USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 917 hydrogens (8 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 4 PTR HN2 : B 4 PTR N : B 3 VAL C :(H bumps) USER MOD NoAdj-H: B 4 PTR H : B 4 PTR N : B 3 VAL C :(H bumps) USER MOD Set 1.1: A 63 THR OG1 : rot 7:sc= -0.23 USER MOD Set 1.2: A 75 SER OG : rot 18:sc= 1.18 USER MOD Set 2.1: A 29 THR OG1 : rot 81:sc= 0.398 USER MOD Set 2.2: A 32 CYS SG : rot 180:sc= -1.52 USER MOD Set 2.3: A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ -130:sc= -3.68! (180deg=-6.96!) USER MOD Single : A 2 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0564) USER MOD Single : A 3 THR OG1 : rot -51:sc= 0.606 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 158:sc= -0.0856 (180deg=-0.511) USER MOD Single : A 14 LYS NZ :NH3+ -139:sc= -0.245 (180deg=-1.42!) USER MOD Single : A 15 MET CE :methyl -157:sc= -0.0206 (180deg=-0.369) USER MOD Single : A 16 LYS NZ :NH3+ 160:sc= -0.278 (180deg=-0.779) USER MOD Single : A 18 LYS NZ :NH3+ 157:sc= -0.0188 (180deg=-0.266) USER MOD Single : A 19 ASN : amide:sc= -0.0959 K(o=-0.096,f=-2.5!) USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= -2.67! (180deg=-2.88!) USER MOD Single : A 30 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0147) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -2.4 K(o=-2.4,f=-5.2!) USER MOD Single : A 48 SER OG : rot 180:sc= -0.541 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.00113 USER MOD Single : A 51 ASN : amide:sc= -0.669 K(o=-0.67,f=-1.5!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.126) USER MOD Single : A 61 SER OG : rot 131:sc= -0.531 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -3.13! C(o=-3.1!,f=-4.3!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -62:sc= 1.27 USER MOD Single : A 77 GLN : amide:sc= -10.8! C(o=-11!,f=-11!) USER MOD Single : A 78 THR OG1 : rot 29:sc= 0.127! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN :FLIP amide:sc= -3.18! C(o=-4.7!,f=-3.2!) USER MOD Single : A 86 GLN : amide:sc= -0.0189 K(o=-0.019,f=-1.8!) USER MOD Single : A 91 TYR OH : rot 30:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -120:sc= -0.423 (180deg=-2.67!) USER MOD Single : A 98 LYS NZ :NH3+ 151:sc= -0.122 (180deg=-0.763) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot -150:sc= 0.0256 USER MOD Single : B 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 87.645 15.362 -10.570 1.00 0.00 N ATOM 2 CA LEU A 1 88.852 14.614 -10.118 1.00 0.00 C ATOM 3 C LEU A 1 88.466 13.675 -8.976 1.00 0.00 C ATOM 4 O LEU A 1 87.304 13.417 -8.736 1.00 0.00 O ATOM 5 CB LEU A 1 89.920 15.601 -9.633 1.00 0.00 C ATOM 6 CG LEU A 1 90.585 16.283 -10.834 1.00 0.00 C ATOM 7 CD1 LEU A 1 89.567 17.166 -11.569 1.00 0.00 C ATOM 8 CD2 LEU A 1 91.749 17.148 -10.338 1.00 0.00 C ATOM 0 H1 LEU A 1 87.561 15.293 -11.604 1.00 0.00 H new ATOM 0 H2 LEU A 1 86.798 14.954 -10.126 1.00 0.00 H new ATOM 0 H3 LEU A 1 87.733 16.361 -10.296 1.00 0.00 H new ATOM 0 HA LEU A 1 89.252 14.033 -10.949 1.00 0.00 H new ATOM 0 HB2 LEU A 1 89.467 16.350 -8.983 1.00 0.00 H new ATOM 0 HB3 LEU A 1 90.670 15.077 -9.041 1.00 0.00 H new ATOM 0 HG LEU A 1 90.955 15.522 -11.522 1.00 0.00 H new ATOM 0 HD11 LEU A 1 90.049 17.646 -12.420 1.00 0.00 H new ATOM 0 HD12 LEU A 1 88.739 16.551 -11.921 1.00 0.00 H new ATOM 0 HD13 LEU A 1 89.189 17.929 -10.889 1.00 0.00 H new ATOM 0 HD21 LEU A 1 92.227 17.636 -11.187 1.00 0.00 H new ATOM 0 HD22 LEU A 1 91.373 17.904 -9.649 1.00 0.00 H new ATOM 0 HD23 LEU A 1 92.476 16.519 -9.824 1.00 0.00 H new ATOM 22 N LYS A 2 89.433 13.163 -8.269 1.00 0.00 N ATOM 23 CA LYS A 2 89.128 12.242 -7.146 1.00 0.00 C ATOM 24 C LYS A 2 88.148 11.170 -7.623 1.00 0.00 C ATOM 25 O LYS A 2 87.495 10.515 -6.838 1.00 0.00 O ATOM 26 CB LYS A 2 88.517 13.039 -5.995 1.00 0.00 C ATOM 27 CG LYS A 2 89.627 13.804 -5.267 1.00 0.00 C ATOM 28 CD LYS A 2 90.400 14.678 -6.262 1.00 0.00 C ATOM 29 CE LYS A 2 91.181 15.759 -5.508 1.00 0.00 C ATOM 30 NZ LYS A 2 92.230 15.117 -4.667 1.00 0.00 N ATOM 0 H LYS A 2 90.425 13.345 -8.423 1.00 0.00 H new ATOM 0 HA LYS A 2 90.042 11.759 -6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 2 87.769 13.734 -6.375 1.00 0.00 H new ATOM 0 HB3 LYS A 2 88.007 12.369 -5.303 1.00 0.00 H new ATOM 0 HG2 LYS A 2 89.197 14.426 -4.482 1.00 0.00 H new ATOM 0 HG3 LYS A 2 90.306 13.103 -4.782 1.00 0.00 H new ATOM 0 HD2 LYS A 2 91.085 14.062 -6.845 1.00 0.00 H new ATOM 0 HD3 LYS A 2 89.709 15.141 -6.966 1.00 0.00 H new ATOM 0 HE2 LYS A 2 91.639 16.451 -6.214 1.00 0.00 H new ATOM 0 HE3 LYS A 2 90.505 16.342 -4.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 92.836 15.851 -4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 91.778 14.566 -3.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 92.809 14.485 -5.256 1.00 0.00 H new ATOM 44 N THR A 3 88.044 10.986 -8.914 1.00 0.00 N ATOM 45 CA THR A 3 87.107 9.953 -9.451 1.00 0.00 C ATOM 46 C THR A 3 87.646 9.412 -10.775 1.00 0.00 C ATOM 47 O THR A 3 86.933 9.306 -11.753 1.00 0.00 O ATOM 48 CB THR A 3 85.726 10.582 -9.676 1.00 0.00 C ATOM 49 OG1 THR A 3 84.826 9.580 -10.129 1.00 0.00 O ATOM 50 CG2 THR A 3 85.812 11.703 -10.724 1.00 0.00 C ATOM 0 H THR A 3 88.567 11.506 -9.619 1.00 0.00 H new ATOM 0 HA THR A 3 87.020 9.135 -8.736 1.00 0.00 H new ATOM 0 HB THR A 3 85.371 11.006 -8.737 1.00 0.00 H new ATOM 0 HG1 THR A 3 85.220 9.107 -10.892 1.00 0.00 H new ATOM 0 HG21 THR A 3 84.824 12.139 -10.872 1.00 0.00 H new ATOM 0 HG22 THR A 3 86.500 12.474 -10.377 1.00 0.00 H new ATOM 0 HG23 THR A 3 86.173 11.292 -11.667 1.00 0.00 H new ATOM 58 N TYR A 4 88.903 9.065 -10.812 1.00 0.00 N ATOM 59 CA TYR A 4 89.495 8.526 -12.071 1.00 0.00 C ATOM 60 C TYR A 4 90.635 7.563 -11.729 1.00 0.00 C ATOM 61 O TYR A 4 91.519 7.879 -10.957 1.00 0.00 O ATOM 62 CB TYR A 4 90.036 9.688 -12.911 1.00 0.00 C ATOM 63 CG TYR A 4 90.207 9.241 -14.345 1.00 0.00 C ATOM 64 CD1 TYR A 4 91.255 8.382 -14.691 1.00 0.00 C ATOM 65 CD2 TYR A 4 89.314 9.685 -15.325 1.00 0.00 C ATOM 66 CE1 TYR A 4 91.411 7.966 -16.019 1.00 0.00 C ATOM 67 CE2 TYR A 4 89.468 9.271 -16.653 1.00 0.00 C ATOM 68 CZ TYR A 4 90.517 8.411 -17.001 1.00 0.00 C ATOM 69 OH TYR A 4 90.669 8.003 -18.310 1.00 0.00 O ATOM 0 H TYR A 4 89.547 9.131 -10.024 1.00 0.00 H new ATOM 0 HA TYR A 4 88.732 7.992 -12.636 1.00 0.00 H new ATOM 0 HB2 TYR A 4 89.351 10.535 -12.863 1.00 0.00 H new ATOM 0 HB3 TYR A 4 90.991 10.027 -12.509 1.00 0.00 H new ATOM 0 HD1 TYR A 4 91.944 8.039 -13.934 1.00 0.00 H new ATOM 0 HD2 TYR A 4 88.505 10.348 -15.057 1.00 0.00 H new ATOM 0 HE1 TYR A 4 92.220 7.302 -16.286 1.00 0.00 H new ATOM 0 HE2 TYR A 4 88.778 9.615 -17.409 1.00 0.00 H new ATOM 0 HH TYR A 4 89.964 8.403 -18.861 1.00 0.00 H new ATOM 79 N GLY A 5 90.621 6.389 -12.302 1.00 0.00 N ATOM 80 CA GLY A 5 91.704 5.402 -12.017 1.00 0.00 C ATOM 81 C GLY A 5 91.368 4.622 -10.745 1.00 0.00 C ATOM 82 O GLY A 5 92.144 3.810 -10.281 1.00 0.00 O ATOM 0 H GLY A 5 89.906 6.070 -12.956 1.00 0.00 H new ATOM 0 HA2 GLY A 5 91.815 4.716 -12.857 1.00 0.00 H new ATOM 0 HA3 GLY A 5 92.657 5.917 -11.898 1.00 0.00 H new ATOM 86 N VAL A 6 90.214 4.865 -10.180 1.00 0.00 N ATOM 87 CA VAL A 6 89.804 4.146 -8.932 1.00 0.00 C ATOM 88 C VAL A 6 88.735 3.105 -9.276 1.00 0.00 C ATOM 89 O VAL A 6 87.839 3.360 -10.057 1.00 0.00 O ATOM 90 CB VAL A 6 89.230 5.158 -7.941 1.00 0.00 C ATOM 91 CG1 VAL A 6 88.859 4.442 -6.644 1.00 0.00 C ATOM 92 CG2 VAL A 6 90.279 6.232 -7.647 1.00 0.00 C ATOM 0 H VAL A 6 89.531 5.536 -10.531 1.00 0.00 H new ATOM 0 HA VAL A 6 90.667 3.647 -8.490 1.00 0.00 H new ATOM 0 HB VAL A 6 88.342 5.624 -8.368 1.00 0.00 H new ATOM 0 HG11 VAL A 6 88.449 5.162 -5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 6 88.114 3.674 -6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 6 89.748 3.979 -6.217 1.00 0.00 H new ATOM 0 HG21 VAL A 6 89.871 6.955 -6.940 1.00 0.00 H new ATOM 0 HG22 VAL A 6 91.166 5.766 -7.218 1.00 0.00 H new ATOM 0 HG23 VAL A 6 90.548 6.741 -8.573 1.00 0.00 H new ATOM 102 N SER A 7 88.821 1.930 -8.704 1.00 0.00 N ATOM 103 CA SER A 7 87.810 0.874 -9.007 1.00 0.00 C ATOM 104 C SER A 7 86.627 0.991 -8.044 1.00 0.00 C ATOM 105 O SER A 7 86.725 0.672 -6.877 1.00 0.00 O ATOM 106 CB SER A 7 88.447 -0.503 -8.853 1.00 0.00 C ATOM 107 OG SER A 7 89.752 -0.486 -9.417 1.00 0.00 O ATOM 0 H SER A 7 89.547 1.658 -8.041 1.00 0.00 H new ATOM 0 HA SER A 7 87.457 1.005 -10.030 1.00 0.00 H new ATOM 0 HB2 SER A 7 88.498 -0.776 -7.799 1.00 0.00 H new ATOM 0 HB3 SER A 7 87.835 -1.256 -9.348 1.00 0.00 H new ATOM 0 HG SER A 7 90.163 -1.370 -9.317 1.00 0.00 H new ATOM 113 N PHE A 8 85.510 1.435 -8.538 1.00 0.00 N ATOM 114 CA PHE A 8 84.298 1.578 -7.680 1.00 0.00 C ATOM 115 C PHE A 8 83.569 0.233 -7.602 1.00 0.00 C ATOM 116 O PHE A 8 83.685 -0.600 -8.479 1.00 0.00 O ATOM 117 CB PHE A 8 83.376 2.627 -8.302 1.00 0.00 C ATOM 118 CG PHE A 8 84.201 3.806 -8.756 1.00 0.00 C ATOM 119 CD1 PHE A 8 84.730 3.832 -10.051 1.00 0.00 C ATOM 120 CD2 PHE A 8 84.440 4.870 -7.881 1.00 0.00 C ATOM 121 CE1 PHE A 8 85.498 4.924 -10.472 1.00 0.00 C ATOM 122 CE2 PHE A 8 85.208 5.963 -8.300 1.00 0.00 C ATOM 123 CZ PHE A 8 85.737 5.990 -9.596 1.00 0.00 C ATOM 0 H PHE A 8 85.380 1.709 -9.512 1.00 0.00 H new ATOM 0 HA PHE A 8 84.586 1.888 -6.675 1.00 0.00 H new ATOM 0 HB2 PHE A 8 82.836 2.199 -9.147 1.00 0.00 H new ATOM 0 HB3 PHE A 8 82.629 2.948 -7.576 1.00 0.00 H new ATOM 0 HD1 PHE A 8 84.546 3.009 -10.726 1.00 0.00 H new ATOM 0 HD2 PHE A 8 84.032 4.849 -6.881 1.00 0.00 H new ATOM 0 HE1 PHE A 8 85.906 4.944 -11.472 1.00 0.00 H new ATOM 0 HE2 PHE A 8 85.392 6.785 -7.624 1.00 0.00 H new ATOM 0 HZ PHE A 8 86.329 6.833 -9.920 1.00 0.00 H new ATOM 133 N PHE A 9 82.814 0.019 -6.556 1.00 0.00 N ATOM 134 CA PHE A 9 82.061 -1.265 -6.402 1.00 0.00 C ATOM 135 C PHE A 9 80.659 -0.942 -5.878 1.00 0.00 C ATOM 136 O PHE A 9 80.498 -0.148 -4.974 1.00 0.00 O ATOM 137 CB PHE A 9 82.791 -2.167 -5.393 1.00 0.00 C ATOM 138 CG PHE A 9 83.903 -2.929 -6.078 1.00 0.00 C ATOM 139 CD1 PHE A 9 85.133 -2.306 -6.319 1.00 0.00 C ATOM 140 CD2 PHE A 9 83.705 -4.261 -6.462 1.00 0.00 C ATOM 141 CE1 PHE A 9 86.165 -3.016 -6.945 1.00 0.00 C ATOM 142 CE2 PHE A 9 84.736 -4.970 -7.088 1.00 0.00 C ATOM 143 CZ PHE A 9 85.967 -4.348 -7.329 1.00 0.00 C ATOM 0 H PHE A 9 82.685 0.684 -5.794 1.00 0.00 H new ATOM 0 HA PHE A 9 81.994 -1.781 -7.360 1.00 0.00 H new ATOM 0 HB2 PHE A 9 83.200 -1.562 -4.584 1.00 0.00 H new ATOM 0 HB3 PHE A 9 82.086 -2.866 -4.943 1.00 0.00 H new ATOM 0 HD1 PHE A 9 85.286 -1.279 -6.022 1.00 0.00 H new ATOM 0 HD2 PHE A 9 82.756 -4.741 -6.275 1.00 0.00 H new ATOM 0 HE1 PHE A 9 87.114 -2.536 -7.132 1.00 0.00 H new ATOM 0 HE2 PHE A 9 84.582 -5.997 -7.385 1.00 0.00 H new ATOM 0 HZ PHE A 9 86.764 -4.895 -7.811 1.00 0.00 H new ATOM 153 N LEU A 10 79.644 -1.545 -6.432 1.00 0.00 N ATOM 154 CA LEU A 10 78.265 -1.253 -5.951 1.00 0.00 C ATOM 155 C LEU A 10 78.013 -1.988 -4.642 1.00 0.00 C ATOM 156 O LEU A 10 77.755 -3.175 -4.622 1.00 0.00 O ATOM 157 CB LEU A 10 77.237 -1.712 -6.994 1.00 0.00 C ATOM 158 CG LEU A 10 75.804 -1.318 -6.554 1.00 0.00 C ATOM 159 CD1 LEU A 10 75.501 0.115 -6.986 1.00 0.00 C ATOM 160 CD2 LEU A 10 74.790 -2.259 -7.212 1.00 0.00 C ATOM 0 H LEU A 10 79.709 -2.223 -7.192 1.00 0.00 H new ATOM 0 HA LEU A 10 78.166 -0.179 -5.794 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.464 -1.261 -7.960 1.00 0.00 H new ATOM 0 HB3 LEU A 10 77.300 -2.792 -7.124 1.00 0.00 H new ATOM 0 HG LEU A 10 75.734 -1.394 -5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 10 74.492 0.384 -6.673 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.217 0.794 -6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 10 75.577 0.192 -8.071 1.00 0.00 H new ATOM 0 HD21 LEU A 10 73.782 -1.982 -6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 10 74.871 -2.181 -8.296 1.00 0.00 H new ATOM 0 HD23 LEU A 10 74.994 -3.285 -6.906 1.00 0.00 H new ATOM 172 N VAL A 11 78.046 -1.270 -3.554 1.00 0.00 N ATOM 173 CA VAL A 11 77.767 -1.880 -2.224 1.00 0.00 C ATOM 174 C VAL A 11 76.495 -1.234 -1.693 1.00 0.00 C ATOM 175 O VAL A 11 76.197 -0.099 -2.010 1.00 0.00 O ATOM 176 CB VAL A 11 78.935 -1.616 -1.267 1.00 0.00 C ATOM 177 CG1 VAL A 11 80.251 -2.034 -1.933 1.00 0.00 C ATOM 178 CG2 VAL A 11 78.998 -0.126 -0.913 1.00 0.00 C ATOM 0 H VAL A 11 78.257 -0.272 -3.530 1.00 0.00 H new ATOM 0 HA VAL A 11 77.645 -2.960 -2.310 1.00 0.00 H new ATOM 0 HB VAL A 11 78.784 -2.196 -0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 11 81.080 -1.845 -1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.215 -3.096 -2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 11 80.395 -1.458 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 11 79.831 0.051 -0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 11 79.141 0.458 -1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 11 78.067 0.173 -0.432 1.00 0.00 H new ATOM 188 N LYS A 12 75.735 -1.939 -0.902 1.00 0.00 N ATOM 189 CA LYS A 12 74.465 -1.360 -0.361 1.00 0.00 C ATOM 190 C LYS A 12 74.656 -1.055 1.124 1.00 0.00 C ATOM 191 O LYS A 12 75.362 -1.750 1.829 1.00 0.00 O ATOM 192 CB LYS A 12 73.319 -2.376 -0.573 1.00 0.00 C ATOM 193 CG LYS A 12 72.403 -1.921 -1.721 1.00 0.00 C ATOM 194 CD LYS A 12 71.457 -3.060 -2.100 1.00 0.00 C ATOM 195 CE LYS A 12 70.698 -2.697 -3.378 1.00 0.00 C ATOM 196 NZ LYS A 12 71.646 -2.673 -4.528 1.00 0.00 N ATOM 0 H LYS A 12 75.936 -2.894 -0.604 1.00 0.00 H new ATOM 0 HA LYS A 12 74.211 -0.435 -0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 12 73.733 -3.359 -0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 12 72.740 -2.477 0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 12 71.831 -1.044 -1.418 1.00 0.00 H new ATOM 0 HG3 LYS A 12 73.001 -1.629 -2.584 1.00 0.00 H new ATOM 0 HD2 LYS A 12 72.022 -3.980 -2.250 1.00 0.00 H new ATOM 0 HD3 LYS A 12 70.754 -3.247 -1.288 1.00 0.00 H new ATOM 0 HE2 LYS A 12 69.905 -3.422 -3.561 1.00 0.00 H new ATOM 0 HE3 LYS A 12 70.220 -1.724 -3.