USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 560 hydrogens (30 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 NoAdj-H: A 10 ZAB HN2 : A 10 ZAB N : A 9 GLY C :(H bumps) USER MOD NoAdj-H: A 10 ZAB HN1 : A 10 ZAB N : A 9 GLY C :(H bumps) USER MOD NoAdj-H: B 110 ZAB HN2 : B 110 ZAB N : B 9 GLY C :(H bumps) USER MOD NoAdj-H: B 110 ZAB HN1 : B 110 ZAB N : B 9 GLY C :(H bumps) USER MOD Set 1.1: D 27 ASN :FLIP amide:sc= 0.41 F(o=-0.088,f=0.69) USER MOD Set 1.2: D 32 HIS :FLIP no HD1:sc= 0.283 F(o=-0.23,f=0.69) USER MOD Set 1.3: D 34 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: C 27 ASN :FLIP amide:sc= 0.197 X(o=-0.13,f=0.24) USER MOD Set 2.2: C 32 HIS :FLIP no HD1:sc= 0.0405 F(o=-0.28,f=0.24) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.132 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.522 USER MOD Single : B 1 GLY N :NH3+ -127:sc= 0.0798 (180deg=0) USER MOD Single : B 3 SER OG : rot 8:sc= 0.285 USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : C 19 TYR OH : rot 180:sc= 0 USER MOD Single : C 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 23 GLN : amide:sc= -1.35 X(o=-1.3,f=-1.4) USER MOD Single : C 24 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.23) USER MOD Single : C 25 TYR OH : rot 131:sc= 1.3 USER MOD Single : C 30 THR OG1 : rot -79:sc= 1.31 USER MOD Single : C 34 TYR OH : rot 180:sc= 0 USER MOD Single : D 19 TYR OH : rot 180:sc= 0 USER MOD Single : D 20 ASN : amide:sc= -0.131 K(o=-0.13,f=-2!) USER MOD Single : D 23 GLN : amide:sc= -0.872 X(o=-0.87,f=-0.49) USER MOD Single : D 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 25 TYR OH : rot 153:sc= 0.996 USER MOD Single : D 30 THR OG1 : rot -84:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.545 -9.281 1.500 1.00 0.00 N ATOM 2 CA GLY A 1 20.543 -8.338 2.016 1.00 0.00 C ATOM 3 C GLY A 1 21.167 -7.418 3.058 1.00 0.00 C ATOM 4 O GLY A 1 22.292 -7.664 3.490 1.00 0.00 O ATOM 0 H1 GLY A 1 21.723 -9.083 0.495 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.430 -9.175 2.036 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.192 -10.254 1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.135 -7.746 1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.711 -8.887 2.458 1.00 0.00 H new ATOM 8 N PRO A 2 20.447 -6.381 3.515 1.00 0.00 N ATOM 9 CA PRO A 2 20.935 -5.423 4.506 1.00 0.00 C ATOM 10 C PRO A 2 21.153 -6.047 5.881 1.00 0.00 C ATOM 11 O PRO A 2 22.072 -5.677 6.612 1.00 0.00 O ATOM 12 CB PRO A 2 19.894 -4.298 4.524 1.00 0.00 C ATOM 13 CG PRO A 2 18.606 -4.966 4.044 1.00 0.00 C ATOM 14 CD PRO A 2 19.123 -6.015 3.061 1.00 0.00 C ATOM 0 HA PRO A 2 21.923 -5.048 4.239 1.00 0.00 H new ATOM 0 HB2 PRO A 2 19.777 -3.881 5.524 1.00 0.00 H new ATOM 0 HB3 PRO A 2 20.184 -3.477 3.868 1.00 0.00 H new ATOM 0 HG2 PRO A 2 18.053 -5.419 4.867 1.00 0.00 H new ATOM 0 HG3 PRO A 2 17.935 -4.255 3.562 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.466 -6.884 3.039 1.00 0.00 H new ATOM 0 HD3 PRO A 2 19.156 -5.615 2.048 1.00 0.00 H new ATOM 22 N SER A 3 20.301 -7.007 6.193 1.00 0.00 N ATOM 23 CA SER A 3 20.277 -7.782 7.419 1.00 0.00 C ATOM 24 C SER A 3 19.916 -9.219 7.048 1.00 0.00 C ATOM 25 O SER A 3 20.692 -10.125 7.344 1.00 0.00 O ATOM 26 CB SER A 3 19.322 -7.137 8.438 1.00 0.00 C ATOM 27 OG SER A 3 19.288 -7.866 9.653 1.00 0.00 O ATOM 0 H SER A 3 19.557 -7.284 5.552 1.00 0.00 H new ATOM 0 HA SER A 3 21.249 -7.797 7.911 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.638 -6.113 8.636 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.319 -7.085 8.015 1.00 0.00 H new ATOM 0 HG SER A 3 18.674 -7.429 10.279 1.00 0.00 H new ATOM 33 N GLN A 4 18.774 -9.426 6.383 1.00 0.00 N ATOM 34 CA GLN A 4 18.285 -10.728 5.943 1.00 0.00 C ATOM 35 C GLN A 4 17.437 -10.552 4.672 1.00 0.00 C ATOM 36 O GLN A 4 16.992 -9.431 4.391 1.00 0.00 O ATOM 37 CB GLN A 4 17.433 -11.359 7.065 1.00 0.00 C ATOM 38 CG GLN A 4 18.277 -12.034 8.156 1.00 0.00 C ATOM 39 CD GLN A 4 17.459 -13.013 8.997 1.00 0.00 C ATOM 40 OE1 GLN A 4 17.800 -14.192 9.088 1.00 0.00 O ATOM 41 NE2 GLN A 4 16.407 -12.566 9.657 1.00 0.00 N ATOM 0 H GLN A 4 18.147 -8.663 6.130 1.00 0.00 H new ATOM 0 HA GLN A 4 19.127 -11.384 5.721 1.00 0.00 H new ATOM 0 HB2 GLN A 4 16.813 -10.587 7.520 1.00 0.00 H new ATOM 0 HB3 GLN A 4 16.757 -12.095 6.629 1.00 0.00 H new ATOM 0 HG2 GLN A 4 19.110 -12.563 7.693 1.00 0.00 H new ATOM 0 HG3 GLN A 4 18.706 -11.271 8.805 1.00 0.00 H new ATOM 0 HE21 GLN A 4 16.132 -11.587 9.575 1.00 0.00 H new ATOM 0 HE22 GLN A 4 15.869 -13.199 10.249 1.00 0.00 H new ATOM 50 N PRO A 5 17.223 -11.617 3.876 1.00 0.00 N ATOM 51 CA PRO A 5 16.400 -11.569 2.668 1.00 0.00 C ATOM 52 C PRO A 5 14.911 -11.573 3.056 1.00 0.00 C ATOM 53 O PRO A 5 14.584 -11.535 4.241 1.00 0.00 O ATOM 54 CB PRO A 5 16.783 -12.838 1.904 1.00 0.00 C ATOM 55 CG PRO A 5 17.025 -13.838 3.029 1.00 0.00 C ATOM 56 CD PRO A 5 17.711 -12.978 4.086 1.00 0.00 C ATOM 0 HA PRO A 5 16.560 -10.673 2.068 1.00 0.00 H new ATOM 0 HB2 PRO A 5 15.987 -13.165 1.234 1.00 0.00 H new ATOM 0 HB3 PRO A 5 17.673 -12.691 1.293 1.00 0.00 H new ATOM 0 HG2 PRO A 5 16.094 -14.269 3.397 1.00 0.00 H new ATOM 0 HG3 PRO A 5 17.655 -14.667 2.708 1.00 0.00 H new ATOM 0 HD2 PRO A 5 17.471 -13.328 5.090 1.00 0.00 H new ATOM 0 HD3 PRO A 5 18.795 -13.024 3.983 1.00 0.00 H new ATOM 64 N THR A 6 14.018 -11.617 2.062 1.00 0.00 N ATOM 65 CA THR A 6 12.569 -11.645 2.227 1.00 0.00 C ATOM 66 C THR A 6 12.074 -10.534 3.170 1.00 0.00 C ATOM 67 O THR A 6 11.816 -10.719 4.359 1.00 0.00 O ATOM 68 CB THR A 6 12.155 -13.053 2.663 1.00 0.00 C ATOM 69 OG1 THR A 6 12.666 -14.043 1.778 1.00 0.00 O ATOM 70 CG2 THR A 6 10.640 -13.207 2.711 1.00 0.00 C ATOM 0 H THR A 6 14.301 -11.635 1.082 1.00 0.00 H new ATOM 0 HA THR A 6 12.082 -11.428 1.276 1.00 0.00 H new ATOM 0 HB THR A 6 12.571 -13.193 3.661 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.386 -14.931 2.084 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.387 -14.220 3.025 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.224 -12.493 3.421 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.224 -13.019 1.721 1.00 0.00 H new ATOM 78 N TYR A 7 11.969 -9.345 2.593 1.00 0.00 N ATOM 79 CA TYR A 7 11.516 -8.117 3.239 1.00 0.00 C ATOM 80 C TYR A 7 10.038 -8.261 3.631 1.00 0.00 C ATOM 81 O TYR A 7 9.367 -9.152 3.099 1.00 0.00 O ATOM 82 CB TYR A 7 11.709 -6.958 2.248 1.00 0.00 C ATOM 83 CG TYR A 7 13.146 -6.516 2.063 1.00 0.00 C ATOM 84 CD1 TYR A 7 14.077 -7.396 1.483 1.00 0.00 C ATOM 85 CD2 TYR A 7 13.549 -5.220 2.448 1.00 0.00 C ATOM 86 CE1 TYR A 7 15.395 -6.986 1.268 1.00 0.00 C ATOM 87 CE2 TYR A 7 14.863 -4.787 2.195 1.00 0.00 C ATOM 88 CZ TYR A 7 15.779 -5.661 1.569 1.00 0.00 C ATOM 89 OH TYR A 7 16.992 -5.201 1.182 1.00 0.00 O ATOM 0 H TYR A 7 12.209 -9.202 1.612 1.00 0.00 H new ATOM 0 HA TYR A 7 12.089 -7.920 4.145 1.00 0.00 H new ATOM 0 HB2 TYR A 7 11.307 -7.255 1.279 1.00 0.00 H new ATOM 0 HB3 TYR A 7 11.122 -6.105 2.589 1.00 0.00 H new ATOM 0 HD1 TYR A 7 13.772 -8.393 1.203 1.00 0.00 H new ATOM 0 HD2 TYR A 7 12.848 -4.560 2.937 1.00 0.00 H new ATOM 0 HE1 TYR A 7 16.120 -7.682 0.872 1.00 0.00 H new ATOM 0 HE2 TYR A 7 15.170 -3.791 2.478 1.00 0.00 H new ATOM 0 HH TYR A 7 17.095 -4.269 1.468 1.00 0.00 H new ATOM 99 N PRO A 8 9.489 -7.383 4.489 1.00 0.00 N ATOM 100 CA PRO A 8 8.091 -7.482 4.875 1.00 0.00 C ATOM 101 C PRO A 8 7.161 -7.118 3.710 1.00 0.00 C ATOM 102 O PRO A 8 7.579 -6.552 2.694 1.00 0.00 O ATOM 103 CB PRO A 8 7.925 -6.537 6.074 1.00 0.00 C ATOM 104 CG PRO A 8 9.012 -5.489 5.861 1.00 0.00 C ATOM 105 CD PRO A 8 10.136 -6.287 5.202 1.00 0.00 C ATOM 0 HA PRO A 8 7.817 -8.502 5.145 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.933 -6.086 6.094 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.056 -7.063 7.020 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.668 -4.675 5.223 1.00 0.00 H new ATOM 0 HG3 PRO A 8 9.332 -5.043 6.803 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.709 -5.661 4.518 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.834 -6.666 5.948 1.00 0.00 H new ATOM 113 N GLY A 9 5.890 -7.479 3.850 1.00 0.00 N ATOM 114 CA GLY A 9 4.833 -7.212 2.883 1.00 0.00 C ATOM 115 C GLY A 9 3.789 -6.359 3.580 1.00 0.00 C ATOM 116 O GLY A 9 3.768 -6.329 4.816 1.00 0.00 O ATOM 0 H GLY A 9 5.556 -7.984 4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.232 -6.695 2.011 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.393 -8.144 2.527 1.00 0.00 H new TER 120 GLY A 9 ATOM 121 N PRO C 11 -7.764 -6.680 8.804 1.00 0.00 N ATOM 122 CA PRO C 11 -8.991 -5.974 8.480 1.00 0.00 C ATOM 123 C PRO C 11 -8.648 -4.635 7.827 1.00 0.00 C ATOM 124 O PRO C 11 -7.723 -3.948 8.272 1.00 0.00 O ATOM 125 CB PRO C 11 -9.744 -5.814 9.803 1.00 0.00 C ATOM 126 CG PRO C 11 -8.644 -5.863 10.861 1.00 0.00 C ATOM 127 CD PRO C 11 -7.585 -6.778 10.246 1.00 0.00 C ATOM 0 HA PRO C 11 -9.616 -6.509 7.765 1.00 0.00 H new ATOM 0 HB2 PRO C 11 -10.292 -4.872 9.840 1.00 0.00 H new ATOM 0 HB3 PRO C 11 -10.472 -6.612 9.947 1.00 0.00 H new ATOM 0 HG2 PRO C 11 -8.244 -4.871 11.068 1.00 0.00 H new ATOM 0 HG3 PRO C 11 -9.015 -6.260 11.806 1.00 0.00 H new ATOM 0 HD2 PRO C 11 -6.582 -6.466 10.537 1.00 0.00 H new ATOM 0 HD3 PRO C 11 -7.711 -7.806 10.587 1.00 0.00 H new ATOM 135 N VAL C 12 -9.468 -4.210 6.867 1.00 0.00 N ATOM 136 CA VAL C 12 -9.279 -2.961 6.137 1.00 0.00 C ATOM 137 C VAL C 12 -9.188 -1.744 7.066 1.00 0.00 C ATOM 138 O VAL C 12 -8.452 -0.817 6.734 1.00 0.00 O ATOM 139 CB VAL C 12 -10.340 -2.810 5.030 1.00 0.00 C ATOM 140 CG1 VAL C 12 -10.043 -3.805 3.896 1.00 0.00 C ATOM 141 CG2 VAL C 12 -11.786 -2.983 5.515 1.00 0.00 C ATOM 0 H VAL C 12 -10.293 -4.732 6.572 1.00 0.00 H new ATOM 0 HA VAL C 12 -8.309 -3.006 5.642 1.00 0.00 H new ATOM 0 HB VAL C 12 -10.268 -1.782 4.674 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -10.793 -3.698 3.113 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -9.055 -3.601 3.482 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -10.069 -4.822 4.288 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -12.469 -2.861 4.674 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -11.910 -3.978 5.942 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -12.008 -2.232 6.274 1.00 0.00 H new ATOM 151 N GLU C 13 -9.848 -1.761 8.229 1.00 0.00 N ATOM 152 CA GLU C 13 -9.825 -0.683 9.219 1.00 0.00 C ATOM 153 C GLU C 13 -8.398 -0.444 9.695 1.00 0.00 C ATOM 154 O GLU C 13 -7.982 0.705 9.871 1.00 0.00 O ATOM 155 CB GLU C 13 -10.710 -1.108 10.411 1.00 0.00 C ATOM 156 CG GLU C 13 -10.472 -0.331 11.719 1.00 0.00 C ATOM 157 CD GLU C 13 -11.480 -0.742 12.792 1.00 0.00 C ATOM 158 OE1 GLU C 13 -12.577 -0.138 12.845 1.00 0.00 O ATOM 159 OE2 GLU C 13 -11.272 -1.783 13.453 1.00 0.00 O ATOM 0 H GLU C 13 -10.429 -2.549 8.514 1.00 0.00 H new ATOM 0 HA GLU C 13 -10.201 0.240 8.778 1.00 0.00 H new ATOM 0 HB2 GLU C 13 -11.755 -0.993 10.125 1.00 0.00 H new ATOM 0 HB3 GLU C 13 -10.547 -2.168 10.603 1.00 0.00 H new ATOM 0 HG2 GLU C 13 -9.459 -0.516 12.077 1.00 0.00 H new ATOM 0 HG3 GLU C 13 -10.553 0.739 11.530 1.00 0.00 H new ATOM 166 N ASP C 14 -7.695 -1.532 10.009 1.00 0.00 N ATOM 167 CA ASP C 14 -6.328 -1.435 10.480 1.00 0.00 C ATOM 168 C ASP C 14 -5.418 -1.087 9.310 1.00 0.00 C ATOM 169 O ASP C 14 -4.608 -0.165 9.406 1.00 0.00 O ATOM 170 CB ASP C 14 -5.892 -2.717 11.200 1.00 0.00 C ATOM 171 CG ASP C 14 -4.678 -2.506 12.114 1.00 0.00 C ATOM 172 OD1 ASP C 14 -4.153 -1.372 12.184 1.00 0.00 O ATOM 173 OD2 ASP C 14 -4.519 -3.356 13.020 1.00 0.00 O ATOM 0 H ASP C 14 -8.055 -2.484 9.944 1.00 0.00 H new ATOM 0 HA ASP C 14 -6.255 -0.637 11.219 1.00 0.00 H new ATOM 0 HB2 ASP C 14 -6.725 -3.096 11.792 1.00 0.00 H new ATOM 0 HB3 ASP C 14 -5.654 -3.481 10.459 1.00 0.00 H new ATOM 178 N LEU C 15 -5.691 -1.695 8.146 1.00 0.00 N ATOM 179 CA LEU C 15 -4.931 -1.475 6.924 1.00 0.00 C ATOM 180 C LEU C 15 -4.923 0.006 6.503 1.00 0.00 C ATOM 181 O LEU C 15 -3.993 0.403 5.818 1.00 0.00 O ATOM 182 CB LEU C 15 -5.397 -2.406 5.791 1.00 0.00 C ATOM 183 CG LEU C 15 -4.251 -2.713 4.799 1.00 0.00 C ATOM 184 CD1 LEU C 15 -3.277 -3.765 5.349 1.00 0.00 C ATOM 185 CD2 LEU C 15 -4.825 -3.241 3.485 1.00 0.00 C ATOM 0 H LEU C 15 -6.456 -2.360 8.034 1.00 0.00 H new ATOM 0 HA LEU C 15 -3.895 -1.735 7.139 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -5.771 -3.338 6.215 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -6.227 -1.943 5.257 1.00 0.00 H new ATOM 0 HG LEU C 15 -3.710 -1.780 4.642 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -2.489 -3.949 4.618 1.00 0.00 H new ATOM 0 HD12 LEU C 15 -2.834 -3.401 6.276 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -3.815 -4.693 5.543 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -4.011 -3.455 2.792 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -5.389 -4.154 3.675 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -5.485 -2.491 3.049 1.00 0.00 H new ATOM 197 N ILE C 16 -5.907 0.830 6.889 1.00 0.00 N ATOM 198 CA ILE C 16 -5.949 2.261 6.553 1.00 0.00 C ATOM 199 C ILE C 16 -4.783 2.954 7.267 1.00 0.00 C ATOM 200 O ILE C 16 -3.925 3.571 6.631 1.00 0.00 O ATOM 201 CB ILE C 16 -7.305 2.875 6.986 1.00 0.00 C ATOM 202 CG1 ILE C 16 -8.449 2.391 6.077 1.00 0.00 C ATOM 203 CG2 ILE C 16 -7.333 4.414 6.989 1.00 0.00 C ATOM 204 CD1 ILE C 16 -9.821 2.455 6.759 1.00 0.00 C ATOM 0 H ILE C 16 -6.702 0.520 7.447 1.00 0.00 H new ATOM 0 HA ILE C 16 -5.854 2.399 5.476 1.00 0.00 H new ATOM 0 HB ILE C 16 -7.439 2.533 8.012 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -8.470 2.999 5.173 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -8.251 1.365 5.767 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -8.318 4.759 7.304 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -6.579 4.790 7.680 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -7.123 4.784 5.985 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -10.587 2.101 6.069 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -9.815 1.825 7.648 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -10.038 3.484 7.045 1.00 0.00 H new ATOM 216 N ARG C 17 -4.798 2.904 8.601 1.00 0.00 N ATOM 217 CA ARG C 17 -3.792 3.511 9.468 1.00 0.00 C ATOM 218 C ARG C 17 -2.411 2.942 9.162 1.00 0.00 C ATOM 219 O ARG C 17 -1.432 3.686 9.134 1.00 0.00 O ATOM 220 CB ARG C 17 -4.216 3.248 10.920 1.00 0.00 C ATOM 221 CG ARG C 17 -3.887 4.378 11.899 1.00 0.00 C ATOM 222 CD ARG C 17 -4.883 5.541 11.794 1.00 0.00 C ATOM 223 NE ARG C 17 -4.909 6.301 13.052 1.00 0.00 N ATOM 224 CZ ARG C 17 -5.956 6.907 13.618 1.00 0.00 C ATOM 225 NH1 ARG C 17 -7.129 6.974 13.005 1.00 0.00 N ATOM 226 NH2 ARG C 17 -5.823 7.445 14.820 1.00 0.00 N ATOM 0 H ARG C 17 -5.534 2.425 9.121 1.00 0.00 H new ATOM 0 HA ARG C 17 -3.726 4.586 9.299 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -5.291 3.068 10.943 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -3.732 2.334 11.265 1.00 0.00 H new ATOM 0 HG2 ARG C 17 -3.892 3.988 12.917 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -2.880 4.745 11.703 1.00 0.00 H new ATOM 0 HD2 ARG C 17 -4.602 6.197 10.970 1.00 0.00 H new ATOM 0 HD3 ARG C 17 -5.879 5.158 11.571 1.00 0.00 H new ATOM 0 HE ARG C 17 -4.023 6.374 13.552 1.00 0.00 H new ATOM 0 HH11 ARG C 17 -7.246 6.558 12.081 1.00 0.00 H new ATOM 0 HH12 ARG C 17 -7.915 7.442 13.457 1.00 0.00 H new ATOM 0 HH21 ARG C 17 -4.927 7.394 15.305 1.00 0.00 H new ATOM 0 HH22 ARG C 17 -6.616 7.910 15.261 1.00 0.00 H new ATOM 240 N PHE C 18 -2.365 1.650 8.848 1.00 0.00 N ATOM 241 CA PHE C 18 -1.164 0.924 8.496 1.00 0.00 C ATOM 242 C PHE C 18 -0.631 1.455 7.166 1.00 0.00 C ATOM 243 O PHE C 18 0.523 1.849 7.109 1.00 0.00 O ATOM 244 CB PHE C 18 -1.517 -0.560 8.435 1.00 0.00 C ATOM 245 CG PHE C 18 -0.445 -1.451 7.865 1.00 0.00 C ATOM 246 CD1 PHE C 18 0.566 -1.955 8.700 1.00 0.00 C ATOM 247 CD2 PHE C 18 -0.471 -1.781 6.497 1.00 0.00 C ATOM 248 CE1 PHE C 18 1.556 -2.789 8.163 1.00 0.00 C ATOM 249 CE2 PHE C 18 0.515 -2.621 5.965 1.00 0.00 C ATOM 250 CZ PHE C 18 1.530 -3.117 6.799 1.00 0.00 C ATOM 0 H PHE C 18 -3.200 1.064 8.833 1.00 0.00 H new ATOM 0 HA PHE C 18 -0.375 1.060 9.235 1.00 0.00 H new ATOM 0 HB2 PHE C 18 -1.754 -0.902 9.442 1.00 0.00 H new ATOM 0 HB3 PHE C 18 -2.421 -0.678 7.837 1.00 0.00 H new ATOM 0 HD1 PHE C 18 0.580 -1.701 9.750 1.00 0.00 H new ATOM 0 HD2 PHE C 18 -1.249 -1.388 5.860 1.00 0.00 H new ATOM 0 HE1 PHE C 18 2.338 -3.179 8.798 1.00 0.00 H new ATOM 0 HE2 PHE C 18 0.495 -2.886 4.918 1.00 0.00 H new ATOM 0 HZ PHE C 18 2.297 -3.756 6.387 1.00 0.00 H new ATOM 260 N TYR C 19 -1.463 1.587 6.125 1.00 0.00 N ATOM 261 CA TYR C 19 -1.071 2.098 4.807 1.00 0.00 C ATOM 262 C TYR C 19 -0.524 3.524 4.925 1.00 0.00 C ATOM 263 O TYR C 19 0.418 