USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 924 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 HIS : no HD1:sc=-0.00848 X(o=-0.056,f=-0.0036) USER MOD Set 1.2: A 82 LYS NZ :NH3+ 170:sc= -0.048 (180deg=-0.122) USER MOD Set 2.1: A 61 SER OG : rot 170:sc= -0.0929 USER MOD Set 2.2: A 64 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 58 MET CE :methyl 168:sc= -1.28 (180deg=-0.764) USER MOD Set 3.2: A 68 LYS NZ :NH3+ -144:sc= -0.605 (180deg=-0.207) USER MOD Set 4.1: A 20 GLN :FLIP amide:sc= -0.661 F(o=-4.7!,f=-1.1) USER MOD Set 4.2: A 52 ASN :FLIP amide:sc= -0.412 F(o=-4.9,f=-1.1) USER MOD Set 5.1: A 8 THR OG1 : rot 140:sc= 0 USER MOD Set 5.2: A 11 MET CE :methyl 142:sc= -2.16! (180deg=-5.8!) USER MOD Single : A 1 GLY N :NH3+ 132:sc= 0.04 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -160:sc= -0.878 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 0.0409 (180deg=0.03) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 23 MET CE :methyl 139:sc= -6.68! (180deg=-8.29!) USER MOD Single : A 33 GLN : amide:sc= -0.0176 X(o=-0.018,f=-0.17) USER MOD Single : A 35 MET CE :methyl -172:sc= -3.44 (180deg=-3.63!) USER MOD Single : A 36 HIS : no HD1:sc= -1.72 X(o=-1.7,f=-2!) USER MOD Single : A 38 THR OG1 : rot 88:sc= 0.371 USER MOD Single : A 42 LYS NZ :NH3+ -141:sc= 0.237 (180deg=-0.156) USER MOD Single : A 44 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 46 MET CE :methyl -128:sc= -5.86! (180deg=-9.46!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.527 X(o=-0.53,f=-0.24) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc=-0.00509 K(o=-0.0051,f=-1.3) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.0577 F(o=-0.96,f=-0.058) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.205 X(o=-0.2,f=-0.24) USER MOD Single : A 91 SER OG : rot 180:sc= 0.117 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.00469 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : B 1 VAL N :NH3+ 167:sc= -0.056 (180deg=-0.242) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 SER OG : rot 100:sc= -1.11 USER MOD Single : B 5 ASN :FLIP amide:sc= -0.0541 F(o=-0.57,f=-0.054) USER MOD Single : B 7 ASN :FLIP amide:sc= -0.114 F(o=-2.8!,f=-0.11) USER MOD Single : B 9 ASN : amide:sc= -0.099 X(o=-0.099,f=0) USER MOD Single : B 11 LYS NZ :NH3+ 170:sc= 0.595 (180deg=0.537) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 TYR OH : rot -116:sc= 0.0664 USER MOD Single : B 21 ASN : amide:sc= 0.153 K(o=0.15,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.706 -26.253 -0.214 1.00 0.00 N ATOM 2 CA GLY A 1 -12.927 -25.393 -1.145 1.00 0.00 C ATOM 3 C GLY A 1 -11.764 -24.697 -0.460 1.00 0.00 C ATOM 4 O GLY A 1 -11.818 -24.442 0.744 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.721 -26.057 -0.328 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.520 -27.254 -0.428 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.422 -26.050 0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.549 -26.002 -1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.588 -24.644 -1.582 1.00 0.00 H new ATOM 10 N PRO A 2 -10.690 -24.373 -1.204 1.00 0.00 N ATOM 11 CA PRO A 2 -9.515 -23.702 -0.643 1.00 0.00 C ATOM 12 C PRO A 2 -9.753 -22.213 -0.418 1.00 0.00 C ATOM 13 O PRO A 2 -10.858 -21.712 -0.623 1.00 0.00 O ATOM 14 CB PRO A 2 -8.449 -23.917 -1.715 1.00 0.00 C ATOM 15 CG PRO A 2 -9.216 -23.995 -2.990 1.00 0.00 C ATOM 16 CD PRO A 2 -10.535 -24.639 -2.649 1.00 0.00 C ATOM 0 HA PRO A 2 -9.243 -24.097 0.336 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.732 -23.096 -1.732 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.883 -24.831 -1.535 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -9.366 -23.003 -3.415 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.677 -24.582 -3.733 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -11.353 -24.207 -3.226 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.525 -25.708 -2.861 1.00 0.00 H new ATOM 24 N LEU A 3 -8.706 -21.509 0.005 1.00 0.00 N ATOM 25 CA LEU A 3 -8.800 -20.077 0.257 1.00 0.00 C ATOM 26 C LEU A 3 -8.423 -19.280 -0.988 1.00 0.00 C ATOM 27 O LEU A 3 -7.293 -18.806 -1.117 1.00 0.00 O ATOM 28 CB LEU A 3 -7.892 -19.682 1.423 1.00 0.00 C ATOM 29 CG LEU A 3 -8.624 -19.271 2.702 1.00 0.00 C ATOM 30 CD1 LEU A 3 -9.087 -20.499 3.471 1.00 0.00 C ATOM 31 CD2 LEU A 3 -7.730 -18.400 3.571 1.00 0.00 C ATOM 0 H LEU A 3 -7.784 -21.908 0.180 1.00 0.00 H new ATOM 0 HA LEU A 3 -9.833 -19.846 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.235 -20.521 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.256 -18.856 1.105 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.503 -18.690 2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.605 -20.187 4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.764 -21.084 2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.223 -21.108 3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.267 -18.117 4.476 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.832 -18.956 3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.450 -17.502 3.020 1.00 0.00 H new ATOM 43 N GLY A 4 -9.375 -19.142 -1.906 1.00 0.00 N ATOM 44 CA GLY A 4 -9.124 -18.405 -3.130 1.00 0.00 C ATOM 45 C GLY A 4 -9.704 -17.005 -3.093 1.00 0.00 C ATOM 46 O GLY A 4 -10.877 -16.803 -3.407 1.00 0.00 O ATOM 0 H GLY A 4 -10.316 -19.528 -1.823 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.049 -18.345 -3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.551 -18.950 -3.972 1.00 0.00 H new ATOM 50 N SER A 5 -8.880 -16.036 -2.708 1.00 0.00 N ATOM 51 CA SER A 5 -9.315 -14.647 -2.633 1.00 0.00 C ATOM 52 C SER A 5 -8.964 -13.898 -3.916 1.00 0.00 C ATOM 53 O SER A 5 -7.839 -13.990 -4.409 1.00 0.00 O ATOM 54 CB SER A 5 -8.671 -13.954 -1.431 1.00 0.00 C ATOM 55 OG SER A 5 -9.204 -12.654 -1.246 1.00 0.00 O ATOM 0 H SER A 5 -7.907 -16.188 -2.443 1.00 0.00 H new ATOM 0 HA SER A 5 -10.398 -14.636 -2.512 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.836 -14.549 -0.533 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.593 -13.891 -1.578 1.00 0.00 H new ATOM 0 HG SER A 5 -8.777 -12.233 -0.471 1.00 0.00 H new ATOM 61 N PRO A 6 -9.924 -13.140 -4.478 1.00 0.00 N ATOM 62 CA PRO A 6 -9.704 -12.372 -5.708 1.00 0.00 C ATOM 63 C PRO A 6 -8.764 -11.190 -5.490 1.00 0.00 C ATOM 64 O PRO A 6 -7.940 -11.200 -4.575 1.00 0.00 O ATOM 65 CB PRO A 6 -11.106 -11.881 -6.078 1.00 0.00 C ATOM 66 CG PRO A 6 -11.844 -11.841 -4.785 1.00 0.00 C ATOM 67 CD PRO A 6 -11.294 -12.968 -3.957 1.00 0.00 C ATOM 0 HA PRO A 6 -9.231 -12.973 -6.485 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.071 -10.897 -6.545 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.587 -12.554 -6.788 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.701 -10.884 -4.284 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.916 -11.961 -4.944 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.292 -12.722 -2.895 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.885 -13.877 -4.073 1.00 0.00 H new ATOM 75 N LEU A 7 -8.894 -10.171 -6.336 1.00 0.00 N ATOM 76 CA LEU A 7 -8.061 -8.979 -6.230 1.00 0.00 C ATOM 77 C LEU A 7 -8.748 -7.916 -5.377 1.00 0.00 C ATOM 78 O LEU A 7 -9.819 -8.151 -4.821 1.00 0.00 O ATOM 79 CB LEU A 7 -7.750 -8.410 -7.619 1.00 0.00 C ATOM 80 CG LEU A 7 -8.255 -9.246 -8.798 1.00 0.00 C ATOM 81 CD1 LEU A 7 -9.420 -8.551 -9.485 1.00 0.00 C ATOM 82 CD2 LEU A 7 -7.129 -9.506 -9.788 1.00 0.00 C ATOM 0 H LEU A 7 -9.568 -10.148 -7.101 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.125 -9.265 -5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.184 -7.413 -7.690 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.670 -8.295 -7.713 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.605 -10.205 -8.415 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.766 -9.160 -10.320 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.234 -8.416 -8.773 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.096 -7.578 -9.855 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.506 -10.102 -10.620 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.749 -8.556 -10.165 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.324 -10.047 -9.290 1.00 0.00 H new ATOM 94 N THR A 8 -8.145 -6.733 -5.315 1.00 0.00 N ATOM 95 CA THR A 8 -8.695 -5.634 -4.535 1.00 0.00 C ATOM 96 C THR A 8 -9.675 -4.828 -5.377 1.00 0.00 C ATOM 97 O THR A 8 -10.651 -4.287 -4.859 1.00 0.00 O ATOM 98 CB THR A 8 -7.572 -4.733 -4.011 1.00 0.00 C ATOM 99 OG1 THR A 8 -8.024 -3.958 -2.914 1.00 0.00 O ATOM 100 CG2 THR A 8 -7.020 -3.780 -5.051 1.00 0.00 C ATOM 0 H THR A 8 -7.274 -6.512 -5.797 1.00 0.00 H new ATOM 0 HA THR A 8 -9.230 -6.049 -3.680 1.00 0.00 H new ATOM 0 HB THR A 8 -6.775 -5.415 -3.716 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.319 -3.911 -2.234 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.229 -3.175 -4.607 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.615 -4.349 -5.888 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.818 -3.129 -5.408 1.00 0.00 H new ATOM 108 N ALA A 9 -9.423 -4.771 -6.682 1.00 0.00 N ATOM 109 CA ALA A 9 -10.325 -4.086 -7.596 1.00 0.00 C ATOM 110 C ALA A 9 -11.705 -4.727 -7.520 1.00 0.00 C ATOM 111 O ALA A 9 -12.728 -4.045 -7.592 1.00 0.00 O ATOM 112 CB ALA A 9 -9.787 -4.128 -9.017 1.00 0.00 C ATOM 0 H ALA A 9 -8.606 -5.189 -7.126 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.402 -3.039 -7.303 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.477 -3.610 -9.683 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.813 -3.639 -9.052 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.684 -5.165 -9.337 1.00 0.00 H new ATOM 118 N SER A 10 -11.715 -6.043 -7.330 1.00 0.00 N ATOM 119 CA SER A 10 -12.957 -6.784 -7.175 1.00 0.00 C ATOM 120 C SER A 10 -13.582 -6.457 -5.828 1.00 0.00 C ATOM 121 O SER A 10 -14.802 -6.340 -5.711 1.00 0.00 O ATOM 122 CB SER A 10 -12.703 -8.289 -7.288 1.00 0.00 C ATOM 123 OG SER A 10 -13.859 -8.968 -7.742 1.00 0.00 O ATOM 0 H SER A 10 -10.873 -6.617 -7.280 1.00 0.00 H new ATOM 0 HA SER A 10 -13.643 -6.492 -7.970 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.877 -8.471 -7.976 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.403 -8.684 -6.318 1.00 0.00 H new ATOM 0 HG SER A 10 -13.670 -9.927 -7.807 1.00 0.00 H new ATOM 129 N MET A 11 -12.734 -6.269 -4.818 1.00 0.00 N ATOM 130 CA MET A 11 -13.214 -5.904 -3.492 1.00 0.00 C ATOM 131 C MET A 11 -13.877 -4.537 -3.540 1.00 0.00 C ATOM 132 O MET A 11 -14.851 -4.285 -2.837 1.00 0.00 O ATOM 133 CB MET A 11 -12.071 -5.884 -2.479 1.00 0.00 C ATOM 134 CG MET A 11 -11.214 -7.140 -2.496 1.00 0.00 C ATOM 135 SD MET A 11 -10.700 -7.657 -0.847 1.00 0.00 S ATOM 136 CE MET A 11 -9.410 -6.462 -0.503 1.00 0.00 C ATOM 0 H MET A 11 -11.721 -6.363 -4.894 1.00 0.00 H new ATOM 0 HA MET A 11 -13.940 -6.653 -3.177 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.437 -5.020 -2.678 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.486 -5.752 -1.480 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.772 -7.949 -2.968 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.330 -6.963 -3.108 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.454 -6.171 0.547 1.00 0.00 H new ATOM 0 HE2 MET A 11 -8.437 -6.905 -0.716 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.553 -5.582 -1.130 1.00 0.00 H new ATOM 146 N LEU A 12 -13.345 -3.663 -4.392 1.00 0.00 N ATOM 147 CA LEU A 12 -13.900 -2.328 -4.568 1.00 0.00 C ATOM 148 C LEU A 12 -15.388 -2.423 -4.869 1.00 0.00 C ATOM 149 O LEU A 12 -16.213 -1.802 -4.198 1.00 0.00 O ATOM 150 CB LEU A 12 -13.182 -1.608 -5.712 1.00 0.00 C ATOM 151 CG LEU A 12 -12.276 -0.443 -5.302 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.333 -0.851 -4.177 1.00 0.00 C ATOM 153 CD2 LEU A 12 -11.488 0.055 -6.503 1.00 0.00 C ATOM 0 H LEU A 12 -12.528 -3.859 -4.971 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.757 -1.761 -3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.581 -2.337 -6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.932 -1.233 -6.408 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.906 0.366 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.702 -0.005 -3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.915 -1.162 -3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.707 -1.679 -4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.847 0.883 -6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.873 -0.755 -6.896 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.178 0.394 -7.276 1.00 0.00 H new ATOM 165 N ALA A 13 -15.720 -3.227 -5.872 1.00 0.00 N ATOM 166 CA ALA A 13 -17.107 -3.448 -6.254 1.00 0.00 C ATOM 167 C ALA A 13 -17.867 -4.176 -5.149 1.00 0.00 C ATOM 168 O ALA A 13 -19.085 -4.047 -5.032 1.00 0.00 O ATOM 169 CB ALA A 13 -17.172 -4.237 -7.553 1.00 0.00 C ATOM 0 H ALA A 13 -15.043 -3.739 -6.437 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.581 -2.478 -6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.214 -4.397 -7.830 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.668 -3.680 -8.343 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.680 -5.201 -7.418 1.00 0.00 H new ATOM 175 N SER A 14 -17.138 -4.954 -4.350 1.00 0.00 N ATOM 176 CA SER A 14 -17.745 -5.726 -3.270 1.00 0.00 C ATOM 177 C SER A 14 -17.538 -5.058 -1.911 1.00 0.00 C ATOM 178 O SER A 14 -17.660 -5.704 -0.870 1.00 0.00 O ATOM 179 CB SER A 14 -17.168 -7.143 -3.246 1.00 0.00 C ATOM 180 OG SER A 14 -16.000 -7.207 -2.446 1.00 0.00 O ATOM 0 H SER A 14 -16.127 -5.065 -4.431 1.00 0.00 H new ATOM 0 HA SER A 14 -18.817 -5.772 -3.461 1.00 0.00 H new ATOM 0 HB2 SER A 14 -17.915 -7.836 -2.860 1.00 0.00 H new ATOM 0 HB3 SER A 14 -16.934 -7.460 -4.262 1.00 0.00 H new ATOM 0 HG SER A 14 -15.481 -8.002 -2.689 1.00 0.00 H new ATOM 