USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 643 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 SER OG : rot 94:sc= 0.307 USER MOD Set 1.2: A 37 GLN : amide:sc= 1.59 K(o=1.9,f=-2!) USER MOD Set 2.1: A 3 GLN :FLIP amide:sc= -2.02 F(o=-2.8,f=-2) USER MOD Set 2.2: A 49 THR OG1 : rot -96:sc= 0.0252 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 158:sc= -0.0344 (180deg=-0.78) USER MOD Single : A 8 CYS SG : rot 13:sc= -0.134 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0451 K(o=-0.045,f=-1.9) USER MOD Single : A 20 ASN : amide:sc= 0.532 K(o=0.53,f=-0.0092) USER MOD Single : A 25 MET CE :methyl 153:sc= -0.0248 (180deg=-0.668) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0917 X(o=-0.092,f=0.013) USER MOD Single : A 30 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.3) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0014) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 59:sc= 1.27 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0551 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 163:sc= -0.091 (180deg=-0.564) USER MOD Single : A 69 ASN : amide:sc= -0.0679 K(o=-0.068,f=-1.4!) USER MOD Single : A 72 ASN : amide:sc= -0.553 X(o=-0.55,f=-0.97) USER MOD Single : A 82 THR OG1 : rot -40:sc= -1.49 USER MOD Single : A 83 LYS NZ :NH3+ -129:sc= -0.324 (180deg=-3.64!) USER MOD Single : A 84 GLN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 85 GLN : amide:sc= -0.0201 X(o=-0.02,f=-0.02) USER MOD Single : A 88 THR OG1 : rot 69:sc= 1.21 USER MOD Single : A 91 GLN : amide:sc= -1.24 X(o=-1.2,f=-1) USER MOD Single : A 92 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.413) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 3.011 -1.217 -1.315 1.00 53.24 C ATOM 4 O MET A 1 3.751 -1.506 -0.375 1.00 72.41 O ATOM 5 CB MET A 1 2.917 1.283 -1.360 1.00 30.20 C ATOM 6 CG MET A 1 2.173 2.423 -2.036 1.00 61.14 C ATOM 7 SD MET A 1 2.986 4.016 -1.806 1.00 72.23 S ATOM 8 CE MET A 1 1.605 5.135 -2.024 1.00 53.22 C ATOM 0 H1 MET A 1 0.712 0.837 0.027 1.00 0.00 H new ATOM 0 H2 MET A 1 0.748 -0.861 0.051 1.00 0.00 H new ATOM 0 H3 MET A 1 1.982 0.025 0.809 1.00 0.00 H new ATOM 0 HA MET A 1 1.389 -0.050 -2.072 1.00 52.33 H new ATOM 0 HB2 MET A 1 3.224 1.601 -0.364 1.00 30.20 H new ATOM 0 HB3 MET A 1 3.827 1.071 -1.921 1.00 30.20 H new ATOM 0 HG2 MET A 1 2.087 2.214 -3.102 1.00 61.14 H new ATOM 0 HG3 MET A 1 1.159 2.476 -1.639 1.00 61.14 H new ATOM 0 HE1 MET A 1 1.948 6.163 -1.911 1.00 53.22 H new ATOM 0 HE2 MET A 1 1.182 5.001 -3.020 1.00 53.22 H new ATOM 0 HE3 MET A 1 0.843 4.923 -1.274 1.00 53.22 H new ATOM 18 N LYS A 2 2.958 -1.926 -2.438 1.00 13.12 N ATOM 19 CA LYS A 2 3.785 -3.110 -2.635 1.00 33.52 C ATOM 20 C LYS A 2 4.738 -2.919 -3.810 1.00 72.33 C ATOM 21 O LYS A 2 4.306 -2.788 -4.955 1.00 40.31 O ATOM 22 CB LYS A 2 2.904 -4.339 -2.873 1.00 54.25 C ATOM 23 CG LYS A 2 2.117 -4.770 -1.648 1.00 74.21 C ATOM 24 CD LYS A 2 3.020 -5.387 -0.594 1.00 22.22 C ATOM 25 CE LYS A 2 3.165 -6.888 -0.793 1.00 32.21 C ATOM 26 NZ LYS A 2 2.127 -7.650 -0.044 1.00 50.41 N ATOM 0 H LYS A 2 2.350 -1.701 -3.226 1.00 13.12 H new ATOM 0 HA LYS A 2 4.376 -3.264 -1.732 1.00 33.52 H new ATOM 0 HB2 LYS A 2 2.208 -4.125 -3.685 1.00 54.25 H new ATOM 0 HB3 LYS A 2 3.532 -5.167 -3.201 1.00 54.25 H new ATOM 0 HG2 LYS A 2 1.599 -3.909 -1.226 1.00 74.21 H new ATOM 0 HG3 LYS A 2 1.353 -5.490 -1.940 1.00 74.21 H new ATOM 0 HD2 LYS A 2 4.003 -4.917 -0.635 1.00 22.22 H new ATOM 0 HD3 LYS A 2 2.613 -5.188 0.397 1.00 22.22 H new ATOM 0 HE2 LYS A 2 3.092 -7.122 -1.855 1.00 32.21 H new ATOM 0 HE3 LYS A 2 4.155 -7.204 -0.464 1.00 32.21 H new ATOM 0 HZ1 LYS A 2 2.010 -8.590 -0.472 1.00 50.41 H new ATOM 0 HZ2 LYS A 2 2.422 -7.756 0.948 1.00 50.41 H new ATOM 0 HZ3 LYS A 2 1.223 -7.137 -0.084 1.00 50.41 H new ATOM 40 N GLN A 3 6.034 -2.907 -3.519 1.00 5.42 N ATOM 41 CA GLN A 3 7.048 -2.732 -4.553 1.00 33.31 C ATOM 42 C GLN A 3 7.605 -4.079 -5.002 1.00 34.33 C ATOM 43 O GLN A 3 8.396 -4.703 -4.294 1.00 10.41 O ATOM 44 CB GLN A 3 8.182 -1.843 -4.040 1.00 70.24 C ATOM 45 CG GLN A 3 9.187 -1.459 -5.115 1.00 33.24 C ATOM 46 CD GLN A 3 10.046 -0.276 -4.714 1.00 54.12 C ATOM 47 OE1 GLN A 3 11.319 -0.534 -4.441 1.00 11.00 O flip ATOM 48 NE2 GLN A 3 9.570 0.858 -4.651 1.00 22.12 N flip ATOM 0 H GLN A 3 6.407 -3.016 -2.576 1.00 5.42 H new ATOM 0 HA GLN A 3 6.578 -2.250 -5.410 1.00 33.31 H new ATOM 0 HB2 GLN A 3 7.756 -0.936 -3.612 1.00 70.24 H new ATOM 0 HB3 GLN A 3 8.703 -2.361 -3.235 1.00 70.24 H new ATOM 0 HG2 GLN A 3 9.829 -2.314 -5.329 1.00 33.24 H new ATOM 0 HG3 GLN A 3 8.655 -1.221 -6.036 1.00 33.24 H new ATOM 0 HE21 GLN A 3 8.585 1.011 -4.870 1.00 22.12 H new ATOM 0 HE22 GLN A 3 10.160 1.645 -4.380 1.00 22.12 H new ATOM 57 N VAL A 4 7.186 -4.524 -6.182 1.00 52.45 N ATOM 58 CA VAL A 4 7.643 -5.797 -6.726 1.00 43.44 C ATOM 59 C VAL A 4 8.591 -5.583 -7.901 1.00 61.43 C ATOM 60 O VAL A 4 8.225 -4.971 -8.905 1.00 41.14 O ATOM 61 CB VAL A 4 6.460 -6.668 -7.187 1.00 53.24 C ATOM 62 CG1 VAL A 4 6.938 -8.060 -7.570 1.00 23.14 C ATOM 63 CG2 VAL A 4 5.397 -6.740 -6.101 1.00 51.35 C ATOM 0 H VAL A 4 6.530 -4.021 -6.780 1.00 52.45 H new ATOM 0 HA VAL A 4 8.172 -6.312 -5.924 1.00 43.44 H new ATOM 0 HB VAL A 4 6.015 -6.208 -8.069 1.00 53.24 H new ATOM 0 HG11 VAL A 4 6.088 -8.661 -7.893 1.00 23.14 H new ATOM 0 HG12 VAL A 4 7.660 -7.986 -8.383 1.00 23.14 H new ATOM 0 HG13 VAL A 4 7.410 -8.533 -6.708 1.00 23.14 H new ATOM 0 HG21 VAL A 4 4.568 -7.359 -6.444 1.00 51.35 H new ATOM 0 HG22 VAL A 4 5.827 -7.176 -5.199 1.00 51.35 H new ATOM 0 HG23 VAL A 4 5.033 -5.736 -5.881 1.00 51.35 H new ATOM 73 N LEU A 5 9.811 -6.093 -7.770 1.00 51.20 N ATOM 74 CA LEU A 5 10.813 -5.959 -8.822 1.00 22.04 C ATOM 75 C LEU A 5 10.691 -7.091 -9.837 1.00 42.52 C ATOM 76 O LEU A 5 9.926 -8.035 -9.642 1.00 12.35 O ATOM 77 CB LEU A 5 12.218 -5.951 -8.216 1.00 40.14 C ATOM 78 CG LEU A 5 12.696 -4.615 -7.647 1.00 13.33 C ATOM 79 CD1 LEU A 5 11.818 -4.187 -6.481 1.00 30.33 C ATOM 80 CD2 LEU A 5 14.152 -4.709 -7.214 1.00 74.41 C ATOM 0 H LEU A 5 10.130 -6.603 -6.946 1.00 51.20 H new ATOM 0 HA LEU A 5 10.640 -5.014 -9.337 1.00 22.04 H new ATOM 0 HB2 LEU A 5 12.253 -6.695 -7.420 1.00 40.14 H new ATOM 0 HB3 LEU A 5 12.924 -6.270 -8.982 1.00 40.14 H new ATOM 0 HG LEU A 5 12.619 -3.860 -8.430 1.00 13.33 