.811 1.00 0.00 H new ATOM 394 N LEU A 29 0.161 -3.598 -6.831 1.00 0.00 N ATOM 395 CA LEU A 29 0.320 -2.339 -6.111 1.00 0.00 C ATOM 396 C LEU A 29 -0.953 -1.981 -5.352 1.00 0.00 C ATOM 397 O LEU A 29 -0.923 -1.754 -4.143 1.00 0.00 O ATOM 398 CB LEU A 29 0.682 -1.215 -7.083 1.00 0.00 C ATOM 399 CG LEU A 29 2.171 -1.041 -7.383 1.00 0.00 C ATOM 400 CD1 LEU A 29 2.368 -0.326 -8.712 1.00 0.00 C ATOM 401 CD2 LEU A 29 2.857 -0.279 -6.259 1.00 0.00 C ATOM 0 H LEU A 29 0.463 -3.568 -7.805 1.00 0.00 H new ATOM 0 HA LEU A 29 1.128 -2.461 -5.390 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.161 -1.393 -8.024 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.301 -0.277 -6.680 1.00 0.00 H new ATOM 0 HG LEU A 29 2.625 -2.029 -7.454 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.434 -0.211 -8.909 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.912 -0.911 -9.511 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.899 0.657 -8.669 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.916 -0.165 -6.490 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.400 0.705 -6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.747 -0.831 -5.325 1.00 0.00 H new ATOM 413 N GLU A 30 -2.071 -1.934 -6.071 1.00 0.00 N ATOM 414 CA GLU A 30 -3.355 -1.605 -5.464 1.00 0.00 C ATOM 415 C GLU A 30 -3.437 -2.141 -4.038 1.00 0.00 C ATOM 416 O GLU A 30 -3.641 -1.383 -3.089 1.00 0.00 O ATOM 417 CB GLU A 30 -4.501 -2.176 -6.302 1.00 0.00 C ATOM 418 CG GLU A 30 -4.511 -1.679 -7.738 1.00 0.00 C ATOM 419 CD GLU A 30 -5.078 -0.279 -7.867 1.00 0.00 C ATOM 420 OE1 GLU A 30 -4.790 0.561 -6.989 1.00 0.00 O ATOM 421 OE2 GLU A 30 -5.810 -0.023 -8.846 1.00 0.00 O ATOM 0 H GLU A 30 -2.113 -2.119 -7.073 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.444 -0.519 -5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.432 -3.264 -6.303 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.449 -1.917 -5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.494 -1.693 -8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.098 -2.363 -8.351 1.00 0.00 H new ATOM 428 N ILE A 31 -3.277 -3.453 -3.895 1.00 0.00 N ATOM 429 CA ILE A 31 -3.332 -4.091 -2.586 1.00 0.00 C ATOM 430 C ILE A 31 -2.350 -3.441 -1.617 1.00 0.00 C ATOM 431 O ILE A 31 -2.684 -3.178 -0.460 1.00 0.00 O ATOM 432 CB ILE A 31 -3.023 -5.597 -2.680 1.00 0.00 C ATOM 433 CG1 ILE A 31 -3.949 -6.267 -3.697 1.00 0.00 C ATOM 434 CG2 ILE A 31 -3.164 -6.252 -1.315 1.00 0.00 C ATOM 435 CD1 ILE A 31 -3.388 -7.549 -4.272 1.00 0.00 C ATOM 0 H ILE A 31 -3.108 -4.094 -4.670 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.348 -3.960 -2.213 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.994 -5.722 -3.017 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.906 -6.480 -3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.147 -5.569 -4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.943 -7.316 -1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.467 -5.789 -0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.183 -6.121 -0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.097 -7.969 -4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.446 -7.339 -4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.216 -8.264 -3.467 1.00 0.00 H new ATOM 447 N LEU A 32 -1.138 -3.184 -2.095 1.00 0.00 N ATOM 448 CA LEU A 32 -0.106 -2.563 -1.272 1.00 0.00 C ATOM 449 C LEU A 32 -0.526 -1.163 -0.836 1.00 0.00 C ATOM 450 O LEU A 32 -0.403 -0.802 0.335 1.00 0.00 O ATOM 451 CB LEU A 32 1.215 -2.495 -2.039 1.00 0.00 C ATOM 452 CG LEU A 32 1.712 -3.811 -2.637 1.00 0.00 C ATOM 453 CD1 LEU A 32 2.957 -3.579 -3.479 1.00 0.00 C ATOM 454 CD2 LEU A 32 1.992 -4.825 -1.537 1.00 0.00 C ATOM 0 H LEU A 32 -0.845 -3.396 -3.049 1.00 0.00 H new ATOM 0 HA LEU A 32 0.030 -3.176 -0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.107 -1.770 -2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.983 -2.111 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 32 0.931 -4.211 -3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.296 -4.527 -3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.725 -2.888 -4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.744 -3.155 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.345 -5.756 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.755 -4.432 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.077 -5.015 -0.976 1.00 0.00 H new ATOM 466 N TYR A 33 -1.025 -0.378 -1.785 1.00 0.00 N ATOM 467 CA TYR A 33 -1.464 0.982 -1.500 1.00 0.00 C ATOM 468 C TYR A 33 -2.627 0.984 -0.511 1.00 0.00 C ATOM 469 O TYR A 33 -2.628 1.739 0.460 1.00 0.00 O ATOM 470 CB TYR A 33 -1.878 1.689 -2.792 1.00 0.00 C ATOM 471 CG TYR A 33 -0.713 2.248 -3.576 1.00 0.00 C ATOM 472 CD1 TYR A 33 0.131 3.202 -3.019 1.00 0.00 C ATOM 473 CD2 TYR A 33 -0.456 1.824 -4.874 1.00 0.00 C ATOM 474 CE1 TYR A 33 1.197 3.716 -3.732 1.00 0.00 C ATOM 475 CE2 TYR A 33 0.608 2.332 -5.594 1.00 0.00 C ATOM 476 CZ TYR A 33 1.431 3.278 -5.018 1.00 0.00 C ATOM 477 OH TYR A 33 2.492 3.787 -5.733 1.00 0.00 O ATOM 0 H TYR A 33 -1.135 -0.661 -2.759 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.628 1.519 -1.052 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.425 0.987 -3.421 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.564 2.500 -2.549 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.050 3.547 -2.012 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.099 1.085 -5.328 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.843 4.457 -3.284 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.795 1.991 -6.602 1.00 0.00 H new ATOM 0 HH TYR A 33 2.517 3.373 -6.621 1.00 0.00 H new ATOM 487 N GLN A 34 -3.614 0.132 -0.768 1.00 0.00 N ATOM 488 CA GLN A 34 -4.783 0.034 0.099 1.00 0.00 C ATOM 489 C GLN A 34 -4.375 -0.326 1.523 1.00 0.00 C ATOM 490 O GLN A 34 -4.968 0.153 2.490 1.00 0.00 O ATOM 491 CB GLN A 34 -5.761 -1.009 -0.444 1.00 0.00 C ATOM 492 CG GLN A 34 -6.758 -0.445 -1.444 1.00 0.00 C ATOM 493 CD GLN A 34 -7.430 0.820 -0.947 1.00 0.00 C ATOM 494 OE1 GLN A 34 -7.056 1.928 -1.333 1.00 0.00 O ATOM 495 NE2 GLN A 34 -8.429 0.661 -0.087 1.00 0.00 N ATOM 0 H GLN A 34 -3.628 -0.500 -1.569 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.274 1.007 0.116 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.197 -1.811 -0.919 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.306 -1.453 0.389 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.246 -0.235 -2.383 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.518 -1.196 -1.657 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.706 -0.276 0.206 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.920 1.476 0.281 1.00 0.00 H new ATOM 504 N LYS A 35 -3.360 -1.175 1.646 1.00 0.00 N ATOM 505 CA LYS A 35 -2.872 -1.600 2.953 1.00 0.00 C ATOM 506 C LYS A 35 -2.093 -0.479 3.634 1.00 0.00 C ATOM 507 O LYS A 35 -2.101 -0.360 4.859 1.00 0.00 O ATOM 508 CB LYS A 35 -1.985 -2.839 2.810 1.00 0.00 C ATOM 509 CG LYS A 35 -2.717 -4.052 2.264 1.00 0.00 C ATOM 510 CD LYS A 35 -3.319 -4.889 3.381 1.00 0.00 C ATOM 511 CE LYS A 35 -4.008 -6.131 2.837 1.00 0.00 C ATOM 512 NZ LYS A 35 -3.028 -7.182 2.444 1.00 0.00 N ATOM 0 H LYS A 35 -2.859 -1.582 0.856 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.734 -1.847 3.573 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.149 -2.603 2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.563 -3.088 3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.506 -3.727 1.586 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.027 -4.663 1.682 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.536 -5.183 4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.037 -4.289 3.940 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.686 -6.530 3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.616 -5.860 1.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.463 -8.120 2.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.748 -7.042 1.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.188 -7.118 3.053 1.00 0.00 H new ATOM 526 N TYR A 36 -1.422 0.340 2.832 1.00 0.00 N ATOM 527 CA TYR A 36 -0.637 1.451 3.358 1.00 0.00 C ATOM 528 C TYR A 36 -1.544 2.570 3.859 1.00 0.00 C ATOM 529 O TYR A 36 -1.375 3.072 4.971 1.00 0.00 O ATOM 530 CB TYR A 36 0.309 1.988 2.282 1.00 0.00 C ATOM 531 CG TYR A 36 1.098 3.201 2.721 1.00 0.00 C ATOM 532 CD1 TYR A 36 2.312 3.062 3.384 1.00 0.00 C ATOM 533 CD2 TYR A 36 0.631 4.486 2.473 1.00 0.00 C ATOM 534 CE1 TYR A 36 3.035 4.167 3.787 1.00 0.00 C ATOM 535 CE2 TYR A 36 1.349 5.597 2.871 1.00 0.00 C ATOM 536 CZ TYR A 36 2.550 5.432 3.529 1.00 0.00 C ATOM 537 OH TYR A 36 3.269 6.536 3.928 1.00 0.00 O ATOM 0 H TYR A 36 -1.406 0.256 1.816 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.049 1.082 4.198 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.003 1.199 1.993 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.271 2.243 1.395 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.696 2.073 3.587 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.310 4.619 1.960 1.00 0.00 H new ATOM 0 HE1 TYR A 36 3.976 4.041 4.302 1.00 0.00 H new ATOM 0 HE2 TYR A 36 0.972 6.589 2.668 1.00 0.00 H new ATOM 0 HH TYR A 36 2.656 7.219 4.273 1.00 0.00 H new ATOM 547 N LEU A 37 -2.508 2.956 3.030 1.00 0.00 N ATOM 548 CA LEU A 37 -3.445 4.017 3.387 1.00 0.00 C ATOM 549 C LEU A 37 -4.059 3.760 4.760 1.00 0.00 C ATOM 550 O LEU A 37 -4.260 4.688 5.545 1.00 0.00 O ATOM 551 CB LEU A 37 -4.548 4.125 2.334 1.00 0.00 C ATOM 552 CG LEU A 37 -4.094 4.494 0.921 1.00 0.00 C ATOM 553 CD1 LEU A 37 -5.151 4.102 -0.099 1.00 0.00 C ATOM 554 CD2 LEU A 37 -3.789 5.983 0.831 1.00 0.00 C ATOM 0 H LEU A 37 -2.662 2.551 2.107 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.895 4.957 3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.073 3.171 2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.270 4.870 2.668 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.181 3.942 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.810 4.372 -1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.321 3.026 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.081 4.626 0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.467 6.228 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.685 6.553 1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.996 6.235 1.535 1.00 0.00 H new ATOM 566 N LEU A 38 -4.354 2.497 5.043 1.00 0.00 N ATOM 567 CA LEU A 38 -4.944 2.117 6.322 1.00 0.00 C ATOM 568 C LEU A 38 -3.863 1.877 7.371 1.00 0.00 C ATOM 569 O LEU A 38 -4.036 2.211 8.544 1.00 0.00 O ATOM 570 CB LEU A 38 -5.800 0.859 6.159 1.00 0.00 C ATOM 571 CG LEU A 38 -5.058 -0.474 6.258 1.00 0.00 C ATOM 572 CD1 LEU A 38 -4.902 -0.892 7.712 1.00 0.00 C ATOM 573 CD2 LEU A 38 -5.788 -1.550 5.468 1.00 0.00 C ATOM 0 H LEU A 38 -4.195 1.718 4.404 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.576 2.938 6.659 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.581 0.874 6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.297 0.905 5.190 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.064 -0.347 5.829 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.372 -1.843 7.762 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.336 -0.132 8.250 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.887 -1.001 8.167 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.246 -2.492 5.550 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.795 -1.675 5.867 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.847 -1.255 4.420 1.00 0.00 H new ATOM 585 N ASP A 39 -2.747 1.300 6.941 1.00 0.00 N ATOM 586 CA ASP A 39 -1.635 1.018 7.842 1.00 0.00 C ATOM 587 C ASP A 39 -0.300 1.326 7.170 1.00 0.00 C ATOM 588 O ASP A 39 0.161 0.575 6.311 1.00 0.00 O ATOM 589 CB ASP A 39 -1.670 -0.444 8.289 1.00 0.00 C ATOM 590 CG ASP A 39 -0.343 -0.909 8.854 1.00 0.00 C ATOM 591 OD1 ASP A 39 0.504 -0.045 9.166 1.00 0.00 O ATOM 592 OD2 ASP A 39 -0.150 -2.136 8.984 1.00 0.00 O ATOM 0 H ASP A 39 -2.588 1.018 5.974 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.737 1.659 8.717 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.447 -0.572 9.043 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.941 -1.074 7.441 1.00 0.00 H new ATOM 597 N SER A 40 0.315 2.435 7.568 1.00 0.00 N ATOM 598 CA SER A 40 1.595 2.845 7.001 1.00 0.00 C ATOM 599 C SER A 40 2.732 2.588 7.986 1.00 0.00 C ATOM 600 O SER A 40 3.883 2.934 7.724 1.00 0.00 O ATOM 601 CB SER A 40 1.557 4.326 6.622 1.00 0.00 C ATOM 602 OG SER A 40 0.389 4.634 5.881 1.00 0.00 O ATOM 0 H SER A 40 -0.052 3.066 8.281 1.00 0.00 H new ATOM 0 HA SER A 40 1.774 2.253 6.104 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.590 4.936 7.525 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.440 4.577 6.035 1.00 0.00 H new ATOM 0 HG SER A 40 0.092 3.838 5.393 1.00 0.00 H new ATOM 608 N ASN A 41 2.398 1.980 9.119 1.00 0.00 N ATOM 609 CA ASN A 41 3.391 1.678 10.145 1.00 0.00 C ATOM 610 C ASN A 41 3.278 0.226 10.598 1.00 0.00 C ATOM 611 O ASN A 41 3.231 -0.076 