186 N ALA A 15 -17.269 -3.755 -1.922 1.00 0.00 N ATOM 187 CA ALA A 15 -17.058 -3.011 -0.686 1.00 0.00 C ATOM 188 C ALA A 15 -17.835 -1.688 -0.695 1.00 0.00 C ATOM 189 O ALA A 15 -17.252 -0.620 -0.501 1.00 0.00 O ATOM 190 CB ALA A 15 -15.576 -2.746 -0.486 1.00 0.00 C ATOM 0 H ALA A 15 -17.192 -3.195 -2.771 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.430 -3.615 0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.428 -2.190 0.440 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.041 -3.694 -0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.194 -2.164 -1.325 1.00 0.00 H new ATOM 196 N PRO A 16 -19.168 -1.741 -0.902 1.00 0.00 N ATOM 197 CA PRO A 16 -20.010 -0.536 -0.967 1.00 0.00 C ATOM 198 C PRO A 16 -19.946 0.344 0.294 1.00 0.00 C ATOM 199 O PRO A 16 -19.780 1.558 0.183 1.00 0.00 O ATOM 200 CB PRO A 16 -21.425 -1.090 -1.169 1.00 0.00 C ATOM 201 CG PRO A 16 -21.222 -2.438 -1.768 1.00 0.00 C ATOM 202 CD PRO A 16 -19.949 -2.966 -1.168 1.00 0.00 C ATOM 0 HA PRO A 16 -19.673 0.127 -1.764 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -21.964 -1.154 -0.224 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -22.011 -0.449 -1.827 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -22.062 -3.096 -1.544 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -21.146 -2.376 -2.854 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -20.138 -3.529 -0.254 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.428 -3.635 -1.853 1.00 0.00 H new ATOM 210 N PRO A 17 -20.112 -0.229 1.511 1.00 0.00 N ATOM 211 CA PRO A 17 -20.097 0.561 2.751 1.00 0.00 C ATOM 212 C PRO A 17 -18.716 1.122 3.077 1.00 0.00 C ATOM 213 O PRO A 17 -17.887 1.311 2.187 1.00 0.00 O ATOM 214 CB PRO A 17 -20.533 -0.441 3.822 1.00 0.00 C ATOM 215 CG PRO A 17 -20.156 -1.770 3.270 1.00 0.00 C ATOM 216 CD PRO A 17 -20.334 -1.664 1.782 1.00 0.00 C ATOM 0 HA PRO A 17 -20.744 1.435 2.676 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -20.032 -0.250 4.771 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.605 -0.379 4.009 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -19.126 -2.020 3.523 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.786 -2.558 3.684 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -19.619 -2.289 1.246 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -21.330 -1.982 1.473 1.00 0.00 H new ATOM 224 N GLN A 18 -18.498 1.429 4.355 1.00 0.00 N ATOM 225 CA GLN A 18 -17.223 1.973 4.814 1.00 0.00 C ATOM 226 C GLN A 18 -16.142 0.894 4.864 1.00 0.00 C ATOM 227 O GLN A 18 -15.417 0.772 5.852 1.00 0.00 O ATOM 228 CB GLN A 18 -17.389 2.613 6.193 1.00 0.00 C ATOM 229 CG GLN A 18 -18.178 3.913 6.168 1.00 0.00 C ATOM 230 CD GLN A 18 -18.592 4.369 7.553 1.00 0.00 C ATOM 231 OE1 GLN A 18 -17.996 5.283 8.122 1.00 0.00 O ATOM 232 NE2 GLN A 18 -19.621 3.734 8.102 1.00 0.00 N ATOM 0 H GLN A 18 -19.192 1.309 5.093 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.907 2.733 4.100 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -17.890 1.906 6.855 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.403 2.804 6.617 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -17.576 4.691 5.698 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -19.067 3.782 5.551 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -20.086 2.982 7.594 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -19.947 3.999 9.032 1.00 0.00 H new ATOM 241 N GLU A 19 -16.037 0.116 3.793 1.00 0.00 N ATOM 242 CA GLU A 19 -15.044 -0.945 3.702 1.00 0.00 C ATOM 243 C GLU A 19 -13.721 -0.391 3.183 1.00 0.00 C ATOM 244 O GLU A 19 -12.847 -1.143 2.751 1.00 0.00 O ATOM 245 CB GLU A 19 -15.551 -2.047 2.769 1.00 0.00 C ATOM 246 CG GLU A 19 -15.172 -3.451 3.207 1.00 0.00 C ATOM 247 CD GLU A 19 -16.051 -3.969 4.330 1.00 0.00 C ATOM 248 OE1 GLU A 19 -15.803 -3.600 5.496 1.00 0.00 O ATOM 249 OE2 GLU A 19 -16.986 -4.746 4.041 1.00 0.00 O ATOM 0 H GLU A 19 -16.633 0.202 2.970 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.881 -1.361 4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.637 -1.980 2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.157 -1.871 1.768 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.244 -4.126 2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.132 -3.458 3.532 1.00 0.00 H new ATOM 256 N GLN A 20 -13.592 0.931 3.221 1.00 0.00 N ATOM 257 CA GLN A 20 -12.392 1.609 2.741 1.00 0.00 C ATOM 258 C GLN A 20 -11.127 1.018 3.358 1.00 0.00 C ATOM 259 O GLN A 20 -10.338 0.369 2.672 1.00 0.00 O ATOM 260 CB GLN A 20 -12.470 3.106 3.054 1.00 0.00 C ATOM 261 CG GLN A 20 -13.158 3.423 4.373 1.00 0.00 C ATOM 262 CD GLN A 20 -12.349 4.369 5.238 1.00 0.00 C ATOM 263 OE1 GLN A 20 -12.164 4.006 6.503 1.00 0.00 O flip ATOM 264 NE2 GLN A 20 -11.893 5.414 4.775 1.00 0.00 N flip ATOM 0 H GLN A 20 -14.310 1.559 3.582 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.341 1.464 1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.460 3.516 3.074 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.003 3.609 2.247 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.134 3.864 4.173 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.333 2.496 4.919 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.059 5.654 3.798 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.349 6.040 5.369 1.00 0.00 H new ATOM 273 N LYS A 21 -10.954 1.221 4.659 1.00 0.00 N ATOM 274 CA LYS A 21 -9.762 0.740 5.353 1.00 0.00 C ATOM 275 C LYS A 21 -9.571 -0.759 5.155 1.00 0.00 C ATOM 276 O LYS A 21 -8.483 -1.287 5.379 1.00 0.00 O ATOM 277 CB LYS A 21 -9.846 1.059 6.849 1.00 0.00 C ATOM 278 CG LYS A 21 -11.265 1.256 7.356 1.00 0.00 C ATOM 279 CD LYS A 21 -11.672 0.158 8.323 1.00 0.00 C ATOM 280 CE LYS A 21 -12.075 -1.111 7.591 1.00 0.00 C ATOM 281 NZ LYS A 21 -13.549 -1.326 7.621 1.00 0.00 N ATOM 0 H LYS A 21 -11.620 1.713 5.254 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.902 1.255 4.924 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.379 0.250 7.410 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.269 1.962 7.051 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.344 2.224 7.850 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.954 1.272 6.512 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.844 -0.058 8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.503 0.504 8.938 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.737 -1.056 6.556 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.574 -1.966 8.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.770 -2.271 7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.891 -1.252 8.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.017 -0.605 7.036 1.00 0.00 H new ATOM 295 N GLN A 22 -10.633 -1.447 4.754 1.00 0.00 N ATOM 296 CA GLN A 22 -10.561 -2.882 4.509 1.00 0.00 C ATOM 297 C GLN A 22 -9.808 -3.188 3.215 1.00 0.00 C ATOM 298 O GLN A 22 -8.640 -3.579 3.240 1.00 0.00 O ATOM 299 CB GLN A 22 -11.963 -3.488 4.453 1.00 0.00 C ATOM 300 CG GLN A 22 -11.974 -4.956 4.057 1.00 0.00 C ATOM 301 CD GLN A 22 -11.950 -5.884 5.256 1.00 0.00 C ATOM 302 OE1 GLN A 22 -11.343 -5.576 6.282 1.00 0.00 O ATOM 303 NE2 GLN A 22 -12.615 -7.027 5.132 1.00 0.00 N ATOM 0 H GLN A 22 -11.552 -1.036 4.592 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.012 -3.331 5.337 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.436 -3.380 5.429 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.566 -2.924 3.742 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -12.864 -5.161 3.461 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.111 -5.164 3.424 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.104 -7.241 4.263 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.637 -7.691 5.906 1.00 0.00 H new ATOM 312 N MET A 23 -10.503 -3.046 2.088 1.00 0.00 N ATOM 313 CA MET A 23 -9.932 -3.364 0.779 1.00 0.00 C ATOM 314 C MET A 23 -8.843 -2.377 0.357 1.00 0.00 C ATOM 315 O MET A 23 -7.670 -2.542 0.697 1.00 0.00 O ATOM 316 CB MET A 23 -11.030 -3.406 -0.297 1.00 0.00 C ATOM 317 CG MET A 23 -12.255 -2.559 0.020 1.00 0.00 C ATOM 318 SD MET A 23 -12.427 -1.146 -1.086 1.00 0.00 S ATOM 319 CE MET A 23 -13.503 -0.083 -0.129 1.00 0.00 C ATOM 0 H MET A 23 -11.466 -2.712 2.054 1.00 0.00 H new ATOM 0 HA MET A 23 -9.471 -4.347 0.874 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.607 -3.071 -1.244 1.00 0.00 H new ATOM 0 HB3 MET A 23 -11.345 -4.440 -0.437 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.149 -3.180 -0.048 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.191 -2.205 1.049 1.00 0.00 H new ATOM 0 HE1 MET A 23 -13.166 0.950 -0.217 1.00 0.00 H new ATOM 0 HE2 MET A 23 -14.523 -0.165 -0.504 1.00 0.00 H new ATOM 0 HE3 MET A 23 -13.476 -0.385 0.918 1.00 0.00 H new ATOM 329 N LEU A 24 -9.241 -1.387 -0.435 1.00 0.00 N ATOM 330 CA LEU A 24 -8.322 -0.404 -1.001 1.00 0.00 C ATOM 331 C LEU A 24 -7.591 0.410 0.060 1.00 0.00 C ATOM 332 O LEU A 24 -6.819 1.309 -0.273 1.00 0.00 O ATOM 333 CB LEU A 24 -9.109 0.531 -1.937 1.00 0.00 C ATOM 334 CG LEU A 24 -9.709 1.801 -1.310 1.00 0.00 C ATOM 335 CD1 LEU A 24 -10.706 2.435 -2.264 1.00 0.00 C ATOM 336 CD2 LEU A 24 -10.378 1.511 0.021 1.00 0.00 C ATOM 0 H LEU A 24 -10.214 -1.243 -0.704 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.555 -0.947 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.447 0.834 -2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.921 -0.042 -2.385 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.889 2.495 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.124 3.333 -1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.202 2.700 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.508 1.728 -2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.789 2.434 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.182 0.790 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.644 1.101 0.715 1.00 0.00 H new ATOM 348 N GLY A 25 -7.858 0.135 1.335 1.00 0.00 N ATOM 349 CA GLY A 25 -7.270 0.955 2.371 1.00 0.00 C ATOM 350 C GLY A 25 -7.815 2.351 2.236 1.00 0.00 C ATOM 351 O GLY A 25 -9.025 2.557 2.293 1.00 0.00 O ATOM 0 H GLY A 25 -8.457 -0.624 1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.505 0.549 3.355 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.184 0.961 2.280 1.00 0.00 H new ATOM 355 N GLU A 26 -6.945 3.306 1.981 1.00 0.00 N ATOM 356 CA GLU A 26 -7.406 4.622 1.597 1.00 0.00 C ATOM 357 C GLU A 26 -7.859 4.540 0.142 1.00 0.00 C ATOM 358 O GLU A 26 -9.046 4.627 -0.171 1.00 0.00 O ATOM 359 CB GLU A 26 -6.304 5.668 1.766 1.00 0.00 C ATOM 360 CG GLU A 26 -6.515 6.584 2.960 1.00 0.00 C ATOM 361 CD GLU A 26 -6.537 5.834 4.277 1.00 0.00 C ATOM 362 OE1 GLU A 26 -7.617 5.334 4.658 1.00 0.00 O ATOM 363 OE2 GLU A 26 -5.476 5.746 4.929 1.00 0.00 O ATOM 0 H GLU A 26 -5.932 3.199 2.031 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.231 4.932 2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.345 5.160 1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.246 6.272 0.861 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.721 7.330 2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.455 7.123 2.838 1.00 0.00 H new ATOM 370 N ARG A 27 -6.877 4.328 -0.727 1.00 0.00 N ATOM 371 CA ARG A 27 -7.096 4.119 -2.153 1.00 0.00 C ATOM 372 C ARG A 27 -5.864 3.435 -2.735 1.00 0.00 C ATOM 373 O ARG A 27 -5.698 3.336 -3.946 1.00 0.00 O ATOM 374 CB ARG A 27 -7.349 5.452 -2.863 1.00 0.00 C ATOM 375 CG ARG A 27 -7.868 5.307 -4.286 1.00 0.00 C ATOM 376 CD ARG A 27 -9.105 4.425 -4.345 1.00 0.00 C ATOM 377 NE ARG A 27 -10.095 4.928 -5.293 1.00 0.00 N ATOM 378 CZ ARG A 27 -11.113 4.204 -5.751 1.00 0.00 C ATOM 379 NH1 ARG A 27 -11.271 2.949 -5.352 1.00 0.00 N ATOM 380 NH2 ARG A 27 -11.972 4.735 -6.609 1.00 0.00 N ATOM 0 H ARG A 27 -5.894 4.296 -0.457 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.976 3.492 -2.300 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.068 6.030 -2.282 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.421 6.023 -2.882 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.103 6.292 -4.690 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.087 4.882 -4.917 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.815 3.413 -4.628 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.553 4.363 -3.353 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.001 5.889 -5.623 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.611 2.537 -4.692 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.052 2.396 -5.705 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.853 5.699 -6.919 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.752 4.179 -6.960 1.00 0.00 H new ATOM 394 N LEU A 28 -5.011 2.963 -1.835 1.00 0.00 N ATOM 395 CA LEU A 28 -3.719 2.388 -2.187 1.00 0.00 C ATOM 396 C LEU A 28 -3.815 1.201 -3.143 1.00 0.00 C ATOM 397 O LEU A 28 -3.536 1.332 -4.335 1.00 0.00 O ATOM 398 CB LEU A 28 -3.015 1.940 -0.904 1.00 0.00 C ATOM 399 CG LEU A 28 -2.106 2.979 -0.247 1.00 0.00 C ATOM 400 CD1 LEU A 28 -0.918 3.286 -1.141 1.00 0.00 C ATOM 401 CD2 LEU A 28 -2.883 4.243 0.075 1.00 0.00 C ATOM 0 H LEU A 28 -5.198 2.968 -0.832 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.157 3.163 -2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.774 1.640 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.420 1.054 -1.128 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.730 2.567 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.281 4.027 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.347 2.374 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.272 3.678 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.218 4.970 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.292 4.663 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.698 4.005 0.759 1.00 0.00 H new