H new ATOM 0 HD11 LEU A 5 12.173 -3.234 -6.089 1.00 30.33 H new ATOM 0 HD12 LEU A 5 10.788 -4.078 -6.822 1.00 30.33 H new ATOM 0 HD13 LEU A 5 11.862 -4.942 -5.696 1.00 30.33 H new ATOM 0 HD21 LEU A 5 14.475 -3.749 -6.812 1.00 74.41 H new ATOM 0 HD22 LEU A 5 14.255 -5.477 -6.447 1.00 74.41 H new ATOM 0 HD23 LEU A 5 14.771 -4.969 -8.073 1.00 74.41 H new ATOM 92 N VAL A 6 11.453 -6.990 -10.922 1.00 54.32 N ATOM 93 CA VAL A 6 11.432 -8.006 -11.967 1.00 65.14 C ATOM 94 C VAL A 6 12.783 -8.099 -12.669 1.00 74.23 C ATOM 95 O VAL A 6 13.172 -7.197 -13.410 1.00 71.12 O ATOM 96 CB VAL A 6 10.341 -7.713 -13.014 1.00 61.31 C ATOM 97 CG1 VAL A 6 10.361 -8.763 -14.114 1.00 71.34 C ATOM 98 CG2 VAL A 6 8.973 -7.648 -12.353 1.00 31.15 C ATOM 0 H VAL A 6 12.092 -6.215 -11.100 1.00 54.32 H new ATOM 0 HA VAL A 6 11.211 -8.956 -11.480 1.00 65.14 H new ATOM 0 HB VAL A 6 10.547 -6.743 -13.467 1.00 61.31 H new ATOM 0 HG11 VAL A 6 9.583 -8.540 -14.844 1.00 71.34 H new ATOM 0 HG12 VAL A 6 11.334 -8.756 -14.606 1.00 71.34 H new ATOM 0 HG13 VAL A 6 10.180 -9.747 -13.681 1.00 71.34 H new ATOM 0 HG21 VAL A 6 8.214 -7.440 -13.107 1.00 31.15 H new ATOM 0 HG22 VAL A 6 8.755 -8.602 -11.872 1.00 31.15 H new ATOM 0 HG23 VAL A 6 8.968 -6.855 -11.605 1.00 31.15 H new ATOM 108 N ALA A 7 13.493 -9.197 -12.431 1.00 73.11 N ATOM 109 CA ALA A 7 14.799 -9.410 -13.042 1.00 54.25 C ATOM 110 C ALA A 7 14.818 -10.695 -13.863 1.00 21.34 C ATOM 111 O ALA A 7 14.787 -11.796 -13.310 1.00 52.32 O ATOM 112 CB ALA A 7 15.882 -9.446 -11.974 1.00 73.45 C ATOM 0 H ALA A 7 13.185 -9.953 -11.819 1.00 73.11 H new ATOM 0 HA ALA A 7 14.998 -8.577 -13.716 1.00 54.25 H new ATOM 0 HB1 ALA A 7 16.852 -9.606 -12.445 1.00 73.45 H new ATOM 0 HB2 ALA A 7 15.892 -8.499 -11.434 1.00 73.45 H new ATOM 0 HB3 ALA A 7 15.679 -10.259 -11.277 1.00 73.45 H new ATOM 118 N CYS A 8 14.869 -10.549 -15.182 1.00 0.02 N ATOM 119 CA CYS A 8 14.891 -11.699 -16.078 1.00 70.34 C ATOM 120 C CYS A 8 16.165 -11.711 -16.917 1.00 10.12 C ATOM 121 O CYS A 8 16.681 -10.660 -17.296 1.00 33.23 O ATOM 122 CB CYS A 8 13.665 -11.683 -16.992 1.00 73.42 C ATOM 123 SG CYS A 8 13.702 -10.390 -18.255 1.00 13.32 S ATOM 0 H CYS A 8 14.896 -9.646 -15.655 1.00 0.02 H new ATOM 0 HA CYS A 8 14.870 -12.603 -15.469 1.00 70.34 H new ATOM 0 HB2 CYS A 8 13.578 -12.653 -17.482 1.00 73.42 H new ATOM 0 HB3 CYS A 8 12.772 -11.554 -16.381 1.00 73.42 H new ATOM 0 HG CYS A 8 14.897 -9.882 -18.321 1.00 13.32 H new ATOM 196 N SER A 15 12.428 -7.291 -18.917 1.00 2.42 N ATOM 197 CA SER A 15 11.153 -7.989 -18.798 1.00 4.40 C ATOM 198 C SER A 15 10.010 -7.125 -19.323 1.00 22.14 C ATOM 199 O SER A 15 9.426 -6.331 -18.584 1.00 42.14 O ATOM 200 CB SER A 15 10.891 -8.371 -17.340 1.00 62.00 C ATOM 201 OG SER A 15 11.390 -7.383 -16.456 1.00 4.52 O ATOM 0 HA SER A 15 11.206 -8.896 -19.400 1.00 4.40 H new ATOM 0 HB2 SER A 15 9.820 -8.498 -17.181 1.00 62.00 H new ATOM 0 HB3 SER A 15 11.362 -9.330 -17.122 1.00 62.00 H new ATOM 0 HG SER A 15 10.672 -6.756 -16.227 1.00 4.52 H new ATOM 207 N THR A 16 9.695 -7.286 -20.604 1.00 43.12 N ATOM 208 CA THR A 16 8.624 -6.521 -21.230 1.00 34.54 C ATOM 209 C THR A 16 7.281 -7.224 -21.069 1.00 34.43 C ATOM 210 O THR A 16 6.337 -6.663 -20.512 1.00 3.32 O ATOM 211 CB THR A 16 8.896 -6.296 -22.729 1.00 13.32 C ATOM 212 OG1 THR A 16 10.284 -6.016 -22.938 1.00 64.21 O ATOM 213 CG2 THR A 16 8.056 -5.146 -23.264 1.00 75.01 C ATOM 0 H THR A 16 10.167 -7.940 -21.229 1.00 43.12 H new ATOM 0 HA THR A 16 8.589 -5.555 -20.726 1.00 34.54 H new ATOM 0 HB THR A 16 8.624 -7.205 -23.266 1.00 13.32 H new ATOM 0 HG1 THR A 16 10.449 -5.876 -23.894 1.00 64.21 H new ATOM 0 HG21 THR A 16 8.265 -5.006 -24.325 1.00 75.01 H new ATOM 0 HG22 THR A 16 6.999 -5.374 -23.130 1.00 75.01 H new ATOM 0 HG23 THR A 16 8.302 -4.233 -22.722 1.00 75.01 H new ATOM 221 N VAL A 17 7.201 -8.457 -21.559 1.00 74.33 N ATOM 222 CA VAL A 17 5.973 -9.238 -21.468 1.00 73.21 C ATOM 223 C VAL A 17 5.487 -9.332 -20.026 1.00 51.11 C ATOM 224 O VAL A 17 4.315 -9.088 -19.737 1.00 63.12 O ATOM 225 CB VAL A 17 6.169 -10.660 -22.026 1.00 24.54 C ATOM 226 CG1 VAL A 17 4.904 -11.485 -21.845 1.00 53.42 C ATOM 227 CG2 VAL A 17 6.576 -10.607 -23.490 1.00 42.44 C ATOM 0 H VAL A 17 7.972 -8.937 -22.023 1.00 74.33 H new ATOM 0 HA VAL A 17 5.224 -8.721 -22.068 1.00 73.21 H new ATOM 0 HB VAL A 17 6.971 -11.142 -21.467 1.00 24.54 H new ATOM 0 HG11 VAL A 17 5.062 -12.486 -22.245 1.00 53.42 H new ATOM 0 HG12 VAL A 17 4.662 -11.552 -20.784 1.00 53.42 H new ATOM 0 HG13 VAL A 17 4.080 -11.008 -22.375 1.00 53.42 H new ATOM 0 HG21 VAL A 17 6.710 -11.621 -23.867 1.00 42.44 H new ATOM 0 HG22 VAL A 17 5.798 -10.105 -24.066 1.00 42.44 H new ATOM 0 HG23 VAL A 17 7.512 -10.057 -23.588 1.00 42.44 H new ATOM 237 N VAL A 18 6.396 -9.687 -19.123 1.00 54.41 N ATOM 238 CA VAL A 18 6.061 -9.811 -17.710 1.00 33.34 C ATOM 239 C VAL A 18 5.446 -8.523 -17.175 1.00 13.11 C ATOM 240 O VAL A 18 4.302 -8.510 -16.722 1.00 71.51 O ATOM 241 CB VAL A 18 7.302 -10.163 -16.868 1.00 14.13 C ATOM 242 CG1 VAL A 18 6.906 -10.453 -15.428 1.00 75.20 C ATOM 243 CG2 VAL A 18 8.039 -11.346 -17.475 1.00 63.33 C ATOM 0 H VAL A 18 7.370 -9.894 -19.345 1.00 54.41 H new ATOM 0 HA VAL A 18 5.334 -10.619 -17.627 1.00 33.34 H new ATOM 0 HB VAL A 18 7.975 -9.306 -16.869 1.00 14.13 H new ATOM 0 HG11 VAL A 18 7.796 -10.700 -14.849 1.00 75.20 H new ATOM 0 HG12 VAL A 18 6.426 -9.574 -14.999 1.00 75.20 H new ATOM 0 HG13 VAL A 18 6.213 -11.294 -15.404 1.00 75.20 H new ATOM 0 HG21 VAL A 18 8.913 -11.581 -16.867 1.00 63.33 H new ATOM 0 HG22 VAL A 18 7.376 -12.211 -17.506 1.00 63.33 H new ATOM 0 HG23 VAL A 18 8.357 -11.096 -18.487 1.00 63.33 H new ATOM 253 N ASN A 19 6.213 -7.439 -17.231 1.00 63.33 N ATOM 254 CA ASN A 19 5.744 -6.144 -16.752 1.00 72.34 C ATOM 255 C ASN A 19 4.434 -5.755 -17.431 1.00 60.43 C ATOM 256 O ASN A 19 3.422 -5.533 -16.768 1.00 71.14 O ATOM 257 CB ASN A 19 6.802 -5.069 -17.007 1.00 0.12 C ATOM 258 CG ASN A 19 6.276 -3.669 -16.756 1.00 13.02 C ATOM 259 OD1 ASN A 19 5.438 -3.457 -15.879 1.00 0.31 O ATOM 260 ND2 ASN A 19 6.766 -2.706 -17.527 1.00 51.42 N ATOM 0 H ASN A 19 7.163 -7.432 -17.604 1.00 63.33 H new ATOM 0 HA ASN A 19 5.567 -6.223 -15.679 1.00 72.34 H new ATOM 0 HB2 ASN A 19 7.663 -5.251 -16.364 1.00 0.12 H new ATOM 0 HB3 ASN A 19 7.151 -5.144 -18.037 1.00 0.12 H new ATOM 0 HD21 ASN A 19 6.449 -1.744 -17.405 1.00 51.42 H new ATOM 0 HD22 ASN A 19 7.459 -2.928 -18.241 1.00 51.42 H new ATOM 267 N ASN A 20 4.462 -5.676 -18.758 1.00 22.13 N ATOM 268 CA ASN A 20 3.277 -5.314 -19.527 1.00 62.30 C ATOM 269 C ASN A 20 2.085 -6.179 -19.129 1.00 62.41 C ATOM 270 O ASN A 20 0.941 -5.728 -19.157 1.00 12.24 O ATOM 271 CB ASN A 20 3.551 -5.462 -21.025 1.00 24.10 C ATOM 272 CG ASN A 20 4.275 -4.260 -21.602 1.00 31.54 C ATOM 273 OD1 ASN A 20 3.697 -3.476 -22.353 1.00 54.44 O ATOM 274 ND2 ASN A 20 5.547 -4.112 -21.251 1.00 41.21 N ATOM 0 H ASN A 20 5.292 -5.858 -19.322 1.00 22.13 H new ATOM 0 HA ASN A 20 3.037 -4.273 -19.309 1.00 62.30 H new ATOM 0 HB2 ASN A 20 4.147 -6.358 -21.196 1.00 24.10 H new ATOM 0 HB3 ASN A 20 2.607 -5.602 -21.552 1.00 24.10 H new ATOM 0 HD21 ASN A 20 6.086 -3.323 -21.607 1.00 41.21 H new ATOM 0 HD22 ASN A 20 5.985 -4.788 -20.625 1.00 41.21 H new ATOM 281 N ALA A 21 2.363 -7.425 -18.759 1.00 34.31 N ATOM 282 CA ALA A 21 1.314 -8.353 -18.353 1.00 2.03 C ATOM 283 C ALA A 21 0.798 -8.021 -16.957 1.00 22.13 C ATOM 284 O ALA A 21 -0.378 -7.701 -16.779 1.00 64.53 O ATOM 285 CB ALA A 21 1.828 -9.784 -18.401 1.00 62.31 C ATOM 0 H ALA A 21 3.305 -7.815 -18.732 1.00 34.31 H new ATOM 0 HA ALA A 21 0.484 -8.253 -19.052 1.00 2.03 H new ATOM 0 HB1 ALA A 21 1.035 -10.466 -18.095 1.00 62.31 H new ATOM 0 HB2 ALA A 21 2.142 -10.024 -19.417 1.00 62.31 H new ATOM 0 HB3 ALA A 21 2.677 -9.889 -17.725 1.00 62.31 H new ATOM 291 N ILE A 22 1.684 -8.100 -15.969 1.00 40.34 N ATOM 292 CA ILE A 22 1.317 -7.807 -14.589 1.00 60.14 C ATOM 293 C ILE A 22 0.615 -6.458 -14.482 1.00 1.34 C ATOM 294 O ILE A 22 -0.485 -6.362 -13.939 1.00 52.52 O ATOM 295 CB ILE A 22 2.550 -7.807 -13.667 1.00 3.21 C ATOM 296 CG1 ILE A 22 3.243 -9.171 -13.705 1.00 12.35 C ATOM 297 CG2 ILE A 22 2.147 -7.450 -12.244 1.00 21.41 C ATOM 298 CD1 ILE A 22 2.339 -10.318 -13.311 1.00 23.14 C ATOM 0 H ILE A 22 2.661 -8.364 -16.099 1.00 40.34 H new ATOM 0 HA ILE A 22 0.635 -8.595 -14.269 1.00 60.14 H new ATOM 0 HB ILE A 22 3.253 -7.054 -14.024 1.00 3.21 H new ATOM 0 HG12 ILE A 22 3.624 -9.348 -14.711 1.00 12.35 H new ATOM 0 HG13 ILE A 22 4.104 -9.151 -13.037 1.00 12.35 H new ATOM 0 HG21 ILE A 22 3.029 -7.454 -11.604 1.00 21.41 H new ATOM 0 HG22 ILE A 22 1.695 -6.458 -12.232 1.00 21.41 H new ATOM 0 HG23 ILE A 22 1.428 -8.181 -11.875 1.00 21.41 H new ATOM 0 HD11 ILE A 22 2.896 -11.254 -13.360 1.00 23.14 H new ATOM 0 HD12 ILE A 22 1.978 -10.164 -12.294 1.00 23.14 H new ATOM 0 HD13 ILE A 22 1.491 -10.364 -13.994 1.00 23.14 H new ATOM 310 N GLU A 23 1.259 -5.418 -15.004 1.00 30.44 N ATOM 311 CA GLU A 23 0.695 -4.074 -14.966 1.00 61.25 C ATOM 312 C GLU A 23 -0.734 -4.069 -15.501 1.00 51.22 C ATOM 313 O GLU A 23 -1.574 -3.292 -15.048 1.00 43.43 O ATOM 314 CB GLU A 23 1.560 -3.111 -15.782 1.00 62.45 C ATOM 315 CG GLU A 23 1.391 -3.265 -17.285 1.00 15.34 C ATOM 316 CD GLU A 23 2.226 -2.273 -18.070 1.00 42.13 C ATOM 317 OE1 GLU A 23 2.011 -2.156 -19.295 1.00 63.21 O ATOM 318 OE2 GLU A 23 3.095 -1.614 -17.461 1.00 75.13 O ATOM 0 H GLU A 23 2.170 -5.481 -15.458 1.00 30.44 H new ATOM 0 HA GLU A 23 0.677 -3.744 -13.927 1.00 61.25 H new ATOM 0 HB2 GLU A 23 1.314 -2.087 -15.500 1.00 62.45 H new ATOM 0 HB3 GLU A 23 2.607 -3.269 -15.524 1.00 62.45 H new ATOM 0 HG2 GLU A 23 1.668 -4.278 -17.576 1.00 15.34 H new ATOM 0 HG3 GLU A 23 0.340 -3.135 -17.544 1.00 15.34 H new ATOM 325 N GLU A 24 -1.001 -4.941 -16.468 1.00 34.31 N ATOM 326 CA GLU A 24 -2.328 -5.036 -17.065 1.00 52.14 C ATOM 327 C GLU A 24 -3.312 -5.697 -16.104 1.00 0.41 C ATOM 328 O GLU A 24 -4.481 -5.319 -16.040 1.00 34.05 O ATOM 329 CB GLU A 24 -2.268 -5.827 -18.374 1.00 5.13 C ATOM 330 CG GLU A 24 -3.497 -5.650 -19.249 1.00 64.14 C ATOM 331 CD GLU A 24 -3.798 -4.194 -19.545 1.00 10.34 C ATOM 332 OE1 GLU A 24 -3.232 -3.657 -20.520 1.00 63.20 O ATOM 333 OE2 GLU A 24 -4.599 -3.590 -18.801 1.00 33.41 O ATOM 0 H GLU A 24 -0.317 -5.591 -16.854 1.00 34.31 H new ATOM 0 HA GLU A 24 -2.676 -4.025 -17.275 1.00 52.14 H new ATOM 0 HB2 GLU A 24 -1.386 -5.519 -18.935 1.00 5.13 H new ATOM 0 HB3 GLU A 24 -2.146 -6.885 -18.144 1.00 5.13 H new ATOM 0 HG2 GLU A 24 -3.350 -6.185 -20.187 1.00 64.14 H new ATOM 0 HG3 GLU A 24 -4.358 -6.102 -18.756 1.00 64.14 H new ATOM 340 N MET A 25 -2.829 -6.685 -15.359 1.00 64.51 N ATOM 341 CA MET A 25 -3.665 -7.399 -14.401 1.00 3.35 C ATOM 342 C MET A 25 -3.931 -6.541 -13.168 1.00 20.05 C ATOM 343 O MET A 25 -5.075 -6.393 -12.738 1.00 43.35 O ATOM 344 CB MET A 25 -2.998 -8.712 -13.988 1.00 61.41 C ATOM 345 CG MET A 25 -2.639 -9.607 -15.163 1.00 40.15 C ATOM 346 SD MET A 25 -4.073 -10.048 -16.164 1.00 22.44 S ATOM 347 CE MET A 25 -3.464 -9.683 -17.808 1.00 61.40 C ATOM 0 H MET A 25 -1.863 -7.010 -15.400 1.00 64.51 H new ATOM 0 HA MET A 25 -4.618 -7.620 -14.882 1.00 3.35 H new ATOM 0 HB2 MET A 25 -2.093 -8.488 -13.423 1.00 61.41 H new ATOM 0 HB3 MET A 25 -3.666 -9.255 -13.319 1.00 61.41 H new ATOM 0 HG2 MET A 25 -1.905 -9.100 -15.790 1.00 40.15 H new ATOM 0 HG3 MET A 25 -2.167 -10.516 -14.791 1.00 40.15 H new ATOM 0 HE1 MET A 25 -3.981 -10.309 -18.535 1.00 61.40 H new ATOM 0 HE2 MET A 25 -3.646 -8.633 -18.039 1.00 61.40 H new ATOM 0 HE3 MET A 25 -2.394 -9.884 -17.852 1.00 61.40 H new ATOM 357 N ALA A 26 -2.868 -5.979 -12.602 1.00 44.13 N ATOM 358 CA ALA A 26 -2.987 -5.135 -11.420 1.00 14.01 C ATOM 359 C ALA A 26 -4.055 -4.064 -11.616 1.00 33.23 C ATOM 360 O ALA A 26 -4.793 -3.731 -10.688 1.00 74.51 O ATOM 361 CB ALA A 26 -1.648 -4.493 -11.092 1.00 25.13 C ATOM 0 H ALA A 26 -1.914 -6.093 -12.944 1.00 44.13 H new ATOM 0 HA ALA A 26 -3.290 -5.765 -10.584 1.00 14.01 H new ATOM 0 HB1 ALA A 26 -1.752 -3.866 -10.207 1.00 25.13 H new ATOM 0 HB2 ALA A 26 -0.909 -5.271 -10.900 1.00 25.13 H new ATOM 0 HB3 ALA A 26 -1.322 -3.882 -11.934 1.00 25.13 H new ATOM 367 N LYS A 27 -4.132 -3.527 -12.828 1.00 51.44 N ATOM 368 CA LYS A 27 -5.110 -2.493 -13.147 1.00 71.22 C ATOM 369 C LYS A 27 -6.532 -3.032 -13.021 1.00 4.33 C ATOM 370 O LYS A 27 -7.381 -2.420 -12.374 1.00 41.31 O ATOM 371 CB LYS A 27 -4.879 -1.963 -14.564 1.00 5.42 C ATOM 372 CG LYS A 27 -4.821 -0.447 -14.644 1.00 14.11 C ATOM 373 CD LYS A 27 -5.965 0.111 -15.474 1.00 13.11 C ATOM 374 CE LYS A 27 -5.747 1.579 -15.808 1.00 60.23 C ATOM 375 