USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 975 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 105 GLN : amide:sc= -0.0388 K(o=-0.019,f=-0.64) USER MOD Set 1.2: A 106 SER OG : rot 180:sc= 0.0197 USER MOD Set 2.1: A 85 LYS NZ :NH3+ -156:sc= 1.18 (180deg=0.392) USER MOD Set 2.2: A 91 HIS : no HD1:sc= -2.15 X(o=-0.97,f=-0.72) USER MOD Set 3.1: A 66 GLN : amide:sc= 0.336 K(o=1.6,f=-10!) USER MOD Set 3.2: A 69 LYS NZ :NH3+ 163:sc= 1.24 (180deg=0) USER MOD Set 4.1: A 8 HIS : no HE2:sc= -1.73! C(o=-1.6!,f=-16!) USER MOD Set 4.2: A 14 TYR OH : rot 15:sc= 0.875 USER MOD Set 4.3: A 62 HIS : no HE2:sc= -0.704 K(o=-1.6,f=-16!) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.115 (180deg=0) USER MOD Single : A 2 SER OG : rot 46:sc= 0.162 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 43:sc= 0.0353 USER MOD Single : A 7 THR OG1 : rot 38:sc= 0.581 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 144:sc= 1.22 (180deg=-0.388) USER MOD Single : A 23 MET CE :methyl -170:sc= -0.0575 (180deg=-0.249) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.042 USER MOD Single : A 28 SER OG : rot 74:sc= 1.15 USER MOD Single : A 29 SER OG : rot -171:sc= -1.2 USER MOD Single : A 35 GLN :FLIP amide:sc= -0.872 F(o=-3.4!,f=-0.87) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0354 USER MOD Single : A 46 CYS SG : rot 180:sc= -4.73! USER MOD Single : A 47 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0165) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.0898 X(o=-0.09,f=-0.35) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 57 SER OG : rot 180:sc= 0.00319 USER MOD Single : A 67 LYS NZ :NH3+ -137:sc= 1.31 (180deg=-1.11) USER MOD Single : A 75 CYS SG : rot -139:sc= 1.61 USER MOD Single : A 76 TYR OH : rot 47:sc= 0.559 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 159:sc= 0.71 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 89 THR OG1 : rot -27:sc= 0.439 USER MOD Single : A 92 HIS : no HE2:sc= -1.8 K(o=-1.8,f=-3) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.133 K(o=-0.13,f=-2.5!) USER MOD Single : A 99 LYS NZ :NH3+ -166:sc= -0.865 (180deg=-1.02) USER MOD Single : A 103 THR OG1 : rot 173:sc= -1.12 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.490 22.931 -16.975 1.00 0.00 N ATOM 2 CA GLY A 1 18.184 22.321 -17.326 1.00 0.00 C ATOM 3 C GLY A 1 17.557 21.605 -16.148 1.00 0.00 C ATOM 4 O GLY A 1 18.099 21.631 -15.039 1.00 0.00 O ATOM 0 H1 GLY A 1 19.491 23.933 -17.252 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.644 22.855 -15.949 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.252 22.433 -17.477 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.506 23.097 -17.682 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.322 21.617 -18.147 1.00 0.00 H new ATOM 10 N SER A 2 16.412 20.972 -16.384 1.00 0.00 N ATOM 11 CA SER A 2 15.683 20.270 -15.334 1.00 0.00 C ATOM 12 C SER A 2 16.437 19.018 -14.872 1.00 0.00 C ATOM 13 O SER A 2 16.359 17.965 -15.507 1.00 0.00 O ATOM 14 CB SER A 2 14.280 19.907 -15.836 1.00 0.00 C ATOM 15 OG SER A 2 14.339 19.297 -17.120 1.00 0.00 O ATOM 0 H SER A 2 15.967 20.931 -17.301 1.00 0.00 H new ATOM 0 HA SER A 2 15.594 20.931 -14.472 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.801 19.229 -15.129 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.664 20.805 -15.884 1.00 0.00 H new ATOM 0 HG SER A 2 15.043 18.615 -17.126 1.00 0.00 H new ATOM 21 N MET A 3 17.181 19.147 -13.774 1.00 0.00 N ATOM 22 CA MET A 3 17.945 18.026 -13.217 1.00 0.00 C ATOM 23 C MET A 3 17.209 17.410 -12.029 1.00 0.00 C ATOM 24 O MET A 3 17.607 16.361 -11.511 1.00 0.00 O ATOM 25 CB MET A 3 19.346 18.484 -12.772 1.00 0.00 C ATOM 26 CG MET A 3 20.245 18.960 -13.908 1.00 0.00 C ATOM 27 SD MET A 3 21.891 19.422 -13.325 1.00 0.00 S ATOM 28 CE MET A 3 22.691 19.897 -14.859 1.00 0.00 C ATOM 0 H MET A 3 17.272 20.017 -13.250 1.00 0.00 H new ATOM 0 HA MET A 3 18.051 17.275 -14.000 1.00 0.00 H new ATOM 0 HB2 MET A 3 19.238 19.292 -12.048 1.00 0.00 H new ATOM 0 HB3 MET A 3 19.838 17.659 -12.257 1.00 0.00 H new ATOM 0 HG2 MET A 3 20.334 18.171 -14.654 1.00 0.00 H new ATOM 0 HG3 MET A 3 19.783 19.815 -14.402 1.00 0.00 H new ATOM 0 HE1 MET A 3 23.716 20.206 -14.654 1.00 0.00 H new ATOM 0 HE2 MET A 3 22.698 19.049 -15.544 1.00 0.00 H new ATOM 0 HE3 MET A 3 22.146 20.725 -15.313 1.00 0.00 H new ATOM 38 N THR A 4 16.141 18.069 -11.601 1.00 0.00 N ATOM 39 CA THR A 4 15.367 17.629 -10.446 1.00 0.00 C ATOM 40 C THR A 4 14.551 16.371 -10.760 1.00 0.00 C ATOM 41 O THR A 4 13.718 16.361 -11.671 1.00 0.00 O ATOM 42 CB THR A 4 14.431 18.760 -9.952 1.00 0.00 C ATOM 43 OG1 THR A 4 13.804 19.400 -11.075 1.00 0.00 O ATOM 44 CG2 THR A 4 15.203 19.797 -9.136 1.00 0.00 C ATOM 0 H THR A 4 15.787 18.919 -12.041 1.00 0.00 H new ATOM 0 HA THR A 4 16.075 17.383 -9.654 1.00 0.00 H new ATOM 0 HB THR A 4 13.670 18.315 -9.311 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.507 18.720 -11.715 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.521 20.579 -8.802 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.654 19.315 -8.269 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.985 20.238 -9.754 1.00 0.00 H new ATOM 52 N GLU A 5 14.816 15.313 -9.998 1.00 0.00 N ATOM 53 CA GLU A 5 14.095 14.051 -10.106 1.00 0.00 C ATOM 54 C GLU A 5 14.293 13.253 -8.815 1.00 0.00 C ATOM 55 O GLU A 5 15.378 12.729 -8.554 1.00 0.00 O ATOM 56 CB GLU A 5 14.556 13.246 -11.338 1.00 0.00 C ATOM 57 CG GLU A 5 16.064 13.029 -11.430 1.00 0.00 C ATOM 58 CD GLU A 5 16.469 12.243 -12.668 1.00 0.00 C ATOM 59 OE1 GLU A 5 16.712 12.869 -13.724 1.00 0.00 O ATOM 60 OE2 GLU A 5 16.539 10.997 -12.597 1.00 0.00 O ATOM 0 H GLU A 5 15.543 15.309 -9.283 1.00 0.00 H new ATOM 0 HA GLU A 5 13.033 14.255 -10.243 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.063 12.274 -11.325 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.221 13.762 -12.238 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.566 13.996 -11.438 1.00 0.00 H new ATOM 0 HG3 GLU A 5 16.406 12.500 -10.541 1.00 0.00 H new ATOM 67 N GLU A 6 13.246 13.195 -8.001 1.00 0.00 N ATOM 68 CA GLU A 6 13.329 12.608 -6.667 1.00 0.00 C ATOM 69 C GLU A 6 11.928 12.334 -6.135 1.00 0.00 C ATOM 70 O GLU A 6 11.583 11.193 -5.823 1.00 0.00 O ATOM 71 CB GLU A 6 14.068 13.570 -5.724 1.00 0.00 C ATOM 72 CG GLU A 6 14.290 13.030 -4.317 1.00 0.00 C ATOM 73 CD GLU A 6 14.992 14.038 -3.419 1.00 0.00 C ATOM 74 OE1 GLU A 6 16.218 14.228 -3.570 1.00 0.00 O ATOM 75 OE2 GLU A 6 14.317 14.670 -2.578 1.00 0.00 O ATOM 0 H GLU A 6 12.321 13.550 -8.243 1.00 0.00 H new ATOM 0 HA GLU A 6 13.878 11.668 -6.721 1.00 0.00 H new ATOM 0 HB2 GLU A 6 15.035 13.816 -6.162 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.502 14.499 -5.658 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.330 12.761 -3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 6 14.884 12.117 -4.369 1.00 0.00 H new ATOM 82 N THR A 7 11.134 13.406 -6.058 1.00 0.00 N ATOM 83 CA THR A 7 9.750 13.361 -5.579 1.00 0.00 C ATOM 84 C THR A 7 9.635 12.705 -4.193 1.00 0.00 C ATOM 85 O THR A 7 9.730 11.486 -4.050 1.00 0.00 O ATOM 86 CB THR A 7 8.796 12.680 -6.603 1.00 0.00 C ATOM 87 OG1 THR A 7 9.380 11.481 -7.131 1.00 0.00 O ATOM 88 CG2 THR A 7 8.452 13.630 -7.746 1.00 0.00 C ATOM 0 H THR A 7 11.438 14.341 -6.330 1.00 0.00 H new ATOM 0 HA THR A 7 9.430 14.398 -5.475 1.00 0.00 H new ATOM 0 HB THR A 7 7.879 12.421 -6.073 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.876 11.019 -6.423 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.784 13.129 -8.447 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.960 14.517 -7.347 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.366 13.924 -8.262 1.00 0.00 H new ATOM 96 N HIS A 8 9.395 13.547 -3.189 1.00 0.00 N ATOM 97 CA HIS A 8 9.364 13.144 -1.776 1.00 0.00 C ATOM 98 C HIS A 8 9.103 14.386 -0.909 1.00 0.00 C ATOM 99 O HIS A 8 8.156 14.407 -0.128 1.00 0.00 O ATOM 100 CB HIS A 8 10.670 12.427 -1.356 1.00 0.00 C ATOM 101 CG HIS A 8 10.791 12.177 0.121 1.00 0.00 C ATOM 102 ND1 HIS A 8 10.166 11.144 0.779 1.00 0.00 N ATOM 103 CD2 HIS A 8 11.490 12.853 1.072 1.00 0.00 C ATOM 104 CE1 HIS A 8 10.494 11.219 2.074 1.00 0.00 C ATOM 105 NE2 HIS A 8 11.296 12.238 2.306 1.00 0.00 N ATOM 0 H HIS A 8 9.214 14.541 -3.331 1.00 0.00 H new ATOM 0 HA HIS A 8 8.557 12.426 -1.630 1.00 0.00 H new ATOM 0 HB2 HIS A 8 10.732 11.473 -1.880 1.00 0.00 H new ATOM 0 HB3 HIS A 8 11.520 13.026 -1.682 1.00 0.00 H new ATOM 0 HD1 HIS A 8 9.559 10.443 0.354 1.00 0.00 H new ATOM 0 HD2 HIS A 8 12.099 13.728 0.898 1.00 0.00 H new ATOM 0 HE1 HIS A 8 10.146 10.532 2.832 1.00 0.00 H new ATOM 113 N PRO A 9 9.923 15.462 -1.054 1.00 0.00 N ATOM 114 CA PRO A 9 9.624 16.761 -0.446 1.00 0.00 C ATOM 115 C PRO A 9 8.737 17.587 -1.379 1.00 0.00 C ATOM 116 O PRO A 9 8.437 18.758 -1.128 1.00 0.00 O ATOM 117 CB PRO A 9 11.010 17.389 -0.295 1.00 0.00 C ATOM 118 CG PRO A 9 11.791 16.864 -1.456 1.00 0.00 C ATOM 119 CD PRO A 9 11.206 15.508 -1.799 1.00 0.00 C ATOM 0 HA PRO A 9 9.083 16.696 0.498 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.956 18.478 -0.313 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.471 17.109 0.652 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.722 17.542 -2.307 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.848 16.777 -1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.047 15.404 -2.872 1.00 0.00 H new ATOM 0 HD3 PRO A 9 11.871 14.700 -1.496 1.00 0.00 H new ATOM 127 N ASP A 10 8.340 16.937 -2.465 1.00 0.00 N ATOM 128 CA ASP A 10 7.512 17.527 -3.503 1.00 0.00 C ATOM 129 C ASP A 10 6.692 16.408 -4.138 1.00 0.00 C ATOM 130 O ASP A 10 7.238 15.558 -4.849 1.00 0.00 O ATOM 131 CB ASP A 10 8.395 18.219 -4.553 1.00 0.00 C ATOM 132 CG ASP A 10 7.593 19.015 -5.571 1.00 0.00 C ATOM 133 OD1 ASP A 10 7.241 20.176 -5.272 1.00 0.00 O ATOM 134 OD2 ASP A 10 7.328 18.494 -6.676 1.00 0.00 O ATOM 0 H ASP A 10 8.591 15.966 -2.651 1.00 0.00 H new ATOM 0 HA ASP A 10 6.848 18.281 -3.081 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.095 18.885 -4.049 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.988 17.467 -5.073 1.00 0.00 H new ATOM 139 N ASP A 11 5.396 16.383 -3.855 1.00 0.00 N ATOM 140 CA ASP A 11 4.535 15.260 -4.239 1.00 0.00 C ATOM 141 C ASP A 11 4.046 15.391 -5.686 1.00 0.00 C ATOM 142 O ASP A 11 2.907 15.043 -5.996 1.00 0.00 O ATOM 143 CB ASP A 11 3.336 15.156 -3.278 1.00 0.00 C ATOM 144 CG ASP A 11 2.403 16.362 -3.349 1.00 0.00 C ATOM 145 OD1 ASP A 11 2.760 17.427 -2.805 1.00 0.00 O ATOM 146 OD2 ASP A 11 1.301 16.249 -3.931 1.00 0.00 O ATOM 0 H ASP A 11 4.911 17.130 -3.358 1.00 0.00 H new ATOM 0 HA ASP A 11 5.129 14.348 -4.172 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.771 14.253 -3.509 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.704 15.049 -2.258 1.00 0.00 H new ATOM 151 N ASP A 12 4.944 15.826 -6.567 1.00 0.00 N ATOM 152 CA ASP A 12 4.626 16.105 -7.975 1.00 0.00 C ATOM 153 C ASP A 12 3.742 15.026 -8.611 1.00 0.00 C ATOM 154 O ASP A 12 2.797 15.336 -9.339 1.00 0.00 O ATOM 155 CB ASP A 12 5.929 16.240 -8.776 1.00 0.00 C ATOM 156 CG ASP A 12 5.702 16.643 -10.229 1.00 0.00 C ATOM 157 OD1 ASP A 12 5.658 17.859 -10.512 1.00 0.00 O ATOM 158 OD2 ASP A 12 5.592 15.747 -11.096 1.00 0.00 O ATOM 0 H ASP A 12 5.921 15.998 -6.327 1.00 0.00 H new ATOM 0 HA ASP A 12 4.061 17.037 -7.999 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.568 16.981 -8.296 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.465 15.291 -8.748 1.00 0.00 H new ATOM 163 N SER A 13 4.040 13.757 -8.331 1.00 0.00 N ATOM 164 CA SER A 13 3.345 12.645 -8.982 1.00 0.00 C ATOM 165 C SER A 13 2.714 11.685 -7.964 1.00 0.00 C ATOM 166 O SER A 13 2.365 10.551 -8.306 1.00 0.00 O ATOM 167 CB SER A 13 4.337 11.888 -9.875 1.00 0.00 C ATOM 168 OG SER A 13 5.019 12.777 -10.751 1.00 0.00 O ATOM 0 H SER A 13 4.755 13.474 -7.661 1.00 0.00 H new ATOM 0 HA SER A 13 2.534 13.055 -9.583 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.060 11.359 -9.254 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.806 11.135 -10.457 1.00 0.00 H new ATOM 0 HG SER A 13 5.646 12.270 -11.308 1.00 0.00 H new ATOM 174 N TYR A 14 2.543 12.143 -6.724 1.00 0.00 N ATOM 175 CA TYR A 14 2.000 11.292 -5.661 1.00 0.00 C ATOM 176 C TYR A 14 0.485 11.422 -5.574 1.00 0.00 C ATOM 177 O TYR A 14 -0.035 12.426 -5.085 1.00 0.00 O ATOM 178 CB TYR A 14 2.644 11.628 -4.308 1.00 0.00 C ATOM 179 CG TYR A 14 4.043 11.072 -4.170 1.00 0.00 C ATOM 180 CD1 TYR A 14 5.143 11.770 -4.653 1.00 0.00 C ATOM 181 CD2 TYR A 14 4.263 9.836 -3.573 1.00 0.00 C ATOM 182 CE1 TYR A 14 6.413 11.249 -4.554 1.00 0.00 C ATOM 183 CE2 TYR A 14 5.534 9.313 -3.465 1.00 0.00 C ATOM 184 CZ TYR A 14 6.606 10.025 -3.958 1.00 0.00 C ATOM 185 OH TYR A 14 7.871 9.500 -3.873 1.00 0.00 O ATOM 0 H TYR A 14 2.771 13.093 -6.430 1.00 0.00 H new ATOM 0 HA TYR A 14 2.239 10.258 -5.910 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.675 12.711 -4.184 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.020 11.233 -3.506 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.999 12.736 -5.113 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.424 9.276 -3.187 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.256 11.800 -4.944 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.689 8.352 -2.997 1.00 0.00 H new ATOM 0 HH TYR A 14 8.530 10.202 -4.056 1.00 0.00 H new ATOM 195 N ILE A 15 -0.211 10.386 -6.036 1.00 0.00 N ATOM 196 CA ILE A 15 -1.669 10.391 -6.082 1.00 0.00 C ATOM 197 C ILE A 15 -2.260 10.278 -4.677 1.00 0.00 C ATOM 198 O ILE A 15 -3.026 11.140 -4.246 1.00 0.00 O ATOM 199 CB ILE A 15 -2.205 9.233 -6.963 1.00 0.00 C ATOM 200 CG1 ILE A 15 -1.585 9.294 -8.370 1.00 0.00 C ATOM 201 CG2 ILE A 15 -3.731 9.280 -7.047 1.00 0.00 C ATOM 202 CD1 ILE A 15 -2.048 8.186 -9.295 1.00 0.00 C ATOM 0 H ILE A 15 0.215 9.528 -6.386 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.976 11.340 -6.522 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.917 8.289 -6.500 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.828 10.256 -8.822 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.500 9.249 -8.280 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.087 8.459 -7.670 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.154 9.186 -6.047 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.042 10.229 -7.485 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.567 8.298 -10.267 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.781 7.220 -8.867 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.130 8.242 -9.417 1.00 0.00 H new ATOM 214 N VAL A 16 -1.897 9.215 -3.961 1.00 0.00 N ATOM 215 CA VAL A 16 -2.447 8.966 -2.627 1.00 0.00 C ATOM 216 C VAL A 16 -1.333 8.712 -1.616 1.00 0.00 C ATOM 217 O VAL A 16 -0.413 7.937 -1.876 1.00 0.00 O ATOM 218 CB VAL A 16 -3.418 7.752 -2.621 1.00 0.00 C ATOM 219 CG1 VAL A 16 -3.987 7.507 -1.222 1.00 0.00 C ATOM 220 CG2 VAL A 16 -4.544 7.950 -3.635 1.00 0.00 C ATOM 0 H VAL A 16 -1.227 8.514 -4.279 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.001 