ATOM 413 N PHE A 29 -4.126 0.033 -2.587 1.00 0.00 N ATOM 414 CA PHE A 29 -4.160 -1.223 -3.338 1.00 0.00 C ATOM 415 C PHE A 29 -4.613 -1.058 -4.797 1.00 0.00 C ATOM 416 O PHE A 29 -3.948 -1.559 -5.697 1.00 0.00 O ATOM 417 CB PHE A 29 -5.047 -2.247 -2.621 1.00 0.00 C ATOM 418 CG PHE A 29 -4.381 -3.582 -2.413 1.00 0.00 C ATOM 419 CD1 PHE A 29 -3.766 -4.242 -3.467 1.00 0.00 C ATOM 420 CD2 PHE A 29 -4.374 -4.178 -1.161 1.00 0.00 C ATOM 421 CE1 PHE A 29 -3.156 -5.466 -3.276 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.764 -5.403 -0.965 1.00 0.00 C ATOM 423 CZ PHE A 29 -3.162 -6.050 -2.026 1.00 0.00 C ATOM 0 H PHE A 29 -4.362 -0.071 -1.600 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.132 -1.583 -3.376 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.343 -1.844 -1.653 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.960 -2.392 -3.199 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.764 -3.793 -4.449 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.850 -3.680 -0.330 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.675 -5.965 -4.104 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.758 -5.853 0.017 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.696 -7.013 -1.877 1.00 0.00 H new ATOM 433 N PRO A 30 -5.744 -0.373 -5.064 1.00 0.00 N ATOM 434 CA PRO A 30 -6.262 -0.217 -6.433 1.00 0.00 C ATOM 435 C PRO A 30 -5.281 0.475 -7.382 1.00 0.00 C ATOM 436 O PRO A 30 -5.114 0.045 -8.528 1.00 0.00 O ATOM 437 CB PRO A 30 -7.530 0.628 -6.264 1.00 0.00 C ATOM 438 CG PRO A 30 -7.440 1.213 -4.897 1.00 0.00 C ATOM 439 CD PRO A 30 -6.640 0.243 -4.076 1.00 0.00 C ATOM 0 HA PRO A 30 -6.442 -1.191 -6.889 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.585 1.409 -7.022 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.426 0.017 -6.371 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.958 2.190 -4.923 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.432 1.358 -4.470 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.083 0.747 -3.286 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.277 -0.498 -3.593 1.00 0.00 H new ATOM 447 N LEU A 31 -4.613 1.529 -6.914 1.00 0.00 N ATOM 448 CA LEU A 31 -3.673 2.247 -7.778 1.00 0.00 C ATOM 449 C LEU A 31 -2.437 1.400 -8.024 1.00 0.00 C ATOM 450 O LEU A 31 -1.982 1.257 -9.162 1.00 0.00 O ATOM 451 CB LEU A 31 -3.257 3.599 -7.185 1.00 0.00 C ATOM 452 CG LEU A 31 -4.025 4.046 -5.947 1.00 0.00 C ATOM 453 CD1 LEU A 31 -3.071 4.544 -4.874 1.00 0.00 C ATOM 454 CD2 LEU A 31 -5.033 5.122 -6.305 1.00 0.00 C ATOM 0 H LEU A 31 -4.700 1.898 -5.967 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.186 2.440 -8.720 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.197 3.554 -6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.371 4.362 -7.955 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.565 3.186 -5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.640 4.858 -3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.388 3.742 -4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.500 5.389 -5.258 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.572 5.429 -5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.513 5.982 -6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.740 4.730 -7.037 1.00 0.00 H new ATOM 466 N ILE A 32 -1.909 0.812 -6.961 1.00 0.00 N ATOM 467 CA ILE A 32 -0.753 -0.050 -7.091 1.00 0.00 C ATOM 468 C ILE A 32 -1.164 -1.384 -7.698 1.00 0.00 C ATOM 469 O ILE A 32 -0.319 -2.172 -8.106 1.00 0.00 O ATOM 470 CB ILE A 32 -0.048 -0.295 -5.748 1.00 0.00 C ATOM 471 CG1 ILE A 32 -0.462 0.765 -4.721 1.00 0.00 C ATOM 472 CG2 ILE A 32 1.460 -0.288 -5.951 1.00 0.00 C ATOM 473 CD1 ILE A 32 0.261 0.654 -3.397 1.00 0.00 C ATOM 0 H ILE A 32 -2.261 0.917 -6.009 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.047 0.460 -7.746 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.347 -1.270 -5.363 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.279 1.754 -5.141 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.535 0.686 -4.545 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.956 -0.462 -4.996 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.736 -1.075 -6.653 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.769 0.678 -6.350 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.087 1.439 -2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.059 -0.320 -2.953 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.333 0.764 -3.558 1.00 0.00 H new ATOM 485 N GLN A 33 -2.470 -1.629 -7.758 1.00 0.00 N ATOM 486 CA GLN A 33 -2.979 -2.840 -8.387 1.00 0.00 C ATOM 487 C GLN A 33 -2.579 -2.823 -9.849 1.00 0.00 C ATOM 488 O GLN A 33 -2.148 -3.831 -10.405 1.00 0.00 O ATOM 489 CB GLN A 33 -4.498 -2.937 -8.242 1.00 0.00 C ATOM 490 CG GLN A 33 -5.119 -4.072 -9.042 1.00 0.00 C ATOM 491 CD GLN A 33 -4.595 -5.433 -8.630 1.00 0.00 C ATOM 492 OE1 GLN A 33 -4.459 -5.725 -7.443 1.00 0.00 O ATOM 493 NE2 GLN A 33 -4.296 -6.274 -9.614 1.00 0.00 N ATOM 0 H GLN A 33 -3.188 -1.010 -7.382 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.552 -3.715 -7.896 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.746 -3.069 -7.189 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.945 -1.995 -8.559 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.201 -4.050 -8.915 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.919 -3.916 -10.102 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.425 -5.989 -10.585 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.938 -7.204 -9.399 1.00 0.00 H new ATOM 502 N ALA A 34 -2.652 -1.639 -10.443 1.00 0.00 N ATOM 503 CA ALA A 34 -2.191 -1.450 -11.809 1.00 0.00 C ATOM 504 C ALA A 34 -0.671 -1.604 -11.849 1.00 0.00 C ATOM 505 O ALA A 34 -0.105 -2.095 -12.826 1.00 0.00 O ATOM 506 CB ALA A 34 -2.611 -0.087 -12.335 1.00 0.00 C ATOM 0 H ALA A 34 -3.025 -0.799 -10.001 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.645 -2.204 -12.451 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.256 0.033 -13.358 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.698 -0.009 -12.317 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.181 0.694 -11.707 1.00 0.00 H new ATOM 512 N MET A 35 -0.031 -1.218 -10.745 1.00 0.00 N ATOM 513 CA MET A 35 1.420 -1.336 -10.596 1.00 0.00 C ATOM 514 C MET A 35 1.766 -2.563 -9.759 1.00 0.00 C ATOM 515 O MET A 35 2.787 -2.596 -9.072 1.00 0.00 O ATOM 516 CB MET A 35 1.977 -0.078 -9.927 1.00 0.00 C ATOM 517 CG MET A 35 1.363 1.202 -10.461 1.00 0.00 C ATOM 518 SD MET A 35 2.083 2.685 -9.739 1.00 0.00 S ATOM 519 CE MET A 35 0.606 3.656 -9.465 1.00 0.00 C ATOM 0 H MET A 35 -0.500 -0.817 -9.933 1.00 0.00 H new ATOM 0 HA MET A 35 1.867 -1.446 -11.584 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.802 -0.137 -8.853 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.057 -0.044 -10.073 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.489 1.234 -11.543 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.291 1.193 -10.265 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.885 4.663 -9.153 1.00 0.00 H new ATOM 0 HE2 MET A 35 0.029 3.709 -10.388 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.003 3.189 -8.686 1.00 0.00 H new ATOM 529 N HIS A 36 0.890 -3.564 -9.813 1.00 0.00 N ATOM 530 CA HIS A 36 1.053 -4.780 -9.022 1.00 0.00 C ATOM 531 C HIS A 36 2.304 -5.588 -9.401 1.00 0.00 C ATOM 532 O HIS A 36 2.882 -6.237 -8.528 1.00 0.00 O ATOM 533 CB HIS A 36 -0.207 -5.650 -9.116 1.00 0.00 C ATOM 534 CG HIS A 36 -0.134 -6.748 -10.133 1.00 0.00 C ATOM 535 ND1 HIS A 36 0.547 -7.916 -9.882 1.00 0.00 N ATOM 536 CD2 HIS A 36 -0.682 -6.812 -11.372 1.00 0.00 C ATOM 537 CE1 HIS A 36 0.408 -8.657 -10.967 1.00 0.00 C ATOM 538 NE2 HIS A 36 -0.328 -8.028 -11.895 1.00 0.00 N ATOM 0 H HIS A 36 0.056 -3.556 -10.400 1.00 0.00 H new ATOM 0 HA HIS A 36 1.198 -4.464 -7.989 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.402 -6.091 -8.138 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -1.057 -5.010 -9.352 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.281 -6.053 -11.853 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.832 -9.642 -11.091 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -0.577 -8.387 -12.817 1.00 0.00 H new ATOM 546 N PRO A 37 2.751 -5.581 -10.687 1.00 0.00 N ATOM 547 CA PRO A 37 3.951 -6.318 -11.098 1.00 0.00 C ATOM 548 C PRO A 37 5.046 -6.272 -10.037 1.00 0.00 C ATOM 549 O PRO A 37 5.823 -7.216 -9.887 1.00 0.00 O ATOM 550 CB PRO A 37 4.384 -5.578 -12.358 1.00 0.00 C ATOM 551 CG PRO A 37 3.106 -5.116 -12.971 1.00 0.00 C ATOM 552 CD PRO A 37 2.151 -4.859 -11.830 1.00 0.00 C ATOM 0 HA PRO A 37 3.759 -7.380 -11.253 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.038 -4.739 -12.122 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.936 -6.232 -13.034 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.262 -4.211 -13.557 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.706 -5.870 -13.649 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.056 -3.793 -11.622 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.151 -5.230 -12.056 1.00 0.00 H new ATOM 560 N THR A 38 5.077 -5.177 -9.282 1.00 0.00 N ATOM 561 CA THR A 38 6.019 -5.026 -8.183 1.00 0.00 C ATOM 562 C THR A 38 5.531 -5.819 -6.973 1.00 0.00 C ATOM 563 O THR A 38 5.856 -6.997 -6.822 1.00 0.00 O ATOM 564 CB THR A 38 6.175 -3.546 -7.822 1.00 0.00 C ATOM 565 OG1 THR A 38 5.818 -2.725 -8.920 1.00 0.00 O ATOM 566 CG2 THR A 38 7.578 -3.168 -7.405 1.00 0.00 C ATOM 0 H THR A 38 4.456 -4.379 -9.414 1.00 0.00 H new ATOM 0 HA THR A 38 6.991 -5.412 -8.490 1.00 0.00 H new ATOM 0 HB THR A 38 5.511 -3.388 -6.972 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.856 -2.543 -8.893 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.612 -2.105 -7.164 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.866 -3.748 -6.528 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.269 -3.378 -8.221 1.00 0.00 H new ATOM 574 N LEU A 39 4.725 -5.175 -6.129 1.00 0.00 N ATOM 575 CA LEU A 39 4.149 -5.834 -4.959 1.00 0.00 C ATOM 576 C LEU A 39 3.102 -4.942 -4.290 1.00 0.00 C ATOM 577 O LEU A 39 3.223 -4.611 -3.110 1.00 0.00 O ATOM 578 CB LEU A 39 5.243 -6.204 -3.954 1.00 0.00 C ATOM 579 CG LEU A 39 5.111 -7.595 -3.322 1.00 0.00 C ATOM 580 CD1 LEU A 39 3.786 -7.728 -2.585 1.00 0.00 C ATOM 581 CD2 LEU A 39 5.246 -8.680 -4.379 1.00 0.00 C ATOM 0 H LEU A 39 4.457 -4.197 -6.235 1.00 0.00 H new ATOM 0 HA LEU A 39 3.660 -6.748 -5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.209 -6.141 -4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.248 -5.460 -3.157 1.00 0.00 H new ATOM 0 HG LEU A 39 5.918 -7.718 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.713 -8.722 -2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.731 -6.977 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.964 -7.580 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.149 -9.659 -3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.464 -8.558 -5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.222 -8.602 -4.858 1.00 0.00 H new ATOM 593 N ALA A 40 2.074 -4.565 -5.051 1.00 0.00 N ATOM 594 CA ALA A 40 1.001 -3.710 -4.543 1.00 0.00 C ATOM 595 C ALA A 40 0.551 -4.136 -3.147 1.00 0.00 C ATOM 596 O ALA A 40 0.208 -3.298 -2.312 1.00 0.00 O ATOM 597 CB ALA A 40 -0.182 -3.731 -5.503 1.00 0.00 C ATOM 0 H ALA A 40 1.962 -4.840 -6.027 1.00 0.00 H new ATOM 0 HA ALA A 40 1.392 -2.695 -4.470 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.976 -3.092 -5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.135 -3.365 -6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.553 -4.751 -5.601 1.00 0.00 H new ATOM 603 N GLY A 41 0.564 -5.443 -2.905 1.00 0.00 N ATOM 604 CA GLY A 41 0.128 -5.982 -1.627 1.00 0.00 C ATOM 605 C GLY A 41 0.725 -5.281 -0.424 1.00 0.00 C ATOM 606 O GLY A 41 -0.004 -4.850 0.466 1.00 0.00 O ATOM 0 H GLY A 41 0.872 -6.145 -3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.959 -5.918 -1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.387 -7.040 -1.583 1.00 0.00 H new ATOM 610 N LYS A 42 2.046 -5.249 -0.339 1.00 0.00 N ATOM 611 CA LYS A 42 2.707 -4.626 0.801 1.00 0.00 C ATOM 612 C LYS A 42 2.742 -3.104 0.685 1.00 0.00 C ATOM 613 O LYS A 42 2.578 -2.400 1.680 1.00 0.00 O ATOM 614 CB LYS A 42 4.129 -5.167 0.980 1.00 0.00 C ATOM 615 CG LYS A 42 4.818 -4.678 2.253 1.00 0.00 C ATOM 616 CD LYS A 42 3.835 -4.485 3.404 1.00 0.00 C ATOM 617 CE LYS A 42 4.379 -3.529 4.454 1.00 0.00 C ATOM 618 NZ LYS A 42 5.770 -3.874 4.856 1.00 0.00 N ATOM 0 H LYS A 42 2.677 -5.642 -1.037 1.00 0.00 H new ATOM 0 HA LYS A 42 2.116 -4.883 1.680 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.095 -6.256 0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.730 -4.876 0.118 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.584 -5.396 2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.326 -3.735 2.050 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.891 -4.101 3.016 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.621 -5.449 3.865 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.356 -2.511 4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.733 -3.549 5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.881 -3.732 5.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.962 -4.869 4.