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 71.119 -2.800 -5.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 72.144 -1.760 -4.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 72.338 -3.442 -4.424 1.00 0.00 H new ATOM 210 N GLU A 13 74.032 -0.007 1.592 1.00 0.00 N ATOM 211 CA GLU A 13 74.157 0.393 3.029 1.00 0.00 C ATOM 212 C GLU A 13 72.799 0.241 3.711 1.00 0.00 C ATOM 213 O GLU A 13 71.778 0.162 3.062 1.00 0.00 O ATOM 214 CB GLU A 13 74.600 1.856 3.111 1.00 0.00 C ATOM 215 CG GLU A 13 76.100 1.961 2.814 1.00 0.00 C ATOM 216 CD GLU A 13 76.902 1.581 4.061 1.00 0.00 C ATOM 217 OE1 GLU A 13 76.323 0.987 4.956 1.00 0.00 O ATOM 218 OE2 GLU A 13 78.082 1.890 4.100 1.00 0.00 O ATOM 0 H GLU A 13 73.432 0.599 1.033 1.00 0.00 H new ATOM 0 HA GLU A 13 74.893 -0.241 3.524 1.00 0.00 H new ATOM 0 HB2 GLU A 13 74.036 2.457 2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.387 2.255 4.103 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.363 1.303 1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.349 2.976 2.505 1.00 0.00 H new ATOM 225 N LYS A 14 72.785 0.195 5.018 1.00 0.00 N ATOM 226 CA LYS A 14 71.498 0.041 5.765 1.00 0.00 C ATOM 227 C LYS A 14 71.090 1.384 6.380 1.00 0.00 C ATOM 228 O LYS A 14 71.818 1.978 7.150 1.00 0.00 O ATOM 229 CB LYS A 14 71.661 -1.015 6.887 1.00 0.00 C ATOM 230 CG LYS A 14 72.811 -1.982 6.567 1.00 0.00 C ATOM 231 CD LYS A 14 72.523 -2.771 5.276 1.00 0.00 C ATOM 232 CE LYS A 14 71.621 -3.977 5.577 1.00 0.00 C ATOM 233 NZ LYS A 14 72.257 -4.831 6.621 1.00 0.00 N ATOM 0 H LYS A 14 73.616 0.258 5.606 1.00 0.00 H new ATOM 0 HA LYS A 14 70.724 -0.289 5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.854 -0.516 7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 14 70.732 -1.574 7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 14 73.741 -1.424 6.457 1.00 0.00 H new ATOM 0 HG3 LYS A 14 72.951 -2.674 7.397 1.00 0.00 H new ATOM 0 HD2 LYS A 14 72.041 -2.122 4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 14 73.459 -3.110 4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 14 70.643 -3.636 5.918 1.00 0.00 H new ATOM 0 HE3 LYS A 14 71.458 -4.557 4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 72.130 -5.833 6.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 73.273 -4.614 6.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 71.813 -4.642 7.542 1.00 0.00 H new ATOM 247 N MET A 15 69.923 1.849 6.052 1.00 0.00 N ATOM 248 CA MET A 15 69.439 3.136 6.617 1.00 0.00 C ATOM 249 C MET A 15 69.139 2.942 8.110 1.00 0.00 C ATOM 250 O MET A 15 68.839 1.849 8.544 1.00 0.00 O ATOM 251 CB MET A 15 68.163 3.567 5.878 1.00 0.00 C ATOM 252 CG MET A 15 68.508 4.283 4.550 1.00 0.00 C ATOM 253 SD MET A 15 68.229 6.073 4.721 1.00 0.00 S ATOM 254 CE MET A 15 69.958 6.610 4.807 1.00 0.00 C ATOM 0 H MET A 15 69.276 1.390 5.411 1.00 0.00 H new ATOM 0 HA MET A 15 70.199 3.908 6.496 1.00 0.00 H new ATOM 0 HB2 MET A 15 67.543 2.694 5.674 1.00 0.00 H new ATOM 0 HB3 MET A 15 67.578 4.232 6.513 1.00 0.00 H new ATOM 0 HG2 MET A 15 69.547 4.092 4.283 1.00 0.00 H new ATOM 0 HG3 MET A 15 67.893 3.886 3.742 1.00 0.00 H new ATOM 0 HE1 MET A 15 70.014 7.577 5.307 1.00 0.00 H new ATOM 0 HE2 MET A 15 70.539 5.877 5.367 1.00 0.00 H new ATOM 0 HE3 MET A 15 70.362 6.699 3.799 1.00 0.00 H new ATOM 264 N LYS A 16 69.251 4.008 8.879 1.00 0.00 N ATOM 265 CA LYS A 16 69.014 3.976 10.370 1.00 0.00 C ATOM 266 C LYS A 16 68.430 2.641 10.850 1.00 0.00 C ATOM 267 O LYS A 16 69.098 1.863 11.501 1.00 0.00 O ATOM 268 CB LYS A 16 68.062 5.120 10.760 1.00 0.00 C ATOM 269 CG LYS A 16 68.255 6.315 9.804 1.00 0.00 C ATOM 270 CD LYS A 16 67.413 6.131 8.502 1.00 0.00 C ATOM 271 CE LYS A 16 66.328 7.216 8.396 1.00 0.00 C ATOM 272 NZ LYS A 16 65.758 7.212 7.018 1.00 0.00 N ATOM 0 H LYS A 16 69.505 4.930 8.523 1.00 0.00 H new ATOM 0 HA LYS A 16 69.983 4.097 10.854 1.00 0.00 H new ATOM 0 HB2 LYS A 16 67.029 4.774 10.720 1.00 0.00 H new ATOM 0 HB3 LYS A 16 68.254 5.430 11.787 1.00 0.00 H new ATOM 0 HG2 LYS A 16 67.960 7.237 10.305 1.00 0.00 H new ATOM 0 HG3 LYS A 16 69.310 6.414 9.548 1.00 0.00 H new ATOM 0 HD2 LYS A 16 68.067 6.178 7.631 1.00 0.00 H new ATOM 0 HD3 LYS A 16 66.949 5.145 8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 16 65.541 7.032 9.128 1.00 0.00 H new ATOM 0 HE3 LYS A 16 66.752 8.194 8.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 64.828 7.678 7.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 66.397 7.724 6.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 65.650 6.231 6.690 1.00 0.00 H new ATOM 286 N GLY A 17 67.187 2.379 10.540 1.00 0.00 N ATOM 287 CA GLY A 17 66.546 1.101 10.983 1.00 0.00 C ATOM 288 C GLY A 17 65.727 0.509 9.840 1.00 0.00 C ATOM 289 O GLY A 17 65.357 -0.648 9.870 1.00 0.00 O ATOM 0 H GLY A 17 66.584 2.997 9.997 1.00 0.00 H new ATOM 0 HA2 GLY A 17 67.310 0.391 11.300 1.00 0.00 H new ATOM 0 HA3 GLY A 17 65.904 1.285 11.845 1.00 0.00 H new ATOM 293 N LYS A 18 65.435 1.281 8.828 1.00 0.00 N ATOM 294 CA LYS A 18 64.634 0.729 7.697 1.00 0.00 C ATOM 295 C LYS A 18 65.257 -0.584 7.233 1.00 0.00 C ATOM 296 O LYS A 18 66.419 -0.640 6.884 1.00 0.00 O ATOM 297 CB LYS A 18 64.603 1.724 6.516 1.00 0.00 C ATOM 298 CG LYS A 18 64.758 3.151 7.039 1.00 0.00 C ATOM 299 CD LYS A 18 63.732 3.435 8.165 1.00 0.00 C ATOM 300 CE LYS A 18 63.231 4.883 8.075 1.00 0.00 C ATOM 301 NZ LYS A 18 62.341 5.026 6.888 1.00 0.00 N ATOM 0 H LYS A 18 65.712 2.258 8.735 1.00 0.00 H new ATOM 0 HA LYS A 18 63.613 0.560 8.040 1.00 0.00 H new ATOM 0 HB2 LYS A 18 65.405 1.495 5.814 1.00 0.00 H new ATOM 0 HB3 LYS A 18 63.664 1.626 5.971 1.00 0.00 H new ATOM 0 HG2 LYS A 18 65.770 3.298 7.417 1.00 0.00 H new ATOM 0 HG3 LYS A 18 64.616 3.860 6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 18 62.891 2.746 8.083 1.00 0.00 H new ATOM 0 HD3 LYS A 18 64.192 3.262 9.138 1.00 0.00 H new ATOM 0 HE2 LYS A 18 62.690 5.149 8.983 1.00 0.00 H new ATOM 0 HE3 LYS A 18 64.076 5.567 7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 61.708 5.840 7.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 62.919 5.176 6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 61.774 4.162 6.773 1.00 0.00 H new ATOM 315 N ASN A 19 64.487 -1.635 7.184 1.00 0.00 N ATOM 316 CA ASN A 19 65.044 -2.921 6.693 1.00 0.00 C ATOM 317 C ASN A 19 65.481 -2.699 5.248 1.00 0.00 C ATOM 318 O ASN A 19 66.007 -3.576 4.593 1.00 0.00 O ATOM 319 CB ASN A 19 63.965 -4.002 6.746 1.00 0.00 C ATOM 320 CG ASN A 19 63.834 -4.535 8.174 1.00 0.00 C ATOM 321 OD1 ASN A 19 64.660 -4.251 9.020 1.00 0.00 O ATOM 322 ND2 ASN A 19 62.824 -5.301 8.482 1.00 0.00 N ATOM 0 H ASN A 19 63.505 -1.658 7.460 1.00 0.00 H new ATOM 0 HA ASN A 19 65.884 -3.243 7.308 1.00 0.00 H new ATOM 0 HB2 ASN A 19 63.011 -3.593 6.412 1.00 0.00 H new ATOM 0 HB3 ASN A 19 64.219 -4.816 6.066 1.00 0.00 H new ATOM 0 HD21 ASN A 19 62.728 -5.661 9.432 1.00 0.00 H new ATOM 0 HD22 ASN A 19 62.130 -5.540 7.773 1.00 0.00 H new ATOM 329 N LYS A 20 65.249 -1.514 4.757 1.00 0.00 N ATOM 330 CA LYS A 20 65.621 -1.177 3.363 1.00 0.00 C ATOM 331 C LYS A 20 67.145 -1.180 3.220 1.00 0.00 C ATOM 332 O LYS A 20 67.870 -1.523 4.132 1.00 0.00 O ATOM 333 CB LYS A 20 65.054 0.221 3.030 1.00 0.00 C ATOM 334 CG LYS A 20 64.391 0.222 1.643 1.00 0.00 C ATOM 335 CD LYS A 20 62.977 -0.394 1.725 1.00 0.00 C ATOM 336 CE LYS A 20 61.933 0.700 1.983 1.00 0.00 C ATOM 337 NZ LYS A 20 62.489 1.726 2.910 1.00 0.00 N ATOM 0 H LYS A 20 64.809 -0.754 5.276 1.00 0.00 H new ATOM 0 HA LYS A 20 65.209 -1.914 2.674 1.00 0.00 H new ATOM 0 HB2 LYS A 20 64.326 0.513 3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 20 65.855 0.960 3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 20 64.330 1.242 1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 20 65.002 -0.344 0.940 1.00 0.00 H new ATOM 0 HD2 LYS A 20 62.746 -0.915 0.796 1.00 0.00 H new ATOM 0 HD3 LYS A 20 62.942 -1.135 2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 20 61.643 1.167 1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 20 61.032 0.261 2.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 61.764 2.445 3.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 62.775 1.271 3.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 63.316 2.179 2.471 1.00 0.00 H new ATOM 351 N LEU A 21 67.620 -0.791 2.070 1.00 0.00 N ATOM 352 CA LEU A 21 69.094 -0.749 1.808 1.00 0.00 C ATOM 353 C LEU A 21 69.401 0.509 0.992 1.00 0.00 C ATOM 354 O LEU A 21 68.530 1.057 0.345 1.00 0.00 O ATOM 355 CB LEU A 21 69.555 -1.988 1.004 1.00 0.00 C ATOM 356 CG LEU A 21 68.860 -3.275 1.491 1.00 0.00 C ATOM 357 CD1 LEU A 21 69.029 -4.382 0.444 1.00 0.00 C ATOM 358 CD2 LEU A 21 69.492 -3.740 2.809 1.00 0.00 C ATOM 0 H LEU A 21 67.042 -0.494 1.284 1.00 0.00 H new ATOM 0 HA LEU A 21 69.622 -0.742 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 21 69.340 -1.836 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 21 70.635 -2.100 1.096 1.00 0.00 H new ATOM 0 HG LEU A 21 67.801 -3.068 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 21 68.536 -5.290 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 21 68.581 -4.064 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 21 70.090 -4.580 0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 21 68.997 -4.650 3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 21 70.552 -3.940 2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 21 69.376 -2.961 3.563 1.00 0.00 H new ATOM 370 N VAL A 22 70.631 0.973 1.016 1.00 0.00 N ATOM 371 CA VAL A 22 70.996 2.206 0.235 1.00 0.00 C ATOM 372 C VAL A 22 72.218 1.898 -0.677 1.00 0.00 C ATOM 373 O VAL A 22 73.288 1.640 -0.163 1.00 0.00 O ATOM 374 CB VAL A 22 71.353 3.332 1.243 1.00 0.00 C ATOM 375 CG1 VAL A 22 72.387 4.306 0.653 1.00 0.00 C ATOM 376 CG2 VAL A 22 70.087 4.121 1.595 1.00 0.00 C ATOM 0 H VAL A 22 71.398 0.553 1.541 1.00 0.00 H new ATOM 0 HA VAL A 22 70.163 2.521 -0.393 1.00 0.00 H new ATOM 0 HB VAL A 22 71.777 2.864 2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 22 72.615 5.082 1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 22 73.299 3.762 0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 22 71.981 4.765 -0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 22 70.336 4.912 2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 22 69.670 4.562 0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 22 69.354 3.451 2.043 1.00 0.00 H new ATOM 386 N PRO A 23 72.059 1.959 -1.999 1.00 0.00 N ATOM 387 CA PRO A 23 73.195 1.714 -2.913 1.00 0.00 C ATOM 388 C PRO A 23 74.346 2.680 -2.607 1.00 0.00 C ATOM 389 O PRO A 23 74.139 3.814 -2.222 1.00 0.00 O ATOM 390 CB PRO A 23 72.628 1.986 -4.324 1.00 0.00 C ATOM 391 CG PRO A 23 71.088 2.016 -4.191 1.00 0.00 C ATOM 392 CD PRO A 23 70.775 2.231 -2.696 1.00 0.00 C ATOM 0 HA PRO A 23 73.595 0.705 -2.814 1.00 0.00 H new ATOM 0 HB2 PRO A 23 73.000 2.933 -4.714 1.00 0.00 H new ATOM 0 HB3 PRO A 23 72.940 1.209 -5.022 1.00 0.00 H new ATOM 0 HG2 PRO A 23 70.663 2.818 -4.794 1.00 0.00 H new ATOM 0 HG3 PRO A 23 70.651 1.083 -4.547 1.00 0.00 H new ATOM 0 HD2 PRO A 23 70.429 3.247 -2.506 1.00 0.00 H new ATOM 0 HD3 PRO A 23 69.989 1.557 -2.355 1.00 0.00 H new ATOM 400 N ARG A 24 75.555 2.235 -2.792 1.00 0.00 N ATOM 401 CA ARG A 24 76.729 3.115 -2.533 1.00 0.00 C ATOM 402 C ARG A 24 77.893 2.622 -3.397 1.00 0.00 C ATOM 403 O ARG A 24 77.977 1.454 -3.720 1.00 0.00 O ATOM 404 CB ARG A 24 77.095 3.057 -1.032 1.00 0.00 C ATOM 405 CG ARG A 24 77.587 4.434 -0.544 1.00 0.00 C ATOM 406 CD ARG A 24 76.391 5.364 -0.277 1.00 0.00 C ATOM 407 NE ARG A 24 76.833 6.563 0.512 1.00 0.00 N ATOM 408 CZ ARG A 24 77.378 6.454 1.696 1.00 0.00 C ATOM 409 NH1 ARG A 24 77.437 5.297 2.297 1.00 0.00 N ATOM 410 NH2 ARG A 24 77.826 7.519 2.301 1.00 0.00 N ATOM 0 H ARG A 24 75.783 1.294 -3.113 1.00 0.00 H new ATOM 0 HA ARG A 24 76.501 4.150 -2.787 1.00 0.00 H new ATOM 0 HB2 ARG A 24 76.226 2.748 -0.451 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.870 2.308 -0.869 1.00 0.00 H new ATOM 0 HG2 ARG A 24 78.175 4.316 0.366 1.00 0.00 H new ATOM 0 HG3 ARG A 24 78.243 4.879 -1.292 1.00 0.00 H new ATOM 0 HD2 ARG A 24 75.951 5.683 -1.222 1.00 0.00 H new ATOM 0 HD3 ARG A 24 75.617 4.825 0.269 1.00 0.00 H new ATOM 0 HE ARG A 24 76.704 7.492 0.112 1.00 0.00 H new ATOM 0 HH11 ARG A 24 77.056 4.467 1.843 1.00 0.00 H new ATOM 0 HH12 ARG A 24 77.864 5.223 3.220 1.00 0.00 H new ATOM 0 HH21 ARG A 24 77.750 8.431 1.851 1.00 0.00 H new ATOM 0 HH22 ARG A 24 78.252 7.440 3.224 1.00 0.00 H new ATOM 424 N LEU A 25 78.791 3.495 -3.764 1.00 0.00 N ATOM 425 CA LEU A 25 79.959 