9.861 -2.345 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.848 6.869 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.663 6.652 -1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.171 7.304 -0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.533 8.391 -0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.210 7.088 -3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.106 8.849 -3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.120 8.055 -4.634 1.00 0.00 H new ATOM 230 N ARG A 17 -1.413 9.388 -0.472 1.00 0.00 N ATOM 231 CA ARG A 17 -0.484 9.172 0.633 1.00 0.00 C ATOM 232 C ARG A 17 -1.274 8.919 1.915 1.00 0.00 C ATOM 233 O ARG A 17 -2.006 9.795 2.381 1.00 0.00 O ATOM 234 CB ARG A 17 0.453 10.380 0.835 1.00 0.00 C ATOM 235 CG ARG A 17 1.274 10.767 -0.396 1.00 0.00 C ATOM 236 CD ARG A 17 0.490 11.656 -1.356 1.00 0.00 C ATOM 237 NE ARG A 17 0.247 12.990 -0.799 1.00 0.00 N ATOM 238 CZ ARG A 17 0.120 14.098 -1.536 1.00 0.00 C ATOM 239 NH1 ARG A 17 0.130 14.028 -2.866 1.00 0.00 N ATOM 240 NH2 ARG A 17 -0.039 15.275 -0.943 1.00 0.00 N ATOM 0 H ARG A 17 -2.121 10.098 -0.286 1.00 0.00 H new ATOM 0 HA ARG A 17 0.133 8.307 0.392 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.145 11.239 1.140 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.136 10.159 1.655 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.178 11.287 -0.079 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.592 9.864 -0.917 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.039 11.749 -2.293 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.463 11.183 -1.591 1.00 0.00 H new ATOM 0 HE ARG A 17 0.170 13.078 0.214 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.235 13.125 -3.328 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.033 14.877 -3.422 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.064 15.334 0.075 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.136 16.120 -1.505 1.00 0.00 H new ATOM 254 N VAL A 18 -1.145 7.720 2.474 1.00 0.00 N ATOM 255 CA VAL A 18 -1.858 7.356 3.699 1.00 0.00 C ATOM 256 C VAL A 18 -0.882 6.893 4.777 1.00 0.00 C ATOM 257 O VAL A 18 0.289 6.623 4.494 1.00 0.00 O ATOM 258 CB VAL A 18 -2.920 6.251 3.447 1.00 0.00 C ATOM 259 CG1 VAL A 18 -4.008 6.751 2.496 1.00 0.00 C ATOM 260 CG2 VAL A 18 -2.269 4.978 2.908 1.00 0.00 C ATOM 0 H VAL A 18 -0.552 6.980 2.099 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.376 8.252 4.042 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.388 6.010 4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.741 5.961 2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.501 7.620 2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.558 7.030 1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.035 4.221 2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.764 5.198 1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.543 4.606 3.631 1.00 0.00 H new ATOM 270 N LYS A 19 -1.371 6.813 6.011 1.00 0.00 N ATOM 271 CA LYS A 19 -0.548 6.406 7.145 1.00 0.00 C ATOM 272 C LYS A 19 -0.553 4.889 7.295 1.00 0.00 C ATOM 273 O LYS A 19 -1.597 4.249 7.176 1.00 0.00 O ATOM 274 CB LYS A 19 -1.052 7.061 8.440 1.00 0.00 C ATOM 275 CG LYS A 19 -0.319 6.584 9.694 1.00 0.00 C ATOM 276 CD LYS A 19 -0.816 7.291 10.951 1.00 0.00 C ATOM 277 CE LYS A 19 -0.134 6.756 12.206 1.00 0.00 C ATOM 278 NZ LYS A 19 1.347 6.885 12.136 1.00 0.00 N ATOM 0 H LYS A 19 -2.339 7.026 6.252 1.00 0.00 H new ATOM 0 HA LYS A 19 0.474 6.737 6.958 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.944 8.142 8.356 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.116 6.854 8.551 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.454 5.508 9.806 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.750 6.760 9.578 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.630 8.362 10.864 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.895 7.161 11.039 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.504 7.296 13.077 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.400 5.708 12.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.721 7.109 13.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.758 5.989 11.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.598 7.647 11.474 1.00 0.00 H new ATOM 292 N ALA A 20 0.622 4.333 7.557 1.00 0.00 N ATOM 293 CA ALA A 20 0.788 2.901 7.764 1.00 0.00 C ATOM 294 C ALA A 20 2.194 2.632 8.289 1.00 0.00 C ATOM 295 O ALA A 20 2.879 3.556 8.745 1.00 0.00 O ATOM 296 CB ALA A 20 0.539 2.137 6.463 1.00 0.00 C ATOM 0 H ALA A 20 1.490 4.864 7.632 1.00 0.00 H new ATOM 0 HA ALA A 20 0.059 2.554 8.497 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.668 1.069 6.638 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.477 2.328 6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.248 2.469 5.705 1.00 0.00 H new ATOM 302 N VAL A 21 2.618 1.373 8.244 1.00 0.00 N ATOM 303 CA VAL A 21 3.984 1.013 8.594 1.00 0.00 C ATOM 304 C VAL A 21 4.513 -0.060 7.650 1.00 0.00 C ATOM 305 O VAL A 21 3.875 -1.096 7.443 1.00 0.00 O ATOM 306 CB VAL A 21 4.107 0.529 10.063 1.00 0.00 C ATOM 307 CG1 VAL A 21 3.171 -0.642 10.343 1.00 0.00 C ATOM 308 CG2 VAL A 21 5.557 0.162 10.389 1.00 0.00 C ATOM 0 H VAL A 21 2.032 0.585 7.968 1.00 0.00 H new ATOM 0 HA VAL A 21 4.586 1.916 8.492 1.00 0.00 H new ATOM 0 HB VAL A 21 3.807 1.351 10.713 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.282 -0.957 11.381 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.140 -0.335 10.165 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.420 -1.473 9.683 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.623 -0.175 11.423 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.888 -0.637 9.725 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.193 1.036 10.251 1.00 0.00 H new ATOM 318 N VAL A 22 5.668 0.211 7.058 1.00 0.00 N ATOM 319 CA VAL A 22 6.339 -0.750 6.199 1.00 0.00 C ATOM 320 C VAL A 22 7.113 -1.752 7.052 1.00 0.00 C ATOM 321 O VAL A 22 7.848 -1.367 7.963 1.00 0.00 O ATOM 322 CB VAL A 22 7.292 -0.051 5.195 1.00 0.00 C ATOM 323 CG1 VAL A 22 6.500 0.813 4.214 1.00 0.00 C ATOM 324 CG2 VAL A 22 8.340 0.792 5.929 1.00 0.00 C ATOM 0 H VAL A 22 6.162 1.098 7.160 1.00 0.00 H new ATOM 0 HA VAL A 22 5.579 -1.275 5.620 1.00 0.00 H new ATOM 0 HB VAL A 22 7.814 -0.824 4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.186 1.295 3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.801 0.187 3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.947 1.574 4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.996 1.271 5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.840 1.555 6.526 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.931 0.150 6.582 1.00 0.00 H new ATOM 334 N MET A 23 6.933 -3.034 6.764 1.00 0.00 N ATOM 335 CA MET A 23 7.551 -4.102 7.547 1.00 0.00 C ATOM 336 C MET A 23 8.557 -4.856 6.682 1.00 0.00 C ATOM 337 O MET A 23 8.244 -5.250 5.556 1.00 0.00 O ATOM 338 CB MET A 23 6.470 -5.063 8.071 1.00 0.00 C ATOM 339 CG MET A 23 5.375 -4.374 8.883 1.00 0.00 C ATOM 340 SD MET A 23 5.956 -3.716 10.460 1.00 0.00 S ATOM 341 CE MET A 23 6.235 -5.228 11.379 1.00 0.00 C ATOM 0 H MET A 23 6.360 -3.364 5.988 1.00 0.00 H new ATOM 0 HA MET A 23 8.073 -3.668 8.400 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.013 -5.577 7.225 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.943 -5.825 8.690 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.953 -3.561 8.292 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.570 -5.085 9.069 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.425 -4.988 12.425 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.354 -5.865 11.307 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.097 -5.752 10.965 1.00 0.00 H new ATOM 351 N THR A 24 9.763 -5.042 7.205 1.00 0.00 N ATOM 352 CA THR A 24 10.823 -5.720 6.466 1.00 0.00 C ATOM 353 C THR A 24 11.010 -7.145 6.957 1.00 0.00 C ATOM 354 O THR A 24 10.563 -7.506 8.046 1.00 0.00 O ATOM 355 CB THR A 24 12.171 -4.959 6.553 1.00 0.00 C ATOM 356 OG1 THR A 24 13.178 -5.657 5.806 1.00 0.00 O ATOM 357 CG2 THR A 24 12.635 -4.798 7.997 1.00 0.00 C ATOM 0 H THR A 24 10.032 -4.733 8.139 1.00 0.00 H new ATOM 0 HA THR A 24 10.509 -5.740 5.422 1.00 0.00 H new ATOM 0 HB THR A 24 12.015 -3.966 6.131 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.026 -5.169 5.865 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.583 -4.260 8.017 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.888 -4.238 8.559 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.766 -5.781 8.449 1.00 0.00 H new ATOM 365 N ARG A 25 11.665 -7.945 6.129 1.00 0.00 N ATOM 366 CA ARG A 25 11.971 -9.333 6.446 1.00 0.00 C ATOM 367 C ARG A 25 13.489 -9.517 6.416 1.00 0.00 C ATOM 368 O ARG A 25 14.007 -10.626 6.272 1.00 0.00 O ATOM 369 CB ARG A 25 11.249 -10.254 5.443 1.00 0.00 C ATOM 370 CG ARG A 25 11.382 -11.747 5.733 1.00 0.00 C ATOM 371 CD ARG A 25 10.450 -12.575 4.855 1.00 0.00 C ATOM 372 NE ARG A 25 10.768 -14.004 4.908 1.00 0.00 N ATOM 373 CZ ARG A 25 9.926 -14.957 5.312 1.00 0.00 C ATOM 374 NH1 ARG A 25 8.735 -14.643 5.814 1.00 0.00 N ATOM 375 NH2 ARG A 25 10.298 -16.226 5.241 1.00 0.00 N ATOM 0 H ARG A 25 12.001 -7.648 5.213 1.00 0.00 H new ATOM 0 HA ARG A 25 11.619 -9.597 7.443 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.191 -9.994 5.430 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.639 -10.056 4.444 1.00 0.00 H new ATOM 0 HG2 ARG A 25 12.413 -12.060 5.567 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.157 -11.936 6.783 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.419 -12.421 5.175 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.519 -12.227 3.824 1.00 0.00 H new ATOM 0 HE ARG A 25 11.702 -14.292 4.615 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.457 -13.665 5.893 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.100 -15.380 6.120 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.221 -16.467 4.880 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.662 -16.962 5.547 1.00 0.00 H new ATOM 389 N ASP A 26 14.186 -8.386 6.566 1.00 0.00 N ATOM 390 CA ASP A 26 15.654 -8.336 6.613 1.00 0.00 C ATOM 391 C ASP A 26 16.271 -9.119 5.454 1.00 0.00 C ATOM 392 O ASP A 26 17.294 -9.791 5.607 1.00 0.00 O ATOM 393 CB ASP A 26 16.170 -8.854 7.967 1.00 0.00 C ATOM 394 CG ASP A 26 17.662 -8.619 8.164 1.00 0.00 C ATOM 395 OD1 ASP A 26 18.102 -7.452 8.064 1.00 0.00 O ATOM 396 OD2 ASP A 26 18.406 -9.595 8.419 1.00 0.00 O ATOM 0 H ASP A 26 13.745 -7.471 6.659 1.00 0.00 H new ATOM 0 HA ASP A 26 15.960 -7.295 6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.621 -8.363 8.771 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.962 -9.921 8.045 1.00 0.00 H new ATOM 401 N ASP A 27 15.630 -9.014 4.294 1.00 0.00 N ATOM 402 CA ASP A 27 16.099 -9.641 3.056 1.00 0.00 C ATOM 403 C ASP A 27 15.896 -11.161 3.047 1.00 0.00 C ATOM 404 O ASP A 27 15.268 -11.692 2.130 1.00 0.00 O ATOM 405 CB ASP A 27 17.572 -9.287 2.783 1.00 0.00 C ATOM 406 CG ASP A 27 18.140 -9.998 1.564 1.00 0.00 C ATOM 407 OD1 ASP A 27 17.648 -9.754 0.442 1.00 0.00 O ATOM 408 OD2 ASP A 27 19.079 -10.805 1.722 1.00 0.00 O ATOM 0 H ASP A 27 14.763 -8.488 4.183 1.00 0.00 H new ATOM 0 HA ASP A 27 15.486 -9.236 2.251 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.661 -8.210 2.642 1.00 0.00 H new ATOM 0 HB3 ASP A 27 18.170 -9.544 3.658 1.00 0.00 H new ATOM 413 N SER A 28 16.413 -11.869 4.055 1.00 0.00 N ATOM 414 CA SER A 28 16.372 -13.336 4.048 1.00 0.00 C ATOM 415 C SER A 28 15.979 -13.921 5.409 1.00 0.00 C ATOM 416 O SER A 28 16.206 -15.105 5.668 1.00 0.00 O ATOM 417 CB SER A 28 17.736 -13.884 3.614 1.00 0.00 C ATOM 418 OG SER A 28 18.124 -13.337 2.365 1.00 0.00 O ATOM 0 H SER A 28 16.859 -11.459 4.876 1.00 0.00 H new ATOM 0 HA SER A 28 15.602 -13.639 3.338 1.00 0.00 H new ATOM 0 HB2 SER A 28 18.485 -13.646 4.369 1.00 0.00 H new ATOM 0 HB3 SER A 28 17.690 -14.971 3.542 1.00 0.00 H new ATOM 0 HG SER A 28 18.398 -12.404 2.487 1.00 0.00 H new ATOM 424 N SER A 29 15.375 -13.110 6.269 1.00 0.00 N ATOM 425 CA SER A 29 14.911 -13.594 7.570 1.00 0.00 C ATOM 426 C SER A 29 13.506 -14.192 7.445 1.00 0.00 C ATOM 427 O SER A 29 13.011 -14.392 6.334 1.00 0.00 O ATOM 428 CB SER A 29 14.935 -12.458 8.595 1.00 0.00 C ATOM 429 OG SER A 29 16.256 -11.971 8.772 1.00 0.00 O ATOM 0 H SER A 29 15.194 -12.121 6.094 1.00 0.00 H new ATOM 0 HA SER A 29 15.583 -14.379 7.916 1.00 0.00 H new ATOM 0 HB2 SER A 29 14.285 -11.648 8.263 1.00 0.00 H new ATOM 0 HB3 SER A 29 14.542 -12.813 9.548 1.00 0.00 H new ATOM 0 HG SER A 29 16.276 -11.348 9.528 1.00 0.00 H new ATOM 435 N GLY A 30 12.878 -14.499 8.581 1.00 0.00 N ATOM 436 CA GLY A 30 11.542 -15.079 8.574 1.00 0.00 C ATOM 437 C GLY A 30 10.496 -14.126 9.121 1.00 0.00 C ATOM 438 O GLY A 30 9.411 -13.988 8.553 1.00 0.00 O ATOM 0 H GLY A 30 13.273 -14.355 9.510 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.276 -15.360 7.555 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.542 -15.993 9.167 1.00 0.00 H new ATOM 442 N GLY A 31 10.826 -13.468 10.229 1.00 0.00 N ATOM 443 CA GLY A 31 9.896 -12.549 10.864 1.00 0.00 C ATOM 444 C GLY A 31 9.813 -11.213 10.149 1.00 0.00 C ATOM 445 O GLY A 31 10.609 -10.931 9.249 1.00 0.00 O ATOM 0 H GLY A 31 11.726 -13.556 10.701 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.906 -13.003 10.893 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.202 -12.385 11.897 1.00 0.00 H new ATOM 449 N TRP A 32 8.849 -10.390 10.555 1.00 0.00 N ATOM 450 CA TRP A 32 8.650 -9.067 9.966 1.00 0.00 C ATOM 451 C TRP A 32 8.863 -7.992 11.029 1.00 0.00 C ATOM 452 O TRP A 32 8.168 -7.961 12.050 1.00 0.00 O ATOM 453 CB TRP A 32 7.249 -8.952 9.346 1.00 0.00 C ATOM 454 CG TRP A 32 7.042 -9.882 8.183 1.00 0.00 C ATOM 455 CD1 TRP A 32 6.586 -11.169 8.228 1.00 0.00 C ATOM 456 CD2 TRP A 32 7.295 -9.598 6.803 1.00 0.00 C ATOM 457 NE1 TRP A 32 6.530 -11.696 6.961 1.00 0.00 N ATOM 458 CE2 TRP A 32 6.961 -10.750 6.067 1.00 0.00 C ATOM 459 CE3 TRP A 32 7.766 -8.476 6.119 1.00 0.00 C ATOM 460 CZ2 TRP A 32 7.086 -10.811 4.681 1.00 0.00 C ATOM 461 CZ3 TRP A 32 7.891 -8.540 4.745 1.00 0.00 C ATOM 462 CH2 TRP A 32 7.551 -9.699 4.040 1.00 0.00 C ATOM 0 H TRP A 32 8.187 -10.619 11.297 1.00 0.00 H new ATOM 0 HA TRP A 32 9.379 -8.922 9.169 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.501 -9.163 10.110 1.00 0.00 H new ATOM 0 HB3 TRP A 32 7.087 -7.926 9.017 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.310 -11.696 9.129 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.218 -12.638 6.724 1.00 0.00 H new ATOM 0 HE3 TRP A 32 8.028 -7.575 6.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.825 -11.705 4.