11.791 1.00 0.00 O ATOM 612 CB ASN A 41 3.218 2.613 11.343 1.00 0.00 C ATOM 613 CG ASN A 41 4.055 3.872 11.219 1.00 0.00 C ATOM 614 OD1 ASN A 41 4.832 4.204 12.115 1.00 0.00 O ATOM 615 ND2 ASN A 41 3.900 4.579 10.106 1.00 0.00 N ATOM 0 H ASN A 41 1.449 1.687 9.351 1.00 0.00 H new ATOM 0 HA ASN A 41 4.381 1.831 9.715 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.167 2.886 11.438 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.494 2.085 12.256 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.436 5.435 9.967 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.244 4.266 9.390 1.00 0.00 H new ATOM 622 N PRO A 42 3.235 -0.697 9.626 1.00 0.00 N ATOM 623 CA PRO A 42 3.129 -2.133 9.900 1.00 0.00 C ATOM 624 C PRO A 42 4.403 -2.701 10.516 1.00 0.00 C ATOM 625 O PRO A 42 5.333 -1.961 10.839 1.00 0.00 O ATOM 626 CB PRO A 42 2.886 -2.742 8.517 1.00 0.00 C ATOM 627 CG PRO A 42 3.483 -1.765 7.563 1.00 0.00 C ATOM 628 CD PRO A 42 3.287 -0.409 8.182 1.00 0.00 C ATOM 0 HA PRO A 42 2.342 -2.353 10.621 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.357 -3.721 8.427 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.822 -2.881 8.327 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.541 -1.972 7.404 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.997 -1.823 6.589 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.106 0.267 7.936 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.369 0.063 7.833 1.00 0.00 H new ATOM 636 N THR A 43 4.440 -4.020 10.677 1.00 0.00 N ATOM 637 CA THR A 43 5.600 -4.687 11.255 1.00 0.00 C ATOM 638 C THR A 43 5.973 -5.931 10.457 1.00 0.00 C ATOM 639 O THR A 43 5.162 -6.456 9.693 1.00 0.00 O ATOM 640 CB THR A 43 5.345 -5.088 12.720 1.00 0.00 C ATOM 641 OG1 THR A 43 6.552 -5.586 13.309 1.00 0.00 O ATOM 642 CG2 THR A 43 4.256 -6.146 12.810 1.00 0.00 C ATOM 0 H THR A 43 3.680 -4.648 10.415 1.00 0.00 H new ATOM 0 HA THR A 43 6.425 -3.975 11.219 1.00 0.00 H new ATOM 0 HB THR A 43 5.015 -4.203 13.264 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.382 -5.837 14.241 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.094 -6.413 13.854 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.331 -5.753 12.388 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.562 -7.031 12.252 1.00 0.00 H new ATOM 650 N ARG A 44 7.203 -6.399 10.640 1.00 0.00 N ATOM 651 CA ARG A 44 7.683 -7.582 9.936 1.00 0.00 C ATOM 652 C ARG A 44 6.563 -8.604 9.763 1.00 0.00 C ATOM 653 O ARG A 44 6.424 -9.217 8.705 1.00 0.00 O ATOM 654 CB ARG A 44 8.851 -8.214 10.695 1.00 0.00 C ATOM 655 CG ARG A 44 10.194 -7.571 10.392 1.00 0.00 C ATOM 656 CD ARG A 44 10.866 -8.223 9.193 1.00 0.00 C ATOM 657 NE ARG A 44 11.649 -9.395 9.575 1.00 0.00 N ATOM 658 CZ ARG A 44 12.875 -9.327 10.081 1.00 0.00 C ATOM 659 NH1 ARG A 44 13.455 -8.149 10.265 1.00 0.00 N ATOM 660 NH2 ARG A 44 13.524 -10.438 10.405 1.00 0.00 N ATOM 0 H ARG A 44 7.885 -5.977 11.270 1.00 0.00 H new ATOM 0 HA ARG A 44 8.025 -7.272 8.948 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.658 -8.144 11.765 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.902 -9.275 10.449 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.054 -6.508 10.198 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.843 -7.653 11.264 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.108 -8.515 8.467 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.515 -7.498 8.702 1.00 0.00 H new ATOM 0 HE ARG A 44 11.231 -10.317 9.446 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.959 -7.292 10.018 1.00 0.00 H new ATOM 0 HH12 ARG A 44 14.397 -8.099 10.654 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.081 -11.346 10.266 1.00 0.00 H new ATOM 0 HH22 ARG A 44 14.466 -10.384 10.793 1.00 0.00 H new ATOM 674 N LYS A 45 5.765 -8.782 10.811 1.00 0.00 N ATOM 675 CA LYS A 45 4.656 -9.728 10.776 1.00 0.00 C ATOM 676 C LYS A 45 3.688 -9.392 9.646 1.00 0.00 C ATOM 677 O LYS A 45 3.326 -10.256 8.849 1.00 0.00 O ATOM 678 CB LYS A 45 3.914 -9.725 12.115 1.00 0.00 C ATOM 679 CG LYS A 45 2.959 -10.894 12.284 1.00 0.00 C ATOM 680 CD LYS A 45 3.708 -12.211 12.414 1.00 0.00 C ATOM 681 CE LYS A 45 2.785 -13.334 12.861 1.00 0.00 C ATOM 682 NZ LYS A 45 3.513 -14.626 13.004 1.00 0.00 N ATOM 0 H LYS A 45 5.866 -8.283 11.695 1.00 0.00 H new ATOM 0 HA LYS A 45 5.065 -10.722 10.596 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.643 -9.742 12.925 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.355 -8.794 12.209 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.342 -10.736 13.169 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.284 -10.941 11.429 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.161 -12.470 11.457 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.521 -12.099 13.131 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.325 -13.069 13.813 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.978 -13.450 12.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.850 -15.366 13.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.931 -14.892 12.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.267 -14.523 13.712 1.00 0.00 H new ATOM 696 N MET A 46 3.275 -8.130 9.583 1.00 0.00 N ATOM 697 CA MET A 46 2.352 -7.679 8.548 1.00 0.00 C ATOM 698 C MET A 46 3.012 -7.724 7.174 1.00 0.00 C ATOM 699 O MET A 46 2.499 -8.354 6.248 1.00 0.00 O ATOM 700 CB MET A 46 1.869 -6.259 8.849 1.00 0.00 C ATOM 701 CG MET A 46 1.148 -6.132 10.181 1.00 0.00 C ATOM 702 SD MET A 46 -0.175 -7.341 10.374 1.00 0.00 S ATOM 703 CE MET A 46 -0.999 -7.197 8.790 1.00 0.00 C ATOM 0 H MET A 46 3.565 -7.402 10.236 1.00 0.00 H new ATOM 0 HA MET A 46 1.495 -8.353 8.542 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.725 -5.584 8.843 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.201 -5.934 8.051 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.867 -6.253 10.991 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.733 -5.128 10.271 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.034 -7.526 8.887 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.978 -6.158 8.462 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.487 -7.819 8.056 1.00 0.00 H new ATOM 713 N LEU A 47 4.151 -7.053 7.048 1.00 0.00 N ATOM 714 CA LEU A 47 4.881 -7.016 5.785 1.00 0.00 C ATOM 715 C LEU A 47 5.009 -8.414 5.189 1.00 0.00 C ATOM 716 O LEU A 47 5.080 -8.577 3.971 1.00 0.00 O ATOM 717 CB LEU A 47 6.270 -6.410 5.994 1.00 0.00 C ATOM 718 CG LEU A 47 6.303 -4.980 6.535 1.00 0.00 C ATOM 719 CD1 LEU A 47 7.717 -4.598 6.947 