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.440 -3.263 4.347 1.00 0.00 H new ATOM 632 N ILE A 43 2.968 -2.600 -0.525 1.00 0.00 N ATOM 633 CA ILE A 43 3.071 -1.158 -0.736 1.00 0.00 C ATOM 634 C ILE A 43 1.860 -0.425 -0.172 1.00 0.00 C ATOM 635 O ILE A 43 2.013 0.561 0.548 1.00 0.00 O ATOM 636 CB ILE A 43 3.222 -0.797 -2.220 1.00 0.00 C ATOM 637 CG1 ILE A 43 4.241 -1.714 -2.900 1.00 0.00 C ATOM 638 CG2 ILE A 43 3.641 0.656 -2.353 1.00 0.00 C ATOM 639 CD1 ILE A 43 4.329 -1.508 -4.396 1.00 0.00 C ATOM 0 H ILE A 43 3.083 -3.162 -1.368 1.00 0.00 H new ATOM 0 HA ILE A 43 3.969 -0.841 -0.206 1.00 0.00 H new ATOM 0 HB ILE A 43 2.261 -0.937 -2.715 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.223 -1.544 -2.459 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.976 -2.752 -2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.747 0.909 -3.408 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.883 1.296 -1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.594 0.808 -1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.070 -2.190 -4.814 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.357 -1.706 -4.848 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.624 -0.480 -4.605 1.00 0.00 H new ATOM 651 N THR A 44 0.660 -0.905 -0.497 1.00 0.00 N ATOM 652 CA THR A 44 -0.561 -0.295 0.015 1.00 0.00 C ATOM 653 C THR A 44 -0.440 -0.077 1.515 1.00 0.00 C ATOM 654 O THR A 44 -0.676 1.021 2.012 1.00 0.00 O ATOM 655 CB THR A 44 -1.775 -1.179 -0.292 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.950 -0.636 0.281 1.00 0.00 O ATOM 657 CG2 THR A 44 -1.637 -2.589 0.224 1.00 0.00 C ATOM 0 H THR A 44 0.510 -1.708 -1.108 1.00 0.00 H new ATOM 0 HA THR A 44 -0.702 0.668 -0.477 1.00 0.00 H new ATOM 0 HB THR A 44 -1.836 -1.208 -1.380 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.713 -1.214 0.072 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.532 -3.158 -0.028 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.767 -3.060 -0.233 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.513 -2.570 1.307 1.00 0.00 H new ATOM 665 N GLY A 45 -0.001 -1.118 2.217 1.00 0.00 N ATOM 666 CA GLY A 45 0.175 -1.035 3.653 1.00 0.00 C ATOM 667 C GLY A 45 1.105 0.085 4.068 1.00 0.00 C ATOM 668 O GLY A 45 0.754 0.911 4.910 1.00 0.00 O ATOM 0 H GLY A 45 0.237 -2.023 1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.796 -0.888 4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.568 -1.983 4.021 1.00 0.00 H new ATOM 672 N MET A 46 2.301 0.107 3.492 1.00 0.00 N ATOM 673 CA MET A 46 3.286 1.131 3.831 1.00 0.00 C ATOM 674 C MET A 46 2.710 2.530 3.633 1.00 0.00 C ATOM 675 O MET A 46 2.686 3.339 4.561 1.00 0.00 O ATOM 676 CB MET A 46 4.563 0.970 2.995 1.00 0.00 C ATOM 677 CG MET A 46 4.731 -0.403 2.366 1.00 0.00 C ATOM 678 SD MET A 46 6.272 -1.204 2.852 1.00 0.00 S ATOM 679 CE MET A 46 6.831 -1.854 1.281 1.00 0.00 C ATOM 0 H MET A 46 2.612 -0.567 2.792 1.00 0.00 H new ATOM 0 HA MET A 46 3.541 1.002 4.883 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.563 1.721 2.205 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.426 1.174 3.629 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.891 -1.035 2.653 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.702 -0.307 1.281 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.054 -2.916 1.385 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.050 -1.719 0.533 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.730 -1.323 0.967 1.00 0.00 H new ATOM 689 N LEU A 47 2.240 2.806 2.422 1.00 0.00 N ATOM 690 CA LEU A 47 1.678 4.113 2.099 1.00 0.00 C ATOM 691 C LEU A 47 0.235 4.237 2.591 1.00 0.00 C ATOM 692 O LEU A 47 -0.447 5.217 2.288 1.00 0.00 O ATOM 693 CB LEU A 47 1.735 4.359 0.586 1.00 0.00 C ATOM 694 CG LEU A 47 3.143 4.476 -0.016 1.00 0.00 C ATOM 695 CD1 LEU A 47 3.956 5.535 0.710 1.00 0.00 C ATOM 696 CD2 LEU A 47 3.860 3.136 0.020 1.00 0.00 C ATOM 0 H LEU A 47 2.237 2.143 1.647 1.00 0.00 H new ATOM 0 HA LEU A 47 2.278 4.866 2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.211 3.545 0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.188 5.275 0.364 1.00 0.00 H new ATOM 0 HG LEU A 47 3.038 4.780 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.949 5.599 0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.457 6.500 0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.046 5.266 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.855 3.244 -0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.947 2.798 1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.293 2.404 -0.555 1.00 0.00 H new ATOM 708 N LEU A 48 -0.225 3.246 3.353 1.00 0.00 N ATOM 709 CA LEU A 48 -1.589 3.259 3.882 1.00 0.00 C ATOM 710 C LEU A 48 -1.774 4.405 4.871 1.00 0.00 C ATOM 711 O LEU A 48 -2.896 4.850 5.118 1.00 0.00 O ATOM 712 CB LEU A 48 -1.917 1.923 4.563 1.00 0.00 C ATOM 713 CG LEU A 48 -3.324 1.362 4.311 1.00 0.00 C ATOM 714 CD1 LEU A 48 -4.344 2.475 4.151 1.00 0.00 C ATOM 715 CD2 LEU A 48 -3.329 0.460 3.087 1.00 0.00 C ATOM 0 H LEU A 48 0.323 2.427 3.617 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.273 3.405 3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.189 1.182 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.784 2.044 5.638 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.606 0.772 5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.329 2.043 3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.370 3.078 5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.066 3.104 3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.335 0.072 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.015 1.031 2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.641 -0.371 3.244 1.00 0.00 H new ATOM 727 N GLU A 49 -0.666 4.900 5.415 1.00 0.00 N ATOM 728 CA GLU A 49 -0.710 6.006 6.364 1.00 0.00 C ATOM 729 C GLU A 49 -0.967 7.330 5.646 1.00 0.00 C ATOM 730 O GLU A 49 -0.689 8.403 6.182 1.00 0.00 O ATOM 731 CB GLU A 49 0.600 6.081 7.151 1.00 0.00 C ATOM 732 CG GLU A 49 0.911 4.814 7.932 1.00 0.00 C ATOM 733 CD GLU A 49 1.136 5.078 9.409 1.00 0.00 C ATOM 734 OE1 GLU A 49 1.018 6.248 9.831 1.00 0.00 O ATOM 735 OE2 GLU A 49 1.434 4.113 10.146 1.00 0.00 O ATOM 0 H GLU A 49 0.272 4.553 5.215 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.531 5.826 7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.419 6.283 6.460 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.552 6.922 7.843 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.089 4.108 7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.799 4.342 7.512 1.00 0.00 H new ATOM 742 N ILE A 50 -1.509 7.242 4.434 1.00 0.00 N ATOM 743 CA ILE A 50 -1.809 8.424 3.637 1.00 0.00 C ATOM 744 C ILE A 50 -3.162 9.019 4.031 1.00 0.00 C ATOM 745 O ILE A 50 -3.927 8.403 4.774 1.00 0.00 O ATOM 746 CB ILE A 50 -1.797 8.091 2.128 1.00 0.00 C ATOM 747 CG1 ILE A 50 -1.167 9.236 1.335 1.00 0.00 C ATOM 748 CG2 ILE A 50 -3.201 7.789 1.618 1.00 0.00 C ATOM 749 CD1 ILE A 50 -0.863 8.877 -0.102 1.00 0.00 C ATOM 0 H ILE A 50 -1.750 6.360 3.983 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.032 9.162 3.836 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.193 7.195 1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.840 10.093 1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.245 9.544 1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.160 7.559 0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.609 6.935 2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.840 8.657 1.777 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.418 9.735 -0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.166 8.039 -0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.786 8.597 -0.610 1.00 0.00 H new ATOM 761 N ASP A 51 -3.444 10.220 3.537 1.00 0.00 N ATOM 762 CA ASP A 51 -4.697 10.900 3.843 1.00 0.00 C ATOM 763 C ASP A 51 -5.877 10.229 3.153 1.00 0.00 C ATOM 764 O ASP A 51 -5.720 9.579 2.119 1.00 0.00 O ATOM 765 CB ASP A 51 -4.621 12.361 3.402 1.00 0.00 C ATOM 766 CG ASP A 51 -3.879 13.230 4.397 1.00 0.00 C ATOM 767 OD1 ASP A 51 -2.636 13.309 4.306 1.00 0.00 O ATOM 768 OD2 ASP A 51 -4.541 13.835 5.268 1.00 0.00 O ATOM 0 H ASP A 51 -2.821 10.743 2.922 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.849 10.844 4.921 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.125 12.419 2.433 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.631 12.749 3.267 1.00 0.00 H new ATOM 773 N ASN A 52 -7.065 10.419 3.717 1.00 0.00 N ATOM 774 CA ASN A 52 -8.283 9.883 3.126 1.00 0.00 C ATOM 775 C ASN A 52 -8.851 10.884 2.126 1.00 0.00 C ATOM 776 O ASN A 52 -9.496 10.512 1.146 1.00 0.00 O ATOM 777 CB ASN A 52 -9.317 9.563 4.210 1.00 0.00 C ATOM 778 CG ASN A 52 -9.182 8.147 4.736 1.00 0.00 C ATOM 779 OD1 ASN A 52 -9.878 7.210 4.102 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -8.462 7.897 5.702 1.00 0.00 N flip ATOM 0 H ASN A 52 -7.209 10.940 4.582 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.043 8.956 2.606 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.205 10.267 5.035 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.319 9.704 3.805 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.944 8.647 6.160 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.383 6.940 6.045 1.00 0.00 H new ATOM 787 N SER A 53 -8.581 12.161 2.367 1.00 0.00 N ATOM 788 CA SER A 53 -9.011 13.211 1.457 1.00 0.00 C ATOM 789 C SER A 53 -8.144 13.189 0.205 1.00 0.00 C ATOM 790 O SER A 53 -8.602 13.511 -0.893 1.00 0.00 O ATOM 791 CB SER A 53 -8.923 14.579 2.139 1.00 0.00 C ATOM 792 OG SER A 53 -8.532 15.584 1.220 1.00 0.00 O ATOM 0 H SER A 53 -8.067 12.492 3.184 1.00 0.00 H new ATOM 0 HA SER A 53 -10.049 13.034 1.177 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.890 14.835 2.573 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.207 14.534 2.960 1.00 0.00 H new ATOM 0 HG SER A 53 -8.485 16.448 1.680 1.00 0.00 H new ATOM 798 N GLU A 54 -6.894 12.774 0.382 1.00 0.00 N ATOM 799 CA GLU A 54 -5.953 12.673 -0.723 1.00 0.00 C ATOM 800 C GLU A 54 -6.234 11.426 -1.550 1.00 0.00 C ATOM 801 O GLU A 54 -5.991 11.405 -2.755 1.00 0.00 O ATOM 802 CB GLU A 54 -4.518 12.631 -0.196 1.00 0.00 C ATOM 803 CG GLU A 54 -4.024 13.970 0.324 1.00 0.00 C ATOM 804 CD GLU A 54 -2.581 14.244 -0.050 1.00 0.00 C ATOM 805 OE1 GLU A 54 -2.267 14.224 -1.258 1.00 0.00 O ATOM 806 OE2 GLU A 54 -1.765 14.479 0.866 1.00 0.00 O ATOM 0 H GLU A 54 -6.509 12.501 1.286 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.074 13.551 -1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.455 11.894 0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.856 12.293 -0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.655 14.765 -0.073 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.125 13.994 1.409 1.00 0.00 H new ATOM 813 N LEU A 55 -6.767 10.395 -0.897 1.00 0.00 N ATOM 814 CA LEU A 55 -7.080 9.144 -1.578 1.00 0.00 C ATOM 815 C LEU A 55 -8.063 9.395 -2.714 1.00 0.00 C ATOM 816 O LEU A 55 -7.862 8.933 -3.837 1.00 0.00 O ATOM 817 CB LEU A 55 -7.633 8.112 -0.579 1.00 0.00 C ATOM 818 CG LEU A 55 -9.153 8.110 -0.359 1.00 0.00 C ATOM 819 CD1 LEU A 55 -9.865 7.309 -1.441 1.00 0.00 C ATOM 820 CD2 LEU A 55 -9.485 7.546 1.013 1.00 0.00 C ATOM 0 H LEU A 55 -6.990 10.402 0.098 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.165 8.736 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.337 7.119 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.150 8.278 0.384 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.503 9.141 -0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.939 7.326 -1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.656 7.749 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.510 6.279 -1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.566 7.550 1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.113 6.524 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.015 8.159 1.782 1.00 0.00 H new ATOM 832 N LEU A 56 -9.100 10.167 -2.422 1.00 0.00 N ATOM 833 CA LEU A 56 -10.102 10.510 -3.423 1.00 0.00 C ATOM 834 C LEU A 56 -9.463 11.268 -4.583 1.00 0.00 C ATOM 835 O LEU A 56 -9.693 10.949 -5.752 1.00 0.00 O ATOM 836 CB LEU A 56 -11.212 11.357 -2.795 1.00 0.00 C ATOM 837 CG LEU A 56 -12.175 12.009 -3.791 1.00 0.00 C ATOM 838 CD1 LEU A 56 -13.283 11.039 -4.172 1.00 0.00 C ATOM 839 CD2 LEU A 56 -12.757 13.290 -3.214 1.00 0.00 C ATOM 0 H LEU A 56 -9.270 10.568 -1.500 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.535 9.586 -3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.787 10.728 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.753 12.140 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 56 -11.618 12.265 -4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -13.959 11.518 -4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -12.848 10.151 -4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -13.838 10.752 -3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.439 13.738 -3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -13.300 13.062 -2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.950 13.989 -2.994 1.00 0.00 H new ATOM 851 N HIS A 57 -8.650 12.266 -4.250 1.00 0.00 N ATOM 852 CA HIS A 57 -7.979 13.078 -5.258 1.00 0.00 C ATOM 853 C HIS A 57 -6.974 12.254 -6.057 1.00 0.00 C ATOM 854 O HIS A 57 -6.584 12.637 -7.160 1.00 0.00 O ATOM 855 CB HIS A 57 -7.268 14.261 -4.594 1.00 0.00 C ATOM 856 CG HIS A 57 -7.846 15.598 -4.954 1.00 0.00 C ATOM 857 ND1 HIS A 57 -7.306 16.764 -4.466 1.00 0.00 N ATOM 858 CD2 HIS A 57 -8.905 15.900 -5.747 1.00 0.00 C ATOM 859 CE1 HIS A 57 -8.039 17.743 -4.967 1.00 0.00 C ATOM 860 NE2 HIS A 57 -9.019 17.265 -5.749 1.00 0.00 N ATOM 0 H HIS A 57 -8.440 12.532 -3.288 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.738 13.450 -5.946 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -7.311 14.137 -3.512 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -6.215 14.244 -4.875 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.536 15.200 -6.274 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -7.871 18.792 -4.772 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.717 17.814 -6.250 1.00 0.00 H new ATOM 868 N MET A 58 -6.557 11.123 -5.495 1.00 0.00 N ATOM 869 CA MET A 58 -5.591 10.252 -6.159 1.00 0.00 C ATOM 870 C MET A 58 -6.209 