USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 941 hydrogens (8 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: B 4 PTR HN2 : B 4 PTR N : B 3 ASP C :(H bumps) USER MOD NoAdj-H: B 4 PTR H : B 4 PTR N : B 3 ASP C :(H bumps) USER MOD Set 1.1: A 100 ASN : amide:sc= 0.426 K(o=1,f=-3.9!) USER MOD Set 1.2: A 104 SER OG : rot -144:sc= 0.59 USER MOD Set 2.1: A 83 TYR OH : rot 99:sc= -0.684! USER MOD Set 2.2: A 84 TYR OH : rot -80:sc= -3.93! USER MOD Set 3.1: A 43 ASN : amide:sc= -6.29! K(o=-8.8!,f=-0.47) USER MOD Set 3.2: A 44 SER OG : rot 180:sc= -2.5 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -1.09! USER MOD Single : A 6 HIS : no HD1:sc= -0.293 K(o=-0.29,f=-1) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.269 X(o=-0.27,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.129 USER MOD Single : A 17 THR OG1 : rot -127:sc= -4.38! USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 24 MET CE :methyl -91:sc= -0.191 (180deg=-1.03) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= -0.451 (180deg=-1.31!) USER MOD Single : A 40 ASN : amide:sc= -0.249 K(o=-0.25,f=-1.9) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0866 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -120:sc= -0.126 (180deg=-2.44) USER MOD Single : A 57 HIS : no HE2:sc= -3.88! C(o=-3.9!,f=-4.6!) USER MOD Single : A 58 CYS SG : rot 82:sc= -3.24! USER MOD Single : A 61 GLN : amide:sc= -5.15 K(o=-5.1,f=-12!) USER MOD Single : A 62 GLN : amide:sc= -3.18! K(o=-3.2!,f=-0.73) USER MOD Single : A 65 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.42) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 68 MET CE :methyl 157:sc= -0.301 (180deg=-0.925) USER MOD Single : A 71 ASN : amide:sc= -0.51 K(o=-0.51,f=-1.4) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0368) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -140:sc= -2.37 (180deg=-5.03!) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0583) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.851 X(o=-0.85,f=-0.91!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.011) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.948 23.588 10.972 1.00 0.00 N ATOM 2 CA GLY A 1 -13.533 24.205 9.680 1.00 0.00 C ATOM 3 C GLY A 1 -14.258 23.512 8.526 1.00 0.00 C ATOM 4 O GLY A 1 -14.999 24.128 7.786 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.454 24.060 11.756 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.975 23.696 11.094 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.704 22.577 10.968 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.766 25.270 9.682 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.454 24.115 9.552 1.00 0.00 H new ATOM 10 N SER A 2 -14.053 22.234 8.366 1.00 0.00 N ATOM 11 CA SER A 2 -14.731 21.503 7.258 1.00 0.00 C ATOM 12 C SER A 2 -14.148 20.093 7.141 1.00 0.00 C ATOM 13 O SER A 2 -13.135 19.892 6.503 1.00 0.00 O ATOM 14 CB SER A 2 -14.514 22.254 5.944 1.00 0.00 C ATOM 15 OG SER A 2 -13.385 23.109 6.073 1.00 0.00 O ATOM 0 H SER A 2 -13.445 21.664 8.954 1.00 0.00 H new ATOM 0 HA SER A 2 -15.799 21.437 7.468 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.358 21.547 5.129 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.400 22.838 5.695 1.00 0.00 H new ATOM 0 HG SER A 2 -13.242 23.591 5.232 1.00 0.00 H new ATOM 21 N PRO A 3 -14.814 19.161 7.768 1.00 0.00 N ATOM 22 CA PRO A 3 -14.438 17.724 7.796 1.00 0.00 C ATOM 23 C PRO A 3 -14.864 17.045 6.492 1.00 0.00 C ATOM 24 O PRO A 3 -15.987 17.178 6.049 1.00 0.00 O ATOM 25 CB PRO A 3 -15.194 17.126 8.980 1.00 0.00 C ATOM 26 CG PRO A 3 -16.390 18.048 9.230 1.00 0.00 C ATOM 27 CD PRO A 3 -16.057 19.387 8.557 1.00 0.00 C ATOM 0 HA PRO A 3 -13.361 17.586 7.896 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -15.524 16.111 8.759 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -14.555 17.069 9.861 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -17.302 17.621 8.814 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -16.559 18.182 10.298 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -16.873 19.711 7.912 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -15.908 20.170 9.301 1.00 0.00 H new ATOM 35 N GLY A 4 -13.975 16.316 5.874 1.00 0.00 N ATOM 36 CA GLY A 4 -14.329 15.629 4.600 1.00 0.00 C ATOM 37 C GLY A 4 -14.119 14.123 4.754 1.00 0.00 C ATOM 38 O GLY A 4 -13.020 13.660 4.985 1.00 0.00 O ATOM 0 H GLY A 4 -13.019 16.167 6.197 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.367 15.837 4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.713 16.011 3.786 1.00 0.00 H new ATOM 42 N ILE A 5 -15.165 13.352 4.629 1.00 0.00 N ATOM 43 CA ILE A 5 -15.024 11.875 4.769 1.00 0.00 C ATOM 44 C ILE A 5 -14.230 11.325 3.583 1.00 0.00 C ATOM 45 O ILE A 5 -13.559 10.317 3.686 1.00 0.00 O ATOM 46 CB ILE A 5 -16.411 11.231 4.797 1.00 0.00 C ATOM 47 CG1 ILE A 5 -17.098 11.561 6.125 1.00 0.00 C ATOM 48 CG2 ILE A 5 -16.273 9.714 4.659 1.00 0.00 C ATOM 49 CD1 ILE A 5 -17.712 12.960 6.049 1.00 0.00 C ATOM 0 H ILE A 5 -16.111 13.681 4.436 1.00 0.00 H new ATOM 0 HA ILE A 5 -14.499 11.646 5.696 1.00 0.00 H new ATOM 0 HB ILE A 5 -17.008 11.618 3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -17.872 10.824 6.339 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -16.377 11.513 6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -17.262 9.255 4.679 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -15.782 9.478 3.715 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -15.676 9.326 5.485 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -18.201 13.195 6.994 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -16.928 13.692 5.855 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -18.446 12.992 5.243 1.00 0.00 H new ATOM 61 N HIS A 6 -14.300 11.980 2.457 1.00 0.00 N ATOM 62 CA HIS A 6 -13.547 11.495 1.265 1.00 0.00 C ATOM 63 C HIS A 6 -13.118 12.692 0.413 1.00 0.00 C ATOM 64 O HIS A 6 -13.315 13.832 0.784 1.00 0.00 O ATOM 65 CB HIS A 6 -14.444 10.573 0.436 1.00 0.00 C ATOM 66 CG HIS A 6 -15.843 11.124 0.411 1.00 0.00 C ATOM 67 ND1 HIS A 6 -16.131 12.393 -0.069 1.00 0.00 N ATOM 68 CD2 HIS A 6 -17.046 10.589 0.801 1.00 0.00 C ATOM 69 CE1 HIS A 6 -17.459 12.578 0.044 1.00 0.00 C ATOM 70 NE2 HIS A 6 -18.065 11.509 0.569 1.00 0.00 N ATOM 0 H HIS A 6 -14.845 12.829 2.310 1.00 0.00 H new ATOM 0 HA HIS A 6 -12.664 10.945 1.591 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -14.057 10.488 -0.579 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -14.445 9.570 0.862 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -17.181 9.604 1.223 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -17.972 13.480 -0.253 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -19.060 11.392 0.759 1.00 0.00 H new ATOM 78 N GLU A 7 -12.533 12.442 -0.726 1.00 0.00 N ATOM 79 CA GLU A 7 -12.093 13.566 -1.600 1.00 0.00 C ATOM 80 C GLU A 7 -11.220 14.528 -0.790 1.00 0.00 C ATOM 81 O GLU A 7 -11.153 15.707 -1.073 1.00 0.00 O ATOM 82 CB GLU A 7 -13.320 14.313 -2.127 1.00 0.00 C ATOM 83 CG GLU A 7 -13.952 13.514 -3.268 1.00 0.00 C ATOM 84 CD GLU A 7 -12.954 13.392 -4.422 1.00 0.00 C ATOM 85 OE1 GLU A 7 -12.312 14.382 -4.730 1.00 0.00 O ATOM 86 OE2 GLU A 7 -12.850 12.311 -4.978 1.00 0.00 O ATOM 0 H GLU A 7 -12.341 11.508 -1.089 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.520 13.172 -2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.044 14.457 -1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.033 15.304 -2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.240 12.523 -2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.862 14.007 -3.611 1.00 0.00 H new ATOM 93 N SER A 8 -10.551 14.034 0.216 1.00 0.00 N ATOM 94 CA SER A 8 -9.684 14.922 1.041 1.00 0.00 C ATOM 95 C SER A 8 -8.242 14.416 0.991 1.00 0.00 C ATOM 96 O SER A 8 -7.398 14.979 0.322 1.00 0.00 O ATOM 97 CB SER A 8 -10.178 14.914 2.488 1.00 0.00 C ATOM 98 OG SER A 8 -10.569 16.230 2.858 1.00 0.00 O ATOM 0 H SER A 8 -10.567 13.055 0.502 1.00 0.00 H new ATOM 0 HA SER A 8 -9.726 15.938 0.648 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.019 14.229 2.593 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.391 14.556 3.151 1.00 0.00 H new ATOM 0 HG SER A 8 -10.888 16.228 3.785 1.00 0.00 H new ATOM 104 N LYS A 9 -7.951 13.355 1.694 1.00 0.00 N ATOM 105 CA LYS A 9 -6.563 12.812 1.685 1.00 0.00 C ATOM 106 C LYS A 9 -6.376 11.914 0.462 1.00 0.00 C ATOM 107 O LYS A 9 -7.192 11.898 -0.438 1.00 0.00 O ATOM 108 CB LYS A 9 -6.326 11.997 2.958 1.00 0.00 C ATOM 109 CG LYS A 9 -5.717 12.896 4.035 1.00 0.00 C ATOM 110 CD LYS A 9 -5.016 12.032 5.084 1.00 0.00 C ATOM 111 CE LYS A 9 -4.052 12.899 5.897 1.00 0.00 C ATOM 112 NZ LYS A 9 -4.244 12.626 7.349 1.00 0.00 N ATOM 0 H LYS A 9 -8.614 12.841 2.274 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.850 13.636 1.644 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.266 11.574 3.312 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.659 11.161 2.748 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.006 13.589 3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.495 13.497 4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.752 11.572 5.743 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.472 11.222 4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.023 12.686 5.609 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.230 13.954 5.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.589 13.215 7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.223 12.850 7.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.054 11.622 7.542 1.00 0.00 H new ATOM 126 N GLU A 10 -5.307 11.165 0.418 1.00 0.00 N ATOM 127 CA GLU A 10 -5.076 10.271 -0.751 1.00 0.00 C ATOM 128 C GLU A 10 -3.866 9.371 -0.483 1.00 0.00 C ATOM 129 O GLU A 10 -3.935 8.168 -0.637 1.00 0.00 O ATOM 130 CB GLU A 10 -4.815 11.120 -1.998 1.00 0.00 C ATOM 131 CG GLU A 10 -3.987 12.350 -1.620 1.00 0.00 C ATOM 132 CD GLU A 10 -4.021 13.360 -2.769 1.00 0.00 C ATOM 133 OE1 GLU A 10 -5.108 13.782 -3.128 1.00 0.00 O ATOM 134 OE2 GLU A 10 -2.960 13.695 -3.269 1.00 0.00 O ATOM 0 H GLU A 10 -4.586 11.134 1.139 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.958 9.650 -0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.287 10.530 -2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.760 11.429 -2.444 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.383 12.803 -0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.958 12.058 -1.408 1.00 0.00 H new ATOM 141 N TRP A 11 -2.760 9.949 -0.086 1.00 0.00 N ATOM 142 CA TRP A 11 -1.529 9.140 0.192 1.00 0.00 C ATOM 143 C TRP A 11 -1.316 8.118 -0.931 1.00 0.00 C ATOM 144 O TRP A 11 -0.685 7.091 -0.745 1.00 0.00 O ATOM 145 CB TRP A 11 -1.649 8.413 1.541 1.00 0.00 C ATOM 146 CG TRP A 11 -3.082 8.309 1.960 1.00 0.00 C ATOM 147 CD1 TRP A 11 -3.811 9.311 2.506 1.00 0.00 C ATOM 148 CD2 TRP A 11 -3.970 7.158 1.877 1.00 0.00 C ATOM 149 NE1 TRP A 11 -5.089 8.845 2.762 1.00 0.00 N ATOM 150 CE2 TRP A 11 -5.236 7.523 2.391 1.00 0.00 C ATOM 151 CE3 TRP A 11 -3.799 5.845 1.409 1.00 0.00 C ATOM 152 CZ2 TRP A 11 -6.295 6.615 2.438 1.00 0.00 C ATOM 153 CZ3 TRP A 11 -4.861 4.928 1.455 1.00 0.00 C ATOM 154 CH2 TRP A 11 -6.108 5.313 1.968 1.00 0.00 C ATOM 0 H TRP A 11 -2.654 10.953 0.059 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.674 9.815 0.237 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.215 7.416 1.463 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.081 8.950 2.301 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.454 10.310 2.709 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.832 9.409 3.174 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.843 5.538 1.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -7.253 6.917 2.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -4.717 3.921 1.093 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -6.922 4.604 2.000 1.00 0.00 H new ATOM 165 N TYR A 12 -1.836 8.394 -2.100 1.00 0.00 N ATOM 166 CA TYR A 12 -1.667 7.449 -3.239 1.00 0.00 C ATOM 167 C TYR A 12 -1.225 8.222 -4.487 1.00 0.00 C ATOM 168 O TYR A 12 -1.618 9.351 -4.702 1.00 0.00 O ATOM 169 CB TYR A 12 -2.997 6.729 -3.510 1.00 0.00 C ATOM 170 CG TYR A 12 -3.915 7.613 -4.326 1.00 0.00 C ATOM 171 CD1 TYR A 12 -3.861 7.572 -5.723 1.00 0.00 C ATOM 172 CD2 TYR A 12 -4.817 8.471 -3.685 1.00 0.00 C ATOM 173 CE1 TYR A 12 -4.709 8.389 -6.482 1.00 0.00 C ATOM 174 CE2 TYR A 12 -5.665 9.288 -4.442 1.00 0.00 C ATOM 175 CZ TYR A 12 -5.610 9.247 -5.841 1.00 0.00 C ATOM 176 OH TYR A 12 -6.445 10.053 -6.588 1.00 0.00 O ATOM 0 H TYR A 12 -2.371 9.236 -2.313 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.905 6.710 -2.990 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.812 5.796 -4.042 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.476 6.468 -2.566 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.165 6.910 -6.217 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.858 8.502 -2.606 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -4.668 8.357 -7.561 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.361 9.949 -3.948 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.008 10.586 -5.988 1.00 0.00 H new ATOM 186 N HIS A 13 -0.415 7.617 -5.314 1.00 0.00 N ATOM 187 CA HIS A 13 0.047 8.310 -6.549 1.00 0.00 C ATOM 188 C HIS A 13 -0.612 7.657 -7.767 1.00 0.00 C ATOM 189 O HIS A 13 -1.493 6.831 -7.637 1.00 0.00 O ATOM 190 CB HIS A 13 1.567 8.192 -6.664 1.00 0.00 C ATOM 191 CG HIS A 13 2.185 8.321 -5.299 1.00 0.00 C ATOM 192 ND1 HIS A 13 2.654 9.531 -4.811 1.00 0.00 N ATOM 193 CD2 HIS A 13 2.419 7.401 -4.307 1.00 0.00 C ATOM 194 CE1 HIS A 13 3.142 9.309 -3.576 1.00 0.00 C ATOM 195 NE2 HIS A 13 3.023 8.027 -3.220 1.00 0.00 N ATOM 0 H HIS A 13 -0.054 6.672 -5.187 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.229 9.364 -6.504 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.835 7.233 -7.107 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.954 8.968 -7.325 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.172 6.351 -4.362 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.577 10.074 -2.950 1.00 0.00 H new ATOM 0 HE2 HIS A 13 3.312 7.599 -2.341 1.00 0.00 H new ATOM 203 N ALA A 14 -0.194 8.014 -8.950 1.00 0.00 N ATOM 204 CA ALA A 14 -0.808 7.404 -10.164 1.00 0.00 C ATOM 205 C ALA A 14 -0.132 7.951 -11.426 1.00 0.00 C ATOM 206 O ALA A 14 -0.051 7.279 -12.433 1.00 0.00 O ATOM 207 CB ALA A 14 -2.300 7.739 -10.202 1.00 0.00 C ATOM 0 H ALA A 14 0.542 8.698 -9.129 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.674 6.323 -10.127 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.750 7.294 -11.089 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.785 7.342 -9.310 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.429 8.821 -10.234 1.00 0.00 H new ATOM 213 N SER A 15 0.346 9.164 -11.384 1.00 0.00 N ATOM 214 CA SER A 15 1.009 9.744 -12.587 1.00 0.00 C ATOM 215 C SER A 15 2.447 9.227 -12.686 1.00 0.00 C ATOM 216 O SER A 15 3.386 9.903 -12.315 1.00 0.00 O ATOM 217 CB SER A 15 1.023 11.269 -12.476 1.00 0.00 C ATOM 218 OG SER A 15 0.935 11.640 -11.107 1.00 0.00 O ATOM 0 H SER A 15 0.307 9.778 -10.571 1.00 0.00 H new ATOM 0 HA SER A 15 0.458 9.448 -13.479 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.937 11.669 -12.915 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.189 11.694 -13.034 1.00 0.00 H new ATOM 0 HG SER A 15 0.945 12.617 -11.032 1.00 0.00 H new ATOM 224 N LEU A 16 2.626 8.035 -13.189 1.00 0.00 N ATOM 225 CA LEU A 16 4.003 7.476 -13.317 1.00 0.00 C ATOM 226 C LEU A 16 3.932 6.095 -13.974 1.00 0.00 C ATOM 227 O LEU A 16 2.888 5.664 -14.420 1.00 0.00 O ATOM 228 CB LEU A 16 4.639 7.351 -11.930 1.00 0.00 C ATOM 229 CG LEU A 16 3.865 6.329 -11.098 1.00 0.00 C ATOM 230 CD1 LEU A 16 4.844 5.496 -10.271 1.00 0.00 C ATOM 231 CD2 LEU A 16 2.903 7.061 -10.160 1.00 0.00 C ATOM 0 H LEU A 16 1.878 7.424 -13.517 1.00 0.00 H new ATOM 0 HA LEU A 16 4.609 8.142 -13.932 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.681 7.044 -12.023 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.636 8.319 -11.429 1.00 0.00 H new ATOM 0 HG LEU A 16 3.301 5.674 -11.762 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.291 4.767 -9.678 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.531 4.975 -10.937 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.408 6.151 -9.607 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.350 6.333 -9.566 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.469 7.716 -9.497 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.204 7.656 -10.748 1.00 0.00 H new ATOM 243 N THR A 17 5.034 5.399 -14.039 1.00 0.00 N ATOM 244 CA THR A 17 5.026 4.048 -14.670 1.00 0.00 C ATOM 245 C THR A 17 5.022 2.974 -13.579 1.00 0.00 C ATOM 246 O THR A 17 5.473 3.198 -12.473 1.00 0.00 O ATOM 247 CB THR A 17 6.272 3.886 -15.543 1.00 0.00 C ATOM 248 OG1 THR A 17 7.388 4.463 -14.881 1.00 0.00 O ATOM 249 CG2 THR A 17 6.054 4.585 -16.884 1.00 0.00 C ATOM 0 H THR A 17 5.939 5.707 -13.683 1.00 0.00 H new ATOM 0 HA THR A 17 4.134 3.940 -15.287 1.00 0.00 H new ATOM 0 HB THR A 17 6.459 2.826 -15.717 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.830 5.100 -15.480 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.943 4.468 -17.504 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.197 4.141 -17.391 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.866 5.645 -16.715 1.00 0.00 H new ATOM 257 N ARG A 18 4.517 1.809 -13.881 1.00 0.00 N ATOM 258 CA ARG A 18 4.484 0.724 -12.860 1.00 0.00 C ATOM 259 C ARG A 18 5.898 0.180 -12.641 1.00 0.00 C ATOM 260 O ARG A 18 6.185 -0.436 -11.633 1.00 0.00 O ATOM 261 CB ARG A 18 3.573 -0.405 -13.347 1.00 0.00 C ATOM 262 CG ARG A 18 4.138 -0.997 -14.638 1.00 0.00 C ATOM 263 CD ARG A 18 2.996 -1.260 -15.622 1.00 0.00 C ATOM 264 NE ARG A 18 2.685 -0.008 -16.366 1.00 0.00 N ATOM 265 CZ ARG A 18 1.961 -0.056 -17.451 1.00 0.00 C ATOM 266 NH1 ARG A 18 0.781 -0.612 -17.423 1.00 0.00 N ATOM 267 NH2 ARG A 18 2.419 0.450 -18.563 1.00 0.00 N ATOM 0 H ARG A 18 4.126 1.562 -14.790 1.00 0.00 H new ATOM 0 HA ARG A 18 4.101 1.123 -11.921 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.496 -1.179 -12.583 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.566 -0.025 -13.519 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.861 -0.311 -15.079 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.668 -1.925 -14.423 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.276 -2.050 -16.319 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.112 -1.607 -15.086 1.00 0.00 H new ATOM 0 HE ARG A 18 3.038 0.887 -16.028 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.425 -1.009 -16.554 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.215 -0.650 -18.271 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.342 0.883 -18.584 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.854 0.413 -19.411 1.00 0.00 H new ATOM 281 N ALA A 19 6.783 0.396 -13.576 1.00 0.00 N ATOM 282 CA ALA A 19 8.173 -0.113 -13.418 1.00 0.00 C ATOM 283 C ALA A 19 9.043 0.962 -12.763 1.00 0.00 C ATOM 284 O ALA A 19 9.894 0.673 -11.946 1.00 0.00 O ATOM 285 CB ALA A 19 8.746 -0.469 -14.790 1.00 0.00 C ATOM 0 H ALA A 19 6.602 0.903 -14.442 1.00 0.00 H new ATOM 0 HA ALA A 19 8.162 -1.002 -12.788 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.764 -0.842 -14.674 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.129 -1.238 -15.254 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.755 0.419 -15.422 1.00 0.00 H new ATOM 291 N GLN A 20 8.841 2.201 -13.118 1.00 0.00 N ATOM 292 CA GLN A 20 9.660 3.291 -12.517 1.00 0.00 C ATOM 293 C GLN A 20 9.336 3.412 -11.027 1.00 0.00 C ATOM 294 O GLN A 20 10.096 3.968 -10.261 1.00 0.00 O ATOM 295 CB GLN A 20 9.342 4.615 -13.215 1.00 0.00 C ATOM 296 CG GLN A 20 10.350 5.680 -12.777 1.00 0.00 C ATOM 297 CD GLN A 20 10.007 7.013 -13.442 1.00 0.00 C ATOM 298 OE1 GLN A 20 8.857 7.407 -13.483 1.00 0.00 O ATOM 299 NE2 GLN A 20 10.960 7.730 -13.971 1.00 0.00 N ATOM 0 H GLN A 20 8.144 2.506 -13.798 1.00 0.00 H new ATOM 0 HA GLN A 20 10.718 3.059 -12.642 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.380 4.486 -14.297 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.330 4.934 -12.968 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.333 5.788 -11.692 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.360 5.374 -13.051 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.925 7.401 -13.937 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.740 8.620 -14.418 1.00 0.00 H new ATOM 308 N ALA A 21 8.209 2.900 -10.611 1.00 0.00 N ATOM 309 CA ALA A 21 7.834 2.991 -9.171 1.00 0.00 C ATOM 310 C ALA A 21 8.900 2.305 -8.312 1.00 0.00 C ATOM 311 O ALA A 21 9.341 2.836 -7.312 1.00 0.00 O ATOM 312 CB ALA A 21 6.486 2.301 -8.955 1.00 0.00 C ATOM 0 H ALA A 21 7.532 2.423 -11.206 1.00 0.00 H new ATOM 0 HA ALA A 21 7.761 4.040 -8.883 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.209 2.366 -7.903 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.725 2.792 -9.562 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.563 1.253 -9.246 1.00 0.00 H new ATOM 318 N GLU A 22 9.315 1.126 -8.689 1.00 0.00 N ATOM 319 CA GLU A 22 10.348 0.407 -7.890 1.00 0.00 C ATOM 320 C GLU A 22 11.535 1.339 -7.624 1.00 0.00 C ATOM 321 O GLU A 22 12.101 1.346 -6.549 1.00 0.00 O ATOM 322 CB GLU A 22 10.832 -0.822 -8.663 1.00 0.00 C ATOM 323 CG GLU A 22 9.669 -1.799 -8.859 1.00 0.00 C ATOM 324 CD GLU A 22 9.141 -1.683 -10.290 1.00 0.00 C ATOM 325 OE1 GLU A 22 9.954 -1.641 -11.198 1.00 0.00 O ATOM 326 OE2 GLU A 22 7.934 -1.637 -10.451 1.00 0.00 O ATOM 0 H GLU A 22 8.983 0.630 -9.516 1.00 0.00 H new ATOM 0 HA GLU A 22 9.913 0.093 -6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.233 -0.520 -9.631 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.642 -1.310 -8.120 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.000 -2.819 -8.664 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.873 -1.581 -8.147 1.00 0.00 H new ATOM 333 N HIS A 23 11.920 2.120 -8.596 1.00 0.00 N ATOM 334 CA HIS A 23 13.074 3.045 -8.398 1.00 0.00 C ATOM 335 C HIS A 23 12.661 4.205 -7.489 1.00 0.00 C ATOM 336 O HIS A 23 13.449 4.706 -6.711 1.00 0.00 O ATOM 337 CB HIS A 23 13.524 3.595 -9.754 1.00 0.00 C ATOM 338 CG HIS A 23 15.012 3.434 -9.893 1.00 0.00 C ATOM 339 ND1 HIS A 23 15.873 4.519 -9.935 1.00 0.00 N ATOM 340 CD2 HIS A 23 15.808 2.319 -9.997 1.00 0.00 C ATOM 341 CE1 HIS A 23 17.124 4.041 -10.060 1.00 0.00 C ATOM 342 NE2 HIS A 23 17.142 2.705 -10.103 1.00 0.00 N ATOM 0 H HIS A 23 11.486 2.158 -9.518 1.00 0.00 H new ATOM 0 HA HIS A 23 13.895 2.500 -7.933 1.00 0.00 H new ATOM 0 HB2 HIS A 23 13.014 3.067 -10.560 1.00 0.00 H new ATOM 0 HB3 HIS A 23 13.252 4.647 -9.840 1.00 0.00 H new ATOM 0 HD2 HIS A 23 15.453 1.299 -9.997 1.00 0.00 H new ATOM 0 HE1 HIS A 23 18.006 4.661 -10.118 1.00 0.00 H new ATOM 0 HE2 HIS A 23 17.957 2.099 -10.194 1.00 0.00 H new ATOM 350 N MET A 24 11.435 4.639 -7.580 1.00 0.00 N ATOM 351 CA MET A 24 10.978 5.768 -6.719 1.00 0.00 C ATOM 352 C MET A 24 11.119 5.375 -5.248 1.00 0.00 C ATOM 353 O MET A 24 11.452 6.187 -4.407 1.00 0.00 O ATOM 354 CB MET A 24 9.512 6.081 -7.025 1.00 0.00 C ATOM 355 CG MET A 24 9.378 6.525 -8.483 1.00 0.00 C ATOM 356 SD MET A 24 8.622 8.168 -8.545 1.00 0.00 S ATOM 357 CE MET A 24 7.770 7.968 -10.130 1.00 0.00 C ATOM 0 H MET A 24 10.729 4.262 -8.213 1.00 0.00 H new ATOM 0 HA MET A 24 11.587 6.649 -6.920 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.896 5.200 -6.844 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.150 6.865 -6.360 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.358 6.545 -8.960 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.769 5.811 -9.037 1.00 0.00 H new ATOM 0 HE1 MET A 24 8.419 8.306 -10.937 1.00 0.00 H new ATOM 0 HE2 MET A 24 7.522 6.917 -10.280 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.855 8.560 -10.128 1.00 0.00 H new ATOM 367 N LEU A 25 10.869 4.135 -4.931 1.00 0.00 N ATOM 368 CA LEU A 25 10.989 3.688 -3.515 1.00 0.00 C ATOM 369 C LEU A 25 12.450 3.348 -3.214 1.00 0.00 C ATOM 370 O LEU A 25 12.883 3.373 -2.080 1.00 0.00 O ATOM 371 CB LEU A 25 10.121 2.447 -3.302 1.00 0.00 C ATOM 372 CG LEU A 25 8.764 2.862 -2.731 1.00 0.00 C ATOM 373 CD1 LEU A 25 7.696 1.862 -3.176 1.00 0.00 C ATOM 374 CD2 LEU A 25 8.839 2.880 -1.203 1.00 0.00 C ATOM 0 H LEU A 25 10.587 3.411 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 25 10.656 4.484 -2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.984 1.920 -4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.618 1.756 -2.621 1.00 0.00 H new ATOM 0 HG LEU A 25 8.505 3.856 -3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.729 2.157 -2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.643 1.847 -4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.954 0.868 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.873 3.176 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.098 1.885 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.600 3.592 -0.884 1.00 0.00 H new ATOM 386 N MET A 26 13.211 3.031 -4.223 1.00 0.00 N ATOM 387 CA MET A 26 14.646 2.689 -4.009 1.00 0.00 C ATOM 388 C MET A 26 15.398 3.914 -3.481 1.00 0.00 C ATOM 389 O MET A 26 16.486 3.806 -2.951 1.00 0.00 O ATOM 390 CB MET A 26 15.264 2.244 -5.336 1.00 0.00 C ATOM 391 CG MET A 26 16.783 2.165 -5.189 1.00 0.00 C ATOM 392 SD MET A 26 17.420 0.805 -6.200 1.00 0.00 S ATOM 393 CE MET A 26 19.129 0.862 -5.608 1.00 0.00 C ATOM 0 H MET A 26 12.899 2.994 -5.194 1.00 0.00 H new ATOM 0 HA MET A 26 14.720 1.881 -3.281 1.00 0.00 H new ATOM 0 HB2 MET A 26 14.865 1.272 -5.628 1.00 0.00 H new ATOM 0 HB3 MET A 26 15.000 2.947 -6.126 1.00 0.00 H new ATOM 0 HG2 MET A 26 17.238 3.106 -5.499 1.00 0.00 H new ATOM 0 HG3 MET A 26 17.050 2.011 -4.144 1.00 0.00 H new ATOM 0 HE1 MET A 26 19.714 0.091 -6.110 1.00 0.00 H new ATOM 0 HE2 MET A 26 19.557 1.841 -5.825 1.00 0.00 H new ATOM 0 HE3 MET A 26 19.147 0.688 -4.532 1.00 0.00 H new ATOM 403 N ARG A 27 14.835 5.081 -3.641 1.00 0.00 N ATOM 404 CA ARG A 27 15.524 6.317 -3.169 1.00 0.00 C ATOM 405 C ARG A 27 15.699 6.281 -1.650 1.00 0.00 C ATOM 406 O ARG A 27 16.562 6.940 -1.104 1.00 0.00 O ATOM 407 CB ARG A 27 14.682 7.535 -3.545 1.00 0.00 C ATOM 408 CG ARG A 27 15.370 8.291 -4.677 1.00 0.00 C ATOM 409 CD ARG A 27 15.053 9.783 -4.562 1.00 0.00 C ATOM 410 NE ARG A 27 15.397 10.472 -5.839 1.00 0.00 N ATOM 411 CZ ARG A 27 16.444 10.098 -6.524 1.00 0.00 C ATOM 412 NH1 ARG A 27 17.543 9.762 -5.905 1.00 0.00 N ATOM 413 NH2 ARG A 27 16.392 10.060 -7.827 1.00 0.00 N ATOM 0 H ARG A 27 13.926 5.232 -4.079 1.00 0.00 H new ATOM 0 HA ARG A 27 16.505 6.377 -3.639 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.685 7.221 -3.855 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.557 8.186 -2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 27 16.448 8.133 -4.632 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.032 7.910 -5.641 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.996 9.923 -4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.616 10.221 -3.738 1.00 0.00 H new ATOM 0 HE ARG A 27 14.813 11.237 -6.178 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.584 9.792 -4.886 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.361 9.470 -6.440 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.533 10.322 -8.311 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.210 9.768 -8.362 1.00 0.00 H new ATOM 427 N VAL A 28 14.896 5.525 -0.960 1.00 0.00 N ATOM 428 CA VAL A 28 15.032 5.465 0.521 1.00 0.00 C ATOM 429 C VAL A 28 16.101 4.428 0.890 1.00 0.00 C ATOM 430 O VAL A 28 16.052 3.301 0.435 1.00 0.00 O ATOM 431 CB VAL A 28 13.690 5.070 1.136 1.00 0.00 C ATOM 432 CG1 VAL A 28 13.262 3.706 0.597 1.00 0.00 C ATOM 433 CG2 VAL A 28 13.832 4.999 2.657 1.00 0.00 C ATOM 0 H VAL A 28 14.153 4.947 -1.354 1.00 0.00 H new ATOM 0 HA VAL A 28 15.330 6.441 0.905 1.00 0.00 H new ATOM 0 HB VAL A 28 12.936 5.813 0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.305 3.425 1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.162 3.758 -0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.013 2.960 0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.876 4.717 3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.585 4.256 2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.136 5.973 3.040 1.00 0.00 H new ATOM 443 N PRO A 29 17.044 4.843 1.698 1.00 0.00 N ATOM 444 CA PRO A 29 18.179 4.008 2.173 1.00 0.00 C ATOM 445 C PRO A 29 17.733 3.090 3.316 1.00 0.00 C ATOM 446 O PRO A 29 17.831 3.436 4.476 1.00 0.00 O ATOM 447 CB PRO A 29 19.234 4.995 2.668 1.00 0.00 C ATOM 448 CG PRO A 29 18.483 6.286 3.008 1.00 0.00 C ATOM 449 CD PRO A 29 17.137 6.214 2.275 1.00 0.00 C ATOM 0 HA PRO A 29 18.563 3.365 1.381 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.753 4.604 3.543 1.00 0.00 H new ATOM 0 HB3 PRO A 29 19.990 5.174 1.903 1.00 0.00 H new ATOM 0 HG2 PRO A 29 18.334 6.376 4.084 