NZ LYS A 27 -5.794 2.438 -14.593 1.00 32.33 N ATOM 0 H LYS A 27 -3.528 -3.791 -13.607 1.00 51.44 H new ATOM 0 HA LYS A 27 -4.984 -1.677 -12.435 1.00 71.22 H new ATOM 0 HB2 LYS A 27 -3.946 -2.375 -14.949 1.00 5.42 H new ATOM 0 HB3 LYS A 27 -5.678 -2.322 -15.212 1.00 5.42 H new ATOM 0 HG2 LYS A 27 -4.861 -0.027 -13.639 1.00 14.11 H new ATOM 0 HG3 LYS A 27 -3.870 -0.141 -15.080 1.00 14.11 H new ATOM 0 HD2 LYS A 27 -6.061 -0.463 -16.396 1.00 13.11 H new ATOM 0 HD3 LYS A 27 -6.902 -0.004 -14.928 1.00 13.11 H new ATOM 0 HE2 LYS A 27 -4.782 1.700 -16.301 1.00 60.23 H new ATOM 0 HE3 LYS A 27 -6.509 1.908 -16.515 1.00 60.23 H new ATOM 0 HZ1 LYS A 27 -5.641 3.431 -14.863 1.00 32.33 H new ATOM 0 HZ2 LYS A 27 -6.724 2.343 -14.136 1.00 32.33 H new ATOM 0 HZ3 LYS A 27 -5.050 2.142 -13.929 1.00 32.33 H new ATOM 389 N GLU A 28 -6.782 -4.180 -13.641 1.00 61.51 N ATOM 390 CA GLU A 28 -8.101 -4.800 -13.596 1.00 60.42 C ATOM 391 C GLU A 28 -8.536 -5.049 -12.155 1.00 75.20 C ATOM 392 O GLU A 28 -9.713 -4.913 -11.818 1.00 0.12 O ATOM 393 CB GLU A 28 -8.096 -6.118 -14.374 1.00 33.21 C ATOM 394 CG GLU A 28 -9.486 -6.628 -14.716 1.00 52.23 C ATOM 395 CD GLU A 28 -10.178 -7.276 -13.533 1.00 11.53 C ATOM 396 OE1 GLU A 28 -9.488 -7.947 -12.737 1.00 42.23 O ATOM 397 OE2 GLU A 28 -11.409 -7.112 -13.402 1.00 10.32 O ATOM 0 H GLU A 28 -6.089 -4.700 -14.180 1.00 61.51 H new ATOM 0 HA GLU A 28 -8.812 -4.116 -14.059 1.00 60.42 H new ATOM 0 HB2 GLU A 28 -7.530 -5.984 -15.296 1.00 33.21 H new ATOM 0 HB3 GLU A 28 -7.575 -6.874 -13.787 1.00 33.21 H new ATOM 0 HG2 GLU A 28 -10.094 -5.799 -15.078 1.00 52.23 H new ATOM 0 HG3 GLU A 28 -9.414 -7.350 -15.530 1.00 52.23 H new ATOM 404 N HIS A 29 -7.579 -5.416 -11.309 1.00 12.54 N ATOM 405 CA HIS A 29 -7.863 -5.684 -9.903 1.00 42.32 C ATOM 406 C HIS A 29 -8.011 -4.382 -9.121 1.00 25.32 C ATOM 407 O HIS A 29 -8.693 -4.336 -8.098 1.00 41.22 O ATOM 408 CB HIS A 29 -6.752 -6.537 -9.291 1.00 30.33 C ATOM 409 CG HIS A 29 -6.786 -7.969 -9.729 1.00 71.10 C ATOM 410 ND1 HIS A 29 -7.621 -8.910 -9.163 1.00 42.33 N ATOM 411 CD2 HIS A 29 -6.083 -8.619 -10.686 1.00 31.12 C ATOM 412 CE1 HIS A 29 -7.428 -10.077 -9.752 1.00 15.41 C ATOM 413 NE2 HIS A 29 -6.501 -9.927 -10.680 1.00 24.31 N ATOM 0 H HIS A 29 -6.601 -5.535 -11.572 1.00 12.54 H new ATOM 0 HA HIS A 29 -8.804 -6.231 -9.845 1.00 42.32 H new ATOM 0 HB2 HIS A 29 -5.786 -6.107 -9.557 1.00 30.33 H new ATOM 0 HB3 HIS A 29 -6.830 -6.496 -8.205 1.00 30.33 H new ATOM 0 HD2 HIS A 29 -5.333 -8.189 -11.334 1.00 31.12 H new ATOM 0 HE1 HIS A 29 -7.941 -10.997 -9.515 1.00 15.41 H new ATOM 0 HE2 HIS A 29 -6.152 -10.663 -11.293 1.00 24.31 H new ATOM 421 N ASN A 30 -7.365 -3.328 -9.609 1.00 15.43 N ATOM 422 CA ASN A 30 -7.424 -2.026 -8.954 1.00 51.32 C ATOM 423 C ASN A 30 -6.759 -2.076 -7.582 1.00 60.21 C ATOM 424 O ASN A 30 -7.309 -1.584 -6.596 1.00 61.32 O ATOM 425 CB ASN A 30 -8.877 -1.568 -8.812 1.00 52.14 C ATOM 426 CG ASN A 30 -9.763 -2.104 -9.920 1.00 60.14 C ATOM 427 OD1 ASN A 30 -10.548 -3.029 -9.710 1.00 51.20 O ATOM 428 ND2 ASN A 30 -9.640 -1.524 -11.109 1.00 31.33 N ATOM 0 H ASN A 30 -6.795 -3.350 -10.455 1.00 15.43 H new ATOM 0 HA ASN A 30 -6.884 -1.311 -9.574 1.00 51.32 H new ATOM 0 HB2 ASN A 30 -9.266 -1.897 -7.848 1.00 52.14 H new ATOM 0 HB3 ASN A 30 -8.914 -0.479 -8.816 1.00 52.14 H new ATOM 0 HD21 ASN A 30 -10.209 -1.842 -11.893 1.00 31.33 H new ATOM 0 HD22 ASN A 30 -8.976 -0.760 -11.238 1.00 31.33 H new ATOM 435 N ILE A 31 -5.573 -2.673 -7.527 1.00 72.22 N ATOM 436 CA ILE A 31 -4.833 -2.786 -6.277 1.00 24.21 C ATOM 437 C ILE A 31 -3.676 -1.794 -6.232 1.00 4.13 C ATOM 438 O ILE A 31 -3.098 -1.449 -7.263 1.00 12.41 O ATOM 439 CB ILE A 31 -4.281 -4.210 -6.076 1.00 31.00 C ATOM 440 CG1 ILE A 31 -5.391 -5.244 -6.277 1.00 52.44 C ATOM 441 CG2 ILE A 31 -3.665 -4.349 -4.692 1.00 33.13 C ATOM 442 CD1 ILE A 31 -4.901 -6.674 -6.228 1.00 14.15 C ATOM 0 H ILE A 31 -5.104 -3.086 -8.334 1.00 72.22 H new ATOM 0 HA ILE A 31 -5.534 -2.560 -5.474 1.00 24.21 H new ATOM 0 HB ILE A 31 -3.503 -4.390 -6.818 1.00 31.00 H new ATOM 0 HG12 ILE A 31 -6.151 -5.103 -5.509 1.00 52.44 H new ATOM 0 HG13 ILE A 31 -5.872 -5.066 -7.239 1.00 52.44 H new ATOM 0 HG21 ILE A 31 -3.279 -5.361 -4.565 1.00 33.13 H new ATOM 0 HG22 ILE A 31 -2.850 -3.634 -4.583 1.00 33.13 H new ATOM 0 HG23 ILE A 31 -4.424 -4.152 -3.935 1.00 33.13 H new ATOM 0 HD11 ILE A 31 -5.741 -7.352 -6.378 1.00 14.15 H new ATOM 0 HD12 ILE A 31 -4.162 -6.833 -7.014 1.00 14.15 H new ATOM 0 HD13 ILE A 31 -4.446 -6.870 -5.257 1.00 14.15 H new ATOM 454 N LYS A 32 -3.340 -1.339 -5.029 1.00 60.21 N ATOM 455 CA LYS A 32 -2.249 -0.389 -4.847 1.00 15.41 C ATOM 456 C LYS A 32 -0.897 -1.080 -4.982 1.00 64.15 C ATOM 457 O LYS A 32 -0.172 -1.246 -4.001 1.00 71.42 O ATOM 458 CB LYS A 32 -2.355 0.284 -3.476 1.00 74.23 C ATOM 459 CG LYS A 32 -3.281 1.488 -3.459 1.00 73.25 C ATOM 460 CD LYS A 32 -4.711 1.087 -3.137 1.00 52.15 C ATOM 461 CE LYS A 32 -4.860 0.677 -1.680 1.00 74.14 C ATOM 462 NZ LYS A 32 -6.281 0.719 -1.235 1.00 3.51 N ATOM 0 H LYS A 32 -3.808 -1.613 -4.165 1.00 60.21 H new ATOM 0 HA LYS A 32 -2.328 0.370 -5.625 1.00 15.41 H new ATOM 0 HB2 LYS A 32 -2.709 -0.446 -2.749 1.00 74.23 H new ATOM 0 HB3 LYS A 32 -1.361 0.596 -3.156 1.00 74.23 H new ATOM 0 HG2 LYS A 32 -2.929 2.208 -2.721 1.00 73.25 H new ATOM 0 HG3 LYS A 32 -3.251 1.985 -4.429 1.00 73.25 H new ATOM 0 HD2 LYS A 32 -5.381 1.920 -3.352 1.00 52.15 H new ATOM 0 HD3 LYS A 32 -5.012 0.261 -3.781 1.00 52.15 H new ATOM 0 HE2 LYS A 32 -4.466 -0.330 -1.544 1.00 74.14 H new ATOM 0 HE3 LYS A 32 -4.263 1.340 -1.053 1.00 74.14 H new ATOM 0 HZ1 LYS A 32 -6.341 0.433 -0.237 1.00 3.51 H new ATOM 0 HZ2 LYS A 32 -6.649 1.686 -1.341 1.00 3.51 H new ATOM 0 HZ3 LYS A 32 -6.846 0.068 -1.816 1.00 3.51 H new ATOM 476 N VAL A 33 -0.561 -1.480 -6.205 1.00 73.00 N ATOM 477 CA VAL A 33 0.706 -2.151 -6.469 1.00 71.02 C ATOM 478 C VAL A 33 1.504 -1.417 -7.541 1.00 55.21 C ATOM 479 O VAL A 33 0.936 -0.879 -8.492 1.00 63.35 O ATOM 480 CB VAL A 33 0.487 -3.609 -6.916 1.00 53.42 C ATOM 481 CG1 VAL A 33 -0.199 -3.654 -8.273 1.00 44.24 C ATOM 482 CG2 VAL A 33 1.809 -4.359 -6.952 1.00 44.03 C ATOM 0 H VAL A 33 -1.149 -1.351 -7.028 1.00 73.00 H new ATOM 0 HA VAL A 33 1.267 -2.146 -5.535 1.00 71.02 H new ATOM 0 HB VAL A 33 -0.163 -4.100 -6.191 1.00 53.42 