3.082 -4.597 1.00 0.00 C ATOM 426 C LEU A 25 81.200 3.078 -3.698 1.00 0.00 C ATOM 427 O LEU A 25 81.350 3.921 -2.836 1.00 0.00 O ATOM 428 CB LEU A 25 80.120 4.075 -5.750 1.00 0.00 C ATOM 429 CG LEU A 25 79.067 3.795 -6.835 1.00 0.00 C ATOM 430 CD1 LEU A 25 79.082 4.940 -7.855 1.00 0.00 C ATOM 431 CD2 LEU A 25 79.357 2.460 -7.553 1.00 0.00 C ATOM 0 H LEU A 25 78.766 4.485 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 25 79.816 2.087 -5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 25 80.011 5.095 -5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 25 81.121 3.994 -6.173 1.00 0.00 H new ATOM 0 HG LEU A 25 78.087 3.724 -6.363 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.338 4.749 -8.628 1.00 0.00 H new ATOM 0 HD12 LEU A 25 78.850 5.879 -7.352 1.00 0.00 H new ATOM 0 HD13 LEU A 25 80.070 5.008 -8.311 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.598 2.285 -8.316 1.00 0.00 H new ATOM 0 HD22 LEU A 25 80.340 2.505 -8.022 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.338 1.646 -6.829 1.00 0.00 H new ATOM 443 N LEU A 26 82.071 2.111 -3.869 1.00 0.00 N ATOM 444 CA LEU A 26 83.294 2.010 -3.002 1.00 0.00 C ATOM 445 C LEU A 26 84.555 1.969 -3.870 1.00 0.00 C ATOM 446 O LEU A 26 84.829 1.001 -4.551 1.00 0.00 O ATOM 447 CB LEU A 26 83.191 0.725 -2.167 1.00 0.00 C ATOM 448 CG LEU A 26 84.519 0.426 -1.458 1.00 0.00 C ATOM 449 CD1 LEU A 26 85.030 1.681 -0.742 1.00 0.00 C ATOM 450 CD2 LEU A 26 84.298 -0.692 -0.436 1.00 0.00 C ATOM 0 H LEU A 26 81.988 1.381 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 26 83.357 2.879 -2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 26 82.395 0.828 -1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 26 82.921 -0.112 -2.811 1.00 0.00 H new ATOM 0 HG LEU A 26 85.260 0.116 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 26 85.973 1.457 -0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 26 85.186 2.477 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 26 84.296 2.003 -0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 26 85.237 -0.911 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 26 83.555 -0.375 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 26 83.945 -1.588 -0.947 1.00 0.00 H new ATOM 462 N GLY A 27 85.314 3.029 -3.840 1.00 0.00 N ATOM 463 CA GLY A 27 86.565 3.113 -4.647 1.00 0.00 C ATOM 464 C GLY A 27 87.759 2.557 -3.873 1.00 0.00 C ATOM 465 O GLY A 27 88.005 2.919 -2.739 1.00 0.00 O ATOM 0 H GLY A 27 85.116 3.857 -3.279 1.00 0.00 H new ATOM 0 HA2 GLY A 27 86.440 2.557 -5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 27 86.756 4.151 -4.920 1.00 0.00 H new ATOM 469 N ILE A 28 88.518 1.694 -4.504 1.00 0.00 N ATOM 470 CA ILE A 28 89.731 1.108 -3.854 1.00 0.00 C ATOM 471 C ILE A 28 90.954 1.631 -4.609 1.00 0.00 C ATOM 472 O ILE A 28 91.175 1.289 -5.754 1.00 0.00 O ATOM 473 CB ILE A 28 89.699 -0.427 -3.956 1.00 0.00 C ATOM 474 CG1 ILE A 28 88.559 -1.000 -3.090 1.00 0.00 C ATOM 475 CG2 ILE A 28 91.037 -0.989 -3.462 1.00 0.00 C ATOM 476 CD1 ILE A 28 87.222 -0.920 -3.835 1.00 0.00 C ATOM 0 H ILE A 28 88.345 1.367 -5.455 1.00 0.00 H new ATOM 0 HA ILE A 28 89.765 1.387 -2.801 1.00 0.00 H new ATOM 0 HB ILE A 28 89.530 -0.711 -4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 28 88.776 -2.037 -2.833 1.00 0.00 H new ATOM 0 HG13 ILE A 28 88.493 -0.446 -2.153 1.00 0.00 H new ATOM 0 HG21 ILE A 28 91.022 -2.077 -3.531 1.00 0.00 H new ATOM 0 HG22 ILE A 28 91.846 -0.597 -4.078 1.00 0.00 H new ATOM 0 HG23 ILE A 28 91.195 -0.693 -2.425 1.00 0.00 H new ATOM 0 HD11 ILE A 28 86.431 -1.329 -3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 28 86.998 0.121 -4.069 1.00 0.00 H new ATOM 0 HD13 ILE A 28 87.285 -1.494 -4.759 1.00 0.00 H new ATOM 488 N THR A 29 91.749 2.461 -3.990 1.00 0.00 N ATOM 489 CA THR A 29 92.949 3.006 -4.691 1.00 0.00 C ATOM 490 C THR A 29 94.157 2.116 -4.395 1.00 0.00 C ATOM 491 O THR A 29 94.116 1.262 -3.534 1.00 0.00 O ATOM 492 CB THR A 29 93.219 4.436 -4.198 1.00 0.00 C ATOM 493 OG1 THR A 29 91.980 5.093 -3.969 1.00 0.00 O ATOM 494 CG2 THR A 29 94.019 5.211 -5.251 1.00 0.00 C ATOM 0 H THR A 29 91.621 2.785 -3.031 1.00 0.00 H new ATOM 0 HA THR A 29 92.772 3.024 -5.766 1.00 0.00 H new ATOM 0 HB THR A 29 93.794 4.395 -3.273 1.00 0.00 H new ATOM 0 HG1 THR A 29 91.624 4.825 -3.096 1.00 0.00 H new ATOM 0 HG21 THR A 29 94.206 6.224 -4.893 1.00 0.00 H new ATOM 0 HG22 THR A 29 94.969 4.708 -5.429 1.00 0.00 H new ATOM 0 HG23 THR A 29 93.451 5.254 -6.181 1.00 0.00 H new ATOM 502 N LYS A 30 95.231 2.313 -5.104 1.00 0.00 N ATOM 503 CA LYS A 30 96.443 1.485 -4.869 1.00 0.00 C ATOM 504 C LYS A 30 97.129 1.951 -3.587 1.00 0.00 C ATOM 505 O LYS A 30 98.100 1.371 -3.143 1.00 0.00 O ATOM 506 CB LYS A 30 97.397 1.649 -6.057 1.00 0.00 C ATOM 507 CG LYS A 30 97.325 3.094 -6.558 1.00 0.00 C ATOM 508 CD LYS A 30 98.537 3.402 -7.438 1.00 0.00 C ATOM 509 CE LYS A 30 98.469 4.859 -7.905 1.00 0.00 C ATOM 510 NZ LYS A 30 98.928 5.755 -6.806 1.00 0.00 N ATOM 0 H LYS A 30 95.322 3.015 -5.839 1.00 0.00 H new ATOM 0 HA LYS A 30 96.165 0.436 -4.768 1.00 0.00 H new ATOM 0 HB2 LYS A 30 98.416 1.405 -5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 30 97.125 0.959 -6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 30 96.406 3.246 -7.124 1.00 0.00 H new ATOM 0 HG3 LYS A 30 97.296 3.780 -5.712 1.00 0.00 H new ATOM 0 HD2 LYS A 30 99.458 3.230 -6.881 1.00 0.00 H new ATOM 0 HD3 LYS A 30 98.555 2.733 -8.298 1.00 0.00 H new ATOM 0 HE2 LYS A 30 99.094 4.999 -8.787 1.00 0.00 H new ATOM 0 HE3 LYS A 30 97.449 5.112 -8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 98.963 6.736 -7.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 98.266 5.691 -6.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 99.876 5.464 -6.494 1.00 0.00 H new ATOM 524 N GLU A 31 96.636 3.004 -2.993 1.00 0.00 N ATOM 525 CA GLU A 31 97.259 3.525 -1.743 1.00 0.00 C ATOM 526 C GLU A 31 96.179 4.043 -0.794 1.00 0.00 C ATOM 527 O GLU A 31 96.476 4.625 0.231 1.00 0.00 O ATOM 528 CB GLU A 31 98.206 4.668 -2.103 1.00 0.00 C ATOM 529 CG GLU A 31 99.302 4.149 -3.029 1.00 0.00 C ATOM 530 CD GLU A 31 100.465 5.143 -3.066 1.00 0.00 C ATOM 531 OE1 GLU A 31 100.319 6.216 -2.503 1.00 0.00 O ATOM 532 OE2 GLU A 31 101.482 4.815 -3.656 1.00 0.00 O ATOM 0 H GLU A 31 95.825 3.528 -3.322 1.00 0.00 H new ATOM 0 HA GLU A 31 97.808 2.723 -1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 31 97.654 5.472 -2.590 1.00 0.00 H new ATOM 0 HB3 GLU A 31 98.647 5.087 -1.199 1.00 0.00 H new ATOM 0 HG2 GLU A 31 99.653 3.177 -2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 31 98.904 4.004 -4.033 1.00 0.00 H new ATOM 539 N CYS A 32 94.928 3.845 -1.114 1.00 0.00 N ATOM 540 CA CYS A 32 93.860 4.344 -0.201 1.00 0.00 C ATOM 541 C CYS A 32 92.482 3.817 -0.633 1.00 0.00 C ATOM 542 O CYS A 32 92.275 3.414 -1.760 1.00 0.00 O ATOM 543 CB CYS A 32 93.856 5.891 -0.222 1.00 0.00 C ATOM 544 SG CYS A 32 94.569 6.483 -1.777 1.00 0.00 S ATOM 0 H CYS A 32 94.603 3.367 -1.954 1.00 0.00 H new ATOM 0 HA CYS A 32 94.063 3.985 0.808 1.00 0.00 H new ATOM 0 HB2 CYS A 32 92.837 6.263 -0.113 1.00 0.00 H new ATOM 0 HB3 CYS A 32 94.428 6.277 0.622 1.00 0.00 H new ATOM 0 HG CYS A 32 94.562 7.783 -1.791 1.00 0.00 H new ATOM 550 N VAL A 33 91.536 3.859 0.274 1.00 0.00 N ATOM 551 CA VAL A 33 90.140 3.410 -0.026 1.00 0.00 C ATOM 552 C VAL A 33 89.243 4.633 0.131 1.00 0.00 C ATOM 553 O VAL A 33 89.548 5.516 0.908 1.00 0.00 O ATOM 554 CB VAL A 33 89.716 2.330 0.974 1.00 0.00 C ATOM 555 CG1 VAL A 33 88.268 1.912 0.701 1.00 0.00 C ATOM 556 CG2 VAL A 33 90.636 1.114 0.830 1.00 0.00 C ATOM 0 H VAL A 33 91.676 4.192 1.228 1.00 0.00 H new ATOM 0 HA VAL A 33 90.069 2.993 -1.031 1.00 0.00 H new ATOM 0 HB VAL A 33 89.790 2.726 1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 33 87.970 1.144 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 33 87.614 2.777 0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 33 88.188 1.517 -0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 33 90.336 0.344 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 33 90.562 0.720 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 33 91.666 1.411 1.030 1.00 0.00 H new ATOM 566 N MET A 34 88.161 4.733 -0.605 1.00 0.00 N ATOM 567 CA MET A 34 87.300 5.954 -0.473 1.00 0.00 C ATOM 568 C MET A 34 85.827 5.607 -0.555 1.00 0.00 C ATOM 569 O MET A 34 85.426 4.655 -1.190 1.00 0.00 O ATOM 570 CB MET A 34 87.648 6.945 -1.587 1.00 0.00 C ATOM 571 CG MET A 34 87.759 6.201 -2.918 1.00 0.00 C ATOM 572 SD MET A 34 87.697 7.389 -4.281 1.00 0.00 S ATOM 573 CE MET A 34 89.438 7.880 -4.232 1.00 0.00 C ATOM 0 H MET A 34 87.840 4.038 -1.279 1.00 0.00 H new ATOM 0 HA MET A 34 87.492 6.398 0.504 1.00 0.00 H new ATOM 0 HB2 MET A 34 86.882 7.717 -1.653 1.00 0.00 H new ATOM 0 HB3 MET A 34 88.588 7.448 -1.360 1.00 0.00 H new ATOM 0 HG2 MET A 34 88.691 5.637 -2.955 1.00 0.00 H new ATOM 0 HG3 MET A 34 86.947 5.480 -3.013 1.00 0.00 H new ATOM 0 HE1 MET A 34 89.628 8.624 -5.006 1.00 0.00 H new ATOM 0 HE2 MET A 34 89.669 8.305 -3.255 1.00 0.00 H new ATOM 0 HE3 MET A 34 90.067 7.007 -4.405 1.00 0.00 H new ATOM 583 N ARG A 35 85.012 6.409 0.076 1.00 0.00 N ATOM 584 CA ARG A 35 83.544 6.159 0.028 1.00 0.00 C ATOM 585 C ARG A 35 82.994 6.944 -1.150 1.00 0.00 C ATOM 586 O ARG A 35 83.368 8.078 -1.376 1.00 0.00 O ATOM 587 CB ARG A 35 82.874 6.674 1.305 1.00 0.00 C ATOM 588 CG ARG A 35 83.111 5.697 2.460 1.00 0.00 C ATOM 589 CD ARG A 35 82.207 6.082 3.633 1.00 0.00 C ATOM 590 NE ARG A 35 82.162 7.567 3.752 1.00 0.00 N ATOM 591 CZ ARG A 35 81.260 8.137 4.504 1.00 0.00 C ATOM 592 NH1 ARG A 35 80.388 7.409 5.147 1.00 0.00 N ATOM 593 NH2 ARG A 35 81.230 9.437 4.612 1.00 0.00 N ATOM 0 H ARG A 35 85.298 7.223 0.620 1.00 0.00 H new ATOM 0 HA ARG A 35 83.350 5.091 -0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.272 7.656 1.562 1.00 0.00 H new ATOM 0 HB3 ARG A 35 81.804 6.798 1.138 1.00 0.00 H new ATOM 0 HG2 ARG A 35 82.898 4.677 2.140 1.00 0.00 H new ATOM 0 HG3 ARG A 35 84.157 5.723 2.766 1.00 0.00 H new ATOM 0 HD2 ARG A 35 81.203 5.687 3.478 1.00 0.00 H new ATOM 0 HD3 ARG A 35 82.583 5.643 4.557 1.00 0.00 H new ATOM 0 HE ARG A 35 82.837 8.139 3.245 1.00 0.00 H new ATOM 0 HH11 ARG A 35 80.411 6.393 5.062 1.00 0.00 H new ATOM 0 HH12 ARG A 35 79.684 7.856 5.734 1.00 0.00 H new ATOM 0 HH21 ARG A 35 81.911 10.006 4.109 1.00 0.00 H new ATOM 0 HH22 ARG A 35 80.526 9.884 5.199 1.00 0.00 H new ATOM 607 N VAL A 36 82.121 6.349 -1.915 1.00 0.00 N ATOM 608 CA VAL A 36 81.556 7.054 -3.095 1.00 0.00 C ATOM 609 C VAL A 36 80.050 6.804 -3.153 1.00 0.00 C ATOM 610 O VAL A 36 79.596 5.679 -3.132 1.00 0.00 O ATOM 611 CB VAL A 36 82.232 6.523 -4.360 1.00 0.00 C ATOM 612 CG1 VAL A 36 81.753 7.318 -5.577 1.00 0.00 C ATOM 613 CG2 VAL A 36 83.750 6.672 -4.224 1.00 0.00 C ATOM 0 H VAL A 36 81.774 5.401 -1.771 1.00 0.00 H new ATOM 0 HA VAL A 36 81.734 8.127 -3.018 1.00 0.00 H new ATOM 0 HB VAL A 36 81.974 5.472 -4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 36 82.238 6.936 -6.475 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.672 7.216 -5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 36 82.007 8.370 -5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 36 84.235 6.294 -5.124 1.00 0.00 H new ATOM 0 HG22 VAL A 36 84.002 7.724 -4.090 1.00 0.00 H new ATOM 0 HG23 VAL A 36 84.095 6.104 -3.360 1.00 0.00 H new ATOM 623 N ASP A 37 79.273 7.848 -3.220 1.00 0.00 N ATOM 624 CA ASP A 37 77.797 7.675 -3.276 1.00 0.00 C ATOM 625 C ASP A 37 77.409 7.132 -4.645 1.00 0.00 C ATOM 626 O ASP A 37 78.032 7.428 -5.637 1.00 0.00 O ATOM 627 CB ASP A 37 77.115 9.027 -3.048 1.00 0.00 C ATOM 628 CG ASP A 37 75.636 8.808 -2.726 1.00 0.00 C ATOM 629 OD1 ASP A 37 75.182 7.683 -2.852 1.00 0.00 O ATOM 630 OD2 ASP A 37 74.982 9.770 -2.358 1.00 0.00 O ATOM 0 H ASP A 37 79.598 8.815 -3.238 1.00 0.00 H new ATOM 0 HA ASP A 37 77.479 6.977 -2.502 1.00 0.00 H new ATOM 0 HB2 ASP A 37 77.601 9.557 -2.229 1.00 0.00 H new ATOM 0 HB3 ASP A 37 77.216 9.651 -3.936 1.00 0.00 H new ATOM 635 N GLU A 38 76.375 6.349 -4.708 1.00 0.00 N ATOM 636 CA GLU A 38 75.931 5.795 -6.015 1.00 0.00 C ATOM 637 C GLU A 38 74.952 6.787 -6.612 1.00 0.00 C ATOM 638 O GLU A 38 74.704 6.830 -7.800 1.00 0.00 O ATOM 639 CB GLU A 38 75.239 4.459 -5.757 1.00 0.00 C ATOM 640 CG GLU A 38 75.126 3.651 -7.047 1.00 0.00 C ATOM 641 CD GLU A 38 74.094 4.296 -7.973 1.00 0.00 C ATOM 642 OE1 GLU A 38 72.929 4.314 -7.609 1.00 0.00 O ATOM 643 OE2 GLU A 38 74.485 4.762 -9.031 1.00 0.00 O ATOM 0 H GLU A 38 75.813 6.066 -3.906 1.00 0.00 H new ATOM 0 HA GLU A 38 76.766 5.637 -6.697 1.00 0.00 H new ATOM 0 HB2 GLU A 38 75.800 3.891 -5.014 1.00 0.00 H new ATOM 0 HB3 GLU A 38 74.246 4.632 -5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 38 76.095 3.604 -7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 38 74.834 2.626 -6.820 1.00 0.00 H new ATOM 650 N LYS A 39 74.405 7.584 -5.759 1.00 0.00 N ATOM 651 CA LYS A 39 73.431 8.609 -6.178 1.00 0.00 C ATOM 652 C LYS A 39 74.156 9.747 -6.892 1.00 0.00 C ATOM 653 O LYS A 39 73.794 10.143 -7.982 1.00 0.00 O ATOM 654 CB LYS A 39 72.759 9.145 -4.921 1.00 0.00 C ATOM 655 CG LYS A 39 71.672 10.154 -5.293 1.00 0.00 C ATOM 656 CD LYS A 39 71.049 10.716 -4.016 1.00 0.00 C ATOM 657 CE LYS A 39 69.838 11.581 -4.370 1.00 0.00 C ATOM 658 NZ LYS A 39 69.469 12.418 -3.195 1.00 0.00 N ATOM 0 H LYS A 39 74.598 7.568 -4.757 1.00 0.00 H new ATOM 0 HA LYS A 39 72.695 8.182 -6.859 1.00 0.00 H new ATOM 0 HB2 LYS A 39 72.323 8.322 -4.354 1.00 0.00 H new ATOM 0 HB3 LYS A 39 73.500 9.619 -4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 39 72.097 10.961 -5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 39 70.908 9.674 -5.904 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.746 9.901 -3.359 1.00 0.00 H new ATOM 0 HD3 LYS A 39 71.784 11.308 -3.471 1.00 0.00 H new ATOM 0 HE2 LYS A 39 70.068 12.216 -5.225 1.00 0.00 H new ATOM 0 HE3 LYS A 39 68.998 10.950 -4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 68.646 13.007 -3.