1.00 0.00 H new ATOM 0 HG3 PRO A 29 19.051 7.160 2.690 1.00 0.00 H new ATOM 0 HD2 PRO A 29 16.311 6.404 2.961 1.00 0.00 H new ATOM 0 HD3 PRO A 29 17.081 6.970 1.491 1.00 0.00 H new ATOM 457 N ARG A 30 17.254 1.919 2.995 1.00 0.00 N ATOM 458 CA ARG A 30 16.810 0.974 4.061 1.00 0.00 C ATOM 459 C ARG A 30 15.651 1.587 4.848 1.00 0.00 C ATOM 460 O ARG A 30 15.839 2.457 5.675 1.00 0.00 O ATOM 461 CB ARG A 30 17.977 0.692 5.009 1.00 0.00 C ATOM 462 CG ARG A 30 18.176 -0.820 5.138 1.00 0.00 C ATOM 463 CD ARG A 30 18.795 -1.140 6.500 1.00 0.00 C ATOM 464 NE ARG A 30 18.917 -2.616 6.656 1.00 0.00 N ATOM 465 CZ ARG A 30 19.679 -3.113 7.592 1.00 0.00 C ATOM 466 NH1 ARG A 30 19.722 -2.547 8.767 1.00 0.00 N ATOM 467 NH2 ARG A 30 20.400 -4.174 7.352 1.00 0.00 N ATOM 0 H ARG A 30 17.151 1.575 2.040 1.00 0.00 H new ATOM 0 HA ARG A 30 16.479 0.043 3.601 1.00 0.00 H new ATOM 0 HB2 ARG A 30 18.887 1.158 4.631 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.778 1.128 5.988 1.00 0.00 H new ATOM 0 HG2 ARG A 30 17.220 -1.333 5.032 1.00 0.00 H new ATOM 0 HG3 ARG A 30 18.823 -1.182 4.339 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.776 -0.672 6.584 1.00 0.00 H new ATOM 0 HD3 ARG A 30 18.176 -0.729 7.298 1.00 0.00 H new ATOM 0 HE ARG A 30 18.405 -3.239 6.031 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.160 -1.716 8.954 1.00 0.00 H new ATOM 0 HH12 ARG A 30 20.317 -2.935 9.499 1.00 0.00 H new ATOM 0 HH21 ARG A 30 20.368 -4.615 6.433 1.00 0.00 H new ATOM 0 HH22 ARG A 30 20.995 -4.562 8.084 1.00 0.00 H new ATOM 481 N ASP A 31 14.451 1.138 4.599 1.00 0.00 N ATOM 482 CA ASP A 31 13.281 1.693 5.336 1.00 0.00 C ATOM 483 C ASP A 31 12.041 0.855 5.027 1.00 0.00 C ATOM 484 O ASP A 31 11.919 0.279 3.965 1.00 0.00 O ATOM 485 CB ASP A 31 13.043 3.140 4.898 1.00 0.00 C ATOM 486 CG ASP A 31 12.608 3.974 6.105 1.00 0.00 C ATOM 487 OD1 ASP A 31 13.176 3.783 7.168 1.00 0.00 O ATOM 488 OD2 ASP A 31 11.714 4.788 5.946 1.00 0.00 O ATOM 0 H ASP A 31 14.231 0.412 3.918 1.00 0.00 H new ATOM 0 HA ASP A 31 13.479 1.666 6.408 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.954 3.555 4.465 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.277 3.175 4.123 1.00 0.00 H new ATOM 493 N GLY A 32 11.117 0.785 5.947 1.00 0.00 N ATOM 494 CA GLY A 32 9.879 -0.012 5.714 1.00 0.00 C ATOM 495 C GLY A 32 8.685 0.937 5.637 1.00 0.00 C ATOM 496 O GLY A 32 7.784 0.884 6.448 1.00 0.00 O ATOM 0 H GLY A 32 11.167 1.248 6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.967 -0.583 4.789 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.737 -0.732 6.520 1.00 0.00 H new ATOM 500 N ALA A 33 8.678 1.814 4.673 1.00 0.00 N ATOM 501 CA ALA A 33 7.548 2.781 4.549 1.00 0.00 C ATOM 502 C ALA A 33 6.458 2.200 3.646 1.00 0.00 C ATOM 503 O ALA A 33 6.711 1.342 2.824 1.00 0.00 O ATOM 504 CB ALA A 33 8.062 4.090 3.948 1.00 0.00 C ATOM 0 H ALA A 33 9.406 1.905 3.964 1.00 0.00 H new ATOM 0 HA ALA A 33 7.130 2.970 5.538 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.237 4.797 3.857 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.831 4.511 4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.485 3.896 2.962 1.00 0.00 H new ATOM 510 N PHE A 34 5.243 2.660 3.798 1.00 0.00 N ATOM 511 CA PHE A 34 4.133 2.130 2.952 1.00 0.00 C ATOM 512 C PHE A 34 3.497 3.264 2.137 1.00 0.00 C ATOM 513 O PHE A 34 3.293 4.357 2.628 1.00 0.00 O ATOM 514 CB PHE A 34 3.068 1.503 3.854 1.00 0.00 C ATOM 515 CG PHE A 34 2.281 2.596 4.541 1.00 0.00 C ATOM 516 CD1 PHE A 34 2.775 3.184 5.711 1.00 0.00 C ATOM 517 CD2 PHE A 34 1.062 3.025 4.002 1.00 0.00 C ATOM 518 CE1 PHE A 34 2.049 4.201 6.344 1.00 0.00 C ATOM 519 CE2 PHE A 34 0.337 4.043 4.634 1.00 0.00 C ATOM 520 CZ PHE A 34 0.831 4.631 5.804 1.00 0.00 C ATOM 0 H PHE A 34 4.972 3.378 4.470 1.00 0.00 H new ATOM 0 HA PHE A 34 4.534 1.382 2.268 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.400 0.876 3.264 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.539 0.858 4.596 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.716 2.854 6.126 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.681 2.571 3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.429 4.653 7.248 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.603 4.374 4.219 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.272 5.417 6.291 1.00 0.00 H new ATOM 530 N LEU A 35 3.166 3.001 0.901 1.00 0.00 N ATOM 531 CA LEU A 35 2.523 4.048 0.051 1.00 0.00 C ATOM 532 C LEU A 35 1.547 3.368 -0.914 1.00 0.00 C ATOM 533 O LEU A 35 1.762 2.246 -1.330 1.00 0.00 O ATOM 534 CB LEU A 35 3.592 4.795 -0.754 1.00 0.00 C ATOM 535 CG LEU A 35 4.859 4.960 0.087 1.00 0.00 C ATOM 536 CD1 LEU A 35 6.030 5.328 -0.826 1.00 0.00 C ATOM 537 CD2 LEU A 35 4.649 6.076 1.113 1.00 0.00 C ATOM 0 H LEU A 35 3.313 2.103 0.441 1.00 0.00 H new ATOM 0 HA LEU A 35 1.993 4.759 0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.821 4.246 -1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.215 5.773 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 35 5.076 4.025 0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.934 5.446 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.181 4.537 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.810 6.264 -1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.552 6.194 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.433 7.010 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.813 5.820 1.763 1.00 0.00 H new ATOM 549 N VAL A 36 0.477 4.024 -1.279 1.00 0.00 N ATOM 550 CA VAL A 36 -0.485 3.380 -2.220 1.00 0.00 C ATOM 551 C VAL A 36 -0.420 4.084 -3.576 1.00 0.00 C ATOM 552 O VAL A 36 0.281 5.061 -3.741 1.00 0.00 O ATOM 553 CB VAL A 36 -1.903 3.471 -1.655 1.00 0.00 C ATOM 554 CG1 VAL A 36 -2.079 2.435 -0.544 1.00 0.00 C ATOM 555 CG2 VAL A 36 -2.133 4.869 -1.086 1.00 0.00 C ATOM 0 H VAL A 36 0.230 4.965 -0.971 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.220 2.330 -2.345 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.623 3.276 -2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.090 2.501 -0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.913 1.436 -0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.359 2.628 0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.143 4.936 -0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.412 5.062 -0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.008 5.609 -1.877 1.00 0.00 H new ATOM 565 N ARG A 37 -1.137 3.594 -4.553 1.00 0.00 N ATOM 566 CA ARG A 37 -1.100 4.247 -5.891 1.00 0.00 C ATOM 567 C ARG A 37 -2.262 3.739 -6.748 1.00 0.00 C ATOM 568 O ARG A 37 -3.139 3.043 -6.275 1.00 0.00 O ATOM 569 CB ARG A 37 0.231 3.926 -6.581 1.00 0.00 C ATOM 570 CG ARG A 37 0.201 2.495 -7.124 1.00 0.00 C ATOM 571 CD ARG A 37 1.512 2.194 -7.853 1.00 0.00 C ATOM 572 NE ARG A 37 1.441 2.744 -9.237 1.00 0.00 N ATOM 573 CZ ARG A 37 2.522 2.841 -9.965 1.00 0.00 C ATOM 574 NH1 ARG A 37 3.677 3.064 -9.398 1.00 0.00 N ATOM 575 NH2 ARG A 37 2.447 2.717 -11.261 1.00 0.00 N ATOM 0 H ARG A 37 -1.742 2.776 -4.482 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.193 5.326 -5.768 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.409 4.630 -7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.054 4.040 -5.875 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.057 1.788 -6.307 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.642 2.371 -7.804 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.351 2.637 -7.316 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.686 1.118 -7.885 1.00 0.00 H new ATOM 0 HE ARG A 37 0.544 3.046 -9.618 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.737 3.163 -8.385 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.519 3.139 -9.969 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.545 2.545 -11.705 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.290 2.793 -11.830 1.00 0.00 H new ATOM 589 N LYS A 38 -2.271 4.080 -8.007 1.00 0.00 N ATOM 590 CA LYS A 38 -3.370 3.618 -8.899 1.00 0.00 C ATOM 591 C LYS A 38 -2.795 3.296 -10.282 1.00 0.00 C ATOM 592 O LYS A 38 -2.094 4.094 -10.873 1.00 0.00 O ATOM 593 CB LYS A 38 -4.421 4.722 -9.026 1.00 0.00 C ATOM 594 CG LYS A 38 -5.421 4.352 -10.124 1.00 0.00 C ATOM 595 CD LYS A 38 -6.161 3.072 -9.732 1.00 0.00 C ATOM 596 CE LYS A 38 -7.084 3.356 -8.545 1.00 0.00 C ATOM 597 NZ LYS A 38 -7.703 4.701 -8.709 1.00 0.00 N ATOM 0 H LYS A 38 -1.563 4.660 -8.457 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.833 2.725 -8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.940 4.855 -8.077 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.940 5.671 -9.262 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.132 5.165 -10.272 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.901 4.208 -11.071 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.742 2.702 -10.577 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.446 2.292 -9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.859 2.592 -8.482 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.520 3.315 -7.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.538 4.776 -8.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.014 5.435 -8.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.990 4.833 -9.700 1.00 0.00 H new ATOM 611 N ARG A 39 -3.084 2.135 -10.800 1.00 0.00 N ATOM 612 CA ARG A 39 -2.552 1.765 -12.142 1.00 0.00 C ATOM 613 C ARG A 39 -3.326 2.524 -13.224 1.00 0.00 C ATOM 614 O ARG A 39 -3.943 3.536 -12.961 1.00 0.00 O ATOM 615 CB ARG A 39 -2.714 0.259 -12.359 1.00 0.00 C ATOM 616 CG ARG A 39 -1.968 -0.497 -11.259 1.00 0.00 C ATOM 617 CD ARG A 39 -2.919 -1.488 -10.587 1.00 0.00 C ATOM 618 NE ARG A 39 -3.360 -2.506 -11.582 1.00 0.00 N ATOM 619 CZ ARG A 39 -3.922 -3.613 -11.180 1.00 0.00 C ATOM 620 NH1 ARG A 39 -4.293 -3.744 -9.935 1.00 0.00 N ATOM 621 NH2 ARG A 39 -4.114 -4.590 -12.024 1.00 0.00 N ATOM 0 H ARG A 39 -3.665 1.426 -10.353 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.496 2.027 -12.199 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.770 -0.009 -12.348 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.324 -0.022 -13.337 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.114 -1.026 -11.681 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.576 0.204 -10.522 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.421 -1.975 -9.749 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.783 -0.962 -10.182 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.222 -2.337 -12.578 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.144 -2.981 -9.275 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.732 -4.610 -9.622 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.825 -4.488 -12.997 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.553 -5.456 -11.711 1.00 0.00 H new ATOM 635 N ASN A 40 -3.298 2.045 -14.437 1.00 0.00 N ATOM 636 CA ASN A 40 -4.034 2.743 -15.528 1.00 0.00 C ATOM 637 C ASN A 40 -5.456 2.189 -15.621 1.00 0.00 C ATOM 638 O ASN A 40 -6.054 2.156 -16.677 1.00 0.00 O ATOM 639 CB ASN A 40 -3.311 2.522 -16.859 1.00 0.00 C ATOM 640 CG ASN A 40 -1.842 2.924 -16.715 1.00 0.00 C ATOM 641 OD1 ASN A 40 -1.083 2.263 -16.036 1.00 0.00 O ATOM 642 ND2 ASN A 40 -1.408 3.990 -17.330 1.00 0.00 N ATOM 0 H ASN A 40 -2.798 1.202 -14.719 1.00 0.00 H new ATOM 0 HA ASN A 40 -4.074 3.811 -15.311 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -3.385 1.476 -17.156 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -3.785 3.111 -17.644 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.431 4.268 -17.240 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.046 4.545 -17.900 1.00 0.00 H new ATOM 649 N GLU A 41 -6.002 1.758 -14.518 1.00 0.00 N ATOM 650 CA GLU A 41 -7.386 1.208 -14.531 1.00 0.00 C ATOM 651 C GLU A 41 -8.092 1.592 -13.226 1.00 0.00 C ATOM 652 O GLU A 41 -7.544 1.420 -12.156 1.00 0.00 O ATOM 653 CB GLU A 41 -7.329 -0.317 -14.646 1.00 0.00 C ATOM 654 CG GLU A 41 -6.623 -0.711 -15.945 1.00 0.00 C ATOM 655 CD GLU A 41 -5.133 -0.922 -15.673 1.00 0.00 C ATOM 656 OE1 GLU A 41 -4.800 -1.916 -15.049 1.00 0.00 O ATOM 657 OE2 GLU A 41 -4.350 -0.087 -16.093 1.00 0.00 O ATOM 0 H GLU A 41 -5.547 1.763 -13.605 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.934 1.616 -15.381 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.798 -0.736 -13.791 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.337 -0.730 -14.629 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.063 -1.623 -16.348 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.760 0.067 -16.696 1.00 0.00 H new ATOM 664 N PRO A 42 -9.290 2.099 -13.354 1.00 0.00 N ATOM 665 CA PRO A 42 -10.145 2.536 -12.221 1.00 0.00 C ATOM 666 C PRO A 42 -10.817 1.323 -11.571 1.00 0.00 C ATOM 667 O PRO A 42 -11.563 1.450 -10.620 1.00 0.00 O ATOM 668 CB PRO A 42 -11.194 3.462 -12.831 1.00 0.00 C ATOM 669 CG PRO A 42 -11.284 3.084 -14.313 1.00 0.00 C ATOM 670 CD PRO A 42 -9.994 2.323 -14.649 1.00 0.00 C ATOM 0 HA PRO A 42 -9.567 3.040 -11.446 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.158 3.337 -12.338 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.908 4.507 -12.712 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.160 2.464 -14.503 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.382 3.974 -14.935 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.218 1.375 -15.139 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.372 2.897 -15.336 1.00 0.00 H new ATOM 678 N ASN A 43 -10.564 0.150 -12.080 1.00 0.00 N ATOM 679 CA ASN A 43 -11.194 -1.069 -11.496 1.00 0.00 C ATOM 680 C ASN A 43 -10.213 -1.769 -10.547 1.00 0.00 C ATOM 681 O ASN A 43 -10.169 -2.981 -10.475 1.00 0.00 O ATOM 682 CB ASN A 43 -11.599 -2.025 -12.628 1.00 0.00 C ATOM 683 CG ASN A 43 -10.384 -2.822 -13.123 1.00 0.00 C ATOM 684 OD1 ASN A 43 -10.535 -3.899 -13.664 1.00 0.00 O ATOM 685 ND2 ASN A 43 -9.181 -2.341 -12.964 1.00 0.00 N ATOM 0 H ASN A 43 -9.948 -0.019 -12.875 1.00 0.00 H new ATOM 0 HA ASN A 43 -12.080 -0.779 -10.930 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.370 -2.709 -12.275 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.030 -1.458 -13.453 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.373 -2.869 -13.293 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.049 -1.437 -12.510 1.00 0.00 H new ATOM 692 N SER A 44 -9.434 -1.013 -9.815 1.00 0.00 N ATOM 693 CA SER A 44 -8.459 -1.632 -8.867 1.00 0.00 C ATOM 694 C SER A 44 -7.453 -0.579 -8.398 1.00 0.00 C ATOM 695 O SER A 44 -7.346 0.490 -8.968 1.00 0.00 