3.908 4.231 1.00 0.00 O ATOM 264 CB TYR C 19 -2.285 2.038 3.874 1.00 0.00 C ATOM 265 CG TYR C 19 -2.084 2.596 2.482 1.00 0.00 C ATOM 266 CD1 TYR C 19 -2.312 3.963 2.231 1.00 0.00 C ATOM 267 CD2 TYR C 19 -1.774 1.726 1.423 1.00 0.00 C ATOM 268 CE1 TYR C 19 -2.251 4.462 0.919 1.00 0.00 C ATOM 269 CE2 TYR C 19 -1.710 2.217 0.110 1.00 0.00 C ATOM 270 CZ TYR C 19 -1.943 3.584 -0.148 1.00 0.00 C ATOM 271 OH TYR C 19 -1.899 4.023 -1.431 1.00 0.00 O ATOM 0 H TYR C 19 -2.450 1.335 6.178 1.00 0.00 H new ATOM 0 HA TYR C 19 -0.274 1.482 4.391 1.00 0.00 H new ATOM 0 HB2 TYR C 19 -2.598 0.998 3.785 1.00 0.00 H new ATOM 0 HB3 TYR C 19 -3.106 2.578 4.345 1.00 0.00 H new ATOM 0 HD1 TYR C 19 -2.535 4.630 3.050 1.00 0.00 H new ATOM 0 HD2 TYR C 19 -1.585 0.681 1.619 1.00 0.00 H new ATOM 0 HE1 TYR C 19 -2.438 5.508 0.726 1.00 0.00 H new ATOM 0 HE2 TYR C 19 -1.482 1.546 -0.705 1.00 0.00 H new ATOM 0 HH TYR C 19 -1.670 3.277 -2.024 1.00 0.00 H new ATOM 281 N ASN C 20 -1.096 4.316 5.836 1.00 0.00 N ATOM 282 CA ASN C 20 -0.666 5.688 6.081 1.00 0.00 C ATOM 283 C ASN C 20 0.750 5.713 6.658 1.00 0.00 C ATOM 284 O ASN C 20 1.443 6.723 6.555 1.00 0.00 O ATOM 285 CB ASN C 20 -1.663 6.352 7.039 1.00 0.00 C ATOM 286 CG ASN C 20 -1.629 7.868 6.954 1.00 0.00 C ATOM 287 OD1 ASN C 20 -1.062 8.542 7.813 1.00 0.00 O ATOM 288 ND2 ASN C 20 -2.383 8.429 6.023 1.00 0.00 N ATOM 0 H ASN C 20 -1.874 4.019 6.425 1.00 0.00 H new ATOM 0 HA ASN C 20 -0.645 6.241 5.142 1.00 0.00 H new ATOM 0 HB2 ASN C 20 -2.670 6.001 6.812 1.00 0.00 H new ATOM 0 HB3 ASN C 20 -1.441 6.043 8.061 1.00 0.00 H new ATOM 0 HD21 ASN C 20 -2.504 9.442 6.007 1.00 0.00 H new ATOM 0 HD22 ASN C 20 -2.843 7.849 5.321 1.00 0.00 H new ATOM 295 N ASP C 21 1.192 4.607 7.253 1.00 0.00 N ATOM 296 CA ASP C 21 2.512 4.397 7.844 1.00 0.00 C ATOM 297 C ASP C 21 3.422 3.634 6.876 1.00 0.00 C ATOM 298 O ASP C 21 4.612 3.919 6.798 1.00 0.00 O ATOM 299 CB ASP C 21 2.375 3.635 9.172 1.00 0.00 C ATOM 300 CG ASP C 21 3.048 4.411 10.297 1.00 0.00 C ATOM 301 OD1 ASP C 21 2.452 5.445 10.698 1.00 0.00 O ATOM 302 OD2 ASP C 21 4.095 3.956 10.815 1.00 0.00 O ATOM 0 H ASP C 21 0.600 3.781 7.341 1.00 0.00 H new ATOM 0 HA ASP C 21 2.967 5.368 8.041 1.00 0.00 H new ATOM 0 HB2 ASP C 21 1.321 3.483 9.405 1.00 0.00 H new ATOM 0 HB3 ASP C 21 2.827 2.647 9.081 1.00 0.00 H new ATOM 307 N LEU C 22 2.844 2.814 5.991 1.00 0.00 N ATOM 308 CA LEU C 22 3.516 2.007 4.981 1.00 0.00 C ATOM 309 C LEU C 22 4.257 2.900 3.984 1.00 0.00 C ATOM 310 O LEU C 22 5.205 2.458 3.334 1.00 0.00 O ATOM 311 CB LEU C 22 2.463 1.133 4.281 1.00 0.00 C ATOM 312 CG LEU C 22 3.052 -0.054 3.506 1.00 0.00 C ATOM 313 CD1 LEU C 22 3.607 -1.118 4.462 1.00 0.00 C ATOM 314 CD2 LEU C 22 1.955 -0.679 2.635 1.00 0.00 C ATOM 0 H LEU C 22 1.832 2.693 5.964 1.00 0.00 H new ATOM 0 HA LEU C 22 4.263 1.365 5.448 1.00 0.00 H new ATOM 0 HB2 LEU C 22 1.765 0.755 5.028 1.00 0.00 H new ATOM 0 HB3 LEU C 22 1.889 1.754 3.593 1.00 0.00 H new ATOM 0 HG LEU C 22 3.870 0.310 2.884 1.00 0.00 H new ATOM 0 HD11 LEU C 22 4.018 -1.947 3.885 1.00 0.00 H new ATOM 0 HD12 LEU C 22 4.393 -0.680 5.077 1.00 0.00 H new ATOM 0 HD13 LEU C 22 2.806 -1.484 5.103 1.00 0.00 H new ATOM 0 HD21 LEU C 22 2.367 -1.523 2.082 1.00 0.00 H new ATOM 0 HD22 LEU C 22 1.139 -1.025 3.270 1.00 0.00 H new ATOM 0 HD23 LEU C 22 1.579 0.066 1.934 1.00 0.00 H new ATOM 326 N GLN C 23 3.863 4.176 3.888 1.00 0.00 N ATOM 327 CA GLN C 23 4.505 5.149 3.017 1.00 0.00 C ATOM 328 C GLN C 23 5.989 5.248 3.421 1.00 0.00 C ATOM 329 O GLN C 23 6.854 5.443 2.565 1.00 0.00 O ATOM 330 CB GLN C 23 3.740 6.500 3.076 1.00 0.00 C ATOM 331 CG GLN C 23 4.252 7.562 4.076 1.00 0.00 C ATOM 332 CD GLN C 23 5.587 8.230 3.709 1.00 0.00 C ATOM 333 OE1 GLN C 23 6.570 8.156 4.441 1.00 0.00 O ATOM 334 NE2 GLN C 23 5.688 8.869 2.555 1.00 0.00 N ATOM 0 H GLN C 23 3.082 4.558 4.421 1.00 0.00 H new ATOM 0 HA GLN C 23 4.471 4.841 1.972 1.00 0.00 H new ATOM 0 HB2 GLN C 23 3.756 6.940 2.079 1.00 0.00 H new ATOM 0 HB3 GLN C 23 2.698 6.287 3.314 1.00 0.00 H new ATOM 0 HG2 GLN C 23 3.493 8.338 4.175 1.00 0.00 H new ATOM 0 HG3 GLN C 23 4.358 7.093 5.054 1.00 0.00 H new ATOM 0 HE21 GLN C 23 4.879 8.938 1.938 1.00 0.00 H new ATOM 0 HE22 GLN C 23 6.575 9.293 2.283 1.00 0.00 H new ATOM 343 N GLN C 24 6.264 5.092 4.724 1.00 0.00 N ATOM 344 CA GLN C 24 7.578 5.137 5.334 1.00 0.00 C ATOM 345 C GLN C 24 8.369 3.908 4.877 1.00 0.00 C ATOM 346 O GLN C 24 9.502 4.042 4.425 1.00 0.00 O ATOM 347 CB GLN C 24 7.421 5.206 6.868 1.00 0.00 C ATOM 348 CG GLN C 24 8.521 5.999 7.581 1.00 0.00 C ATOM 349 CD GLN C 24 9.916 5.552 7.175 1.00 0.00 C ATOM 350 OE1 GLN C 24 10.388 4.494 7.587 1.00 0.00 O ATOM 351 NE2 GLN C 24 10.574 6.305 6.308 1.00 0.00 N ATOM 0 H GLN C 24 5.527 4.922 5.408 1.00 0.00 H new ATOM 0 HA GLN C 24 8.131 6.024 5.025 1.00 0.00 H new ATOM 0 HB2 GLN C 24 6.456 5.655 7.103 1.00 0.00 H new ATOM 0 HB3 GLN C 24 7.405 4.191 7.266 1.00 0.00 H new ATOM 0 HG2 GLN C 24 8.403 7.059 7.358 1.00 0.00 H new ATOM 0 HG3 GLN C 24 8.406 5.886 8.659 1.00 0.00 H new ATOM 0 HE21 GLN C 24 10.165 7.179 5.978 1.00 0.00 H new ATOM 0 HE22 GLN C 24 11.490 6.011 5.969 1.00 0.00 H new ATOM 360 N TYR C 25 7.766 2.717 4.930 1.00 0.00 N ATOM 361 CA TYR C 25 8.418 1.484 4.504 1.00 0.00 C ATOM 362 C TYR C 25 8.827 1.596 3.037 1.00 0.00 C ATOM 363 O TYR C 25 9.997 1.386 2.707 1.00 0.00 O ATOM 364 CB TYR C 25 7.499 0.281 4.739 1.00 0.00 C ATOM 365 CG TYR C 25 7.959 -1.012 4.083 1.00 0.00 C ATOM 366 CD1 TYR C 25 9.292 -1.450 4.209 1.00 0.00 C ATOM 367 CD2 TYR C 25 7.041 -1.798 3.359 1.00 0.00 C ATOM 368 CE1 TYR C 25 9.715 -2.629 3.570 1.00 0.00 C ATOM 369 CE2 TYR C 25 7.446 -3.002 2.761 1.00 0.00 C ATOM 370 CZ TYR C 25 8.795 -3.403 2.830 1.00 0.00 C ATOM 371 OH TYR C 25 9.216 -4.520 2.181 1.00 0.00 O ATOM 0 H TYR C 25 6.813 2.585 5.270 1.00 0.00 H new ATOM 0 HA TYR C 25 9.318 1.330 5.099 1.00 0.00 H new ATOM 0 HB2 TYR C 25 7.409 0.115 5.813 1.00 0.00 H new ATOM 0 HB3 TYR C 25 6.503 0.525 4.369 1.00 0.00 H new ATOM 0 HD1 TYR C 25 9.992 -0.878 4.799 1.00 0.00 H new ATOM 0 HD2 TYR C 25 6.016 -1.471 3.263 1.00 0.00 H new ATOM 0 HE1 TYR C 25 10.746 -2.943 3.645 1.00 0.00 H new ATOM 0 HE2 TYR C 25 6.724 -3.620 2.248 1.00 0.00 H new ATOM 0 HH TYR C 25 8.616 -5.266 2.391 1.00 0.00 H new ATOM 381 N LEU C 26 7.903 2.007 2.158 1.00 0.00 N ATOM 382 CA LEU C 26 8.210 2.156 0.735 1.00 0.00 C ATOM 383 C LEU C 26 9.323 3.198 0.558 1.00 0.00 C ATOM 384 O LEU C 26 10.179 3.054 -0.318 1.00 0.00 O ATOM 385 CB LEU C 26 6.943 2.492 -0.074 1.00 0.00 C ATOM 386 CG LEU C 26 6.812 1.611 -1.332 1.00 0.00 C ATOM 387 CD1 LEU C 26 5.462 1.862 -1.999 1.00 0.00 C ATOM 388 CD2 LEU C 26 7.922 1.845 -2.363 1.00 0.00 C ATOM 0 H LEU C 26 6.942 2.240 2.409 1.00 0.00 H new ATOM 0 HA LEU C 26 8.576 1.209 0.340 1.00 0.00 H new ATOM 0 HB2 LEU C 26 6.064 2.357 0.556 1.00 0.00 H new ATOM 0 HB3 LEU C 26 6.967 3.542 -0.367 1.00 0.00 H new ATOM 0 HG LEU C 26 6.899 0.579 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU C 26 5.374 1.237 -2.888 1.00 0.00 H new ATOM 0 HD12 LEU C 26 4.661 1.617 -1.302 1.00 0.00 H new ATOM 0 HD13 LEU C 26 5.387 2.911 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU C 26 7.765 1.191 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU C 26 7.901 2.884 -2.690 1.00 0.00 H new ATOM 0 HD23 LEU C 26 8.890 1.626 -1.912 1.00 0.00 H new ATOM 400 N ASN C 27 9.361 4.213 1.431 1.00 0.00 N ATOM 401 CA ASN C 27 10.378 5.257 1.424 1.00 0.00 C ATOM 402 C ASN C 27 11.746 4.610 1.654 1.00 0.00 C ATOM 403 O ASN C 27 12.698 4.995 0.980 1.00 0.00 O ATOM 404 CB ASN C 27 10.098 6.340 2.484 1.00 0.00 C ATOM 405 CG ASN C 27 9.766 7.678 1.860 1.00 0.00 C ATOM 406 OD1 ASN C 27 8.607 7.782 1.234 1.00 0.00 O flip ATOM 407 ND2 ASN C 27 10.552 8.619 1.960 1.00 0.00 N flip ATOM 0 H ASN C 27 8.671 4.328 2.173 1.00 0.00 H new ATOM 0 HA ASN C 27 10.362 5.758 0.456 1.00 0.00 H new ATOM 0 HB2 ASN C 27 9.270 6.021 3.117 1.00 0.00 H new ATOM 0 HB3 ASN C 27 10.970 6.448 3.129 1.00 0.00 H new ATOM 0 HD21 ASN C 27 11.437 8.494 2.452 1.00 0.00 H new ATOM 0 HD22 ASN C 27 10.319 9.524 1.551 1.00 0.00 H new ATOM 414 N VAL C 28 11.867 3.626 2.557 1.00 0.00 N ATOM 415 CA VAL C 28 13.130 2.930 2.826 1.00 0.00 C ATOM 416 C VAL C 28 13.487 2.056 1.617 1.00 0.00 C ATOM 417 O VAL C 28 14.620 2.129 1.140 1.00 0.00 O ATOM 418 CB VAL C 28 13.073 2.077 4.116 1.00 0.00 