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 8.258 -7.679 4.205 1.00 0.00 H new ATOM 0 HH2 TRP A 32 7.659 -9.715 2.965 1.00 0.00 H new ATOM 473 N PHE A 33 9.827 -7.114 10.779 1.00 0.00 N ATOM 474 CA PHE A 33 10.290 -6.145 11.772 1.00 0.00 C ATOM 475 C PHE A 33 9.698 -4.761 11.493 1.00 0.00 C ATOM 476 O PHE A 33 9.340 -4.462 10.350 1.00 0.00 O ATOM 477 CB PHE A 33 11.826 -6.070 11.740 1.00 0.00 C ATOM 478 CG PHE A 33 12.483 -7.397 11.465 1.00 0.00 C ATOM 479 CD1 PHE A 33 12.670 -7.818 10.158 1.00 0.00 C ATOM 480 CD2 PHE A 33 12.900 -8.225 12.495 1.00 0.00 C ATOM 481 CE1 PHE A 33 13.253 -9.030 9.879 1.00 0.00 C ATOM 482 CE2 PHE A 33 13.491 -9.444 12.223 1.00 0.00 C ATOM 483 CZ PHE A 33 13.667 -9.849 10.912 1.00 0.00 C ATOM 0 H PHE A 33 10.311 -7.052 9.883 1.00 0.00 H new ATOM 0 HA PHE A 33 9.960 -6.470 12.759 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.132 -5.356 10.975 1.00 0.00 H new ATOM 0 HB3 PHE A 33 12.184 -5.687 12.696 1.00 0.00 H new ATOM 0 HD1 PHE A 33 12.352 -7.182 9.345 1.00 0.00 H new ATOM 0 HD2 PHE A 33 12.762 -7.915 13.520 1.00 0.00 H new ATOM 0 HE1 PHE A 33 13.388 -9.342 8.854 1.00 0.00 H new ATOM 0 HE2 PHE A 33 13.815 -10.080 13.033 1.00 0.00 H new ATOM 0 HZ PHE A 33 14.127 -10.802 10.697 1.00 0.00 H new ATOM 493 N PRO A 34 9.610 -3.895 12.532 1.00 0.00 N ATOM 494 CA PRO A 34 9.090 -2.517 12.400 1.00 0.00 C ATOM 495 C PRO A 34 9.846 -1.689 11.353 1.00 0.00 C ATOM 496 O PRO A 34 9.418 -0.583 10.998 1.00 0.00 O ATOM 497 CB PRO A 34 9.291 -1.922 13.803 1.00 0.00 C ATOM 498 CG PRO A 34 9.322 -3.101 14.714 1.00 0.00 C ATOM 499 CD PRO A 34 9.987 -4.199 13.930 1.00 0.00 C ATOM 0 HA PRO A 34 8.054 -2.512 12.061 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.218 -1.352 13.862 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.481 -1.241 14.064 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.877 -2.878 15.625 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.315 -3.389 15.017 1.00 0.00 H new ATOM 0 HD2 PRO A 34 11.069 -4.192 14.066 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.634 -5.183 14.237 1.00 0.00 H new ATOM 507 N GLN A 35 10.986 -2.220 10.902 1.00 0.00 N ATOM 508 CA GLN A 35 11.773 -1.632 9.818 1.00 0.00 C ATOM 509 C GLN A 35 12.481 -0.360 10.296 1.00 0.00 C ATOM 510 O GLN A 35 13.701 -0.349 10.476 1.00 0.00 O ATOM 511 CB GLN A 35 10.874 -1.355 8.591 1.00 0.00 C ATOM 512 CG GLN A 35 11.604 -1.291 7.249 1.00 0.00 C ATOM 513 CD GLN A 35 12.481 -0.064 7.089 1.00 0.00 C ATOM 514 OE1 GLN A 35 11.911 1.005 6.565 1.00 0.00 O flip ATOM 515 NE2 GLN A 35 13.661 -0.079 7.432 1.00 0.00 N flip ATOM 0 H GLN A 35 11.390 -3.076 11.282 1.00 0.00 H new ATOM 0 HA GLN A 35 12.542 -2.342 9.515 1.00 0.00 H new ATOM 0 HB2 GLN A 35 10.113 -2.133 8.535 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.353 -0.411 8.748 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.220 -2.184 7.138 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.869 -1.308 6.444 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.065 -0.925 7.833 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.237 0.755 7.315 1.00 0.00 H new ATOM 524 N GLU A 36 11.706 0.699 10.517 1.00 0.00 N ATOM 525 CA GLU A 36 12.249 1.979 10.971 1.00 0.00 C ATOM 526 C GLU A 36 11.121 2.828 11.560 1.00 0.00 C ATOM 527 O GLU A 36 11.188 3.264 12.712 1.00 0.00 O ATOM 528 CB GLU A 36 12.927 2.720 9.797 1.00 0.00 C ATOM 529 CG GLU A 36 14.227 3.439 10.162 1.00 0.00 C ATOM 530 CD GLU A 36 14.060 4.482 11.257 1.00 0.00 C ATOM 531 OE1 GLU A 36 13.745 5.645 10.935 1.00 0.00 O ATOM 532 OE2 GLU A 36 14.257 4.145 12.447 1.00 0.00 O ATOM 0 H GLU A 36 10.694 0.696 10.388 1.00 0.00 H new ATOM 0 HA GLU A 36 13.001 1.800 11.740 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.135 2.002 9.003 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.226 3.449 9.392 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.962 2.701 10.484 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.628 3.921 9.271 1.00 0.00 H new ATOM 539 N GLY A 37 10.077 3.032 10.760 1.00 0.00 N ATOM 540 CA GLY A 37 8.939 3.830 11.190 1.00 0.00 C ATOM 541 C GLY A 37 8.220 3.224 12.382 1.00 0.00 C ATOM 542 O GLY A 37 7.778 3.946 13.277 1.00 0.00 O ATOM 0 H GLY A 37 9.998 2.656 9.815 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.279 4.833 11.447 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.238 3.933 10.361 1.00 0.00 H new ATOM 546 N GLY A 38 8.086 1.897 12.378 1.00 0.00 N ATOM 547 CA GLY A 38 7.469 1.189 13.494 1.00 0.00 C ATOM 548 C GLY A 38 6.053 1.652 13.799 1.00 0.00 C ATOM 549 O GLY A 38 5.539 1.413 14.892 1.00 0.00 O ATOM 0 H GLY A 38 8.396 1.295 11.616 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.454 0.122 13.273 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.085 1.322 14.383 1.00 0.00 H new ATOM 553 N GLY A 39 5.420 2.305 12.830 1.00 0.00 N ATOM 554 CA GLY A 39 4.077 2.831 13.016 1.00 0.00 C ATOM 555 C GLY A 39 3.928 4.192 12.371 1.00 0.00 C ATOM 556 O GLY A 39 2.836 4.582 11.946 1.00 0.00 O ATOM 0 H GLY A 39 5.818 2.482 11.908 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.351 2.141 12.587 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.857 2.904 14.081 1.00 0.00 H new ATOM 560 N ILE A 40 5.034 4.925 12.309 1.00 0.00 N ATOM 561 CA ILE A 40 5.066 6.215 11.639 1.00 0.00 C ATOM 562 C ILE A 40 5.690 6.049 10.255 1.00 0.00 C ATOM 563 O ILE A 40 6.914 6.023 10.119 1.00 0.00 O ATOM 564 CB ILE A 40 5.863 7.292 12.441 1.00 0.00 C ATOM 565 CG1 ILE A 40 5.348 7.417 13.889 1.00 0.00 C ATOM 566 CG2 ILE A 40 5.784 8.648 11.738 1.00 0.00 C ATOM 567 CD1 ILE A 40 5.731 6.263 14.797 1.00 0.00 C ATOM 0 H ILE A 40 5.925 4.643 12.718 1.00 0.00 H new ATOM 0 HA ILE A 40 4.037 6.566 11.561 1.00 0.00 H new ATOM 0 HB ILE A 40 6.903 6.969 12.481 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.731 8.343 14.318 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.261 7.501 13.868 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.345 9.387 12.310 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.209 8.565 10.738 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.742 8.960 11.665 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.327 6.435 15.795 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.325 5.334 14.396 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.817 6.189 14.853 1.00 0.00 H new ATOM 579 N SER A 41 4.845 5.853 9.248 1.00 0.00 N ATOM 580 CA SER A 41 5.288 5.803 7.858 1.00 0.00 C ATOM 581 C SER A 41 4.158 6.264 6.939 1.00 0.00 C ATOM 582 O SER A 41 3.021 5.805 7.066 1.00 0.00 O ATOM 583 CB SER A 41 5.730 4.380 7.476 1.00 0.00 C ATOM 584 OG SER A 41 6.797 3.926 8.300 1.00 0.00 O ATOM 0 H SER A 41 3.840 5.725 9.370 1.00 0.00 H new ATOM 0 HA SER A 41 6.143 6.469 7.742 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.884 3.699 7.566 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.043 4.363 6.432 1.00 0.00 H new ATOM 0 HG SER A 41 7.053 3.019 8.033 1.00 0.00 H new ATOM 590 N ARG A 42 4.464 7.185 6.028 1.00 0.00 N ATOM 591 CA ARG A 42 3.481 7.652 5.056 1.00 0.00 C ATOM 592 C ARG A 42 3.732 6.973 3.717 1.00 0.00 C ATOM 593 O ARG A 42 4.668 7.325 2.997 1.00 0.00 O ATOM 594 CB ARG A 42 3.531 9.183 4.895 1.00 0.00 C ATOM 595 CG ARG A 42 2.385 9.740 4.049 1.00 0.00 C ATOM 596 CD ARG A 42 2.384 11.268 3.986 1.00 0.00 C ATOM 597 NE ARG A 42 3.443 11.802 3.122 1.00 0.00 N ATOM 598 CZ ARG A 42 3.427 13.024 2.582 1.00 0.00 C ATOM 599 NH1 ARG A 42 2.390 13.829 2.780 1.00 0.00 N ATOM 600 NH2 ARG A 42 4.441 13.433 1.831 1.00 0.00 N ATOM 0 H ARG A 42 5.382 7.621 5.943 1.00 0.00 H new ATOM 0 HA ARG A 42 2.487 7.392 5.419 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.504 9.646 5.881 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.480 9.463 4.438 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.458 9.339 3.038 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.436 9.397 4.460 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.416 11.611 3.621 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.506 11.669 4.992 1.00 0.00 H new ATOM 0 HE ARG A 42 4.243 11.202 2.921 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.602 13.515 3.346 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.382 14.761 2.366 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.235 12.814 1.665 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.427 14.366 1.420 1.00 0.00 H new ATOM 614 N VAL A 43 2.917 5.972 3.405 1.00 0.00 N ATOM 615 CA VAL A 43 3.051 5.252 2.147 1.00 0.00 C ATOM 616 C VAL A 43 2.384 6.041 1.020 1.00 0.00 C ATOM 617 O VAL A 43 1.156 6.151 0.949 1.00 0.00 O ATOM 618 CB VAL A 43 2.474 3.810 2.233 1.00 0.00 C ATOM 619 CG1 VAL A 43 1.032 3.810 2.737 1.00 0.00 C ATOM 620 CG2 VAL A 43 2.583 3.101 0.882 1.00 0.00 C ATOM 0 H VAL A 43 2.160 5.643 4.004 1.00 0.00 H new ATOM 0 HA VAL A 43 4.115 5.153 1.931 1.00 0.00 H new ATOM 0 HB VAL A 43 3.072 3.258 2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.663 2.785 2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.994 4.255 3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.409 4.389 2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.174 2.094 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.023 3.659 0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.630 3.043 0.585 1.00 0.00 H new ATOM 630 N GLY A 44 3.215 6.629 0.170 1.00 0.00 N ATOM 631 CA GLY A 44 2.729 7.418 -0.940 1.00 0.00 C ATOM 632 C GLY A 44 2.816 6.667 -2.251 1.00 0.00 C ATOM 633 O GLY A 44 3.912 6.376 -2.736 1.00 0.00 O ATOM 0 H GLY A 44 4.231 6.571 0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.694 7.705 -0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.308 8.339 -1.011 1.00 0.00 H new ATOM 637 N VAL A 45 1.663 6.334 -2.817 1.00 0.00 N ATOM 638 CA VAL A 45 1.615 5.684 -4.117 1.00 0.00 C ATOM 639 C VAL A 45 1.630 6.735 -5.227 1.00 0.00 C ATOM 640 O VAL A 45 0.671 7.498 -5.406 1.00 0.00 O ATOM 641 CB VAL A 45 0.379 4.749 -4.262 1.00 0.00 C ATOM 642 CG1 VAL A 45 -0.929 5.496 -4.003 1.00 0.00 C ATOM 643 CG2 VAL A 45 0.361 4.083 -5.639 1.00 0.00 C ATOM 0 H VAL A 45 0.750 6.504 -2.395 1.00 0.00 H new ATOM 0 HA VAL A 45 2.501 5.055 -4.205 1.00 0.00 H new ATOM 0 HB VAL A 45 0.466 3.971 -3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.768 4.809 -4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.923 5.901 -2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.030 6.311 -4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.511 3.434 -5.718 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.315 4.849 -6.413 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.267 3.491 -5.768 1.00 0.00 H new ATOM 653 N CYS A 46 2.750 6.800 -5.932 1.00 0.00 N ATOM 654 CA CYS A 46 2.915 7.722 -7.047 1.00 0.00 C ATOM 655 C CYS A 46 2.850 6.963 -8.364 1.00 0.00 C ATOM 656 O CYS A 46 3.289 5.813 -8.449 1.00 0.00 O ATOM 657 CB CYS A 46 4.250 8.466 -6.920 1.00 0.00 C ATOM 658 SG CYS A 46 5.683 7.390 -6.700 1.00 0.00 S ATOM 0 H CYS A 46 3.567 6.218 -5.749 1.00 0.00 H new ATOM 0 HA CYS A 46 2.107 8.453 -7.028 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.400 9.073 -7.812 1.00 0.00 H new ATOM 0 HB3 CYS A 46 4.192 9.151 -6.074 1.00 0.00 H new ATOM 0 HG CYS A 46 6.759 8.114 -6.605 1.00 0.00 H new ATOM 664 N LYS A 47 2.291 7.598 -9.386 1.00 0.00 N ATOM 665 CA LYS A 47 2.185 6.978 -10.701 1.00 0.00 C ATOM 666 C LYS A 47 3.287 7.525 -11.599 1.00 0.00 C ATOM 667 O LYS A 47 3.234 8.676 -12.038 1.00 0.00 O ATOM 668 CB LYS A 47 0.792 7.231 -11.310 1.00 0.00 C ATOM 669 CG LYS A 47 0.421 6.289 -12.461 1.00 0.00 C ATOM 670 CD LYS A 47 1.023 6.711 -13.803 1.00 0.00 C ATOM 671 CE LYS A 47 0.663 5.720 -14.909 1.00 0.00 C ATOM 672 NZ LYS A 47 1.040 6.219 -16.257 1.00 0.00 N ATOM 0 H LYS A 47 1.905 8.540 -9.330 1.00 0.00 H new ATOM 0 HA LYS A 47 2.307 5.899 -10.607 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.043 7.136 -10.524 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.748 8.259 -11.670 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.758 5.281 -12.220 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.664 6.249 -12.554 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.662 7.704 -14.070 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.107 6.780 -13.712 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.166 4.771 -14.721 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.409 5.524 -14.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.839 5.486 -16.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.491 7.074 -16.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.055 6.446 -16.272 1.00 0.00 H new ATOM 686 N VAL A 48 4.298 6.699 -11.840 1.00 0.00 N ATOM 687 CA VAL A 48 5.433 7.088 -12.665 1.00 0.00 C ATOM 688 C VAL A 48 4.992 7.286 -14.114 1.00 0.00 C ATOM 689 O VAL A 48 4.379 6.396 -14.712 1.00 0.00 O ATOM 690 CB VAL A 48 6.561 6.029 -12.603 1.00 0.00 C ATOM 691 CG1 VAL A 48 7.766 6.452 -13.446 1.00 0.00 C ATOM 692 CG2 VAL A 48 6.974 5.771 -11.152 1.00 0.00 C ATOM 0 H VAL A 48 4.354 5.749 -11.472 1.00 0.00 H new ATOM 0 HA VAL A 48 5.822 8.028 -12.274 1.00 0.00 H new ATOM 0 HB VAL A 48 6.175 5.100 -13.022 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.541 5.688 -13.382 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.459 6.572 -14.485 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.157 7.398 -13.072 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.768 5.024 -11.127 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.334 6.698 -10.706 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.115 5.407 -10.589 1.00 0.00 H new ATOM 702 N MET A 49 5.288 8.458 -14.661 1.00 0.00 N ATOM 703 CA MET A 49 4.941 8.776 -16.041 1.00 0.00 C ATOM 704 C MET A 49 6.043 8.306 -16.982 1.00 0.00 C ATOM 705 O MET A 49 7.220 8.301 -16.615 1.00 0.00 O ATOM 706 CB MET A 49 4.716 10.285 -16.204 1.00 0.00 C ATOM 707 CG MET A 49 3.573 10.831 -15.360 1.00 0.00 C ATOM 708 SD MET A 49 3.355 12.611 -15.558 1.00 0.00 S ATOM 709 CE MET A 49 1.964 12.911 -14.468 1.00 0.00 C ATOM 0 H MET A 49 5.771 9.209 -14.167 1.00 0.00 H new ATOM 0 HA MET A 49 4.016 8.257 -16.294 1.00 0.00 H new ATOM 0 HB2 MET A 49 5.634 10.810 -15.939 1.00 0.00 H new ATOM 0 HB3 MET A 49 4.516 10.502 -17.253 1.00 0.00 H new ATOM 0 HG2 MET A 49 2.649 10.323 -15.634 1.00 0.00 H new ATOM 0 HG3 MET A 49 3.761 10.606 -14.310 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.711 13.971 -14.484 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.106 12.328 -14.804 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.227 12.616 -13.452 1.00 0.00 H new ATOM 719 N HIS A 50 5.660 7.902 -18.187 1.00 0.00 N ATOM 720 CA HIS A 50 6.622 7.430 -19.177 1.00 0.00 C ATOM 721 C HIS A 50 7.200 8.605 -19.965 1.00 0.00 C ATOM 722 O HIS A 50 6.463 9.497 -20.386 1.00 0.00 O ATOM 723 CB HIS A 50 5.969 6.432 -20.147 1.00 0.00 C ATOM 724 CG HIS A 50 4.870 7.024 -20.983 1.00 0.00 C ATOM 725 ND1 HIS A 50 5.071 7.606 -22.215 1.00 0.00 N ATOM 726 CD2 HIS A 50 3.539 7.121 -20.738 1.00 0.00 C ATOM 727 CE1 HIS A 50 3.887 8.031 -22.668 1.00 0.00 C ATOM 728 NE2 HIS A 50 2.921 7.759 -21.811 1.00 0.00 N ATOM 0 H HIS A 50 4.690 7.891 -18.503 1.00 0.00 H new ATOM 0 HA HIS A 50 7.427 6.925 -18.643 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.736 6.027 -20.807 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.567 5.596 -19.576 1.00 0.00 H new ATOM 0 HD2 HIS A 50 