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.766 -4.005 5.498 1.00 0.00 C ATOM 0 H LEU A 47 4.589 -6.527 7.804 1.00 0.00 H new ATOM 0 HA LEU A 47 4.320 -6.393 5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.824 -7.050 6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.800 -6.429 5.042 1.00 0.00 H new ATOM 0 HG LEU A 47 5.664 -4.930 7.416 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.721 -3.577 7.329 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.066 -5.278 7.724 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.378 -4.664 6.083 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.797 -2.992 5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.379 -4.057 4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.737 -4.266 5.252 1.00 0.00 H new ATOM 732 N ASP A 48 5.036 -9.421 6.056 1.00 0.00 N ATOM 733 CA ASP A 48 5.151 -10.806 5.615 1.00 0.00 C ATOM 734 C ASP A 48 3.811 -11.329 5.109 1.00 0.00 C ATOM 735 O ASP A 48 3.739 -11.974 4.062 1.00 0.00 O ATOM 736 CB ASP A 48 5.658 -11.687 6.758 1.00 0.00 C ATOM 737 CG ASP A 48 6.113 -13.052 6.280 1.00 0.00 C ATOM 738 OD1 ASP A 48 6.637 -13.141 5.150 1.00 0.00 O ATOM 739 OD2 ASP A 48 5.945 -14.031 7.036 1.00 0.00 O ATOM 0 H ASP A 48 4.980 -9.304 7.068 1.00 0.00 H new ATOM 0 HA ASP A 48 5.867 -10.841 4.794 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.486 -11.186 7.259 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.866 -11.810 7.497 1.00 0.00 H new ATOM 744 N HIS A 49 2.750 -11.048 5.860 1.00 0.00 N ATOM 745 CA HIS A 49 1.411 -11.491 5.487 1.00 0.00 C ATOM 746 C HIS A 49 0.960 -10.826 4.191 1.00 0.00 C ATOM 747 O HIS A 49 0.596 -11.503 3.229 1.00 0.00 O ATOM 748 CB HIS A 49 0.418 -11.178 6.607 1.00 0.00 C ATOM 749 CG HIS A 49 -0.976 -11.642 6.318 1.00 0.00 C ATOM 750 ND1 HIS A 49 -1.420 -12.916 6.603 1.00 0.00 N ATOM 751 CD2 HIS A 49 -2.029 -10.993 5.767 1.00 0.00 C ATOM 752 CE1 HIS A 49 -2.685 -13.031 6.238 1.00 0.00 C ATOM 753 NE2 HIS A 49 -3.078 -11.878 5.728 1.00 0.00 N ATOM 0 H HIS A 49 2.792 -10.516 6.729 1.00 0.00 H new ATOM 0 HA HIS A 49 1.442 -12.569 5.329 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.764 -11.645 7.529 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.405 -10.102 6.780 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.041 -9.970 5.422 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.294 -13.917 6.340 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -4.010 -11.677 5.364 1.00 0.00 H new ATOM 762 N ILE A 50 0.986 -9.498 4.173 1.00 0.00 N ATOM 763 CA ILE A 50 0.579 -8.742 2.994 1.00 0.00 C ATOM 764 C ILE A 50 1.286 -9.253 1.743 1.00 0.00 C ATOM 765 O ILE A 50 0.647 -9.543 0.732 1.00 0.00 O ATOM 766 CB ILE A 50 0.875 -7.240 3.159 1.00 0.00 C ATOM 767 CG1 ILE A 50 0.158 -6.690 4.394 1.00 0.00 C ATOM 768 CG2 ILE A 50 0.454 -6.477 1.912 1.00 0.00 C ATOM 769 CD1 ILE A 50 0.896 -5.551 5.063 1.00 0.00 C ATOM 0 H ILE A 50 1.284 -8.923 4.961 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.496 -8.882 2.884 1.00 0.00 H new ATOM 0 HB ILE A 50 1.948 -7.109 3.296 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.836 -6.349 4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.021 -7.497 5.114 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.670 -5.417 2.044 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.005 -6.855 1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.615 -6.612 1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.331 -5.211 5.931 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.880 -5.893 5.383 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.010 -4.727 4.358 1.00 0.00 H new ATOM 781 N ALA A 51 2.608 -9.363 1.820 1.00 0.00 N ATOM 782 CA ALA A 51 3.402 -9.844 0.696 1.00 0.00 C ATOM 783 C ALA A 51 3.036 -11.280 0.340 1.00 0.00 C ATOM 784 O ALA A 51 3.271 -11.732 -0.782 1.00 0.00 O ATOM 785 CB ALA A 51 4.886 -9.738 1.014 1.00 0.00 C ATOM 0 H ALA A 51 3.152 -9.125 2.649 1.00 0.00 H new ATOM 0 HA ALA A 51 3.182 -9.216 -0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.467 -10.101 0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.142 -8.697 1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.114 -10.340 1.894 1.00 0.00 H new ATOM 791 N HIS A 52 2.460 -11.996 1.301 1.00 0.00 N ATOM 792 CA HIS A 52 2.062 -13.383 1.088 1.00 0.00 C ATOM 793 C HIS A 52 0.787 -13.460 0.255 1.00 0.00 C ATOM 794 O HIS A 52 0.646 -14.333 -0.600 1.00 0.00 O ATOM 795 CB HIS A 52 1.853 -14.087 2.429 1.00 0.00 C ATOM 796 CG HIS A 52 1.556 -15.549 2.298 1.00 0.00 C ATOM 797 ND1 HIS A 52 2.407 -16.533 2.753 1.00 0.00 N ATOM 798 CD2 HIS A 52 0.493 -16.191 1.761 1.00 0.00 C ATOM 799 CE1 HIS A 52 1.882 -17.719 2.499 1.00 0.00 C ATOM 800 NE2 HIS A 52 0.719 -17.539 1.898 1.00 0.00 N ATOM 0 H HIS A 52 2.259 -11.638 2.235 1.00 0.00 H new ATOM 0 HA HIS A 52 2.861 -13.885 0.543 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.747 -13.960 3.040 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.032 -13.604 2.960 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.372 -15.729 1.309 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.327 -18.673 2.741 1.00 0.00 H new ATOM 0 HE2 HIS A 52 0.091 -18.280 1.587 1.00 0.00 H new ATOM 809 N GLU A 53 -0.139 -12.541 0.512 1.00 0.00 N ATOM 810 CA GLU A 53 -1.403 -12.507 -0.214 1.00 0.00 C ATOM 811 C GLU A 53 -1.221 -11.885 -1.595 1.00 0.00 C ATOM 812 O GLU A 53 -1.828 -12.325 -2.572 1.00 0.00 O ATOM 813 CB GLU A 53 -2.451 -11.722 0.578 1.00 0.00 C ATOM 814 CG GLU A 53 -2.379 -10.220 0.359 1.00 0.00 C ATOM 815 CD GLU A 53 -3.614 -9.498 0.861 1.00 0.00 C ATOM 816 OE1 GLU A 53 -3.994 -9.716 2.030 1.00 0.00 O ATOM 817 OE2 GLU A 53 -4.201 -8.715 0.085 1.00 0.00 O ATOM 0 H GLU A 53 -0.037 -11.811 1.217 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.748 -13.533 -0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.444 -12.074 0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.325 -11.932 1.640 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.500 -9.824 0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.251 -10.017 -0.704 1.00 0.00 H new ATOM 824 N VAL A 54 -0.382 -10.856 -1.668 1.00 0.00 N ATOM 825 CA VAL A 54 -0.118 -10.172 -2.929 1.00 0.00 C ATOM 826 C VAL A 54 0.756 -11.023 -3.843 1.00 0.00 C ATOM 827 O VAL A 54 0.697 -10.900 -5.066 1.00 0.00 O ATOM 828 CB VAL A 54 0.570 -8.814 -2.697 1.00 0.00 C ATOM 829 CG1 VAL A 54 0.435 -7.930 -3.928 1.00 0.00 C ATOM 830 CG2 VAL A 54 -0.010 -8.126 -1.470 1.00 0.00 C ATOM 0 H VAL A 54 0.126 -10.478 -0.869 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.083 -10.005 -3.407 1.00 0.00 H new ATOM 0 HB VAL A 54 1.631 -8.989 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.927 -6.975 -3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.902 -8.421 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.621 -7.760 -4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.488 -7.168 -1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.078 -7.962 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.144 -8.755 -0.593 1.00 0.00 H new ATOM 840 N GLY A 55 1.567 -11.888 -3.242 1.00 0.00 N ATOM 841 CA GLY A 55 2.442 -12.748 -4.017 1.00 0.00 C ATOM 842 C GLY A 55 3.649 -12.009 -4.558 1.00 0.00 C ATOM 843 O GLY A 55 4.073 -12.241 -5.691 1.00 0.00 O ATOM 0 H GLY A 55 1.634 -12.009 -2.231 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.777 -13.577 -3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.881 -13.179 -4.847 1.00 0.00 H new ATOM 847 N LEU A 56 4.205 -11.114 -3.748 1.00 0.00 N ATOM 848 CA LEU A 56 5.371 -10.337 -4.153 1.00 0.00 C ATOM 849 C LEU A 56 6.501 -10.482 -3.138 1.00 0.00 C ATOM 850 O LEU A 56 6.265 -10.512 -1.930 1.00 0.00 O ATOM 851 CB LEU A 56 4.997 -8.862 -4.309 1.00 0.00 C ATOM 852 CG LEU A 56 5.860 -8.048 -5.273 1.00 0.00 C ATOM 853 CD1 LEU A 56 5.745 -8.597 -6.686 1.00 0.00 C ATOM 854 CD2 LEU A 56 5.462 -6.580 -5.235 1.00 0.00 C ATOM 0 H LEU A 56 3.867 -10.909 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 56 5.717 -10.721 -5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.961 -8.804 -4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.042 -8.391 -3.327 1.00 0.00 H new ATOM 0 HG LEU A 56 6.900 -8.130 -4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.366 -8.005 -7.358 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.080 -9.634 -6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.706 -8.546 -7.013 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.087 -6.016 -5.927 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.416 -6.479 -5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.598 -6.192 -4.225 1.00 0.00 H new ATOM 866 N LYS A 57 7.730 -10.569 -3.636 1.00 0.00 N ATOM 867 CA LYS A 57 8.898 -10.707 -2.775 1.00 0.00 C ATOM 868 C LYS A 57 8.726 -9.898 -1.493 1.00 0.00 C ATOM 869 O LYS A 57 8.655 -8.669 -1.526 1.00 0.00 O ATOM 870 CB LYS A 57 10.158 -10.251 -3.513 1.00 0.00 C ATOM 871 CG LYS A 57 10.715 -11.295 -4.466 1.00 0.00 C ATOM 872 CD LYS A 57 11.722 -12.200 -3.776 1.00 0.00 C ATOM 873 CE LYS A 57 13.076 -11.522 -3.635 1.00 0.00 C ATOM 874 NZ LYS A 57 13.894 -11.655 -4.872 1.00 0.00 N ATOM 0 H LYS A 57 7.943 -10.546 -4.633 1.00 0.00 H new ATOM 0 HA LYS A 57 9.001 -11.759 -2.510 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.933 -9.343 -4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.924 -9.993 -2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.898 -11.896 -4.866 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.190 -10.799 -5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.348 -12.477 -2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.834 -13.123 -4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.931 -10.466 -3.407 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.615 -11.959 -2.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.809 -11.180 -4.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.054 -12.662 -5.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.391 -11.216 -5.669 1.00 0.00 H new ATOM 888 N LYS A 58 8.663 -10.594 -0.363 1.00 0.00 N ATOM 889 CA LYS A 58 8.503 -9.942 0.931 1.00 0.00 C ATOM 890 C LYS A 58 9.339 -8.668 1.005 1.00 0.00 C ATOM 891 O LYS A 58 8.841 -7.608 1.385 1.00 0.00 O ATOM 892 CB LYS A 58 8.905 -10.894 2.059 1.00 0.00 C ATOM 893 CG LYS A 58 8.142 -10.663 3.352 1.00 0.00 C ATOM 894 CD LYS A 58 8.398 -9.273 3.909 1.00 0.00 C ATOM 895 CE LYS A 58 8.291 -9.253 5.427 1.00 0.00 C ATOM 896 NZ LYS A 58 9.140 -8.188 6.028 1.00 0.00 N ATOM 0 H LYS A 58 8.720 -11.611 -0.317 1.00 0.00 H new ATOM 0 HA LYS A 58 7.453 -9.674 1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.744 -11.921 1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.972 -10.785 2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.075 -10.794 3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.437 -11.411 4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.390 -8.936 3.609 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.681 -8.571 3.483 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.252 -9.095 5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.589 -10.223 5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.802 -7.975 6.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.126 -8.514 6.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.086 -7.330 5.443 1.00 0.00 H new ATOM 910 N ARG A 59 10.611 -8.779 0.638 1.00 0.00 N ATOM 911 CA ARG A 59 11.516 -7.636 0.662 1.00 0.00 C ATOM 912 C ARG A 59 10.927 -6.459 -0.110 1.00 0.00 C ATOM 913 O ARG A 59 10.789 -5.359 0.425 1.00 0.00 O ATOM 914 CB ARG A 59 12.873 -8.019 0.070 1.00 0.00 C ATOM 915 CG ARG A 59 13.934 -6.942 0.229 1.00 0.00 C ATOM 916 CD ARG A 59 14.464 -6.888 1.653 1.00 0.00 C ATOM 917 NE ARG A 59 15.419 -7.959 1.923 1.00 0.00 N ATOM 918 CZ ARG A 59 16.353 -7.890 2.866 1.00 0.00 C ATOM 919 NH1 ARG A 59 16.455 -6.808 3.625 1.00 0.00 N ATOM 920 NH2 ARG A 59 17.186 -8.906 3.051 1.00 0.00 N ATOM 0 H ARG A 59 11.039 -9.649 0.320 1.00 0.00 H new ATOM 0 HA ARG A 59 11.652 -7.336 1.701 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.223 -8.934 0.547 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.748 -8.240 -0.990 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.757 -7.136 -0.459 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.514 -5.973 -0.041 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.942 -5.924 1.825 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.631 -6.960 2.353 1.00 0.00 H new ATOM 0 HE ARG A 59 15.366 -8.806 1.357 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.816 -6.025 3.486 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.173 -6.758 4.348 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.110 -9.740 2.469 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.903 -8.853 3.775 1.00 0.00 H new ATOM 934 N VAL A 60 10.580 -6.699 -1.371 1.00 0.00 N ATOM 935 CA VAL A 60 10.005 -5.660 -2.216 1.00 0.00 C ATOM 936 C VAL A 60 8.826 -4.982 -1.528 1.00 0.00 C ATOM 937 O VAL A 60 8.677 -3.761 -1.588 1.00 0.00 O