C ATOM 419 CG1 VAL C 28 14.465 1.535 4.484 1.00 0.00 C ATOM 420 CG2 VAL C 28 12.551 2.870 5.321 1.00 0.00 C ATOM 0 H VAL C 28 11.087 3.291 3.123 1.00 0.00 H new ATOM 0 HA VAL C 28 13.903 3.681 2.986 1.00 0.00 H new ATOM 0 HB VAL C 28 12.386 1.259 3.898 1.00 0.00 H new ATOM 0 HG11 VAL C 28 14.395 0.940 5.394 1.00 0.00 H new ATOM 0 HG12 VAL C 28 14.840 0.913 3.671 1.00 0.00 H new ATOM 0 HG13 VAL C 28 15.148 2.368 4.648 1.00 0.00 H new ATOM 0 HG21 VAL C 28 12.531 2.225 6.200 1.00 0.00 H new ATOM 0 HG22 VAL C 28 13.207 3.720 5.509 1.00 0.00 H new ATOM 0 HG23 VAL C 28 11.543 3.229 5.111 1.00 0.00 H new ATOM 430 N VAL C 29 12.524 1.310 1.055 1.00 0.00 N ATOM 431 CA VAL C 29 12.722 0.424 -0.105 1.00 0.00 C ATOM 432 C VAL C 29 13.134 1.207 -1.365 1.00 0.00 C ATOM 433 O VAL C 29 13.640 0.612 -2.323 1.00 0.00 O ATOM 434 CB VAL C 29 11.462 -0.447 -0.340 1.00 0.00 C ATOM 435 CG1 VAL C 29 11.627 -1.475 -1.474 1.00 0.00 C ATOM 436 CG2 VAL C 29 11.099 -1.284 0.895 1.00 0.00 C ATOM 0 H VAL C 29 11.564 1.305 1.401 1.00 0.00 H new ATOM 0 HA VAL C 29 13.553 -0.246 0.118 1.00 0.00 H new ATOM 0 HB VAL C 29 10.693 0.285 -0.587 1.00 0.00 H new ATOM 0 HG11 VAL C 29 10.706 -2.049 -1.582 1.00 0.00 H new ATOM 0 HG12 VAL C 29 11.842 -0.955 -2.408 1.00 0.00 H new ATOM 0 HG13 VAL C 29 12.449 -2.150 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL C 29 10.210 -1.878 0.683 1.00 0.00 H new ATOM 0 HG22 VAL C 29 11.928 -1.947 1.142 1.00 0.00 H new ATOM 0 HG23 VAL C 29 10.901 -0.622 1.738 1.00 0.00 H new ATOM 446 N THR C 30 13.064 2.535 -1.343 1.00 0.00 N ATOM 447 CA THR C 30 13.436 3.380 -2.466 1.00 0.00 C ATOM 448 C THR C 30 14.414 4.473 -2.064 1.00 0.00 C ATOM 449 O THR C 30 14.857 5.231 -2.917 1.00 0.00 O ATOM 450 CB THR C 30 12.158 3.975 -3.073 1.00 0.00 C ATOM 451 OG1 THR C 30 11.427 4.683 -2.085 1.00 0.00 O ATOM 452 CG2 THR C 30 11.254 2.886 -3.653 1.00 0.00 C ATOM 0 H THR C 30 12.742 3.059 -0.530 1.00 0.00 H new ATOM 0 HA THR C 30 13.952 2.772 -3.209 1.00 0.00 H new ATOM 0 HB THR C 30 12.465 4.649 -3.873 1.00 0.00 H new ATOM 0 HG1 THR C 30 10.933 4.048 -1.526 1.00 0.00 H new ATOM 0 HG21 THR C 30 10.358 3.343 -4.074 1.00 0.00 H new ATOM 0 HG22 THR C 30 11.789 2.347 -4.435 1.00 0.00 H new ATOM 0 HG23 THR C 30 10.969 2.191 -2.863 1.00 0.00 H new ATOM 460 N ARG C 31 14.793 4.555 -0.786 1.00 0.00 N ATOM 461 CA ARG C 31 15.686 5.579 -0.238 1.00 0.00 C ATOM 462 C ARG C 31 15.209 6.966 -0.714 1.00 0.00 C ATOM 463 O ARG C 31 16.013 7.831 -1.058 1.00 0.00 O ATOM 464 CB ARG C 31 17.136 5.206 -0.588 1.00 0.00 C ATOM 465 CG ARG C 31 18.153 5.922 0.302 1.00 0.00 C ATOM 466 CD ARG C 31 19.504 5.213 0.205 1.00 0.00 C ATOM 467 NE ARG C 31 20.550 5.952 0.921 1.00 0.00 N ATOM 468 CZ ARG C 31 20.813 5.925 2.230 1.00 0.00 C ATOM 469 NH1 ARG C 31 20.016 5.290 3.083 1.00 0.00 N ATOM 470 NH2 ARG C 31 21.876 6.567 2.696 1.00 0.00 N ATOM 0 H ARG C 31 14.476 3.889 -0.081 1.00 0.00 H new ATOM 0 HA ARG C 31 15.657 5.629 0.850 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.265 4.128 -0.488 1.00 0.00 H new ATOM 0 HB3 ARG C 31 17.331 5.455 -1.631 1.00 0.00 H new ATOM 0 HG2 ARG C 31 18.253 6.963 -0.007 1.00 0.00 H new ATOM 0 HG3 ARG C 31 17.807 5.928 1.336 1.00 0.00 H new ATOM 0 HD2 ARG C 31 19.419 4.208 0.618 1.00 0.00 H new ATOM 0 HD3 ARG C 31 19.785 5.105 -0.843 1.00 0.00 H new ATOM 0 HE ARG C 31 21.145 6.556 0.354 1.00 0.00 H new ATOM 0 HH11 ARG C 31 19.183 4.810 2.742 1.00 0.00 H new ATOM 0 HH12 ARG C 31 20.237 5.283 4.079 1.00 0.00 H new ATOM 0 HH21 ARG C 31 22.485 7.076 2.056 1.00 0.00 H new ATOM 0 HH22 ARG C 31 22.084 6.551 3.694 1.00 0.00 H new ATOM 484 N HIS C 32 13.883 7.144 -0.773 1.00 0.00 N ATOM 485 CA HIS C 32 13.156 8.329 -1.221 1.00 0.00 C ATOM 486 C HIS C 32 13.529 8.763 -2.653 1.00 0.00 C ATOM 487 O HIS C 32 13.304 9.908 -3.044 1.00 0.00 O ATOM 488 CB HIS C 32 13.189 9.451 -0.172 1.00 0.00 C ATOM 489 CG HIS C 32 12.135 10.517 -0.386 1.00 0.00 C ATOM 490 ND1 HIS C 32 10.789 10.328 -0.568 1.00 0.00 N flip ATOM 491 CD2 HIS C 32 12.369 11.868 -0.484 1.00 0.00 C flip ATOM 492 CE1 HIS C 32 10.200 11.581 -0.773 1.00 0.00 C flip ATOM 493 NE2 HIS C 32 11.199 12.479 -0.717 1.00 0.00 N flip ATOM 0 H HIS C 32 13.245 6.402 -0.485 1.00 0.00 H new ATOM 0 HA HIS C 32 12.105 8.052 -1.305 1.00 0.00 H new ATOM 0 HB2 HIS C 32 13.056 9.015 0.818 1.00 0.00 H new ATOM 0 HB3 HIS C 32 14.174 9.919 -0.184 1.00 0.00 H new ATOM 0 HD2 HIS C 32 13.329 12.353 -0.390 1.00 0.00 H new ATOM 0 HE1 HIS C 32 9.153 11.785 -0.942 1.00 0.00 H new ATOM 0 HE2 HIS C 32 11.083 13.485 -0.835 1.00 0.00 H new ATOM 501 N ARG C 33 14.112 7.872 -3.458 1.00 0.00 N ATOM 502 CA ARG C 33 14.514 8.076 -4.850 1.00 0.00 C ATOM 503 C ARG C 33 13.272 7.741 -5.693 1.00 0.00 C ATOM 504 O ARG C 33 13.276 6.794 -6.479 1.00 0.00 O ATOM 505 CB ARG C 33 15.741 7.167 -5.106 1.00 0.00 C ATOM 506 CG ARG C 33 16.618 7.545 -6.311 1.00 0.00 C ATOM 507 CD ARG C 33 17.954 6.768 -6.313 1.00 0.00 C ATOM 508 NE ARG C 33 18.764 7.052 -5.110 1.00 0.00 N ATOM 509 CZ ARG C 33 19.823 6.375 -4.645 1.00 0.00 C ATOM 510 NH1 ARG C 33 20.419 5.431 -5.366 1.00 0.00 N ATOM 511 NH2 ARG C 33 20.275 6.651 -3.426 1.00 0.00 N ATOM 0 H ARG C 33 14.329 6.930 -3.134 1.00 0.00 H new ATOM 0 HA ARG C 33 14.825 9.089 -5.105 1.00 0.00 H new ATOM 0 HB2 ARG C 33 16.365 7.171 -4.212 1.00 0.00 H new ATOM 0 HB3 ARG C 33 15.389 6.145 -5.244 1.00 0.00 H new ATOM 0 HG2 ARG C 33 16.076 7.339 -7.234 1.00 0.00 H new ATOM 0 HG3 ARG C 33 16.820 8.616 -6.292 1.00 0.00 H new ATOM 0 HD2 ARG C 33 17.751 5.699 -6.369 1.00 0.00 H new ATOM 0 HD3 ARG C 33 18.524 7.031 -7.204 1.00 0.00 H new ATOM 0 HE ARG C 33 18.481 7.866 -4.565 1.00 0.00 H new ATOM 0 HH11 ARG C 33 20.072 5.206 -6.298 1.00 0.00 H new ATOM 0 HH12 ARG C 33 21.224 4.931 -4.987 1.00 0.00 H new ATOM 0 HH21 ARG C 33 19.817 7.367 -2.862 1.00 0.00 H new ATOM 0 HH22 ARG C 33 21.080 6.147 -3.054 1.00 0.00 H new ATOM 525 N TYR C 34 12.144 8.370 -5.346 1.00 0.00 N ATOM 526 CA TYR C 34 10.833 8.206 -5.962 1.00 0.00 C ATOM 527 C TYR C 34 10.857 8.561 -7.449 1.00 0.00 C ATOM 528 O TYR C 34 11.860 9.002 -8.006 1.00 0.00 O ATOM 529 CB TYR C 34 9.806 9.052 -5.179 1.00 0.00 C ATOM 530 CG TYR C 34 8.974 8.282 -4.170 1.00 0.00 C ATOM 531 CD1 TYR C 34 9.584 7.476 -3.189 1.00 0.00 C ATOM 532 CD2 TYR C 34 7.571 8.389 -4.213 1.00 0.00 C ATOM 533 CE1 TYR C 34 8.792 6.786 -2.252 1.00 0.00 C ATOM 534 CE2 TYR C 34 6.776 7.696 -3.286 1.00 0.00 C ATOM 535 CZ TYR C 34 7.384 6.899 -2.290 1.00 0.00 C ATOM 536 OH TYR C 34 6.619 6.235 -1.381 1.00 0.00 O ATOM 0 H TYR C 34 12.126 9.046 -4.582 1.00 0.00 H new ATOM 0 HA TYR C 34 10.540 7.157 -5.912 1.00 0.00 H new ATOM 0 HB2 TYR C 34 10.337 9.848 -4.657 1.00 0.00 H new ATOM 0 HB3 TYR C 34 9.134 9.531 -5.891 1.00 0.00 H new ATOM 0 HD1 TYR C 34 10.660 7.387 -3.156 1.00 0.00 H new ATOM 0 HD2 TYR C 34 7.103 9.008 -4.964 1.00 0.00 H new ATOM 0 HE1 TYR C 34 9.262 6.168 -1.501 1.00 0.00 H new ATOM 0 HE2 TYR C 34 5.700 7.772 -3.334 1.00 0.00 H new ATOM 0 HH TYR C 34 5.672 6.424 -1.550 1.00 0.00 H new HETATM 546 N NH2 C 35 9.756 8.350 -8.144 1.00 0.00 N TER 549 NH2 C 35 ATOM 550 N GLY B 1 -22.047 -9.388 -1.394 1.00 0.00 N ATOM 551 CA GLY B 1 -21.379 -8.098 -1.597 1.00 0.00 C ATOM 552 C GLY B 1 -21.595 -7.590 -3.015 1.00 0.00 C ATOM 553 O GLY B 1 -22.575 -7.978 -3.663 1.00 0.00 O ATOM 0 H1 GLY B 1 -22.661 -9.333 -0.556 1.00 0.00 H new ATOM 0 H2 GLY B 1 -22.622 -9.617 -2.230 1.00 0.00 H new ATOM 0 H3 GLY B 1 -21.333 -10.130 -1.251 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -21.763 -7.369 -0.883 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -20.312 -8.203 -1.403 1.00 0.00 H new ATOM 557 N PRO B 2 -20.652 -6.806 -3.562 1.00 0.00 N ATOM 558 CA PRO B 2 -20.761 -6.228 -4.897 1.00 0.00 C ATOM 559 C PRO B 2 -20.362 -7.092 -6.086 1.00 0.00 C ATOM 560 O PRO B 2 -20.638 -6.709 -7.223 1.00 0.00 O ATOM 561 CB PRO B 2 -19.909 -4.961 -4.831 1.00 0.00 C ATOM 562 CG PRO B 2 -18.768 -5.415 -3.920 1.00 0.00 C ATOM 563 CD PRO B 2 -19.474 -6.288 -2.886 1.00 0.00 C ATOM 0 HA PRO B 2 -21.819 -6.069 -5.107 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -19.553 -4.653 -5.814 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -20.458 -4.117 -4.413 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -18.012 -5.974 -4.470 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -18.263 -4.568 -3.455 