O ATOM 696 CB SER A 44 -7.704 -2.764 -9.568 1.00 0.00 C ATOM 697 OG SER A 44 -7.633 -2.489 -10.960 1.00 0.00 O ATOM 0 H SER A 44 -9.431 0.007 -9.833 1.00 0.00 H new ATOM 0 HA SER A 44 -9.003 -2.028 -8.009 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.701 -2.859 -9.153 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.211 -3.714 -9.399 1.00 0.00 H new ATOM 0 HG SER A 44 -7.149 -3.212 -11.412 1.00 0.00 H new ATOM 703 N TYR A 45 -6.713 -0.875 -7.364 1.00 0.00 N ATOM 704 CA TYR A 45 -5.710 0.104 -6.854 1.00 0.00 C ATOM 705 C TYR A 45 -4.358 -0.595 -6.701 1.00 0.00 C ATOM 706 O TYR A 45 -4.158 -1.689 -7.190 1.00 0.00 O ATOM 707 CB TYR A 45 -6.165 0.642 -5.494 1.00 0.00 C ATOM 708 CG TYR A 45 -7.309 1.609 -5.691 1.00 0.00 C ATOM 709 CD1 TYR A 45 -8.519 1.161 -6.234 1.00 0.00 C ATOM 710 CD2 TYR A 45 -7.159 2.953 -5.330 1.00 0.00 C ATOM 711 CE1 TYR A 45 -9.579 2.056 -6.416 1.00 0.00 C ATOM 712 CE2 TYR A 45 -8.219 3.849 -5.513 1.00 0.00 C ATOM 713 CZ TYR A 45 -9.429 3.401 -6.056 1.00 0.00 C ATOM 714 OH TYR A 45 -10.474 4.284 -6.238 1.00 0.00 O ATOM 0 H TYR A 45 -6.760 -1.754 -6.849 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.617 0.932 -7.556 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.477 -0.181 -4.852 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.336 1.141 -4.992 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.634 0.124 -6.513 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.226 3.299 -4.910 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.513 1.710 -6.834 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.103 4.886 -5.235 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.205 5.176 -5.936 1.00 0.00 H new ATOM 724 N ALA A 46 -3.423 0.023 -6.027 1.00 0.00 N ATOM 725 CA ALA A 46 -2.092 -0.622 -5.856 1.00 0.00 C ATOM 726 C ALA A 46 -1.493 -0.211 -4.510 1.00 0.00 C ATOM 727 O ALA A 46 -2.047 0.598 -3.791 1.00 0.00 O ATOM 728 CB ALA A 46 -1.164 -0.180 -6.986 1.00 0.00 C ATOM 0 H ALA A 46 -3.524 0.940 -5.591 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.207 -1.706 -5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.189 -0.652 -6.862 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.591 -0.476 -7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.049 0.904 -6.959 1.00 0.00 H new ATOM 734 N ILE A 47 -0.362 -0.762 -4.164 1.00 0.00 N ATOM 735 CA ILE A 47 0.275 -0.408 -2.866 1.00 0.00 C ATOM 736 C ILE A 47 1.794 -0.370 -3.041 1.00 0.00 C ATOM 737 O ILE A 47 2.468 -1.359 -2.860 1.00 0.00 O ATOM 738 CB ILE A 47 -0.091 -1.458 -1.814 1.00 0.00 C ATOM 739 CG1 ILE A 47 -1.613 -1.523 -1.670 1.00 0.00 C ATOM 740 CG2 ILE A 47 0.533 -1.074 -0.471 1.00 0.00 C ATOM 741 CD1 ILE A 47 -1.976 -2.401 -0.471 1.00 0.00 C ATOM 0 H ILE A 47 0.149 -1.443 -4.726 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.080 0.570 -2.541 1.00 0.00 H new ATOM 0 HB ILE A 47 0.288 -2.432 -2.124 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.019 -0.520 -1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.058 -1.928 -2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.272 -1.822 0.278 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.617 -1.026 -0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.155 -0.101 -0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.060 -2.447 -0.369 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.583 -3.406 -0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.544 -1.976 0.435 1.00 0.00 H new ATOM 753 N SER A 48 2.338 0.763 -3.392 1.00 0.00 N ATOM 754 CA SER A 48 3.816 0.848 -3.580 1.00 0.00 C ATOM 755 C SER A 48 4.487 1.081 -2.228 1.00 0.00 C ATOM 756 O SER A 48 4.263 2.081 -1.576 1.00 0.00 O ATOM 757 CB SER A 48 4.143 2.009 -4.520 1.00 0.00 C ATOM 758 OG SER A 48 3.207 3.058 -4.314 1.00 0.00 O ATOM 0 H SER A 48 1.827 1.630 -3.556 1.00 0.00 H new ATOM 0 HA SER A 48 4.183 -0.083 -4.012 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.155 2.368 -4.335 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.108 1.674 -5.557 1.00 0.00 H new ATOM 0 HG SER A 48 3.415 3.804 -4.914 1.00 0.00 H new ATOM 764 N PHE A 49 5.309 0.164 -1.794 1.00 0.00 N ATOM 765 CA PHE A 49 5.981 0.341 -0.478 1.00 0.00 C ATOM 766 C PHE A 49 7.330 -0.382 -0.478 1.00 0.00 C ATOM 767 O PHE A 49 7.509 -1.395 -1.127 1.00 0.00 O ATOM 768 CB PHE A 49 5.094 -0.244 0.623 1.00 0.00 C ATOM 769 CG PHE A 49 4.972 -1.737 0.432 1.00 0.00 C ATOM 770 CD1 PHE A 49 5.957 -2.590 0.947 1.00 0.00 C ATOM 771 CD2 PHE A 49 3.878 -2.268 -0.260 1.00 0.00 C ATOM 772 CE1 PHE A 49 5.844 -3.975 0.770 1.00 0.00 C ATOM 773 CE2 PHE A 49 3.766 -3.653 -0.437 1.00 0.00 C ATOM 774 CZ PHE A 49 4.749 -4.506 0.078 1.00 0.00 C ATOM 0 H PHE A 49 5.542 -0.695 -2.292 1.00 0.00 H new ATOM 0 HA PHE A 49 6.145 1.404 -0.298 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.520 -0.026 1.602 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.108 0.219 0.594 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.802 -2.180 1.480 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.120 -1.610 -0.658 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.602 -4.634 1.168 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.921 -4.063 -0.971 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.663 -5.574 -0.058 1.00 0.00 H new ATOM 784 N ARG A 50 8.276 0.129 0.261 1.00 0.00 N ATOM 785 CA ARG A 50 9.612 -0.524 0.327 1.00 0.00 C ATOM 786 C ARG A 50 9.906 -0.893 1.781 1.00 0.00 C ATOM 787 O ARG A 50 9.781 -0.077 2.676 1.00 0.00 O ATOM 788 CB ARG A 50 10.688 0.439 -0.183 1.00 0.00 C ATOM 789 CG ARG A 50 12.072 -0.091 0.200 1.00 0.00 C ATOM 790 CD ARG A 50 13.145 0.641 -0.607 1.00 0.00 C ATOM 791 NE ARG A 50 14.257 -0.301 -0.921 1.00 0.00 N ATOM 792 CZ ARG A 50 15.141 0.013 -1.828 1.00 0.00 C ATOM 793 NH1 ARG A 50 16.143 0.791 -1.520 1.00 0.00 N ATOM 794 NH2 ARG A 50 15.024 -0.451 -3.042 1.00 0.00 N ATOM 0 H ARG A 50 8.180 0.974 0.824 1.00 0.00 H new ATOM 0 HA ARG A 50 9.615 -1.419 -0.295 1.00 0.00 H new ATOM 0 HB2 ARG A 50 10.614 0.543 -1.265 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.536 1.430 0.244 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.245 0.052 1.267 1.00 0.00 H new ATOM 0 HG3 ARG A 50 12.127 -1.163 0.009 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.717 1.036 -1.528 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.524 1.492 -0.041 1.00 0.00 H new ATOM 0 HE ARG A 50 14.327 -1.191 -0.427 1.00 0.00 H new ATOM 0 HH11 ARG A 50 16.235 1.153 -0.571 1.00 0.00 H new ATOM 0 HH12 ARG A 50 16.834 1.037 -2.229 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.241 -1.059 -3.282 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.715 -0.205 -3.751 1.00 0.00 H new ATOM 808 N ALA A 51 10.293 -2.117 2.023 1.00 0.00 N ATOM 809 CA ALA A 51 10.594 -2.543 3.418 1.00 0.00 C ATOM 810 C ALA A 51 11.469 -3.797 3.388 1.00 0.00 C ATOM 811 O ALA A 51 11.522 -4.505 2.401 1.00 0.00 O ATOM 812 CB ALA A 51 9.287 -2.848 4.152 1.00 0.00 C ATOM 0 H ALA A 51 10.413 -2.840 1.313 1.00 0.00 H new ATOM 0 HA ALA A 51 11.122 -1.743 3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.507 -3.160 5.173 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.664 -1.954 4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.757 -3.648 3.635 1.00 0.00 H new ATOM 818 N GLU A 52 12.158 -4.076 4.460 1.00 0.00 N ATOM 819 CA GLU A 52 13.031 -5.283 4.492 1.00 0.00 C ATOM 820 C GLU A 52 14.234 -5.069 3.570 1.00 0.00 C ATOM 821 O GLU A 52 15.016 -5.969 3.337 1.00 0.00 O ATOM 822 CB GLU A 52 12.235 -6.501 4.018 1.00 0.00 C ATOM 823 CG GLU A 52 12.568 -7.704 4.902 1.00 0.00 C ATOM 824 CD GLU A 52 13.571 -8.606 4.180 1.00 0.00 C ATOM 825 OE1 GLU A 52 13.462 -8.732 2.972 1.00 0.00 O ATOM 826 OE2 GLU A 52 14.431 -9.154 4.849 1.00 0.00 O ATOM 0 H GLU A 52 12.154 -3.520 5.315 1.00 0.00 H new ATOM 0 HA GLU A 52 13.380 -5.451 5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.167 -6.290 4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.475 -6.723 2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.984 -7.367 5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.660 -8.262 5.132 1.00 0.00 H new ATOM 833 N GLY A 53 14.388 -3.884 3.043 1.00 0.00 N ATOM 834 CA GLY A 53 15.540 -3.617 2.137 1.00 0.00 C ATOM 835 C GLY A 53 15.136 -3.924 0.694 1.00 0.00 C ATOM 836 O GLY A 53 15.840 -3.598 -0.241 1.00 0.00 O ATOM 0 H GLY A 53 13.766 -3.091 3.201 1.00 0.00 H new ATOM 0 HA2 GLY A 53 15.852 -2.576 2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 53 16.393 -4.231 2.425 1.00 0.00 H new ATOM 840 N LYS A 54 14.007 -4.551 0.506 1.00 0.00 N ATOM 841 CA LYS A 54 13.559 -4.879 -0.877 1.00 0.00 C ATOM 842 C LYS A 54 12.377 -3.985 -1.257 1.00 0.00 C ATOM 843 O LYS A 54 11.658 -3.497 -0.408 1.00 0.00 O ATOM 844 CB LYS A 54 13.130 -6.346 -0.940 1.00 0.00 C ATOM 845 CG LYS A 54 11.814 -6.528 -0.179 1.00 0.00 C ATOM 846 CD LYS A 54 11.722 -7.962 0.346 1.00 0.00 C ATOM 847 CE LYS A 54 11.593 -8.930 -0.832 1.00 0.00 C ATOM 848 NZ LYS A 54 11.517 -10.328 -0.322 1.00 0.00 N ATOM 0 H LYS A 54 13.376 -4.850 1.250 1.00 0.00 H new ATOM 0 HA LYS A 54 14.380 -4.710 -1.574 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.008 -6.656 -1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.903 -6.981 -0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.760 -5.822 0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.970 -6.315 -0.835 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.608 -8.203 0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.863 -8.063 1.009 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.701 -8.695 -1.413 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.447 -8.822 -1.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.429 -10.985 -1.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.380 -10.549 0.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.689 -10.426 0.299 1.00 0.00 H new ATOM 862 N ILE A 55 12.170 -3.769 -2.527 1.00 0.00 N ATOM 863 CA ILE A 55 11.033 -2.907 -2.959 1.00 0.00 C ATOM 864 C ILE A 55 9.966 -3.769 -3.632 1.00 0.00 C ATOM 865 O ILE A 55 10.268 -4.648 -4.416 1.00 0.00 O ATOM 866 CB ILE A 55 11.526 -1.847 -3.950 1.00 0.00 C ATOM 867 CG1 ILE A 55 12.781 -2.352 -4.669 1.00 0.00 C ATOM 868 CG2 ILE A 55 11.855 -0.560 -3.194 1.00 0.00 C ATOM 869 CD1 ILE A 55 13.339 -1.240 -5.561 1.00 0.00 C ATOM 0 H ILE A 55 12.738 -4.151 -3.283 1.00 0.00 H new ATOM 0 HA ILE A 55 10.610 -2.413 -2.085 1.00 0.00 H new ATOM 0 HB ILE A 55 10.746 -1.651 -4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 55 13.531 -2.660 -3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.541 -3.229 -5.270 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.206 0.195 -3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.961 -0.197 -2.688 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.633 -0.760 -2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 55 14.232 -1.598 -6.073 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.588 -0.953 -6.298 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.594 -0.376 -4.948 1.00 0.00 H new ATOM 881 N LYS A 56 8.719 -3.525 -3.336 1.00 0.00 N ATOM 882 CA LYS A 56 7.636 -4.333 -3.962 1.00 0.00 C ATOM 883 C LYS A 56 6.294 -3.633 -3.751 1.00 0.00 C ATOM 884 O LYS A 56 6.154 -2.781 -2.894 1.00 0.00 O ATOM 885 CB LYS A 56 7.594 -5.720 -3.317 1.00 0.00 C ATOM 886 CG LYS A 56 7.815 -5.589 -1.809 1.00 0.00 C ATOM 887 CD LYS A 56 7.829 -6.978 -1.171 1.00 0.00 C ATOM 888 CE LYS A 56 7.495 -6.861 0.317 1.00 0.00 C ATOM 889 NZ LYS A 56 7.972 -8.078 1.032 1.00 0.00 N ATOM 0 H LYS A 56 8.404 -2.802 -2.689 1.00 0.00 H new ATOM 0 HA LYS A 56 7.830 -4.436 -5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.633 -6.195 -3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.362 -6.359 -3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.757 -5.078 -1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.025 -4.982 -1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.105 -7.625 -1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.809 -7.439 -1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.965 -5.972 0.737 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.419 -6.746 0.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.165 -8.555 1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.422 -8.725 0.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.663 -7.805 1.760 1.00 0.00 H new ATOM 903 N HIS A 57 5.304 -3.983 -4.524 1.00 0.00 N ATOM 904 CA HIS A 57 3.973 -3.336 -4.362 1.00 0.00 C ATOM 905 C HIS A 57 2.887 -4.411 -4.374 1.00 0.00 C ATOM 906 O HIS A 57 3.121 -5.529 -4.770 1.00 0.00 O ATOM 907 CB HIS A 57 3.717 -2.344 -5.508 1.00 0.00 C ATOM 908 CG HIS A 57 5.007 -2.010 -6.208 1.00 0.00 C ATOM 909 ND1 HIS A 57 5.637 -2.903 -7.062 1.00 0.00 N ATOM 910 CD2 HIS A 57 5.797 -0.887 -6.193 1.00 0.00 C ATOM 911 CE1 HIS A 57 6.752 -2.308 -7.521 1.00 0.00 C ATOM 912 NE2 HIS A 57 6.898 -1.077 -7.023 1.00 0.00 N ATOM 0 H HIS A 57 5.359 -4.688 -5.259 1.00 0.00 H new ATOM 0 HA HIS A 57 3.955 -2.795 -3.416 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.010 -2.773 -6.218 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.262 -1.434 -5.116 1.00 0.00 H new ATOM 0 HD1 HIS A 57 5.313 -3.841 -7.299 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.595 0.008 -5.623 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.445 -2.769 -8.209 1.00 0.00 H new ATOM 920 N CYS A 58 1.700 -4.083 -3.948 1.00 0.00 N ATOM 921 CA CYS A 58 0.606 -5.095 -3.946 1.00 0.00 C ATOM 922 C CYS A 58 -0.598 -4.520 -4.696 1.00 0.00 C ATOM 923 O CYS A 58 -0.918 -3.354 -4.572 1.00 0.00 O ATOM 924 CB CYS A 58 0.223 -5.425 -2.500 1.00 0.00 C ATOM 925 SG CYS A 58 -1.346 -6.329 -2.472 1.00 0.00 S ATOM 0 H CYS A 58 1.439 -3.160 -3.601 1.00 0.00 H new ATOM 0 HA CYS A 58 0.936 -6.009 -4.439 1.00 0.00 H new ATOM 0 HB2 CYS A 58 1.006 -6.023 -2.034 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.135 -4.507 -1.919 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.127 -7.586 -2.721 1.00 0.00 H new ATOM 931 N ARG A 59 -1.260 -5.319 -5.488 1.00 0.00 N ATOM 932 CA ARG A 59 -2.427 -4.801 -6.259 1.00 0.00 C ATOM 933 C ARG A 59 -3.737 -5.264 -5.617 1.00 0.00 C ATOM 934 O ARG A 59 -3.787 -6.255 -4.917 1.00 0.00 O ATOM 935 CB ARG A 59 -2.354 -5.320 -7.696 1.00 0.00 C ATOM 936 CG ARG A 59 -2.659 -6.817 -7.714 1.00 0.00 C ATOM 937 CD ARG A 59 -4.154 -7.025 -7.957 1.00 0.00 C ATOM 938 NE ARG A 59 -4.393 -8.400 -8.486 1.00 0.00 N ATOM 939 CZ ARG A 59 -3.544 -8.940 -9.317 1.00 0.00 C