H new ATOM 0 HG11 VAL A 33 -0.345 -4.692 -8.572 1.00 44.24 H new ATOM 0 HG12 VAL A 33 -1.166 -3.155 -8.209 1.00 44.24 H new ATOM 0 HG13 VAL A 33 0.422 -3.147 -9.012 1.00 44.24 H new ATOM 0 HG21 VAL A 33 1.636 -5.387 -7.270 1.00 44.03 H new ATOM 0 HG22 VAL A 33 2.485 -3.871 -7.654 1.00 44.03 H new ATOM 0 HG23 VAL A 33 2.256 -4.357 -5.958 1.00 44.03 H new ATOM 492 N ASP A 34 2.822 -1.398 -7.381 1.00 21.43 N ATOM 493 CA ASP A 34 3.699 -0.731 -8.336 1.00 22.32 C ATOM 494 C ASP A 34 4.824 -1.661 -8.782 1.00 13.41 C ATOM 495 O ASP A 34 5.602 -2.147 -7.961 1.00 63.13 O ATOM 496 CB ASP A 34 4.286 0.540 -7.720 1.00 54.23 C ATOM 497 CG ASP A 34 3.250 1.635 -7.557 1.00 50.33 C ATOM 498 OD1 ASP A 34 2.769 2.155 -8.586 1.00 13.20 O ATOM 499 OD2 ASP A 34 2.920 1.972 -6.401 1.00 61.01 O ATOM 0 H ASP A 34 3.307 -1.837 -6.599 1.00 21.43 H new ATOM 0 HA ASP A 34 3.106 -0.462 -9.210 1.00 22.32 H new ATOM 0 HB2 ASP A 34 4.717 0.303 -6.747 1.00 54.23 H new ATOM 0 HB3 ASP A 34 5.099 0.903 -8.349 1.00 54.23 H new ATOM 504 N ILE A 35 4.901 -1.903 -10.086 1.00 25.20 N ATOM 505 CA ILE A 35 5.930 -2.774 -10.640 1.00 64.14 C ATOM 506 C ILE A 35 7.260 -2.040 -10.771 1.00 43.45 C ATOM 507 O ILE A 35 7.297 -0.851 -11.089 1.00 1.51 O ATOM 508 CB ILE A 35 5.521 -3.322 -12.021 1.00 10.55 C ATOM 509 CG1 ILE A 35 4.211 -4.105 -11.914 1.00 63.44 C ATOM 510 CG2 ILE A 35 6.625 -4.199 -12.591 1.00 61.11 C ATOM 511 CD1 ILE A 35 3.485 -4.250 -13.233 1.00 60.04 C ATOM 0 H ILE A 35 4.264 -1.509 -10.778 1.00 25.20 H new ATOM 0 HA ILE A 35 6.044 -3.607 -9.947 1.00 64.14 H new ATOM 0 HB ILE A 35 5.366 -2.482 -12.699 1.00 10.55 H new ATOM 0 HG12 ILE A 35 4.421 -5.097 -11.513 1.00 63.44 H new ATOM 0 HG13 ILE A 35 3.556 -3.605 -11.201 1.00 63.44 H new ATOM 0 HG21 ILE A 35 6.321 -4.578 -13.567 1.00 61.11 H new ATOM 0 HG22 ILE A 35 7.537 -3.612 -12.698 1.00 61.11 H new ATOM 0 HG23 ILE A 35 6.809 -5.036 -11.917 1.00 61.11 H new ATOM 0 HD11 ILE A 35 2.566 -4.816 -13.082 1.00 60.04 H new ATOM 0 HD12 ILE A 35 3.243 -3.262 -13.626 1.00 60.04 H new ATOM 0 HD13 ILE A 35 4.122 -4.777 -13.943 1.00 60.04 H new ATOM 523 N LYS A 36 8.352 -2.756 -10.527 1.00 2.13 N ATOM 524 CA LYS A 36 9.686 -2.175 -10.620 1.00 1.41 C ATOM 525 C LYS A 36 10.578 -3.003 -11.539 1.00 73.32 C ATOM 526 O LYS A 36 10.511 -4.232 -11.540 1.00 75.13 O ATOM 527 CB LYS A 36 10.320 -2.076 -9.231 1.00 0.35 C ATOM 528 CG LYS A 36 11.079 -0.781 -8.999 1.00 44.33 C ATOM 529 CD LYS A 36 11.339 -0.543 -7.521 1.00 42.02 C ATOM 530 CE LYS A 36 12.726 0.036 -7.285 1.00 54.41 C ATOM 531 NZ LYS A 36 12.858 1.407 -7.852 1.00 70.12 N ATOM 0 H LYS A 36 8.339 -3.741 -10.263 1.00 2.13 H new ATOM 0 HA LYS A 36 9.590 -1.174 -11.041 1.00 1.41 H new ATOM 0 HB2 LYS A 36 9.539 -2.169 -8.477 1.00 0.35 H new ATOM 0 HB3 LYS A 36 11.000 -2.916 -9.091 1.00 0.35 H new ATOM 0 HG2 LYS A 36 12.027 -0.813 -9.535 1.00 44.33 H new ATOM 0 HG3 LYS A 36 10.510 0.054 -9.408 1.00 44.33 H new ATOM 0 HD2 LYS A 36 10.587 0.138 -7.123 1.00 42.02 H new ATOM 0 HD3 LYS A 36 11.238 -1.482 -6.977 1.00 42.02 H new ATOM 0 HE2 LYS A 36 12.931 0.064 -6.215 1.00 54.41 H new ATOM 0 HE3 LYS A 36 13.474 -0.617 -7.735 1.00 54.41 H new ATOM 0 HZ1 LYS A 36 13.811 1.773 -7.656 1.00 70.12 H new ATOM 0 HZ2 LYS A 36 12.704 1.374 -8.880 1.00 70.12 H new ATOM 0 HZ3 LYS A 36 12.150 2.032 -7.416 1.00 70.12 H new ATOM 545 N GLN A 37 11.412 -2.322 -12.318 1.00 61.41 N ATOM 546 CA GLN A 37 12.317 -2.997 -13.241 1.00 22.21 C ATOM 547 C GLN A 37 13.769 -2.641 -12.938 1.00 52.40 C ATOM 548 O GLN A 37 14.143 -1.468 -12.941 1.00 44.43 O ATOM 549 CB GLN A 37 11.979 -2.624 -14.685 1.00 54.32 C ATOM 550 CG GLN A 37 10.536 -2.915 -15.067 1.00 1.54 C ATOM 551 CD GLN A 37 10.384 -4.218 -15.825 1.00 65.31 C ATOM 552 OE1 GLN A 37 10.423 -5.300 -15.238 1.00 4.24 O ATOM 553 NE2 GLN A 37 10.210 -4.123 -17.138 1.00 1.10 N ATOM 0 H GLN A 37 11.480 -1.304 -12.329 1.00 61.41 H new ATOM 0 HA GLN A 37 12.191 -4.072 -13.112 1.00 22.21 H new ATOM 0 HB2 GLN A 37 12.178 -1.563 -14.834 1.00 54.32 H new ATOM 0 HB3 GLN A 37 12.641 -3.170 -15.357 1.00 54.32 H new ATOM 0 HG2 GLN A 37 9.926 -2.951 -14.165 1.00 1.54 H new ATOM 0 HG3 GLN A 37 10.154 -2.097 -15.678 1.00 1.54 H new ATOM 0 HE21 GLN A 37 10.184 -3.206 -17.584 1.00 1.10 H new ATOM 0 HE22 GLN A 37 10.102 -4.967 -17.701 1.00 1.10 H new ATOM 562 N ILE A 38 14.581 -3.659 -12.676 1.00 72.34 N ATOM 563 CA ILE A 38 15.991 -3.453 -12.372 1.00 42.42 C ATOM 564 C ILE A 38 16.848 -4.573 -12.951 1.00 64.11 C ATOM 565 O ILE A 38 16.330 -5.569 -13.456 1.00 31.20 O ATOM 566 CB ILE A 38 16.233 -3.369 -10.854 1.00 2.35 C ATOM 567 CG1 ILE A 38 16.228 -4.769 -10.236 1.00 51.31 C ATOM 568 CG2 ILE A 38 15.179 -2.490 -10.197 1.00 32.31 C ATOM 569 CD1 ILE A 38 14.933 -5.519 -10.452 1.00 73.52 C ATOM 0 H ILE A 38 14.286 -4.635 -12.668 1.00 72.34 H new ATOM 0 HA ILE A 38 16.277 -2.506 -12.830 1.00 42.42 H new ATOM 0 HB ILE A 38 17.211 -2.920 -10.682 1.00 2.35 H new ATOM 0 HG12 ILE A 38 17.049 -5.348 -10.660 1.00 51.31 H new ATOM 0 HG13 ILE A 38 16.416 -4.686 -9.166 1.00 51.31 H new ATOM 0 HG21 ILE A 38 15.364 -2.441 -9.124 1.00 32.31 H new ATOM 0 HG22 ILE A 38 15.227 -1.487 -10.620 1.00 32.31 H new ATOM 0 HG23 ILE A 38 14.190 -2.912 -10.376 1.00 32.31 H new ATOM 0 HD11 ILE A 38 15.001 -6.503 -9.988 1.00 73.52 H new ATOM 0 HD12 ILE A 38 14.111 -4.962 -10.003 1.00 73.52 H new ATOM 0 HD13 ILE A 38 14.753 -5.634 -11.521 1.00 73.52 H new ATOM 581 N LYS A 39 18.164 -4.405 -12.873 1.00 40.31 N ATOM 582 CA LYS A 39 19.095 -5.402 -13.386 1.00 24.41 C ATOM 583 C LYS A 39 19.313 -6.517 -12.368 1.00 61.52 C ATOM 584 O LYS A 39 19.014 -6.357 -11.185 1.00 32.05 O ATOM 585 CB LYS A 39 20.434 -4.748 -13.736 1.00 31.31 C ATOM 586 CG LYS A 39 20.564 -4.377 -15.203 1.00 3.32 C ATOM 587 CD LYS A 39 19.970 -3.007 -15.486 1.00 61.21 C ATOM 588 CE LYS A 39 20.971 -1.897 -15.206 1.00 13.44 C ATOM 589 NZ LYS A 39 20.335 -0.551 -15.258 1.00 31.04 N ATOM 0 H LYS A 39 18.610 -3.586 -12.459 1.00 40.31 H new ATOM 0 HA LYS A 39 18.663 -5.836 -14.288 1.00 24.41 H new ATOM 0 HB2 LYS A 39 20.560 -3.851 -13.130 1.00 31.31 H new ATOM 0 HB3 LYS A 39 21.242 -5.429 -13.469 1.00 31.31 H new ATOM 0 HG2 LYS A 39 21.616 -4.385 -15.490 1.00 3.32 H new ATOM 0 HG3 LYS A 39 20.061 -5.126 -15.815 1.00 3.32 H new ATOM 0 HD2 LYS A 39 19.650 -2.956 -16.527 1.00 61.21 H new ATOM 0 HD3 LYS A 39 19.081 -2.861 -14.872 1.00 61.21 H new ATOM 0 HE2 LYS A 39 21.418 -2.050 -14.224 1.00 13.44 H new ATOM 0 HE3 LYS A 39 21.780 -1.945 -15.935 1.00 13.44 H new ATOM 0 HZ1 LYS A 39 21.050 0.179 -15.062 1.00 31.04 H new ATOM 0 HZ2 LYS A 39 19.931 -0.394 -16.203 1.00 31.04 H new ATOM 0 HZ3 LYS A 39 19.580 -0.496 -14.545 1.00 31.04 H new ATOM 603 N ILE A 40 19.837 -7.645 -12.836 1.00 73.41 N ATOM 604 CA ILE A 40 20.097 -8.785 -11.966 1.00 34.25 C ATOM 605 C ILE A 40 20.970 -8.385 -10.781 1.00 52.43 C ATOM 606 O ILE A 40 20.782 -8.869 -9.665 1.00 1.24 O ATOM 607 CB ILE A 40 20.783 -9.933 -12.730 1.00 52.30 C ATOM 608 CG1 ILE A 40 21.066 -11.105 -11.788 1.00 11.30 C ATOM 609 CG2 ILE A 40 22.070 -9.443 -13.377 1.00 11.13 C ATOM 610 CD1 ILE A 40 19.827 -11.649 -11.112 1.00 23.23 C ATOM 0 H ILE A 40 20.090 -7.794 -13.813 1.00 73.41 H new ATOM 0 HA ILE A 40 19.129 -9.130 -11.602 1.00 34.25 H new ATOM 0 HB ILE A 40 20.112 -10.278 -13.517 1.00 52.30 H new ATOM 0 HG12 ILE A 40 21.544 -11.906 -12.351 1.00 11.30 H new ATOM 0 HG13 ILE A 40 21.775 -10.784 -11.025 1.00 11.30 H new ATOM 0 HG21 ILE A 40 22.544 -10.265 -13.913 1.00 11.13 H new ATOM 0 HG22 ILE A 40 21.842 -8.638 -14.075 1.00 11.13 H new ATOM 0 HG23 ILE A 40 22.747 -9.075 -12.606 1.00 11.13 H new ATOM 0 HD11 ILE A 40 20.103 -12.477 -10.459 1.00 23.23 H new ATOM 0 HD12 ILE A 40 19.359 -10.861 -10.521 1.00 23.23 H new ATOM 0 HD13 ILE A 40 19.125 -12.001 -11.868 1.00 23.23 H new ATOM 622 N THR A 41 21.925 -7.495 -11.032 1.00 5.12 N ATOM 623 CA THR A 41 22.828 -7.028 -9.987 1.00 13.11 C ATOM 624 C THR A 41 22.321 -5.734 -9.361 1.00 10.40 C ATOM 625 O THR A 41 23.106 -4.920 -8.875 1.00 30.55 O ATOM 626 CB THR A 41 24.249 -6.798 -10.534 1.00 23.13 C ATOM 627 OG1 THR A 41 24.257 -5.676 -11.423 1.00 12.32 O ATOM 628 CG2 THR A 41 24.754 -8.033 -11.264 1.00 64.30 C ATOM 0 H THR A 41 22.093 -7.083 -11.950 1.00 5.12 H new ATOM 0 HA THR A 41 22.862 -7.808 -9.226 1.00 13.11 H new ATOM 0 HB THR A 41 24.910 -6.597 -9.691 1.00 23.13 H new ATOM 0 HG1 THR A 41 25.165 -5.536 -11.765 1.00 12.32 H new ATOM 0 HG21 THR A 41 25.759 -7.847 -11.642 1.00 64.30 H new ATOM 0 HG22 THR A 41 24.775 -8.879 -10.577 1.00 64.30 H new ATOM 0 HG23 THR A 41 24.090 -8.260 -12.098 1.00 64.30 H new ATOM 636 N GLU A 42 21.004 -5.550 -9.376 1.00 44.14 N ATOM 637 CA GLU A 42 20.394 -4.353 -8.810 1.00 21.14 C ATOM 638 C GLU A 42 19.434 -4.715 -7.680 1.00 54.23 C ATOM 639 O GLU A 42 19.112 -3.882 -6.833 1.00 11.30 O ATOM 640 CB GLU A 42 19.652 -3.570 -9.894 1.00 54.32 C ATOM 641 CG GLU A 42 19.371 -2.125 -9.517 1.00 51.21 C ATOM 642 CD GLU A 42 19.740 -1.152 -10.620 1.00 1.20 C ATOM 643 OE1 GLU A 42 19.010 -0.154 -10.799 1.00 21.21 O ATOM 644 OE2 GLU A 42 20.758 -1.388 -11.304 1.00 12.41 O ATOM 0 H GLU A 42 20.340 -6.214 -9.774 1.00 44.14 H new ATOM 0 HA GLU A 42 21.189 -3.729 -8.402 1.00 21.14 H new ATOM 0 HB2 GLU A 42 20.240 -3.589 -10.811 1.00 54.32 H new ATOM 0 HB3 GLU A 42 18.708 -4.070 -10.110 1.00 54.32 H new ATOM 0 HG2 GLU A 42 18.313 -2.015 -9.279 1.00 51.21 H new ATOM 0 HG3 GLU A 42 19.928 -1.874 -8.615 1.00 51.21 H new ATOM 651 N VAL A 43 18.978 -5.964 -7.676 1.00 3.31 N ATOM 652 CA VAL A 43 18.055 -6.437 -6.652 1.00 21.34 C ATOM 653 C VAL A 43 18.726 -6.479 -5.283 1.00 44.25 C ATOM 654 O VAL A 43 18.062 -6.393 -4.251 1.00 62.45 O ATOM 655 CB VAL A 43 17.514 -7.839 -6.989 1.00 20.45 C ATOM 656 CG1 VAL A 43 18.660 -8.818 -7.198 1.00 53.23 C ATOM 657 CG2 VAL A 43 16.580 -8.327 -5.892 1.00 34.23 C ATOM 0 H VAL A 43 19.233 -6.666 -8.371 1.00 3.31 H new ATOM 0 HA VAL A 43 17.225 -5.731 -6.625 1.00 21.34 H new ATOM 0 HB VAL A 43 16.947 -7.777 -7.918 1.00 20.45 H new ATOM 0 HG11 VAL A 43 18.258 -9.803 -7.435 1.00 53.23 H new ATOM 0 HG12 VAL A 43 19.287 -8.474 -8.021 1.00 53.23 H new ATOM 0 HG13 VAL A 43 19.257 -8.879 -6.288 1.00 53.23 H new ATOM 0 HG21 VAL A 43 16.207 -9.319 -6.146 1.00 34.23 H new ATOM 0 HG22 VAL A 43 17.122 -8.374 -4.947 1.00 34.23 H new ATOM 0 HG23 VAL A 43 15.741 -7.638 -5.795 1.00 34.23 H new ATOM 667 N GLY A 44 20.050 -6.610 -5.283 1.00 74.22 N ATOM 668 CA GLY A 44 20.790 -6.660 -4.036 1.00 32.41 C ATOM 669 C GLY A 44 20.365 -5.576 -3.065 1.00 72.35 C ATOM 670 O GLY A 44 19.786 -5.847 -2.013 1.00 73.43 O ATOM 0 H GLY A 44 20.622 -6.682 -6.124 1.00 74.22 H new ATOM 0 HA2 GLY A 44 20.647 -7.636 -3.571 1.00 32.41 H new ATOM 0 HA3 GLY A 44 21.855 -6.559 -4.245 1.00 32.41 H new ATOM 674 N PRO A 45 20.656 -4.315 -3.417 1.00 12.03 N ATOM 675 CA PRO A 45 20.310 -3.161 -2.582 1.00 12.13 C ATOM 676 C PRO A 45 18.807 -2.906 -2.539 1.00 31.00 C ATOM 677 O PRO A 45 18.301 -2.275 -1.611 1.00 34.44 O ATOM 678 CB PRO A 45 21.030 -1.998 -3.268 1.00 40.33 C ATOM 679 CG PRO A 45 21.171 -2.425 -4.688 1.00 43.15 C ATOM 680 CD PRO A 45 21.344 -3.918 -4.656 1.00 65.34 C ATOM 0 HA PRO A 45 20.603 -3.308 -1.542 1.00 12.13 H new ATOM 0 HB2 PRO A 45 20.457 -1.075 -3.187 1.00 40.33 H new ATOM 0 HB3 PRO A 45 22.002 -1.810 -2.813 1.00 40.33 H new ATOM 0 HG2 PRO A 45 20.291 -2.146 -5.268 1.00 43.15 H new ATOM 0 HG3 PRO A 45 22.029 -1.943 -5.157 1.00 43.15 H new ATOM 0 HD2 PRO A 45 20.901 -4.393 -5.531 1.00 65.34 H new ATOM 0 HD3 PRO A 45 22.397 -4.200 -4.639 1.00 65.34 H new ATOM 688 N TYR A 46 18.099 -3.400 -3.548 1.00 70.24 N ATOM 689 CA TYR A 46 16.654 -3.224 -3.627 1.00 33.13 C ATOM 690 C TYR A 46 15.926 -4.399 -2.981 1.00 71.54 C ATOM 691 O TYR A 46 14.885 -4.841 -3.468 1.00 3.05 O ATOM 692 CB TYR A 46 16.215 -3.076 -5.085 1.00 21.54 C ATOM 693 CG TYR A 46 16.519 -1.718 -5.674 1.00 3.31 C ATOM 694 CD1 TYR A 46 16.190 -0.553 -4.991 1.00 74.21 C ATOM 695 CD2 TYR A 46 17.135 -1.598 -6.913 1.00 64.14 C ATOM 696 CE1 TYR A 46 16.465 0.691 -5.526 1.00 30.42 C ATOM 697 CE2 TYR A 46 17.416 -0.359 -7.455 1.00 11.40 C ATOM 698 CZ TYR A 46 17.079 0.783 -6.758 1.00 34.44 C ATOM 699 OH TYR A 46 17.355 2.019 -7.294 1.00 40.24 O ATOM 0 H TYR A 46 18.503 -3.926 -4.323 1.00 70.24 H new ATOM 0 HA TYR A 46 16.394 -2.316 -3.083 1.00 33.13 H new ATOM 0 HB2 TYR A 46 16.709 -3.841 -5.684 1.00 21.54 H new ATOM 0 HB3 TYR A 46 15.143 -3.261 -5.153 1.00 21.54 H new ATOM 0 HD1 TYR A 46 15.711 -0.621 -4.025 1.00 74.21 H new ATOM 0 HD2 TYR A 46 17.399 -2.489 -7.463 1.00 64.14 H new ATOM 0 HE1 TYR A 46 16.201 1.586 -4.983 1.00 