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -18.827 -7.097 -2.547 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -19.749 -5.709 -2.004 1.00 0.00 H new ATOM 571 N SER B 3 -19.701 -8.213 -5.842 1.00 0.00 N ATOM 572 CA SER B 3 -19.269 -9.132 -6.876 1.00 0.00 C ATOM 573 C SER B 3 -19.237 -10.537 -6.286 1.00 0.00 C ATOM 574 O SER B 3 -20.102 -11.362 -6.555 1.00 0.00 O ATOM 575 CB SER B 3 -17.882 -8.704 -7.397 1.00 0.00 C ATOM 576 OG SER B 3 -17.943 -7.527 -8.181 1.00 0.00 O ATOM 0 H SER B 3 -19.446 -8.512 -4.901 1.00 0.00 H new ATOM 0 HA SER B 3 -19.958 -9.121 -7.721 1.00 0.00 H new ATOM 0 HB2 SER B 3 -17.213 -8.541 -6.552 1.00 0.00 H new ATOM 0 HB3 SER B 3 -17.454 -9.512 -7.991 1.00 0.00 H new ATOM 0 HG SER B 3 -18.845 -7.147 -8.131 1.00 0.00 H new ATOM 582 N GLN B 4 -18.237 -10.779 -5.444 1.00 0.00 N ATOM 583 CA GLN B 4 -17.924 -12.031 -4.749 1.00 0.00 C ATOM 584 C GLN B 4 -17.009 -11.695 -3.557 1.00 0.00 C ATOM 585 O GLN B 4 -16.595 -10.534 -3.459 1.00 0.00 O ATOM 586 CB GLN B 4 -17.221 -12.973 -5.756 1.00 0.00 C ATOM 587 CG GLN B 4 -18.212 -13.722 -6.663 1.00 0.00 C ATOM 588 CD GLN B 4 -17.687 -15.083 -7.103 1.00 0.00 C ATOM 589 OE1 GLN B 4 -18.125 -16.110 -6.588 1.00 0.00 O ATOM 590 NE2 GLN B 4 -16.757 -15.118 -8.043 1.00 0.00 N ATOM 0 H GLN B 4 -17.567 -10.046 -5.208 1.00 0.00 H new ATOM 0 HA GLN B 4 -18.818 -12.528 -4.373 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -16.538 -12.391 -6.375 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -16.618 -13.697 -5.209 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -19.156 -13.854 -6.133 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -18.423 -13.116 -7.544 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -16.413 -14.249 -8.452 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -16.384 -16.013 -8.359 1.00 0.00 H new ATOM 599 N PRO B 5 -16.750 -12.607 -2.600 1.00 0.00 N ATOM 600 CA PRO B 5 -15.878 -12.312 -1.464 1.00 0.00 C ATOM 601 C PRO B 5 -14.393 -12.292 -1.873 1.00 0.00 C ATOM 602 O PRO B 5 -14.058 -12.472 -3.051 1.00 0.00 O ATOM 603 CB PRO B 5 -16.198 -13.417 -0.451 1.00 0.00 C ATOM 604 CG PRO B 5 -16.480 -14.624 -1.340 1.00 0.00 C ATOM 605 CD PRO B 5 -17.186 -14.002 -2.544 1.00 0.00 C ATOM 0 HA PRO B 5 -16.051 -11.320 -1.048 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -15.363 -13.600 0.225 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -17.058 -13.161 0.167 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -15.562 -15.136 -1.630 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -17.109 -15.358 -0.837 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -16.925 -14.528 -3.462 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -18.269 -14.067 -2.436 1.00 0.00 H new ATOM 613 N THR B 6 -13.517 -12.088 -0.881 1.00 0.00 N ATOM 614 CA THR B 6 -12.061 -12.039 -0.953 1.00 0.00 C ATOM 615 C THR B 6 -11.567 -10.869 -1.810 1.00 0.00 C ATOM 616 O THR B 6 -11.497 -10.939 -3.037 1.00 0.00 O ATOM 617 CB THR B 6 -11.573 -13.403 -1.423 1.00 0.00 C ATOM 618 OG1 THR B 6 -12.164 -14.433 -0.646 1.00 0.00 O ATOM 619 CG2 THR B 6 -10.059 -13.572 -1.410 1.00 0.00 C ATOM 0 H THR B 6 -13.843 -11.941 0.074 1.00 0.00 H new ATOM 0 HA THR B 6 -11.634 -11.840 0.030 1.00 0.00 H new ATOM 0 HB THR B 6 -11.883 -13.474 -2.466 1.00 0.00 H new ATOM 0 HG1 THR B 6 -11.843 -15.304 -0.960 1.00 0.00 H new ATOM 0 HG21 THR B 6 -9.801 -14.572 -1.759 1.00 0.00 H new ATOM 0 HG22 THR B 6 -9.604 -12.830 -2.066 1.00 0.00 H new ATOM 0 HG23 THR B 6 -9.686 -13.435 -0.395 1.00 0.00 H new ATOM 627 N TYR B 7 -11.329 -9.740 -1.153 1.00 0.00 N ATOM 628 CA TYR B 7 -10.861 -8.512 -1.777 1.00 0.00 C ATOM 629 C TYR B 7 -9.341 -8.571 -1.954 1.00 0.00 C ATOM 630 O TYR B 7 -8.660 -9.121 -1.080 1.00 0.00 O ATOM 631 CB TYR B 7 -11.254 -7.307 -0.911 1.00 0.00 C ATOM 632 CG TYR B 7 -12.698 -6.871 -1.068 1.00 0.00 C ATOM 633 CD1 TYR B 7 -13.726 -7.771 -0.735 1.00 0.00 C ATOM 634 CD2 TYR B 7 -13.026 -5.586 -1.558 1.00 0.00 C ATOM 635 CE1 TYR B 7 -15.070 -7.413 -0.873 1.00 0.00 C ATOM 636 CE2 TYR B 7 -14.378 -5.209 -1.676 1.00 0.00 C ATOM 637 CZ TYR B 7 -15.403 -6.119 -1.327 1.00 0.00 C ATOM 638 OH TYR B 7 -16.707 -5.744 -1.398 1.00 0.00 O ATOM 0 H TYR B 7 -11.460 -9.653 -0.145 1.00 0.00 H new ATOM 0 HA TYR B 7 -11.325 -8.403 -2.757 1.00 0.00 H new ATOM 0 HB2 TYR B 7 -11.072 -7.552 0.136 1.00 0.00 H new ATOM 0 HB3 TYR B 7 -10.604 -6.468 -1.160 1.00 0.00 H new ATOM 0 HD1 TYR B 7 -13.473 -8.754 -0.367 1.00 0.00 H new ATOM 0 HD2 TYR B 7 -12.244 -4.897 -1.840 1.00 0.00 H new ATOM 0 HE1 TYR B 7 -15.849 -8.122 -0.634 1.00 0.00 H new ATOM 0 HE2 TYR B 7 -14.633 -4.222 -2.034 1.00 0.00 H new ATOM 0 HH TYR B 7 -16.765 -4.823 -1.729 1.00 0.00 H new ATOM 648 N PRO B 8 -8.796 -7.955 -3.017 1.00 0.00 N ATOM 649 CA PRO B 8 -7.368 -7.935 -3.279 1.00 0.00 C ATOM 650 C PRO B 8 -6.662 -6.998 -2.297 1.00 0.00 C ATOM 651 O PRO B 8 -7.290 -6.359 -1.448 1.00 0.00 O ATOM 652 CB PRO B 8 -7.231 -7.479 -4.734 1.00 0.00 C ATOM 653 CG PRO B 8 -8.441 -6.572 -4.920 1.00 0.00 C ATOM 654 CD PRO B 8 -9.506 -7.277 -4.089 1.00 0.00 C ATOM 0 HA PRO B 8 -6.898 -8.909 -3.140 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -6.296 -6.945 -4.904 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -7.247 -8.322 -5.425 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -8.250 -5.560 -4.562 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -8.731 -6.490 -5.968 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -10.225 -6.562 -3.689 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -10.067 -7.988 -4.696 1.00 0.00 H new ATOM 662 N GLY B 9 -5.347 -6.891 -2.433 1.00 0.00 N ATOM 663 CA GLY B 9 -4.509 -6.052 -1.603 1.00 0.00 C ATOM 664 C GLY B 9 -3.444 -5.393 -2.458 1.00 0.00 C ATOM 665 O GLY B 9 -3.704 -5.071 -3.620 1.00 0.00 O ATOM 0 H GLY B 9 -4.824 -7.402 -3.145 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -5.114 -5.292 -1.108 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -4.043 -6.649 -0.819 1.00 0.00 H new TER 669 GLY B 9 ATOM 670 N PRO D 11 7.337 -7.005 -8.756 1.00 0.00 N ATOM 671 CA PRO D 11 8.633 -6.490 -8.332 1.00 0.00 C ATOM 672 C PRO D 11 8.459 -5.157 -7.608 1.00 0.00 C ATOM 673 O PRO D 11 7.503 -4.430 -7.885 1.00 0.00 O ATOM 674 CB PRO D 11 9.428 -6.290 -9.623 1.00 0.00 C ATOM 675 CG PRO D 11 8.355 -6.017 -10.668 1.00 0.00 C ATOM 676 CD PRO D 11 7.160 -6.830 -10.185 1.00 0.00 C ATOM 0 HA PRO D 11 9.137 -7.168 -7.643 1.00 0.00 H new ATOM 0 HB2 PRO D 11 10.126 -5.457 -9.539 1.00 0.00 H new ATOM 0 HB3 PRO D 11 10.015 -7.174 -9.873 1.00 0.00 H new ATOM 0 HG2 PRO D 11 8.118 -4.955 -10.729 1.00 0.00 H new ATOM 0 HG3 PRO D 11 8.676 -6.330 -11.662 1.00 0.00 H new ATOM 0 HD2 PRO D 11 6.225 -6.313 -10.400 1.00 0.00 H new ATOM 0 HD3 PRO D 11 7.115 -7.794 -10.692 1.00 0.00 H new ATOM 684 N VAL D 12 9.452 -4.758 -6.806 1.00 0.00 N ATOM 685 CA VAL D 12 9.394 -3.492 -6.076 1.00 0.00 C ATOM 686 C VAL D 12 9.280 -2.295 -7.025 1.00 0.00 C ATOM 687 O VAL D 12 8.591 -1.338 -6.692 1.00 0.00 O ATOM 688 CB VAL D 12 10.586 -3.326 -5.108 1.00 0.00 C ATOM 689 CG1 VAL D 12 10.429 -4.240 -3.889 1.00 0.00 C ATOM 690 CG2 VAL D 12 11.962 -3.579 -5.748 1.00 0.00 C ATOM 0 H VAL D 12 10.304 -5.295 -6.648 1.00 0.00 H new ATOM 0 HA VAL D 12 8.488 -3.521 -5.471 1.00 0.00 H new ATOM 0 HB VAL D 12 10.562 -2.278 -4.810 1.00 0.00 H new ATOM 0 HG11 VAL D 12 11.280 -4.106 -3.222 1.00 0.00 H new ATOM 0 HG12 VAL D 12 9.510 -3.987 -3.360 1.00 0.00 H new ATOM 0 HG13 VAL D 12 10.385 -5.279 -4.216 1.00 0.00 H new ATOM 0 HG21 VAL D 12 12.742 -3.441 -4.999 1.00 0.00 H new ATOM 0 HG22 VAL D 12 12.003 -4.598 -6.132 1.00 0.00 H new ATOM 0 HG23 VAL D 12 12.117 -2.877 -6.567 1.00 0.00 H new ATOM 700 N GLU D 13 9.867 -2.352 -8.224 1.00 0.00 N ATOM 701 CA GLU D 13 9.797 -1.240 -9.162 1.00 0.00 C ATOM 702 C GLU D 13 8.357 -1.019 -9.640 1.00 0.00 C ATOM 703 O GLU D 13 7.899 0.126 -9.685 1.00 0.00 O ATOM 704 CB GLU D 13 10.780 -1.478 -10.314 1.00 0.00 C ATOM 705 CG GLU D 13 10.983 -0.169 -11.081 1.00 0.00 C ATOM 706 CD GLU D 13 11.886 -0.329 -12.297 1.00 0.00 C ATOM 707 OE1 GLU D 13 13.036 -0.802 -12.144 1.00 0.00 O ATOM 708 OE2 GLU D 13 11.472 0.104 -13.398 1.00 0.00 O ATOM 0 H GLU D 13 10.394 -3.157 -8.563 1.00 0.00 H new ATOM 0 HA GLU D 13 10.094 -0.318 -8.663 1.00 0.00 H new ATOM 0 HB2 GLU D 13 11.733 -1.838 -9.926 1.00 0.00 H new ATOM 0 HB3 GLU D 