3.038 6.761 -19.852 1.00 0.00 H new ATOM 0 HE1 HIS A 50 3.740 8.532 -23.613 1.00 0.00 H new ATOM 0 HE2 HIS A 50 1.929 7.972 -21.913 1.00 0.00 H new ATOM 736 N PRO A 51 8.530 8.637 -20.150 1.00 0.00 N ATOM 737 CA PRO A 51 9.170 9.598 -21.048 1.00 0.00 C ATOM 738 C PRO A 51 9.038 9.146 -22.502 1.00 0.00 C ATOM 739 O PRO A 51 8.523 8.052 -22.772 1.00 0.00 O ATOM 740 CB PRO A 51 10.631 9.577 -20.591 1.00 0.00 C ATOM 741 CG PRO A 51 10.840 8.190 -20.075 1.00 0.00 C ATOM 742 CD PRO A 51 9.518 7.755 -19.489 1.00 0.00 C ATOM 0 HA PRO A 51 8.727 10.593 -21.008 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.308 9.800 -21.415 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.816 10.321 -19.816 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.150 7.519 -20.876 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.626 8.170 -19.320 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.316 6.704 -19.695 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.501 7.877 -18.406 1.00 0.00 H new ATOM 750 N GLU A 52 9.487 9.976 -23.438 1.00 0.00 N ATOM 751 CA GLU A 52 9.436 9.616 -24.851 1.00 0.00 C ATOM 752 C GLU A 52 10.363 8.428 -25.127 1.00 0.00 C ATOM 753 O GLU A 52 11.497 8.378 -24.636 1.00 0.00 O ATOM 754 CB GLU A 52 9.804 10.813 -25.737 1.00 0.00 C ATOM 755 CG GLU A 52 11.217 11.342 -25.529 1.00 0.00 C ATOM 756 CD GLU A 52 11.571 12.449 -26.509 1.00 0.00 C ATOM 757 OE1 GLU A 52 11.689 12.157 -27.720 1.00 0.00 O ATOM 758 OE2 GLU A 52 11.730 13.610 -26.078 1.00 0.00 O ATOM 0 H GLU A 52 9.887 10.895 -23.247 1.00 0.00 H new ATOM 0 HA GLU A 52 8.415 9.324 -25.096 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.688 10.525 -26.782 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.096 11.620 -25.548 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.315 11.717 -24.510 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.928 10.523 -25.637 1.00 0.00 H new ATOM 765 N GLY A 53 9.865 7.467 -25.894 1.00 0.00 N ATOM 766 CA GLY A 53 10.606 6.248 -26.168 1.00 0.00 C ATOM 767 C GLY A 53 9.762 5.023 -25.889 1.00 0.00 C ATOM 768 O GLY A 53 8.536 5.083 -25.998 1.00 0.00 O ATOM 0 H GLY A 53 8.948 7.511 -26.338 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.929 6.241 -27.209 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.507 6.220 -25.554 1.00 0.00 H new ATOM 772 N ASN A 54 10.405 3.923 -25.508 1.00 0.00 N ATOM 773 CA ASN A 54 9.699 2.673 -25.217 1.00 0.00 C ATOM 774 C ASN A 54 8.667 2.871 -24.107 1.00 0.00 C ATOM 775 O ASN A 54 7.463 2.722 -24.328 1.00 0.00 O ATOM 776 CB ASN A 54 10.693 1.577 -24.810 1.00 0.00 C ATOM 777 CG ASN A 54 10.010 0.254 -24.503 1.00 0.00 C ATOM 778 OD1 ASN A 54 9.631 -0.015 -23.360 1.00 0.00 O ATOM 779 ND2 ASN A 54 9.854 -0.582 -25.517 1.00 0.00 N ATOM 0 H ASN A 54 11.417 3.869 -25.392 1.00 0.00 H new ATOM 0 HA ASN A 54 9.179 2.366 -26.124 1.00 0.00 H new ATOM 0 HB2 ASN A 54 11.416 1.431 -25.613 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.252 1.905 -23.934 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.406 -1.486 -25.368 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.181 -0.322 -26.447 1.00 0.00 H new ATOM 786 N GLY A 55 9.152 3.209 -22.916 1.00 0.00 N ATOM 787 CA GLY A 55 8.274 3.425 -21.782 1.00 0.00 C ATOM 788 C GLY A 55 8.942 3.067 -20.469 1.00 0.00 C ATOM 789 O GLY A 55 9.910 2.302 -20.447 1.00 0.00 O ATOM 0 H GLY A 55 10.144 3.338 -22.716 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.964 4.470 -21.758 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.371 2.827 -21.904 1.00 0.00 H new ATOM 793 N ARG A 56 8.426 3.625 -19.380 1.00 0.00 N ATOM 794 CA ARG A 56 8.952 3.368 -18.040 1.00 0.00 C ATOM 795 C ARG A 56 7.921 3.821 -17.004 1.00 0.00 C ATOM 796 O ARG A 56 8.255 4.189 -15.876 1.00 0.00 O ATOM 797 CB ARG A 56 10.294 4.102 -17.852 1.00 0.00 C ATOM 798 CG ARG A 56 11.057 3.704 -16.588 1.00 0.00 C ATOM 799 CD ARG A 56 12.432 4.359 -16.528 1.00 0.00 C ATOM 800 NE ARG A 56 13.164 3.981 -15.314 1.00 0.00 N ATOM 801 CZ ARG A 56 14.473 3.726 -15.275 1.00 0.00 C ATOM 802 NH1 ARG A 56 15.199 3.777 -16.384 1.00 0.00 N ATOM 803 NH2 ARG A 56 15.057 3.418 -14.122 1.00 0.00 N ATOM 0 H ARG A 56 7.633 4.267 -19.398 1.00 0.00 H new ATOM 0 HA ARG A 56 9.135 2.302 -17.908 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.925 3.909 -18.719 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.107 5.176 -17.827 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.479 3.990 -15.709 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.169 2.620 -16.557 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.010 4.071 -17.406 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.320 5.443 -16.562 1.00 0.00 H new ATOM 0 HE ARG A 56 12.638 3.908 -14.443 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.757 4.012 -17.273 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.199 3.581 -16.348 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.505 3.376 -13.266 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.058 3.223 -14.093 1.00 0.00 H new ATOM 817 N SER A 57 6.653 3.759 -17.399 1.00 0.00 N ATOM 818 CA SER A 57 5.549 4.212 -16.562 1.00 0.00 C ATOM 819 C SER A 57 5.030 3.084 -15.671 1.00 0.00 C ATOM 820 O SER A 57 5.158 1.905 -16.006 1.00 0.00 O ATOM 821 CB SER A 57 4.420 4.746 -17.446 1.00 0.00 C ATOM 822 OG SER A 57 4.071 3.808 -18.457 1.00 0.00 O ATOM 0 H SER A 57 6.363 3.394 -18.306 1.00 0.00 H new ATOM 0 HA SER A 57 5.913 5.009 -15.914 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.546 4.965 -16.832 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.728 5.684 -17.907 1.00 0.00 H new ATOM 0 HG SER A 57 3.346 4.174 -19.006 1.00 0.00 H new ATOM 828 N GLY A 58 4.435 3.460 -14.548 1.00 0.00 N ATOM 829 CA GLY A 58 3.893 2.491 -13.615 1.00 0.00 C ATOM 830 C GLY A 58 3.559 3.134 -12.290 1.00 0.00 C ATOM 831 O GLY A 58 3.099 4.276 -12.254 1.00 0.00 O ATOM 0 H GLY A 58 4.317 4.432 -14.263 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.997 2.037 -14.038 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.614 1.688 -13.461 1.00 0.00 H new ATOM 835 N PHE A 59 3.798 2.416 -11.202 1.00 0.00 N ATOM 836 CA PHE A 59 3.560 2.940 -9.862 1.00 0.00 C ATOM 837 C PHE A 59 4.803 2.726 -9.005 1.00 0.00 C ATOM 838 O PHE A 59 5.601 1.824 -9.271 1.00 0.00 O ATOM 839 CB PHE A 59 2.348 2.254 -9.209 1.00 0.00 C ATOM 840 CG PHE A 59 1.038 2.476 -9.932 1.00 0.00 C ATOM 841 CD1 PHE A 59 0.256 3.590 -9.659 1.00 0.00 C ATOM 842 CD2 PHE A 59 0.583 1.562 -10.876 1.00 0.00 C ATOM 843 CE1 PHE A 59 -0.947 3.790 -10.313 1.00 0.00 C ATOM 844 CE2 PHE A 59 -0.619 1.761 -11.530 1.00 0.00 C ATOM 845 CZ PHE A 59 -1.385 2.873 -11.248 1.00 0.00 C ATOM 0 H PHE A 59 4.159 1.462 -11.220 1.00 0.00 H new ATOM 0 HA PHE A 59 3.345 4.006 -9.938 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.540 1.183 -9.152 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.250 2.615 -8.185 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.591 4.310 -8.927 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.175 0.687 -11.101 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.543 4.663 -10.092 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.959 1.044 -12.263 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.325 3.026 -11.757 1.00 0.00 H new ATOM 855 N LEU A 60 4.972 3.558 -7.988 1.00 0.00 N ATOM 856 CA LEU A 60 6.109 3.437 -7.085 1.00 0.00 C ATOM 857 C LEU A 60 5.605 3.412 -5.644 1.00 0.00 C ATOM 858 O LEU A 60 4.955 4.357 -5.188 1.00 0.00 O ATOM 859 CB LEU A 60 7.091 4.607 -7.301 1.00 0.00 C ATOM 860 CG LEU A 60 8.568 4.340 -6.937 1.00 0.00 C ATOM 861 CD1 LEU A 60 9.446 5.519 -7.354 1.00 0.00 C ATOM 862 CD2 LEU A 60 8.732 4.060 -5.443 1.00 0.00 C ATOM 0 H LEU A 60 4.337 4.325 -7.767 1.00 0.00 H new ATOM 0 HA LEU A 60 6.642 2.509 -7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.045 4.902 -8.349 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.743 5.458 -6.715 1.00 0.00 H new ATOM 0 HG LEU A 60 8.888 3.453 -7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.483 5.312 -7.089 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.369 5.667 -8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.113 6.420 -6.839 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.783 3.876 -5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.385 4.921 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.145 3.183 -5.171 1.00 0.00 H new ATOM 874 N ILE A 61 5.882 2.315 -4.946 1.00 0.00 N ATOM 875 CA ILE A 61 5.547 2.199 -3.535 1.00 0.00 C ATOM 876 C ILE A 61 6.606 2.925 -2.712 1.00 0.00 C ATOM 877 O ILE A 61 7.614 2.336 -2.306 1.00 0.00 O ATOM 878 CB ILE A 61 5.447 0.716 -3.080 1.00 0.00 C ATOM 879 CG1 ILE A 61 4.431 -0.043 -3.956 1.00 0.00 C ATOM 880 CG2 ILE A 61 5.063 0.627 -1.602 1.00 0.00 C ATOM 881 CD1 ILE A 61 4.291 -1.512 -3.604 1.00 0.00 C ATOM 0 H ILE A 61 6.339 1.492 -5.338 1.00 0.00 H new ATOM 0 HA ILE A 61 4.568 2.652 -3.379 1.00 0.00 H new ATOM 0 HB ILE A 61 6.425 0.250 -3.202 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.457 0.437 -3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.731 0.043 -5.000 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.999 -0.420 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.819 1.129 -0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.097 1.108 -1.447 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.558 -1.976 -4.264 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.254 -2.008 -3.724 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.960 -1.608 -2.570 1.00 0.00 H new ATOM 893 N HIS A 62 6.399 4.220 -2.529 1.00 0.00 N ATOM 894 CA HIS A 62 7.352 5.068 -1.829 1.00 0.00 C ATOM 895 C HIS A 62 6.908 5.268 -0.383 1.00 0.00 C ATOM 896 O HIS A 62 5.926 5.960 -0.108 1.00 0.00 O ATOM 897 CB HIS A 62 7.473 6.407 -2.566 1.00 0.00 C ATOM 898 CG HIS A 62 8.446 7.375 -1.962 1.00 0.00 C ATOM 899 ND1 HIS A 62 9.706 7.620 -2.466 1.00 0.00 N ATOM 900 CD2 HIS A 62 8.299 8.210 -0.906 1.00 0.00 C ATOM 901 CE1 HIS A 62 10.265 8.579 -1.720 1.00 0.00 C ATOM 902 NE2 HIS A 62 9.453 8.970 -0.759 1.00 0.00 N ATOM 0 H HIS A 62 5.569 4.712 -2.860 1.00 0.00 H new ATOM 0 HA HIS A 62 8.332 4.591 -1.813 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.769 6.212 -3.597 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.490 6.876 -2.600 1.00 0.00 H new ATOM 0 HD1 HIS A 62 10.135 7.153 -3.265 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.423 8.275 -0.277 1.00 0.00 H new ATOM 0 HE1 HIS A 62 11.254 8.981 -1.884 1.00 0.00 H new ATOM 910 N GLY A 63 7.624 4.630 0.535 1.00 0.00 N ATOM 911 CA GLY A 63 7.294 4.702 1.945 1.00 0.00 C ATOM 912 C GLY A 63 8.115 5.742 2.680 1.00 0.00 C ATOM 913 O GLY A 63 9.273 5.493 3.042 1.00 0.00 O ATOM 0 H GLY A 63 8.440 4.056 0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.235 4.935 2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.455 3.726 2.403 1.00 0.00 H new ATOM 917 N GLU A 64 7.523 6.914 2.893 1.00 0.00 N ATOM 918 CA GLU A 64 8.157 7.975 3.667 1.00 0.00 C ATOM 919 C GLU A 64 8.151 7.619 5.146 1.00 0.00 C ATOM 920 O GLU A 64 7.266 6.895 5.610 1.00 0.00 O ATOM 921 CB GLU A 64 7.411 9.297 3.469 1.00 0.00 C ATOM 922 CG GLU A 64 7.385 9.789 2.030 1.00 0.00 C ATOM 923 CD GLU A 64 6.571 11.062 1.872 1.00 0.00 C ATOM 924 OE1 GLU A 64 7.033 12.132 2.328 1.00 0.00 O ATOM 925 OE2 GLU A 64 5.460 10.997 1.314 1.00 0.00 O ATOM 0 H GLU A 64 6.598 7.153 2.537 1.00 0.00 H new ATOM 0 HA GLU A 64 9.185 8.084 3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.386 9.179 3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.875 10.060 4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.405 9.968 1.691 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.968 9.012 1.390 1.00 0.00 H new ATOM 932 N ARG A 65 9.126 8.130 5.889 1.00 0.00 N ATOM 933 CA ARG A 65 9.141 7.947 7.333 1.00 0.00 C ATOM 934 C ARG A 65 7.976 8.712 7.954 1.00 0.00 C ATOM 935 O ARG A 65 7.421 8.301 8.965 1.00 0.00 O ATOM 936 CB ARG A 65 10.465 8.427 7.945 1.00 0.00 C ATOM 937 CG ARG A 65 10.641 8.002 9.402 1.00 0.00 C ATOM 938 CD ARG A 65 11.914 8.564 10.020 1.00 0.00 C ATOM 939 NE ARG A 65 12.179 7.989 11.341 1.00 0.00 N ATOM 940 CZ ARG A 65 11.654 8.438 12.481 1.00 0.00 C ATOM 941 NH1 ARG A 65 10.813 9.467 12.481 1.00 0.00 N ATOM 942 NH2 ARG A 65 11.966 7.850 13.629 1.00 0.00 N ATOM 0 H ARG A 65 9.909 8.669 5.519 1.00 0.00 H new ATOM 0 HA ARG A 65 9.041 6.882 7.544 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.294 8.035 7.356 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.515 9.514 7.881 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.781 8.336 9.982 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.662 6.914 9.460 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.758 8.362 9.360 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.828 9.647 10.106 1.00 0.00 H new ATOM 0 HE ARG A 65 12.810 7.189 11.392 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.563 9.922 11.603 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.417 9.802 13.359 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.606 7.056 13.638 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.565 8.192 14.503 1.00 0.00 H new ATOM 956 N GLN A 66 7.612 9.834 7.330 1.00 0.00 N ATOM 957 CA GLN A 66 6.491 10.648 7.793 1.00 0.00 C ATOM 958 C GLN A 66 6.103 11.702 6.751 1.00 0.00 C ATOM 959 O GLN A 66 4.973 11.683 6.260 1.00 0.00 O ATOM 960 CB GLN A 66 6.790 11.276 9.169 1.00 0.00 C ATOM 961 CG GLN A 66 8.240 11.707 9.374 1.00 0.00 C ATOM 962 CD GLN A 66 8.616 11.818 10.845 1.00 0.00 C ATOM 963 OE1 GLN A 66 9.761 11.560 11.225 1.00 0.00 O ATOM 964 NE2 GLN A 66 7.667 12.215 11.680 1.00 0.00 N ATOM 0 H GLN A 66 8.080 10.199 6.500 1.00 0.00 H new ATOM 0 HA GLN A 66 5.629 9.993 7.920 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.145 12.144 9.304 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.526 10.558 9.946 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.901 10.990 8.887 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.401 12.669 8.888 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.731 12.419 11.329 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.872 12.316 12.674 1.00 0.00 H new ATOM 973 N LYS A 67 7.025 12.610 6.408 1.00 0.00 N ATOM 974 CA LYS A 67 6.764 13.598 5.353 1.00 0.00 C ATOM 975 C LYS A 67 8.014 14.430 5.036 1.00 0.00 C ATOM 976 O LYS A 67 8.599 15.043 5.933 1.00 0.00 O ATOM 977 CB LYS A 67 5.613 14.539 5.763 1.00 0.00 C ATOM 978 CG LYS A 67 5.096 15.401 4.615 1.00 0.00 C ATOM 979 CD LYS A 67 4.074 16.434 5.084 1.00 0.00 C ATOM 980 CE LYS A 67 3.524 17.256 3.919 1.00 0.00 C ATOM 981 NZ LYS A 67 4.605 17.924 3.141 1.00 0.00 N ATOM 0 H LYS A 67 7.947 12.682 6.839 1.00 0.00 H new ATOM 0 HA LYS A 67 6.481 13.045 4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.791 13.943 6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.954 15.188 6.570 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.934 15.911 4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.642 14.761 3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.253 15.928 5.592 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.538 17.100 5.812 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.951 16.607 3.257 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.835 18.009 4.