9.578 -7.378 1.00 0.00 C ATOM 871 O MET A 58 -5.679 9.673 -8.486 1.00 0.00 O ATOM 872 CB MET A 58 -5.068 9.197 -5.184 1.00 0.00 C ATOM 873 CG MET A 58 -4.008 9.725 -4.230 1.00 0.00 C ATOM 874 SD MET A 58 -2.689 10.614 -5.073 1.00 0.00 S ATOM 875 CE MET A 58 -3.216 12.312 -4.853 1.00 0.00 C ATOM 0 H MET A 58 -6.871 10.789 -4.584 1.00 0.00 H new ATOM 0 HA MET A 58 -4.757 10.868 -6.495 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.903 8.803 -4.605 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.653 8.364 -5.751 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.478 10.387 -3.502 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.580 8.892 -3.673 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.404 12.984 -5.130 1.00 0.00 H new ATOM 0 HE2 MET A 58 -4.081 12.509 -5.486 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.484 12.477 -3.810 1.00 0.00 H new ATOM 885 N LEU A 59 -7.333 8.898 -7.172 1.00 0.00 N ATOM 886 CA LEU A 59 -8.023 8.220 -8.263 1.00 0.00 C ATOM 887 C LEU A 59 -8.506 9.224 -9.300 1.00 0.00 C ATOM 888 O LEU A 59 -8.803 8.863 -10.439 1.00 0.00 O ATOM 889 CB LEU A 59 -9.210 7.411 -7.730 1.00 0.00 C ATOM 890 CG LEU A 59 -9.305 5.967 -8.241 1.00 0.00 C ATOM 891 CD1 LEU A 59 -9.260 5.924 -9.761 1.00 0.00 C ATOM 892 CD2 LEU A 59 -8.193 5.115 -7.648 1.00 0.00 C ATOM 0 H LEU A 59 -7.784 8.802 -6.262 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.316 7.539 -8.737 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.154 7.390 -6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -10.130 7.933 -7.992 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.262 5.557 -7.919 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.329 4.890 -10.098 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.096 6.494 -10.166 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.323 6.357 -10.110 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.277 4.095 -8.022 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.226 5.528 -7.935 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.278 5.111 -6.561 1.00 0.00 H new ATOM 904 N GLU A 60 -8.570 10.489 -8.902 1.00 0.00 N ATOM 905 CA GLU A 60 -9.019 11.542 -9.799 1.00 0.00 C ATOM 906 C GLU A 60 -7.828 12.219 -10.481 1.00 0.00 C ATOM 907 O GLU A 60 -7.991 12.928 -11.475 1.00 0.00 O ATOM 908 CB GLU A 60 -9.877 12.559 -9.023 1.00 0.00 C ATOM 909 CG GLU A 60 -9.538 14.022 -9.285 1.00 0.00 C ATOM 910 CD GLU A 60 -10.641 14.752 -10.026 1.00 0.00 C ATOM 911 OE1 GLU A 60 -11.250 14.147 -10.933 1.00 0.00 O ATOM 912 OE2 GLU A 60 -10.896 15.931 -9.699 1.00 0.00 O ATOM 0 H GLU A 60 -8.317 10.808 -7.967 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.635 11.102 -10.583 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.925 12.394 -9.274 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.770 12.362 -7.956 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.350 14.523 -8.336 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.616 14.080 -9.864 1.00 0.00 H new ATOM 919 N SER A 61 -6.628 11.957 -9.970 1.00 0.00 N ATOM 920 CA SER A 61 -5.415 12.544 -10.530 1.00 0.00 C ATOM 921 C SER A 61 -4.428 11.463 -10.963 1.00 0.00 C ATOM 922 O SER A 61 -3.549 11.081 -10.197 1.00 0.00 O ATOM 923 CB SER A 61 -4.745 13.461 -9.502 1.00 0.00 C ATOM 924 OG SER A 61 -4.113 14.559 -10.134 1.00 0.00 O ATOM 0 H SER A 61 -6.470 11.343 -9.171 1.00 0.00 H new ATOM 0 HA SER A 61 -5.702 13.125 -11.406 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.490 13.824 -8.794 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.010 12.895 -8.929 1.00 0.00 H new ATOM 0 HG SER A 61 -3.834 15.210 -9.457 1.00 0.00 H new ATOM 930 N PRO A 62 -4.545 10.969 -12.207 1.00 0.00 N ATOM 931 CA PRO A 62 -3.642 9.936 -12.728 1.00 0.00 C ATOM 932 C PRO A 62 -2.184 10.388 -12.717 1.00 0.00 C ATOM 933 O PRO A 62 -1.274 9.578 -12.546 1.00 0.00 O ATOM 934 CB PRO A 62 -4.123 9.723 -14.168 1.00 0.00 C ATOM 935 CG PRO A 62 -5.521 10.236 -14.189 1.00 0.00 C ATOM 936 CD PRO A 62 -5.560 11.364 -13.197 1.00 0.00 C ATOM 0 HA PRO A 62 -3.669 9.031 -12.121 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.495 10.261 -14.877 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.085 8.669 -14.445 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.795 10.582 -15.185 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.229 9.453 -13.918 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.319 12.320 -13.663 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.546 11.470 -12.744 1.00 0.00 H new ATOM 944 N GLU A 63 -1.972 11.687 -12.910 1.00 0.00 N ATOM 945 CA GLU A 63 -0.627 12.252 -12.938 1.00 0.00 C ATOM 946 C GLU A 63 -0.054 12.410 -11.532 1.00 0.00 C ATOM 947 O GLU A 63 1.075 11.997 -11.264 1.00 0.00 O ATOM 948 CB GLU A 63 -0.640 13.609 -13.646 1.00 0.00 C ATOM 949 CG GLU A 63 -1.460 13.622 -14.926 1.00 0.00 C ATOM 950 CD GLU A 63 -0.683 13.106 -16.122 1.00 0.00 C ATOM 951 OE1 GLU A 63 -0.144 11.982 -16.041 1.00 0.00 O ATOM 952 OE2 GLU A 63 -0.615 13.825 -17.141 1.00 0.00 O ATOM 0 H GLU A 63 -2.717 12.369 -13.050 1.00 0.00 H new ATOM 0 HA GLU A 63 0.011 11.559 -13.487 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.036 14.361 -12.964 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.385 13.897 -13.879 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.353 13.013 -14.787 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.796 14.639 -15.127 1.00 0.00 H new ATOM 959 N SER A 64 -0.832 13.020 -10.643 1.00 0.00 N ATOM 960 CA SER A 64 -0.383 13.260 -9.275 1.00 0.00 C ATOM 961 C SER A 64 -0.270 11.956 -8.496 1.00 0.00 C ATOM 962 O SER A 64 0.722 11.715 -7.806 1.00 0.00 O ATOM 963 CB SER A 64 -1.352 14.205 -8.558 1.00 0.00 C ATOM 964 OG SER A 64 -1.342 15.492 -9.149 1.00 0.00 O ATOM 0 H SER A 64 -1.774 13.356 -10.844 1.00 0.00 H new ATOM 0 HA SER A 64 0.604 13.720 -9.323 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.360 13.793 -8.595 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.077 14.283 -7.506 1.00 0.00 H new ATOM 0 HG SER A 64 -1.970 16.075 -8.674 1.00 0.00 H new ATOM 970 N LEU A 65 -1.295 11.123 -8.609 1.00 0.00 N ATOM 971 CA LEU A 65 -1.340 9.855 -7.899 1.00 0.00 C ATOM 972 C LEU A 65 -0.177 8.948 -8.285 1.00 0.00 C ATOM 973 O LEU A 65 0.643 8.590 -7.438 1.00 0.00 O ATOM 974 CB LEU A 65 -2.671 9.147 -8.174 1.00 0.00 C ATOM 975 CG LEU A 65 -2.594 7.623 -8.249 1.00 0.00 C ATOM 976 CD1 LEU A 65 -2.251 7.045 -6.886 1.00 0.00 C ATOM 977 CD2 LEU A 65 -3.898 7.048 -8.773 1.00 0.00 C ATOM 0 H LEU A 65 -2.112 11.306 -9.191 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.254 10.069 -6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.378 9.421 -7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.076 9.521 -9.114 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.802 7.347 -8.945 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.199 5.958 -6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.287 7.434 -6.558 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.020 7.327 -6.167 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.824 5.962 -8.819 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.713 7.328 -8.106 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.094 7.441 -9.771 1.00 0.00 H new ATOM 989 N ARG A 66 -0.145 8.528 -9.547 1.00 0.00 N ATOM 990 CA ARG A 66 0.893 7.622 -10.020 1.00 0.00 C ATOM 991 C ARG A 66 2.272 8.122 -9.620 1.00 0.00 C ATOM 992 O ARG A 66 3.188 7.332 -9.407 1.00 0.00 O ATOM 993 CB ARG A 66 0.809 7.454 -11.533 1.00 0.00 C ATOM 994 CG ARG A 66 1.061 6.028 -11.995 1.00 0.00 C ATOM 995 CD ARG A 66 2.094 5.973 -13.108 1.00 0.00 C ATOM 996 NE ARG A 66 3.308 6.709 -12.765 1.00 0.00 N ATOM 997 CZ ARG A 66 3.803 7.699 -13.502 1.00 0.00 C ATOM 998 NH1 ARG A 66 3.191 8.072 -14.618 1.00 0.00 N ATOM 999 NH2 ARG A 66 4.912 8.319 -13.123 1.00 0.00 N ATOM 0 H ARG A 66 -0.825 8.801 -10.257 1.00 0.00 H new ATOM 0 HA ARG A 66 0.732 6.651 -9.552 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.178 7.769 -11.872 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.535 8.115 -12.006 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.402 5.427 -11.152 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.127 5.588 -12.343 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.347 4.934 -13.317 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.665 6.386 -14.021 1.00 0.00 H new ATOM 0 HE ARG A 66 3.804 6.449 -11.912 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.337 7.599 -14.914 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.574 8.832 -15.180 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.386 8.037 -12.265 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.291 9.078 -13.689 1.00 0.00 H new ATOM 1013 N SER A 67 2.401 9.436 -9.490 1.00 0.00 N ATOM 1014 CA SER A 67 3.658 10.041 -9.066 1.00 0.00 C ATOM 1015 C SER A 67 4.020 9.572 -7.660 1.00 0.00 C ATOM 1016 O SER A 67 5.159 9.184 -7.392 1.00 0.00 O ATOM 1017 CB SER A 67 3.551 11.566 -9.096 1.00 0.00 C ATOM 1018 OG SER A 67 4.827 12.170 -8.980 1.00 0.00 O ATOM 0 H SER A 67 1.651 10.103 -9.672 1.00 0.00 H new ATOM 0 HA SER A 67 4.443 9.730 -9.756 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.079 11.882 -10.026 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.910 11.905 -8.282 1.00 0.00 H new ATOM 0 HG SER A 67 4.731 13.145 -9.003 1.00 0.00 H new ATOM 1024 N LYS A 68 3.029 9.585 -6.773 1.00 0.00 N ATOM 1025 CA LYS A 68 3.226 9.151 -5.397 1.00 0.00 C ATOM 1026 C LYS A 68 3.526 7.660 -5.335 1.00 0.00 C ATOM 1027 O LYS A 68 4.596 7.253 -4.883 1.00 0.00 O ATOM 1028 CB LYS A 68 1.983 9.454 -4.559 1.00 0.00 C ATOM 1029 CG LYS A 68 2.058 10.778 -3.817 1.00 0.00 C ATOM 1030 CD LYS A 68 1.227 10.748 -2.546 1.00 0.00 C ATOM 1031 CE LYS A 68 -0.254 10.907 -2.847 1.00 0.00 C ATOM 1032 NZ LYS A 68 -0.590 12.298 -3.255 1.00 0.00 N ATOM 0 H LYS A 68 2.080 9.893 -6.985 1.00 0.00 H new ATOM 0 HA LYS A 68 4.077 9.699 -4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.109 9.461 -5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.837 8.650 -3.837 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.096 11.000 -3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.706 11.581 -4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.394 9.807 -2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.552 11.546 -1.878 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.539 10.217 -3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.835 10.637 -1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.526 12.553 -2.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.124 12.953 -2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.602 12.362 -4.293 1.00 0.00 H new ATOM 1046 N VAL A 69 2.572 6.848 -5.785 1.00 0.00 N ATOM 1047 CA VAL A 69 2.740 5.402 -5.762 1.00 0.00 C ATOM 1048 C VAL A 69 3.981 4.989 -6.549 1.00 0.00 C ATOM 1049 O VAL A 69 4.536 3.914 -6.326 1.00 0.00 O ATOM 1050 CB VAL A 69 1.498 4.662 -6.295 1.00 0.00 C ATOM 1051 CG1 VAL A 69 1.774 3.173 -6.443 1.00 0.00 C ATOM 1052 CG2 VAL A 69 0.315 4.890 -5.368 1.00 0.00 C ATOM 0 H VAL A 69 1.681 7.166 -6.167 1.00 0.00 H new ATOM 0 HA VAL A 69 2.869 5.114 -4.719 1.00 0.00 H new ATOM 0 HB VAL A 69 1.258 5.062 -7.280 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.882 2.673 -6.821 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.597 3.023 -7.142 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.041 2.754 -5.473 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.557 4.362 -5.754 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.555 4.515 -4.373 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.098 5.957 -5.311 1.00 0.00 H new ATOM 1062 N ASP A 70 4.442 5.862 -7.444 1.00 0.00 N ATOM 1063 CA ASP A 70 5.673 5.598 -8.176 1.00 0.00 C ATOM 1064 C ASP A 70 6.794 5.388 -7.174 1.00 0.00 C ATOM 1065 O ASP A 70 7.507 4.383 -7.211 1.00 0.00 O ATOM 1066 CB ASP A 70 6.015 6.761 -9.110 1.00 0.00 C ATOM 1067 CG ASP A 70 7.368 6.594 -9.773 1.00 0.00 C ATOM 1068 OD1 ASP A 70 8.373 7.056 -9.193 1.00 0.00 O ATOM 1069 OD2 ASP A 70 7.422 5.999 -10.870 1.00 0.00 O ATOM 0 H ASP A 70 3.987 6.745 -7.675 1.00 0.00 H new ATOM 0 HA ASP A 70 5.544 4.706 -8.789 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.246 6.845 -9.878 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.004 7.693 -8.544 1.00 0.00 H new ATOM 1074 N GLU A 71 6.888 6.315 -6.227 1.00 0.00 N ATOM 1075 CA GLU A 71 7.853 6.208 -5.148 1.00 0.00 C ATOM 1076 C GLU A 71 7.486 5.034 -4.251 1.00 0.00 C ATOM 1077 O GLU A 71 8.346 4.431 -3.611 1.00 0.00 O ATOM 1078 CB GLU A 71 7.882 7.499 -4.330 1.00 0.00 C ATOM 1079 CG GLU A 71 9.113 7.633 -3.450 1.00 0.00 C ATOM 1080 CD GLU A 71 9.602 9.064 -3.344 1.00 0.00 C ATOM 1081 OE1 GLU A 71 9.085 9.806 -2.481 1.00 0.00 O ATOM 1082 OE2 GLU A 71 10.502 9.443 -4.122 1.00 0.00 O ATOM 0 H GLU A 71 6.304 7.150 -6.188 1.00 0.00 H new ATOM 0 HA GLU A 71 8.843 6.044 -5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.836 8.351 -5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.991 7.543 -3.703 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.885 7.256 -2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.912 7.009 -3.851 1.00 0.00 H new ATOM 1089 N ALA A 72 6.192 4.720 -4.212 1.00 0.00 N ATOM 1090 CA ALA A 72 5.697 3.603 -3.419 1.00 0.00 C ATOM 1091 C ALA A 72 6.216 2.282 -3.972 1.00 0.00 C ATOM 1092 O ALA A 72 6.519 1.359 -3.217 1.00 0.00 O ATOM 1093 CB ALA A 72 4.182 3.611 -3.367 1.00 0.00 C ATOM 0 H ALA A 72 5.469 5.226 -4.722 1.00 0.00 H new ATOM 0 HA ALA A 72 6.069 3.714 -2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.834 2.768 -2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.838 4.542 -2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.783 3.529 -4.378 1.00 0.00 H new ATOM 