13 10.396 -2.249 -10.982 1.00 0.00 H new ATOM 0 HG2 GLU D 13 10.014 0.212 -11.402 1.00 0.00 H new ATOM 0 HG3 GLU D 13 11.413 0.576 -10.411 1.00 0.00 H new ATOM 715 N ASP D 14 7.656 -2.088 -10.033 1.00 0.00 N ATOM 716 CA ASP D 14 6.265 -1.985 -10.480 1.00 0.00 C ATOM 717 C ASP D 14 5.400 -1.609 -9.275 1.00 0.00 C ATOM 718 O ASP D 14 4.455 -0.838 -9.415 1.00 0.00 O ATOM 719 CB ASP D 14 5.793 -3.304 -11.111 1.00 0.00 C ATOM 720 CG ASP D 14 4.360 -3.245 -11.649 1.00 0.00 C ATOM 721 OD1 ASP D 14 4.029 -2.303 -12.397 1.00 0.00 O ATOM 722 OD2 ASP D 14 3.657 -4.286 -11.595 1.00 0.00 O ATOM 0 H ASP D 14 8.031 -3.036 -10.050 1.00 0.00 H new ATOM 0 HA ASP D 14 6.178 -1.216 -11.248 1.00 0.00 H new ATOM 0 HB2 ASP D 14 6.468 -3.570 -11.925 1.00 0.00 H new ATOM 0 HB3 ASP D 14 5.861 -4.098 -10.368 1.00 0.00 H new ATOM 727 N LEU D 15 5.778 -2.067 -8.072 1.00 0.00 N ATOM 728 CA LEU D 15 5.084 -1.794 -6.817 1.00 0.00 C ATOM 729 C LEU D 15 5.099 -0.298 -6.499 1.00 0.00 C ATOM 730 O LEU D 15 4.139 0.164 -5.898 1.00 0.00 O ATOM 731 CB LEU D 15 5.700 -2.591 -5.654 1.00 0.00 C ATOM 732 CG LEU D 15 4.706 -2.808 -4.495 1.00 0.00 C ATOM 733 CD1 LEU D 15 3.804 -4.023 -4.763 1.00 0.00 C ATOM 734 CD2 LEU D 15 5.456 -3.050 -3.187 1.00 0.00 C ATOM 0 H LEU D 15 6.602 -2.656 -7.948 1.00 0.00 H new ATOM 0 HA LEU D 15 4.049 -2.113 -6.939 1.00 0.00 H new ATOM 0 HB2 LEU D 15 6.041 -3.559 -6.022 1.00 0.00 H new ATOM 0 HB3 LEU D 15 6.578 -2.064 -5.281 1.00 0.00 H new ATOM 0 HG LEU D 15 4.095 -1.908 -4.418 1.00 0.00 H new ATOM 0 HD11 LEU D 15 3.113 -4.154 -3.930 1.00 0.00 H new ATOM 0 HD12 LEU D 15 3.240 -3.862 -5.681 1.00 0.00 H new ATOM 0 HD13 LEU D 15 4.419 -4.917 -4.867 1.00 0.00 H new ATOM 0 HD21 LEU D 15 4.740 -3.201 -2.379 1.00 0.00 H new ATOM 0 HD22 LEU D 15 6.084 -3.936 -3.286 1.00 0.00 H new ATOM 0 HD23 LEU D 15 6.081 -2.186 -2.961 1.00 0.00 H new ATOM 746 N ILE D 16 6.127 0.465 -6.892 1.00 0.00 N ATOM 747 CA ILE D 16 6.199 1.911 -6.640 1.00 0.00 C ATOM 748 C ILE D 16 5.070 2.591 -7.413 1.00 0.00 C ATOM 749 O ILE D 16 4.305 3.371 -6.838 1.00 0.00 O ATOM 750 CB ILE D 16 7.569 2.491 -7.075 1.00 0.00 C ATOM 751 CG1 ILE D 16 8.706 1.968 -6.175 1.00 0.00 C ATOM 752 CG2 ILE D 16 7.609 4.037 -7.068 1.00 0.00 C ATOM 753 CD1 ILE D 16 10.087 2.090 -6.835 1.00 0.00 C ATOM 0 H ILE D 16 6.934 0.097 -7.395 1.00 0.00 H new ATOM 0 HA ILE D 16 6.092 2.095 -5.571 1.00 0.00 H new ATOM 0 HB ILE D 16 7.711 2.153 -8.101 1.00 0.00 H new ATOM 0 HG12 ILE D 16 8.706 2.523 -5.237 1.00 0.00 H new ATOM 0 HG13 ILE D 16 8.517 0.923 -5.928 1.00 0.00 H new ATOM 0 HG21 ILE D 16 8.596 4.377 -7.382 1.00 0.00 H new ATOM 0 HG22 ILE D 16 6.856 4.424 -7.755 1.00 0.00 H new ATOM 0 HG23 ILE D 16 7.403 4.402 -6.062 1.00 0.00 H new ATOM 0 HD11 ILE D 16 10.850 1.707 -6.157 1.00 0.00 H new ATOM 0 HD12 ILE D 16 10.101 1.513 -7.760 1.00 0.00 H new ATOM 0 HD13 ILE D 16 10.293 3.137 -7.058 1.00 0.00 H new ATOM 765 N ARG D 17 5.038 2.368 -8.729 1.00 0.00 N ATOM 766 CA ARG D 17 4.044 2.944 -9.623 1.00 0.00 C ATOM 767 C ARG D 17 2.653 2.504 -9.188 1.00 0.00 C ATOM 768 O ARG D 17 1.769 3.332 -8.991 1.00 0.00 O ATOM 769 CB ARG D 17 4.354 2.510 -11.068 1.00 0.00 C ATOM 770 CG ARG D 17 4.262 3.651 -12.083 1.00 0.00 C ATOM 771 CD ARG D 17 5.457 4.600 -11.941 1.00 0.00 C ATOM 772 NE ARG D 17 5.476 5.588 -13.030 1.00 0.00 N ATOM 773 CZ ARG D 17 6.494 5.836 -13.864 1.00 0.00 C ATOM 774 NH1 ARG D 17 7.649 5.179 -13.759 1.00 0.00 N ATOM 775 NH2 ARG D 17 6.367 6.773 -14.797 1.00 0.00 N ATOM 0 H ARG D 17 5.715 1.772 -9.206 1.00 0.00 H new ATOM 0 HA ARG D 17 4.077 4.033 -9.580 1.00 0.00 H new ATOM 0 HB2 ARG D 17 5.356 2.083 -11.103 1.00 0.00 H new ATOM 0 HB3 ARG D 17 3.661 1.720 -11.358 1.00 0.00 H new ATOM 0 HG2 ARG D 17 4.233 3.244 -13.094 1.00 0.00 H new ATOM 0 HG3 ARG D 17 3.334 4.203 -11.935 1.00 0.00 H new ATOM 0 HD2 ARG D 17 5.407 5.113 -10.980 1.00 0.00 H new ATOM 0 HD3 ARG D 17 6.384 4.027 -11.948 1.00 0.00 H new ATOM 0 HE ARG D 17 4.629 6.140 -13.164 1.00 0.00 H new ATOM 0 HH11 ARG D 17 7.770 4.472 -13.033 1.00 0.00 H new ATOM 0 HH12 ARG D 17 8.412 5.383 -14.404 1.00 0.00 H new ATOM 0 HH21 ARG D 17 5.497 7.300 -14.876 1.00 0.00 H new ATOM 0 HH22 ARG D 17 7.139 6.966 -15.435 1.00 0.00 H new ATOM 789 N PHE D 18 2.498 1.206 -8.946 1.00 0.00 N ATOM 790 CA PHE D 18 1.260 0.597 -8.514 1.00 0.00 C ATOM 791 C PHE D 18 0.782 1.205 -7.200 1.00 0.00 C ATOM 792 O PHE D 18 -0.378 1.578 -7.123 1.00 0.00 O ATOM 793 CB PHE D 18 1.481 -0.908 -8.387 1.00 0.00 C ATOM 794 CG PHE D 18 0.438 -1.632 -7.575 1.00 0.00 C ATOM 795 CD1 PHE D 18 -0.918 -1.619 -7.950 1.00 0.00 C ATOM 796 CD2 PHE D 18 0.834 -2.280 -6.396 1.00 0.00 C ATOM 797 CE1 PHE D 18 -1.869 -2.285 -7.161 1.00 0.00 C ATOM 798 CE2 PHE D 18 -0.110 -2.952 -5.614 1.00 0.00 C ATOM 799 CZ PHE D 18 -1.461 -2.960 -5.999 1.00 0.00 C ATOM 0 H PHE D 18 3.259 0.534 -9.051 1.00 0.00 H new ATOM 0 HA PHE D 18 0.478 0.786 -9.249 1.00 0.00 H new ATOM 0 HB2 PHE D 18 1.510 -1.343 -9.386 1.00 0.00 H new ATOM 0 HB3 PHE D 18 2.458 -1.081 -7.936 1.00 0.00 H new ATOM 0 HD1 PHE D 18 -1.227 -1.097 -8.844 1.00 0.00 H new ATOM 0 HD2 PHE D 18 1.870 -2.260 -6.092 1.00 0.00 H new ATOM 0 HE1 PHE D 18 -2.911 -2.278 -7.446 1.00 0.00 H new ATOM 0 HE2 PHE D 18 0.199 -3.464 -4.715 1.00 0.00 H new ATOM 0 HZ PHE D 18 -2.188 -3.487 -5.399 1.00 0.00 H new ATOM 809 N TYR D 19 1.642 1.332 -6.183 1.00 0.00 N ATOM 810 CA TYR D 19 1.302 1.895 -4.875 1.00 0.00 C ATOM 811 C TYR D 19 0.696 3.291 -5.009 1.00 0.00 C ATOM 812 O TYR D 19 -0.139 3.696 -4.202 1.00 0.00 O ATOM 813 CB TYR D 19 2.551 1.946 -3.987 1.00 0.00 C ATOM 814 CG TYR D 19 2.348 2.640 -2.656 1.00 0.00 C ATOM 815 CD1 TYR D 19 1.854 1.920 -1.553 1.00 0.00 C ATOM 816 CD2 TYR D 19 2.667 4.004 -2.523 1.00 0.00 C ATOM 817 CE1 TYR D 19 1.660 2.571 -0.322 1.00 0.00 C ATOM 818 CE2 TYR D 19 2.485 4.656 -1.294 1.00 0.00 C ATOM 819 CZ TYR D 19 1.971 3.943 -0.189 1.00 0.00 C ATOM 820 OH TYR D 19 1.771 4.582 0.995 1.00 0.00 O ATOM 0 H TYR D 19 2.617 1.039 -6.250 1.00 0.00 H new ATOM 0 HA TYR D 19 0.555 1.249 -4.413 1.00 0.00 H new ATOM 0 HB2 TYR D 19 2.892 0.927 -3.803 1.00 0.00 H new ATOM 0 HB3 TYR D 19 3.347 2.455 -4.530 1.00 0.00 H new ATOM 0 HD1 TYR D 19 1.624 0.869 -1.652 1.00 0.00 H new ATOM 0 HD2 TYR D 19 3.053 4.551 -3.370 1.00 0.00 H new ATOM 0 HE1 TYR D 19 1.273 2.022 0.523 1.00 0.00 H new ATOM 0 HE2 TYR D 19 2.738 5.701 -1.193 1.00 0.00 H new ATOM 0 HH TYR D 19 2.039 5.521 0.910 1.00 0.00 H new ATOM 830 N ASN D 20 1.155 4.054 -5.997 1.00 0.00 N ATOM 831 CA ASN D 20 0.643 5.386 -6.227 1.00 0.00 C ATOM 832 C ASN D 20 -0.822 5.295 -6.648 1.00 0.00 C ATOM 833 O ASN D 20 -1.651 5.928 -6.000 1.00 0.00 O ATOM 834 CB ASN D 20 1.526 6.074 -7.270 1.00 0.00 C ATOM 835 CG ASN D 20 1.262 7.561 -7.375 1.00 0.00 C ATOM 836 OD1 ASN D 20 0.123 7.993 -7.501 1.00 0.00 O ATOM 837 ND2 ASN D 20 2.306 8.368 -7.433 1.00 0.00 N ATOM 0 H ASN D 20 1.884 3.764 -6.649 1.00 0.00 H new ATOM 0 HA ASN D 20 0.675 5.990 -5.320 1.00 0.00 H new ATOM 0 HB2 ASN D 20 2.574 5.913 -7.015 1.00 0.00 H new ATOM 0 HB3 ASN D 20 1.360 5.611 -8.243 1.00 0.00 H new ATOM 0 HD21 ASN D 20 2.170 9.367 -7.585 1.00 0.00 H new ATOM 0 HD22 ASN D 20 3.248 7.992 -7.326 1.00 0.00 H new ATOM 844 N ASP D 21 -1.154 4.479 -7.654 1.00 0.00 N ATOM 845 CA ASP D 21 -2.534 4.315 -8.126 1.00 0.00 C ATOM 846 C ASP D 21 -3.387 3.515 -7.134 1.00 0.00 C ATOM 847 O ASP D 21 -4.588 3.754 -7.043 1.00 0.00 O ATOM 848 CB ASP D 21 -2.553 3.652 -9.512 1.00 0.00 C ATOM 849 CG ASP D 21 -3.973 3.486 -10.084 1.00 0.00 C ATOM 850 OD1 ASP D 21 -4.645 4.513 -10.340 1.00 0.00 O ATOM 851 OD2 ASP D 21 -4.239 2.400 -10.652 1.00 0.00 O ATOM 0 H ASP D 21 -0.475 3.914 -8.164 1.00 0.00 H new ATOM 0 HA ASP D 21 -2.973 5.309 -8.205 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -1.958 4.250 -10.202 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -2.078 2.673 -9.446 1.00 0.00 H new ATOM 856 N LEU D 22 -2.776 2.658 -6.306 1.00 0.00 N ATOM 857 CA LEU D 22 -3.391 1.807 -5.277 1.00 0.00 C ATOM 858 C LEU D 22 -4.179 2.644 -4.264 1.00 0.00 C ATOM 859 O LEU D 22 -5.126 2.161 -3.636 1.00 0.00 O ATOM 860 CB LEU D 22 -2.275 1.001 -4.587 1.00 0.00 C ATOM 861 CG LEU D 22 -2.693 0.121 -3.399 1.00 0.00 C ATOM 862 CD1 LEU D 22 -3.731 -0.926 -3.793 1.00 0.00 C ATOM 863 CD2 LEU D 22 -1.460 -0.603 -2.847 1.00 0.00 C ATOM 0 H LEU D 22 -1.764 2.531 -6.340 1.00 