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 69.233 11.802 -2.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 70.270 13.030 -2.939 1.00 0.00 H new ATOM 672 N THR A 40 75.169 10.286 -6.268 1.00 0.00 N ATOM 673 CA THR A 40 75.926 11.422 -6.878 1.00 0.00 C ATOM 674 C THR A 40 77.261 10.933 -7.455 1.00 0.00 C ATOM 675 O THR A 40 77.984 11.691 -8.069 1.00 0.00 O ATOM 676 CB THR A 40 76.194 12.476 -5.794 1.00 0.00 C ATOM 677 OG1 THR A 40 75.033 12.626 -4.990 1.00 0.00 O ATOM 678 CG2 THR A 40 76.539 13.816 -6.446 1.00 0.00 C ATOM 0 H THR A 40 75.509 9.987 -5.354 1.00 0.00 H new ATOM 0 HA THR A 40 75.336 11.852 -7.687 1.00 0.00 H new ATOM 0 HB THR A 40 77.032 12.153 -5.175 1.00 0.00 H new ATOM 0 HG1 THR A 40 75.200 13.297 -4.296 1.00 0.00 H new ATOM 0 HG21 THR A 40 76.728 14.559 -5.672 1.00 0.00 H new ATOM 0 HG22 THR A 40 77.429 13.701 -7.064 1.00 0.00 H new ATOM 0 HG23 THR A 40 75.706 14.143 -7.068 1.00 0.00 H new ATOM 686 N LYS A 41 77.606 9.683 -7.274 1.00 0.00 N ATOM 687 CA LYS A 41 78.905 9.208 -7.833 1.00 0.00 C ATOM 688 C LYS A 41 80.027 10.128 -7.348 1.00 0.00 C ATOM 689 O LYS A 41 81.081 10.209 -7.947 1.00 0.00 O ATOM 690 CB LYS A 41 78.836 9.238 -9.360 1.00 0.00 C ATOM 691 CG LYS A 41 77.511 8.625 -9.815 1.00 0.00 C ATOM 692 CD LYS A 41 77.559 8.354 -11.320 1.00 0.00 C ATOM 693 CE LYS A 41 77.990 9.622 -12.065 1.00 0.00 C ATOM 694 NZ LYS A 41 77.595 9.515 -13.498 1.00 0.00 N ATOM 0 H LYS A 41 77.056 8.984 -6.774 1.00 0.00 H new ATOM 0 HA LYS A 41 79.103 8.189 -7.500 1.00 0.00 H new ATOM 0 HB2 LYS A 41 78.919 10.264 -9.720 1.00 0.00 H new ATOM 0 HB3 LYS A 41 79.672 8.683 -9.785 1.00 0.00 H new ATOM 0 HG2 LYS A 41 77.324 7.697 -9.274 1.00 0.00 H new ATOM 0 HG3 LYS A 41 76.688 9.301 -9.583 1.00 0.00 H new ATOM 0 HD2 LYS A 41 78.257 7.543 -11.530 1.00 0.00 H new ATOM 0 HD3 LYS A 41 76.579 8.031 -11.671 1.00 0.00 H new ATOM 0 HE2 LYS A 41 77.525 10.498 -11.613 1.00 0.00 H new ATOM 0 HE3 LYS A 41 79.069 9.756 -11.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 77.887 10.375 -14.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 78.059 8.688 -13.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 76.563 9.407 -13.566 1.00 0.00 H new ATOM 708 N GLU A 42 79.804 10.825 -6.262 1.00 0.00 N ATOM 709 CA GLU A 42 80.850 11.750 -5.721 1.00 0.00 C ATOM 710 C GLU A 42 81.626 11.031 -4.611 1.00 0.00 C ATOM 711 O GLU A 42 81.183 10.035 -4.089 1.00 0.00 O ATOM 712 CB GLU A 42 80.162 13.013 -5.158 1.00 0.00 C ATOM 713 CG GLU A 42 80.896 14.275 -5.618 1.00 0.00 C ATOM 714 CD GLU A 42 80.736 14.440 -7.130 1.00 0.00 C ATOM 715 OE1 GLU A 42 79.759 13.937 -7.661 1.00 0.00 O ATOM 716 OE2 GLU A 42 81.593 15.066 -7.731 1.00 0.00 O ATOM 0 H GLU A 42 78.938 10.794 -5.723 1.00 0.00 H new ATOM 0 HA GLU A 42 81.543 12.042 -6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 42 79.124 13.047 -5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 42 80.147 12.971 -4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 42 80.496 15.148 -5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 42 81.953 14.208 -5.359 1.00 0.00 H new ATOM 723 N VAL A 43 82.774 11.538 -4.247 1.00 0.00 N ATOM 724 CA VAL A 43 83.578 10.889 -3.166 1.00 0.00 C ATOM 725 C VAL A 43 83.116 11.411 -1.806 1.00 0.00 C ATOM 726 O VAL A 43 83.066 12.602 -1.574 1.00 0.00 O ATOM 727 CB VAL A 43 85.062 11.218 -3.361 1.00 0.00 C ATOM 728 CG1 VAL A 43 85.868 10.688 -2.172 1.00 0.00 C ATOM 729 CG2 VAL A 43 85.568 10.561 -4.647 1.00 0.00 C ATOM 0 H VAL A 43 83.192 12.376 -4.652 1.00 0.00 H new ATOM 0 HA VAL A 43 83.438 9.809 -3.209 1.00 0.00 H new ATOM 0 HB VAL A 43 85.183 12.299 -3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 43 86.923 10.923 -2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 43 85.512 11.155 -1.254 1.00 0.00 H new ATOM 0 HG13 VAL A 43 85.744 9.607 -2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 43 86.623 10.796 -4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 43 85.443 9.480 -4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 43 84.999 10.938 -5.497 1.00 0.00 H new ATOM 739 N ILE A 44 82.773 10.524 -0.904 1.00 0.00 N ATOM 740 CA ILE A 44 82.307 10.958 0.445 1.00 0.00 C ATOM 741 C ILE A 44 83.443 10.828 1.463 1.00 0.00 C ATOM 742 O ILE A 44 83.479 11.536 2.449 1.00 0.00 O ATOM 743 CB ILE A 44 81.130 10.084 0.877 1.00 0.00 C ATOM 744 CG1 ILE A 44 80.118 9.977 -0.274 1.00 0.00 C ATOM 745 CG2 ILE A 44 80.454 10.708 2.101 1.00 0.00 C ATOM 746 CD1 ILE A 44 79.758 11.373 -0.796 1.00 0.00 C ATOM 0 H ILE A 44 82.797 9.514 -1.047 1.00 0.00 H new ATOM 0 HA ILE A 44 81.994 12.001 0.397 1.00 0.00 H new ATOM 0 HB ILE A 44 81.491 9.088 1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 44 80.537 9.376 -1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 44 79.218 9.466 0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 44 79.614 10.085 2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 44 81.173 10.779 2.917 1.00 0.00 H new ATOM 0 HG23 ILE A 44 80.093 11.705 1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 44 79.040 11.283 -1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 44 79.319 11.961 0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 44 80.658 11.869 -1.159 1.00 0.00 H new ATOM 758 N GLN A 45 84.376 9.934 1.246 1.00 0.00 N ATOM 759 CA GLN A 45 85.495 9.790 2.232 1.00 0.00 C ATOM 760 C GLN A 45 86.735 9.175 1.572 1.00 0.00 C ATOM 761 O GLN A 45 86.691 8.646 0.480 1.00 0.00 O ATOM 762 CB GLN A 45 85.048 8.913 3.408 1.00 0.00 C ATOM 763 CG GLN A 45 86.088 8.968 4.543 1.00 0.00 C ATOM 764 CD GLN A 45 85.426 8.592 5.871 1.00 0.00 C ATOM 765 OE1 GLN A 45 84.409 7.928 5.891 1.00 0.00 O ATOM 766 NE2 GLN A 45 85.965 8.996 6.988 1.00 0.00 N ATOM 0 H GLN A 45 84.414 9.306 0.443 1.00 0.00 H new ATOM 0 HA GLN A 45 85.755 10.784 2.597 1.00 0.00 H new ATOM 0 HB2 GLN A 45 84.080 9.253 3.776 1.00 0.00 H new ATOM 0 HB3 GLN A 45 84.919 7.884 3.074 1.00 0.00 H new ATOM 0 HG2 GLN A 45 86.910 8.284 4.329 1.00 0.00 H new ATOM 0 HG3 GLN A 45 86.515 9.969 4.609 1.00 0.00 H new ATOM 0 HE21 GLN A 45 86.819 9.553 6.970 1.00 0.00 H new ATOM 0 HE22 GLN A 45 85.533 8.754 7.880 1.00 0.00 H new ATOM 775 N GLU A 46 87.842 9.262 2.256 1.00 0.00 N ATOM 776 CA GLU A 46 89.140 8.717 1.748 1.00 0.00 C ATOM 777 C GLU A 46 89.888 8.061 2.918 1.00 0.00 C ATOM 778 O GLU A 46 89.882 8.561 4.025 1.00 0.00 O ATOM 779 CB GLU A 46 89.983 9.869 1.171 1.00 0.00 C ATOM 780 CG GLU A 46 89.652 10.064 -0.311 1.00 0.00 C ATOM 781 CD GLU A 46 90.339 11.330 -0.826 1.00 0.00 C ATOM 782 OE1 GLU A 46 89.760 12.394 -0.682 1.00 0.00 O ATOM 783 OE2 GLU A 46 91.432 11.214 -1.355 1.00 0.00 O ATOM 0 H GLU A 46 87.905 9.701 3.174 1.00 0.00 H new ATOM 0 HA GLU A 46 88.960 7.979 0.966 1.00 0.00 H new ATOM 0 HB2 GLU A 46 89.784 10.788 1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 46 91.044 9.650 1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 46 89.983 9.199 -0.885 1.00 0.00 H new ATOM 0 HG3 GLU A 46 88.573 10.142 -0.446 1.00 0.00 H new ATOM 790 N TRP A 47 90.532 6.944 2.681 1.00 0.00 N ATOM 791 CA TRP A 47 91.284 6.253 3.776 1.00 0.00 C ATOM 792 C TRP A 47 92.601 5.710 3.227 1.00 0.00 C ATOM 793 O TRP A 47 92.716 5.413 2.060 1.00 0.00 O ATOM 794 CB TRP A 47 90.465 5.075 4.320 1.00 0.00 C ATOM 795 CG TRP A 47 89.318 5.548 5.166 1.00 0.00 C ATOM 796 CD1 TRP A 47 89.377 6.493 6.142 1.00 0.00 C ATOM 797 CD2 TRP A 47 87.938 5.079 5.143 1.00 0.00 C ATOM 798 NE1 TRP A 47 88.120 6.636 6.699 1.00 0.00 N ATOM 799 CE2 TRP A 47 87.203 5.787 6.121 1.00 0.00 C ATOM 800 CE3 TRP A 47 87.260 4.121 4.370 1.00 0.00 C ATOM 801 CZ2 TRP A 47 85.847 5.551 6.330 1.00 0.00 C ATOM 802 CZ3 TRP A 47 85.892 3.878 4.578 1.00 0.00 C ATOM 803 CH2 TRP A 47 85.188 4.593 5.557 1.00 0.00 C ATOM 0 H TRP A 47 90.569 6.479 1.774 1.00 0.00 H new ATOM 0 HA TRP A 47 91.472 6.971 4.574 1.00 0.00 H new ATOM 0 HB2 TRP A 47 90.085 4.480 3.489 1.00 0.00 H new ATOM 0 HB3 TRP A 47 91.110 4.424 4.910 1.00 0.00 H new ATOM 0 HD1 TRP A 47 90.260 7.041 6.434 1.00 0.00 H new ATOM 0 HE1 TRP A 47 87.898 7.292 7.448 1.00 0.00 H new ATOM 0 HE3 TRP A 47 87.794 3.568 3.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 85.309 6.105 7.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 85.381 3.137 3.981 1.00 0.00 H new ATOM 0 HH2 TRP A 47 84.136 4.403 5.713 1.00 0.00 H new ATOM 814 N SER A 48 93.586 5.554 4.070 1.00 0.00 N ATOM 815 CA SER A 48 94.894 5.002 3.607 1.00 0.00 C ATOM 816 C SER A 48 94.839 3.472 3.699 1.00 0.00 C ATOM 817 O SER A 48 94.261 2.919 4.614 1.00 0.00 O ATOM 818 CB SER A 48 96.023 5.547 4.491 1.00 0.00 C ATOM 819 OG SER A 48 95.543 5.710 5.818 1.00 0.00 O ATOM 0 H SER A 48 93.542 5.785 5.062 1.00 0.00 H new ATOM 0 HA SER A 48 95.086 5.299 2.576 1.00 0.00 H new ATOM 0 HB2 SER A 48 96.871 4.863 4.480 1.00 0.00 H new ATOM 0 HB3 SER A 48 96.378 6.501 4.101 1.00 0.00 H new ATOM 0 HG SER A 48 96.263 6.057 6.386 1.00 0.00 H new ATOM 825 N LEU A 49 95.425 2.784 2.757 1.00 0.00 N ATOM 826 CA LEU A 49 95.391 1.296 2.795 1.00 0.00 C ATOM 827 C LEU A 49 96.196 0.803 4.003 1.00 0.00 C ATOM 828 O LEU A 49 95.949 -0.262 4.533 1.00 0.00 O ATOM 829 CB LEU A 49 95.995 0.739 1.486 1.00 0.00 C ATOM 830 CG LEU A 49 94.883 0.490 0.445 1.00 0.00 C ATOM 831 CD1 LEU A 49 95.481 0.509 -0.968 1.00 0.00 C ATOM 832 CD2 LEU A 49 94.221 -0.875 0.701 1.00 0.00 C ATOM 0 H LEU A 49 95.925 3.188 1.965 1.00 0.00 H new ATOM 0 HA LEU A 49 94.362 0.948 2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 49 96.725 1.443 1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 49 96.526 -0.191 1.690 1.00 0.00 H new ATOM 0 HG LEU A 49 94.134 1.277 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.692 0.333 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 49 95.940 1.480 -1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 49 96.236 -0.272 -1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 49 93.437 -1.044 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 49 94.970 -1.663 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 49 93.786 -0.887 1.700 1.00 0.00 H new ATOM 844 N THR A 50 97.157 1.568 4.438 1.00 0.00 N ATOM 845 CA THR A 50 97.974 1.144 5.605 1.00 0.00 C ATOM 846 C THR A 50 97.162 1.327 6.887 1.00 0.00 C ATOM 847 O THR A 50 97.601 0.981 7.966 1.00 0.00 O ATOM 848 CB THR A 50 99.241 1.997 5.681 1.00 0.00 C ATOM 849 OG1 THR A 50 98.886 3.373 5.646 1.00 0.00 O ATOM 850 CG2 THR A 50 100.149 1.673 4.495 1.00 0.00 C ATOM 0 H THR A 50 97.411 2.470 4.034 1.00 0.00 H new ATOM 0 HA THR A 50 98.249 0.095 5.493 1.00 0.00 H new ATOM 0 HB THR A 50 99.770 1.781 6.609 1.00 0.00 H new ATOM 0 HG1 THR A 50 99.697 3.921 5.696 1.00 0.00 H new ATOM 0 HG21 THR A 50 101.051 2.282 4.551 1.00 0.00 H new ATOM 0 HG22 THR A 50 100.421 0.618 4.522 1.00 0.00 H new ATOM 0 HG23 THR A 50 99.623 1.888 3.565 1.00 0.00 H new ATOM 858 N ASN A 51 95.983 1.876 6.779 1.00 0.00 N ATOM 859 CA ASN A 51 95.141 2.094 7.993 1.00 0.00 C ATOM 860 C ASN A 51 94.278 0.859 8.260 1.00 0.00 C ATOM 861 O ASN A 51 93.894 0.592 9.381 1.00 0.00 O ATOM 862 CB ASN A 51 94.232 3.304 7.767 1.00 0.00 C ATOM 863 CG ASN A 51 93.613 3.737 9.098 1.00 0.00 C ATOM 864 OD1 ASN A 51 93.752 3.059 10.096 1.00 0.00 O ATOM 865 ND2 ASN A 51 92.930 4.847 9.153 1.00 0.00 N ATOM 0 H ASN A 51 95.564 2.184 5.901 1.00 0.00 H new ATOM 0 HA ASN A 51 95.790 2.271 8.851 1.00 0.00 H new ATOM 0 HB2 ASN A 51 94.804 4.126 7.336 1.00 0.00 H new ATOM 0 HB3 ASN A 51 93.447 3.054 7.054 1.00 0.00 H new ATOM 0 HD21 ASN A 51 92.513 5.146 10.034 1.00 0.00 H new ATOM 0 HD22 ASN A 51 92.813 5.416 8.315 1.00 0.00 H new ATOM 872 N ILE A 52 93.962 0.107 7.244 1.00 0.00 N ATOM 873 CA ILE A 52 93.115 -1.101 7.453 1.00 0.00 C ATOM 874 C ILE A 52 93.890 -2.146 8.262 1.00 0.00 C ATOM 875 O ILE A 52 94.987 -2.532 7.908 1.00 0.00 O ATOM 876 CB ILE A 52 92.718 -1.692 6.099 1.00 0.00 C ATOM 877 CG1 ILE A 52 92.077 -0.600 5.233 1.00 0.00 C ATOM 878 CG2 ILE A 52 91.716 -2.826 6.323 1.00 0.00 C ATOM 879 CD1 ILE A 52 91.824 -1.137 3.822 1.00 0.00 C ATOM 0 H ILE A 52 94.252 0.275 6.281 1.00 0.00 H new ATOM 0 HA ILE A 52 92.217 -0.817 8.001 1.00 0.00 H new ATOM 0 HB ILE A 52 93.601 -2.080 5.592 1.00 0.00 H new ATOM 0 HG12 ILE A 52 91.139 -0.272 5.681 1.00 0.00 H new ATOM 0 HG13 ILE A 52 92.730 0.271 5.188 1.00 0.00 H new ATOM 0 HG21 ILE A 52 91.428 -3.252 5.362 1.00 0.00 H new ATOM 0 HG22 ILE A 52 92.173 -3.599 6.941 1.00 0.00 H new ATOM 0 HG23 ILE A 52 90.831 -2.436 6.826 1.00 0.00 H new ATOM 0 HD11 ILE A 52 91.369 -0.357 3.212 1.00 0.00 H new ATOM 0 HD12 ILE A 52 92.770 -1.442 3.374 1.00 0.00 H new ATOM 0 HD13 ILE A 52 91.153 -1.995 3.874 1.00 0.00 H new ATOM 891 N LYS A 53 93.325 -2.607 9.350 1.00 0.00 N ATOM 892 CA LYS A 53 94.022 -3.629 10.190 1.00 0.00 C ATOM 893 C LYS A 53 93.648 -5.033 9.704 1.00 0.00 C ATOM 894 O LYS A 53 94.500 -5.873 9.492 1.00 0.00 O ATOM 895 CB LYS A 53 93.590 -3.465 11.650 1.00 0.00 C ATOM 896 CG LYS A 53 94.212 -4.579 12.497 1.00 0.00 C ATOM 897 CD LYS A 53 94.115 -4.214 13.981 1.00 0.00 C ATOM 898 CE LYS A 53 94.789 -5.301 14.822 1.00 0.00 C ATOM 899 NZ LYS A 53 95.027 -4.788 16.201 1.00 0.00 N ATOM 0 H LYS A 53 92.409 -2.319 9.693 1.00 0.00 H new ATOM 0 HA LYS A 53 95.100 -3.492 10.109 1.00 0.00 H new ATOM 0 HB2 LYS A 53 93.903 -2.491 12.025 1.00 0.00 H new ATOM 0 HB3 LYS A 53 92.503 -3.501 11.725 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.698 -5.522 12.310 1.00 0.00 H new ATOM 0 HG3 LYS A 53 95.255 -4.724 12.216 1.00 0.00 H new ATOM 0 HD2 LYS A 53 94.594 -3.251 14.161 1.00 0.00 H new ATOM 0 HD3 LYS A 53 93.070 -4.110 14.273 1.00 0.00 H new ATOM 0 HE2 LYS A 53 94.160 -6.191 14.857 1.00 0.00 H new ATOM 0 HE3 LYS A 53 95.733 -5.596 14.