ATOM 938 CB VAL A 60 9.538 -6.231 -3.568 1.00 0.00 C ATOM 939 CG1 VAL A 60 8.957 -5.130 -4.442 1.00 0.00 C ATOM 940 CG2 VAL A 60 10.687 -6.934 -4.275 1.00 0.00 C ATOM 0 H VAL A 60 10.687 -7.604 -1.829 1.00 0.00 H new ATOM 0 HA VAL A 60 10.790 -4.925 -2.392 1.00 0.00 H new ATOM 0 HB VAL A 60 8.754 -6.964 -3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.633 -5.553 -5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.104 -4.676 -3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.717 -4.370 -4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.339 -7.331 -5.228 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.495 -6.224 -4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.052 -7.751 -3.653 1.00 0.00 H new ATOM 950 N VAL A 61 7.989 -5.781 -0.874 1.00 0.00 N ATOM 951 CA VAL A 61 6.823 -5.258 -0.173 1.00 0.00 C ATOM 952 C VAL A 61 7.233 -4.499 1.084 1.00 0.00 C ATOM 953 O VAL A 61 6.635 -3.479 1.427 1.00 0.00 O ATOM 954 CB VAL A 61 5.850 -6.387 0.217 1.00 0.00 C ATOM 955 CG1 VAL A 61 4.709 -5.841 1.062 1.00 0.00 C ATOM 956 CG2 VAL A 61 5.318 -7.084 -1.026 1.00 0.00 C ATOM 0 H VAL A 61 8.097 -6.794 -0.815 1.00 0.00 H new ATOM 0 HA VAL A 61 6.321 -4.576 -0.859 1.00 0.00 H new ATOM 0 HB VAL A 61 6.392 -7.121 0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.032 -6.653 1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.111 -5.392 1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.165 -5.086 0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.632 -7.879 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.791 -6.362 -1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.149 -7.511 -1.587 1.00 0.00 H new ATOM 966 N GLN A 62 8.256 -5.003 1.766 1.00 0.00 N ATOM 967 CA GLN A 62 8.746 -4.371 2.986 1.00 0.00 C ATOM 968 C GLN A 62 9.291 -2.977 2.696 1.00 0.00 C ATOM 969 O GLN A 62 8.894 -1.999 3.329 1.00 0.00 O ATOM 970 CB GLN A 62 9.833 -5.233 3.631 1.00 0.00 C ATOM 971 CG GLN A 62 10.805 -4.442 4.491 1.00 0.00 C ATOM 972 CD GLN A 62 11.788 -5.330 5.227 1.00 0.00 C ATOM 973 OE1 GLN A 62 11.987 -5.190 6.434 1.00 0.00 O ATOM 974 NE2 GLN A 62 12.411 -6.253 4.502 1.00 0.00 N ATOM 0 H GLN A 62 8.762 -5.846 1.495 1.00 0.00 H new ATOM 0 HA GLN A 62 7.909 -4.277 3.678 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.361 -6.001 4.244 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.389 -5.748 2.848 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.354 -3.742 3.862 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.245 -3.849 5.214 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.216 -6.335 3.504 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.084 -6.880 4.943 1.00 0.00 H new ATOM 983 N VAL A 63 10.205 -2.892 1.734 1.00 0.00 N ATOM 984 CA VAL A 63 10.805 -1.617 1.359 1.00 0.00 C ATOM 985 C VAL A 63 9.773 -0.689 0.729 1.00 0.00 C ATOM 986 O VAL A 63 9.668 0.481 1.099 1.00 0.00 O ATOM 987 CB VAL A 63 11.972 -1.815 0.373 1.00 0.00 C ATOM 988 CG1 VAL A 63 12.547 -0.471 -0.050 1.00 0.00 C ATOM 989 CG2 VAL A 63 13.048 -2.694 0.991 1.00 0.00 C ATOM 0 H VAL A 63 10.546 -3.691 1.200 1.00 0.00 H new ATOM 0 HA VAL A 63 11.186 -1.164 2.274 1.00 0.00 H new ATOM 0 HB VAL A 63 11.592 -2.317 -0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 63 13.370 -0.630 -0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.771 0.120 -0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.913 0.061 0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 63 13.865 -2.823 0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 63 13.427 -2.222 1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 63 12.625 -3.668 1.238 1.00 0.00 H new ATOM 999 N TRP A 64 9.013 -1.217 -0.224 1.00 0.00 N ATOM 1000 CA TRP A 64 7.988 -0.435 -0.905 1.00 0.00 C ATOM 1001 C TRP A 64 7.254 0.473 0.076 1.00 0.00 C ATOM 1002 O TRP A 64 6.781 1.548 -0.293 1.00 0.00 O ATOM 1003 CB TRP A 64 6.993 -1.361 -1.606 1.00 0.00 C ATOM 1004 CG TRP A 64 5.919 -0.625 -2.349 1.00 0.00 C ATOM 1005 CD1 TRP A 64 5.882 -0.364 -3.689 1.00 0.00 C ATOM 1006 CD2 TRP A 64 4.728 -0.056 -1.794 1.00 0.00 C ATOM 1007 NE1 TRP A 64 4.740 0.335 -4.000 1.00 0.00 N ATOM 1008 CE2 TRP A 64 4.015 0.535 -2.855 1.00 0.00 C ATOM 1009 CE3 TRP A 64 4.194 0.011 -0.504 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 2.799 1.184 -2.664 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 2.987 0.656 -0.316 1.00 0.00 C ATOM 1012 CH2 TRP A 64 2.299 1.235 -1.391 1.00 0.00 C ATOM 0 H TRP A 64 9.087 -2.183 -0.542 1.00 0.00 H new ATOM 0 HA TRP A 64 8.479 0.190 -1.651 1.00 0.00 H new ATOM 0 HB2 TRP A 64 7.533 -2.002 -2.303 1.00 0.00 H new ATOM 0 HB3 TRP A 64 6.531 -2.013 -0.865 1.00 0.00 H new ATOM 0 HD1 TRP A 64 6.638 -0.663 -4.400 1.00 0.00 H new ATOM 0 HE1 TRP A 64 4.475 0.653 -4.932 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.716 -0.433 0.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.268 1.632 -3.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.566 0.715 0.677 1.00 0.00 H new ATOM 0 HH2 TRP A 64 1.356 1.731 -1.211 1.00 0.00 H new ATOM 1023 N PHE A 65 7.162 0.034 1.326 1.00 0.00 N ATOM 1024 CA PHE A 65 6.484 0.807 2.360 1.00 0.00 C ATOM 1025 C PHE A 65 7.375 1.938 2.865 1.00 0.00 C ATOM 1026 O PHE A 65 6.949 3.091 2.938 1.00 0.00 O ATOM 1027 CB PHE A 65 6.084 -0.100 3.525 1.00 0.00 C ATOM 1028 CG PHE A 65 4.705 -0.680 3.387 1.00 0.00 C ATOM 1029 CD1 PHE A 65 4.412 -1.570 2.367 1.00 0.00 C ATOM 1030 CD2 PHE A 65 3.702 -0.335 4.278 1.00 0.00 C ATOM 1031 CE1 PHE A 65 3.144 -2.104 2.237 1.00 0.00 C ATOM 1032 CE2 PHE A 65 2.432 -0.866 4.154 1.00 0.00 C ATOM 1033 CZ PHE A 65 2.153 -1.752 3.133 1.00 0.00 C ATOM 0 H PHE A 65 7.548 -0.853 1.648 1.00 0.00 H new ATOM 0 HA PHE A 65 5.586 1.243 1.922 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.805 -0.913 3.606 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.139 0.469 4.453 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.184 -1.850 1.665 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.915 0.357 5.079 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.928 -2.796 1.436 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.659 -0.588 4.855 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.162 -2.169 3.035 1.00 0.00 H new ATOM 1043 N GLN A 66 8.612 1.599 3.212 1.00 0.00 N ATOM 1044 CA GLN A 66 9.563 2.586 3.711 1.00 0.00 C ATOM 1045 C GLN A 66 9.793 3.689 2.683 1.00 0.00 C ATOM 1046 O GLN A 66 10.066 4.835 3.039 1.00 0.00 O ATOM 1047 CB GLN A 66 10.891 1.914 4.062 1.00 0.00 C ATOM 1048 CG GLN A 66 11.870 1.859 