ATOM 940 NH1 ARG A 59 -3.431 -8.469 -10.530 1.00 0.00 N ATOM 941 NH2 ARG A 59 -2.809 -9.948 -8.937 1.00 0.00 N ATOM 0 H ARG A 59 -1.044 -6.305 -5.635 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.399 -3.711 -6.256 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.067 -4.785 -8.324 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.363 -5.135 -8.111 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.080 -7.308 -8.496 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.366 -7.271 -6.767 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.706 -6.882 -7.028 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.523 -6.283 -8.665 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.222 -8.919 -8.197 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.006 -7.680 -10.826 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.768 -8.890 -11.181 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.897 -10.315 -7.989 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.146 -10.369 -9.587 1.00 0.00 H new ATOM 955 N VAL A 60 -4.801 -4.549 -5.867 1.00 0.00 N ATOM 956 CA VAL A 60 -6.122 -4.929 -5.293 1.00 0.00 C ATOM 957 C VAL A 60 -7.186 -4.812 -6.387 1.00 0.00 C ATOM 958 O VAL A 60 -7.052 -4.028 -7.307 1.00 0.00 O ATOM 959 CB VAL A 60 -6.465 -3.987 -4.138 1.00 0.00 C ATOM 960 CG1 VAL A 60 -6.611 -2.559 -4.671 1.00 0.00 C ATOM 961 CG2 VAL A 60 -7.783 -4.425 -3.493 1.00 0.00 C ATOM 0 H VAL A 60 -4.810 -3.711 -6.449 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.087 -5.953 -4.920 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.668 -4.020 -3.395 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.856 -1.887 -3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.674 -2.244 -5.130 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.408 -2.528 -5.414 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.026 -3.753 -2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.580 -4.393 -4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.682 -5.442 -3.113 1.00 0.00 H new ATOM 971 N GLN A 61 -8.238 -5.581 -6.307 1.00 0.00 N ATOM 972 CA GLN A 61 -9.292 -5.500 -7.360 1.00 0.00 C ATOM 973 C GLN A 61 -10.668 -5.333 -6.711 1.00 0.00 C ATOM 974 O GLN A 61 -11.114 -6.174 -5.959 1.00 0.00 O ATOM 975 CB GLN A 61 -9.276 -6.781 -8.197 1.00 0.00 C ATOM 976 CG GLN A 61 -9.391 -7.995 -7.274 1.00 0.00 C ATOM 977 CD GLN A 61 -10.726 -8.699 -7.525 1.00 0.00 C ATOM 978 OE1 GLN A 61 -11.669 -8.522 -6.779 1.00 0.00 O ATOM 979 NE2 GLN A 61 -10.844 -9.498 -8.550 1.00 0.00 N ATOM 0 H GLN A 61 -8.413 -6.257 -5.564 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.092 -4.641 -8.000 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -10.101 -6.773 -8.909 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.355 -6.838 -8.777 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.565 -8.683 -7.455 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.323 -7.682 -6.232 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.052 -9.646 -9.175 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -11.728 -9.975 -8.726 1.00 0.00 H new ATOM 988 N GLN A 62 -11.342 -4.254 -7.001 1.00 0.00 N ATOM 989 CA GLN A 62 -12.690 -4.031 -6.403 1.00 0.00 C ATOM 990 C GLN A 62 -13.755 -4.726 -7.257 1.00 0.00 C ATOM 991 O GLN A 62 -13.682 -4.739 -8.469 1.00 0.00 O ATOM 992 CB GLN A 62 -12.979 -2.529 -6.349 1.00 0.00 C ATOM 993 CG GLN A 62 -13.236 -2.007 -7.764 1.00 0.00 C ATOM 994 CD GLN A 62 -12.543 -0.656 -7.944 1.00 0.00 C ATOM 995 OE1 GLN A 62 -13.191 0.350 -8.153 1.00 0.00 O ATOM 996 NE2 GLN A 62 -11.242 -0.591 -7.870 1.00 0.00 N ATOM 0 H GLN A 62 -11.018 -3.516 -7.627 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.712 -4.444 -5.395 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -13.846 -2.337 -5.716 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -12.136 -2.002 -5.903 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -12.863 -2.720 -8.499 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.307 -1.904 -7.936 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.698 -1.436 -7.694 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.769 0.305 -7.988 1.00 0.00 H new ATOM 1005 N GLU A 63 -14.747 -5.303 -6.632 1.00 0.00 N ATOM 1006 CA GLU A 63 -15.815 -5.993 -7.410 1.00 0.00 C ATOM 1007 C GLU A 63 -17.106 -6.039 -6.587 1.00 0.00 C ATOM 1008 O GLU A 63 -17.087 -6.298 -5.399 1.00 0.00 O ATOM 1009 CB GLU A 63 -15.370 -7.420 -7.734 1.00 0.00 C ATOM 1010 CG GLU A 63 -15.157 -8.198 -6.434 1.00 0.00 C ATOM 1011 CD GLU A 63 -16.466 -8.875 -6.022 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -17.024 -9.586 -6.840 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -16.885 -8.671 -4.896 1.00 0.00 O ATOM 0 H GLU A 63 -14.863 -5.326 -5.619 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.995 -5.447 -8.336 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.122 -7.916 -8.348 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.447 -7.401 -8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.376 -8.946 -6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.820 -7.524 -5.646 1.00 0.00 H new ATOM 1020 N GLY A 64 -18.227 -5.792 -7.209 1.00 0.00 N ATOM 1021 CA GLY A 64 -19.519 -5.827 -6.465 1.00 0.00 C ATOM 1022 C GLY A 64 -19.656 -4.569 -5.604 1.00 0.00 C ATOM 1023 O GLY A 64 -20.182 -4.610 -4.509 1.00 0.00 O ATOM 0 H GLY A 64 -18.304 -5.567 -8.201 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -20.351 -5.891 -7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -19.563 -6.716 -5.836 1.00 0.00 H new ATOM 1027 N GLN A 65 -19.191 -3.451 -6.090 1.00 0.00 N ATOM 1028 CA GLN A 65 -19.299 -2.193 -5.296 1.00 0.00 C ATOM 1029 C GLN A 65 -18.461 -2.319 -4.022 1.00 0.00 C ATOM 1030 O GLN A 65 -18.544 -1.501 -3.129 1.00 0.00 O ATOM 1031 CB GLN A 65 -20.763 -1.948 -4.923 1.00 0.00 C ATOM 1032 CG GLN A 65 -21.139 -0.504 -5.257 1.00 0.00 C ATOM 1033 CD GLN A 65 -20.855 -0.231 -6.735 1.00 0.00 C ATOM 1034 OE1 GLN A 65 -20.501 0.871 -7.105 1.00 0.00 O ATOM 1035 NE2 GLN A 65 -20.994 -1.196 -7.602 1.00 0.00 N ATOM 0 H GLN A 65 -18.742 -3.353 -7.001 1.00 0.00 H new ATOM 0 HA GLN A 65 -18.931 -1.356 -5.890 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -21.408 -2.638 -5.466 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -20.916 -2.138 -3.861 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -22.193 -0.332 -5.041 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.569 0.185 -4.633 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -21.291 -2.121 -7.292 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -20.806 -1.025 -8.590 1.00 0.00 H new ATOM 1044 N THR A 66 -17.653 -3.339 -3.934 1.00 0.00 N ATOM 1045 CA THR A 66 -16.806 -3.522 -2.724 1.00 0.00 C ATOM 1046 C THR A 66 -15.341 -3.630 -3.154 1.00 0.00 C ATOM 1047 O THR A 66 -15.027 -3.552 -4.324 1.00 0.00 O ATOM 1048 CB THR A 66 -17.227 -4.805 -2.009 1.00 0.00 C ATOM 1049 OG1 THR A 66 -18.485 -5.234 -2.509 1.00 0.00 O ATOM 1050 CG2 THR A 66 -17.334 -4.549 -0.506 1.00 0.00 C ATOM 0 H THR A 66 -17.543 -4.056 -4.651 1.00 0.00 H new ATOM 0 HA THR A 66 -16.927 -2.674 -2.050 1.00 0.00 H new ATOM 0 HB THR A 66 -16.480 -5.579 -2.188 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.755 -6.058 -2.052 1.00 0.00 H new ATOM 0 HG21 THR A 66 -17.635 -5.467 -0.001 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.367 -4.224 -0.123 1.00 0.00 H new ATOM 0 HG23 THR A 66 -18.077 -3.773 -0.321 1.00 0.00 H new ATOM 1058 N VAL A 67 -14.440 -3.812 -2.226 1.00 0.00 N ATOM 1059 CA VAL A 67 -13.005 -3.924 -2.612 1.00 0.00 C ATOM 1060 C VAL A 67 -12.488 -5.327 -2.285 1.00 0.00 C ATOM 1061 O VAL A 67 -12.820 -5.900 -1.266 1.00 0.00 O ATOM 1062 CB VAL A 67 -12.174 -2.870 -1.860 1.00 0.00 C ATOM 1063 CG1 VAL A 67 -11.750 -3.402 -0.484 1.00 0.00 C ATOM 1064 CG2 VAL A 67 -10.921 -2.543 -2.676 1.00 0.00 C ATOM 0 H VAL A 67 -14.633 -3.887 -1.227 1.00 0.00 H new ATOM 0 HA VAL A 67 -12.910 -3.750 -3.684 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.781 -1.975 -1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.163 -2.644 0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.637 -3.639 0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.148 -4.302 -0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.328 -1.796 -2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.329 -3.448 -2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.213 -2.152 -3.650 1.00 0.00 H new ATOM 1074 N MET A 68 -11.664 -5.872 -3.132 1.00 0.00 N ATOM 1075 CA MET A 68 -11.107 -7.223 -2.864 1.00 0.00 C ATOM 1076 C MET A 68 -9.635 -7.069 -2.484 1.00 0.00 C ATOM 1077 O MET A 68 -8.780 -6.894 -3.332 1.00 0.00 O ATOM 1078 CB MET A 68 -11.228 -8.093 -4.117 1.00 0.00 C ATOM 1079 CG MET A 68 -11.472 -9.547 -3.708 1.00 0.00 C ATOM 1080 SD MET A 68 -10.932 -10.647 -5.039 1.00 0.00 S ATOM 1081 CE MET A 68 -9.900 -11.737 -4.027 1.00 0.00 C ATOM 0 H MET A 68 -11.352 -5.438 -4.001 1.00 0.00 H new ATOM 0 HA MET A 68 -11.657 -7.700 -2.053 1.00 0.00 H new ATOM 0 HB2 MET A 68 -12.048 -7.737 -4.742 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.318 -8.020 -4.713 1.00 0.00 H new ATOM 0 HG2 MET A 68 -10.928 -9.774 -2.791 1.00 0.00 H new ATOM 0 HG3 MET A 68 -12.530 -9.704 -3.498 1.00 0.00 H new ATOM 0 HE1 MET A 68 -9.793 -12.701 -4.524 1.00 0.00 H new ATOM 0 HE2 MET A 68 -8.917 -11.286 -3.893 1.00 0.00 H new ATOM 0 HE3 MET A 68 -10.368 -11.881 -3.053 1.00 0.00 H new ATOM 1091 N LEU A 69 -9.336 -7.124 -1.214 1.00 0.00 N ATOM 1092 CA LEU A 69 -7.927 -6.971 -0.775 1.00 0.00 C ATOM 1093 C LEU A 69 -7.450 -8.295 -0.182 1.00 0.00 C ATOM 1094 O LEU A 69 -7.488 -8.504 1.015 1.00 0.00 O ATOM 1095 CB LEU A 69 -7.836 -5.864 0.282 1.00 0.00 C ATOM 1096 CG LEU A 69 -6.370 -5.483 0.518 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -5.667 -6.593 1.302 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -5.666 -5.289 -0.828 1.00 0.00 C ATOM 0 H LEU A 69 -10.011 -7.269 -0.463 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.299 -6.701 -1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.399 -4.990 -0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.287 -6.203 1.215 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.329 -4.555 1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.625 -6.318 1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.163 -6.730 2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.711 -7.523 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.624 -5.018 -0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.711 -6.216 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.161 -4.494 -1.386 1.00 0.00 H new ATOM 1110 N GLY A 70 -7.012 -9.199 -1.012 1.00 0.00 N ATOM 1111 CA GLY A 70 -6.543 -10.511 -0.496 1.00 0.00 C ATOM 1112 C GLY A 70 -7.704 -11.505 -0.502 1.00 0.00 C ATOM 1113 O GLY A 70 -8.329 -11.740 -1.517 1.00 0.00 O ATOM 0 H GLY A 70 -6.959 -9.085 -2.024 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.726 -10.886 -1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.152 -10.398 0.515 1.00 0.00 H new ATOM 1117 N ASN A 71 -8.000 -12.089 0.626 1.00 0.00 N ATOM 1118 CA ASN A 71 -9.124 -13.065 0.686 1.00 0.00 C ATOM 1119 C ASN A 71 -10.263 -12.473 1.517 1.00 0.00 C ATOM 1120 O ASN A 71 -10.972 -13.177 2.208 1.00 0.00 O ATOM 1121 CB ASN A 71 -8.638 -14.364 1.336 1.00 0.00 C ATOM 1122 CG ASN A 71 -9.706 -15.446 1.174 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -10.344 -15.538 0.143 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -9.930 -16.278 2.154 1.00 0.00 N ATOM 0 H ASN A 71 -7.513 -11.933 1.508 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.479 -13.276 -0.323 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -7.705 -14.687 0.874 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.430 -14.199 2.393 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.639 -17.004 2.054 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.396 -16.202 3.020 1.00 0.00 H new ATOM 1131 N SER A 72 -10.443 -11.182 1.456 1.00 0.00 N ATOM 1132 CA SER A 72 -11.534 -10.544 2.244 1.00 0.00 C ATOM 1133 C SER A 72 -12.071 -9.327 1.487 1.00 0.00 C ATOM 1134 O SER A 72 -11.341 -8.632 0.806 1.00 0.00 O ATOM 1135 CB SER A 72 -10.987 -10.098 3.601 1.00 0.00 C ATOM 1136 OG SER A 72 -12.070 -9.713 4.439 1.00 0.00 O ATOM 0 H SER A 72 -9.882 -10.542 0.894 1.00 0.00 H new ATOM 0 HA SER A 72 -12.340 -11.262 2.393 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.424 -10.909 4.064 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.297 -9.264 3.472 1.00 0.00 H new ATOM 0 HG SER A 72 -11.724 -9.428 5.310 1.00 0.00 H new ATOM 1142 N GLU A 73 -13.344 -9.062 1.604 1.00 0.00 N ATOM 1143 CA GLU A 73 -13.933 -7.891 0.896 1.00 0.00 C ATOM 1144 C GLU A 73 -14.227 -6.784 1.910 1.00 0.00 C ATOM 1145 O GLU A 73 -14.957 -6.981 2.862 1.00 0.00 O ATOM 1146 CB GLU A 73 -15.231 -8.312 0.205 1.00 0.00 C ATOM 1147 CG GLU A 73 -15.638 -7.244 -0.811 1.00 0.00 C ATOM 1148 CD GLU A 73 -15.605 -7.839 -2.221 1.00 0.00 C ATOM 1149 OE1 GLU A 73 -16.337 -8.785 -2.460 1.00 0.00 O ATOM 1150 OE2 GLU A 73 -14.849 -7.339 -3.036 1.00 0.00 O ATOM 0 H GLU A 73 -14.002 -9.607 2.161 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.230 -7.523 0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.095 -9.271 -0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -16.021 -8.447 0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.638 -6.874 -0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.961 -6.392 -0.749 1.00 0.00 H new ATOM 1157 N PHE A 74 -13.664 -5.622 1.720 1.00 0.00 N ATOM 1158 CA PHE A 74 -13.911 -4.508 2.679 1.00 0.00 C ATOM 1159 C PHE A 74 -14.792 -3.446 2.020 1.00 0.00 C ATOM 1160 O PHE A 74 -15.277 -3.622 0.920 1.00 0.00 O ATOM 1161 CB PHE A 74 -12.577 -3.881 3.088 1.00 0.00 C ATOM 1162 CG PHE A 74 -12.067 -4.557 4.337 1.00 0.00 C ATOM 1163 CD1 PHE A 74 -11.256 -5.694 4.237 1.00 0.00 C ATOM 1164 CD2 PHE A 74 -12.403 -4.047 5.597 1.00 0.00 C ATOM 1165 CE1 PHE A 74 -10.781 -6.321 5.396 1.00 0.00 C ATOM 1166 CE2 PHE A 74 -11.928 -4.674 6.756 1.00 0.00 C ATOM 1167 CZ PHE A 74 -11.118 -5.810 6.655 1.00 0.00 C ATOM 0 H PHE A 74 -13.044 -5.396 0.942 1.00 0.00 H new ATOM 0 HA PHE A 74 -14.416 -4.899 3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.851 -3.986 2.282 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -12.704 -2.813 3.265 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.996 -6.088 3.265 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -13.028 -3.170 