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.322 18.900 2.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.480 17.936 3.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.769 17.403 2.256 1.00 0.00 H new ATOM 995 N ASP A 68 8.417 14.428 3.759 1.00 0.00 N ATOM 996 CA ASP A 68 9.521 15.271 3.246 1.00 0.00 C ATOM 997 C ASP A 68 10.834 15.012 3.990 1.00 0.00 C ATOM 998 O ASP A 68 11.782 15.795 3.873 1.00 0.00 O ATOM 999 CB ASP A 68 9.206 16.779 3.369 1.00 0.00 C ATOM 1000 CG ASP A 68 7.774 17.160 3.029 1.00 0.00 C ATOM 1001 OD1 ASP A 68 7.319 16.895 1.901 1.00 0.00 O ATOM 1002 OD2 ASP A 68 7.096 17.745 3.902 1.00 0.00 O ATOM 0 H ASP A 68 7.988 13.841 3.044 1.00 0.00 H new ATOM 0 HA ASP A 68 9.627 14.998 2.196 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.420 17.099 4.389 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.880 17.331 2.714 1.00 0.00 H new ATOM 1007 N LYS A 69 10.902 13.922 4.736 1.00 0.00 N ATOM 1008 CA LYS A 69 11.989 13.721 5.692 1.00 0.00 C ATOM 1009 C LYS A 69 12.985 12.668 5.207 1.00 0.00 C ATOM 1010 O LYS A 69 14.119 12.994 4.852 1.00 0.00 O ATOM 1011 CB LYS A 69 11.403 13.329 7.052 1.00 0.00 C ATOM 1012 CG LYS A 69 12.411 13.316 8.195 1.00 0.00 C ATOM 1013 CD LYS A 69 11.710 13.138 9.539 1.00 0.00 C ATOM 1014 CE LYS A 69 12.681 13.151 10.712 1.00 0.00 C ATOM 1015 NZ LYS A 69 11.972 12.999 12.010 1.00 0.00 N ATOM 0 H LYS A 69 10.222 13.162 4.702 1.00 0.00 H new ATOM 0 HA LYS A 69 12.539 14.657 5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.600 14.023 7.301 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.955 12.339 6.968 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.127 12.508 8.044 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.977 14.248 8.196 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.977 13.934 9.670 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.161 12.196 9.537 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.405 12.344 10.595 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.242 14.085 10.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.652 12.725 12.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.525 13.902 12.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.242 12.264 11.923 1.00 0.00 H new ATOM 1029 N LEU A 70 12.554 11.412 5.183 1.00 0.00 N ATOM 1030 CA LEU A 70 13.438 10.302 4.842 1.00 0.00 C ATOM 1031 C LEU A 70 12.652 9.184 4.167 1.00 0.00 C ATOM 1032 O LEU A 70 11.535 8.861 4.588 1.00 0.00 O ATOM 1033 CB LEU A 70 14.123 9.764 6.107 1.00 0.00 C ATOM 1034 CG LEU A 70 15.131 8.621 5.884 1.00 0.00 C ATOM 1035 CD1 LEU A 70 16.353 9.114 5.112 1.00 0.00 C ATOM 1036 CD2 LEU A 70 15.548 7.996 7.215 1.00 0.00 C ATOM 0 H LEU A 70 11.596 11.136 5.396 1.00 0.00 H new ATOM 0 HA LEU A 70 14.198 10.666 4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.639 10.589 6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.353 9.416 6.795 1.00 0.00 H new ATOM 0 HG LEU A 70 14.641 7.853 5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.050 8.288 4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 70 16.039 9.498 4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.843 9.908 5.675 1.00 0.00 H new ATOM 0 HD21 LEU A 70 16.260 7.191 7.032 1.00 0.00 H new ATOM 0 HD22 LEU A 70 16.013 8.755 7.844 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.669 7.595 7.720 1.00 0.00 H new ATOM 1048 N VAL A 71 13.232 8.607 3.122 1.00 0.00 N ATOM 1049 CA VAL A 71 12.637 7.471 2.431 1.00 0.00 C ATOM 1050 C VAL A 71 13.099 6.177 3.101 1.00 0.00 C ATOM 1051 O VAL A 71 14.233 5.735 2.899 1.00 0.00 O ATOM 1052 CB VAL A 71 13.037 7.448 0.937 1.00 0.00 C ATOM 1053 CG1 VAL A 71 12.252 6.378 0.177 1.00 0.00 C ATOM 1054 CG2 VAL A 71 12.852 8.827 0.305 1.00 0.00 C ATOM 0 H VAL A 71 14.124 8.912 2.731 1.00 0.00 H new ATOM 0 HA VAL A 71 11.552 7.562 2.491 1.00 0.00 H new ATOM 0 HB VAL A 71 14.094 7.190 0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.552 6.382 -0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 71 12.459 5.399 0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.185 6.589 0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.139 8.787 -0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.807 9.126 0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.478 9.552 0.825 1.00 0.00 H new ATOM 1064 N VAL A 72 12.233 5.584 3.916 1.00 0.00 N ATOM 1065 CA VAL A 72 12.595 4.388 4.678 1.00 0.00 C ATOM 1066 C VAL A 72 12.326 3.117 3.878 1.00 0.00 C ATOM 1067 O VAL A 72 12.897 2.062 4.164 1.00 0.00 O ATOM 1068 CB VAL A 72 11.844 4.318 6.032 1.00 0.00 C ATOM 1069 CG1 VAL A 72 12.261 5.474 6.941 1.00 0.00 C ATOM 1070 CG2 VAL A 72 10.328 4.307 5.823 1.00 0.00 C ATOM 0 H VAL A 72 11.278 5.908 4.068 1.00 0.00 H new ATOM 0 HA VAL A 72 13.664 4.460 4.880 1.00 0.00 H new ATOM 0 HB VAL A 72 12.119 3.383 6.521 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.722 5.406 7.886 1.00 0.00 H new ATOM 0 HG12 VAL A 72 13.333 5.420 7.130 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.025 6.421 6.456 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.828 4.257 6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.026 5.217 5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.049 3.439 5.226 1.00 0.00 H new ATOM 1080 N LEU A 73 11.458 3.223 2.879 1.00 0.00 N ATOM 1081 CA LEU A 73 11.114 2.094 2.021 1.00 0.00 C ATOM 1082 C LEU A 73 10.765 2.627 0.637 1.00 0.00 C ATOM 1083 O LEU A 73 10.137 3.676 0.522 1.00 0.00 O ATOM 1084 CB LEU A 73 9.937 1.310 2.639 1.00 0.00 C ATOM 1085 CG LEU A 73 9.647 -0.096 2.064 1.00 0.00 C ATOM 1086 CD1 LEU A 73 8.960 -0.028 0.702 1.00 0.00 C ATOM 1087 CD2 LEU A 73 10.931 -0.921 1.983 1.00 0.00 C ATOM 0 H LEU A 73 10.975 4.089 2.641 1.00 0.00 H new ATOM 0 HA LEU A 73 11.956 1.408 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.124 1.206 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.035 1.912 2.530 1.00 0.00 H new ATOM 0 HG LEU A 73 8.957 -0.590 2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.776 -1.038 0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.012 0.501 0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.601 0.501 -0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.705 -1.907 1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.648 -0.416 1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.357 -1.029 2.980 1.00 0.00 H new ATOM 1099 N GLU A 74 11.187 1.920 -0.403 1.00 0.00 N ATOM 1100 CA GLU A 74 10.953 2.355 -1.773 1.00 0.00 C ATOM 1101 C GLU A 74 11.061 1.163 -2.726 1.00 0.00 C ATOM 1102 O GLU A 74 12.106 0.510 -2.798 1.00 0.00 O ATOM 1103 CB GLU A 74 11.965 3.455 -2.136 1.00 0.00 C ATOM 1104 CG GLU A 74 11.743 4.096 -3.499 1.00 0.00 C ATOM 1105 CD GLU A 74 12.573 5.359 -3.690 1.00 0.00 C ATOM 1106 OE1 GLU A 74 13.823 5.266 -3.657 1.00 0.00 O ATOM 1107 OE2 GLU A 74 11.984 6.446 -3.867 1.00 0.00 O ATOM 0 H GLU A 74 11.695 1.039 -0.323 1.00 0.00 H new ATOM 0 HA GLU A 74 9.947 2.765 -1.866 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.926 4.232 -1.373 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.969 3.031 -2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.994 3.378 -4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.687 4.338 -3.616 1.00 0.00 H new ATOM 1114 N CYS A 75 9.972 0.877 -3.440 1.00 0.00 N ATOM 1115 CA CYS A 75 9.903 -0.268 -4.341 1.00 0.00 C ATOM 1116 C CYS A 75 9.112 0.110 -5.590 1.00 0.00 C ATOM 1117 O CYS A 75 8.079 0.775 -5.497 1.00 0.00 O ATOM 1118 CB CYS A 75 9.239 -1.455 -3.634 1.00 0.00 C ATOM 1119 SG CYS A 75 10.079 -1.965 -2.116 1.00 0.00 S ATOM 0 H CYS A 75 9.117 1.432 -3.409 1.00 0.00 H new ATOM 0 HA CYS A 75 10.913 -0.557 -4.632 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.208 -1.194 -3.397 1.00 0.00 H new ATOM 0 HB3 CYS A 75 9.204 -2.301 -4.320 1.00 0.00 H new ATOM 0 HG CYS A 75 10.112 -3.263 -2.053 1.00 0.00 H new ATOM 1125 N TYR A 76 9.592 -0.314 -6.750 1.00 0.00 N ATOM 1126 CA TYR A 76 8.971 0.050 -8.019 1.00 0.00 C ATOM 1127 C TYR A 76 8.089 -1.092 -8.522 1.00 0.00 C ATOM 1128 O TYR A 76 8.466 -2.262 -8.427 1.00 0.00 O ATOM 1129 CB TYR A 76 10.061 0.390 -9.047 1.00 0.00 C ATOM 1130 CG TYR A 76 9.535 0.845 -10.398 1.00 0.00 C ATOM 1131 CD1 TYR A 76 9.005 2.120 -10.569 1.00 0.00 C ATOM 1132 CD2 TYR A 76 9.577 0.001 -11.505 1.00 0.00 C ATOM 1133 CE1 TYR A 76 8.532 2.538 -11.800 1.00 0.00 C ATOM 1134 CE2 TYR A 76 9.107 0.415 -12.738 1.00 0.00 C ATOM 1135 CZ TYR A 76 8.586 1.681 -12.880 1.00 0.00 C ATOM 1136 OH TYR A 76 8.114 2.093 -14.109 1.00 0.00 O ATOM 0 H TYR A 76 10.413 -0.913 -6.840 1.00 0.00 H new ATOM 0 HA TYR A 76 8.340 0.927 -7.874 1.00 0.00 H new ATOM 0 HB2 TYR A 76 10.697 1.174 -8.637 1.00 0.00 H new ATOM 0 HB3 TYR A 76 10.691 -0.488 -9.194 1.00 0.00 H new ATOM 0 HD1 TYR A 76 8.962 2.795 -9.727 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.984 -0.994 -11.399 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.122 3.531 -11.915 1.00 0.00 H new ATOM 0 HE2 TYR A 76 9.149 -0.252 -13.586 1.00 0.00 H new ATOM 0 HH TYR A 76 8.464 2.986 -14.311 1.00 0.00 H new ATOM 1146 N VAL A 77 6.916 -0.758 -9.057 1.00 0.00 N ATOM 1147 CA VAL A 77 5.978 -1.763 -9.546 1.00 0.00 C ATOM 1148 C VAL A 77 5.421 -1.344 -10.906 1.00 0.00 C ATOM 1149 O VAL A 77 5.167 -0.162 -11.147 1.00 0.00 O ATOM 1150 CB VAL A 77 4.809 -2.000 -8.549 1.00 0.00 C ATOM 1151 CG1 VAL A 77 5.341 -2.399 -7.172 1.00 0.00 C ATOM 1152 CG2 VAL A 77 3.912 -0.772 -8.437 1.00 0.00 C ATOM 0 H VAL A 77 6.593 0.204 -9.162 1.00 0.00 H new ATOM 0 HA VAL A 77 6.526 -2.700 -9.646 1.00 0.00 H new ATOM 0 HB VAL A 77 4.207 -2.820 -8.940 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.505 -2.559 -6.491 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.920 -3.318 -7.258 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.978 -1.604 -6.784 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.106 -0.973 -7.732 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.499 0.076 -8.085 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.489 -0.540 -9.415 1.00 0.00 H new ATOM 1162 N ARG A 78 5.255 -2.310 -11.799 1.00 0.00 N ATOM 1163 CA ARG A 78 4.769 -2.031 -13.146 1.00 0.00 C ATOM 1164 C ARG A 78 3.353 -2.589 -13.320 1.00 0.00 C ATOM 1165 O ARG A 78 2.376 -1.840 -13.345 1.00 0.00 O ATOM 1166 CB ARG A 78 5.731 -2.648 -14.174 1.00 0.00 C ATOM 1167 CG ARG A 78 7.157 -2.107 -14.080 1.00 0.00 C ATOM 1168 CD ARG A 78 8.189 -3.156 -14.477 1.00 0.00 C ATOM 1169 NE ARG A 78 8.205 -4.287 -13.540 1.00 0.00 N ATOM 1170 CZ ARG A 78 9.183 -5.195 -13.470 1.00 0.00 C ATOM 1171 NH1 ARG A 78 10.221 -5.131 -14.297 1.00 0.00 N ATOM 1172 NH2 ARG A 78 9.120 -6.174 -12.573 1.00 0.00 N ATOM 0 H ARG A 78 5.449 -3.294 -11.616 1.00 0.00 H new ATOM 0 HA ARG A 78 4.730 -0.953 -13.305 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.752 -3.729 -14.036 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.346 -2.462 -15.177 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.258 -1.235 -14.726 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.352 -1.773 -13.061 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.971 -3.519 -15.481 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.178 -2.698 -14.511 1.00 0.00 H new ATOM 0 HE ARG A 78 7.417 -4.386 -12.900 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.275 -4.385 -14.991 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.964 -5.827 -14.238 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.325 -6.233 -11.937 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.867 -6.866 -12.521 1.00 0.00 H new ATOM 1186 N LYS A 79 3.258 -3.912 -13.421 1.00 0.00 N ATOM 1187 CA LYS A 79 1.979 -4.616 -13.499 1.00 0.00 C ATOM 1188 C LYS A 79 2.179 -6.023 -12.935 1.00 0.00 C ATOM 1189 O LYS A 79 1.397 -6.944 -13.170 1.00 0.00 O ATOM 1190 CB LYS A 79 1.478 -4.660 -14.956 1.00 0.00 C ATOM 1191 CG LYS A 79 0.072 -5.240 -15.121 1.00 0.00 C ATOM 1192 CD LYS A 79 -0.403 -5.196 -16.573 1.00 0.00 C ATOM 1193 CE LYS A 79 -0.578 -3.765 -17.076 1.00 0.00 C ATOM 1194 NZ LYS A 79 -1.014 -3.722 -18.498 1.00 0.00 N ATOM 0 H LYS A 79 4.069 -4.530 -13.451 1.00 0.00 H new ATOM 0 HA LYS A 79 1.220 -4.095 -12.916 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.491 -3.649 -15.363 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.175 -5.252 -15.550 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.062 -6.271 -14.768 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.625 -4.683 -14.495 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.316 -5.717 -17.205 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.350 -5.729 -16.661 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.312 -3.250 -16.456 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.363 -3.226 -16.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.121 -2.732 -18.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.302 -4.190 -19.