2.900 1.00 0.00 C ATOM 1049 CD GLN A 66 13.232 1.335 3.309 1.00 0.00 C ATOM 1050 OE1 GLN A 66 14.256 1.972 3.059 1.00 0.00 O ATOM 1051 NE2 GLN A 66 13.252 0.168 3.943 1.00 0.00 N ATOM 0 H GLN A 66 8.979 0.649 3.157 1.00 0.00 H new ATOM 0 HA GLN A 66 9.143 3.035 4.611 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.353 2.451 4.890 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.695 0.900 4.410 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.461 1.223 2.115 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.981 2.857 2.476 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.379 -0.326 4.130 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.140 -0.234 4.243 1.00 0.00 H new ATOM 1060 N ASN A 67 9.681 3.334 1.407 1.00 0.00 N ATOM 1061 CA ASN A 67 9.878 4.294 0.327 1.00 0.00 C ATOM 1062 C ASN A 67 8.706 5.269 0.245 1.00 0.00 C ATOM 1063 O ASN A 67 8.897 6.473 0.074 1.00 0.00 O ATOM 1064 CB ASN A 67 10.043 3.565 -1.008 1.00 0.00 C ATOM 1065 CG ASN A 67 11.459 3.064 -1.221 1.00 0.00 C ATOM 1066 OD1 ASN A 67 12.415 3.626 -0.687 1.00 0.00 O ATOM 1067 ND2 ASN A 67 11.598 2.002 -2.006 1.00 0.00 N ATOM 0 H ASN A 67 9.455 2.389 1.096 1.00 0.00 H new ATOM 0 HA ASN A 67 10.785 4.860 0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.353 2.722 -1.047 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.772 4.237 -1.822 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.526 1.620 -2.187 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.777 1.568 -2.428 1.00 0.00 H new ATOM 1074 N THR A 68 7.493 4.739 0.369 1.00 0.00 N ATOM 1075 CA THR A 68 6.291 5.561 0.308 1.00 0.00 C ATOM 1076 C THR A 68 6.308 6.640 1.384 1.00 0.00 C ATOM 1077 O THR A 68 6.030 7.807 1.110 1.00 0.00 O ATOM 1078 CB THR A 68 5.019 4.708 0.472 1.00 0.00 C ATOM 1079 OG1 THR A 68 5.042 3.612 -0.449 1.00 0.00 O ATOM 1080 CG2 THR A 68 3.771 5.546 0.240 1.00 0.00 C ATOM 0 H THR A 68 7.317 3.745 0.512 1.00 0.00 H new ATOM 0 HA THR A 68 6.279 6.032 -0.675 1.00 0.00 H new ATOM 0 HB THR A 68 4.995 4.324 1.492 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.653 2.920 -0.119 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.886 4.922 0.361 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.741 6.362 0.962 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.790 5.956 -0.770 1.00 0.00 H new ATOM 1088 N ARG A 69 6.636 6.242 2.609 1.00 0.00 N ATOM 1089 CA ARG A 69 6.688 7.177 3.727 1.00 0.00 C ATOM 1090 C ARG A 69 7.558 8.384 3.387 1.00 0.00 C ATOM 1091 O ARG A 69 7.098 9.524 3.431 1.00 0.00 O ATOM 1092 CB ARG A 69 7.231 6.480 4.977 1.00 0.00 C ATOM 1093 CG ARG A 69 6.243 5.517 5.615 1.00 0.00 C ATOM 1094 CD ARG A 69 6.675 5.126 7.019 1.00 0.00 C ATOM 1095 NE ARG A 69 6.230 3.781 7.374 1.00 0.00 N ATOM 1096 CZ ARG A 69 6.826 3.028 8.292 1.00 0.00 C ATOM 1097 NH1 ARG A 69 7.885 3.486 8.944 1.00 0.00 N ATOM 1098 NH2 ARG A 69 6.362 1.814 8.558 1.00 0.00 N ATOM 0 H ARG A 69 6.870 5.279 2.852 1.00 0.00 H new ATOM 0 HA ARG A 69 5.674 7.525 3.924 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.138 5.936 4.714 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.514 7.235 5.710 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.256 5.978 5.652 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.154 4.623 4.998 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.761 5.180 7.092 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.272 5.842 7.735 1.00 0.00 H new ATOM 0 HE ARG A 69 5.417 3.399 6.891 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.244 4.419 8.742 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.341 2.906 9.648 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.547 1.458 8.058 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.820 1.236 9.263 1.00 0.00 H new ATOM 1112 N ALA A 70 8.816 8.123 3.047 1.00 0.00 N ATOM 1113 CA ALA A 70 9.749 9.188 2.698 1.00 0.00 C ATOM 1114 C ALA A 70 9.135 10.144 1.681 1.00 0.00 C ATOM 1115 O ALA A 70 9.405 11.345 1.702 1.00 0.00 O ATOM 1116 CB ALA A 70 11.043 8.599 2.158 1.00 0.00 C ATOM 0 H ALA A 70 9.212 7.184 3.006 1.00 0.00 H new ATOM 0 HA ALA A 70 9.970 9.755 3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.730 9.405 1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.498 7.962 2.917 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.830 8.007 1.268 1.00 0.00 H new ATOM 1122 N ARG A 71 8.309 9.603 0.791 1.00 0.00 N ATOM 1123 CA ARG A 71 7.659 10.408 -0.236 1.00 0.00 C ATOM 1124 C ARG A 71 6.553 11.269 0.367 1.00 0.00 C ATOM 1125 O ARG A 71 6.457 12.462 0.082 1.00 0.00 O ATOM 1126 CB ARG A 71 7.080 9.508 -1.329 1.00 0.00 C ATOM 1127 CG ARG A 71 8.132 8.704 -2.076 1.00 0.00 C ATOM 1128 CD ARG A 71 7.497 7.751 -3.077 1.00 0.00 C ATOM 1129 NE ARG A 71 8.494 7.114 -3.933 1.00 0.00 N ATOM 1130 CZ ARG A 71 8.208 6.151 -4.803 1.00 0.00 C ATOM 1131 NH1 ARG A 71 6.962 5.717 -4.931 1.00 0.00 N ATOM 1132 NH2 ARG A 71 9.170 5.620 -5.547 1.00 0.00 N ATOM 0 H ARG A 71 8.074 8.611 0.761 1.00 0.00 H new ATOM 0 HA ARG A 71 8.409 11.065 -0.675 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.361 8.822 -0.880 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.531 10.123 -2.042 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.809 9.382 -2.596 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.733 8.138 -1.364 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.935 6.985 -2.542 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.784 8.296 -3.695 1.00 0.00 H new ATOM 0 HE ARG A 71 9.463 7.425 -3.859 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.220 6.122 -4.361 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.746 4.978 -5.600 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.130 5.951 -5.451 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.949 4.881 -6.214 1.00 0.00 H new ATOM 1146 N GLU A 72 5.721 10.654 1.202 1.00 0.00 N ATOM 1147 CA GLU A 72 4.621 11.365 1.844 1.00 0.00 C ATOM 1148 C GLU A 72 5.143 12.516 2.699 1.00 0.00 C ATOM 1149 O GLU A 72 4.579 13.611 2.695 1.00 0.00 O ATOM 1150 CB GLU A 72 3.800 10.405 2.708 1.00 0.00 C ATOM 1151 CG GLU A 72 2.654 9.743 1.962 1.00 0.00 C ATOM 1152 CD GLU A 72 1.482 10.679 1.743 1.00 0.00 C ATOM 1153 OE1 GLU A 72 1.279 11.583 2.580 1.00 0.00 O ATOM 1154 OE2 GLU A 72 0.767 10.507 0.733 1.00 0.00 O ATOM 0 H GLU A 72 5.787 9.667 1.449 1.00 0.00 H new ATOM 0 HA GLU A 72 3.982 11.776 1.062 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.459 9.632 3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.399 10.951 