30.42 H new ATOM 0 HE2 TYR A 46 17.897 -0.285 -8.419 1.00 11.40 H new ATOM 0 HH TYR A 46 17.789 1.908 -8.166 1.00 40.24 H new ATOM 709 N GLU A 47 16.482 -4.900 -1.883 1.00 20.43 N ATOM 710 CA GLU A 47 15.886 -6.025 -1.170 1.00 44.43 C ATOM 711 C GLU A 47 15.038 -5.538 0.001 1.00 30.42 C ATOM 712 O GLU A 47 14.003 -6.125 0.317 1.00 12.04 O ATOM 713 CB GLU A 47 16.976 -6.973 -0.666 1.00 43.30 C ATOM 714 CG GLU A 47 17.363 -8.045 -1.671 1.00 3.30 C ATOM 715 CD GLU A 47 17.895 -9.301 -1.009 1.00 4.45 C ATOM 716 OE1 GLU A 47 18.151 -10.288 -1.729 1.00 44.14 O ATOM 717 OE2 GLU A 47 18.056 -9.297 0.230 1.00 53.42 O ATOM 0 H GLU A 47 17.343 -4.546 -1.467 1.00 20.43 H new ATOM 0 HA GLU A 47 15.241 -6.562 -1.865 1.00 44.43 H new ATOM 0 HB2 GLU A 47 17.861 -6.391 -0.409 1.00 43.30 H new ATOM 0 HB3 GLU A 47 16.633 -7.453 0.251 1.00 43.30 H new ATOM 0 HG2 GLU A 47 16.494 -8.299 -2.278 1.00 3.30 H new ATOM 0 HG3 GLU A 47 18.119 -7.647 -2.348 1.00 3.30 H new ATOM 724 N ASP A 48 15.485 -4.463 0.641 1.00 34.53 N ATOM 725 CA ASP A 48 14.767 -3.897 1.778 1.00 63.14 C ATOM 726 C ASP A 48 13.547 -3.109 1.312 1.00 72.31 C ATOM 727 O ASP A 48 12.408 -3.471 1.612 1.00 65.53 O ATOM 728 CB ASP A 48 15.693 -2.993 2.593 1.00 52.31 C ATOM 729 CG ASP A 48 15.136 -2.684 3.969 1.00 71.02 C ATOM 730 OD1 ASP A 48 14.086 -3.258 4.327 1.00 60.21 O ATOM 731 OD2 ASP A 48 15.750 -1.869 4.688 1.00 44.11 O ATOM 0 H ASP A 48 16.340 -3.966 0.392 1.00 34.53 H new ATOM 0 HA ASP A 48 14.427 -4.719 2.408 1.00 63.14 H new ATOM 0 HB2 ASP A 48 16.666 -3.474 2.697 1.00 52.31 H new ATOM 0 HB3 ASP A 48 15.855 -2.061 2.052 1.00 52.31 H new ATOM 736 N THR A 49 13.791 -2.028 0.577 1.00 22.44 N ATOM 737 CA THR A 49 12.713 -1.188 0.072 1.00 1.12 C ATOM 738 C THR A 49 11.666 -2.018 -0.662 1.00 24.33 C ATOM 739 O THR A 49 10.465 -1.818 -0.484 1.00 23.02 O ATOM 740 CB THR A 49 13.247 -0.100 -0.878 1.00 44.13 C ATOM 741 OG1 THR A 49 12.155 0.609 -1.474 1.00 45.50 O ATOM 742 CG2 THR A 49 14.116 -0.711 -1.967 1.00 71.52 C ATOM 0 H THR A 49 14.726 -1.714 0.318 1.00 22.44 H new ATOM 0 HA THR A 49 12.253 -0.711 0.937 1.00 1.12 H new ATOM 0 HB THR A 49 13.855 0.593 -0.296 1.00 44.13 H new ATOM 0 HG1 THR A 49 11.955 0.224 -2.353 1.00 45.50 H new ATOM 0 HG21 THR A 49 14.482 0.077 -2.626 1.00 71.52 H new ATOM 0 HG22 THR A 49 14.962 -1.225 -1.511 1.00 71.52 H new ATOM 0 HG23 THR A 49 13.527 -1.423 -2.545 1.00 71.52 H new ATOM 750 N ALA A 50 12.130 -2.952 -1.487 1.00 10.55 N ATOM 751 CA ALA A 50 11.233 -3.814 -2.245 1.00 60.33 C ATOM 752 C ALA A 50 10.490 -4.778 -1.326 1.00 12.40 C ATOM 753 O ALA A 50 10.839 -4.927 -0.155 1.00 64.51 O ATOM 754 CB ALA A 50 12.010 -4.584 -3.302 1.00 65.54 C ATOM 0 H ALA A 50 13.122 -3.130 -1.647 1.00 10.55 H new ATOM 0 HA ALA A 50 10.495 -3.183 -2.739 1.00 60.33 H new ATOM 0 HB1 ALA A 50 11.327 -5.224 -3.861 1.00 65.54 H new ATOM 0 HB2 ALA A 50 12.490 -3.882 -3.984 1.00 65.54 H new ATOM 0 HB3 ALA A 50 12.770 -5.198 -2.819 1.00 65.54 H new ATOM 760 N ASP A 51 9.463 -5.427 -1.863 1.00 64.43 N ATOM 761 CA ASP A 51 8.671 -6.377 -1.091 1.00 14.11 C ATOM 762 C ASP A 51 8.716 -7.764 -1.724 1.00 20.23 C ATOM 763 O ASP A 51 9.014 -8.754 -1.054 1.00 75.42 O ATOM 764 CB ASP A 51 7.222 -5.898 -0.986 1.00 11.13 C ATOM 765 CG ASP A 51 6.518 -6.448 0.239 1.00 13.20 C ATOM 766 OD1 ASP A 51 5.730 -5.701 0.856 1.00 13.23 O ATOM 767 OD2 ASP A 51 6.754 -7.626 0.580 1.00 51.42 O ATOM 0 H ASP A 51 9.159 -5.313 -2.830 1.00 64.43 H new ATOM 0 HA ASP A 51 9.099 -6.440 -0.090 1.00 14.11 H new ATOM 0 HB2 ASP A 51 7.204 -4.809 -0.953 1.00 11.13 H new ATOM 0 HB3 ASP A 51 6.677 -6.199 -1.881 1.00 11.13 H new ATOM 772 N LEU A 52 8.418 -7.829 -3.017 1.00 3.13 N ATOM 773 CA LEU A 52 8.424 -9.095 -3.741 1.00 31.43 C ATOM 774 C LEU A 52 9.407 -9.052 -4.906 1.00 60.02 C ATOM 775 O LEU A 52 9.683 -7.987 -5.460 1.00 62.11 O ATOM 776 CB LEU A 52 7.020 -9.418 -4.255 1.00 12.12 C ATOM 777 CG LEU A 52 6.071 -10.073 -3.250 1.00 62.13 C ATOM 778 CD1 LEU A 52 6.616 -11.421 -2.803 1.00 14.21 C ATOM 779 CD2 LEU A 52 5.850 -9.161 -2.053 1.00 11.05 C ATOM 0 H LEU A 52 8.169 -7.020 -3.586 1.00 3.13 H new ATOM 0 HA LEU A 52 8.741 -9.878 -3.052 1.00 31.43 H new ATOM 0 HB2 LEU A 52 6.562 -8.494 -4.607 1.00 12.12 H new ATOM 0 HB3 LEU A 52 7.114 -10.077 -5.118 1.00 12.12 H new ATOM 0 HG LEU A 52 5.110 -10.236 -3.739 1.00 62.13 H new ATOM 0 HD11 LEU A 52 5.928 -11.873 -2.088 1.00 14.21 H new ATOM 0 HD12 LEU A 52 6.722 -12.076 -3.668 1.00 14.21 H new ATOM 0 HD13 LEU A 52 7.589 -11.282 -2.332 1.00 14.21 H new ATOM 0 HD21 LEU A 52 5.172 -9.643 -1.348 1.00 11.05 H new ATOM 0 HD22 LEU A 52 6.804 -8.966 -1.563 1.00 11.05 H new ATOM 0 HD23 LEU A 52 5.415 -8.219 -2.388 1.00 11.05 H new ATOM 791 N LEU A 53 9.931 -10.216 -5.275 1.00 52.30 N ATOM 792 CA LEU A 53 10.882 -10.312 -6.377 1.00 10.30 C ATOM 793 C LEU A 53 10.576 -11.520 -7.257 1.00 2.25 C ATOM 794 O LEU A 53 10.165 -12.571 -6.765 1.00 10.12 O ATOM 795 CB LEU A 53 12.310 -10.408 -5.837 1.00 50.12 C ATOM 796 CG LEU A 53 13.398 -10.708 -6.868 1.00 65.12 C ATOM 797 CD1 LEU A 53 13.643 -9.497 -7.754 1.00 43.42 C ATOM 798 CD2 LEU A 53 14.685 -11.134 -6.177 1.00 23.14 C ATOM 0 H LEU A 53 9.713 -11.106 -4.827 1.00 52.30 H new ATOM 0 HA LEU A 53 10.790 -9.411 -6.984 1.00 10.30 H new ATOM 0 HB2 LEU A 53 12.555 -9.467 -5.343 1.00 50.12 H new ATOM 0 HB3 LEU A 53 12.337 -11.185 -5.073 1.00 50.12 H new ATOM 0 HG LEU A 53 13.058 -11.530 -7.498 1.00 65.12 H new ATOM 0 HD11 LEU A 53 14.421 -9.730 -8.481 1.00 43.42 H new ATOM 0 HD12 LEU A 53 12.723 -9.237 -8.277 1.00 43.42 H new ATOM 0 HD13 LEU A 53 13.961 -8.655 -7.139 1.00 43.42 H new ATOM 0 HD21 LEU A 53 15.448 -11.343 -6.926 1.00 23.14 H new ATOM 0 HD22 LEU A 53 15.029 -10.333 -5.523 1.00 23.14 H new ATOM 0 HD23 LEU A 53 14.501 -12.031 -5.586 1.00 23.14 H new ATOM 810 N VAL A 54 10.782 -11.363 -8.560 1.00 72.35 N ATOM 811 CA VAL A 54 10.531 -12.442 -9.509 1.00 24.02 C ATOM 812 C VAL A 54 11.650 -12.538 -10.540 1.00 41.21 C ATOM 813 O VAL A 54 11.996 -11.552 -11.192 1.00 11.43 O ATOM 814 CB VAL A 54 9.190 -12.247 -10.240 1.00 13.24 C ATOM 815 CG1 VAL A 54 8.901 -13.430 -11.151 1.00 40.44 C ATOM 816 CG2 VAL A 54 8.062 -12.047 -9.238 1.00 62.32 C ATOM 0 H VAL A 54 11.122 -10.499 -8.983 1.00 72.35 H new ATOM 0 HA VAL A 54 10.491 -13.367 -8.933 1.00 24.02 