5.675 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.155 -7.198 5.318 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -12.187 -4.280 7.728 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.752 -6.293 7.549 1.00 0.00 H new ATOM 1177 N ASP A 75 -15.006 -2.345 2.686 1.00 0.00 N ATOM 1178 CA ASP A 75 -15.860 -1.273 2.103 1.00 0.00 C ATOM 1179 C ASP A 75 -15.109 -0.570 0.970 1.00 0.00 C ATOM 1180 O ASP A 75 -15.665 -0.293 -0.074 1.00 0.00 O ATOM 1181 CB ASP A 75 -16.209 -0.254 3.191 1.00 0.00 C ATOM 1182 CG ASP A 75 -17.230 -0.864 4.152 1.00 0.00 C ATOM 1183 OD1 ASP A 75 -18.160 -1.494 3.677 1.00 0.00 O ATOM 1184 OD2 ASP A 75 -17.065 -0.690 5.349 1.00 0.00 O ATOM 0 H ASP A 75 -14.626 -2.141 3.610 1.00 0.00 H new ATOM 0 HA ASP A 75 -16.774 -1.716 1.708 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -15.310 0.036 3.735 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -16.614 0.652 2.740 1.00 0.00 H new ATOM 1189 N SER A 76 -13.852 -0.276 1.165 1.00 0.00 N ATOM 1190 CA SER A 76 -13.077 0.412 0.094 1.00 0.00 C ATOM 1191 C SER A 76 -11.597 0.449 0.475 1.00 0.00 C ATOM 1192 O SER A 76 -11.118 -0.376 1.228 1.00 0.00 O ATOM 1193 CB SER A 76 -13.597 1.840 -0.069 1.00 0.00 C ATOM 1194 OG SER A 76 -13.321 2.577 1.114 1.00 0.00 O ATOM 0 H SER A 76 -13.330 -0.482 2.017 1.00 0.00 H new ATOM 0 HA SER A 76 -13.195 -0.129 -0.845 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.123 2.316 -0.927 1.00 0.00 H new ATOM 0 HB3 SER A 76 -14.670 1.829 -0.263 1.00 0.00 H new ATOM 0 HG SER A 76 -13.651 3.494 1.013 1.00 0.00 H new ATOM 1200 N LEU A 77 -10.866 1.401 -0.039 1.00 0.00 N ATOM 1201 CA LEU A 77 -9.418 1.492 0.294 1.00 0.00 C ATOM 1202 C LEU A 77 -9.247 2.263 1.604 1.00 0.00 C ATOM 1203 O LEU A 77 -8.270 2.101 2.309 1.00 0.00 O ATOM 1204 CB LEU A 77 -8.681 2.226 -0.828 1.00 0.00 C ATOM 1205 CG LEU A 77 -7.626 1.300 -1.436 1.00 0.00 C ATOM 1206 CD1 LEU A 77 -8.268 0.440 -2.527 1.00 0.00 C ATOM 1207 CD2 LEU A 77 -6.503 2.141 -2.048 1.00 0.00 C ATOM 0 H LEU A 77 -11.211 2.120 -0.676 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.006 0.489 0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.388 2.543 -1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.208 3.127 -0.438 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.218 0.655 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.516 -0.220 -2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.070 -0.158 -2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.676 1.085 -3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.750 1.483 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.913 2.785 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.045 2.755 -1.273 1.00 0.00 H new ATOM 1219 N VAL A 78 -10.194 3.098 1.940 1.00 0.00 N ATOM 1220 CA VAL A 78 -10.087 3.874 3.206 1.00 0.00 C ATOM 1221 C VAL A 78 -10.284 2.928 4.390 1.00 0.00 C ATOM 1222 O VAL A 78 -9.365 2.657 5.138 1.00 0.00 O ATOM 1223 CB VAL A 78 -11.163 4.959 3.233 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -10.909 5.904 4.409 1.00 0.00 C ATOM 1225 CG2 VAL A 78 -11.119 5.753 1.925 1.00 0.00 C ATOM 0 H VAL A 78 -11.036 3.275 1.392 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.104 4.341 3.269 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.142 4.494 3.346 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.677 6.677 4.427 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.939 5.341 5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.929 6.368 4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.886 6.527 1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.139 6.216 1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.301 5.082 1.086 1.00 0.00 H new ATOM 1235 N ASP A 79 -11.472 2.418 4.562 1.00 0.00 N ATOM 1236 CA ASP A 79 -11.715 1.481 5.695 1.00 0.00 C ATOM 1237 C ASP A 79 -10.676 0.362 5.639 1.00 0.00 C ATOM 1238 O ASP A 79 -10.329 -0.233 6.642 1.00 0.00 O ATOM 1239 CB ASP A 79 -13.119 0.884 5.575 1.00 0.00 C ATOM 1240 CG ASP A 79 -14.150 2.010 5.492 1.00 0.00 C ATOM 1241 OD1 ASP A 79 -14.590 2.461 6.537 1.00 0.00 O ATOM 1242 OD2 ASP A 79 -14.483 2.402 4.385 1.00 0.00 O ATOM 0 H ASP A 79 -12.281 2.608 3.971 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.635 2.015 6.642 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.182 0.253 4.688 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.329 0.248 6.435 1.00 0.00 H new ATOM 1247 N LEU A 80 -10.173 0.077 4.469 1.00 0.00 N ATOM 1248 CA LEU A 80 -9.151 -0.997 4.340 1.00 0.00 C ATOM 1249 C LEU A 80 -7.961 -0.665 5.240 1.00 0.00 C ATOM 1250 O LEU A 80 -7.510 -1.484 6.014 1.00 0.00 O ATOM 1251 CB LEU A 80 -8.686 -1.090 2.885 1.00 0.00 C ATOM 1252 CG LEU A 80 -9.029 -2.471 2.322 1.00 0.00 C ATOM 1253 CD1 LEU A 80 -8.961 -2.432 0.796 1.00 0.00 C ATOM 1254 CD2 LEU A 80 -8.026 -3.498 2.851 1.00 0.00 C ATOM 0 H LEU A 80 -10.426 0.542 3.597 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.582 -1.953 4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.166 -0.314 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.611 -0.919 2.825 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.036 -2.751 2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.205 -3.416 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.674 -1.699 0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.955 -2.153 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.268 -4.483 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.020 -3.218 2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.074 -3.526 3.940 1.00 0.00 H new ATOM 1266 N ILE A 81 -7.457 0.537 5.149 1.00 0.00 N ATOM 1267 CA ILE A 81 -6.303 0.923 6.006 1.00 0.00 C ATOM 1268 C ILE A 81 -6.796 1.082 7.451 1.00 0.00 C ATOM 1269 O ILE A 81 -6.030 1.011 8.392 1.00 0.00 O ATOM 1270 CB ILE A 81 -5.692 2.237 5.466 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -4.231 1.986 5.086 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -5.752 3.362 6.509 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -4.168 1.302 3.719 1.00 0.00 C ATOM 0 H ILE A 81 -7.795 1.265 4.520 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.528 0.157 5.988 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.271 2.550 4.597 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.685 2.929 5.058 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.751 1.361 5.839 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.313 4.268 6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.791 3.553 6.779 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.195 3.065 7.397 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.127 1.124 3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.700 0.351 3.763 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.632 1.943 2.970 1.00 0.00 H new ATOM 1285 N SER A 82 -8.072 1.291 7.627 1.00 0.00 N ATOM 1286 CA SER A 82 -8.621 1.452 9.001 1.00 0.00 C ATOM 1287 C SER A 82 -8.291 0.212 9.833 1.00 0.00 C ATOM 1288 O SER A 82 -7.654 0.299 10.865 1.00 0.00 O ATOM 1289 CB SER A 82 -10.139 1.627 8.927 1.00 0.00 C ATOM 1290 OG SER A 82 -10.605 2.198 10.142 1.00 0.00 O ATOM 0 H SER A 82 -8.759 1.357 6.876 1.00 0.00 H new ATOM 0 HA SER A 82 -8.176 2.331 9.468 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.402 2.268 8.086 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.620 0.664 8.756 1.00 0.00 H new ATOM 0 HG SER A 82 -11.577 2.313 10.098 1.00 0.00 H new ATOM 1296 N TYR A 83 -8.719 -0.943 9.399 1.00 0.00 N ATOM 1297 CA TYR A 83 -8.423 -2.180 10.177 1.00 0.00 C ATOM 1298 C TYR A 83 -6.979 -2.619 9.910 1.00 0.00 C ATOM 1299 O TYR A 83 -6.359 -3.281 10.721 1.00 0.00 O ATOM 1300 CB TYR A 83 -9.402 -3.293 9.775 1.00 0.00 C ATOM 1301 CG TYR A 83 -8.949 -3.959 8.495 1.00 0.00 C ATOM 1302 CD1 TYR A 83 -9.373 -3.460 7.258 1.00 0.00 C ATOM 1303 CD2 TYR A 83 -8.110 -5.078 8.549 1.00 0.00 C ATOM 1304 CE1 TYR A 83 -8.957 -4.082 6.074 1.00 0.00 C ATOM 1305 CE2 TYR A 83 -7.694 -5.699 7.365 1.00 0.00 C ATOM 1306 CZ TYR A 83 -8.119 -5.201 6.127 1.00 0.00 C ATOM 1307 OH TYR A 83 -7.711 -5.813 4.960 1.00 0.00 O ATOM 0 H TYR A 83 -9.258 -1.083 8.544 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.541 -1.978 11.242 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -9.469 -4.033 10.573 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -10.401 -2.877 9.642 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -10.020 -2.596 7.216 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.783 -5.462 9.504 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.284 -3.697 5.119 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -7.046 -6.562 7.406 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.807 -5.511 4.731 1.00 0.00 H new ATOM 1317 N TYR A 84 -6.435 -2.249 8.783 1.00 0.00 N ATOM 1318 CA TYR A 84 -5.032 -2.641 8.475 1.00 0.00 C ATOM 1319 C TYR A 84 -4.085 -1.862 9.388 1.00 0.00 C ATOM 1320 O TYR A 84 -2.915 -2.171 9.497 1.00 0.00 O ATOM 1321 CB TYR A 84 -4.714 -2.316 7.013 1.00 0.00 C ATOM 1322 CG TYR A 84 -4.821 -3.572 6.180 1.00 0.00 C ATOM 1323 CD1 TYR A 84 -4.298 -4.779 6.659 1.00 0.00 C ATOM 1324 CD2 TYR A 84 -5.443 -3.528 4.926 1.00 0.00 C ATOM 1325 CE1 TYR A 84 -4.397 -5.942 5.884 1.00 0.00 C ATOM 1326 CE2 TYR A 84 -5.542 -4.689 4.153 1.00 0.00 C ATOM 1327 CZ TYR A 84 -5.019 -5.896 4.631 1.00 0.00 C ATOM 1328 OH TYR A 84 -5.117 -7.041 3.868 1.00 0.00 O ATOM 0 H TYR A 84 -6.900 -1.694 8.065 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.907 -3.711 8.639 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.405 -1.560 6.639 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -3.710 -1.899 6.933 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.818 -4.814 7.626 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -5.846 -2.597 4.556 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -3.994 -6.873 6.253 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.022 -4.654 3.186 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.265 -7.203 3.411 1.00 0.00 H new ATOM 1338 N GLU A 85 -4.583 -0.854 10.053 1.00 0.00 N ATOM 1339 CA GLU A 85 -3.712 -0.063 10.963 1.00 0.00 C ATOM 1340 C GLU A 85 -3.246 -0.963 12.109 1.00 0.00 C ATOM 1341 O GLU A 85 -2.296 -0.662 12.804 1.00 0.00 O ATOM 1342 CB GLU A 85 -4.503 1.119 11.528 1.00 0.00 C ATOM 1343 CG GLU A 85 -3.980 2.422 10.919 1.00 0.00 C ATOM 1344 CD GLU A 85 -3.464 3.336 12.033 1.00 0.00 C ATOM 1345 OE1 GLU A 85 -4.282 3.980 12.669 1.00 0.00 O ATOM 1346 OE2 GLU A 85 -2.261 3.375 12.230 1.00 0.00 O ATOM 0 H GLU A 85 -5.554 -0.546 10.004 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.848 0.313 10.415 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.563 1.001 11.304 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.407 1.149 12.613 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.180 2.209 10.210 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.774 2.921 10.364 1.00 0.00 H new ATOM 1353 N LYS A 86 -3.910 -2.068 12.305 1.00 0.00 N ATOM 1354 CA LYS A 86 -3.512 -2.998 13.398 1.00 0.00 C ATOM 1355 C LYS A 86 -2.982 -4.297 12.787 1.00 0.00 C ATOM 1356 O LYS A 86 -2.052 -4.897 13.290 1.00 0.00 O ATOM 1357 CB LYS A 86 -4.729 -3.306 14.274 1.00 0.00 C ATOM 1358 CG LYS A 86 -4.759 -2.346 15.465 1.00 0.00 C ATOM 1359 CD LYS A 86 -3.962 -2.945 16.626 1.00 0.00 C ATOM 1360 CE LYS A 86 -3.020 -1.886 17.199 1.00 0.00 C ATOM 1361 NZ LYS A 86 -3.820 -0.809 17.849 1.00 0.00 N ATOM 0 H LYS A 86 -4.714 -2.368 11.753 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.735 -2.536 14.007 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.644 -3.207 13.691 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.685 -4.337 14.626 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.337 -1.383 15.179 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.789 -2.164 15.773 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.641 -3.301 17.401 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.391 -3.807 16.282 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.344 -2.339 17.924 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.402 -1.466 16.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.183 -0.161 18.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.346 -0.281 17.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.490 -1.232 18.523 1.00 0.00 H new ATOM 1375 N HIS A 87 -3.567 -4.737 11.706 1.00 0.00 N ATOM 1376 CA HIS A 87 -3.097 -5.997 11.063 1.00 0.00 C ATOM 1377 C HIS A 87 -2.189 -5.660 9.878 1.00 0.00 C ATOM 1378 O HIS A 87 -2.301 -4.604 9.290 1.00 0.00 O ATOM 1379 CB HIS A 87 -4.303 -6.799 10.571 1.00 0.00 C ATOM 1380 CG HIS A 87 -4.887 -7.580 11.717 1.00 0.00 C ATOM 1381 ND1 HIS A 87 -4.287 -8.729 12.210 1.00 0.00 N ATOM 1382 CD2 HIS A 87 -6.013 -7.390 12.478 1.00 0.00 C ATOM 1383 CE1 HIS A 87 -5.048 -9.181 13.223 1.00 0.00 C ATOM 1384 NE2 HIS A 87 -6.112 -8.401 13.429 1.00 0.00 N ATOM 0 H HIS A 87 -4.350 -4.278 11.240 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.539 -6.588 11.789 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.054 -6.128 10.154 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.002 -7.476 9.772 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.716 -6.579 12.357 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.825 -10.067 13.799 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.841 -8.521 14.132 1.00 0.00 H new ATOM 1392 N PRO A 88 -1.313 -6.576 9.568 1.00 0.00 N ATOM 1393 CA PRO A 88 -0.329 -6.468 8.459 1.00 0.00 C ATOM 1394 C PRO A 88 -1.008 -6.753 7.116 1.00 0.00 C ATOM 1395 O PRO A 88 -2.018 -7.424 7.050 1.00 0.00 O ATOM 1396 CB PRO A 88 0.736 -7.522 8.754 1.00 0.00 C ATOM 1397 CG PRO A 88 0.068 -8.563 9.656 1.00 0.00 C ATOM 1398 CD PRO A 88 -1.160 -7.881 10.273 1.00 0.00 C ATOM 0 HA PRO A 88 0.101 -5.468 8.393 1.00 0.00 H new ATOM 0 HB2 PRO A 88 1.097 -7.979 7.833 1.00 0.00 H new ATOM 0 HB3 PRO A 88 1.599 -7.076 9.248 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.224 -9.443 9.083 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.754 -8.902 10.432 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.051 -8.497 10.148 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.024 -7.731 11.344 1.00 0.00 H new ATOM 1406 N LEU A 89 -0.459 -6.246 6.046 1.00 0.00 N ATOM 1407 CA LEU A 89 -1.068 -6.484 4.707 1.00 0.00 C ATOM 1408 C LEU A 89 -0.394 -7.689 4.048 1.00 0.00 C ATOM 1409 O LEU A 89 -1.017 -8.701 3.796 1.00 0.00 O ATOM 1410 CB LEU A 89 -0.869 -5.242 3.833 1.00 0.00 C ATOM 1411 