0.00 H new ATOM 0 HA LEU D 22 -4.104 1.125 -5.741 1.00 0.00 H new ATOM 0 HB2 LEU D 22 -1.805 0.362 -5.335 1.00 0.00 H new ATOM 0 HB3 LEU D 22 -1.514 1.701 -4.241 1.00 0.00 H new ATOM 0 HG LEU D 22 -3.136 0.776 -2.649 1.00 0.00 H new ATOM 0 HD11 LEU D 22 -3.995 -1.523 -2.920 1.00 0.00 H new ATOM 0 HD12 LEU D 22 -4.622 -0.429 -4.175 1.00 0.00 H new ATOM 0 HD13 LEU D 22 -3.318 -1.575 -4.565 1.00 0.00 H new ATOM 0 HD21 LEU D 22 -1.753 -1.229 -2.004 1.00 0.00 H new ATOM 0 HD22 LEU D 22 -1.024 -1.227 -3.628 1.00 0.00 H new ATOM 0 HD23 LEU D 22 -0.725 0.131 -2.517 1.00 0.00 H new ATOM 875 N GLN D 23 -3.815 3.922 -4.135 1.00 0.00 N ATOM 876 CA GLN D 23 -4.456 4.876 -3.250 1.00 0.00 C ATOM 877 C GLN D 23 -5.946 4.983 -3.597 1.00 0.00 C ATOM 878 O GLN D 23 -6.769 5.222 -2.714 1.00 0.00 O ATOM 879 CB GLN D 23 -3.701 6.217 -3.368 1.00 0.00 C ATOM 880 CG GLN D 23 -4.039 7.103 -4.590 1.00 0.00 C ATOM 881 CD GLN D 23 -5.321 7.941 -4.543 1.00 0.00 C ATOM 882 OE1 GLN D 23 -5.696 8.529 -5.548 1.00 0.00 O ATOM 883 NE2 GLN D 23 -5.848 8.298 -3.379 1.00 0.00 N ATOM 0 H GLN D 23 -3.042 4.326 -4.663 1.00 0.00 H new ATOM 0 HA GLN D 23 -4.410 4.556 -2.209 1.00 0.00 H new ATOM 0 HB2 GLN D 23 -3.894 6.796 -2.465 1.00 0.00 H new ATOM 0 HB3 GLN D 23 -2.632 6.004 -3.388 1.00 0.00 H new ATOM 0 HG2 GLN D 23 -3.202 7.783 -4.750 1.00 0.00 H new ATOM 0 HG3 GLN D 23 -4.096 6.456 -5.465 1.00 0.00 H new ATOM 0 HE21 GLN D 23 -5.557 7.828 -2.522 1.00 0.00 H new ATOM 0 HE22 GLN D 23 -6.544 9.043 -3.341 1.00 0.00 H new ATOM 892 N GLN D 24 -6.278 4.817 -4.884 1.00 0.00 N ATOM 893 CA GLN D 24 -7.623 4.882 -5.418 1.00 0.00 C ATOM 894 C GLN D 24 -8.433 3.671 -4.946 1.00 0.00 C ATOM 895 O GLN D 24 -9.526 3.874 -4.433 1.00 0.00 O ATOM 896 CB GLN D 24 -7.566 5.032 -6.952 1.00 0.00 C ATOM 897 CG GLN D 24 -8.555 6.076 -7.480 1.00 0.00 C ATOM 898 CD GLN D 24 -10.009 5.651 -7.330 1.00 0.00 C ATOM 899 OE1 GLN D 24 -10.502 4.798 -8.071 1.00 0.00 O ATOM 900 NE2 GLN D 24 -10.756 6.290 -6.452 1.00 0.00 N ATOM 0 H GLN D 24 -5.579 4.626 -5.602 1.00 0.00 H new ATOM 0 HA GLN D 24 -8.143 5.762 -5.039 1.00 0.00 H new ATOM 0 HB2 GLN D 24 -6.555 5.312 -7.248 1.00 0.00 H new ATOM 0 HB3 GLN D 24 -7.779 4.069 -7.416 1.00 0.00 H new ATOM 0 HG2 GLN D 24 -8.401 7.015 -6.949 1.00 0.00 H new ATOM 0 HG3 GLN D 24 -8.345 6.267 -8.532 1.00 0.00 H new ATOM 0 HE21 GLN D 24 -10.338 6.994 -5.843 1.00 0.00 H new ATOM 0 HE22 GLN D 24 -11.752 6.080 -6.381 1.00 0.00 H new ATOM 909 N TYR D 25 -7.900 2.443 -5.023 1.00 0.00 N ATOM 910 CA TYR D 25 -8.589 1.227 -4.586 1.00 0.00 C ATOM 911 C TYR D 25 -8.930 1.350 -3.101 1.00 0.00 C ATOM 912 O TYR D 25 -10.087 1.163 -2.717 1.00 0.00 O ATOM 913 CB TYR D 25 -7.753 -0.030 -4.879 1.00 0.00 C ATOM 914 CG TYR D 25 -8.169 -1.293 -4.134 1.00 0.00 C ATOM 915 CD1 TYR D 25 -9.528 -1.597 -3.903 1.00 0.00 C ATOM 916 CD2 TYR D 25 -7.181 -2.178 -3.658 1.00 0.00 C ATOM 917 CE1 TYR D 25 -9.886 -2.727 -3.151 1.00 0.00 C ATOM 918 CE2 TYR D 25 -7.527 -3.305 -2.895 1.00 0.00 C ATOM 919 CZ TYR D 25 -8.886 -3.565 -2.617 1.00 0.00 C ATOM 920 OH TYR D 25 -9.242 -4.602 -1.819 1.00 0.00 O ATOM 0 H TYR D 25 -6.967 2.268 -5.396 1.00 0.00 H new ATOM 0 HA TYR D 25 -9.515 1.118 -5.151 1.00 0.00 H new ATOM 0 HB2 TYR D 25 -7.797 -0.231 -5.949 1.00 0.00 H new ATOM 0 HB3 TYR D 25 -6.712 0.185 -4.638 1.00 0.00 H new ATOM 0 HD1 TYR D 25 -10.297 -0.956 -4.307 1.00 0.00 H new ATOM 0 HD2 TYR D 25 -6.142 -1.987 -3.883 1.00 0.00 H new ATOM 0 HE1 TYR D 25 -10.928 -2.955 -2.981 1.00 0.00 H new ATOM 0 HE2 TYR D 25 -6.759 -3.968 -2.524 1.00 0.00 H new ATOM 0 HH TYR D 25 -8.564 -5.307 -1.877 1.00 0.00 H new ATOM 930 N LEU D 26 -7.965 1.742 -2.260 1.00 0.00 N ATOM 931 CA LEU D 26 -8.198 1.901 -0.825 1.00 0.00 C ATOM 932 C LEU D 26 -9.317 2.929 -0.590 1.00 0.00 C ATOM 933 O LEU D 26 -10.152 2.768 0.308 1.00 0.00 O ATOM 934 CB LEU D 26 -6.867 2.253 -0.132 1.00 0.00 C ATOM 935 CG LEU D 26 -6.730 1.562 1.235 1.00 0.00 C ATOM 936 CD1 LEU D 26 -5.262 1.421 1.649 1.00 0.00 C ATOM 937 CD2 LEU D 26 -7.512 2.276 2.344 1.00 0.00 C ATOM 0 H LEU D 26 -7.012 1.955 -2.554 1.00 0.00 H new ATOM 0 HA LEU D 26 -8.546 0.970 -0.378 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -6.036 1.958 -0.772 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -6.801 3.333 -0.001 1.00 0.00 H new ATOM 0 HG LEU D 26 -7.163 0.570 1.109 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -5.203 0.929 2.620 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -4.730 0.825 0.907 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -4.806 2.409 1.715 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -7.377 1.743 3.285 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -7.144 3.297 2.449 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -8.571 2.297 2.087 1.00 0.00 H new ATOM 949 N ASN D 27 -9.414 3.925 -1.478 1.00 0.00 N ATOM 950 CA ASN D 27 -10.426 4.972 -1.447 1.00 0.00 C ATOM 951 C ASN D 27 -11.814 4.397 -1.738 1.00 0.00 C ATOM 952 O ASN D 27 -12.794 4.896 -1.185 1.00 0.00 O ATOM 953 CB ASN D 27 -10.101 6.071 -2.468 1.00 0.00 C ATOM 954 CG ASN D 27 -10.175 7.443 -1.843 1.00 0.00 C ATOM 955 OD1 ASN D 27 -9.036 7.986 -1.453 1.00 0.00 O flip ATOM 956 ND2 ASN D 27 -11.246 8.035 -1.757 1.00 0.00 N flip ATOM 0 H ASN D 27 -8.767 4.022 -2.260 1.00 0.00 H new ATOM 0 HA ASN D 27 -10.426 5.404 -0.446 1.00 0.00 H new ATOM 0 HB2 ASN D 27 -9.103 5.908 -2.875 1.00 0.00 H new ATOM 0 HB3 ASN D 27 -10.799 6.012 -3.303 1.00 0.00 H new ATOM 0 HD21 ASN D 27 -12.105 7.583 -2.069 1.00 0.00 H new ATOM 0 HD22 ASN D 27 -11.277 8.980 -1.374 1.00 0.00 H new ATOM 963 N VAL D 28 -11.918 3.370 -2.593 1.00 0.00 N ATOM 964 CA VAL D 28 -13.177 2.715 -2.946 1.00 0.00 C ATOM 965 C VAL D 28 -13.714 1.992 -1.720 1.00 0.00 C ATOM 966 O VAL D 28 -14.869 2.187 -1.345 1.00 0.00 O ATOM 967 CB VAL D 28 -13.015 1.674 -4.081 1.00 0.00 C ATOM 968 CG1 VAL D 28 -14.392 1.174 -4.529 1.00 0.00 C ATOM 969 CG2 VAL D 28 -12.270 2.203 -5.300 1.00 0.00 C ATOM 0 H VAL D 28 -11.110 2.966 -3.066 1.00 0.00 H new ATOM 0 HA VAL D 28 -13.857 3.492 -3.295 1.00 0.00 H new ATOM 0 HB VAL D 28 -12.415 0.866 -3.662 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -14.271 0.442 -5.328 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -14.903 0.710 -3.685 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -14.983 2.014 -4.893 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -12.197 1.417 -6.051 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -12.811 3.053 -5.716 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -11.269 2.518 -5.006 1.00 0.00 H new ATOM 979 N VAL D 29 -12.875 1.147 -1.114 1.00 0.00 N ATOM 980 CA VAL D 29 -13.204 0.351 0.058 1.00 0.00 C ATOM 981 C VAL D 29 -13.771 1.268 1.137 1.00 0.00 C ATOM 982 O VAL D 29 -14.922 1.103 1.549 1.00 0.00 O ATOM 983 CB VAL D 29 -11.952 -0.425 0.524 1.00 0.00 C ATOM 984 CG1 VAL D 29 -12.250 -1.317 1.733 1.00 0.00 C ATOM 985 CG2 VAL D 29 -11.401 -1.341 -0.578 1.00 0.00 C ATOM 0 H VAL D 29 -11.920 0.998 -1.440 1.00 0.00 H new ATOM 0 HA VAL D 29 -13.968 -0.391 -0.175 1.00 0.00 H new ATOM 0 HB VAL D 29 -11.221 0.341 0.784 1.00 0.00 H new ATOM 0 HG11 VAL D 29 -11.343 -1.845 2.028 1.00 0.00 H new ATOM 0 HG12 VAL D 29 -12.598 -0.701 2.562 1.00 0.00 H new ATOM 0 HG13 VAL D 29 -13.021 -2.041 1.470 1.00 0.00 H new ATOM 0 HG21 VAL D 29 -10.521 -1.867 -0.208 1.00 0.00 H new ATOM 0 HG22 VAL D 29 -12.164 -2.065 -0.864 1.00 0.00 H new ATOM 0 HG23 VAL D 29 -11.126 -0.741 -1.446 1.00 0.00 H new ATOM 995 N THR D 30 -13.013 2.302 1.495 1.00 0.00 N ATOM 996 CA THR D 30 -13.401 3.265 2.514 1.00 0.00 C ATOM 997 C THR D 30 -14.480 4.244 2.082 1.00 0.00 C ATOM 998 O THR D 30 -15.085 4.911 2.921 1.00 0.00 O ATOM 999 CB THR D 30 -12.151 4.052 2.940 1.00 0.00 C ATOM 1000 OG1 THR D 30 -11.522 4.632 1.810 1.00 0.00 O ATOM 1001 CG2 THR D 30 -11.140 3.157 3.649 1.00 0.00 C ATOM 0 H THR D 30 -12.102 2.494 1.079 1.00 0.00 H new ATOM 0 HA THR D 30 -13.830 2.691 3.335 1.00 0.00 H new ATOM 0 HB THR D 30 -12.482 4.830 3.628 1.00 0.00 H new ATOM 0 HG1 THR D 30 -10.933 3.972 1.389 1.00 0.00 H new ATOM 0 HG21 THR D 30 -10.270 3.747 3.936 1.00 0.00 H new ATOM 0 HG22 THR D 30 -11.597 2.727 4.541 1.00 0.00 H new ATOM 0 HG23 THR D 30 -10.830 2.356 2.978 1.00 0.00 H new ATOM 1009 N ARG D 31 -14.769 4.296 0.788 1.00 0.00 N ATOM 1010 CA ARG D 31 -15.734 5.205 0.164 1.00 0.00 C