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 95.485 -5.527 16.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 95.643 -3.951 16.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 94.119 -4.527 16.636 1.00 0.00 H new ATOM 913 N ARG A 54 92.379 -5.293 9.528 1.00 0.00 N ATOM 914 CA ARG A 54 91.946 -6.643 9.054 1.00 0.00 C ATOM 915 C ARG A 54 90.622 -6.515 8.303 1.00 0.00 C ATOM 916 O ARG A 54 90.038 -5.452 8.227 1.00 0.00 O ATOM 917 CB ARG A 54 91.735 -7.572 10.259 1.00 0.00 C ATOM 918 CG ARG A 54 90.862 -6.867 11.314 1.00 0.00 C ATOM 919 CD ARG A 54 90.108 -7.896 12.164 1.00 0.00 C ATOM 920 NE ARG A 54 89.621 -7.231 13.407 1.00 0.00 N ATOM 921 CZ ARG A 54 88.749 -7.828 14.171 1.00 0.00 C ATOM 922 NH1 ARG A 54 88.313 -9.018 13.857 1.00 0.00 N ATOM 923 NH2 ARG A 54 88.312 -7.237 15.249 1.00 0.00 N ATOM 0 H ARG A 54 91.622 -4.629 9.692 1.00 0.00 H new ATOM 0 HA ARG A 54 92.714 -7.054 8.398 1.00 0.00 H new ATOM 0 HB2 ARG A 54 91.257 -8.497 9.937 1.00 0.00 H new ATOM 0 HB3 ARG A 54 92.697 -7.844 10.693 1.00 0.00 H new ATOM 0 HG2 ARG A 54 91.487 -6.246 11.955 1.00 0.00 H new ATOM 0 HG3 ARG A 54 90.151 -6.203 10.821 1.00 0.00 H new ATOM 0 HD2 ARG A 54 89.269 -8.307 11.602 1.00 0.00 H new ATOM 0 HD3 ARG A 54 90.763 -8.731 12.415 1.00 0.00 H new ATOM 0 HE ARG A 54 89.971 -6.307 13.660 1.00 0.00 H new ATOM 0 HH11 ARG A 54 88.654 -9.480 13.014 1.00 0.00 H new ATOM 0 HH12 ARG A 54 87.631 -9.485 14.454 1.00 0.00 H new ATOM 0 HH21 ARG A 54 88.652 -6.307 15.495 1.00 0.00 H new ATOM 0 HH22 ARG A 54 87.630 -7.705 15.846 1.00 0.00 H new ATOM 937 N TRP A 55 90.134 -7.596 7.764 1.00 0.00 N ATOM 938 CA TRP A 55 88.834 -7.545 7.037 1.00 0.00 C ATOM 939 C TRP A 55 88.221 -8.936 6.986 1.00 0.00 C ATOM 940 O TRP A 55 88.838 -9.912 7.346 1.00 0.00 O ATOM 941 CB TRP A 55 89.037 -7.032 5.608 1.00 0.00 C ATOM 942 CG TRP A 55 90.101 -7.832 4.932 1.00 0.00 C ATOM 943 CD1 TRP A 55 89.946 -9.084 4.447 1.00 0.00 C ATOM 944 CD2 TRP A 55 91.475 -7.452 4.650 1.00 0.00 C ATOM 945 NE1 TRP A 55 91.146 -9.502 3.896 1.00 0.00 N ATOM 946 CE2 TRP A 55 92.117 -8.526 3.993 1.00 0.00 C ATOM 947 CE3 TRP A 55 92.218 -6.289 4.901 1.00 0.00 C ATOM 948 CZ2 TRP A 55 93.452 -8.448 3.598 1.00 0.00 C ATOM 949 CZ3 TRP A 55 93.559 -6.204 4.506 1.00 0.00 C ATOM 950 CH2 TRP A 55 94.177 -7.283 3.855 1.00 0.00 C ATOM 0 H TRP A 55 90.578 -8.514 7.795 1.00 0.00 H new ATOM 0 HA TRP A 55 88.167 -6.865 7.567 1.00 0.00 H new ATOM 0 HB2 TRP A 55 88.104 -7.105 5.049 1.00 0.00 H new ATOM 0 HB3 TRP A 55 89.317 -5.979 5.626 1.00 0.00 H new ATOM 0 HD1 TRP A 55 89.035 -9.664 4.483 1.00 0.00 H new ATOM 0 HE1 TRP A 55 91.294 -10.418 3.471 1.00 0.00 H new ATOM 0 HE3 TRP A 55 91.753 -5.453 5.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 93.921 -9.282 3.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 94.121 -5.303 4.703 1.00 0.00 H new ATOM 0 HH2 TRP A 55 95.212 -7.212 3.553 1.00 0.00 H new ATOM 961 N ALA A 56 87.005 -9.031 6.537 1.00 0.00 N ATOM 962 CA ALA A 56 86.338 -10.360 6.443 1.00 0.00 C ATOM 963 C ALA A 56 85.389 -10.333 5.245 1.00 0.00 C ATOM 964 O ALA A 56 84.507 -9.502 5.165 1.00 0.00 O ATOM 965 CB ALA A 56 85.554 -10.633 7.727 1.00 0.00 C ATOM 0 H ALA A 56 86.438 -8.241 6.228 1.00 0.00 H new ATOM 0 HA ALA A 56 87.079 -11.149 6.314 1.00 0.00 H new ATOM 0 HB1 ALA A 56 85.067 -11.606 7.656 1.00 0.00 H new ATOM 0 HB2 ALA A 56 86.236 -10.630 8.577 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.799 -9.858 7.864 1.00 0.00 H new ATOM 971 N ALA A 57 85.568 -11.221 4.302 1.00 0.00 N ATOM 972 CA ALA A 57 84.683 -11.231 3.096 1.00 0.00 C ATOM 973 C ALA A 57 83.597 -12.294 3.248 1.00 0.00 C ATOM 974 O ALA A 57 83.865 -13.479 3.229 1.00 0.00 O ATOM 975 CB ALA A 57 85.527 -11.543 1.860 1.00 0.00 C ATOM 0 H ALA A 57 86.290 -11.942 4.314 1.00 0.00 H new ATOM 0 HA ALA A 57 84.210 -10.255 2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 57 84.889 -11.552 0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 57 86.297 -10.781 1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 57 85.998 -12.519 1.978 1.00 0.00 H new ATOM 981 N SER A 58 82.365 -11.876 3.382 1.00 0.00 N ATOM 982 CA SER A 58 81.249 -12.850 3.518 1.00 0.00 C ATOM 983 C SER A 58 80.741 -13.195 2.108 1.00 0.00 C ATOM 984 O SER A 58 81.013 -12.468 1.173 1.00 0.00 O ATOM 985 CB SER A 58 80.124 -12.216 4.359 1.00 0.00 C ATOM 986 OG SER A 58 80.084 -12.846 5.632 1.00 0.00 O ATOM 0 H SER A 58 82.086 -10.895 3.403 1.00 0.00 H new ATOM 0 HA SER A 58 81.584 -13.759 4.017 1.00 0.00 H new ATOM 0 HB2 SER A 58 80.298 -11.146 4.474 1.00 0.00 H new ATOM 0 HB3 SER A 58 79.166 -12.330 3.852 1.00 0.00 H new ATOM 0 HG SER A 58 79.371 -12.446 6.173 1.00 0.00 H new ATOM 992 N PRO A 59 80.015 -14.282 1.983 1.00 0.00 N ATOM 993 CA PRO A 59 79.475 -14.692 0.674 1.00 0.00 C ATOM 994 C PRO A 59 78.540 -13.601 0.126 1.00 0.00 C ATOM 995 O PRO A 59 77.923 -13.770 -0.907 1.00 0.00 O ATOM 996 CB PRO A 59 78.698 -15.999 0.965 1.00 0.00 C ATOM 997 CG PRO A 59 78.659 -16.174 2.509 1.00 0.00 C ATOM 998 CD PRO A 59 79.674 -15.183 3.107 1.00 0.00 C ATOM 0 HA PRO A 59 80.251 -14.842 -0.077 1.00 0.00 H new ATOM 0 HB2 PRO A 59 77.688 -15.946 0.558 1.00 0.00 H new ATOM 0 HB3 PRO A 59 79.187 -16.851 0.493 1.00 0.00 H new ATOM 0 HG2 PRO A 59 77.658 -15.978 2.893 1.00 0.00 H new ATOM 0 HG3 PRO A 59 78.912 -17.197 2.786 1.00 0.00 H new ATOM 0 HD2 PRO A 59 79.245 -14.631 3.943 1.00 0.00 H new ATOM 0 HD3 PRO A 59 80.557 -15.698 3.485 1.00 0.00 H new ATOM 1006 N LYS A 60 78.406 -12.495 0.817 1.00 0.00 N ATOM 1007 CA LYS A 60 77.482 -11.430 0.328 1.00 0.00 C ATOM 1008 C LYS A 60 77.886 -10.053 0.858 1.00 0.00 C ATOM 1009 O LYS A 60 77.321 -9.051 0.468 1.00 0.00 O ATOM 1010 CB LYS A 60 76.086 -11.747 0.843 1.00 0.00 C ATOM 1011 CG LYS A 60 76.098 -11.742 2.375 1.00 0.00 C ATOM 1012 CD LYS A 60 74.886 -12.506 2.902 1.00 0.00 C ATOM 1013 CE LYS A 60 74.704 -12.214 4.393 1.00 0.00 C ATOM 1014 NZ LYS A 60 75.876 -12.744 5.146 1.00 0.00 N ATOM 0 H LYS A 60 78.892 -12.287 1.689 1.00 0.00 H new ATOM 0 HA LYS A 60 77.519 -11.406 -0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 60 75.373 -11.011 0.471 1.00 0.00 H new ATOM 0 HB3 LYS A 60 75.762 -12.720 0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 60 77.016 -12.200 2.742 1.00 0.00 H new ATOM 0 HG3 LYS A 60 76.083 -10.717 2.745 1.00 0.00 H new ATOM 0 HD2 LYS A 60 73.992 -12.213 2.352 1.00 0.00 H new ATOM 0 HD3 LYS A 60 75.021 -13.576 2.744 1.00 0.00 H new ATOM 0 HE2 LYS A 60 74.608 -11.141 4.556 1.00 0.00 H new ATOM 0 HE3 LYS A 60 73.785 -12.675 4.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 75.668 -12.733 6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 76.071 -13.720 4.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 76.708 -12.150 4.956 1.00 0.00 H new ATOM 1028 N SER A 61 78.829 -9.987 1.757 1.00 0.00 N ATOM 1029 CA SER A 61 79.229 -8.653 2.324 1.00 0.00 C ATOM 1030 C SER A 61 80.743 -8.570 2.559 1.00 0.00 C ATOM 1031 O SER A 61 81.452 -9.556 2.524 1.00 0.00 O ATOM 1032 CB SER A 61 78.510 -8.448 3.656 1.00 0.00 C ATOM 1033 OG SER A 61 77.138 -8.787 3.506 1.00 0.00 O ATOM 0 H SER A 61 79.341 -10.788 2.126 1.00 0.00 H new ATOM 0 HA SER A 61 78.952 -7.880 1.607 1.00 0.00 H new ATOM 0 HB2 SER A 61 78.967 -9.067 4.428 1.00 0.00 H new ATOM 0 HB3 SER A 61 78.607 -7.412 3.979 1.00 0.00 H new ATOM 0 HG SER A 61 76.868 -9.388 4.232 1.00 0.00 H new ATOM 1039 N PHE A 62 81.227 -7.374 2.806 1.00 0.00 N ATOM 1040 CA PHE A 62 82.688 -7.151 3.060 1.00 0.00 C ATOM 1041 C PHE A 62 82.843 -6.302 4.328 1.00 0.00 C ATOM 1042 O PHE A 62 82.078 -5.388 4.562 1.00 0.00 O ATOM 1043 CB PHE A 62 83.306 -6.404 1.872 1.00 0.00 C ATOM 1044 CG PHE A 62 84.801 -6.256 2.079 1.00 0.00 C ATOM 1045 CD1 PHE A 62 85.615 -7.395 2.140 1.00 0.00 C ATOM 1046 CD2 PHE A 62 85.375 -4.983 2.214 1.00 0.00 C ATOM 1047 CE1 PHE A 62 86.994 -7.263 2.333 1.00 0.00 C ATOM 1048 CE2 PHE A 62 86.756 -4.854 2.406 1.00 0.00 C ATOM 1049 CZ PHE A 62 87.565 -5.993 2.466 1.00 0.00 C ATOM 0 H PHE A 62 80.660 -6.527 2.843 1.00 0.00 H new ATOM 0 HA PHE A 62 83.193 -8.109 3.186 1.00 0.00 H new ATOM 0 HB2 PHE A 62 83.110 -6.947 0.947 1.00 0.00 H new ATOM 0 HB3 PHE A 62 82.845 -5.422 1.769 1.00 0.00 H new ATOM 0 HD1 PHE A 62 85.177 -8.377 2.038 1.00 0.00 H new ATOM 0 HD2 PHE A 62 84.752 -4.102 2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 62 87.619 -8.143 2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 62 87.197 -3.873 2.508 1.00 0.00 H new ATOM 0 HZ PHE A 62 88.630 -5.892 2.615 1.00 0.00 H new ATOM 1059 N THR A 63 83.819 -6.600 5.154 1.00 0.00 N ATOM 1060 CA THR A 63 84.016 -5.814 6.420 1.00 0.00 C ATOM 1061 C THR A 63 85.491 -5.427 6.558 1.00 0.00 C ATOM 1062 O THR A 63 86.367 -6.207 6.265 1.00 0.00 O ATOM 1063 CB THR A 63 83.607 -6.688 7.616 1.00 0.00 C ATOM 1064 OG1 THR A 63 82.196 -6.843 7.625 1.00 0.00 O ATOM 1065 CG2 THR A 63 84.056 -6.036 8.930 1.00 0.00 C ATOM 0 H THR A 63 84.490 -7.354 5.008 1.00 0.00 H new ATOM 0 HA THR A 63 83.406 -4.911 6.392 1.00 0.00 H new ATOM 0 HB THR A 63 84.086 -7.662 7.523 1.00 0.00 H new ATOM 0 HG1 THR A 63 81.819 -6.450 6.811 1.00 0.00 H new ATOM 0 HG21 THR A 63 83.760 -6.666 9.769 1.00 0.00 H new ATOM 0 HG22 THR A 63 85.140 -5.921 8.928 1.00 0.00 H new ATOM 0 HG23 THR A 63 83.588 -5.057 9.029 1.00 0.00 H new ATOM 1073 N LEU A 64 85.767 -4.229 7.022 1.00 0.00 N ATOM 1074 CA LEU A 64 87.191 -3.790 7.208 1.00 0.00 C ATOM 1075 C LEU A 64 87.331 -3.137 8.586 1.00 0.00 C ATOM 1076 O LEU A 64 86.372 -2.652 9.153 1.00 0.00 O ATOM 1077 CB LEU A 64 87.604 -2.790 6.112 1.00 0.00 C ATOM 1078 CG LEU A 64 86.430 -1.847 5.768 1.00 0.00 C ATOM 1079 CD1 LEU A 64 86.969 -0.480 5.327 1.00 0.00 C ATOM 1080 CD2 LEU A 64 85.583 -2.445 4.629 1.00 0.00 C ATOM 0 H LEU A 64 85.066 -3.534 7.281 1.00 0.00 H new ATOM 0 HA LEU A 64 87.844 -4.660 7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 64 88.460 -2.206 6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 64 87.918 -3.330 5.219 1.00 0.00 H new ATOM 0 HG LEU A 64 85.810 -1.728 6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 64 86.135 0.179 5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 64 87.556 -0.043 6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 64 87.599 -0.604 4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.759 -1.771 4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 64 86.205 -2.577 3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 64 85.185 -3.411 4.940 1.00 0.00 H new ATOM 1092 N ASP A 65 88.523 -3.133 9.128 1.00 0.00 N ATOM 1093 CA ASP A 65 88.752 -2.524 10.479 1.00 0.00 C ATOM 1094 C ASP A 65 89.953 -1.580 10.416 1.00 0.00 C ATOM 1095 O ASP A 65 90.996 -1.921 9.893 1.00 0.00 O ATOM 1096 CB ASP A 65 89.034 -3.632 11.502 1.00 0.00 C ATOM 1097 CG ASP A 65 88.046 -4.786 11.302 1.00 0.00 C ATOM 1098 OD1 ASP A 65 87.869 -5.201 10.169 1.00 0.00 O ATOM 1099 OD2 ASP A 65 87.487 -5.238 12.287 1.00 0.00 O ATOM 0 H ASP A 65 89.355 -3.528 8.691 1.00 0.00 H new ATOM 0 HA ASP A 65 87.864 -1.968 10.779 1.00 0.00 H new ATOM 0 HB2 ASP A 65 90.056 -3.993 11.389 1.00 0.00 H new ATOM 0 HB3 ASP A 65 88.946 -3.237 12.514 1.00 0.00 H new ATOM 1104 N PHE A 66 89.817 -0.398 10.954 1.00 0.00 N ATOM 1105 CA PHE A 66 90.948 0.576 10.942 1.00 0.00 C ATOM 1106 C PHE A 66 91.648 0.532 12.296 1.00 0.00 C ATOM 1107 O PHE A 66 92.621 1.221 12.532 1.00 0.00 O ATOM 1108 CB PHE A 66 90.395 1.978 10.698 1.00 0.00 C ATOM 1109 CG PHE A 66 89.827 2.046 9.301 1.00 0.00 C ATOM 1110 CD1 PHE A 66 90.690 2.085 8.200 1.00 0.00 C ATOM 1111 CD2 PHE A 66 88.440 2.061 9.105 1.00 0.00 C ATOM 1112 CE1 PHE A 66 90.168 2.139 6.903 1.00 0.00 C ATOM 1113 CE2 PHE A 66 87.918 2.116 7.807 1.00 0.00 C ATOM 1114 CZ PHE A 66 88.783 2.155 6.707 1.00 0.00 C ATOM 0 H PHE A 66 88.966 -0.063 11.404 1.00 0.00 H new ATOM 0 HA PHE A 66 91.656 0.322 10.153 1.00 0.00 H new ATOM 0 HB2 PHE A 66 89.622 2.211 11.430 1.00 0.00 H new ATOM 0 HB3 PHE A 66 91.184 2.720 10.820 1.00 0.00 H new ATOM 0 HD1 PHE A 66 91.759 2.073 8.352 1.00 0.00 H new ATOM 0 HD2 PHE A 66 87.774 2.030 9.955 1.00 0.00 