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.925 -4.214 -18.597 1.00 0.00 H new ATOM 1208 N ASP A 80 3.251 -6.153 -12.162 1.00 0.00 N ATOM 1209 CA ASP A 80 3.678 -7.425 -11.586 1.00 0.00 C ATOM 1210 C ASP A 80 3.517 -7.399 -10.068 1.00 0.00 C ATOM 1211 O ASP A 80 4.084 -8.228 -9.354 1.00 0.00 O ATOM 1212 CB ASP A 80 5.145 -7.684 -11.962 1.00 0.00 C ATOM 1213 CG ASP A 80 6.069 -6.538 -11.556 1.00 0.00 C ATOM 1214 OD1 ASP A 80 5.899 -5.412 -12.092 1.00 0.00 O ATOM 1215 OD2 ASP A 80 6.966 -6.751 -10.714 1.00 0.00 O ATOM 0 H ASP A 80 3.856 -5.370 -11.914 1.00 0.00 H new ATOM 0 HA ASP A 80 3.056 -8.228 -11.982 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.482 -8.604 -11.483 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.218 -7.840 -13.038 1.00 0.00 H new ATOM 1220 N LEU A 81 2.721 -6.449 -9.587 1.00 0.00 N ATOM 1221 CA LEU A 81 2.525 -6.255 -8.154 1.00 0.00 C ATOM 1222 C LEU A 81 1.648 -7.373 -7.582 1.00 0.00 C ATOM 1223 O LEU A 81 0.419 -7.290 -7.614 1.00 0.00 O ATOM 1224 CB LEU A 81 1.893 -4.870 -7.888 1.00 0.00 C ATOM 1225 CG LEU A 81 2.212 -4.218 -6.524 1.00 0.00 C ATOM 1226 CD1 LEU A 81 1.502 -2.873 -6.392 1.00 0.00 C ATOM 1227 CD2 LEU A 81 1.845 -5.131 -5.357 1.00 0.00 C ATOM 0 H LEU A 81 2.198 -5.798 -10.173 1.00 0.00 H new ATOM 0 HA LEU A 81 3.493 -6.293 -7.655 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.217 -4.190 -8.676 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.811 -4.966 -7.976 1.00 0.00 H new ATOM 0 HG LEU A 81 3.289 -4.054 -6.486 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.739 -2.430 -5.425 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.834 -2.207 -7.188 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.425 -3.021 -6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.085 -4.634 -4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.778 -5.351 -5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.409 -6.061 -5.431 1.00 0.00 H new ATOM 1239 N VAL A 82 2.286 -8.431 -7.093 1.00 0.00 N ATOM 1240 CA VAL A 82 1.573 -9.513 -6.418 1.00 0.00 C ATOM 1241 C VAL A 82 1.285 -9.124 -4.963 1.00 0.00 C ATOM 1242 O VAL A 82 2.060 -9.421 -4.051 1.00 0.00 O ATOM 1243 CB VAL A 82 2.359 -10.856 -6.498 1.00 0.00 C ATOM 1244 CG1 VAL A 82 3.800 -10.691 -6.013 1.00 0.00 C ATOM 1245 CG2 VAL A 82 1.643 -11.959 -5.716 1.00 0.00 C ATOM 0 H VAL A 82 3.296 -8.564 -7.151 1.00 0.00 H new ATOM 0 HA VAL A 82 0.624 -9.669 -6.932 1.00 0.00 H new ATOM 0 HB VAL A 82 2.395 -11.153 -7.546 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.319 -11.647 -6.082 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.311 -9.955 -6.634 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.799 -10.353 -4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.213 -12.885 -5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.558 -11.666 -4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.647 -12.112 -6.132 1.00 0.00 H new ATOM 1255 N TYR A 83 0.179 -8.412 -4.765 1.00 0.00 N ATOM 1256 CA TYR A 83 -0.196 -7.912 -3.443 1.00 0.00 C ATOM 1257 C TYR A 83 -1.108 -8.917 -2.744 1.00 0.00 C ATOM 1258 O TYR A 83 -2.293 -9.029 -3.071 1.00 0.00 O ATOM 1259 CB TYR A 83 -0.894 -6.546 -3.574 1.00 0.00 C ATOM 1260 CG TYR A 83 -0.718 -5.607 -2.390 1.00 0.00 C ATOM 1261 CD1 TYR A 83 0.453 -5.602 -1.639 1.00 0.00 C ATOM 1262 CD2 TYR A 83 -1.720 -4.711 -2.034 1.00 0.00 C ATOM 1263 CE1 TYR A 83 0.617 -4.734 -0.574 1.00 0.00 C ATOM 1264 CE2 TYR A 83 -1.561 -3.838 -0.975 1.00 0.00 C ATOM 1265 CZ TYR A 83 -0.391 -3.855 -0.247 1.00 0.00 C ATOM 1266 OH TYR A 83 -0.230 -2.991 0.812 1.00 0.00 O ATOM 0 H TYR A 83 -0.477 -8.167 -5.507 1.00 0.00 H new ATOM 0 HA TYR A 83 0.704 -7.784 -2.841 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -0.518 -6.049 -4.469 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.960 -6.715 -3.727 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.248 -6.288 -1.892 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.642 -4.697 -2.597 1.00 0.00 H new ATOM 0 HE1 TYR A 83 1.533 -4.746 -0.001 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -2.350 -3.146 -0.719 1.00 0.00 H new ATOM 0 HH TYR A 83 -0.847 -2.236 0.715 1.00 0.00 H new ATOM 1276 N THR A 84 -0.542 -9.665 -1.808 1.00 0.00 N ATOM 1277 CA THR A 84 -1.286 -10.667 -1.055 1.00 0.00 C ATOM 1278 C THR A 84 -1.364 -10.273 0.416 1.00 0.00 C ATOM 1279 O THR A 84 -0.367 -9.861 1.008 1.00 0.00 O ATOM 1280 CB THR A 84 -0.621 -12.057 -1.183 1.00 0.00 C ATOM 1281 OG1 THR A 84 -0.617 -12.467 -2.559 1.00 0.00 O ATOM 1282 CG2 THR A 84 -1.340 -13.101 -0.331 1.00 0.00 C ATOM 0 H THR A 84 0.442 -9.596 -1.549 1.00 0.00 H new ATOM 0 HA THR A 84 -2.293 -10.720 -1.469 1.00 0.00 H new ATOM 0 HB THR A 84 0.404 -11.977 -0.820 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.193 -13.347 -2.637 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.846 -14.066 -0.445 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.310 -12.799 0.716 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.377 -13.184 -0.655 1.00 0.00 H new ATOM 1290 N LYS A 85 -2.558 -10.361 0.994 1.00 0.00 N ATOM 1291 CA LYS A 85 -2.737 -10.104 2.417 1.00 0.00 C ATOM 1292 C LYS A 85 -2.686 -11.416 3.199 1.00 0.00 C ATOM 1293 O LYS A 85 -3.569 -12.266 3.062 1.00 0.00 O ATOM 1294 CB LYS A 85 -4.060 -9.362 2.692 1.00 0.00 C ATOM 1295 CG LYS A 85 -5.308 -10.040 2.123 1.00 0.00 C ATOM 1296 CD LYS A 85 -6.582 -9.569 2.827 1.00 0.00 C ATOM 1297 CE LYS A 85 -6.771 -8.058 2.741 1.00 0.00 C ATOM 1298 NZ LYS A 85 -7.137 -7.609 1.372 1.00 0.00 N ATOM 0 H LYS A 85 -3.415 -10.608 0.499 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.922 -9.461 2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.182 -9.254 3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.989 -8.357 2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.383 -9.828 1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.214 -11.121 2.227 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.444 -10.066 2.382 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.547 -9.869 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.548 -7.752 3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.851 -7.561 3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.865 -6.613 1.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.639 -8.193 0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.164 -7.707 1.237 1.00 0.00 H new ATOM 1312 N ALA A 86 -1.634 -11.587 3.996 1.00 0.00 N ATOM 1313 CA ALA A 86 -1.514 -12.757 4.862 1.00 0.00 C ATOM 1314 C ALA A 86 -2.526 -12.656 5.996 1.00 0.00 C ATOM 1315 O ALA A 86 -3.090 -13.657 6.444 1.00 0.00 O ATOM 1316 CB ALA A 86 -0.097 -12.880 5.414 1.00 0.00 C ATOM 0 H ALA A 86 -0.854 -10.932 4.060 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.722 -13.653 4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.032 -13.758 6.056 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.608 -12.981 4.588 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.147 -11.989 5.992 1.00 0.00 H new ATOM 1322 N ASN A 87 -2.751 -11.421 6.441 1.00 0.00 N ATOM 1323 CA ASN A 87 -3.742 -11.111 7.468 1.00 0.00 C ATOM 1324 C ASN A 87 -4.543 -9.893 7.017 1.00 0.00 C ATOM 1325 O ASN A 87 -4.044 -9.092 6.228 1.00 0.00 O ATOM 1326 CB ASN A 87 -3.064 -10.817 8.820 1.00 0.00 C ATOM 1327 CG ASN A 87 -2.364 -12.027 9.420 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -2.758 -13.170 9.189 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -1.331 -11.782 10.214 1.00 0.00 N ATOM 0 H ASN A 87 -2.248 -10.603 6.097 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.399 -11.970 7.602 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.338 -10.015 8.687 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.814 -10.455 9.523 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -0.834 -12.555 10.657 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.033 -10.821 10.382 1.00 0.00 H new ATOM 1336 N PRO A 88 -5.787 -9.726 7.505 1.00 0.00 N ATOM 1337 CA PRO A 88 -6.630 -8.572 7.148 1.00 0.00 C ATOM 1338 C PRO A 88 -5.939 -7.229 7.411 1.00 0.00 C ATOM 1339 O PRO A 88 -6.285 -6.212 6.809 1.00 0.00 O ATOM 1340 CB PRO A 88 -7.859 -8.734 8.054 1.00 0.00 C ATOM 1341 CG PRO A 88 -7.917 -10.195 8.349 1.00 0.00 C ATOM 1342 CD PRO A 88 -6.486 -10.655 8.417 1.00 0.00 C ATOM 0 HA PRO A 88 -6.866 -8.558 6.084 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.758 -8.148 8.968 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -8.767 -8.394 7.556 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.434 -10.384 9.290 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.463 -10.730 7.572 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.092 -10.595 9.432 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.381 -11.691 8.095 1.00 0.00 H new ATOM 1350 N THR A 89 -4.961 -7.233 8.316 1.00 0.00 N ATOM 1351 CA THR A 89 -4.232 -6.017 8.680 1.00 0.00 C ATOM 1352 C THR A 89 -2.768 -6.083 8.217 1.00 0.00 C ATOM 1353 O THR A 89 -1.992 -5.155 8.451 1.00 0.00 O ATOM 1354 CB THR A 89 -4.289 -5.782 10.212 1.00 0.00 C ATOM 1355 OG1 THR A 89 -3.751 -4.493 10.543 1.00 0.00 O ATOM 1356 CG2 THR A 89 -3.519 -6.864 10.966 1.00 0.00 C ATOM 0 H THR A 89 -4.654 -8.069 8.813 1.00 0.00 H new ATOM 0 HA THR A 89 -4.715 -5.182 8.173 1.00 0.00 H new ATOM 0 HB THR A 89 -5.336 -5.825 10.513 1.00 0.00 H new ATOM 0 HG1 THR A 89 -3.100 -4.225 9.861 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.577 -6.672 12.037 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.954 -7.839 10.748 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.475 -6.854 10.652 1.00 0.00 H new ATOM 1364 N PHE A 90 -2.400 -7.170 7.536 1.00 0.00 N ATOM 1365 CA PHE A 90 -1.021 -7.368 7.085 1.00 0.00 C ATOM 1366 C PHE A 90 -0.988 -7.777 5.611 1.00 0.00 C ATOM 1367 O PHE A 90 -1.382 -8.893 5.252 1.00 0.00 O ATOM 1368 CB PHE A 90 -0.312 -8.426 7.951 1.00 0.00 C ATOM 1369 CG PHE A 90 1.121 -8.688 7.541 1.00 0.00 C ATOM 1370 CD1 PHE A 90 2.161 -7.922 8.056 1.00 0.00 C ATOM 1371 CD2 PHE A 90 1.428 -9.698 6.638 1.00 0.00 C ATOM 1372 CE1 PHE A 90 3.468 -8.157 7.675 1.00 0.00 C ATOM 1373 CE2 PHE A 90 2.734 -9.936 6.256 1.00 0.00 C ATOM 1374 CZ PHE A 90 3.754 -9.165 6.776 1.00 0.00 C ATOM 0 H PHE A 90 -3.037 -7.926 7.285 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.490 -6.422 7.192 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.329 -8.102 8.991 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.872 -9.360 7.899 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.944 -7.134 8.762 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.634 -10.306 6.229 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.266 -7.552 8.080 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.957 -10.724 5.552 1.00 0.00 H new ATOM 0 HZ PHE A 90 4.776 -9.350 6.480 1.00 0.00 H new ATOM 1384 N HIS A 91 -0.515 -6.866 4.771 1.00 0.00 N ATOM 1385 CA HIS A 91 -0.369 -7.114 3.339 1.00 0.00 C ATOM 1386 C HIS A 91 1.115 -7.278 3.006 1.00 0.00 C ATOM 1387 O HIS A 91 1.978 -6.852 3.777 1.00 0.00 O ATOM 1388 CB HIS A 91 -0.978 -5.942 2.539 1.00 0.00 C ATOM 1389 CG HIS A 91 -2.020 -6.347 1.532 1.00 0.00 C ATOM 1390 ND1 HIS A 91 -3.360 -6.043 1.647 1.00 0.00 N ATOM 1391 CD2 HIS A 91 -1.896 -7.019 0.354 1.00 0.00 C ATOM 1392 CE1 HIS A 91 -3.989 -6.527 0.573 1.00 0.00 C ATOM 1393 NE2 HIS A 91 -3.148 -7.130 -0.242 1.00 0.00 N ATOM 0 H HIS A 91 -0.221 -5.933 5.061 1.00 0.00 H new ATOM 0 HA HIS A 91 -0.898 -8.027 3.067 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -1.423 -5.234 3.238 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.176 -5.417 2.021 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.973 -7.404 -0.053 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.050 -6.436 0.396 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.369 -7.585 -1.128 1.00 0.00 H new ATOM 1401 N HIS A 92 1.412 -7.905 1.874 1.00 0.00 N ATOM 1402 CA HIS A 92 2.793 -8.090 1.431 1.00 0.00 C ATOM 1403 C HIS A 92 2.850 -8.269 -0.080 1.00 0.00 C ATOM 1404 O HIS A 92 1.843 -8.597 -0.712 1.00 0.00 O ATOM 1405 CB HIS A 92 3.441 -9.296 2.131 1.00 0.00 C ATOM 1406 CG HIS A 92 2.657 -10.569 2.015 1.00 0.00 C ATOM 1407 ND1 HIS A 92 2.856 -11.509 1.026 1.00 0.00 N ATOM 1408 CD2 HIS A 92 1.667 -11.063 2.803 1.00 0.00 C ATOM 1409 CE1 HIS A 92 2.009 -12.520 1.242 1.00 0.00 C ATOM 1410 NE2 HIS A 92 1.265 -12.300 2.310 1.00 0.00 N ATOM 0 H HIS A 92 0.713 -8.296 1.242 1.00 0.00 H new ATOM 0 HA HIS A 92 3.354 -7.195 1.701 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.434 -9.455 1.711 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.575 -9.060 3.187 1.00 0.00 H new ATOM 0 HD1 HIS A 92 3.531 -11.444 0.264 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.257 -10.573 3.674 1.00 0.00 H new ATOM 0 HE1 HIS A 92 1.942 -13.403 0.623 1.00 0.00 H new ATOM 1418 N TRP A 93 4.030 -8.053 -0.652 1.00 0.00 N ATOM 1419 CA TRP A 93 4.222 -8.160 -2.092 1.00 0.00 C ATOM 1420 C TRP A 93 5.641 -8.608 -2.415 1.00 0.00 C ATOM 1421 O TRP A 93 6.520 -8.589 -1.552 1.00 0.00 O ATOM 1422 CB TRP A 93 3.932 -6.814 -2.779 1.00 0.00 C ATOM 1423 CG TRP A 93 4.889 -5.711 -2.408 1.00 0.00 C ATOM 1424 CD1 TRP A 93 5.975 -5.296 -3.123 1.00 0.00 C ATOM 1425 CD2 TRP A 93 4.847 -4.884 -1.238 1.00 0.00 C ATOM 1426 NE1 TRP A 93 6.603 -4.264 -2.476 1.00 0.00 N ATOM 1427 CE2 TRP A 93 5.931 -3.990 -1.316 1.00 0.00 C ATOM 1428 CE3 TRP A 93 3.995 -4.810 -0.133 1.00 0.00 C ATOM 1429 CZ2 TRP A 93 6.185 -3.036 -0.334 1.00 0.00 C ATOM 1430 CZ3 TRP A 93 4.248 -3.864 0.842 1.00 0.00 C ATOM 1431 CH2 TRP A 93 5.334 -2.986 0.737 1.00 0.00 C ATOM 0 H TRP A 93 4.873 -7.801 -0.135 1.00 0.00 H new ATOM 0 HA TRP A 93 3.523 -8.907 -2.469 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.961 -6.957 -3.859 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.919 -6.501 -2.526 1.00 0.00 H new ATOM 0 HD1 TRP A 93 6.294 -5.720 -4.064 1.00 0.00 H new ATOM 0 HE1 TRP A 93 7.437 -3.778 -2.806 1.00 0.00 H new ATOM 0 HE3 TRP A 93 3.153 -5.481 -0.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 7.023 -2.360 -0.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.596 -3.801 1.701 1.00 0.00 H new ATOM 0 HH2 TRP A 93 5.503 -2.256 1.515 1.00 0.00 H new ATOM 1442 N LYS A 94 5.855 -9.011 -3.660 1.00 0.00 N ATOM 1443 CA LYS A 94 7.184 -9.351 -4.148 1.00 0.00 C ATOM 1444 C LYS A 94 7.430 -8.653 -5.480 1.00 0.00 C ATOM 1445 O LYS A 94 6.856 -9.029 -6.506 1.00 0.00 O ATOM 1446 CB LYS A 94 7.350 -10.870 -4.311 1.00 0.00 C ATOM 1447 CG LYS A 94 8.733 -11.276 -4.819 1.00 0.00 C ATOM 1448 CD LYS A 94 8.850 -12.782 -5.044 1.00 0.00 C ATOM 1449 CE LYS A 94 10.234 -13.162 -5.567 1.00 0.00 C ATOM 1450 NZ LYS A 94 10.348 -14.615 -5.854 1.00 0.00 N ATOM 0 H LYS A 94 5.117 -9.111 -4.357 1.00 0.00 H new ATOM 0 HA LYS A 94 7.916 -9.013 -3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.167 -11.354 -3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.593 -11.239 -5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.942 -10.754 -5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.489 -10.959 -4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.656 -13.307 -4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.089 -13.105 -5.755 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.445 -12.597 -6.475 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.988 -12.879 -4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.304 -14.825 -6.