3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.013 9.384 0.997 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.317 8.870 2.522 1.00 0.00 H new ATOM 1161 N ARG A 73 6.221 12.260 3.432 1.00 0.00 N ATOM 1162 CA ARG A 73 6.818 13.274 4.293 1.00 0.00 C ATOM 1163 C ARG A 73 7.544 14.331 3.466 1.00 0.00 C ATOM 1164 O ARG A 73 7.480 15.523 3.767 1.00 0.00 O ATOM 1165 CB ARG A 73 7.791 12.627 5.280 1.00 0.00 C ATOM 1166 CG ARG A 73 8.997 11.984 4.614 1.00 0.00 C ATOM 1167 CD ARG A 73 9.749 11.078 5.576 1.00 0.00 C ATOM 1168 NE ARG A 73 11.175 11.017 5.270 1.00 0.00 N ATOM 1169 CZ ARG A 73 12.059 11.907 5.707 1.00 0.00 C ATOM 1170 NH1 ARG A 73 11.665 12.920 6.466 1.00 0.00 N ATOM 1171 NH2 ARG A 73 13.341 11.784 5.386 1.00 0.00 N ATOM 0 H ARG A 73 6.699 11.359 3.447 1.00 0.00 H new ATOM 0 HA ARG A 73 6.016 13.760 4.849 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.136 13.383 5.985 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.260 11.871 5.858 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.671 11.407 3.749 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.667 12.761 4.245 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.612 11.439 6.595 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.326 10.074 5.534 1.00 0.00 H new ATOM 0 HE ARG A 73 11.511 10.249 4.689 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.681 13.017 6.716 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.346 13.602 6.800 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.648 11.005 4.803 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.019 12.468 5.722 1.00 0.00 H new ATOM 1185 N LYS A 74 8.235 13.886 2.422 1.00 0.00 N ATOM 1186 CA LYS A 74 8.973 14.793 1.550 1.00 0.00 C ATOM 1187 C LYS A 74 8.170 16.061 1.279 1.00 0.00 C ATOM 1188 O LYS A 74 8.655 17.172 1.494 1.00 0.00 O ATOM 1189 CB LYS A 74 9.312 14.099 0.228 1.00 0.00 C ATOM 1190 CG LYS A 74 10.319 14.859 -0.617 1.00 0.00 C ATOM 1191 CD LYS A 74 10.922 13.975 -1.695 1.00 0.00 C ATOM 1192 CE LYS A 74 12.225 14.553 -2.226 1.00 0.00 C ATOM 1193 NZ LYS A 74 12.487 14.133 -3.631 1.00 0.00 N ATOM 0 H LYS A 74 8.300 12.903 2.159 1.00 0.00 H new ATOM 0 HA LYS A 74 9.898 15.071 2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.705 13.105 0.440 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.396 13.964 -0.347 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.833 15.718 -1.079 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.112 15.247 0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.103 12.979 -1.291 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.212 13.863 -2.514 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.188 15.641 -2.173 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.050 14.231 -1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.384 14.548 -3.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.548 13.096 -3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.712 14.462 -4.242 1.00 0.00 H new ATOM 1207 N SER A 75 6.940 15.888 0.806 1.00 0.00 N ATOM 1208 CA SER A 75 6.071 17.019 0.503 1.00 0.00 C ATOM 1209 C SER A 75 4.970 17.153 1.551 1.00 0.00 C ATOM 1210 O SER A 75 4.318 16.174 1.912 1.00 0.00 O ATOM 1211 CB SER A 75 5.451 16.856 -0.886 1.00 0.00 C ATOM 1212 OG SER A 75 5.134 18.115 -1.454 1.00 0.00 O ATOM 0 H SER A 75 6.523 14.975 0.624 1.00 0.00 H new ATOM 0 HA SER A 75 6.677 17.925 0.518 1.00 0.00 H new ATOM 0 HB2 SER A 75 6.145 16.324 -1.537 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.549 16.248 -0.816 1.00 0.00 H new ATOM 0 HG SER A 75 4.741 17.984 -2.342 1.00 0.00 H new ATOM 1218 N GLY A 76 4.768 18.375 2.035 1.00 0.00 N ATOM 1219 CA GLY A 76 3.746 18.617 3.037 1.00 0.00 C ATOM 1220 C GLY A 76 2.348 18.357 2.512 1.00 0.00 C ATOM 1221 O GLY A 76 2.057 18.554 1.332 1.00 0.00 O ATOM 0 H GLY A 76 5.294 19.202 1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.931 17.979 3.902 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.816 19.649 3.381 1.00 0.00 H new ATOM 1225 N PRO A 77 1.453 17.901 3.402 1.00 0.00 N ATOM 1226 CA PRO A 77 0.063 17.602 3.045 1.00 0.00 C ATOM 1227 C PRO A 77 -0.739 18.862 2.736 1.00 0.00 C ATOM 1228 O PRO A 77 -0.541 19.905 3.359 1.00 0.00 O ATOM 1229 CB PRO A 77 -0.485 16.913 4.297 1.00 0.00 C ATOM 1230 CG PRO A 77 0.363 17.424 5.412 1.00 0.00 C ATOM 1231 CD PRO A 77 1.730 17.643 4.825 1.00 0.00 C ATOM 0 HA PRO A 77 -0.005 16.993 2.143 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.536 17.156 4.455 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.418 15.828 4.214 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.041 18.352 5.816 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.401 16.708 6.233 1.00 0.00 H new ATOM 0 HD2 PRO A 77 2.239 18.485 5.294 1.00 0.00 H new ATOM 0 HD3 PRO A 77 2.369 16.770 4.958 1.00 0.00 H new ATOM 1239 N SER A 78 -1.647 18.758 1.770 1.00 0.00 N ATOM 1240 CA SER A 78 -2.477 19.890 1.376 1.00 0.00 C ATOM 1241 C SER A 78 -2.983 20.645 2.602 1.00 0.00 C ATOM 1242 O SER A 78 -2.900 20.151 3.726 1.00 0.00 O ATOM 1243 CB SER A 78 -3.660 19.412 0.532 1.00 0.00 C ATOM 1244 OG SER A 78 -3.273 19.196 -0.813 1.00 0.00 O ATOM 0 H SER A 78 -1.826 17.901 1.246 1.00 0.00 H new ATOM 0 HA SER A 78 -1.866 20.568 0.780 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.060 18.489 0.951 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.460 20.152 0.569 1.00 0.00 H new ATOM 0 HG SER A 78 -4.047 18.889 -1.331 1.00 0.00 H new ATOM 1250 N SER A 79 -3.508 21.844 2.375 1.00 0.00 N ATOM 1251 CA SER A 79 -4.025 22.671 3.460 1.00 0.00 C ATOM 1252 C SER A 79 -3.187 22.495 4.722 1.00 0.00 C ATOM 1253 O SER A 79 -3.720 22.399 5.827 1.00 0.00 O ATOM 1254 CB SER A 79 -5.484 22.315 3.749 1.00 0.00 C ATOM 1255 OG SER A 79 -5.639 20.921 3.954 1.00 0.00 O ATOM 0 H SER A 79 -3.587 22.265 1.449 1.00 0.00 H new ATOM 0 HA SER A 79 -3.968 23.714 3.149 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.825 22.856 4.632 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.111 22.635 2.917 1.00 0.00 H new ATOM 0 HG SER A 79 -6.580 20.720 4.138 1.00 0.00 H new ATOM 1261 N GLY A 80 -1.869 22.455 4.550 1.00 0.00 N ATOM 1262 CA GLY A 80 -0.977 22.291 5.683 1.00 0.00 C ATOM 1263 C GLY A 80 -0.927 23.523 6.564 1.00 0.00 C ATOM 1264 O GLY A 80 -1.034 24.648 6.075 1.00 0.00 O ATOM 0 H GLY A 80 -1.403 22.533 3.646 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.302 21.437 6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.026 22.065 5.322 1.00 0.00 H new TER 1268 GLY A 80