H new ATOM 0 HE1 PHE A 66 90.834 2.168 6.053 1.00 0.00 H new ATOM 0 HE2 PHE A 66 86.849 2.128 7.655 1.00 0.00 H new ATOM 0 HZ PHE A 66 88.381 2.197 5.706 1.00 0.00 H new ATOM 1124 N GLY A 67 91.152 -0.276 13.189 1.00 0.00 N ATOM 1125 CA GLY A 67 91.773 -0.374 14.538 1.00 0.00 C ATOM 1126 C GLY A 67 91.337 0.826 15.376 1.00 0.00 C ATOM 1127 O GLY A 67 91.616 0.908 16.555 1.00 0.00 O ATOM 0 H GLY A 67 90.340 -0.875 13.042 1.00 0.00 H new ATOM 0 HA2 GLY A 67 91.472 -1.302 15.024 1.00 0.00 H new ATOM 0 HA3 GLY A 67 92.859 -0.398 14.451 1.00 0.00 H new ATOM 1131 N ASP A 68 90.651 1.761 14.773 1.00 0.00 N ATOM 1132 CA ASP A 68 90.193 2.962 15.528 1.00 0.00 C ATOM 1133 C ASP A 68 88.808 2.693 16.123 1.00 0.00 C ATOM 1134 O ASP A 68 87.804 2.773 15.443 1.00 0.00 O ATOM 1135 CB ASP A 68 90.124 4.160 14.580 1.00 0.00 C ATOM 1136 CG ASP A 68 91.340 4.149 13.652 1.00 0.00 C ATOM 1137 OD1 ASP A 68 92.247 3.373 13.906 1.00 0.00 O ATOM 1138 OD2 ASP A 68 91.345 4.917 12.704 1.00 0.00 O ATOM 0 H ASP A 68 90.388 1.744 13.788 1.00 0.00 H new ATOM 0 HA ASP A 68 90.895 3.178 16.334 1.00 0.00 H new ATOM 0 HB2 ASP A 68 89.206 4.121 13.994 1.00 0.00 H new ATOM 0 HB3 ASP A 68 90.098 5.088 15.151 1.00 0.00 H new ATOM 1143 N TYR A 69 88.749 2.377 17.388 1.00 0.00 N ATOM 1144 CA TYR A 69 87.435 2.105 18.034 1.00 0.00 C ATOM 1145 C TYR A 69 86.437 3.195 17.642 1.00 0.00 C ATOM 1146 O TYR A 69 85.329 2.920 17.225 1.00 0.00 O ATOM 1147 CB TYR A 69 87.611 2.101 19.552 1.00 0.00 C ATOM 1148 CG TYR A 69 86.265 1.927 20.212 1.00 0.00 C ATOM 1149 CD1 TYR A 69 85.669 0.663 20.250 1.00 0.00 C ATOM 1150 CD2 TYR A 69 85.616 3.027 20.784 1.00 0.00 C ATOM 1151 CE1 TYR A 69 84.421 0.497 20.861 1.00 0.00 C ATOM 1152 CE2 TYR A 69 84.367 2.862 21.396 1.00 0.00 C ATOM 1153 CZ TYR A 69 83.770 1.596 21.434 1.00 0.00 C ATOM 1154 OH TYR A 69 82.541 1.431 22.037 1.00 0.00 O ATOM 0 H TYR A 69 89.558 2.295 18.004 1.00 0.00 H new ATOM 0 HA TYR A 69 87.061 1.136 17.705 1.00 0.00 H new ATOM 0 HB2 TYR A 69 88.281 1.294 19.849 1.00 0.00 H new ATOM 0 HB3 TYR A 69 88.071 3.034 19.878 1.00 0.00 H new ATOM 0 HD1 TYR A 69 86.171 -0.185 19.808 1.00 0.00 H new ATOM 0 HD2 TYR A 69 86.078 4.003 20.754 1.00 0.00 H new ATOM 0 HE1 TYR A 69 83.960 -0.479 20.891 1.00 0.00 H new ATOM 0 HE2 TYR A 69 83.865 3.710 21.838 1.00 0.00 H new ATOM 0 HH TYR A 69 82.229 2.292 22.385 1.00 0.00 H new ATOM 1164 N GLN A 70 86.827 4.432 17.773 1.00 0.00 N ATOM 1165 CA GLN A 70 85.910 5.549 17.409 1.00 0.00 C ATOM 1166 C GLN A 70 85.312 5.279 16.024 1.00 0.00 C ATOM 1167 O GLN A 70 84.113 5.167 15.866 1.00 0.00 O ATOM 1168 CB GLN A 70 86.695 6.881 17.396 1.00 0.00 C ATOM 1169 CG GLN A 70 88.183 6.622 17.107 1.00 0.00 C ATOM 1170 CD GLN A 70 88.919 6.276 18.407 1.00 0.00 C ATOM 1171 OE1 GLN A 70 88.619 6.819 19.452 1.00 0.00 O ATOM 1172 NE2 GLN A 70 89.877 5.390 18.385 1.00 0.00 N ATOM 0 H GLN A 70 87.743 4.719 18.117 1.00 0.00 H new ATOM 0 HA GLN A 70 85.106 5.619 18.142 1.00 0.00 H new ATOM 0 HB2 GLN A 70 86.281 7.547 16.639 1.00 0.00 H new ATOM 0 HB3 GLN A 70 86.587 7.384 18.357 1.00 0.00 H new ATOM 0 HG2 GLN A 70 88.286 5.805 16.393 1.00 0.00 H new ATOM 0 HG3 GLN A 70 88.632 7.504 16.649 1.00 0.00 H new ATOM 0 HE21 GLN A 70 90.130 4.934 17.508 1.00 0.00 H new ATOM 0 HE22 GLN A 70 90.373 5.154 19.244 1.00 0.00 H new ATOM 1181 N ASP A 71 86.140 5.175 15.024 1.00 0.00 N ATOM 1182 CA ASP A 71 85.623 4.914 13.657 1.00 0.00 C ATOM 1183 C ASP A 71 84.835 3.607 13.664 1.00 0.00 C ATOM 1184 O ASP A 71 83.860 3.449 12.956 1.00 0.00 O ATOM 1185 CB ASP A 71 86.801 4.804 12.688 1.00 0.00 C ATOM 1186 CG ASP A 71 86.312 5.002 11.251 1.00 0.00 C ATOM 1187 OD1 ASP A 71 85.170 4.667 10.983 1.00 0.00 O ATOM 1188 OD2 ASP A 71 87.089 5.485 10.443 1.00 0.00 O ATOM 0 H ASP A 71 87.154 5.260 15.096 1.00 0.00 H new ATOM 0 HA ASP A 71 84.971 5.729 13.341 1.00 0.00 H new ATOM 0 HB2 ASP A 71 87.555 5.553 12.932 1.00 0.00 H new ATOM 0 HB3 ASP A 71 87.276 3.828 12.789 1.00 0.00 H new ATOM 1193 N GLY A 72 85.255 2.670 14.464 1.00 0.00 N ATOM 1194 CA GLY A 72 84.540 1.368 14.529 1.00 0.00 C ATOM 1195 C GLY A 72 84.704 0.630 13.201 1.00 0.00 C ATOM 1196 O GLY A 72 85.296 1.136 12.268 1.00 0.00 O ATOM 0 H GLY A 72 86.066 2.750 15.078 1.00 0.00 H new ATOM 0 HA2 GLY A 72 84.937 0.763 15.345 1.00 0.00 H new ATOM 0 HA3 GLY A 72 83.483 1.532 14.738 1.00 0.00 H new ATOM 1200 N TYR A 73 84.190 -0.564 13.107 1.00 0.00 N ATOM 1201 CA TYR A 73 84.326 -1.331 11.838 1.00 0.00 C ATOM 1202 C TYR A 73 83.422 -0.724 10.766 1.00 0.00 C ATOM 1203 O TYR A 73 82.456 -0.048 11.058 1.00 0.00 O ATOM 1204 CB TYR A 73 83.928 -2.789 12.072 1.00 0.00 C ATOM 1205 CG TYR A 73 84.629 -3.312 13.304 1.00 0.00 C ATOM 1206 CD1 TYR A 73 86.025 -3.344 13.344 1.00 0.00 C ATOM 1207 CD2 TYR A 73 83.888 -3.769 14.401 1.00 0.00 C ATOM 1208 CE1 TYR A 73 86.685 -3.831 14.477 1.00 0.00 C ATOM 1209 CE2 TYR A 73 84.546 -4.255 15.537 1.00 0.00 C ATOM 1210 CZ TYR A 73 85.946 -4.286 15.575 1.00 0.00 C ATOM 1211 OH TYR A 73 86.597 -4.767 16.693 1.00 0.00 O ATOM 0 H TYR A 73 83.683 -1.041 13.852 1.00 0.00 H new ATOM 0 HA TYR A 73 85.363 -1.286 11.504 1.00 0.00 H new ATOM 0 HB2 TYR A 73 82.848 -2.867 12.195 1.00 0.00 H new ATOM 0 HB3 TYR A 73 84.195 -3.393 11.205 1.00 0.00 H new ATOM 0 HD1 TYR A 73 86.596 -2.992 12.498 1.00 0.00 H new ATOM 0 HD2 TYR A 73 82.809 -3.746 14.371 1.00 0.00 H new ATOM 0 HE1 TYR A 73 87.764 -3.856 14.505 1.00 0.00 H new ATOM 0 HE2 TYR A 73 83.975 -4.606 16.384 1.00 0.00 H new ATOM 0 HH TYR A 73 85.937 -5.041 17.363 1.00 0.00 H new ATOM 1221 N TYR A 74 83.737 -0.972 9.522 1.00 0.00 N ATOM 1222 CA TYR A 74 82.922 -0.437 8.395 1.00 0.00 C ATOM 1223 C TYR A 74 82.642 -1.576 7.422 1.00 0.00 C ATOM 1224 O TYR A 74 83.522 -2.043 6.732 1.00 0.00 O ATOM 1225 CB TYR A 74 83.707 0.659 7.679 1.00 0.00 C ATOM 1226 CG TYR A 74 82.859 1.265 6.584 1.00 0.00 C ATOM 1227 CD1 TYR A 74 81.861 2.193 6.903 1.00 0.00 C ATOM 1228 CD2 TYR A 74 83.074 0.900 5.249 1.00 0.00 C ATOM 1229 CE1 TYR A 74 81.078 2.756 5.888 1.00 0.00 C ATOM 1230 CE2 TYR A 74 82.291 1.462 4.234 1.00 0.00 C ATOM 1231 CZ TYR A 74 81.293 2.390 4.554 1.00 0.00 C ATOM 1232 OH TYR A 74 80.522 2.944 3.553 1.00 0.00 O ATOM 0 H TYR A 74 84.539 -1.533 9.236 1.00 0.00 H new ATOM 0 HA TYR A 74 81.986 -0.023 8.770 1.00 0.00 H new ATOM 0 HB2 TYR A 74 84.004 1.430 8.390 1.00 0.00 H new ATOM 0 HB3 TYR A 74 84.623 0.246 7.256 1.00 0.00 H new ATOM 0 HD1 TYR A 74 81.695 2.475 7.932 1.00 0.00 H new ATOM 0 HD2 TYR A 74 83.844 0.184 5.003 1.00 0.00 H new ATOM 0 HE1 TYR A 74 80.308 3.472 6.134 1.00 0.00 H new ATOM 0 HE2 TYR A 74 82.457 1.180 3.205 1.00 0.00 H new ATOM 0 HH TYR A 74 79.583 2.697 3.688 1.00 0.00 H new ATOM 1242 N SER A 75 81.426 -2.037 7.374 1.00 0.00 N ATOM 1243 CA SER A 75 81.071 -3.164 6.459 1.00 0.00 C ATOM 1244 C SER A 75 79.835 -2.809 5.640 1.00 0.00 C ATOM 1245 O SER A 75 79.021 -1.995 6.028 1.00 0.00 O ATOM 1246 CB SER A 75 80.784 -4.411 7.294 1.00 0.00 C ATOM 1247 OG SER A 75 80.634 -5.531 6.432 1.00 0.00 O ATOM 0 H SER A 75 80.652 -1.680 7.934 1.00 0.00 H new ATOM 0 HA SER A 75 81.903 -3.351 5.780 1.00 0.00 H new ATOM 0 HB2 SER A 75 81.598 -4.586 7.998 1.00 0.00 H new ATOM 0 HB3 SER A 75 79.878 -4.267 7.883 1.00 0.00 H new ATOM 0 HG SER A 75 81.023 -5.324 5.556 1.00 0.00 H new ATOM 1253 N VAL A 76 79.699 -3.428 4.502 1.00 0.00 N ATOM 1254 CA VAL A 76 78.527 -3.160 3.621 1.00 0.00 C ATOM 1255 C VAL A 76 78.233 -4.421 2.811 1.00 0.00 C ATOM 1256 O VAL A 76 78.982 -5.377 2.850 1.00 0.00 O ATOM 1257 CB VAL A 76 78.847 -2.002 2.674 1.00 0.00 C ATOM 1258 CG1 VAL A 76 79.039 -0.718 3.485 1.00 0.00 C ATOM 1259 CG2 VAL A 76 80.135 -2.311 1.904 1.00 0.00 C ATOM 0 H VAL A 76 80.358 -4.117 4.139 1.00 0.00 H new ATOM 0 HA VAL A 76 77.660 -2.892 4.224 1.00 0.00 H new ATOM 0 HB VAL A 76 78.024 -1.872 1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.267 0.108 2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.125 -0.495 4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.862 -0.851 4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 76 80.363 -1.486 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 76 80.957 -2.442 2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 76 80.003 -3.226 1.326 1.00 0.00 H new ATOM 1269 N GLN A 77 77.149 -4.448 2.089 1.00 0.00 N ATOM 1270 CA GLN A 77 76.823 -5.665 1.302 1.00 0.00 C ATOM 1271 C GLN A 77 77.665 -5.719 0.028 1.00 0.00 C ATOM 1272 O GLN A 77 77.983 -4.710 -0.569 1.00 0.00 O ATOM 1273 CB GLN A 77 75.347 -5.631 0.920 1.00 0.00 C ATOM 1274 CG GLN A 77 74.495 -5.648 2.187 1.00 0.00 C ATOM 1275 CD GLN A 77 74.540 -4.269 2.842 1.00 0.00 C ATOM 1276 OE1 GLN A 77 75.375 -4.010 3.686 1.00 0.00 O ATOM 1277 NE2 GLN A 77 73.670 -3.363 2.486 1.00 0.00 N ATOM 0 H GLN A 77 76.478 -3.683 2.011 1.00 0.00 H new ATOM 0 HA GLN A 77 77.039 -6.545 1.907 1.00 0.00 H new ATOM 0 HB2 GLN A 77 75.132 -4.736 0.336 1.00 0.00 H new ATOM 0 HB3 GLN A 77 75.103 -6.488 0.293 1.00 0.00 H new ATOM 0 HG2 GLN A 77 73.466 -5.915 1.944 1.00 0.00 H new ATOM 0 HG3 GLN A 77 74.866 -6.404 2.879 1.00 0.00 H new ATOM 0 HE21 GLN A 77 72.969 -3.580 1.778 1.00 0.00 H new ATOM 0 HE22 GLN A 77 73.691 -2.438 2.916 1.00 0.00 H new ATOM 1286 N THR A 78 78.012 -6.904 -0.394 1.00 0.00 N ATOM 1287 CA THR A 78 78.819 -7.070 -1.631 1.00 0.00 C ATOM 1288 C THR A 78 78.481 -8.420 -2.249 1.00 0.00 C ATOM 1289 O THR A 78 78.549 -9.445 -1.601 1.00 0.00 O ATOM 1290 CB THR A 78 80.309 -7.043 -1.294 1.00 0.00 C ATOM 1291 OG1 THR A 78 80.612 -8.125 -0.424 1.00 0.00 O ATOM 1292 CG2 THR A 78 80.664 -5.723 -0.613 1.00 0.00 C ATOM 0 H THR A 78 77.766 -7.776 0.075 1.00 0.00 H new ATOM 0 HA THR A 78 78.594 -6.259 -2.324 1.00 0.00 H new ATOM 0 HB THR A 78 80.889 -7.136 -2.212 1.00 0.00 H new ATOM 0 HG1 THR A 78 79.990 -8.863 -0.591 1.00 0.00 H new ATOM 0 HG21 THR A 78 81.728 -5.711 -0.376 1.00 0.00 H new ATOM 0 HG22 THR A 78 80.432 -4.894 -1.282 1.00 0.00 H new ATOM 0 HG23 THR A 78 80.086 -5.620 0.305 1.00 0.00 H new ATOM 1300 N THR A 79 78.122 -8.438 -3.493 1.00 0.00 N ATOM 1301 CA THR A 79 77.788 -9.732 -4.139 1.00 0.00 C ATOM 1302 C THR A 79 79.042 -10.600 -4.173 1.00 0.00 C ATOM 1303 O THR A 79 78.977 -11.813 -4.140 1.00 0.00 O ATOM 1304 CB THR A 79 77.303 -9.483 -5.565 1.00 0.00 C ATOM 1305 OG1 THR A 79 76.254 -8.526 -5.548 1.00 0.00 O ATOM 1306 CG2 THR A 79 76.796 -10.793 -6.165 1.00 0.00 C ATOM 0 H THR A 79 78.044 -7.616 -4.092 1.00 0.00 H new ATOM 0 HA THR A 79 77.001 -10.235 -3.577 1.00 0.00 H new ATOM 0 HB THR A 79 78.126 -9.104 -6.170 1.00 0.00 H new ATOM 0 HG1 THR A 79 75.944 -8.365 -6.463 1.00 0.00 H new ATOM 0 HG21 THR A 79 76.449 -10.617 -7.183 1.00 0.00 H new ATOM 0 HG22 THR A 79 77.604 -11.524 -6.178 1.00 0.00 H new ATOM 0 HG23 THR A 79 75.972 -11.174 -5.562 1.00 0.00 H new ATOM 1314 N GLU A 80 80.187 -9.978 -4.239 1.00 0.00 N ATOM 1315 CA GLU A 80 81.466 -10.742 -4.276 1.00 0.00 C ATOM 1316 C GLU A 80 82.079 -10.779 -2.881 1.00 0.00 C ATOM 1317 O GLU A 80 82.202 -11.821 -2.267 1.00 0.00 O ATOM 1318 CB GLU A 80 82.432 -10.053 -5.238 1.00 0.00 C ATOM 1319 CG GLU A 80 81.785 -9.947 -6.620 1.00 0.00 C ATOM 1320 CD GLU A 80 81.687 -11.338 -7.249 1.00 0.00 C ATOM 1321 OE1 GLU A 80 82.488 -12.186 -6.891 1.00 0.00 O ATOM 1322 OE2 GLU A 80 80.812 -11.532 -8.077 1.00 0.00 O ATOM 0 H GLU A 80 80.292 -8.964 -4.269 1.00 0.00 H new ATOM 0 HA GLU A 80 81.275 -11.761 -4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.686 -9.060 -4.866 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.362 -10.617 -5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 80 80.792 -9.505 -6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 80 82.374 -9.289 -7.259 1.00 0.00 H new ATOM 1329 N GLY A 81 82.472 -9.648 -2.385 1.00 0.00 N ATOM 1330 CA GLY A 81 83.092 -9.593 -1.031 1.00 0.00 C ATOM 1331 C GLY A 81 84.483 -10.223 -1.086 1.00 0.00 C ATOM 1332 O GLY A 81 85.378 -9.837 -0.363 1.00 0.00 O ATOM 0 H GLY A 81 82.392 -8.749 -2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 81 83.162 -8.559 -0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 81 82.468 -10.123 -0.311 1.00 0.00 H new ATOM 1336 N GLU A 82 84.674 -11.186 -1.945 1.00 0.00 N ATOM 1337 CA GLU A 82 86.005 -11.838 -2.054 1.00 0.00 C ATOM 1338 C GLU A 82 86.939 -10.923 -2.844 1.00 0.00 C ATOM 1339 O GLU A 82 87.983 -10.517 -2.372 1.00 0.00 O ATOM 1340 CB GLU A 82 85.839 -13.180 -2.783 1.00 0.00 C ATOM 1341 CG GLU A 82 87.193 -13.676 -3.291 1.00 0.00 C ATOM 1342 CD GLU A 82 87.116 -15.171 -3.610 1.00 0.00 C ATOM 1343 OE1 GLU A 82 86.259 -15.547 -4.392 1.00 0.00 O ATOM 1344 OE2 GLU A 82 87.917 -15.915 -3.066 1.00 0.00 O ATOM 0 H GLU A 82 83.961 -11.549 -2.578 1.00 0.00 H new ATOM 0 HA GLU A 82 86.428 -12.015 -1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 82 85.403 -13.917 -2.108 1.00 0.00 H new ATOM 0 HB3 GLU A 82 85.149 -13.065 -3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 82 87.482 -13.120 -4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 82 87.961 -13.495 -2.539 1.00 0.00 H new ATOM 1351 N GLN A 83 86.560 -10.594 -4.043 1.00 0.00 N ATOM 1352 CA GLN A 83 87.407 -9.699 -4.878 1.00 0.00 C ATOM 1353 C GLN A 83 87.743 -8.460 -4.069 1.00 0.00 C ATOM 1354 O GLN A 83 88.861 -7.986 -4.059 1.00 0.00 O ATOM 1355 CB GLN A 83 