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.173 -15.156 -4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.647 -14.883 -6.574 1.00 0.00 H new ATOM 1464 N VAL A 95 8.258 -7.619 -5.453 1.00 0.00 N ATOM 1465 CA VAL A 95 8.594 -6.862 -6.654 1.00 0.00 C ATOM 1466 C VAL A 95 10.087 -6.579 -6.684 1.00 0.00 C ATOM 1467 O VAL A 95 10.790 -6.844 -5.703 1.00 0.00 O ATOM 1468 CB VAL A 95 7.809 -5.528 -6.750 1.00 0.00 C ATOM 1469 CG1 VAL A 95 6.302 -5.784 -6.755 1.00 0.00 C ATOM 1470 CG2 VAL A 95 8.206 -4.576 -5.621 1.00 0.00 C ATOM 0 H VAL A 95 8.714 -7.281 -4.605 1.00 0.00 H new ATOM 0 HA VAL A 95 8.310 -7.472 -7.511 1.00 0.00 H new ATOM 0 HB VAL A 95 8.070 -5.048 -7.693 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.772 -4.834 -6.823 1.00 0.00 H new ATOM 0 HG12 VAL A 95 6.042 -6.407 -7.611 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.016 -6.294 -5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 95 7.641 -3.648 -5.712 1.00 0.00 H new ATOM 0 HG22 VAL A 95 7.988 -5.041 -4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.272 -4.359 -5.686 1.00 0.00 H new ATOM 1480 N ASP A 96 10.557 -6.028 -7.802 1.00 0.00 N ATOM 1481 CA ASP A 96 11.984 -5.811 -8.034 1.00 0.00 C ATOM 1482 C ASP A 96 12.741 -7.135 -7.973 1.00 0.00 C ATOM 1483 O ASP A 96 13.077 -7.707 -9.013 1.00 0.00 O ATOM 1484 CB ASP A 96 12.578 -4.786 -7.047 1.00 0.00 C ATOM 1485 CG ASP A 96 12.130 -3.360 -7.343 1.00 0.00 C ATOM 1486 OD1 ASP A 96 12.375 -2.880 -8.475 1.00 0.00 O ATOM 1487 OD2 ASP A 96 11.538 -2.708 -6.454 1.00 0.00 O ATOM 0 H ASP A 96 9.961 -5.720 -8.571 1.00 0.00 H new ATOM 0 HA ASP A 96 12.097 -5.392 -9.034 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.284 -5.052 -6.032 1.00 0.00 H new ATOM 0 HB3 ASP A 96 13.666 -4.837 -7.087 1.00 0.00 H new ATOM 1492 N ASN A 97 12.978 -7.638 -6.764 1.00 0.00 N ATOM 1493 CA ASN A 97 13.688 -8.904 -6.593 1.00 0.00 C ATOM 1494 C ASN A 97 13.498 -9.495 -5.192 1.00 0.00 C ATOM 1495 O ASN A 97 14.153 -10.479 -4.851 1.00 0.00 O ATOM 1496 CB ASN A 97 15.189 -8.716 -6.866 1.00 0.00 C ATOM 1497 CG ASN A 97 15.874 -7.816 -5.845 1.00 0.00 C ATOM 1498 OD1 ASN A 97 15.258 -6.911 -5.279 1.00 0.00 O ATOM 1499 ND2 ASN A 97 17.153 -8.058 -5.603 1.00 0.00 N ATOM 0 H ASN A 97 12.691 -7.192 -5.893 1.00 0.00 H new ATOM 0 HA ASN A 97 13.262 -9.604 -7.312 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.677 -9.691 -6.867 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.321 -8.292 -7.862 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.661 -7.486 -4.929 1.00 0.00 H new ATOM 0 HD22 ASN A 97 17.630 -8.816 -6.091 1.00 0.00 H new ATOM 1506 N ARG A 98 12.600 -8.929 -4.382 1.00 0.00 N ATOM 1507 CA ARG A 98 12.451 -9.391 -2.999 1.00 0.00 C ATOM 1508 C ARG A 98 11.011 -9.223 -2.499 1.00 0.00 C ATOM 1509 O ARG A 98 10.197 -8.543 -3.131 1.00 0.00 O ATOM 1510 CB ARG A 98 13.439 -8.639 -2.084 1.00 0.00 C ATOM 1511 CG ARG A 98 14.091 -9.517 -1.015 1.00 0.00 C ATOM 1512 CD ARG A 98 14.885 -10.666 -1.638 1.00 0.00 C ATOM 1513 NE ARG A 98 15.615 -11.450 -0.637 1.00 0.00 N ATOM 1514 CZ ARG A 98 15.962 -12.731 -0.791 1.00 0.00 C ATOM 1515 NH1 ARG A 98 15.623 -13.390 -1.891 1.00 0.00 N ATOM 1516 NH2 ARG A 98 16.648 -13.354 0.158 1.00 0.00 N ATOM 0 H ARG A 98 11.978 -8.167 -4.651 1.00 0.00 H new ATOM 0 HA ARG A 98 12.681 -10.456 -2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 98 14.221 -8.194 -2.699 1.00 0.00 H new ATOM 0 HB3 ARG A 98 12.913 -7.819 -1.595 1.00 0.00 H new ATOM 0 HG2 ARG A 98 14.753 -8.909 -0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 98 13.322 -9.920 -0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 98 14.204 -11.321 -2.182 1.00 0.00 H new ATOM 0 HD3 ARG A 98 15.590 -10.264 -2.365 1.00 0.00 H new ATOM 0 HE ARG A 98 15.875 -10.987 0.234 1.00 0.00 H new ATOM 0 HH11 ARG A 98 15.094 -12.919 -2.625 1.00 0.00 H new ATOM 0 HH12 ARG A 98 15.891 -14.368 -2.003 1.00 0.00 H new ATOM 0 HH21 ARG A 98 16.912 -12.855 1.008 1.00 0.00 H new ATOM 0 HH22 ARG A 98 16.912 -14.332 0.038 1.00 0.00 H new ATOM 1530 N LYS A 99 10.715 -9.851 -1.358 1.00 0.00 N ATOM 1531 CA LYS A 99 9.374 -9.853 -0.773 1.00 0.00 C ATOM 1532 C LYS A 99 9.311 -8.891 0.413 1.00 0.00 C ATOM 1533 O LYS A 99 10.026 -9.064 1.403 1.00 0.00 O ATOM 1534 CB LYS A 99 9.008 -11.282 -0.331 1.00 0.00 C ATOM 1535 CG LYS A 99 7.595 -11.447 0.228 1.00 0.00 C ATOM 1536 CD LYS A 99 7.236 -12.926 0.388 1.00 0.00 C ATOM 1537 CE LYS A 99 5.869 -13.132 1.038 1.00 0.00 C ATOM 1538 NZ LYS A 99 5.891 -12.846 2.497 1.00 0.00 N ATOM 0 H LYS A 99 11.401 -10.373 -0.813 1.00 0.00 H new ATOM 0 HA LYS A 99 8.655 -9.518 -1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.125 -11.950 -1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 99 9.722 -11.605 0.427 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.521 -10.945 1.193 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.879 -10.965 -0.438 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.245 -13.406 -0.591 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.999 -13.418 0.991 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.137 -12.485 0.554 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.543 -14.159 0.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.026 -13.219 2.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.722 -13.300 2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.941 -11.818 2.649 1.00 0.00 H new ATOM 1552 N PHE A 100 8.462 -7.876 0.299 1.00 0.00 N ATOM 1553 CA PHE A 100 8.313 -6.858 1.337 1.00 0.00 C ATOM 1554 C PHE A 100 6.908 -6.922 1.931 1.00 0.00 C ATOM 1555 O PHE A 100 6.044 -7.635 1.414 1.00 0.00 O ATOM 1556 CB PHE A 100 8.578 -5.466 0.750 1.00 0.00 C ATOM 1557 CG PHE A 100 9.840 -5.384 -0.075 1.00 0.00 C ATOM 1558 CD1 PHE A 100 11.090 -5.454 0.525 1.00 0.00 C ATOM 1559 CD2 PHE A 100 9.774 -5.230 -1.455 1.00 0.00 C ATOM 1560 CE1 PHE A 100 12.245 -5.373 -0.231 1.00 0.00 C ATOM 1561 CE2 PHE A 100 10.926 -5.150 -2.213 1.00 0.00 C ATOM 1562 CZ PHE A 100 12.162 -5.221 -1.602 1.00 0.00 C ATOM 0 H PHE A 100 7.859 -7.734 -0.511 1.00 0.00 H new ATOM 0 HA PHE A 100 9.038 -7.048 2.128 1.00 0.00 H new ATOM 0 HB2 PHE A 100 7.730 -5.176 0.130 1.00 0.00 H new ATOM 0 HB3 PHE A 100 8.639 -4.744 1.564 1.00 0.00 H new ATOM 0 HD1 PHE A 100 11.161 -5.573 1.596 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.811 -5.172 -1.940 1.00 0.00 H new ATOM 0 HE1 PHE A 100 13.211 -5.428 0.249 1.00 0.00 H new ATOM 0 HE2 PHE A 100 10.860 -5.032 -3.284 1.00 0.00 H new ATOM 0 HZ PHE A 100 13.063 -5.158 -2.195 1.00 0.00 H new ATOM 1572 N GLY A 101 6.679 -6.185 3.017 1.00 0.00 N ATOM 1573 CA GLY A 101 5.388 -6.218 3.685 1.00 0.00 C ATOM 1574 C GLY A 101 4.962 -4.862 4.210 1.00 0.00 C ATOM 1575 O GLY A 101 5.775 -3.941 4.312 1.00 0.00 O ATOM 0 H GLY A 101 7.366 -5.565 3.446 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.634 -6.586 2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.431 -6.926 4.513 1.00 0.00 H new ATOM 1579 N LEU A 102 3.682 -4.747 4.546 1.00 0.00 N ATOM 1580 CA LEU A 102 3.110 -3.508 5.059 1.00 0.00 C ATOM 1581 C LEU A 102 1.951 -3.844 5.997 1.00 0.00 C ATOM 1582 O LEU A 102 1.099 -4.674 5.670 1.00 0.00 O ATOM 1583 CB LEU A 102 2.646 -2.621 3.882 1.00 0.00 C ATOM 1584 CG LEU A 102 2.207 -1.179 4.229 1.00 0.00 C ATOM 1585 CD1 LEU A 102 2.267 -0.289 2.988 1.00 0.00 C ATOM 1586 CD2 LEU A 102 0.796 -1.152 4.821 1.00 0.00 C ATOM 0 H LEU A 102 3.011 -5.511 4.470 1.00 0.00 H new ATOM 0 HA LEU A 102 3.859 -2.951 5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 102 3.459 -2.564 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.813 -3.120 3.387 1.00 0.00 H new ATOM 0 HG LEU A 102 2.899 -0.795 4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.955 0.722 3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.287 -0.266 2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 102 1.601 -0.687 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.519 -0.124 5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.091 -1.564 4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.772 -1.749 5.733 1.00 0.00 H new ATOM 1598 N THR A 103 1.937 -3.216 7.166 1.00 0.00 N ATOM 1599 CA THR A 103 0.889 -3.441 8.153 1.00 0.00 C ATOM 1600 C THR A 103 0.038 -2.182 8.320 1.00 0.00 C ATOM 1601 O THR A 103 0.565 -1.068 8.411 1.00 0.00 O ATOM 1602 CB THR A 103 1.497 -3.858 9.512 1.00 0.00 C ATOM 1603 OG1 THR A 103 2.345 -4.998 9.324 1.00 0.00 O ATOM 1604 CG2 THR A 103 0.412 -4.198 10.531 1.00 0.00 C ATOM 0 H THR A 103 2.646 -2.542 7.455 1.00 0.00 H new ATOM 0 HA THR A 103 0.253 -4.252 7.797 1.00 0.00 H new ATOM 0 HB THR A 103 2.073 -3.017 9.897 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.819 -5.195 10.159 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.876 -4.487 11.474 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.223 -3.327 10.691 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.193 -5.024 10.157 1.00 0.00 H new ATOM 1612 N PHE A 104 -1.277 -2.368 8.339 1.00 0.00 N ATOM 1613 CA PHE A 104 -2.222 -1.263 8.470 1.00 0.00 C ATOM 1614 C PHE A 104 -2.462 -0.947 9.945 1.00 0.00 C ATOM 1615 O PHE A 104 -1.867 -1.574 10.827 1.00 0.00 O ATOM 1616 CB PHE A 104 -3.543 -1.619 7.774 1.00 0.00 C ATOM 1617 CG PHE A 104 -3.368 -2.029 6.331 1.00 0.00 C ATOM 1618 CD1 PHE A 104 -3.070 -1.087 5.358 1.00 0.00 C ATOM 1619 CD2 PHE A 104 -3.493 -3.360 5.952 1.00 0.00 C ATOM 1620 CE1 PHE A 104 -2.903 -1.461 4.039 1.00 0.00 C ATOM 1621 CE2 PHE A 104 -3.325 -3.739 4.634 1.00 0.00 C ATOM 1622 CZ PHE A 104 -3.030 -2.790 3.676 1.00 0.00 C ATOM 0 H PHE A 104 -1.718 -3.285 8.264 1.00 0.00 H new ATOM 0 HA PHE A 104 -1.803 -0.378 7.992 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.025 -2.431 8.319 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.213 -0.761 7.822 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.967 -0.048 5.635 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.724 -4.107 6.697 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -2.673 -0.716 3.291 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.424 -4.777 4.353 1.00 0.00 H new ATOM 0 HZ PHE A 104 -2.899 -3.084 2.645 1.00 0.00 H new ATOM 1632 N GLN A 105 -3.334 0.020 10.216 1.00 0.00 N ATOM 1633 CA GLN A 105 -3.615 0.437 11.588 1.00 0.00 C ATOM 1634 C GLN A 105 -5.110 0.347 11.896 1.00 0.00 C ATOM 1635 O GLN A 105 -5.551 -0.526 12.651 1.00 0.00 O ATOM 1636 CB GLN A 105 -3.115 1.869 11.817 1.00 0.00 C ATOM 1637 CG GLN A 105 -3.321 2.372 13.242 1.00 0.00 C ATOM 1638 CD GLN A 105 -2.977 3.841 13.398 1.00 0.00 C ATOM 1639 OE1 GLN A 105 -1.839 4.199 13.704 1.00 0.00 O ATOM 1640 NE2 GLN A 105 -3.959 4.700 13.183 1.00 0.00 N ATOM 0 H GLN A 105 -3.858 0.530 9.505 1.00 0.00 H new ATOM 0 HA GLN A 105 -3.088 -0.238 12.262 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.053 1.916 11.575 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.629 2.538 11.127 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -4.359 2.213 13.533 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.706 1.784 13.923 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.887 4.361 12.931 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.788 5.702 13.269 1.00 0.00 H new ATOM 1649 N SER A 106 -5.887 1.241 11.296 1.00 0.00 N ATOM 1650 CA SER A 106 -7.315 1.343 11.574 1.00 0.00 C ATOM 1651 C SER A 106 -8.130 0.838 10.379 1.00 0.00 C ATOM 1652 O SER A 106 -7.626 0.796 9.258 1.00 0.00 O ATOM 1653 CB SER A 106 -7.669 2.804 11.893 1.00 0.00 C ATOM 1654 OG SER A 106 -6.938 3.270 13.023 1.00 0.00 O ATOM 0 H SER A 106 -5.548 1.912 10.607 1.00 0.00 H new ATOM 0 HA SER A 106 -7.560 0.721 12.435 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.450 3.432 11.029 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.738 2.889 12.086 1.00 0.00 H new ATOM 0 HG SER A 106 -7.178 4.202 13.206 1.00 0.00 H new ATOM 1660 N PRO A 107 -9.404 0.444 10.601 1.00 0.00 N ATOM 1661 CA PRO A 107 -10.281 -0.039 9.525 1.00 0.00 C ATOM 1662 C PRO A 107 -10.387 0.967 8.379 1.00 0.00 C ATOM 1663 O PRO A 107 -10.591 0.587 7.228 1.00 0.00 O ATOM 1664 CB PRO A 107 -11.647 -0.232 10.215 1.00 0.00 C ATOM 1665 CG PRO A 107 -11.537 0.504 11.511 1.00 0.00 C ATOM 1666 CD PRO A 107 -10.089 0.426 11.903 1.00 0.00 C ATOM 0 HA PRO A 107 -9.901 -0.953 9.069 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -12.457 0.166 9.604 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.860 -1.288 10.379 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.857 1.540 11.401 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -12.173 0.053 12.272 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -9.792 1.268 12.529 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -9.869 -0.482 12.464 1.00 0.00 H new ATOM 1674 N ALA A 108 -10.234 2.247 8.705 1.00 0.00 N ATOM 1675 CA ALA A 108 -10.279 3.309 7.708 1.00 0.00 C ATOM 1676 C ALA A 108 -9.190 3.109 6.655 1.00 0.00 C ATOM 1677 O ALA A 108 -9.480 2.783 5.501 1.00 0.00 O ATOM 1678 CB ALA A 108 -10.135 4.673 8.380 1.00 0.00 C ATOM 0 H ALA A 108 -10.077 2.574 9.658 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.246 3.270 7.206 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.170 5.457 7.623 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -10.950 4.817 9.090 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -9.182 4.720 8.907 1.00 0.00 H new ATOM 1684 N ASP A 109 -7.933 3.273 7.074 1.00 0.00 N ATOM 1685 CA ASP A 109 -6.788 3.146 6.171 1.00 0.00 C ATOM 1686 C ASP A 109 -6.707 1.740 5.582 1.00 0.00 C ATOM 1687 O ASP A 109 -6.506 1.577 4.378 1.00 0.00 O ATOM 1688 CB ASP A 109 -5.477 3.504 6.897 1.00 0.00 C ATOM 1689 CG ASP A 109 -5.314 2.793 8.238 1.00 0.00 C ATOM 1690 OD1 ASP A 109 -4.769 1.670 8.272 1.00 0.00 O ATOM 1691 OD2 ASP A 109 -5.740 3.366 9.266 1.00 0.00 O ATOM 0 H ASP A 109 -7.682 3.495 8.037 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.930 3.849 5.350 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.634 3.251 6.255 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -5.442 4.581 7.059 1.00 0.00 H new ATOM 1696 N ALA A 110 -6.888 0.734 6.433 1.00 0.00 N ATOM 1697 CA ALA A 110 -6.837 -0.664 6.009 1.00 0.00 C ATOM 1698 C ALA A 110 -7.835 -0.945 4.885 1.00 0.00 C ATOM 1699 O ALA A 110 -7.448 -1.252 3.756 1.00 0.00 O ATOM 1700 CB ALA A 110 -7.100 -1.583 7.199 1.00 0.00 C ATOM 0 H ALA A 110 -7.073 0.862 7.428 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.838 -0.862 5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -7.060 -2.622 6.872 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.342 -1.414 7.964 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -8.086 -1.370 7.612 1.00 0.00 H new ATOM 1706 N ARG A 111 -9.122 -0.798 5.197 1.00 0.00 N ATOM 1707 CA ARG A 111 -10.187 -1.135 4.256 1.00 0.00 C ATOM 1708 C ARG A 111 -10.081 -0.280 2.994 1.00 0.00 C ATOM 1709 O ARG A 111 -10.289 -0.773 1.881 1.00 0.00 O ATOM 1710 CB ARG A 111 -11.563 -0.934 4.910 1.00 0.00 C ATOM 1711 CG ARG A 111 -12.717 -1.607 4.168 1.00 0.00 C ATOM 1712 CD ARG A 111 -12.640 -3.127 4.274 1.00 0.00 C ATOM 1713 NE ARG A 111 -13.758 -3.784 3.593 1.00 0.00 N ATOM 1714 CZ ARG A 111 -14.448 -4.811 4.098 1.00 0.00 C ATOM 1715 NH1 ARG A 111 -14.187 -5.269 5.319 1.00 0.00 N ATOM 1716 NH2 ARG A 111 -15.412 -5.369 3.381 1.00 0.00 N ATOM 0 H ARG A 111 -9.452 -0.447 6.096 1.00 0.00 H new ATOM 0 HA ARG A 111 -10.077 -2.183 3.978 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -11.528 -1.320 5.929 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -11.766 0.135 4.981 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -13.666 -1.260 4.578 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -12.697 -1.313 3.119 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -11.700 -3.473 3.844 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -12.635 -3.417 5.325 1.00 0.00 H new ATOM 0 HE ARG A 111 -14.027 -3.435 2.673 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -13.454 -4.836 5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -14.720 -6.053 5.694 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -15.624 -5.015 2.448 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -15.942 -6.153 3.761 1.00 0.00 H new ATOM 1730 N ALA A 112 -9.745 0.997 3.177 1.00 0.00 N ATOM 1731 CA ALA A 112 -9.624 1.928 2.058 1.00 0.00 C ATOM 1732 C ALA A 112 -8.472 1.535 1.140 1.00 0.00 C ATOM 1733 O ALA A 112 -8.588 1.624 -0.083 1.00 0.00 O ATOM 1734 CB ALA A 112 -9.430 3.352 2.562 1.00 0.00 C ATOM 0 H ALA A 112 -9.552 1.409 4.090 1.00 0.00 H new ATOM 0 HA ALA A 112 -10.550 1.882 1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -9.342 