ATOM 1011 C ARG D 31 -15.371 6.635 0.575 1.00 0.00 C ATOM 1012 O ARG D 31 -16.227 7.436 0.941 1.00 0.00 O ATOM 1013 CB ARG D 31 -17.149 4.759 0.535 1.00 0.00 C ATOM 1014 CG ARG D 31 -18.244 5.351 -0.349 1.00 0.00 C ATOM 1015 CD ARG D 31 -19.546 4.592 -0.068 1.00 0.00 C ATOM 1016 NE ARG D 31 -20.595 4.962 -1.023 1.00 0.00 N ATOM 1017 CZ ARG D 31 -20.685 4.552 -2.290 1.00 0.00 C ATOM 1018 NH1 ARG D 31 -19.782 3.711 -2.791 1.00 0.00 N ATOM 1019 NH2 ARG D 31 -21.695 4.960 -3.045 1.00 0.00 N ATOM 0 H ARG D 31 -14.319 3.680 0.111 1.00 0.00 H new ATOM 0 HA ARG D 31 -15.700 5.180 -0.925 1.00 0.00 H new ATOM 0 HB2 ARG D 31 -17.201 3.672 0.480 1.00 0.00 H new ATOM 0 HB3 ARG D 31 -17.345 5.035 1.571 1.00 0.00 H new ATOM 0 HG2 ARG D 31 -18.370 6.413 -0.139 1.00 0.00 H new ATOM 0 HG3 ARG D 31 -17.972 5.264 -1.401 1.00 0.00 H new ATOM 0 HD2 ARG D 31 -19.363 3.519 -0.123 1.00 0.00 H new ATOM 0 HD3 ARG D 31 -19.883 4.806 0.946 1.00 0.00 H new ATOM 0 HE ARG D 31 -21.324 5.592 -0.688 1.00 0.00 H new ATOM 0 HH11 ARG D 31 -19.016 3.377 -2.206 1.00 0.00 H new ATOM 0 HH12 ARG D 31 -19.856 3.401 -3.760 1.00 0.00 H new ATOM 0 HH21 ARG D 31 -22.401 5.586 -2.657 1.00 0.00 H new ATOM 0 HH22 ARG D 31 -21.766 4.648 -4.014 1.00 0.00 H new ATOM 1033 N HIS D 32 -14.061 6.908 0.603 1.00 0.00 N ATOM 1034 CA HIS D 32 -13.411 8.156 0.989 1.00 0.00 C ATOM 1035 C HIS D 32 -13.631 8.521 2.469 1.00 0.00 C ATOM 1036 O HIS D 32 -13.056 9.500 2.948 1.00 0.00 O ATOM 1037 CB HIS D 32 -13.804 9.305 0.045 1.00 0.00 C ATOM 1038 CG HIS D 32 -12.880 10.494 0.119 1.00 0.00 C ATOM 1039 ND1 HIS D 32 -11.520 10.451 0.254 1.00 0.00 N flip ATOM 1040 CD2 HIS D 32 -13.246 11.818 0.058 1.00 0.00 C flip ATOM 1041 CE1 HIS D 32 -11.046 11.764 0.258 1.00 0.00 C flip ATOM 1042 NE2 HIS D 32 -12.125 12.554 0.119 1.00 0.00 N flip ATOM 0 H HIS D 32 -13.377 6.201 0.333 1.00 0.00 H new ATOM 0 HA HIS D 32 -12.338 7.992 0.884 1.00 0.00 H new ATOM 0 HB2 HIS D 32 -13.821 8.932 -0.979 1.00 0.00 H new ATOM 0 HB3 HIS D 32 -14.817 9.628 0.283 1.00 0.00 H new ATOM 0 HD2 HIS D 32 -14.254 12.197 -0.024 1.00 0.00 H new ATOM 0 HE1 HIS D 32 -10.018 12.082 0.354 1.00 0.00 H new ATOM 0 HE2 HIS D 32 -12.096 13.572 0.067 1.00 0.00 H new ATOM 1050 N ARG D 33 -14.342 7.696 3.240 1.00 0.00 N ATOM 1051 CA ARG D 33 -14.669 7.873 4.651 1.00 0.00 C ATOM 1052 C ARG D 33 -13.499 7.490 5.563 1.00 0.00 C ATOM 1053 O ARG D 33 -13.630 6.625 6.431 1.00 0.00 O ATOM 1054 CB ARG D 33 -15.954 7.065 4.913 1.00 0.00 C ATOM 1055 CG ARG D 33 -16.826 7.672 6.013 1.00 0.00 C ATOM 1056 CD ARG D 33 -18.141 6.895 6.150 1.00 0.00 C ATOM 1057 NE ARG D 33 -18.937 6.981 4.912 1.00 0.00 N ATOM 1058 CZ ARG D 33 -19.783 6.073 4.421 1.00 0.00 C ATOM 1059 NH1 ARG D 33 -20.140 5.001 5.118 1.00 0.00 N ATOM 1060 NH2 ARG D 33 -20.301 6.282 3.218 1.00 0.00 N ATOM 0 H ARG D 33 -14.729 6.829 2.867 1.00 0.00 H new ATOM 0 HA ARG D 33 -14.849 8.922 4.887 1.00 0.00 H new ATOM 0 HB2 ARG D 33 -16.532 7.003 3.991 1.00 0.00 H new ATOM 0 HB3 ARG D 33 -15.686 6.046 5.190 1.00 0.00 H new ATOM 0 HG2 ARG D 33 -16.288 7.657 6.961 1.00 0.00 H new ATOM 0 HG3 ARG D 33 -17.037 8.716 5.783 1.00 0.00 H new ATOM 0 HD2 ARG D 33 -17.928 5.851 6.378 1.00 0.00 H new ATOM 0 HD3 ARG D 33 -18.717 7.293 6.985 1.00 0.00 H new ATOM 0 HE ARG D 33 -18.828 7.836 4.366 1.00 0.00 H new ATOM 0 HH11 ARG D 33 -19.766 4.854 6.055 1.00 0.00 H new ATOM 0 HH12 ARG D 33 -20.789 4.324 4.716 1.00 0.00 H new ATOM 0 HH21 ARG D 33 -20.050 7.120 2.693 1.00 0.00 H new ATOM 0 HH22 ARG D 33 -20.950 5.605 2.818 1.00 0.00 H new ATOM 1074 N TYR D 34 -12.315 8.030 5.274 1.00 0.00 N ATOM 1075 CA TYR D 34 -11.108 7.780 6.044 1.00 0.00 C ATOM 1076 C TYR D 34 -11.369 8.225 7.486 1.00 0.00 C ATOM 1077 O TYR D 34 -12.164 9.124 7.766 1.00 0.00 O ATOM 1078 CB TYR D 34 -9.909 8.541 5.443 1.00 0.00 C ATOM 1079 CG TYR D 34 -9.244 7.913 4.225 1.00 0.00 C ATOM 1080 CD1 TYR D 34 -9.978 7.629 3.058 1.00 0.00 C ATOM 1081 CD2 TYR D 34 -7.861 7.640 4.237 1.00 0.00 C ATOM 1082 CE1 TYR D 34 -9.359 7.036 1.946 1.00 0.00 C ATOM 1083 CE2 TYR D 34 -7.236 7.052 3.130 1.00 0.00 C ATOM 1084 CZ TYR D 34 -7.988 6.710 1.987 1.00 0.00 C ATOM 1085 OH TYR D 34 -7.398 6.070 0.939 1.00 0.00 O ATOM 0 H TYR D 34 -12.171 8.662 4.486 1.00 0.00 H new ATOM 0 HA TYR D 34 -10.860 6.719 6.020 1.00 0.00 H new ATOM 0 HB2 TYR D 34 -10.243 9.542 5.171 1.00 0.00 H new ATOM 0 HB3 TYR D 34 -9.155 8.657 6.221 1.00 0.00 H new ATOM 0 HD1 TYR D 34 -11.030 7.870 3.017 1.00 0.00 H new ATOM 0 HD2 TYR D 34 -7.276 7.887 5.111 1.00 0.00 H new ATOM 0 HE1 TYR D 34 -9.935 6.829 1.056 1.00 0.00 H new ATOM 0 HE2 TYR D 34 -6.173 6.860 3.152 1.00 0.00 H new ATOM 0 HH TYR D 34 -6.449 5.925 1.137 1.00 0.00 H new HETATM 1095 N NH2 D 35 -10.657 7.667 8.444 1.00 0.00 N TER 1098 NH2 D 35 HETATM 1099 N ZAB A 10 2.890 -5.725 2.826 1.00 0.00 N HETATM 1100 CA ZAB A 10 1.842 -4.865 3.363 1.00 0.00 C HETATM 1101 CB ZAB A 10 0.722 -5.683 3.971 1.00 0.00 C HETATM 1102 CG2 ZAB A 10 -0.398 -6.060 3.210 1.00 0.00 C HETATM 1103 CD2 ZAB A 10 -1.411 -6.846 3.792 1.00 0.00 C HETATM 1104 CE ZAB A 10 -1.298 -7.278 5.126 1.00 0.00 C HETATM 1105 CD1 ZAB A 10 -0.166 -6.913 5.877 1.00 0.00 C HETATM 1106 CG1 ZAB A 10 0.822 -6.102 5.309 1.00 0.00 C HETATM 1107 NG ZAB A 10 0.020 -7.360 7.172 1.00 0.00 N HETATM 1108 NI ZAB A 10 -0.723 -7.263 8.221 1.00 0.00 N HETATM 1109 CI ZAB A 10 -1.952 -6.659 8.368 1.00 0.00 C HETATM 1110 CJ2 ZAB A 10 -2.046 -5.274 8.589 1.00 0.00 C HETATM 1111 CK2 ZAB A 10 -3.316 -4.687 8.728 1.00 0.00 C HETATM 1112 CL ZAB A 10 -4.478 -5.474 8.617 1.00 0.00 C HETATM 1113 CK1 ZAB A 10 -4.377 -6.862 8.374 1.00 0.00 C HETATM 1114 CJ1 ZAB A 10 -3.104 -7.447 8.254 1.00 0.00 C HETATM 1115 CM ZAB A 10 -5.598 -7.761 8.264 1.00 0.00 C HETATM 1116 C ZAB A 10 -6.900 -7.076 7.851 1.00 0.00 C HETATM 1117 O ZAB A 10 -7.127 -6.912 6.647 1.00 0.00 O HETATM 0 HM3 ZAB A 10 -5.381 -8.549 7.543 1.00 0.00 H new HETATM 0 HM2 ZAB A 10 -5.756 -8.246 9.228 1.00 0.00 H new HETATM 0 HL ZAB A 10 -5.459 -5.011 8.719 1.00 0.00 H new HETATM 0 HK2 ZAB A 10 -3.401 -3.618 8.923 1.00 0.00 H new HETATM 0 HJ2 ZAB A 10 -1.146 -4.663 8.652 1.00 0.00 H new HETATM 0 HJ1 ZAB A 10 -3.014 -8.518 8.072 1.00 0.00 H new HETATM 0 HG2 ZAB A 10 -0.482 -5.744 2.170 1.00 0.00 H new HETATM 0 HG1 ZAB A 10 1.677 -5.792 5.909 1.00 0.00 H new HETATM 0 HE ZAB A 10 -2.081 -7.890 5.574 1.00 0.00 H new HETATM 0 HD2 ZAB A 10 -2.288 -7.121 3.206 1.00 0.00 H new HETATM 0 HA3 ZAB A 10 2.263 -4.202 4.119 1.00 0.00 H new HETATM 0 HA2 ZAB A 10 1.445 -4.232 2.569 1.00 0.00 H new HETATM 1131 N ZAB B 110 -2.236 -5.259 -1.909 1.00 0.00 N HETATM 1132 CA ZAB B 110 -1.104 -4.651 -2.579 1.00 0.00 C HETATM 1133 CB ZAB B 110 -0.335 -5.644 -3.430 1.00 0.00 C HETATM 1134 CG2 ZAB B 110 0.915 -6.114 -2.993 1.00 0.00 C HETATM 1135 CD2 ZAB B 110 1.694 -6.936 -3.817 1.00 0.00 C HETATM 1136 CE ZAB B 110 1.237 -7.290 -5.092 1.00 0.00 C HETATM 1137 CD1 ZAB B 110 -0.012 -6.824 -5.538 1.00 0.00 C HETATM 1138 CG1 ZAB B 110 -0.809 -6.021 -4.704 1.00 0.00 C HETATM 1139 NG ZAB B 110 -0.422 -7.069 -6.837 1.00 0.00 N HETATM 1140 NI ZAB B 110 0.219 -6.916 -7.951 1.00 0.00 N HETATM 1141 CI ZAB B 110 1.506 -6.451 -8.167 1.00 0.00 C HETATM 1142 CJ2 ZAB B 110 1.744 -5.072 -8.252 1.00 0.00 C HETATM 1143 CK2 ZAB B 110 3.060 -4.603 -8.402 1.00 0.00 C HETATM 1144 CL ZAB B 110 4.138 -5.506 -8.430 1.00 0.00 C HETATM 1145 CK1 ZAB B 110 3.902 -6.894 -8.340 1.00 0.00 C HETATM 1146 CJ1 ZAB B 110 2.575 -7.361 -8.226 1.00 0.00 C HETATM 1147 CM ZAB B 110 5.041 -7.905 -8.413 1.00 0.00 C HETATM 1148 C ZAB B 110 6.425 -7.491 -7.896 1.00 0.00 C HETATM 1149 O ZAB B 110 6.739 -7.790 -6.742 1.00 0.00 O HETATM 0 HM3 ZAB B 110 4.732 -8.792 -7.859 1.00 0.00 H new HETATM 0 HM2 ZAB B 110 5.153 -8.203 -9.455 1.00 0.00 H new HETATM 0 HL ZAB B 110 5.158 -5.133 -8.521 1.00 0.00 H new HETATM 0 HK2 ZAB B 110 3.247 -3.533 -8.497 1.00 0.00 H new HETATM 0 HJ2 ZAB B 110 0.913 -4.368 -8.202 1.00 0.00 H new HETATM 0 HJ1 ZAB B 110 2.379 -8.432 -8.184 1.00 0.00 H new HETATM 0 HG2 ZAB B 110 1.281 -5.837 -2.005 1.00 0.00 H new HETATM 0 HG1 ZAB B 110 -1.791 -5.690 -5.041 1.00 0.00 H new HETATM 0 HE ZAB B 110 1.847 -7.924 -5.736 1.00 0.00 H new HETATM 0 HD2 ZAB B 110 2.659 -7.301 -3.465 1.00 0.00 H new HETATM 0 HA3 ZAB B 110 -1.454 -3.832 -3.208 1.00 0.00 H new HETATM 0 HA2 ZAB B 110 -0.434 -4.218 -1.836 1.00 0.00 H new