86.645 -9.283 -6.135 1.00 0.00 C ATOM 1356 CG GLN A 83 86.074 -10.512 -6.830 1.00 0.00 C ATOM 1357 CD GLN A 83 85.205 -10.073 -8.005 1.00 0.00 C ATOM 1358 OE1 GLN A 83 84.078 -10.687 -8.215 1.00 0.00 O flip ATOM 1359 NE2 GLN A 83 85.554 -9.168 -8.735 1.00 0.00 N flip ATOM 0 H GLN A 83 85.696 -10.907 -4.485 1.00 0.00 H new ATOM 0 HA GLN A 83 88.317 -10.223 -5.170 1.00 0.00 H new ATOM 0 HB2 GLN A 83 85.840 -8.597 -5.872 1.00 0.00 H new ATOM 0 HB3 GLN A 83 87.310 -8.748 -6.813 1.00 0.00 H new ATOM 0 HG2 GLN A 83 86.883 -11.153 -7.181 1.00 0.00 H new ATOM 0 HG3 GLN A 83 85.484 -11.100 -6.127 1.00 0.00 H new ATOM 0 HE21 GLN A 83 86.439 -8.689 -8.567 1.00 0.00 H new ATOM 0 HE22 GLN A 83 84.962 -8.886 -9.517 1.00 0.00 H new ATOM 1368 N ILE A 84 86.776 -7.946 -3.372 1.00 0.00 N ATOM 1369 CA ILE A 84 87.019 -6.747 -2.533 1.00 0.00 C ATOM 1370 C ILE A 84 88.230 -7.026 -1.648 1.00 0.00 C ATOM 1371 O ILE A 84 89.019 -6.151 -1.351 1.00 0.00 O ATOM 1372 CB ILE A 84 85.795 -6.494 -1.655 1.00 0.00 C ATOM 1373 CG1 ILE A 84 84.526 -6.550 -2.514 1.00 0.00 C ATOM 1374 CG2 ILE A 84 85.914 -5.122 -0.990 1.00 0.00 C ATOM 1375 CD1 ILE A 84 84.660 -5.616 -3.719 1.00 0.00 C ATOM 0 H ILE A 84 85.822 -8.306 -3.347 1.00 0.00 H new ATOM 0 HA ILE A 84 87.201 -5.872 -3.157 1.00 0.00 H new ATOM 0 HB ILE A 84 85.738 -7.261 -0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 84 84.353 -7.571 -2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 84 83.661 -6.262 -1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 84 85.040 -4.944 -0.364 1.00 0.00 H new ATOM 0 HG22 ILE A 84 86.813 -5.093 -0.374 1.00 0.00 H new ATOM 0 HG23 ILE A 84 85.975 -4.350 -1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 84 83.752 -5.665 -4.320 1.00 0.00 H new ATOM 0 HD12 ILE A 84 84.810 -4.594 -3.372 1.00 0.00 H new ATOM 0 HD13 ILE A 84 85.513 -5.923 -4.324 1.00 0.00 H new ATOM 1387 N ALA A 85 88.378 -8.254 -1.234 1.00 0.00 N ATOM 1388 CA ALA A 85 89.532 -8.627 -0.372 1.00 0.00 C ATOM 1389 C ALA A 85 90.750 -8.913 -1.251 1.00 0.00 C ATOM 1390 O ALA A 85 91.871 -8.639 -0.880 1.00 0.00 O ATOM 1391 CB ALA A 85 89.180 -9.878 0.435 1.00 0.00 C ATOM 0 H ALA A 85 87.743 -9.020 -1.458 1.00 0.00 H new ATOM 0 HA ALA A 85 89.759 -7.807 0.309 1.00 0.00 H new ATOM 0 HB1 ALA A 85 90.024 -10.153 1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 85 88.310 -9.675 1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 85 88.954 -10.699 -0.246 1.00 0.00 H new ATOM 1397 N GLN A 86 90.537 -9.464 -2.415 1.00 0.00 N ATOM 1398 CA GLN A 86 91.684 -9.771 -3.312 1.00 0.00 C ATOM 1399 C GLN A 86 92.165 -8.485 -3.970 1.00 0.00 C ATOM 1400 O GLN A 86 93.346 -8.260 -4.140 1.00 0.00 O ATOM 1401 CB GLN A 86 91.230 -10.759 -4.385 1.00 0.00 C ATOM 1402 CG GLN A 86 92.448 -11.393 -5.048 1.00 0.00 C ATOM 1403 CD GLN A 86 92.026 -12.093 -6.338 1.00 0.00 C ATOM 1404 OE1 GLN A 86 90.864 -12.092 -6.694 1.00 0.00 O ATOM 1405 NE2 GLN A 86 92.929 -12.695 -7.058 1.00 0.00 N ATOM 0 H GLN A 86 89.619 -9.714 -2.782 1.00 0.00 H new ATOM 0 HA GLN A 86 92.499 -10.209 -2.736 1.00 0.00 H new ATOM 0 HB2 GLN A 86 90.603 -11.531 -3.940 1.00 0.00 H new ATOM 0 HB3 GLN A 86 90.623 -10.247 -5.131 1.00 0.00 H new ATOM 0 HG2 GLN A 86 93.195 -10.629 -5.265 1.00 0.00 H new ATOM 0 HG3 GLN A 86 92.912 -12.109 -4.369 1.00 0.00 H new ATOM 0 HE21 GLN A 86 93.904 -12.695 -6.758 1.00 0.00 H new ATOM 0 HE22 GLN A 86 92.661 -13.166 -7.922 1.00 0.00 H new ATOM 1414 N LEU A 87 91.252 -7.637 -4.331 1.00 0.00 N ATOM 1415 CA LEU A 87 91.639 -6.357 -4.968 1.00 0.00 C ATOM 1416 C LEU A 87 92.348 -5.507 -3.925 1.00 0.00 C ATOM 1417 O LEU A 87 93.324 -4.836 -4.199 1.00 0.00 O ATOM 1418 CB LEU A 87 90.377 -5.639 -5.452 1.00 0.00 C ATOM 1419 CG LEU A 87 90.733 -4.257 -6.008 1.00 0.00 C ATOM 1420 CD1 LEU A 87 91.773 -4.392 -7.134 1.00 0.00 C ATOM 1421 CD2 LEU A 87 89.460 -3.609 -6.556 1.00 0.00 C ATOM 0 H LEU A 87 90.249 -7.776 -4.212 1.00 0.00 H new ATOM 0 HA LEU A 87 92.298 -6.531 -5.818 1.00 0.00 H new ATOM 0 HB2 LEU A 87 89.885 -6.233 -6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 87 89.670 -5.536 -4.629 1.00 0.00 H new ATOM 0 HG LEU A 87 91.157 -3.640 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 87 92.019 -3.404 -7.522 1.00 0.00 H new ATOM 0 HD12 LEU A 87 92.675 -4.863 -6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 87 91.363 -5.005 -7.936 1.00 0.00 H new ATOM 0 HD21 LEU A 87 89.697 -2.623 -6.956 1.00 0.00 H new ATOM 0 HD22 LEU A 87 89.047 -4.233 -7.349 1.00 0.00 H new ATOM 0 HD23 LEU A 87 88.728 -3.509 -5.754 1.00 0.00 H new ATOM 1433 N ILE A 88 91.854 -5.540 -2.726 1.00 0.00 N ATOM 1434 CA ILE A 88 92.474 -4.751 -1.635 1.00 0.00 C ATOM 1435 C ILE A 88 93.725 -5.480 -1.139 1.00 0.00 C ATOM 1436 O ILE A 88 94.788 -4.905 -1.030 1.00 0.00 O ATOM 1437 CB ILE A 88 91.459 -4.606 -0.496 1.00 0.00 C ATOM 1438 CG1 ILE A 88 90.336 -3.659 -0.942 1.00 0.00 C ATOM 1439 CG2 ILE A 88 92.148 -4.034 0.750 1.00 0.00 C ATOM 1440 CD1 ILE A 88 89.213 -3.641 0.100 1.00 0.00 C ATOM 0 H ILE A 88 91.037 -6.086 -2.452 1.00 0.00 H new ATOM 0 HA ILE A 88 92.759 -3.762 -1.994 1.00 0.00 H new ATOM 0 HB ILE A 88 91.044 -5.584 -0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 88 90.732 -2.653 -1.078 1.00 0.00 H new ATOM 0 HG13 ILE A 88 89.942 -3.979 -1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 88 91.420 -3.934 1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 88 92.947 -4.706 1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 88 92.568 -3.055 0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 88 88.423 -2.966 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 88 88.807 -4.646 0.215 1.00 0.00 H new ATOM 0 HD13 ILE A 88 89.609 -3.298 1.056 1.00 0.00 H new ATOM 1452 N ALA A 89 93.608 -6.746 -0.844 1.00 0.00 N ATOM 1453 CA ALA A 89 94.795 -7.510 -0.361 1.00 0.00 C ATOM 1454 C ALA A 89 95.882 -7.470 -1.431 1.00 0.00 C ATOM 1455 O ALA A 89 97.035 -7.754 -1.173 1.00 0.00 O ATOM 1456 CB ALA A 89 94.406 -8.965 -0.091 1.00 0.00 C ATOM 0 H ALA A 89 92.744 -7.284 -0.916 1.00 0.00 H new ATOM 0 HA ALA A 89 95.162 -7.061 0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 89 95.278 -9.516 0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 89 93.625 -8.998 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 89 94.037 -9.420 -1.010 1.00 0.00 H new ATOM 1462 N GLY A 90 95.519 -7.130 -2.636 1.00 0.00 N ATOM 1463 CA GLY A 90 96.524 -7.081 -3.734 1.00 0.00 C ATOM 1464 C GLY A 90 97.269 -5.745 -3.716 1.00 0.00 C ATOM 1465 O GLY A 90 98.411 -5.665 -4.119 1.00 0.00 O ATOM 0 H GLY A 90 94.567 -6.883 -2.908 1.00 0.00 H new ATOM 0 HA2 GLY A 90 97.233 -7.901 -3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 90 96.028 -7.215 -4.695 1.00 0.00 H new ATOM 1469 N TYR A 91 96.642 -4.688 -3.264 1.00 0.00 N ATOM 1470 CA TYR A 91 97.342 -3.368 -3.242 1.00 0.00 C ATOM 1471 C TYR A 91 98.161 -3.231 -1.957 1.00 0.00 C ATOM 1472 O TYR A 91 99.156 -2.536 -1.917 1.00 0.00 O ATOM 1473 CB TYR A 91 96.315 -2.227 -3.291 1.00 0.00 C ATOM 1474 CG TYR A 91 95.690 -2.110 -4.673 1.00 0.00 C ATOM 1475 CD1 TYR A 91 96.493 -1.891 -5.808 1.00 0.00 C ATOM 1476 CD2 TYR A 91 94.298 -2.194 -4.816 1.00 0.00 C ATOM 1477 CE1 TYR A 91 95.901 -1.767 -7.070 1.00 0.00 C ATOM 1478 CE2 TYR A 91 93.712 -2.066 -6.079 1.00 0.00 C ATOM 1479 CZ TYR A 91 94.512 -1.855 -7.206 1.00 0.00 C ATOM 1480 OH TYR A 91 93.931 -1.727 -8.451 1.00 0.00 O ATOM 0 H TYR A 91 95.685 -4.681 -2.912 1.00 0.00 H new ATOM 0 HA TYR A 91 98.000 -3.312 -4.109 1.00 0.00 H new ATOM 0 HB2 TYR A 91 95.535 -2.404 -2.550 1.00 0.00 H new ATOM 0 HB3 TYR A 91 96.799 -1.287 -3.027 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.566 -1.819 -5.705 1.00 0.00 H new ATOM 0 HD2 TYR A 91 93.676 -2.358 -3.948 1.00 0.00 H new ATOM 0 HE1 TYR A 91 96.518 -1.603 -7.941 1.00 0.00 H new ATOM 0 HE2 TYR A 91 92.639 -2.130 -6.184 1.00 0.00 H new ATOM 0 HH TYR A 91 94.552 -2.051 -9.137 1.00 0.00 H new ATOM 1490 N ILE A 92 97.743 -3.866 -0.903 1.00 0.00 N ATOM 1491 CA ILE A 92 98.486 -3.744 0.381 1.00 0.00 C ATOM 1492 C ILE A 92 99.879 -4.363 0.258 1.00 0.00 C ATOM 1493 O ILE A 92 100.795 -3.999 0.968 1.00 0.00 O ATOM 1494 CB ILE A 92 97.704 -4.450 1.482 1.00 0.00 C ATOM 1495 CG1 ILE A 92 96.351 -3.748 1.635 1.00 0.00 C ATOM 1496 CG2 ILE A 92 98.492 -4.368 2.793 1.00 0.00 C ATOM 1497 CD1 ILE A 92 95.459 -4.509 2.618 1.00 0.00 C ATOM 0 H ILE A 92 96.918 -4.465 -0.873 1.00 0.00 H new ATOM 0 HA ILE A 92 98.599 -2.688 0.626 1.00 0.00 H new ATOM 0 HB ILE A 92 97.549 -5.499 1.231 1.00 0.00 H new ATOM 0 HG12 ILE A 92 96.502 -2.728 1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 92 95.858 -3.681 0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 92 97.936 -4.872 3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 92 99.461 -4.851 2.666 1.00 0.00 H new ATOM 0 HG23 ILE A 92 98.640 -3.323 3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 92 94.502 -3.995 2.714 1.00 0.00 H new ATOM 0 HD12 ILE A 92 95.292 -5.521 2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 92 95.946 -4.553 3.592 1.00 0.00 H new ATOM 1509 N ASP A 93 100.046 -5.297 -0.632 1.00 0.00 N ATOM 1510 CA ASP A 93 101.378 -5.946 -0.800 1.00 0.00 C ATOM 1511 C ASP A 93 102.253 -5.100 -1.729 1.00 0.00 C ATOM 1512 O ASP A 93 103.463 -5.219 -1.739 1.00 0.00 O ATOM 1513 CB ASP A 93 101.179 -7.336 -1.409 1.00 0.00 C ATOM 1514 CG ASP A 93 100.663 -8.300 -0.337 1.00 0.00 C ATOM 1515 OD1 ASP A 93 101.311 -8.414 0.690 1.00 0.00 O ATOM 1516 OD2 ASP A 93 99.629 -8.907 -0.562 1.00 0.00 O ATOM 0 H ASP A 93 99.315 -5.642 -1.255 1.00 0.00 H new ATOM 0 HA ASP A 93 101.869 -6.032 0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 93 100.471 -7.283 -2.236 1.00 0.00 H new ATOM 0 HB3 ASP A 93 102.120 -7.702 -1.819 1.00 0.00 H new ATOM 1521 N ILE A 94 101.647 -4.262 -2.523 1.00 0.00 N ATOM 1522 CA ILE A 94 102.429 -3.417 -3.473 1.00 0.00 C ATOM 1523 C ILE A 94 102.879 -2.123 -2.795 1.00 0.00 C ATOM 1524 O ILE A 94 103.845 -1.506 -3.198 1.00 0.00 O ATOM 1525 CB ILE A 94 101.556 -3.081 -4.679 1.00 0.00 C ATOM 1526 CG1 ILE A 94 101.063 -4.384 -5.319 1.00 0.00 C ATOM 1527 CG2 ILE A 94 102.381 -2.287 -5.693 1.00 0.00 C ATOM 1528 CD1 ILE A 94 100.024 -4.072 -6.399 1.00 0.00 C ATOM 0 H ILE A 94 100.637 -4.124 -2.556 1.00 0.00 H new ATOM 0 HA ILE A 94 103.313 -3.969 -3.793 1.00 0.00 H new ATOM 0 HB ILE A 94 100.700 -2.484 -4.364 1.00 0.00 H new ATOM 0 HG12 ILE A 94 101.902 -4.926 -5.755 1.00 0.00 H new ATOM 0 HG13 ILE A 94 100.627 -5.031 -4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 94 101.761 -2.045 -6.556 1.00 0.00 H new ATOM 0 HG22 ILE A 94 102.736 -1.366 -5.231 1.00 0.00 H new ATOM 0 HG23 ILE A 94 103.234 -2.884 -6.015 1.00 0.00 H new ATOM 0 HD11 ILE A 94 99.678 -5.002 -6.850 1.00 0.00 H new ATOM 0 HD12 ILE A 94 99.179 -3.549 -5.951 1.00 0.00 H new ATOM 0 HD13 ILE A 94 100.475 -3.442 -7.166 1.00 0.00 H new ATOM 1540 N ILE A 95 102.193 -1.703 -1.770 1.00 0.00 N ATOM 1541 CA ILE A 95 102.597 -0.444 -1.075 1.00 0.00 C ATOM 1542 C ILE A 95 103.710 -0.761 -0.086 1.00 0.00 C ATOM 1543 O ILE A 95 104.608 0.026 0.139 1.00 0.00 O ATOM 1544 CB ILE A 95 101.404 0.136 -0.319 1.00 0.00 C ATOM 1545 CG1 ILE A 95 100.833 -0.922 0.628 1.00 0.00 C ATOM 1546 CG2 ILE A 95 100.329 0.570 -1.314 1.00 0.00 C ATOM 1547 CD1 ILE A 95 99.556 -0.385 1.280 1.00 0.00 C ATOM 0 H ILE A 95 101.374 -2.172 -1.383 1.00 0.00 H new ATOM 0 HA ILE A 95 102.944 0.282 -1.810 1.00 0.00 H new ATOM 0 HB ILE A 95 101.728 1.000 0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 95 100.616 -1.838 0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 95 101.567 -1.175 1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 95 99.478 0.984 -0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 95 100.737 1.328 -1.983 1.00 0.00 H new ATOM 0 HG23 ILE A 95 100.004 -0.292 -1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 95 99.148 -1.137 1.955 1.00 0.00 H new ATOM 0 HD12 ILE A 95 99.787 0.520 1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 95 98.822 -0.154 0.508 1.00 0.00 H new ATOM 1559 N LEU A 96 103.649 -1.915 0.504 1.00 0.00 N ATOM 1560 CA LEU A 96 104.692 -2.312 1.485 1.00 0.00 C ATOM 1561 C LEU A 96 106.010 -2.554 0.743 1.00 0.00 C ATOM 1562 O LEU A 96 107.082 -2.457 1.306 1.00 0.00 O ATOM 1563 CB LEU A 96 104.234 -3.602 2.187 1.00 0.00 C ATOM 1564 CG LEU A 96 103.411 -3.267 3.448 1.00 0.00 C ATOM 1565 CD1 LEU A 96 102.556 -4.478 3.838 1.00 0.00 C ATOM 1566 CD2 LEU A 96 104.344 -2.908 4.619 1.00 0.00 C ATOM 0 H LEU A 96 102.916 -2.607 0.349 1.00 0.00 H new ATOM 0 HA LEU A 96 104.842 -1.527 2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 96 103.634 -4.202 1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 96 105.102 -4.202 2.461 1.00 0.00 H new ATOM 0 HG LEU A 96 102.769 -2.413 3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 96 101.975 -4.241 4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 96 101.881 -4.725 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 96 103.204 -5.330 4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 96 103.748 -2.674 5.501 1.00 0.00 H new ATOM 0 HD22 LEU A 96 104.997 -3.753 4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 96 104.949 -2.042 4.350 1.00 0.00 H new ATOM 1578 N LYS A 97 105.933 -2.868 -0.518 1.00 0.00 N ATOM 1579 CA LYS A 97 107.172 -3.116 -1.304 1.00 0.00 C ATOM 1580 C LYS A 97 107.910 -1.789 -1.511 1.00 0.00 C ATOM 1581 O LYS A 97 109.107 -1.698 -1.327 1.00 0.00 O ATOM 1582 CB LYS A 97 106.794 -3.739 -2.656 1.00 0.00 C ATOM 1583 CG LYS A 97 107.989 -3.685 -3.643 1.00 0.00 C ATOM 1584 CD LYS A 97 107.846 -2.482 -4.597 1.00 0.00 C ATOM 1585 CE LYS A 97 106.961 -2.859 -5.790 1.00 0.00 C ATOM 1586 NZ LYS A 97 106.888 -1.711 -6.738 1.00 0.00 N ATOM 0 H LYS A 97 105.062 -2.964 -1.041 1.00 0.00 H new ATOM 0 HA LYS A 97 107.827 -3.804 -0.770 1.00 0.00 H new ATOM 0 HB2 LYS A 97 106.484 -4.774 -2.510 1.00 0.00 H new ATOM 0 HB3 LYS A 97 105.942 -3.208 -3.080 1.00 0.00 H new ATOM 0 HG2 LYS A 97 108.924 -3.608 -3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 97 108.036 -4.610 -4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 97 107.412 -1.636 -4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 97 108.829 -2.167 -4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 97 107.367 -3.736 -6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 97 105.961 -3.124 -5.