CG LEU A 89 -1.175 -5.582 2.374 1.00 0.00 C ATOM 1412 CD1 LEU A 89 -2.129 -4.537 1.794 1.00 0.00 C ATOM 1413 CD2 LEU A 89 0.127 -5.584 1.568 1.00 0.00 C ATOM 0 H LEU A 89 0.387 -5.676 6.042 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.134 -6.683 4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.522 -4.438 4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.156 -4.881 3.925 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.639 -6.567 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.346 -4.780 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.056 -4.533 2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.665 -3.552 1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.090 -5.826 0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.590 -4.599 1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.809 -6.328 1.980 1.00 0.00 H new ATOM 1425 N TYR A 90 0.875 -7.588 3.769 1.00 0.00 N ATOM 1426 CA TYR A 90 1.594 -8.724 3.127 1.00 0.00 C ATOM 1427 C TYR A 90 2.445 -9.443 4.180 1.00 0.00 C ATOM 1428 O TYR A 90 2.628 -8.955 5.276 1.00 0.00 O ATOM 1429 CB TYR A 90 2.493 -8.186 2.010 1.00 0.00 C ATOM 1430 CG TYR A 90 3.079 -9.334 1.222 1.00 0.00 C ATOM 1431 CD1 TYR A 90 2.259 -10.385 0.798 1.00 0.00 C ATOM 1432 CD2 TYR A 90 4.446 -9.345 0.915 1.00 0.00 C ATOM 1433 CE1 TYR A 90 2.804 -11.448 0.067 1.00 0.00 C ATOM 1434 CE2 TYR A 90 4.991 -10.408 0.185 1.00 0.00 C ATOM 1435 CZ TYR A 90 4.170 -11.460 -0.239 1.00 0.00 C ATOM 1436 OH TYR A 90 4.707 -12.507 -0.960 1.00 0.00 O ATOM 0 H TYR A 90 1.447 -6.765 3.958 1.00 0.00 H new ATOM 0 HA TYR A 90 0.876 -9.426 2.704 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.918 -7.537 1.350 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.293 -7.580 2.435 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.205 -10.377 1.034 1.00 0.00 H new ATOM 0 HD2 TYR A 90 5.079 -8.533 1.242 1.00 0.00 H new ATOM 0 HE1 TYR A 90 2.170 -12.259 -0.261 1.00 0.00 H new ATOM 0 HE2 TYR A 90 6.045 -10.417 -0.051 1.00 0.00 H new ATOM 0 HH TYR A 90 5.667 -12.359 -1.086 1.00 0.00 H new ATOM 1446 N ARG A 91 2.961 -10.601 3.861 1.00 0.00 N ATOM 1447 CA ARG A 91 3.795 -11.350 4.846 1.00 0.00 C ATOM 1448 C ARG A 91 5.073 -10.561 5.152 1.00 0.00 C ATOM 1449 O ARG A 91 6.088 -10.742 4.507 1.00 0.00 O ATOM 1450 CB ARG A 91 4.180 -12.707 4.251 1.00 0.00 C ATOM 1451 CG ARG A 91 3.040 -13.702 4.460 1.00 0.00 C ATOM 1452 CD ARG A 91 2.239 -13.840 3.164 1.00 0.00 C ATOM 1453 NE ARG A 91 3.077 -14.517 2.134 1.00 0.00 N ATOM 1454 CZ ARG A 91 2.521 -15.011 1.062 1.00 0.00 C ATOM 1455 NH1 ARG A 91 1.515 -14.395 0.506 1.00 0.00 N ATOM 1456 NH2 ARG A 91 2.972 -16.121 0.546 1.00 0.00 N ATOM 0 H ARG A 91 2.840 -11.061 2.959 1.00 0.00 H new ATOM 0 HA ARG A 91 3.226 -11.491 5.765 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.393 -12.601 3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.090 -13.077 4.723 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.439 -14.671 4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.391 -13.363 5.267 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.330 -14.414 3.344 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.929 -12.857 2.808 1.00 0.00 H new ATOM 0 HE ARG A 91 4.085 -14.594 2.267 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.163 -13.527 0.909 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.081 -14.781 -0.332 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.759 -16.603 0.981 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.537 -16.507 -0.292 1.00 0.00 H new ATOM 1470 N LYS A 92 5.039 -9.695 6.129 1.00 0.00 N ATOM 1471 CA LYS A 92 6.260 -8.906 6.468 1.00 0.00 C ATOM 1472 C LYS A 92 5.898 -7.797 7.463 1.00 0.00 C ATOM 1473 O LYS A 92 5.841 -8.018 8.657 1.00 0.00 O ATOM 1474 CB LYS A 92 6.841 -8.285 5.194 1.00 0.00 C ATOM 1475 CG LYS A 92 5.707 -7.943 4.225 1.00 0.00 C ATOM 1476 CD LYS A 92 6.159 -6.823 3.286 1.00 0.00 C ATOM 1477 CE LYS A 92 5.572 -5.491 3.758 1.00 0.00 C ATOM 1478 NZ LYS A 92 6.670 -4.617 4.260 1.00 0.00 N ATOM 0 H LYS A 92 4.221 -9.500 6.706 1.00 0.00 H new ATOM 0 HA LYS A 92 7.002 -9.566 6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.405 -7.386 5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.537 -8.979 4.724 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.428 -8.825 3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 92 4.822 -7.632 4.780 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.247 -6.767 3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 92 5.834 -7.035 2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 92 5.048 -5.001 2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 92 4.839 -5.663 4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 6.351 -4.113 5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.499 -5.200 4.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.927 -3.927 3.526 1.00 0.00 H new ATOM 1492 N MET A 93 5.654 -6.606 6.984 1.00 0.00 N ATOM 1493 CA MET A 93 5.297 -5.489 7.903 1.00 0.00 C ATOM 1494 C MET A 93 3.863 -5.041 7.627 1.00 0.00 C ATOM 1495 O MET A 93 3.036 -5.812 7.180 1.00 0.00 O ATOM 1496 CB MET A 93 6.251 -4.315 7.673 1.00 0.00 C ATOM 1497 CG MET A 93 7.644 -4.846 7.332 1.00 0.00 C ATOM 1498 SD MET A 93 8.381 -5.600 8.802 1.00 0.00 S ATOM 1499 CE MET A 93 9.595 -6.631 7.941 1.00 0.00 C ATOM 0 H MET A 93 5.687 -6.359 5.995 1.00 0.00 H new ATOM 0 HA MET A 93 5.379 -5.828 8.936 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.882 -3.687 6.863 1.00 0.00 H new ATOM 0 HB3 MET A 93 6.297 -3.690 8.565 1.00 0.00 H new ATOM 0 HG2 MET A 93 7.578 -5.580 6.529 1.00 0.00 H new ATOM 0 HG3 MET A 93 8.276 -4.034 6.971 1.00 0.00 H new ATOM 0 HE1 MET A 93 10.175 -7.197 8.671 1.00 0.00 H new ATOM 0 HE2 MET A 93 9.078 -7.321 7.274 1.00 0.00 H new ATOM 0 HE3 MET A 93 10.264 -5.997 7.359 1.00 0.00 H new ATOM 1509 N LYS A 94 3.560 -3.801 7.889 1.00 0.00 N ATOM 1510 CA LYS A 94 2.178 -3.307 7.640 1.00 0.00 C ATOM 1511 C LYS A 94 2.239 -2.081 6.731 1.00 0.00 C ATOM 1512 O LYS A 94 3.293 -1.687 6.274 1.00 0.00 O ATOM 1513 CB LYS A 94 1.524 -2.924 8.970 1.00 0.00 C ATOM 1514 CG LYS A 94 1.814 -4.003 10.014 1.00 0.00 C ATOM 1515 CD LYS A 94 1.729 -3.392 11.414 1.00 0.00 C ATOM 1516 CE LYS A 94 1.148 -4.421 12.387 1.00 0.00 C ATOM 1517 NZ LYS A 94 2.098 -5.560 12.530 1.00 0.00 N ATOM 0 H LYS A 94 4.209 -3.109 8.264 1.00 0.00 H new ATOM 0 HA LYS A 94 1.590 -4.090 7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.906 -1.962 9.311 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.448 -2.811 8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.098 -4.819 9.918 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.805 -4.427 9.850 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.719 -3.080 11.747 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.103 -2.500 11.395 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.969 -3.959 13.358 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.186 -4.780 12.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.799 -6.164 13.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.105 -6.118 11.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.054 -5.194 12.716 1.00 0.00 H new ATOM 1531 N LEU A 95 1.117 -1.472 6.466 1.00 0.00 N ATOM 1532 CA LEU A 95 1.117 -0.269 5.588 1.00 0.00 C ATOM 1533 C LEU A 95 0.833 0.971 6.437 1.00 0.00 C ATOM 1534 O LEU A 95 -0.008 1.784 6.108 1.00 0.00 O ATOM 1535 CB LEU A 95 0.040 -0.407 4.503 1.00 0.00 C ATOM 1536 CG LEU A 95 -1.027 -1.412 4.944 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -1.815 -0.836 6.122 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -1.980 -1.686 3.779 1.00 0.00 C ATOM 0 H LEU A 95 0.202 -1.754 6.818 1.00 0.00 H new ATOM 0 HA LEU A 95 2.091 -0.174 5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.420 0.562 4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.495 -0.735 3.568 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.547 -2.342 5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.575 -1.552 6.436 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.137 -0.639 6.952 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.296 0.094 5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.740 -2.402 4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.460 -0.756 3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.419 -2.096 2.939 1.00 0.00 H new ATOM 1550 N ARG A 96 1.529 1.121 7.530 1.00 0.00 N ATOM 1551 CA ARG A 96 1.299 2.306 8.402 1.00 0.00 C ATOM 1552 C ARG A 96 2.641 2.922 8.806 1.00 0.00 C ATOM 1553 O ARG A 96 2.692 3.883 9.547 1.00 0.00 O ATOM 1554 CB ARG A 96 0.540 1.875 9.658 1.00 0.00 C ATOM 1555 CG ARG A 96 1.410 0.925 10.483 1.00 0.00 C ATOM 1556 CD ARG A 96 2.307 1.739 11.422 1.00 0.00 C ATOM 1557 NE ARG A 96 2.414 1.058 12.747 1.00 0.00 N ATOM 1558 CZ ARG A 96 1.376 0.463 13.270 1.00 0.00 C ATOM 1559 NH1 ARG A 96 0.202 1.032 13.216 1.00 0.00 N ATOM 1560 NH2 ARG A 96 1.511 -0.700 13.846 1.00 0.00 N ATOM 0 H ARG A 96 2.247 0.474 7.857 1.00 0.00 H new ATOM 0 HA ARG A 96 0.714 3.045 7.855 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.274 2.749 10.252 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -0.392 1.382 9.381 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.781 0.248 11.060 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.021 0.309 9.823 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.298 1.854 10.982 1.00 0.00 H new ATOM 0 HD3 ARG A 96 1.897 2.741 11.551 1.00 0.00 H new ATOM 0 HE ARG A 96 3.303 1.058 13.246 1.00 0.00 H new ATOM 0 HH11 ARG A 96 0.096 1.941 12.765 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -0.609 0.568 13.624 1.00 0.00 H new ATOM 0 HH21 ARG A 96 2.428 -1.145 13.888 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.700 -1.164 14.254 1.00 0.00 H new ATOM 1574 N TYR A 97 3.731 2.378 8.333 1.00 0.00 N ATOM 1575 CA TYR A 97 5.060 2.943 8.704 1.00 0.00 C ATOM 1576 C TYR A 97 5.385 4.142 7.806 1.00 0.00 C ATOM 1577 O TYR A 97 5.527 3.997 6.609 1.00 0.00 O ATOM 1578 CB TYR A 97 6.137 1.871 8.526 1.00 0.00 C ATOM 1579 CG TYR A 97 6.686 1.481 9.878 1.00 0.00 C ATOM 1580 CD1 TYR A 97 5.853 0.871 10.823 1.00 0.00 C ATOM 1581 CD2 TYR A 97 8.030 1.731 10.187 1.00 0.00 C ATOM 1582 CE1 TYR A 97 6.363 0.509 12.076 1.00 0.00 C ATOM 1583 CE2 TYR A 97 8.539 1.370 11.440 1.00 0.00 C ATOM 1584 CZ TYR A 97 7.706 0.760 12.384 1.00 0.00 C ATOM 1585 OH TYR A 97 8.208 0.403 13.620 1.00 0.00 O ATOM 0 H TYR A 97 3.758 1.571 7.709 1.00 0.00 H new ATOM 0 HA TYR A 97 5.033 3.268 9.744 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.717 0.998 8.026 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.939 2.247 7.891 1.00 0.00 H new ATOM 0 HD1 TYR A 97 4.817 0.679 10.586 1.00 0.00 H new ATOM 0 HD2 TYR A 97 8.673 2.202 9.458 1.00 0.00 H new ATOM 0 HE1 TYR A 97 5.721 0.036 12.805 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.575 1.562 11.678 1.00 0.00 H new ATOM 0 HH TYR A 97 9.156 0.646 13.671 1.00 0.00 H new ATOM 1595 N PRO A 98 5.501 5.297 8.415 1.00 0.00 N ATOM 1596 CA PRO A 98 5.818 6.580 7.735 1.00 0.00 C ATOM 1597 C PRO A 98 7.324 6.673 7.475 1.00 0.00 C ATOM 1598 O PRO A 98 8.028 5.683 7.494 1.00 0.00 O ATOM 1599 CB PRO A 98 5.374 7.677 8.701 1.00 0.00 C ATOM 1600 CG PRO A 98 5.367 7.040 10.094 1.00 0.00 C ATOM 1601 CD PRO A 98 5.331 5.520 9.880 1.00 0.00 C ATOM 0 HA PRO A 98 5.316 6.668 6.772 1.00 0.00 H new ATOM 0 HB2 PRO A 98 6.055 8.527 8.665 1.00 0.00 H new ATOM 0 HB3 PRO A 98 4.384 8.050 8.438 1.00 0.00 H new ATOM 0 HG2 PRO A 98 6.253 7.331 10.658 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.501 7.371 10.667 1.00 0.00 H new ATOM 0 HD2 PRO A 98 6.126 5.030 10.442 1.00 0.00 H new ATOM 0 HD3 PRO A 98 4.388 5.101 10.230 1.00 0.00 H new ATOM 1609 N ILE A 99 7.826 7.854 7.234 1.00 0.00 N ATOM 1610 CA ILE A 99 9.285 8.003 6.975 1.00 0.00 C ATOM 1611 C ILE A 99 10.019 8.231 8.299 1.00 0.00 C ATOM 1612 O ILE A 99 10.770 9.174 8.450 1.00 0.00 O ATOM 1613 CB ILE A 99 9.519 9.200 6.052 1.00 0.00 C ATOM 1614 CG1 ILE A 99 10.993 9.249 5.645 1.00 0.00 C ATOM 1615 CG2 ILE A 99 9.150 10.492 6.784 1.00 0.00 C ATOM 1616 CD1 ILE A 99 11.128 8.870 4.169 1.00 0.00 C ATOM 0 H ILE A 99 7.289 8.721 7.205 1.00 0.00 H new ATOM 0 HA ILE A 99 9.663 7.097 6.501 1.00 0.00 H new ATOM 0 HB ILE A 99 8.898 9.098 5.162 1.00 0.00 H new ATOM 0 HG12 ILE A 99 11.395 10.248 5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.575 8.564 6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.317 11.344 6.125 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.100 10.458 7.074 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.770 10.595 7.675 1.00 0.00 H new ATOM 0 HD11 ILE A 99 12.178 8.905 3.879 1.00 0.00 H new ATOM 0 HD12 ILE A 99 10.742 7.862 4.015 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.560 9.573 3.559 1.00 0.00 H new ATOM 1628 N ASN A 100 9.810 7.373 9.261 1.00 0.00 N ATOM 1629 CA ASN A 100 10.497 7.542 10.573 1.00 0.00 C ATOM 1630 C ASN A 100 11.509 6.411 10.770 1.00 0.00 C ATOM 1631 O ASN A 100 11.419 5.369 10.152 1.00 0.00 O ATOM 1632 CB ASN A 100 9.461 7.502 11.699 1.00 0.00 C ATOM 1633 CG ASN A 100 9.806 8.564 12.745 1.00 0.00 C ATOM 1634 OD1 ASN A 100 10.961 8.879 12.952 1.00 0.00 O ATOM 1635 ND2 ASN A 100 8.844 9.133 13.420 1.00 0.00 N ATOM 0 H ASN A 100 9.194 6.563 9.195 1.00 0.00 H new ATOM 0 HA ASN A 100 11.017 8.500 10.590 1.00 0.00 H new ATOM 0 HB2 ASN A 100 8.464 7.682 11.297 1.00 0.00 H new ATOM 0 HB3 ASN A 100 9.446 6.514 12.159 1.00 0.00 H new ATOM 0 HD21 ASN A 100 9.062 9.841 14.121 1.00 0.00 H new ATOM 0 HD22 ASN A 100 7.874 8.869 13.247 1.00 0.00 H new ATOM 1642 N GLU A 101 12.473 6.609 11.627 1.00 0.00 N ATOM 1643 CA GLU A 101 13.491 5.546 11.864 1.00 0.00 C ATOM 1644 C GLU A 101 14.466 6.010 12.948 1.00 0.00 C ATOM 1645 O GLU A 101 14.169 6.893 13.727 1.00 0.00 O ATOM 1646 CB GLU A 101 14.258 5.277 10.568 1.00 0.00 C ATOM 1647 CG GLU A 101 15.014 6.539 10.149 1.00 0.00 C ATOM 1648 CD GLU A 101 14.489 7.025 8.798 1.00 0.00 C ATOM 1649 OE1 GLU A 101 14.907 6.479 7.790 1.00 0.00 O ATOM 1650 OE2 GLU A 101 13.679 7.937 8.792 1.00 0.00 O ATOM 0 H GLU A 101 12.600 7.461 12.173 1.00 0.00 H new ATOM 0 HA GLU A 101 12.995 4.631 12.188 1.00 0.00 H new ATOM 0 HB2 GLU A 101 14.957 4.453 10.711 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.567 4.976 9.780 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.888 7.318 10.901 1.00 0.00 H new ATOM 0 HG3 GLU A 101 16.082 6.330 10.082 1.00 0.00 H new