4.030 1.713 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -10.286 3.642 3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.523 3.405 3.164 1.00 0.00 H new ATOM 1740 N PHE A 113 -7.366 1.092 1.734 1.00 0.00 N ATOM 1741 CA PHE A 113 -6.185 0.719 0.964 1.00 0.00 C ATOM 1742 C PHE A 113 -6.456 -0.569 0.188 1.00 0.00 C ATOM 1743 O PHE A 113 -6.100 -0.680 -0.986 1.00 0.00 O ATOM 1744 CB PHE A 113 -4.967 0.547 1.883 1.00 0.00 C ATOM 1745 CG PHE A 113 -3.642 0.610 1.155 1.00 0.00 C ATOM 1746 CD1 PHE A 113 -3.083 -0.525 0.584 1.00 0.00 C ATOM 1747 CD2 PHE A 113 -2.960 1.814 1.040 1.00 0.00 C ATOM 1748 CE1 PHE A 113 -1.874 -0.458 -0.082 1.00 0.00 C ATOM 1749 CE2 PHE A 113 -1.750 1.883 0.375 1.00 0.00 C ATOM 1750 CZ PHE A 113 -1.206 0.746 -0.186 1.00 0.00 C ATOM 0 H PHE A 113 -7.264 0.983 2.743 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.963 1.518 0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.988 1.323 2.648 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -5.044 -0.411 2.398 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -3.599 -1.471 0.661 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -3.380 2.708 1.476 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.451 -1.349 -0.522 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -1.231 2.827 0.295 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.260 0.798 -0.705 1.00 0.00 H new ATOM 1760 N ASP A 114 -7.099 -1.535 0.846 1.00 0.00 N ATOM 1761 CA ASP A 114 -7.506 -2.781 0.188 1.00 0.00 C ATOM 1762 C ASP A 114 -8.428 -2.472 -0.992 1.00 0.00 C ATOM 1763 O ASP A 114 -8.284 -3.033 -2.087 1.00 0.00 O ATOM 1764 CB ASP A 114 -8.228 -3.720 1.170 1.00 0.00 C ATOM 1765 CG ASP A 114 -7.301 -4.337 2.209 1.00 0.00 C ATOM 1766 OD1 ASP A 114 -6.337 -5.024 1.814 1.00 0.00 O ATOM 1767 OD2 ASP A 114 -7.556 -4.169 3.421 1.00 0.00 O ATOM 0 H ASP A 114 -7.350 -1.480 1.833 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.606 -3.281 -0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -9.015 -3.165 1.680 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.714 -4.518 0.608 1.00 0.00 H new ATOM 1772 N ARG A 115 -9.369 -1.570 -0.754 1.00 0.00 N ATOM 1773 CA ARG A 115 -10.310 -1.130 -1.778 1.00 0.00 C ATOM 1774 C ARG A 115 -9.557 -0.425 -2.906 1.00 0.00 C ATOM 1775 O ARG A 115 -9.856 -0.614 -4.089 1.00 0.00 O ATOM 1776 CB ARG A 115 -11.342 -0.181 -1.152 1.00 0.00 C ATOM 1777 CG ARG A 115 -12.422 0.308 -2.111 1.00 0.00 C ATOM 1778 CD ARG A 115 -13.360 1.297 -1.429 1.00 0.00 C ATOM 1779 NE ARG A 115 -14.008 0.716 -0.246 1.00 0.00 N ATOM 1780 CZ ARG A 115 -13.930 1.231 0.984 1.00 0.00 C ATOM 1781 NH1 ARG A 115 -13.234 2.335 1.208 1.00 0.00 N ATOM 1782 NH2 ARG A 115 -14.559 0.644 1.993 1.00 0.00 N ATOM 0 H ARG A 115 -9.503 -1.122 0.153 1.00 0.00 H new ATOM 0 HA ARG A 115 -10.828 -1.995 -2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -11.821 -0.689 -0.315 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.819 0.684 -0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -11.957 0.781 -2.976 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -12.994 -0.542 -2.483 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -12.800 2.185 -1.136 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -14.122 1.621 -2.137 1.00 0.00 H new ATOM 0 HE ARG A 115 -14.553 -0.137 -0.372 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -12.752 2.799 0.438 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -13.180 2.721 2.150 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -15.104 -0.203 1.831 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -14.498 1.039 2.931 1.00 0.00 H new ATOM 1796 N GLY A 116 -8.559 0.366 -2.515 1.00 0.00 N ATOM 1797 CA GLY A 116 -7.780 1.133 -3.466 1.00 0.00 C ATOM 1798 C GLY A 116 -6.933 0.258 -4.365 1.00 0.00 C ATOM 1799 O GLY A 116 -6.887 0.470 -5.580 1.00 0.00 O ATOM 0 H GLY A 116 -8.276 0.488 -1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.451 1.735 -4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.134 1.826 -2.926 1.00 0.00 H new ATOM 1803 N VAL A 117 -6.263 -0.735 -3.778 1.00 0.00 N ATOM 1804 CA VAL A 117 -5.406 -1.625 -4.550 1.00 0.00 C ATOM 1805 C VAL A 117 -6.244 -2.502 -5.471 1.00 0.00 C ATOM 1806 O VAL A 117 -5.833 -2.796 -6.592 1.00 0.00 O ATOM 1807 CB VAL A 117 -4.492 -2.510 -3.661 1.00 0.00 C ATOM 1808 CG1 VAL A 117 -5.301 -3.449 -2.766 1.00 0.00 C ATOM 1809 CG2 VAL A 117 -3.511 -3.295 -4.533 1.00 0.00 C ATOM 0 H VAL A 117 -6.299 -0.939 -2.779 1.00 0.00 H new ATOM 0 HA VAL A 117 -4.751 -0.987 -5.144 1.00 0.00 H new ATOM 0 HB VAL A 117 -3.928 -1.851 -3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -4.622 -4.050 -2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -5.947 -2.862 -2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -5.912 -4.105 -3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -2.875 -3.913 -3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -4.066 -3.933 -5.221 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -2.892 -2.600 -5.101 1.00 0.00 H new ATOM 1819 N ARG A 118 -7.426 -2.906 -5.006 1.00 0.00 N ATOM 1820 CA ARG A 118 -8.355 -3.639 -5.860 1.00 0.00 C ATOM 1821 C ARG A 118 -8.703 -2.793 -7.083 1.00 0.00 C ATOM 1822 O ARG A 118 -8.551 -3.232 -8.225 1.00 0.00 O ATOM 1823 CB ARG A 118 -9.634 -4.012 -5.100 1.00 0.00 C ATOM 1824 CG ARG A 118 -10.678 -4.691 -5.982 1.00 0.00 C ATOM 1825 CD ARG A 118 -11.930 -5.066 -5.206 1.00 0.00 C ATOM 1826 NE ARG A 118 -12.960 -5.627 -6.082 1.00 0.00 N ATOM 1827 CZ ARG A 118 -14.007 -6.334 -5.658 1.00 0.00 C ATOM 1828 NH1 ARG A 118 -14.145 -6.625 -4.372 1.00 0.00 N ATOM 1829 NH2 ARG A 118 -14.910 -6.764 -6.531 1.00 0.00 N ATOM 0 H ARG A 118 -7.758 -2.740 -4.056 1.00 0.00 H new ATOM 0 HA ARG A 118 -7.872 -4.563 -6.178 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -9.378 -4.675 -4.274 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -10.066 -3.111 -4.664 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -10.947 -4.025 -6.802 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -10.247 -5.587 -6.428 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -11.676 -5.790 -4.432 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -12.323 -4.184 -4.700 1.00 0.00 H new ATOM 0 HE ARG A 118 -12.870 -5.466 -7.085 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -13.447 -6.307 -3.699 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -14.949 -7.167 -4.055 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -14.801 -6.553 -7.523 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -15.713 -7.305 -6.210 1.00 0.00 H new ATOM 1843 N LYS A 119 -9.135 -1.559 -6.826 1.00 0.00 N ATOM 1844 CA LYS A 119 -9.474 -0.627 -7.895 1.00 0.00 C ATOM 1845 C LYS A 119 -8.268 -0.414 -8.806 1.00 0.00 C ATOM 1846 O LYS A 119 -8.412 -0.200 -10.009 1.00 0.00 O ATOM 1847 CB LYS A 119 -9.941 0.715 -7.314 1.00 0.00 C ATOM 1848 CG LYS A 119 -10.489 1.683 -8.359 1.00 0.00 C ATOM 1849 CD LYS A 119 -11.741 1.128 -9.037 1.00 0.00 C ATOM 1850 CE LYS A 119 -12.281 2.074 -10.100 1.00 0.00 C ATOM 1851 NZ LYS A 119 -13.562 1.589 -10.680 1.00 0.00 N ATOM 0 H LYS A 119 -9.258 -1.183 -5.886 1.00 0.00 H new ATOM 0 HA LYS A 119 -10.290 -1.052 -8.480 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -10.712 0.528 -6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -9.105 1.187 -6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -10.723 2.636 -7.885 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -9.724 1.880 -9.110 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -11.510 0.165 -9.492 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -12.511 0.949 -8.286 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -12.432 3.061 -9.664 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -11.543 2.186 -10.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -13.894 2.263 -11.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -13.414 0.658 -11.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -14.275 1.507 -9.927 1.00 0.00 H new ATOM 1865 N ALA A 120 -7.078 -0.488 -8.213 1.00 0.00 N ATOM 1866 CA ALA A 120 -5.835 -0.372 -8.961 1.00 0.00 C ATOM 1867 C ALA A 120 -5.637 -1.590 -9.860 1.00 0.00 C ATOM 1868 O ALA A 120 -5.139 -1.466 -10.975 1.00 0.00 O ATOM 1869 CB ALA A 120 -4.654 -0.204 -8.013 1.00 0.00 C ATOM 0 H ALA A 120 -6.952 -0.629 -7.211 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.894 0.514 -9.593 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.733 -0.119 -8.590 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.792 0.697 -7.416 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.590 -1.070 -7.354 1.00 0.00 H new ATOM 1875 N ILE A 121 -6.037 -2.765 -9.373 1.00 0.00 N ATOM 1876 CA ILE A 121 -5.962 -3.989 -10.167 1.00 0.00 C ATOM 1877 C ILE A 121 -6.823 -3.846 -11.418 1.00 0.00 C ATOM 1878 O ILE A 121 -6.375 -4.135 -12.529 1.00 0.00 O ATOM 1879 CB ILE A 121 -6.412 -5.240 -9.359 1.00 0.00 C ATOM 1880 CG1 ILE A 121 -5.486 -5.459 -8.147 1.00 0.00 C ATOM 1881 CG2 ILE A 121 -6.437 -6.483 -10.253 1.00 0.00 C ATOM 1882 CD1 ILE A 121 -5.893 -6.623 -7.265 1.00 0.00 C ATOM 0 H ILE A 121 -6.415 -2.894 -8.435 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.919 -4.136 -10.447 1.00 0.00 H new ATOM 0 HB ILE A 121 -7.424 -5.067 -8.992 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -4.470 -5.625 -8.504 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -5.469 -4.550 -7.546 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -6.754 -7.346 -9.668 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -7.135 -6.326 -11.075 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -5.439 -6.663 -10.653 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.193 -6.712 -6.434 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -6.897 -6.452 -6.877 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.882 -7.543 -7.849 1.00 0.00 H new ATOM 1894 N GLU A 122 -8.058 -3.381 -11.236 1.00 0.00 N ATOM 1895 CA GLU A 122 -8.927 -3.084 -12.373 1.00 0.00 C ATOM 1896 C GLU A 122 -8.277 -2.034 -13.282 1.00 0.00 C ATOM 1897 O GLU A 122 -8.022 -2.288 -14.462 1.00 0.00 O ATOM 1898 CB GLU A 122 -10.310 -2.582 -11.917 1.00 0.00 C ATOM 1899 CG GLU A 122 -11.248 -3.670 -11.389 1.00 0.00 C ATOM 1900 CD GLU A 122 -10.989 -4.064 -9.942 1.00 0.00 C ATOM 1901 OE1 GLU A 122 -11.541 -3.399 -9.034 1.00 0.00 O ATOM 1902 OE2 GLU A 122 -10.271 -5.059 -9.708 1.00 0.00 O ATOM 0 H GLU A 122 -8.476 -3.203 -10.323 1.00 0.00 H new ATOM 0 HA GLU A 122 -9.066 -4.013 -12.926 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -10.170 -1.834 -11.137 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -10.794 -2.081 -12.756 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -12.277 -3.324 -11.482 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -11.152 -4.555 -12.018 1.00 0.00 H new ATOM 1909 N ASP A 123 -7.973 -0.877 -12.703 1.00 0.00 N ATOM 1910 CA ASP A 123 -7.513 0.295 -13.458 1.00 0.00 C ATOM 1911 C ASP A 123 -6.179 0.048 -14.171 1.00 0.00 C ATOM 1912 O ASP A 123 -5.912 0.636 -15.221 1.00 0.00 O ATOM 1913 CB ASP A 123 -7.393 1.505 -12.520 1.00 0.00 C ATOM 1914 CG ASP A 123 -6.981 2.784 -13.238 1.00 0.00 C ATOM 1915 OD1 ASP A 123 -7.744 3.259 -14.106 1.00 0.00 O ATOM 1916 OD2 ASP A 123 -5.900 3.331 -12.924 1.00 0.00 O ATOM 0 H ASP A 123 -8.037 -0.720 -11.697 1.00 0.00 H new ATOM 0 HA ASP A 123 -8.256 0.496 -14.230 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -8.349 1.667 -12.023 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -6.663 1.282 -11.742 1.00 0.00 H new ATOM 1921 N LEU A 124 -5.349 -0.822 -13.609 1.00 0.00 N ATOM 1922 CA LEU A 124 -4.030 -1.105 -14.174 1.00 0.00 C ATOM 1923 C LEU A 124 -4.062 -2.312 -15.115 1.00 0.00 C ATOM 1924 O LEU A 124 -3.481 -2.277 -16.204 1.00 0.00 O ATOM 1925 CB LEU A 124 -3.010 -1.345 -13.049 1.00 0.00 C ATOM 1926 CG LEU A 124 -1.607 -1.798 -13.497 1.00 0.00 C ATOM 1927 CD1 LEU A 124 -0.968 -0.777 -14.439 1.00 0.00 C ATOM 1928 CD2 LEU A 124 -0.712 -2.054 -12.286 1.00 0.00 C ATOM 0 H LEU A 124 -5.564 -1.346 -12.761 1.00 0.00 H new ATOM 0 HA LEU A 124 -3.730 -0.235 -14.757 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -2.907 -0.424 -12.476 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -3.415 -2.098 -12.373 1.00 0.00 H new ATOM 0 HG LEU A 124 -1.717 -2.733 -14.047 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.021 -1.126 -14.737 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.593 -0.658 -15.324 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.876 0.182 -13.928 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.274 -2.373 -12.623 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.617 -1.138 -11.703 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.153 -2.834 -11.666 1.00 0.00 H new ATOM 1940 N ILE A 125 -4.742 -3.376 -14.692 1.00 0.00 N ATOM 1941 CA ILE A 125 -4.679 -4.658 -15.398 1.00 0.00 C ATOM 1942 C ILE A 125 -5.889 -4.892 -16.308 1.00 0.00 C ATOM 1943 O ILE A 125 -5.725 -5.316 -17.454 1.00 0.00 O ATOM 1944 CB ILE A 125 -4.563 -5.838 -14.394 1.00 0.00 C ATOM 1945 CG1 ILE A 125 -3.341 -5.645 -13.479 1.00 0.00 C ATOM 1946 CG2 ILE A 125 -4.477 -7.177 -15.132 1.00 0.00 C ATOM 1947 CD1 ILE A 125 -3.168 -6.736 -12.438 1.00 0.00 C ATOM 0 H ILE A 125 -5.342 -3.378 -13.867 1.00 0.00 H new ATOM 0 HA ILE A 125 -3.789 -4.614 -16.025 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.461 -5.850 -13.776 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -2.443 -5.600 -14.095 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.428 -4.684 -12.972 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -4.396 -7.987 -14.407 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -5.373 -7.318 -15.736 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -3.600 -7.180 -15.779 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.285 -6.526 -11.834 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -4.048 -6.768 -11.795 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -3.047 -7.698 -12.936 1.00 0.00 H new ATOM 1959 N GLU A 126 -7.093 -4.604 -15.812 1.00 0.00 N ATOM 1960 CA GLU A 126 -8.322 -4.984 -16.514 1.00 0.00 C ATOM 1961 C GLU A 126 -8.511 -4.159 -17.795 1.00 0.00 C ATOM 1962 O GLU A 126 -8.985 -3.007 -17.711 1.00 0.00 O ATOM 1963 CB GLU A 126 -9.534 -4.828 -15.583 1.00 0.00 C ATOM 1964 CG GLU A 126 -10.840 -5.337 -16.183 1.00 0.00 C ATOM 1965 CD GLU A 126 -12.024 -5.134 -15.254 1.00 0.00 C ATOM 1966 OE1 GLU A 126 -12.619 -4.033 -15.278 1.00 0.00 O ATOM 1967 OE2 GLU A 126 -12.364 -6.068 -14.499 1.00 0.00 O ATOM 1968 OXT GLU A 126 -8.189 -4.672 -18.887 1.00 0.00 O ATOM 0 H GLU A 126 -7.244 -4.112 -14.932 1.00 0.00 H new ATOM 0 HA GLU A 126 -8.236 -6.031 -16.806 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -9.338 -5.364 -14.654 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -9.649 -3.775 -15.325 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -11.029 -4.822 -17.125 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -10.741 -6.398 -16.414 1.00 0.00 H new TER 1975 GLU A 126