1099 N VAL A 73 6.317 2.191 -5.297 1.00 0.00 N ATOM 1100 CA VAL A 73 6.878 1.003 -5.923 1.00 0.00 C ATOM 1101 C VAL A 73 8.306 0.831 -5.422 1.00 0.00 C ATOM 1102 O VAL A 73 8.779 -0.285 -5.210 1.00 0.00 O ATOM 1103 CB VAL A 73 6.849 1.096 -7.469 1.00 0.00 C ATOM 1104 CG1 VAL A 73 7.870 0.159 -8.097 1.00 0.00 C ATOM 1105 CG2 VAL A 73 5.447 0.799 -7.997 1.00 0.00 C ATOM 0 H VAL A 73 6.021 2.918 -5.948 1.00 0.00 H new ATOM 0 HA VAL A 73 6.273 0.138 -5.652 1.00 0.00 H new ATOM 0 HB VAL A 73 7.116 2.115 -7.749 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.825 0.247 -9.183 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.869 0.426 -7.752 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.648 -0.868 -7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.445 0.869 -9.085 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.151 -0.206 -7.698 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.743 1.522 -7.586 1.00 0.00 H new ATOM 1115 N ALA A 74 8.955 1.966 -5.165 1.00 0.00 N ATOM 1116 CA ALA A 74 10.290 1.976 -4.587 1.00 0.00 C ATOM 1117 C ALA A 74 10.217 1.604 -3.112 1.00 0.00 C ATOM 1118 O ALA A 74 11.117 0.960 -2.573 1.00 0.00 O ATOM 1119 CB ALA A 74 10.929 3.347 -4.753 1.00 0.00 C ATOM 0 H ALA A 74 8.572 2.893 -5.351 1.00 0.00 H new ATOM 0 HA ALA A 74 10.906 1.243 -5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 74 11.927 3.338 -4.316 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.999 3.590 -5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.319 4.096 -4.249 1.00 0.00 H new ATOM 1125 N VAL A 75 9.127 2.021 -2.468 1.00 0.00 N ATOM 1126 CA VAL A 75 8.890 1.713 -1.063 1.00 0.00 C ATOM 1127 C VAL A 75 8.955 0.209 -0.844 1.00 0.00 C ATOM 1128 O VAL A 75 9.412 -0.266 0.197 1.00 0.00 O ATOM 1129 CB VAL A 75 7.516 2.257 -0.607 1.00 0.00 C ATOM 1130 CG1 VAL A 75 7.037 1.598 0.675 1.00 0.00 C ATOM 1131 CG2 VAL A 75 7.577 3.764 -0.455 1.00 0.00 C ATOM 0 H VAL A 75 8.391 2.577 -2.903 1.00 0.00 H new ATOM 0 HA VAL A 75 9.665 2.196 -0.468 1.00 0.00 H new ATOM 0 HB VAL A 75 6.787 2.009 -1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.069 2.011 0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.941 0.524 0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.757 1.785 1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.605 4.137 -0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.330 4.024 0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.841 4.216 -1.411 1.00 0.00 H new ATOM 1141 N LEU A 76 8.527 -0.533 -1.857 1.00 0.00 N ATOM 1142 CA LEU A 76 8.574 -1.985 -1.821 1.00 0.00 C ATOM 1143 C LEU A 76 10.012 -2.466 -1.933 1.00 0.00 C ATOM 1144 O LEU A 76 10.456 -3.329 -1.175 1.00 0.00 O ATOM 1145 CB LEU A 76 7.741 -2.557 -2.973 1.00 0.00 C ATOM 1146 CG LEU A 76 7.591 -4.082 -2.997 1.00 0.00 C ATOM 1147 CD1 LEU A 76 8.800 -4.734 -3.652 1.00 0.00 C ATOM 1148 CD2 LEU A 76 7.375 -4.633 -1.595 1.00 0.00 C ATOM 0 H LEU A 76 8.141 -0.148 -2.719 1.00 0.00 H new ATOM 0 HA LEU A 76 8.162 -2.330 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.746 -2.114 -2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.192 -2.241 -3.914 1.00 0.00 H new ATOM 0 HG LEU A 76 6.710 -4.322 -3.592 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.671 -5.816 -3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.897 -4.375 -4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.699 -4.479 -3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.272 -5.717 -1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.229 -4.377 -0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.469 -4.200 -1.170 1.00 0.00 H new ATOM 1160 N GLN A 77 10.732 -1.897 -2.893 1.00 0.00 N ATOM 1161 CA GLN A 77 12.125 -2.255 -3.128 1.00 0.00 C ATOM 1162 C GLN A 77 12.994 -1.893 -1.927 1.00 0.00 C ATOM 1163 O GLN A 77 14.061 -2.472 -1.725 1.00 0.00 O ATOM 1164 CB GLN A 77 12.645 -1.548 -4.381 1.00 0.00 C ATOM 1165 CG GLN A 77 12.174 -2.185 -5.678 1.00 0.00 C ATOM 1166 CD GLN A 77 12.964 -3.427 -6.041 1.00 0.00 C ATOM 1167 OE1 GLN A 77 13.881 -3.827 -5.323 1.00 0.00 O ATOM 1168 NE2 GLN A 77 12.611 -4.045 -7.162 1.00 0.00 N ATOM 0 H GLN A 77 10.371 -1.182 -3.524 1.00 0.00 H new ATOM 0 HA GLN A 77 12.178 -3.334 -3.275 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.324 -0.506 -4.360 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.735 -1.546 -4.361 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.119 -2.444 -5.589 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.257 -1.458 -6.486 1.00 0.00 H new ATOM 0 HE21 GLN A 77 11.845 -3.679 -7.727 1.00 0.00 H new ATOM 0 HE22 GLN A 77 13.106 -4.886 -7.458 1.00 0.00 H new ATOM 1177 N ALA A 78 12.532 -0.928 -1.138 1.00 0.00 N ATOM 1178 CA ALA A 78 13.264 -0.491 0.046 1.00 0.00 C ATOM 1179 C ALA A 78 13.020 -1.438 1.214 1.00 0.00 C ATOM 1180 O ALA A 78 13.843 -1.545 2.123 1.00 0.00 O ATOM 1181 CB ALA A 78 12.867 0.928 0.421 1.00 0.00 C ATOM 0 H ALA A 78 11.654 -0.434 -1.297 1.00 0.00 H new ATOM 0 HA ALA A 78 14.329 -0.505 -0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.422 1.239 1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.096 1.600 -0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.798 0.963 0.632 1.00 0.00 H new ATOM 1187 N HIS A 79 11.883 -2.127 1.179 1.00 0.00 N ATOM 1188 CA HIS A 79 11.527 -3.071 2.230 1.00 0.00 C ATOM 1189 C HIS A 79 12.449 -4.284 2.205 1.00 0.00 C ATOM 1190 O HIS A 79 12.888 -4.759 3.249 1.00 0.00 O ATOM 1191 CB HIS A 79 10.071 -3.515 2.070 1.00 0.00 C ATOM 1192 CG HIS A 79 9.655 -4.576 3.042 1.00 0.00 C ATOM 1193 ND1 HIS A 79 9.270 -5.826 2.617 1.00 0.00 N ATOM 1194 CD2 HIS A 79 9.581 -4.526 4.394 1.00 0.00 C ATOM 1195 CE1 HIS A 79 8.972 -6.504 3.711 1.00 0.00 C ATOM 1196 NE2 HIS A 79 9.146 -5.757 4.810 1.00 0.00 N ATOM 0 H HIS A 79 11.192 -2.048 0.432 1.00 0.00 H new ATOM 0 HA HIS A 79 11.643 -2.571 3.191 1.00 0.00 H new ATOM 0 HB2 HIS A 79 9.421 -2.649 2.191 1.00 0.00 H new ATOM 0 HB3 HIS A 79 9.923 -3.886 1.056 1.00 0.00 H new ATOM 0 HD2 HIS A 79 9.819 -3.680 5.022 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.632 -7.529 3.719 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.985 -6.049 5.774 1.00 0.00 H new ATOM 1204 N GLN A 80 12.747 -4.772 1.004 1.00 0.00 N ATOM 1205 CA GLN A 80 13.613 -5.934 0.842 1.00 0.00 C ATOM 1206 C GLN A 80 15.019 -5.654 1.366 1.00 0.00 C ATOM 1207 O GLN A 80 15.810 -6.575 1.570 1.00 0.00 O ATOM 1208 CB GLN A 80 13.679 -6.343 -0.630 1.00 0.00 C ATOM 1209 CG GLN A 80 12.315 -6.598 -1.250 1.00 0.00 C ATOM 1210 CD GLN A 80 12.407 -7.100 -2.678 1.00 0.00 C ATOM 1211 OE1 GLN A 80 11.678 -6.453 -3.579 1.00 0.00 O flip ATOM 1212 NE2 GLN A 80 13.124 -8.057 -2.967 1.00 0.00 N flip ATOM 0 H GLN A 80 12.401 -4.380 0.128 1.00 0.00 H new ATOM 0 HA GLN A 80 13.188 -6.751 1.425 1.00 0.00 H new ATOM 0 HB2 GLN A 80 14.185 -5.560 -1.194 1.00 0.00 H new ATOM 0 HB3 GLN A 80 14.285 -7.244 -0.722 1.00 0.00 H new ATOM 0 HG2 GLN A 80 11.777 -7.329 -0.646 1.00 0.00 H new ATOM 0 HG3 GLN A 80 11.733 -5.677 -1.230 1.00 0.00 H new ATOM 0 HE21 GLN A 80 13.667 -8.525 -2.241 1.00 0.00 H new ATOM 0 HE22 GLN A 80 13.175 -8.383 -3.932 1.00 0.00 H new ATOM 1221 N ALA A 81 15.323 -4.378 1.582 1.00 0.00 N ATOM 1222 CA ALA A 81 16.635 -3.978 2.080 1.00 0.00 C ATOM 1223 C ALA A 81 16.764 -4.255 3.575 1.00 0.00 C ATOM 1224 O ALA A 81 17.699 -4.926 4.013 1.00 0.00 O ATOM 1225 CB ALA A 81 16.882 -2.506 1.792 1.00 0.00 C ATOM 0 H ALA A 81 14.679 -3.604 1.420 1.00 0.00 H new ATOM 0 HA ALA A 81 17.389 -4.570 1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.864 -2.221 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.842 -2.334 0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.117 -1.906 2.284 1.00 0.00 H new ATOM 1231 N LYS A 82 15.825 -3.726 4.355 1.00 0.00 N ATOM 1232 CA LYS A 82 15.837 -3.911 5.801 1.00 0.00 C ATOM 1233 C LYS A 82 15.275 -5.276 6.185 1.00 0.00 C ATOM 1234 O LYS A 82 15.514 -5.769 7.287 1.00 0.00 O ATOM 1235 CB LYS A 82 15.031 -2.802 6.483 1.00 0.00 C ATOM 1236 CG LYS A 82 13.539 -2.864 6.194 1.00 0.00 C ATOM 1237 CD LYS A 82 12.728 -2.950 7.476 1.00 0.00 C ATOM 1238 CE LYS A 82 11.850 -1.723 7.661 1.00 0.00 C ATOM 1239 NZ LYS A 82 10.788 -1.638 6.620 1.00 0.00 N ATOM 0 H LYS A 82 15.046 -3.166 4.009 1.00 0.00 H new ATOM 0 HA LYS A 82 16.872 -3.861 6.139 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.186 -2.862 7.560 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.415 -1.835 6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.239 -1.980 5.631 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.324 -3.729 5.567 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.106 -3.845 7.455 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.401 -3.049 8.328 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.389 -1.752 8.648 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.468 -0.826 7.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.111 -0.890 6.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.220 -1.415 5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.290 -2.549 6.557 1.00 0.00 H new ATOM 1253 N GLU A 83 14.524 -5.880 5.271 1.00 0.00 N ATOM 1254 CA GLU A 83 13.926 -7.189 5.511 1.00 0.00 C ATOM 1255 C GLU A 83 14.978 -8.289 5.407 1.00 0.00 C ATOM 1256 O GLU A 83 15.064 -9.164 6.269 1.00 0.00 O ATOM 1257 CB GLU A 83 12.781 -7.435 4.516 1.00 0.00 C ATOM 1258 CG GLU A 83 12.782 -8.819 3.881 1.00 0.00 C ATOM 1259 CD GLU A 83 12.257 -9.890 4.817 1.00 0.00 C ATOM 1260 OE1 GLU A 83 11.125 -9.733 5.323 1.00 0.00 O ATOM 1261 OE2 GLU A 83 12.975 -10.885 5.043 1.00 0.00 O ATOM 0 H GLU A 83 14.314 -5.483 4.355 1.00 0.00 H new ATOM 0 HA GLU A 83 13.519 -7.207 6.522 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.832 -7.286 5.030 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.836 -6.687 3.726 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.173 -8.801 2.978 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.797 -9.074 3.576 1.00 0.00 H new ATOM 1268 N ALA A 84 15.779 -8.233 4.349 1.00 0.00 N ATOM 1269 CA ALA A 84 16.829 -9.222 4.129 1.00 0.00 C ATOM 1270 C ALA A 84 17.900 -9.134 5.211 1.00 0.00 C ATOM 1271 O ALA A 84 18.731 -10.033 5.350 1.00 0.00 O ATOM 1272 CB ALA A 84 17.450 -9.038 2.752 1.00 0.00 C ATOM 0 H ALA A 84 15.722 -7.513 3.629 1.00 0.00 H new ATOM 0 HA ALA A 84 16.377 -10.213 4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 84 18.232 -9.783 2.603 1.00 0.00 H new ATOM 0 HB2 ALA A 84 16.682 -9.159 1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 84 17.881 -8.040 2.678 1.00 0.00 H new ATOM 1278 N ALA A 85 17.874 -8.046 5.976 1.00 0.00 N ATOM 1279 CA ALA A 85 18.841 -7.843 7.049 1.00 0.00 C ATOM 1280 C ALA A 85 18.525 -8.734 8.244 1.00 0.00 C ATOM 1281 O ALA A 85 19.357 -8.916 9.134 1.00 0.00 O ATOM 1282 CB ALA A 85 18.864 -6.381 7.468 1.00 0.00 C ATOM 0 H ALA A 85 17.194 -7.293 5.872 1.00 0.00 H new ATOM 0 HA ALA A 85 19.828 -8.117 6.675 1.00 0.00 H new ATOM 0 HB1 ALA A 85 19.590 -6.244 8.269 1.00 0.00 H new ATOM 0 HB2 ALA A 85 19.144 -5.762 6.615 1.00 0.00 H new ATOM 0 HB3 ALA A 85 17.875 -6.088 7.820 1.00 0.00 H new ATOM 1288 N GLN A 86 17.318 -9.291 8.257 1.00 0.00 N ATOM 1289 CA GLN A 86 16.890 -10.169 9.341 1.00 0.00 C ATOM 1290 C GLN A 86 17.507 -11.555 9.191 1.00 0.00 C ATOM 1291 O GLN A 86 18.171 -12.051 10.101 1.00 0.00 O ATOM 1292 CB GLN A 86 15.364 -10.276 9.364 1.00 0.00 C ATOM 1293 CG GLN A 86 14.695 -9.255 10.270 1.00 0.00 C ATOM 1294 CD GLN A 86 14.524 -9.757 11.690 1.00 0.00 C ATOM 1295 OE1 GLN A 86 15.465 -9.743 12.483 1.00 0.00 O ATOM 1296 NE2 GLN A 86 13.318 -10.206 12.017 1.00 0.00 N ATOM 0 H GLN A 86 16.618 -9.150 7.528 1.00 0.00 H new ATOM 0 HA GLN A 86 17.231 -9.739 10.283 1.00 0.00 H new ATOM 0 HB2 GLN A 86 14.984 -10.153 8.350 1.00 0.00 H new ATOM 0 HB3 GLN A 86 15.083 -11.278 9.690 1.00 0.00 H new ATOM 0 HG2 GLN A 86 15.289 -8.341 10.281 1.00 0.00 H new ATOM 0 HG3 GLN A 86 13.719 -8.996 9.860 1.00 0.00 H new ATOM 0 HE21 GLN A 86 12.567 -10.199 11.327 1.00 0.00 H new ATOM 0 HE22 GLN A 86 13.143 -10.558 12.958 1.00 0.00 H new ATOM 1305 N LYS A 87 17.284 -12.174 8.035 1.00 0.00 N ATOM 1306 CA LYS A 87 17.819 -13.503 7.763 1.00 0.00 C ATOM 1307 C LYS A 87 19.278 -13.422 7.325 1.00 0.00 C ATOM 1308 O LYS A 87 20.182 -13.786 8.078 1.00 0.00 O ATOM 1309 CB LYS A 87 16.988 -14.199 6.684 1.00 0.00 C ATOM 1310 CG LYS A 87 16.476 -15.570 7.098 1.00 0.00 C ATOM 1311 CD LYS A 87 14.957 -15.623 7.094 1.00 0.00 C ATOM 1312 CE LYS A 87 14.443 -16.936 7.663 1.00 0.00 C ATOM 1313 NZ LYS A 87 13.239 -16.738 8.518 1.00 0.00 N ATOM 0 H LYS A 87 16.736 -11.776 7.272 1.00 0.00 H new ATOM 0 HA LYS A 87 17.766 -14.085 8.683 1.00 0.00 H new ATOM 0 HB2 LYS A 87 16.139 -13.566 6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 87 17.592 -14.303 5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.869 -16.326 6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.847 -15.812 8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.562 -14.792 7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.590 -15.499 6.075 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.200 -17.615 6.846 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.230 -17.411 8.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.920 -17.657 8.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.477 -16.110 9.