ATOM 1657 N GLU A 102 15.630 5.422 13.005 1.00 0.00 N ATOM 1658 CA GLU A 102 16.621 5.831 14.040 1.00 0.00 C ATOM 1659 C GLU A 102 17.139 7.235 13.723 1.00 0.00 C ATOM 1660 O GLU A 102 17.680 7.913 14.573 1.00 0.00 O ATOM 1661 CB GLU A 102 17.791 4.845 14.046 1.00 0.00 C ATOM 1662 CG GLU A 102 18.225 4.576 15.489 1.00 0.00 C ATOM 1663 CD GLU A 102 18.783 3.155 15.598 1.00 0.00 C ATOM 1664 OE1 GLU A 102 18.319 2.299 14.862 1.00 0.00 O ATOM 1665 OE2 GLU A 102 19.666 2.949 16.414 1.00 0.00 O ATOM 0 H GLU A 102 15.937 4.677 12.380 1.00 0.00 H new ATOM 0 HA GLU A 102 16.143 5.832 15.020 1.00 0.00 H new ATOM 0 HB2 GLU A 102 17.497 3.913 13.564 1.00 0.00 H new ATOM 0 HB3 GLU A 102 18.625 5.251 13.474 1.00 0.00 H new ATOM 0 HG2 GLU A 102 18.981 5.299 15.793 1.00 0.00 H new ATOM 0 HG3 GLU A 102 17.378 4.698 16.164 1.00 0.00 H new ATOM 1672 N ASN A 103 16.975 7.677 12.507 1.00 0.00 N ATOM 1673 CA ASN A 103 17.459 9.038 12.137 1.00 0.00 C ATOM 1674 C ASN A 103 16.453 9.698 11.192 1.00 0.00 C ATOM 1675 O ASN A 103 16.605 9.665 9.987 1.00 0.00 O ATOM 1676 CB ASN A 103 18.816 8.925 11.440 1.00 0.00 C ATOM 1677 CG ASN A 103 19.934 9.166 12.456 1.00 0.00 C ATOM 1678 OD1 ASN A 103 19.702 9.141 13.649 1.00 0.00 O ATOM 1679 ND2 ASN A 103 21.145 9.400 12.033 1.00 0.00 N ATOM 0 H ASN A 103 16.527 7.156 11.753 1.00 0.00 H new ATOM 0 HA ASN A 103 17.563 9.644 13.037 1.00 0.00 H new ATOM 0 HB2 ASN A 103 18.925 7.938 10.991 1.00 0.00 H new ATOM 0 HB3 ASN A 103 18.883 9.652 10.631 1.00 0.00 H new ATOM 0 HD21 ASN A 103 21.897 9.562 12.703 1.00 0.00 H new ATOM 0 HD22 ASN A 103 21.340 9.421 11.032 1.00 0.00 H new ATOM 1686 N SER A 104 15.427 10.299 11.729 1.00 0.00 N ATOM 1687 CA SER A 104 14.412 10.961 10.862 1.00 0.00 C ATOM 1688 C SER A 104 14.764 12.442 10.707 1.00 0.00 C ATOM 1689 O SER A 104 14.896 13.163 11.676 1.00 0.00 O ATOM 1690 CB SER A 104 13.029 10.830 11.503 1.00 0.00 C ATOM 1691 OG SER A 104 13.174 10.744 12.914 1.00 0.00 O ATOM 0 H SER A 104 15.248 10.360 12.731 1.00 0.00 H new ATOM 0 HA SER A 104 14.404 10.484 9.882 1.00 0.00 H new ATOM 0 HB2 SER A 104 12.411 11.688 11.241 1.00 0.00 H new ATOM 0 HB3 SER A 104 12.521 9.943 11.123 1.00 0.00 H new ATOM 0 HG SER A 104 12.502 10.128 13.275 1.00 0.00 H new ATOM 1697 N SER A 105 14.919 12.900 9.496 1.00 0.00 N ATOM 1698 CA SER A 105 15.263 14.335 9.281 1.00 0.00 C ATOM 1699 C SER A 105 14.625 14.822 7.979 1.00 0.00 C ATOM 1700 O SER A 105 15.213 14.600 6.933 1.00 0.00 O ATOM 1701 CB SER A 105 16.781 14.487 9.193 1.00 0.00 C ATOM 1702 OG SER A 105 17.234 15.308 10.263 1.00 0.00 O ATOM 1703 OXT SER A 105 13.558 15.411 8.049 1.00 0.00 O ATOM 0 H SER A 105 14.823 12.344 8.646 1.00 0.00 H new ATOM 0 HA SER A 105 14.886 14.928 10.114 1.00 0.00 H new ATOM 0 HB2 SER A 105 17.259 13.509 9.242 1.00 0.00 H new ATOM 0 HB3 SER A 105 17.059 14.930 8.237 1.00 0.00 H new ATOM 0 HG SER A 105 18.208 15.406 10.210 1.00 0.00 H new TER 1709 SER A 105 ATOM 1710 N ASP B 1 15.546 -6.767 -7.104 1.00 0.00 N ATOM 1711 CA ASP B 1 14.396 -6.392 -7.974 1.00 0.00 C ATOM 1712 C ASP B 1 13.237 -7.362 -7.733 1.00 0.00 C ATOM 1713 O ASP B 1 13.346 -8.547 -7.975 1.00 0.00 O ATOM 1714 CB ASP B 1 14.821 -6.462 -9.443 1.00 0.00 C ATOM 1715 CG ASP B 1 13.675 -5.976 -10.330 1.00 0.00 C ATOM 1716 OD1 ASP B 1 12.789 -5.317 -9.812 1.00 0.00 O ATOM 1717 OD2 ASP B 1 13.702 -6.271 -11.514 1.00 0.00 O ATOM 0 H1 ASP B 1 16.334 -6.108 -7.267 1.00 0.00 H new ATOM 0 H2 ASP B 1 15.256 -6.720 -6.106 1.00 0.00 H new ATOM 0 H3 ASP B 1 15.851 -7.735 -7.330 1.00 0.00 H new ATOM 0 HA ASP B 1 14.078 -5.377 -7.736 1.00 0.00 H new ATOM 0 HB2 ASP B 1 15.707 -5.848 -9.606 1.00 0.00 H new ATOM 0 HB3 ASP B 1 15.090 -7.485 -9.706 1.00 0.00 H new ATOM 1724 N ASN B 2 12.126 -6.866 -7.259 1.00 0.00 N ATOM 1725 CA ASN B 2 10.962 -7.760 -7.003 1.00 0.00 C ATOM 1726 C ASN B 2 9.767 -7.291 -7.839 1.00 0.00 C ATOM 1727 O ASN B 2 9.881 -6.399 -8.655 1.00 0.00 O ATOM 1728 CB ASN B 2 10.595 -7.709 -5.518 1.00 0.00 C ATOM 1729 CG ASN B 2 11.762 -8.243 -4.685 1.00 0.00 C ATOM 1730 OD1 ASN B 2 11.779 -9.400 -4.312 1.00 0.00 O ATOM 1731 ND2 ASN B 2 12.746 -7.444 -4.376 1.00 0.00 N ATOM 0 H ASN B 2 11.975 -5.882 -7.038 1.00 0.00 H new ATOM 0 HA ASN B 2 11.222 -8.782 -7.278 1.00 0.00 H new ATOM 0 HB2 ASN B 2 10.364 -6.685 -5.225 1.00 0.00 H new ATOM 0 HB3 ASN B 2 9.700 -8.303 -5.333 1.00 0.00 H new ATOM 0 HD21 ASN B 2 13.529 -7.790 -3.822 1.00 0.00 H new ATOM 0 HD22 ASN B 2 12.732 -6.473 -4.689 1.00 0.00 H new ATOM 1738 N ASP B 3 8.623 -7.888 -7.643 1.00 0.00 N ATOM 1739 CA ASP B 3 7.425 -7.477 -8.427 1.00 0.00 C ATOM 1740 C ASP B 3 6.239 -7.282 -7.484 1.00 0.00 C ATOM 1741 O ASP B 3 6.396 -7.185 -6.282 1.00 0.00 O ATOM 1742 CB ASP B 3 7.089 -8.559 -9.454 1.00 0.00 C ATOM 1743 CG ASP B 3 6.588 -9.812 -8.733 1.00 0.00 C ATOM 1744 OD1 ASP B 3 6.982 -10.015 -7.597 1.00 0.00 O ATOM 1745 OD2 ASP B 3 5.819 -10.547 -9.331 1.00 0.00 O ATOM 0 H ASP B 3 8.467 -8.642 -6.974 1.00 0.00 H new ATOM 0 HA ASP B 3 7.635 -6.540 -8.944 1.00 0.00 H new ATOM 0 HB2 ASP B 3 6.328 -8.196 -10.145 1.00 0.00 H new ATOM 0 HB3 ASP B 3 7.971 -8.797 -10.048 1.00 0.00 H new HETATM 1750 N PTR B 4 5.054 -7.212 -8.020 1.00 0.00 N HETATM 1751 CA PTR B 4 3.857 -7.009 -7.155 1.00 0.00 C HETATM 1752 C PTR B 4 3.779 -8.116 -6.098 1.00 0.00 C HETATM 1753 O PTR B 4 4.631 -8.979 -6.028 1.00 0.00 O HETATM 1754 CB PTR B 4 2.592 -7.014 -8.014 1.00 0.00 C HETATM 1755 CG PTR B 4 2.064 -5.603 -8.106 1.00 0.00 C HETATM 1756 CD1 PTR B 4 2.685 -4.681 -8.956 1.00 0.00 C HETATM 1757 CD2 PTR B 4 0.963 -5.214 -7.336 1.00 0.00 C HETATM 1758 CE1 PTR B 4 2.202 -3.369 -9.037 1.00 0.00 C HETATM 1759 CE2 PTR B 4 0.481 -3.901 -7.417 1.00 0.00 C HETATM 1760 CZ PTR B 4 1.101 -2.980 -8.267 1.00 0.00 C HETATM 1761 OH PTR B 4 0.608 -1.630 -8.349 1.00 0.00 O HETATM 1762 P PTR B 4 1.060 -0.655 -9.574 1.00 0.00 P HETATM 1763 O1P PTR B 4 0.795 -1.441 -10.848 1.00 0.00 O HETATM 1764 O2P PTR B 4 0.195 0.589 -9.455 1.00 0.00 O HETATM 1765 O3P PTR B 4 2.538 -0.371 -9.353 1.00 0.00 O HETATM 0 HE2 PTR B 4 -0.377 -3.597 -6.817 1.00 0.00 H new HETATM 0 HE1 PTR B 4 2.684 -2.651 -9.700 1.00 0.00 H new HETATM 0 HD2 PTR B 4 0.480 -5.932 -6.673 1.00 0.00 H new HETATM 0 HD1 PTR B 4 3.544 -4.984 -9.555 1.00 0.00 H new HETATM 0 HB3 PTR B 4 2.812 -7.401 -9.009 1.00 0.00 H new HETATM 0 HB2 PTR B 4 1.840 -7.671 -7.576 1.00 0.00 H new HETATM 0 HA PTR B 4 3.941 -6.047 -6.650 1.00 0.00 H new ATOM 1774 N ILE B 5 2.774 -8.086 -5.259 1.00 0.00 N ATOM 1775 CA ILE B 5 2.660 -9.119 -4.198 1.00 0.00 C ATOM 1776 C ILE B 5 1.213 -9.212 -3.706 1.00 0.00 C ATOM 1777 O ILE B 5 0.597 -8.217 -3.378 1.00 0.00 O ATOM 1778 CB ILE B 5 3.539 -8.704 -3.025 1.00 0.00 C ATOM 1779 CG1 ILE B 5 3.321 -7.217 -2.739 1.00 0.00 C ATOM 1780 CG2 ILE B 5 5.007 -8.949 -3.366 1.00 0.00 C ATOM 1781 CD1 ILE B 5 3.208 -6.991 -1.232 1.00 0.00 C ATOM 0 H ILE B 5 2.030 -7.388 -5.267 1.00 0.00 H new ATOM 0 HA ILE B 5 2.970 -10.084 -4.599 1.00 0.00 H new ATOM 0 HB ILE B 5 3.275 -9.292 -2.146 1.00 0.00 H new ATOM 0 HG12 ILE B 5 4.149 -6.634 -3.142 1.00 0.00 H new ATOM 0 HG13 ILE B 5 2.415 -6.870 -3.237 1.00 0.00 H new ATOM 0 HG21 ILE B 5 5.631 -8.650 -2.524 1.00 0.00 H new ATOM 0 HG22 ILE B 5 5.160 -10.008 -3.574 1.00 0.00 H new ATOM 0 HG23 ILE B 5 5.279 -8.364 -4.244 1.00 0.00 H new ATOM 0 HD11 ILE B 5 3.053 -5.930 -1.034 1.00 0.00 H new ATOM 0 HD12 ILE B 5 2.365 -7.560 -0.841 1.00 0.00 H new ATOM 0 HD13 ILE B 5 4.126 -7.321 -0.745 1.00 0.00 H new ATOM 1793 N ILE B 6 0.675 -10.397 -3.617 1.00 0.00 N ATOM 1794 CA ILE B 6 -0.718 -10.535 -3.107 1.00 0.00 C ATOM 1795 C ILE B 6 -0.695 -10.223 -1.610 1.00 0.00 C ATOM 1796 O ILE B 6 0.240 -10.580 -0.925 1.00 0.00 O ATOM 1797 CB ILE B 6 -1.214 -11.965 -3.328 1.00 0.00 C ATOM 1798 CG1 ILE B 6 -1.150 -12.304 -4.819 1.00 0.00 C ATOM 1799 CG2 ILE B 6 -2.661 -12.084 -2.843 1.00 0.00 C ATOM 1800 CD1 ILE B 6 -1.848 -13.643 -5.068 1.00 0.00 C ATOM 0 H ILE B 6 1.136 -11.270 -3.873 1.00 0.00 H new ATOM 0 HA ILE B 6 -1.387 -9.853 -3.633 1.00 0.00 H new ATOM 0 HB ILE B 6 -0.583 -12.657 -2.770 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -1.629 -11.518 -5.403 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -0.112 -12.356 -5.147 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -3.015 -13.103 -3.000 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -2.710 -11.843 -1.781 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -3.290 -11.391 -3.402 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.803 -13.885 -6.130 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -1.349 -14.425 -4.496 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -2.890 -13.574 -4.756 1.00 0.00 H new ATOM 1812 N PRO B 7 -1.712 -9.552 -1.147 1.00 0.00 N ATOM 1813 CA PRO B 7 -1.861 -9.137 0.270 1.00 0.00 C ATOM 1814 C PRO B 7 -2.293 -10.318 1.142 1.00 0.00 C ATOM 1815 O PRO B 7 -3.429 -10.748 1.112 1.00 0.00 O ATOM 1816 CB PRO B 7 -2.925 -8.044 0.270 1.00 0.00 C ATOM 1817 CG PRO B 7 -3.752 -8.256 -1.003 1.00 0.00 C ATOM 1818 CD PRO B 7 -2.885 -9.101 -1.949 1.00 0.00 C ATOM 0 HA PRO B 7 -0.918 -8.778 0.683 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -3.553 -8.111 1.158 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -2.467 -7.055 0.277 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -4.689 -8.765 -0.777 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -4.010 -7.301 -1.462 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -3.445 -9.954 -2.333 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -2.565 -8.516 -2.811 1.00 0.00 H new ATOM 1826 N LEU B 8 -1.387 -10.837 1.923 1.00 0.00 N ATOM 1827 CA LEU B 8 -1.721 -11.983 2.813 1.00 0.00 C ATOM 1828 C LEU B 8 -0.970 -11.808 4.139 1.00 0.00 C ATOM 1829 O LEU B 8 0.242 -11.898 4.175 1.00 0.00 O ATOM 1830 CB LEU B 8 -1.287 -13.291 2.148 1.00 0.00 C ATOM 1831 CG LEU B 8 -2.094 -14.454 2.729 1.00 0.00 C ATOM 1832 CD1 LEU B 8 -3.586 -14.208 2.498 1.00 0.00 C ATOM 1833 CD2 LEU B 8 -1.682 -15.756 2.038 1.00 0.00 C ATOM 0 H LEU B 8 -0.422 -10.513 1.983 1.00 0.00 H new ATOM 0 HA LEU B 8 -2.795 -12.014 2.994 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -1.440 -13.231 1.070 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -0.222 -13.457 2.310 1.00 0.00 H new ATOM 0 HG LEU B 8 -1.899 -14.530 3.799 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -4.160 -15.037 2.912 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -3.882 -13.281 2.989 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -3.781 -14.131 1.428 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -2.257 -16.585 2.451 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -1.876 -15.678 0.968 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -0.619 -15.934 2.201 1.00 0.00 H new ATOM 1845 N PRO B 9 -1.709 -11.552 5.186 1.00 0.00 N ATOM 1846 CA PRO B 9 -1.179 -11.334 6.558 1.00 0.00 C ATOM 1847 C PRO B 9 -0.790 -12.664 7.205 1.00 0.00 C ATOM 1848 O PRO B 9 -1.494 -13.191 8.043 1.00 0.00 O ATOM 1849 CB PRO B 9 -2.310 -10.666 7.336 1.00 0.00 C ATOM 1850 CG PRO B 9 -3.604 -11.029 6.603 1.00 0.00 C ATOM 1851 CD PRO B 9 -3.197 -11.441 5.182 1.00 0.00 C ATOM 0 HA PRO B 9 -0.280 -10.717 6.547 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -2.335 -11.019 8.367 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -2.173 -9.585 7.372 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -4.122 -11.843 7.110 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -4.288 -10.181 6.580 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -3.657 -12.390 4.906 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -3.529 -10.702 4.453 1.00 0.00 H new ATOM 1859 N ASP B 10 0.336 -13.202 6.825 1.00 0.00 N ATOM 1860 CA ASP B 10 0.794 -14.492 7.416 1.00 0.00 C ATOM 1861 C ASP B 10 -0.211 -15.603 7.089 1.00 0.00 C ATOM 1862 O ASP B 10 -1.270 -15.672 7.679 1.00 0.00 O ATOM 1863 CB ASP B 10 0.907 -14.341 8.935 1.00 0.00 C ATOM 1864 CG ASP B 10 2.213 -14.973 9.416 1.00 0.00 C ATOM 1865 OD1 ASP B 10 3.132 -15.069 8.617 1.00 0.00 O ATOM 1866 OD2 ASP B 10 2.275 -15.350 10.574 1.00 0.00 O ATOM 0 H ASP B 10 0.962 -12.802 6.127 1.00 0.00 H new ATOM 0 HA ASP B 10 1.766 -14.754 6.997 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.879 -13.286 9.209 1.00 0.00 H new ATOM 0 HB3 ASP B 10 0.058 -14.820 9.423 1.00 0.00 H new ATOM 1871 N PRO B 11 0.156 -16.444 6.157 1.00 0.00 N ATOM 1872 CA PRO B 11 -0.660 -17.595 5.688 1.00 0.00 C ATOM 1873 C PRO B 11 -0.552 -18.758 6.678 1.00 0.00 C ATOM 1874 O PRO B 11 0.094 -19.753 6.413 1.00 0.00 O ATOM 1875 CB PRO B 11 -0.071 -17.991 4.337 1.00 0.00 C ATOM 1876 CG PRO B 11 1.371 -17.477 4.335 1.00 0.00 C ATOM 1877 CD PRO B 11 1.446 -16.388 5.415 1.00 0.00 C ATOM 0 HA PRO B 11 -1.716 -17.338 5.607 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -0.099 -19.072 4.201 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -0.642 -17.552 3.519 1.00 0.00 H new ATOM 0 HG2 PRO B 11 2.071 -18.285 4.549 1.00 0.00 H new ATOM 0 HG3 PRO B 11 1.638 -17.074 3.358 1.00 0.00 H new ATOM 0 HD2 PRO B 11 2.288 -16.563 6.085 1.00 0.00 H new ATOM 0 HD3 PRO B 11 1.594 -15.406 4.967 1.00 0.00 H new ATOM 1885 N LYS B 12 -1.179 -18.643 7.817 1.00 0.00 N ATOM 1886 CA LYS B 12 -1.110 -19.743 8.819 1.00 0.00 C ATOM 1887 C LYS B 12 -2.004 -19.403 10.012 1.00 0.00 C ATOM 1888 O LYS B 12 -3.131 -18.992 9.785 1.00 0.00 O ATOM 1889 CB LYS B 12 0.335 -19.911 9.296 1.00 0.00 C ATOM 1890 CG LYS B 12 0.685 -21.399 9.353 1.00 0.00 C ATOM 1891 CD LYS B 12 1.976 -21.652 8.571 1.00 0.00 C ATOM 1892 CE LYS B 12 3.100 -22.015 9.544 1.00 0.00 C ATOM 1893 NZ LYS B 12 4.154 -22.782 8.822 1.00 0.00 N ATOM 1894 OXT LYS B 12 -1.549 -19.559 11.133 1.00 0.00 O ATOM 0 H LYS B 12 -1.736 -17.835 8.096 1.00 0.00 H new ATOM 0 HA LYS B 12 -1.451 -20.672 8.362 1.00 0.00 H new ATOM 0 HB2 LYS B 12 1.015 -19.393 8.620 1.00 0.00 H new ATOM 0 HB3 LYS B 12 0.459 -19.460 10.280 1.00 0.00 H new ATOM 0 HG2 LYS B 12 0.807 -21.715 10.389 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -0.128 -21.991 8.933 1.00 0.00 H new ATOM 0 HD2 LYS B 12 1.827 -22.459 7.854 1.00 0.00 H new ATOM 0 HD3 LYS B 12 2.248 -20.764 8.000 1.00 0.00 H new ATOM 0 HE2 LYS B 12 3.526 -21.110 9.978 1.00 0.00 H new ATOM 0 HE3 LYS B 12 2.704 -22.608 10.369 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 4.918 -23.029 9.483 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 3.742 -23.652 8.428 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 4.539 -22.201 8.050 1.00 0.00 H new TER 1908 LYS B 12