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 105.898 -1.409 -6.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 107.455 -0.920 -6.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 107.260 -2.002 -7.665 1.00 0.00 H new ATOM 1600 N LYS A 98 107.204 -0.759 -1.888 1.00 0.00 N ATOM 1601 CA LYS A 98 107.859 0.559 -2.101 1.00 0.00 C ATOM 1602 C LYS A 98 108.604 0.960 -0.828 1.00 0.00 C ATOM 1603 O LYS A 98 109.552 1.719 -0.862 1.00 0.00 O ATOM 1604 CB LYS A 98 106.793 1.613 -2.413 1.00 0.00 C ATOM 1605 CG LYS A 98 105.935 1.165 -3.605 1.00 0.00 C ATOM 1606 CD LYS A 98 106.730 1.294 -4.910 1.00 0.00 C ATOM 1607 CE LYS A 98 105.772 1.203 -6.099 1.00 0.00 C ATOM 1608 NZ LYS A 98 104.890 2.404 -6.118 1.00 0.00 N ATOM 0 H LYS A 98 106.198 -0.775 -2.058 1.00 0.00 H new ATOM 0 HA LYS A 98 108.559 0.490 -2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 98 106.160 1.770 -1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 98 107.270 2.567 -2.637 1.00 0.00 H new ATOM 0 HG2 LYS A 98 105.617 0.132 -3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 98 105.031 1.772 -3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 98 107.264 2.244 -4.931 1.00 0.00 H new ATOM 0 HD3 LYS A 98 107.480 0.505 -4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 98 106.335 1.137 -7.030 1.00 0.00 H new ATOM 0 HE3 LYS A 98 105.170 0.297 -6.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 104.610 2.614 -7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 104.040 2.220 -5.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 105.403 3.218 -5.723 1.00 0.00 H new ATOM 1622 N LYS A 99 108.177 0.457 0.298 1.00 0.00 N ATOM 1623 CA LYS A 99 108.850 0.806 1.573 1.00 0.00 C ATOM 1624 C LYS A 99 110.177 0.051 1.669 1.00 0.00 C ATOM 1625 O LYS A 99 111.200 0.618 2.000 1.00 0.00 O ATOM 1626 CB LYS A 99 107.941 0.414 2.737 1.00 0.00 C ATOM 1627 CG LYS A 99 108.661 0.668 4.062 1.00 0.00 C ATOM 1628 CD LYS A 99 107.683 0.488 5.226 1.00 0.00 C ATOM 1629 CE LYS A 99 108.302 1.054 6.505 1.00 0.00 C ATOM 1630 NZ LYS A 99 107.389 0.799 7.655 1.00 0.00 N ATOM 0 H LYS A 99 107.388 -0.183 0.386 1.00 0.00 H new ATOM 0 HA LYS A 99 109.047 1.877 1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 99 107.016 0.990 2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 99 107.665 -0.638 2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 99 109.499 -0.021 4.169 1.00 0.00 H new ATOM 0 HG3 LYS A 99 109.074 1.677 4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 99 106.744 0.997 5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 99 107.450 -0.568 5.359 1.00 0.00 H new ATOM 0 HE2 LYS A 99 109.272 0.591 6.688 1.00 0.00 H new ATOM 0 HE3 LYS A 99 108.475 2.125 6.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 107.810 1.184 8.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 106.473 1.260 7.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 107.246 -0.225 7.764 1.00 0.00 H new ATOM 1644 N LYS A 100 110.167 -1.225 1.374 1.00 0.00 N ATOM 1645 CA LYS A 100 111.425 -2.035 1.438 1.00 0.00 C ATOM 1646 C LYS A 100 111.927 -2.306 0.019 1.00 0.00 C ATOM 1647 O LYS A 100 111.453 -3.255 -0.585 1.00 0.00 O ATOM 1648 CB LYS A 100 111.136 -3.368 2.132 1.00 0.00 C ATOM 1649 CG LYS A 100 110.956 -3.133 3.633 1.00 0.00 C ATOM 1650 CD LYS A 100 110.405 -4.401 4.291 1.00 0.00 C ATOM 1651 CE LYS A 100 111.433 -5.532 4.187 1.00 0.00 C ATOM 1652 NZ LYS A 100 111.110 -6.588 5.187 1.00 0.00 N ATOM 1653 OXT LYS A 100 112.775 -1.559 -0.441 1.00 0.00 O ATOM 0 H LYS A 100 109.337 -1.745 1.090 1.00 0.00 H new ATOM 0 HA LYS A 100 112.183 -1.486 1.997 1.00 0.00 H new ATOM 0 HB2 LYS A 100 110.237 -3.821 1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 100 111.955 -4.066 1.958 1.00 0.00 H new ATOM 0 HG2 LYS A 100 111.910 -2.862 4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 100 110.275 -2.299 3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 100 110.171 -4.206 5.338 1.00 0.00 H new ATOM 0 HD3 LYS A 100 109.475 -4.698 3.806 1.00 0.00 H new ATOM 0 HE2 LYS A 100 111.426 -5.953 3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 100 112.436 -5.144 4.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 111.807 -7.357 5.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 111.138 -6.181 6.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 110.159 -6.965 4.999 1.00 0.00 H new TER 1667 LYS A 100 ATOM 1668 N SER B 1 86.200 -16.962 9.780 1.00 0.00 N ATOM 1669 CA SER B 1 87.598 -17.033 9.268 1.00 0.00 C ATOM 1670 C SER B 1 88.113 -15.618 8.997 1.00 0.00 C ATOM 1671 O SER B 1 88.109 -15.149 7.876 1.00 0.00 O ATOM 1672 CB SER B 1 87.626 -17.842 7.971 1.00 0.00 C ATOM 1673 OG SER B 1 88.959 -17.894 7.478 1.00 0.00 O ATOM 0 H1 SER B 1 85.849 -17.923 9.965 1.00 0.00 H new ATOM 0 H2 SER B 1 86.181 -16.411 10.662 1.00 0.00 H new ATOM 0 H3 SER B 1 85.594 -16.502 9.071 1.00 0.00 H new ATOM 0 HA SER B 1 88.233 -17.516 10.011 1.00 0.00 H new ATOM 0 HB2 SER B 1 87.253 -18.850 8.150 1.00 0.00 H new ATOM 0 HB3 SER B 1 86.970 -17.386 7.230 1.00 0.00 H new ATOM 0 HG SER B 1 88.980 -18.413 6.647 1.00 0.00 H new ATOM 1681 N TRP B 2 88.556 -14.934 10.016 1.00 0.00 N ATOM 1682 CA TRP B 2 89.071 -13.549 9.817 1.00 0.00 C ATOM 1683 C TRP B 2 90.352 -13.598 8.975 1.00 0.00 C ATOM 1684 O TRP B 2 90.841 -14.652 8.620 1.00 0.00 O ATOM 1685 CB TRP B 2 89.379 -12.914 11.190 1.00 0.00 C ATOM 1686 CG TRP B 2 88.163 -12.237 11.739 1.00 0.00 C ATOM 1687 CD1 TRP B 2 87.412 -12.700 12.762 1.00 0.00 C ATOM 1688 CD2 TRP B 2 87.558 -10.981 11.321 1.00 0.00 C ATOM 1689 NE1 TRP B 2 86.383 -11.806 13.001 1.00 0.00 N ATOM 1690 CE2 TRP B 2 86.431 -10.729 12.138 1.00 0.00 C ATOM 1691 CE3 TRP B 2 87.877 -10.044 10.323 1.00 0.00 C ATOM 1692 CZ2 TRP B 2 85.648 -9.587 11.970 1.00 0.00 C ATOM 1693 CZ3 TRP B 2 87.091 -8.893 10.151 1.00 0.00 C ATOM 1694 CH2 TRP B 2 85.982 -8.664 10.973 1.00 0.00 C ATOM 0 H TRP B 2 88.584 -15.274 10.977 1.00 0.00 H new ATOM 0 HA TRP B 2 88.320 -12.951 9.301 1.00 0.00 H new ATOM 0 HB2 TRP B 2 89.719 -13.682 11.884 1.00 0.00 H new ATOM 0 HB3 TRP B 2 90.190 -12.193 11.090 1.00 0.00 H new ATOM 0 HD1 TRP B 2 87.586 -13.618 13.304 1.00 0.00 H new ATOM 0 HE1 TRP B 2 85.676 -11.928 13.726 1.00 0.00 H new ATOM 0 HE3 TRP B 2 88.732 -10.210 9.684 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 84.791 -9.417 12.604 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 87.344 -8.180 9.380 1.00 0.00 H new ATOM 0 HH2 TRP B 2 85.384 -7.775 10.838 1.00 0.00 H new ATOM 1705 N VAL B 3 90.896 -12.454 8.666 1.00 0.00 N ATOM 1706 CA VAL B 3 92.145 -12.394 7.863 1.00 0.00 C ATOM 1707 C VAL B 3 92.860 -11.082 8.200 1.00 0.00 C ATOM 1708 O VAL B 3 92.236 -10.050 8.349 1.00 0.00 O ATOM 1709 CB VAL B 3 91.800 -12.461 6.370 1.00 0.00 C ATOM 1710 CG1 VAL B 3 90.602 -11.561 6.087 1.00 0.00 C ATOM 1711 CG2 VAL B 3 93.004 -12.004 5.530 1.00 0.00 C ATOM 0 H VAL B 3 90.521 -11.546 8.941 1.00 0.00 H new ATOM 0 HA VAL B 3 92.797 -13.236 8.095 1.00 0.00 H new ATOM 0 HB VAL B 3 91.555 -13.489 6.103 1.00 0.00 H new ATOM 0 HG11 VAL B 3 90.355 -11.607 5.026 1.00 0.00 H new ATOM 0 HG12 VAL B 3 89.747 -11.898 6.674 1.00 0.00 H new ATOM 0 HG13 VAL B 3 90.846 -10.534 6.358 1.00 0.00 H new ATOM 0 HG21 VAL B 3 92.749 -12.055 4.471 1.00 0.00 H new ATOM 0 HG22 VAL B 3 93.262 -10.978 5.792 1.00 0.00 H new ATOM 0 HG23 VAL B 3 93.855 -12.655 5.730 1.00 0.00 H new HETATM 1721 N PTR B 4 94.161 -11.124 8.348 1.00 0.00 N HETATM 1722 CA PTR B 4 94.934 -9.891 8.710 1.00 0.00 C HETATM 1723 C PTR B 4 95.837 -9.476 7.545 1.00 0.00 C HETATM 1724 O PTR B 4 96.037 -10.217 6.602 1.00 0.00 O HETATM 1725 CB PTR B 4 95.795 -10.189 9.947 1.00 0.00 C HETATM 1726 CG PTR B 4 94.939 -10.132 11.198 1.00 0.00 C HETATM 1727 CD1 PTR B 4 93.863 -11.019 11.356 1.00 0.00 C HETATM 1728 CD2 PTR B 4 95.219 -9.192 12.202 1.00 0.00 C HETATM 1729 CE1 PTR B 4 93.072 -10.963 12.509 1.00 0.00 C HETATM 1730 CE2 PTR B 4 94.427 -9.140 13.355 1.00 0.00 C HETATM 1731 CZ PTR B 4 93.354 -10.025 13.508 1.00 0.00 C HETATM 1732 OH PTR B 4 92.515 -9.965 14.726 1.00 0.00 O HETATM 1733 P PTR B 4 93.030 -10.936 15.717 1.00 0.00 P HETATM 1734 O1P PTR B 4 94.447 -10.629 16.018 1.00 0.00 O HETATM 1735 O2P PTR B 4 92.928 -12.305 15.166 1.00 0.00 O HETATM 1736 O3P PTR B 4 92.231 -10.843 16.959 1.00 0.00 O HETATM 0 HE2 PTR B 4 94.646 -8.410 14.134 1.00 0.00 H new HETATM 0 HE1 PTR B 4 92.235 -11.651 12.629 1.00 0.00 H new HETATM 0 HD2 PTR B 4 96.054 -8.502 12.084 1.00 0.00 H new HETATM 0 HD1 PTR B 4 93.643 -11.752 10.580 1.00 0.00 H new HETATM 0 HB3 PTR B 4 96.253 -11.174 9.854 1.00 0.00 H new HETATM 0 HB2 PTR B 4 96.607 -9.466 10.018 1.00 0.00 H new HETATM 0 HA PTR B 4 94.241 -9.078 8.925 1.00 0.00 H new ATOM 1745 N SER B 5 96.380 -8.286 7.611 1.00 0.00 N ATOM 1746 CA SER B 5 97.276 -7.783 6.523 1.00 0.00 C ATOM 1747 C SER B 5 98.735 -7.809 7.021 1.00 0.00 C ATOM 1748 O SER B 5 98.963 -7.710 8.211 1.00 0.00 O ATOM 1749 CB SER B 5 96.878 -6.340 6.203 1.00 0.00 C ATOM 1750 OG SER B 5 96.581 -5.658 7.415 1.00 0.00 O ATOM 0 H SER B 5 96.239 -7.633 8.382 1.00 0.00 H new ATOM 0 HA SER B 5 97.183 -8.407 5.634 1.00 0.00 H new ATOM 0 HB2 SER B 5 97.688 -5.835 5.676 1.00 0.00 H new ATOM 0 HB3 SER B 5 96.011 -6.327 5.542 1.00 0.00 H new ATOM 0 HG SER B 5 95.910 -4.965 7.244 1.00 0.00 H new ATOM 1756 N PRO B 6 99.692 -7.923 6.117 1.00 0.00 N ATOM 1757 CA PRO B 6 101.112 -7.934 6.515 1.00 0.00 C ATOM 1758 C PRO B 6 101.441 -6.638 7.274 1.00 0.00 C ATOM 1759 O PRO B 6 102.380 -6.577 8.042 1.00 0.00 O ATOM 1760 CB PRO B 6 101.900 -8.027 5.185 1.00 0.00 C ATOM 1761 CG PRO B 6 100.862 -7.974 4.026 1.00 0.00 C ATOM 1762 CD PRO B 6 99.456 -8.049 4.660 1.00 0.00 C ATOM 0 HA PRO B 6 101.363 -8.761 7.179 1.00 0.00 H new ATOM 0 HB2 PRO B 6 102.611 -7.205 5.102 1.00 0.00 H new ATOM 0 HB3 PRO B 6 102.475 -8.952 5.143 1.00 0.00 H new ATOM 0 HG2 PRO B 6 100.975 -7.055 3.451 1.00 0.00 H new ATOM 0 HG3 PRO B 6 101.016 -8.803 3.335 1.00 0.00 H new ATOM 0 HD2 PRO B 6 98.813 -7.249 4.293 1.00 0.00 H new ATOM 0 HD3 PRO B 6 98.963 -8.991 4.419 1.00 0.00 H new ATOM 1770 N LEU B 7 100.670 -5.604 7.060 1.00 0.00 N ATOM 1771 CA LEU B 7 100.930 -4.316 7.760 1.00 0.00 C ATOM 1772 C LEU B 7 101.139 -4.581 9.254 1.00 0.00 C ATOM 1773 O LEU B 7 100.715 -5.590 9.780 1.00 0.00 O ATOM 1774 CB LEU B 7 99.728 -3.380 7.579 1.00 0.00 C ATOM 1775 CG LEU B 7 99.434 -3.162 6.081 1.00 0.00 C ATOM 1776 CD1 LEU B 7 97.974 -2.735 5.900 1.00 0.00 C ATOM 1777 CD2 LEU B 7 100.343 -2.060 5.521 1.00 0.00 C ATOM 0 H LEU B 7 99.869 -5.598 6.428 1.00 0.00 H new ATOM 0 HA LEU B 7 101.822 -3.851 7.340 1.00 0.00 H new ATOM 0 HB2 LEU B 7 98.852 -3.804 8.070 1.00 0.00 H new ATOM 0 HB3 LEU B 7 99.930 -2.422 8.059 1.00 0.00 H new ATOM 0 HG LEU B 7 99.619 -4.095 5.549 1.00 0.00 H new ATOM 0 HD11 LEU B 7 97.768 -2.581 4.841 1.00 0.00 H new ATOM 0 HD12 LEU B 7 97.317 -3.513 6.288 1.00 0.00 H new ATOM 0 HD13 LEU B 7 97.797 -1.806 6.442 1.00 0.00 H new ATOM 0 HD21 LEU B 7 100.128 -1.914 4.463 1.00 0.00 H new ATOM 0 HD22 LEU B 7 100.162 -1.130 6.060 1.00 0.00 H new ATOM 0 HD23 LEU B 7 101.386 -2.352 5.642 1.00 0.00 H new ATOM 1789 N HIS B 8 101.785 -3.679 9.940 1.00 0.00 N ATOM 1790 CA HIS B 8 102.018 -3.875 11.396 1.00 0.00 C ATOM 1791 C HIS B 8 100.675 -3.870 12.130 1.00 0.00 C ATOM 1792 O HIS B 8 99.855 -3.023 11.817 1.00 0.00 O ATOM 1793 CB HIS B 8 102.894 -2.736 11.924 1.00 0.00 C ATOM 1794 CG HIS B 8 104.317 -2.951 11.489 1.00 0.00 C ATOM 1795 ND1 HIS B 8 105.176 -3.803 12.166 1.00 0.00 N ATOM 1796 CD2 HIS B 8 105.047 -2.434 10.447 1.00 0.00 C ATOM 1797 CE1 HIS B 8 106.361 -3.773 11.530 1.00 0.00 C ATOM 1798 NE2 HIS B 8 106.338 -2.954 10.476 1.00 0.00 N ATOM 1799 OXT HIS B 8 100.490 -4.714 12.992 1.00 0.00 O ATOM 0 H HIS B 8 102.162 -2.814 9.553 1.00 0.00 H new ATOM 0 HA HIS B 8 102.519 -4.828 11.563 1.00 0.00 H new ATOM 0 HB2 HIS B 8 102.529 -1.780 11.550 1.00 0.00 H new ATOM 0 HB3 HIS B 8 102.838 -2.695 13.012 1.00 0.00 H new ATOM 0 HD2 HIS B 8 104.676 -1.731 9.716 1.00 0.00 H new ATOM 0 HE1 HIS B 8 107.226 -4.343 11.835 1.00 0.00 H new ATOM 0 HE2 HIS B 8 107.102 -2.753 9.831 1.00 0.00 H new TER 1807 HIS B 8