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.479 -16.309 7.953 1.00 0.00 H new ATOM 1327 N ALA A 88 19.500 -12.940 6.107 1.00 0.00 N ATOM 1328 CA ALA A 88 20.850 -12.810 5.570 1.00 0.00 C ATOM 1329 C ALA A 88 21.583 -11.634 6.207 1.00 0.00 C ATOM 1330 O ALA A 88 21.476 -10.498 5.744 1.00 0.00 O ATOM 1331 CB ALA A 88 20.805 -12.652 4.058 1.00 0.00 C ATOM 0 H ALA A 88 18.763 -12.633 5.473 1.00 0.00 H new ATOM 0 HA ALA A 88 21.399 -13.720 5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 88 21.820 -12.556 3.672 1.00 0.00 H new ATOM 0 HB2 ALA A 88 20.329 -13.527 3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 88 20.234 -11.760 3.802 1.00 0.00 H new ATOM 1337 N VAL A 89 22.328 -11.915 7.272 1.00 0.00 N ATOM 1338 CA VAL A 89 23.080 -10.882 7.974 1.00 0.00 C ATOM 1339 C VAL A 89 24.505 -10.780 7.436 1.00 0.00 C ATOM 1340 O VAL A 89 25.359 -11.606 7.758 1.00 0.00 O ATOM 1341 CB VAL A 89 23.135 -11.154 9.489 1.00 0.00 C ATOM 1342 CG1 VAL A 89 23.584 -9.909 10.240 1.00 0.00 C ATOM 1343 CG2 VAL A 89 21.783 -11.633 9.997 1.00 0.00 C ATOM 0 H VAL A 89 22.427 -12.850 7.667 1.00 0.00 H new ATOM 0 HA VAL A 89 22.558 -9.941 7.802 1.00 0.00 H new ATOM 0 HB VAL A 89 23.865 -11.943 9.670 1.00 0.00 H new ATOM 0 HG11 VAL A 89 23.617 -10.121 11.309 1.00 0.00 H new ATOM 0 HG12 VAL A 89 24.576 -9.616 9.898 1.00 0.00 H new ATOM 0 HG13 VAL A 89 22.881 -9.097 10.052 1.00 0.00 H new ATOM 0 HG21 VAL A 89 21.843 -11.820 11.069 1.00 0.00 H new ATOM 0 HG22 VAL A 89 21.030 -10.869 9.803 1.00 0.00 H new ATOM 0 HG23 VAL A 89 21.507 -12.554 9.483 1.00 0.00 H new ATOM 1353 N ASN A 90 24.752 -9.765 6.615 1.00 0.00 N ATOM 1354 CA ASN A 90 26.073 -9.557 6.032 1.00 0.00 C ATOM 1355 C ASN A 90 26.828 -8.459 6.776 1.00 0.00 C ATOM 1356 O ASN A 90 26.948 -7.333 6.291 1.00 0.00 O ATOM 1357 CB ASN A 90 25.951 -9.196 4.549 1.00 0.00 C ATOM 1358 CG ASN A 90 24.511 -9.136 4.082 1.00 0.00 C ATOM 1359 OD1 ASN A 90 23.871 -10.166 3.869 1.00 0.00 O ATOM 1360 ND2 ASN A 90 23.991 -7.924 3.920 1.00 0.00 N ATOM 0 H ASN A 90 24.055 -9.074 6.338 1.00 0.00 H new ATOM 0 HA ASN A 90 26.634 -10.487 6.125 1.00 0.00 H new ATOM 0 HB2 ASN A 90 26.427 -8.231 4.373 1.00 0.00 H new ATOM 0 HB3 ASN A 90 26.492 -9.932 3.954 1.00 0.00 H new ATOM 0 HD21 ASN A 90 23.025 -7.821 3.608 1.00 0.00 H new ATOM 0 HD22 ASN A 90 24.557 -7.097 4.108 1.00 0.00 H new ATOM 1367 N SER A 91 27.336 -8.795 7.958 1.00 0.00 N ATOM 1368 CA SER A 91 28.080 -7.839 8.771 1.00 0.00 C ATOM 1369 C SER A 91 29.510 -7.686 8.262 1.00 0.00 C ATOM 1370 O SER A 91 29.903 -8.327 7.286 1.00 0.00 O ATOM 1371 CB SER A 91 28.095 -8.287 10.234 1.00 0.00 C ATOM 1372 OG SER A 91 27.522 -9.575 10.379 1.00 0.00 O ATOM 0 H SER A 91 27.246 -9.722 8.374 1.00 0.00 H new ATOM 0 HA SER A 91 27.582 -6.872 8.697 1.00 0.00 H new ATOM 0 HB2 SER A 91 29.120 -8.298 10.604 1.00 0.00 H new ATOM 0 HB3 SER A 91 27.544 -7.570 10.843 1.00 0.00 H new ATOM 0 HG SER A 91 27.545 -9.839 11.322 1.00 0.00 H new ATOM 1378 N ALA A 92 30.283 -6.834 8.928 1.00 0.00 N ATOM 1379 CA ALA A 92 31.669 -6.596 8.541 1.00 0.00 C ATOM 1380 C ALA A 92 32.571 -7.731 9.015 1.00 0.00 C ATOM 1381 O ALA A 92 33.101 -7.694 10.126 1.00 0.00 O ATOM 1382 CB ALA A 92 32.153 -5.266 9.097 1.00 0.00 C ATOM 0 H ALA A 92 29.973 -6.297 9.738 1.00 0.00 H new ATOM 0 HA ALA A 92 31.716 -6.558 7.453 1.00 0.00 H new ATOM 0 HB1 ALA A 92 33.189 -5.103 8.800 1.00 0.00 H new ATOM 0 HB2 ALA A 92 31.532 -4.460 8.706 1.00 0.00 H new ATOM 0 HB3 ALA A 92 32.086 -5.280 10.185 1.00 0.00 H new ATOM 1388 N THR A 93 32.741 -8.739 8.165 1.00 0.00 N ATOM 1389 CA THR A 93 33.581 -9.885 8.496 1.00 0.00 C ATOM 1390 C THR A 93 34.975 -9.730 7.895 1.00 0.00 C ATOM 1391 O THR A 93 35.274 -8.725 7.251 1.00 0.00 O ATOM 1392 CB THR A 93 32.936 -11.178 7.992 1.00 0.00 C ATOM 1393 OG1 THR A 93 32.513 -11.036 6.647 1.00 0.00 O ATOM 1394 CG2 THR A 93 31.737 -11.608 8.808 1.00 0.00 C ATOM 0 H THR A 93 32.309 -8.786 7.242 1.00 0.00 H new ATOM 0 HA THR A 93 33.677 -9.933 9.581 1.00 0.00 H new ATOM 0 HB THR A 93 33.709 -11.941 8.085 1.00 0.00 H new ATOM 0 HG1 THR A 93 32.105 -11.873 6.342 1.00 0.00 H new ATOM 0 HG21 THR A 93 31.329 -12.531 8.396 1.00 0.00 H new ATOM 0 HG22 THR A 93 32.041 -11.775 9.841 1.00 0.00 H new ATOM 0 HG23 THR A 93 30.976 -10.828 8.775 1.00 0.00 H new ATOM 1402 N GLY A 94 35.822 -10.730 8.112 1.00 0.00 N ATOM 1403 CA GLY A 94 37.174 -10.687 7.585 1.00 0.00 C ATOM 1404 C GLY A 94 37.250 -11.157 6.146 1.00 0.00 C ATOM 1405 O GLY A 94 37.598 -12.307 5.878 1.00 0.00 O ATOM 0 H GLY A 94 35.597 -11.571 8.644 1.00 0.00 H new ATOM 0 HA2 GLY A 94 37.555 -9.668 7.652 1.00 0.00 H new ATOM 0 HA3 GLY A 94 37.821 -11.310 8.202 1.00 0.00 H new ATOM 1409 N VAL A 95 36.922 -10.265 5.216 1.00 0.00 N ATOM 1410 CA VAL A 95 36.952 -10.593 3.795 1.00 0.00 C ATOM 1411 C VAL A 95 38.166 -9.967 3.111 1.00 0.00 C ATOM 1412 O VAL A 95 38.261 -8.744 2.997 1.00 0.00 O ATOM 1413 CB VAL A 95 35.672 -10.122 3.077 1.00 0.00 C ATOM 1414 CG1 VAL A 95 35.423 -10.958 1.829 1.00 0.00 C ATOM 1415 CG2 VAL A 95 34.475 -10.184 4.014 1.00 0.00 C ATOM 0 H VAL A 95 36.632 -9.309 5.421 1.00 0.00 H new ATOM 0 HA VAL A 95 37.017 -11.679 3.725 1.00 0.00 H new ATOM 0 HB VAL A 95 35.811 -9.084 2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 95 34.515 -10.612 1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 95 36.268 -10.857 1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 95 35.307 -12.005 2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 95 33.582 -9.847 3.487 1.00 0.00 H new ATOM 0 HG22 VAL A 95 34.331 -11.210 4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 95 34.653 -9.539 4.875 1.00 0.00 H new ATOM 1425 N PRO A 96 39.115 -10.798 2.639 1.00 0.00 N ATOM 1426 CA PRO A 96 40.327 -10.317 1.966 1.00 0.00 C ATOM 1427 C PRO A 96 40.008 -9.511 0.710 1.00 0.00 C ATOM 1428 O PRO A 96 38.874 -9.512 0.232 1.00 0.00 O ATOM 1429 CB PRO A 96 41.078 -11.601 1.597 1.00 0.00 C ATOM 1430 CG PRO A 96 40.521 -12.649 2.499 1.00 0.00 C ATOM 1431 CD PRO A 96 39.088 -12.269 2.733 1.00 0.00 C ATOM 0 HA PRO A 96 40.901 -9.645 2.604 1.00 0.00 H new ATOM 0 HB2 PRO A 96 40.925 -11.860 0.549 1.00 0.00 H new ATOM 0 HB3 PRO A 96 42.152 -11.485 1.743 1.00 0.00 H new ATOM 0 HG2 PRO A 96 40.594 -13.636 2.043 1.00 0.00 H new ATOM 0 HG3 PRO A 96 41.073 -12.690 3.438 1.00 0.00 H new ATOM 0 HD2 PRO A 96 38.427 -12.709 1.986 1.00 0.00 H new ATOM 0 HD3 PRO A 96 38.736 -12.605 3.708 1.00 0.00 H new ATOM 1439 N THR A 97 41.019 -8.830 0.179 1.00 0.00 N ATOM 1440 CA THR A 97 40.849 -8.023 -1.024 1.00 0.00 C ATOM 1441 C THR A 97 41.150 -8.842 -2.274 1.00 0.00 C ATOM 1442 O THR A 97 42.019 -9.714 -2.261 1.00 0.00 O ATOM 1443 CB THR A 97 41.759 -6.795 -0.973 1.00 0.00 C ATOM 1444 OG1 THR A 97 43.066 -7.158 -0.561 1.00 0.00 O ATOM 1445 CG2 THR A 97 41.262 -5.719 -0.034 1.00 0.00 C ATOM 0 H THR A 97 41.964 -8.821 0.563 1.00 0.00 H new ATOM 0 HA THR A 97 39.811 -7.695 -1.068 1.00 0.00 H new ATOM 0 HB THR A 97 41.761 -6.394 -1.987 1.00 0.00 H new ATOM 0 HG1 THR A 97 43.634 -6.360 -0.536 1.00 0.00 H new ATOM 0 HG21 THR A 97 41.954 -4.877 -0.046 1.00 0.00 H new ATOM 0 HG22 THR A 97 40.276 -5.383 -0.355 1.00 0.00 H new ATOM 0 HG23 THR A 97 41.197 -6.120 0.977 1.00 0.00 H new ATOM 1453 N VAL A 98 40.428 -8.556 -3.352 1.00 0.00 N ATOM 1454 CA VAL A 98 40.614 -9.269 -4.611 1.00 0.00 C ATOM 1455 C VAL A 98 41.110 -8.330 -5.705 1.00 0.00 C ATOM 1456 O VAL A 98 42.153 -8.641 -6.317 1.00 0.00 O ATOM 1457 CB VAL A 98 39.309 -9.942 -5.081 1.00 0.00 C ATOM 1458 CG1 VAL A 98 39.616 -11.180 -5.909 1.00 0.00 C ATOM 1459 CG2 VAL A 98 38.425 -10.292 -3.893 1.00 0.00 C ATOM 1460 OXT VAL A 98 40.375 -7.378 -6.040 1.00 0.00 O ATOM 0 H VAL A 98 39.708 -7.834 -3.379 1.00 0.00 H new ATOM 0 HA VAL A 98 41.362 -10.040 -4.427 1.00 0.00 H new ATOM 0 HB VAL A 98 38.766 -9.236 -5.710 1.00 0.00 H new ATOM 0 HG11 VAL A 98 38.683 -11.642 -6.232 1.00 0.00 H new ATOM 0 HG12 VAL A 98 40.203 -10.897 -6.783 1.00 0.00 H new ATOM 0 HG13 VAL A 98 40.183 -11.890 -5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 98 37.510 -10.766 -4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 98 38.957 -10.978 -3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 98 38.175 -9.383 -3.346 1.00 0.00 H new TER 1470 VAL A 98 ATOM 1471 N VAL B 1 14.929 3.521 13.195 1.00 0.00 N ATOM 1472 CA VAL B 1 14.214 4.820 13.089 1.00 0.00 C ATOM 1473 C VAL B 1 14.293 5.370 11.665 1.00 0.00 C ATOM 1474 O VAL B 1 14.098 6.562 11.430 1.00 0.00 O ATOM 1475 CB VAL B 1 14.788 5.855 14.082 1.00 0.00 C ATOM 1476 CG1 VAL B 1 16.147 6.359 13.616 1.00 0.00 C ATOM 1477 CG2 VAL B 1 13.817 7.011 14.281 1.00 0.00 C ATOM 0 H1 VAL B 1 15.054 3.274 14.198 1.00 0.00 H new ATOM 0 H2 VAL B 1 14.373 2.779 12.723 1.00 0.00 H new ATOM 0 H3 VAL B 1 15.860 3.599 12.739 1.00 0.00 H new ATOM 0 HA VAL B 1 13.169 4.640 13.340 1.00 0.00 H new ATOM 0 HB VAL B 1 14.925 5.361 15.044 1.00 0.00 H new ATOM 0 HG11 VAL B 1 16.530 7.086 14.332 1.00 0.00 H new ATOM 0 HG12 VAL B 1 16.840 5.521 13.544 1.00 0.00 H new ATOM 0 HG13 VAL B 1 16.045 6.831 12.639 1.00 0.00 H new ATOM 0 HG21 VAL B 1 14.243 7.727 14.984 1.00 0.00 H new ATOM 0 HG22 VAL B 1 13.637 7.504 13.326 1.00 0.00 H new ATOM 0 HG23 VAL B 1 12.875 6.631 14.676 1.00 0.00 H new ATOM 1489 N VAL B 2 14.565 4.481 10.716 1.00 0.00 N ATOM 1490 CA VAL B 2 14.669 4.865 9.313 1.00 0.00 C ATOM 1491 C VAL B 2 13.295 4.904 8.650 1.00 0.00 C ATOM 1492 O VAL B 2 12.480 3.998 8.830 1.00 0.00 O ATOM 1493 CB VAL B 2 15.585 3.900 8.533 1.00 0.00 C ATOM 1494 CG1 VAL B 2 15.110 2.463 8.696 1.00 0.00 C ATOM 1495 CG2 VAL B 2 15.649 4.288 7.063 1.00 0.00 C ATOM 0 H VAL B 2 14.718 3.488 10.893 1.00 0.00 H new ATOM 0 HA VAL B 2 15.106 5.863 9.288 1.00 0.00 H new ATOM 0 HB VAL B 2 16.592 3.974 8.945 1.00 0.00 H new ATOM 0 HG11 VAL B 2 15.768 1.797 8.139 1.00 0.00 H new ATOM 0 HG12 VAL B 2 15.128 2.191 9.751 1.00 0.00 H new ATOM 0 HG13 VAL B 2 14.093 2.370 8.315 1.00 0.00 H new ATOM 0 HG21 VAL B 2 16.300 3.594 6.532 1.00 0.00 H new ATOM 0 HG22 VAL B 2 14.648 4.248 6.632 1.00 0.00 H new ATOM 0 HG23 VAL B 2 16.044 5.300 6.971 1.00 0.00 H new ATOM 1505 N LYS B 3 13.039 5.969 7.896 1.00 0.00 N ATOM 1506 CA LYS B 3 11.764 6.132 7.206 1.00 0.00 C ATOM 1507 C LYS B 3 11.859 5.657 5.760 1.00 0.00 C ATOM 1508 O LYS B 3 12.946 5.349 5.268 1.00 0.00 O ATOM 1509 CB LYS B 3 11.322 7.596 7.247 1.00 0.00 C ATOM 1510 CG LYS B 3 12.369 8.563 6.719 1.00 0.00 C ATOM 1511 CD LYS B 3 11.732 9.838 6.188 1.00 0.00 C ATOM 1512 CE LYS B 3 12.390 10.292 4.895 1.00 0.00 C ATOM 1513 NZ LYS B 3 11.386 10.588 3.836 1.00 0.00 N ATOM 0 H LYS B 3 13.699 6.733 7.747 1.00 0.00 H new ATOM 0 HA LYS B 3 11.022 5.520 7.720 1.00 0.00 H new ATOM 0 HB2 LYS B 3 10.409 7.708 6.662 1.00 0.00 H new ATOM 0 HB3 LYS B 3 11.077 7.864 8.275 1.00 0.00 H new ATOM 0 HG2 LYS B 3 13.072 8.810 7.515 1.00 0.00 H new ATOM 0 HG3 LYS B 3 12.942 8.083 5.925 1.00 0.00 H new ATOM 0 HD2 LYS B 3 10.668 9.671 6.017 1.00 0.00 H new ATOM 0 HD3 LYS B 3 11.815 10.626 6.936 1.00 0.00 H new ATOM 0 HE2 LYS B 3 12.990 11.182 5.086 1.00 0.00 H new ATOM 0 HE3 LYS B 3 13.072 9.518 4.543 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 11.874 10.894 2.970 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 10.830 9.732 3.636 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 10.751 11.345 4.161 1.00 0.00 H new ATOM 1527 N SER B 4 10.716 5.608 5.080 1.00 0.00 N ATOM 1528 CA SER B 4 10.671 5.182 3.686 1.00 0.00 C ATOM 1529 C SER B 4 11.011 6.346 2.757 1.00 0.00 C ATOM 1530 O SER B 4 11.772 7.242 3.126 1.00 0.00 O ATOM 1531 CB SER B 4 9.290 4.611 3.349 1.00 0.00 C ATOM 1532 OG SER B 4 9.348 3.780 2.202 1.00 0.00 O ATOM 0 H SER B 4 9.809 5.858 5.473 1.00 0.00 H new ATOM 0 HA SER B 4 11.415 4.399 3.539 1.00 0.00 H new ATOM 0 HB2 SER B 4 8.912 4.040 4.197 1.00 0.00 H new ATOM 0 HB3 SER B 4 8.588 5.427 3.176 1.00 0.00 H new ATOM 0 HG SER B 4 9.374 2.841 2.480 1.00 0.00 H new ATOM 1538 N ASN B 5 10.449 6.332 1.551 1.00 0.00 N ATOM 1539 CA ASN B 5 10.709 7.385 0.577 1.00 0.00 C ATOM 1540 C ASN B 5 9.525 8.344 0.481 1.00 0.00 C ATOM 1541 O ASN B 5 9.654 9.532 0.777 1.00 0.00 O ATOM 1542 CB ASN B 5 11.005 6.777 -0.795 1.00 0.00 C ATOM 1543 CG ASN B 5 12.437 6.297 -0.918 1.00 0.00 C ATOM 1544 OD1 ASN B 5 13.382 7.150 -0.537 1.00 0.00 O flip ATOM 1545 ND2 ASN B 5 12.693 5.173 -1.352 1.00 0.00 N flip ATOM 0 H ASN B 5 9.812 5.604 1.227 1.00 0.00 H new ATOM 0 HA ASN B 5 11.580 7.948 0.911 1.00 0.00 H new ATOM 0 HB2 ASN B 5 10.328 5.941 -0.973 1.00 0.00 H new ATOM 0 HB3 ASN B 5 10.806 7.519 -1.569 1.00 0.00 H new ATOM 0 HD21 ASN B 5 11.936 4.550 -1.633 1.00 0.00 H new ATOM 0 HD22 ASN B 5 13.662 4.865 -1.430 1.00 0.00 H new ATOM 1552 N LEU B 6 8.373 7.822 0.071 1.00 0.00 N ATOM 1553 CA LEU B 6 7.168 8.633 -0.047 1.00 0.00 C ATOM 1554 C LEU B 6 6.630 8.990 1.336 1.00 0.00 C ATOM 1555 O LEU B 6 6.926 10.059 1.869 1.00 0.00 O ATOM 1556 CB LEU B 6 6.109 7.879 -0.849 1.00 0.00 C ATOM 1557 CG LEU B 6 4.893 8.704 -1.272 1.00 0.00 C ATOM 1558 CD1 LEU B 6 5.309 9.861 -2.167 1.00 0.00 C ATOM 1559 CD2 LEU B 6 3.885 7.816 -1.980 1.00 0.00 C ATOM 0 H LEU B 6 8.249 6.842 -0.185 1.00 0.00 H new ATOM 0 HA LEU B 6 7.416 9.557 -0.570 1.00 0.00 H new ATOM 0 HB2 LEU B 6 6.578 7.471 -1.744 1.00 0.00 H new ATOM 0 HB3 LEU B 6 5.763 7.032 -0.256 1.00 0.00 H new ATOM 0 HG LEU B 6 4.428 9.121 -0.379 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.427 10.433 -2.455 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.001 10.508 -1.628 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.797 9.472 -3.061 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.022 8.411 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.346 7.376 -2.865 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.563 7.022 -1.306 1.00 0.00 H new ATOM 1571 N ASN B 7 5.860 8.078 1.921 1.00 0.00 N ATOM 1572 CA ASN B 7 5.318 8.283 3.258 1.00 0.00 C ATOM 1573 C ASN B 7 6.352 7.905 4.310 1.00 0.00 C ATOM 1574 O ASN B 7 6.903 6.804 4.274 1.00 0.00 O ATOM 1575 CB ASN B 7 4.065 7.437 3.467 1.00 0.00 C ATOM 1576 CG ASN B 7 3.033 8.132 4.331 1.00 0.00 C ATOM 1577 OD1 ASN B 7 3.115 7.912 5.638 1.00 0.00 O flip ATOM 1578 ND2 ASN B 7 2.171 8.854 3.832 1.00 0.00 N flip ATOM 0 H ASN B 7 5.598 7.191 1.490 1.00 0.00 H new ATOM 0 HA ASN B 7 5.061 9.337 3.358 1.00 0.00 H new ATOM 0 HB2 ASN B 7 3.624 7.201 2.498 1.00 0.00 H new ATOM 0 HB3 ASN B 7 4.343 6.490 3.930 1.00 0.00 H new ATOM 0 HD21 ASN B 7 2.146 8.995 2.822 1.00 0.00 H new ATOM 0 HD22 ASN B 7 1.482 9.312 4.428 1.00 0.00 H new ATOM 1585 N PRO B 8 6.614 8.791 5.283 1.00 0.00 N ATOM 1586 CA PRO B 8 7.584 8.521 6.340 1.00 0.00 C ATOM 1587 C PRO B 8 7.054 7.518 7.359 1.00 0.00 C ATOM 1588 O PRO B 8 7.703 7.241 8.367 1.00 0.00 O ATOM 1589 CB PRO B 8 7.808 9.891 7.002 1.00 0.00 C ATOM 1590 CG PRO B 8 7.101 10.884 6.135 1.00 0.00 C ATOM 1591 CD PRO B 8 6.020 10.124 5.424 1.00 0.00 C ATOM 0 HA PRO B 8 8.499 8.080 5.944 1.00 0.00 H new ATOM 0 HB2 PRO B 8 7.410 9.905 8.017 1.00 0.00 H new ATOM 0 HB3 PRO B 8 8.871 10.121 7.074 1.00 0.00 H new ATOM 0 HG2 PRO B 8 6.680 11.692 6.733 1.00 0.00 H new ATOM 0 HG3 PRO B 8 7.790 11.339 5.423 1.00 0.00 H new ATOM 0 HD2 PRO B 8 5.095 10.098 6.000 1.00 0.00 H new ATOM 0 HD3 PRO B 8 5.781 10.567 4.457 1.00 0.00 H new ATOM 1599 N ASN B 9 5.863 6.988 7.093 1.00 0.00 N ATOM 1600 CA ASN B 9 5.240 6.021 7.989 1.00 0.00 C ATOM 1601 C ASN B 9 4.907 4.723 7.259 1.00 0.00 C ATOM 1602 O ASN B 9 3.862 4.120 7.499 1.00 0.00 O ATOM 1603 CB ASN B 9 3.972 6.613 8.606 1.00 0.00 C ATOM 1604 CG ASN B 9 4.220 7.956 9.265 1.00 0.00 C ATOM 1605 OD1 ASN B 9 3.499 8.923 9.022 1.00 0.00 O ATOM 1606 ND2 ASN B 9 5.244 8.021 10.107 1.00 0.00 N ATOM 0 H ASN B 9 5.311 7.212 6.265 1.00 0.00 H new ATOM 0 HA ASN B 9 5.953 5.792 8.781 1.00 0.00 H new ATOM 0 HB2 ASN B 9 3.214 6.726 7.831 1.00 0.00 H new ATOM 0 HB3 ASN B 9 3.572 5.918 9.344 1.00 0.00 H new ATOM 0 HD21 ASN B 9 5.459 8.898 10.582 1.00 0.00 H new ATOM 0 HD22 ASN B 9 5.816 7.194 10.279 1.00 0.00 H new ATOM 1613 N ALA B 10 5.783 4.315 6.345 1.00 0.00 N ATOM 1614 CA ALA B 10 5.583 3.079 5.591 1.00 0.00 C ATOM 1615 C ALA B 10 5.520 1.867 6.526 1.00 0.00 C ATOM 1616 O ALA B 10 6.537 1.224 6.788 1.00 0.00 O ATOM 1617 CB ALA B 10 6.689 2.904 4.556 1.00 0.00 C ATOM 0 H ALA B 10 6.637 4.820 6.108 1.00 0.00 H new ATOM 0 HA ALA B 10 4.628 3.149 5.071 1.00 0.00 H new ATOM 0 HB1 ALA B 10 6.526 1.979 4.003 1.00 0.00 H new ATOM 0 HB2 ALA B 10 6.678 3.747 3.865 1.00 0.00 H new ATOM 0 HB3 ALA B 10 7.655 2.860 5.059 1.00 0.00 H new ATOM 1623 N LYS B 11 4.322 1.560 7.025 1.00 0.00 N ATOM 1624 CA LYS B 11 4.131 0.422 7.927 1.00 0.00 C ATOM 1625 C LYS B 11 3.222 -0.628 7.296 1.00 0.00 C ATOM 1626 O LYS B 11 2.723 -0.441 6.192 1.00 0.00 O ATOM 1627 CB LYS B 11 3.531 0.884 9.258 1.00 0.00 C ATOM 1628 CG LYS B 11 4.000 2.259 9.700 1.00 0.00 C ATOM 1629 CD LYS B 11 4.769 2.190 11.010 1.00 0.00 C ATOM 1630 CE LYS B 11 4.809 3.542 11.705 1.00 0.00 C ATOM 1631 NZ LYS B 11 3.497 3.894 12.314 1.00 0.00 N ATOM 0 H LYS B 11 3.470 2.082 6.821 1.00 0.00 H new ATOM 0 HA LYS B 11 5.109 -0.023 8.110 1.00 0.00 H new ATOM 0 HB2 LYS B 11 2.444 0.892 9.172 1.00 0.00 H new ATOM 0 HB3 LYS B 11 3.785 0.159 10.031 1.00 0.00 H new ATOM 0 HG2 LYS B 11 4.634 2.694 8.927 1.00 0.00 H new ATOM 0 HG3 LYS B 11 3.140 2.918 9.816 1.00 0.00 H new ATOM 0 HD2 LYS B 11 4.304 1.455 11.668 1.00 0.00 H new ATOM 0 HD3 LYS B 11 5.786 1.848 10.818 1.00 0.00 H new ATOM 0 HE2 LYS B 11 5.576 3.529 12.479 1.00 0.00 H new ATOM 0 HE3 LYS B 11 5.093 4.311 10.987 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 3.608 4.734 12.917 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 2.808 4.097 11.562 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 3.156 3.097 12.889 1.00 0.00 H new ATOM 1645 N GLU B 12 3.008 -1.733 8.004 1.00 0.00 N ATOM 1646 CA GLU B 12 2.152 -2.805 7.505 1.00 0.00 C ATOM 1647 C GLU B 12 0.690 -2.360 7.449 1.00 0.00 C ATOM 1648 O GLU B 12 0.292 -1.420 8.137 1.00 0.00 O ATOM 1649 CB GLU B 12 2.289 -4.047 8.386 1.00 0.00 C ATOM 1650 CG GLU B 12 2.798 -5.269 7.637 1.00 0.00 C ATOM 1651 CD GLU B 12 4.057 -5.847 8.254 1.00 0.00 C ATOM 1652 OE1 GLU B 12 5.154 -5.321 7.970 1.00 0.00 O ATOM 1653 OE2 GLU B 12 3.945 -6.828 9.020 1.00 0.00 O ATOM 0 H GLU B 12 3.414 -1.910 8.923 1.00 0.00 H new ATOM 0 HA GLU B 12 2.474 -3.050 6.493 1.00 0.00 H new ATOM 0 HB2 GLU B 12 2.969 -3.826 9.209 1.00 0.00 H new ATOM 0 HB3 GLU B 12 1.319 -4.279 8.827 1.00 0.00 H new ATOM 0 HG2 GLU B 12 2.020 -6.033 7.624 1.00 0.00 H new ATOM 0 HG3 GLU B 12 2.997 -4.999 6.600 1.00 0.00 H new ATOM 1660 N PHE B 13 -0.106 -3.047 6.631 1.00 0.00 N ATOM 1661 CA PHE B 13 -1.524 -2.727 6.488 1.00 0.00 C ATOM 1662 C PHE B 13 -2.358 -3.488 7.512 1.00 0.00 C ATOM 1663 O PHE B 13 -2.514 -4.706 7.421 1.00 0.00 O ATOM 1664 CB PHE B 13 -2.004 -3.061 5.066 1.00 0.00 C ATOM 1665 CG PHE B 13 -3.384 -2.558 4.713 1.00 0.00 C ATOM 1666 CD1 PHE B 13 -4.146 -1.824 5.615 1.00 0.00 C ATOM 1667 CD2 PHE B 13 -3.919 -2.827 3.461 1.00 0.00 C ATOM 1668 CE1 PHE B 13 -5.408 -1.376 5.273 1.00 0.00 C ATOM 1669 CE2 PHE B 13 -5.178 -2.377 3.116 1.00 0.00 C ATOM 1670 CZ PHE B 13 -5.922 -1.651 4.022 1.00 0.00 C ATOM 0 H PHE B 13 0.208 -3.829 6.057 1.00 0.00 H new ATOM 0 HA PHE B 13 -1.651 -1.659 6.665 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -1.291 -2.646 4.353 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -1.987 -4.144 4.940 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.747 -1.601 6.594 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.343 -3.396 2.747 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -5.992 -0.811 5.985 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.580 -2.594 2.137 1.00 0.00 H new ATOM 0 HZ PHE B 13 -6.906 -1.298 3.753 1.00 0.00 H new ATOM 1680 N VAL B 14 -2.901 -2.756 8.477 1.00 0.00 N ATOM 1681 CA VAL B 14 -3.741 -3.349 9.507 1.00 0.00 C ATOM 1682 C VAL B 14 -5.189 -2.887 9.343 1.00 0.00 C ATOM 1683 O VAL B 14 -5.595 -1.874 9.913 1.00 0.00 O ATOM 1684 CB VAL B 14 -3.244 -2.987 10.919 1.00 0.00 C ATOM 1685 CG1 VAL B 14 -2.121 -3.920 11.342 1.00 0.00 C ATOM 1686 CG2 VAL B 14 -2.789 -1.535 10.975 1.00 0.00 C ATOM 0 H VAL B 14 -2.773 -1.748 8.567 1.00 0.00 H new ATOM 0 HA VAL B 14 -3.687 -4.431 9.390 1.00 0.00 H new ATOM 0 HB VAL B 14 -4.073 -3.108 11.617 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -1.781 -3.650 12.342 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -2.484 -4.948 11.347 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -1.291 -3.832 10.641 1.00 0.00 H new ATOM 0 HG21 VAL B 14 -2.442 -1.301 11.981 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -1.976 -1.381 10.266 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -3.623 -0.882 10.718 1.00 0.00 H new ATOM 1696 N PRO B 15 -5.979 -3.608 8.522 1.00 0.00 N ATOM 1697 CA PRO B 15 -7.379 -3.256 8.250 1.00 0.00 C ATOM 1698 C PRO B 15 -8.225 -3.138 9.516 1.00 0.00 C ATOM 1699 O PRO B 15 -7.705 -3.111 10.631 1.00 0.00 O ATOM 1700 CB PRO B 15 -7.881 -4.417 7.387 1.00 0.00 C ATOM 1701 CG PRO B 15 -6.655 -4.984 6.765 1.00 0.00 C ATOM 1702 CD PRO B 15 -5.565 -4.817 7.785 1.00 0.00 C ATOM 0 HA PRO B 15 -7.455 -2.279 7.772 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -8.400 -5.162 7.989 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -8.585 -4.072 6.630 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -6.795 -6.035 6.511 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -6.409 -4.463 5.840 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -5.491 -5.684 8.442 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -4.590 -4.689 7.315 1.00 0.00 H new ATOM 1710 N GLY B 16 -9.540 -3.107 9.326 1.00 0.00 N ATOM 1711 CA GLY B 16 -10.455 -2.982 10.447 1.00 0.00 C ATOM 1712 C GLY B 16 -10.680 -1.539 10.850 1.00 0.00 C ATOM 1713 O GLY B 16 -11.822 -1.102 10.993 1.00 0.00 O ATOM 0 H GLY B 16 -9.990 -3.166 8.413 1.00 0.00 H new ATOM 0 HA2 GLY B 16 -11.410 -3.437 10.185 1.00 0.00 H new ATOM 0 HA3 GLY B 16 -10.061 -3.537 11.298 1.00 0.00 H new ATOM 1717 N VAL B 17 -9.592 -0.803 11.049 1.00 0.00 N ATOM 1718 CA VAL B 17 -9.676 0.607 11.412 1.00 0.00 C ATOM 1719 C VAL B 17 -9.059 1.488 10.331 1.00 0.00 C ATOM 1720 O VAL B 17 -8.281 1.015 9.502 1.00 0.00 O ATOM 1721 CB VAL B 17 -8.974 0.887 12.754 1.00 0.00 C ATOM 1722 CG1 VAL B 17 -9.788 0.327 13.910 1.00 0.00 C ATOM 1723 CG2 VAL B 17 -7.567 0.308 12.751 1.00 0.00 C ATOM 0 H VAL B 17 -8.640 -1.160 10.965 1.00 0.00 H new ATOM 0 HA VAL B 17 -10.735 0.846 11.512 1.00 0.00 H new ATOM 0 HB VAL B 17 -8.897 1.966 12.885 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -9.276 0.535 14.850 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -10.772 0.795 13.922 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -9.900 -0.750 13.788 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -7.086 0.515 13.707 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -7.617 -0.770 12.596 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -6.988 0.763 11.947 1.00 0.00 H new ATOM 1733 N LYS B 18 -9.397 2.774 10.354 1.00 0.00 N ATOM 1734 CA LYS B 18 -8.863 3.722 9.382 1.00 0.00 C ATOM 1735 C LYS B 18 -7.419 4.082 9.718 1.00 0.00 C ATOM 1736 O LYS B 18 -7.164 4.953 10.550 1.00 0.00 O ATOM 1737 CB LYS B 18 -9.720 4.991 9.342 1.00 0.00 C ATOM 1738 CG LYS B 18 -11.207 4.729 9.527 1.00 0.00 C ATOM 1739 CD LYS B 18 -11.721 5.329 10.826 1.00 0.00 C ATOM 1740 CE LYS B 18 -13.230 5.189 10.946 1.00 0.00 C ATOM 1741 NZ LYS B 18 -13.648 4.873 12.340 1.00 0.00 N ATOM 0 H LYS B 18 -10.037 3.183 11.034 1.00 0.00 H new ATOM 0 HA LYS B 18 -8.887 3.249 8.400 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -9.380 5.673 10.121 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -9.564 5.494 8.388 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -11.759 5.150 8.687 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -11.392 3.655 9.523 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -11.241 4.836 11.671 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -11.447 6.383 10.874 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -13.707 6.115 10.625 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -13.576 4.402 10.276 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -14.684 4.785 12.381 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -13.213 3.977 12.638 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -13.340 5.636 12.976 1.00 0.00 H new ATOM 1755 N TYR B 19 -6.478 3.402 9.068 1.00 0.00 N ATOM 1756 CA TYR B 19 -5.059 3.645 9.303 1.00 0.00 C ATOM 1757 C TYR B 19 -4.667 5.051 8.864 1.00 0.00 C ATOM 1758 O TYR B 19 -4.449 5.304 7.679 1.00 0.00 O ATOM 1759 CB TYR B 19 -4.211 2.608 8.559 1.00 0.00 C ATOM 1760 CG TYR B 19 -2.909 2.263 9.252 1.00 0.00 C ATOM 1761 CD1 TYR B 19 -2.860 2.063 10.627 1.00 0.00 C ATOM 1762 CD2 TYR B 19 -1.731 2.126 8.528 1.00 0.00 C ATOM 1763 CE1 TYR B 19 -1.673 1.745 11.260 1.00 0.00 C ATOM 1764 CE2 TYR B 19 -0.540 1.807 9.154 1.00 0.00 C ATOM 1765 CZ TYR B 19 -0.517 1.618 10.519 1.00 0.00 C ATOM 1766 OH TYR B 19 0.667 1.300 11.145 1.00 0.00 O ATOM 0 H TYR B 19 -6.673 2.679 8.375 1.00 0.00 H new ATOM 0 HA TYR B 19 -4.873 3.554 10.373 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -4.797 1.697 8.435 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -3.990 2.984 7.560 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -3.764 2.158 11.210 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -1.746 2.271 7.458 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -1.651 1.597 12.330 1.00 0.00 H new ATOM 0 HE2 TYR B 19 0.367 1.707 8.577 1.00 0.00 H new ATOM 0 HH TYR B 19 1.297 2.045 11.052 1.00 0.00 H new ATOM 1776 N GLY B 20 -4.583 5.963 9.829 1.00 0.00 N ATOM 1777 CA GLY B 20 -4.219 7.334 9.525 1.00 0.00 C ATOM 1778 C GLY B 20 -5.379 8.128 8.957 1.00 0.00 C ATOM 1779 O GLY B 20 -5.395 8.452 7.769 1.00 0.00 O ATOM 0 H GLY B 20 -4.761 5.776 10.816 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -3.858 7.821 10.431 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -3.395 7.339 8.811 1.00 0.00 H new ATOM 1783 N ASN B 21 -6.350 8.445 9.807 1.00 0.00 N ATOM 1784 CA ASN B 21 -7.518 9.209 9.385 1.00 0.00 C ATOM 1785 C ASN B 21 -7.393 10.670 9.805 1.00 0.00 C ATOM 1786 O ASN B 21 -7.073 10.969 10.956 1.00 0.00 O ATOM 1787 CB ASN B 21 -8.792 8.601 9.976 1.00 0.00 C ATOM 1788 CG ASN B 21 -8.800 8.632 11.491 1.00 0.00 C ATOM 1789 OD1 ASN B 21 -7.987 7.974 12.141 1.00 0.00 O ATOM 1790 ND2 ASN B 21 -9.721 9.399 12.063 1.00 0.00 N ATOM 0 H ASN B 21 -6.351 8.184 10.793 1.00 0.00 H new ATOM 0 HA ASN B 21 -7.576 9.167 8.297 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -9.659 9.145 9.600 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -8.890 7.570 9.636 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -9.774 9.460 13.080 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -10.375 9.927 11.486 1.00 0.00 H new ATOM 1797 N ILE B 22 -7.642 11.575 8.864 1.00 0.00 N ATOM 1798 CA ILE B 22 -7.554 13.006 9.136 1.00 0.00 C ATOM 1799 C ILE B 22 -8.868 13.708 8.809 1.00 0.00 C ATOM 1800 O ILE B 22 -9.462 13.388 7.759 1.00 0.00 O ATOM 1801 CB ILE B 22 -6.414 13.665 8.334 1.00 0.00 C ATOM 1802 CG1 ILE B 22 -5.130 12.835 8.447 1.00 0.00 C ATOM 1803 CG2 ILE B 22 -6.181 15.090 8.814 1.00 0.00 C ATOM 1804 CD1 ILE B 22 -4.605 12.704 9.862 1.00 0.00 C ATOM 1805 OXT ILE B 22 -9.290 14.571 9.607 1.00 0.00 O ATOM 0 H ILE B 22 -7.906 11.343 7.906 1.00 0.00 H new ATOM 0 HA ILE B 22 -7.343 13.113 10.200 1.00 0.00 H new ATOM 0 HB ILE B 22 -6.704 13.702 7.284 1.00 0.00 H new ATOM 0 HG12 ILE B 22 -5.317 11.839 8.046 1.00 0.00 H new ATOM 0 HG13 ILE B 22 -4.359 13.290 7.825 1.00 0.00 H new ATOM 0 HG21 ILE B 22 -5.373 15.541 8.237 1.00 0.00 H new ATOM 0 HG22 ILE B 22 -7.092 15.673 8.679 1.00 0.00 H new ATOM 0 HG23 ILE B 22 -5.911 15.079 9.870 1.00 0.00 H new ATOM 0 HD11 ILE B 22 -3.695 12.103 9.858 1.00 0.00 H new ATOM 0 HD12 ILE B 22 -4.385 13.694 10.261 1.00 0.00 H new ATOM 0 HD13 ILE B 22 -5.357 12.220 10.486 1.00 0.00 H new TER 1817 ILE B 22