H new ATOM 0 HB VAL A 54 9.260 -11.352 -10.858 1.00 13.24 H new ATOM 0 HG11 VAL A 54 7.949 -13.274 -11.659 1.00 40.44 H new ATOM 0 HG12 VAL A 54 9.696 -13.522 -11.891 1.00 40.44 H new ATOM 0 HG13 VAL A 54 8.850 -14.343 -10.557 1.00 40.44 H new ATOM 0 HG21 VAL A 54 7.121 -11.911 -9.772 1.00 62.32 H new ATOM 0 HG22 VAL A 54 7.989 -12.922 -8.592 1.00 62.32 H new ATOM 0 HG23 VAL A 54 8.266 -11.165 -8.631 1.00 62.32 H new ATOM 826 N THR A 55 12.214 -13.733 -10.685 1.00 32.24 N ATOM 827 CA THR A 55 13.294 -13.959 -11.636 1.00 43.33 C ATOM 828 C THR A 55 13.192 -15.343 -12.266 1.00 25.32 C ATOM 829 O THR A 55 12.665 -16.276 -11.659 1.00 13.11 O ATOM 830 CB THR A 55 14.673 -13.812 -10.966 1.00 22.33 C ATOM 831 OG1 THR A 55 15.708 -13.878 -11.953 1.00 52.25 O ATOM 832 CG2 THR A 55 14.888 -14.902 -9.926 1.00 52.11 C ATOM 0 H THR A 55 11.940 -14.560 -10.155 1.00 32.24 H new ATOM 0 HA THR A 55 13.194 -13.201 -12.413 1.00 43.33 H new ATOM 0 HB THR A 55 14.708 -12.843 -10.468 1.00 22.33 H new ATOM 0 HG1 THR A 55 15.578 -13.164 -12.612 1.00 52.25 H new ATOM 0 HG21 THR A 55 15.868 -14.778 -9.466 1.00 52.11 H new ATOM 0 HG22 THR A 55 14.116 -14.831 -9.160 1.00 52.11 H new ATOM 0 HG23 THR A 55 14.834 -15.879 -10.406 1.00 52.11 H new ATOM 840 N THR A 56 13.702 -15.472 -13.487 1.00 73.01 N ATOM 841 CA THR A 56 13.668 -16.743 -14.199 1.00 74.13 C ATOM 842 C THR A 56 14.781 -17.669 -13.724 1.00 62.54 C ATOM 843 O THR A 56 14.572 -18.870 -13.554 1.00 63.23 O ATOM 844 CB THR A 56 13.799 -16.539 -15.720 1.00 41.43 C ATOM 845 OG1 THR A 56 15.126 -16.107 -16.044 1.00 14.13 O ATOM 846 CG2 THR A 56 12.791 -15.513 -16.218 1.00 23.34 C ATOM 0 H THR A 56 14.144 -14.711 -14.003 1.00 73.01 H new ATOM 0 HA THR A 56 12.702 -17.200 -13.983 1.00 74.13 H new ATOM 0 HB THR A 56 13.597 -17.491 -16.210 1.00 41.43 H new ATOM 0 HG1 THR A 56 15.202 -15.981 -17.013 1.00 14.13 H new ATOM 0 HG21 THR A 56 12.903 -15.386 -17.295 1.00 23.34 H new ATOM 0 HG22 THR A 56 11.781 -15.858 -15.996 1.00 23.34 H new ATOM 0 HG23 THR A 56 12.966 -14.559 -15.720 1.00 23.34 H new ATOM 854 N ALA A 57 15.965 -17.104 -13.511 1.00 53.44 N ATOM 855 CA ALA A 57 17.111 -17.879 -13.053 1.00 72.02 C ATOM 856 C ALA A 57 18.076 -17.011 -12.252 1.00 72.43 C ATOM 857 O ALA A 57 17.783 -15.854 -11.955 1.00 45.42 O ATOM 858 CB ALA A 57 17.826 -18.513 -14.237 1.00 22.21 C ATOM 0 H ALA A 57 16.155 -16.111 -13.649 1.00 53.44 H new ATOM 0 HA ALA A 57 16.746 -18.670 -12.398 1.00 72.02 H new ATOM 0 HB1 ALA A 57 18.680 -19.089 -13.880 1.00 22.21 H new ATOM 0 HB2 ALA A 57 17.139 -19.173 -14.766 1.00 22.21 H new ATOM 0 HB3 ALA A 57 18.172 -17.732 -14.914 1.00 22.21 H new ATOM 954 N TYR A 63 18.511 -13.950 -0.185 1.00 72.14 N ATOM 955 CA TYR A 63 17.249 -13.239 -0.353 1.00 41.12 C ATOM 956 C TYR A 63 16.463 -13.207 0.954 1.00 25.33 C ATOM 957 O TYR A 63 16.453 -14.179 1.710 1.00 31.12 O ATOM 958 CB TYR A 63 16.410 -13.898 -1.449 1.00 41.55 C ATOM 959 CG TYR A 63 17.092 -13.927 -2.799 1.00 0.23 C ATOM 960 CD1 TYR A 63 17.773 -15.059 -3.230 1.00 51.42 C ATOM 961 CD2 TYR A 63 17.057 -12.823 -3.641 1.00 55.23 C ATOM 962 CE1 TYR A 63 18.398 -15.090 -4.462 1.00 2.13 C ATOM 963 CE2 TYR A 63 17.678 -12.846 -4.875 1.00 55.41 C ATOM 964 CZ TYR A 63 18.347 -13.981 -5.281 1.00 22.23 C ATOM 965 OH TYR A 63 18.968 -14.007 -6.508 1.00 63.43 O ATOM 0 HA TYR A 63 17.476 -12.214 -0.645 1.00 41.12 H new ATOM 0 HB2 TYR A 63 16.173 -14.919 -1.149 1.00 41.55 H new ATOM 0 HB3 TYR A 63 15.464 -13.365 -1.541 1.00 41.55 H new ATOM 0 HD1 TYR A 63 17.814 -15.929 -2.591 1.00 51.42 H new ATOM 0 HD2 TYR A 63 16.535 -11.931 -3.326 1.00 55.23 H new ATOM 0 HE1 TYR A 63 18.924 -15.978 -4.782 1.00 2.13 H new ATOM 0 HE2 TYR A 63 17.640 -11.979 -5.518 1.00 55.41 H new ATOM 0 HH TYR A 63 18.836 -13.147 -6.960 1.00 63.43 H new ATOM 975 N LYS A 64 15.805 -12.083 1.214 1.00 4.33 N ATOM 976 CA LYS A 64 15.014 -11.922 2.428 1.00 3.15 C ATOM 977 C LYS A 64 13.526 -11.853 2.103 1.00 73.31 C ATOM 978 O LYS A 64 12.777 -11.104 2.730 1.00 33.13 O ATOM 979 CB LYS A 64 15.442 -10.657 3.177 1.00 63.41 C ATOM 980 CG LYS A 64 16.812 -10.768 3.823 1.00 4.51 C ATOM 981 CD LYS A 64 16.965 -9.791 4.977 1.00 12.21 C ATOM 982 CE LYS A 64 16.158 -10.230 6.190 1.00 64.45 C ATOM 983 NZ LYS A 64 16.603 -11.556 6.700 1.00 24.55 N ATOM 0 H LYS A 64 15.804 -11.269 0.599 1.00 4.33 H new ATOM 0 HA LYS A 64 15.190 -12.790 3.063 1.00 3.15 H new ATOM 0 HB2 LYS A 64 15.444 -9.817 2.483 1.00 63.41 H new ATOM 0 HB3 LYS A 64 14.703 -10.433 3.947 1.00 63.41 H new ATOM 0 HG2 LYS A 64 16.964 -11.785 4.184 1.00 4.51 H new ATOM 0 HG3 LYS A 64 17.584 -10.576 3.077 1.00 4.51 H new ATOM 0 HD2 LYS A 64 18.017 -9.709 5.249 1.00 12.21 H new ATOM 0 HD3 LYS A 64 16.640 -8.800 4.661 1.00 12.21 H new ATOM 0 HE2 LYS A 64 16.255 -9.485 6.980 1.00 64.45 H new ATOM 0 HE3 LYS A 64 15.102 -10.278 5.926 1.00 64.45 H new ATOM 0 HZ1 LYS A 64 16.248 -11.693 7.668 1.00 24.55 H new ATOM 0 HZ2 LYS A 64 16.230 -12.307 6.085 1.00 24.55 H new ATOM 0 HZ3 LYS A 64 17.642 -11.595 6.704 1.00 24.55 H new ATOM 997 N PHE A 65 13.103 -12.641 1.119 1.00 11.43 N ATOM 998 CA PHE A 65 11.703 -12.669 0.711 1.00 23.30 C ATOM 999 C PHE A 65 11.407 -13.908 -0.129 1.00 21.30 C ATOM 1000 O PHE A 65 12.299 -14.515 -0.722 1.00 22.21 O ATOM 1001 CB PHE A 65 11.355 -11.407 -0.081 1.00 31.32 C ATOM 1002 CG PHE A 65 12.432 -10.984 -1.038 1.00 70.14 C ATOM 1003 CD1 PHE A 65 13.066 -9.761 -0.892 1.00 52.22 C ATOM 1004 CD2 PHE A 65 12.810 -11.809 -2.085 1.00 61.51 C ATOM 1005 CE1 PHE A 65 14.058 -9.368 -1.771 1.00 74.44 C ATOM 1006 CE2 PHE A 65 13.801 -11.423 -2.967 1.00 43.31 C ATOM 1007 CZ PHE A 65 14.425 -10.200 -2.811 1.00 20.32 C ATOM 0 H PHE A 65 13.709 -13.268 0.590 1.00 11.43 H new ATOM 0 HA PHE A 65 11.089 -12.706 1.611 1.00 23.30 H new ATOM 0 HB2 PHE A 65 10.433 -11.579 -0.637 1.00 31.32 H new ATOM 0 HB3 PHE A 65 11.159 -10.592 0.616 1.00 31.32 H new ATOM 0 HD1 PHE A 65 12.782 -9.106 -0.081 1.00 52.22 H new ATOM 0 HD2 PHE A 65 12.324 -12.765 -2.213 1.00 61.51 H new ATOM 0 HE1 PHE A 65 14.545 -8.412 -1.645 1.00 74.44 H new ATOM 0 HE2 PHE A 65 14.088 -12.077 -3.778 1.00 43.31 H new ATOM 0 HZ PHE A 65 15.198 -9.895 -3.501 1.00 20.32 H new ATOM 1017 N PRO A 66 10.124 -14.294 -0.181 1.00 75.12 N ATOM 1018 CA PRO A 66 9.679 -15.464 -0.945 1.00 51.40 C ATOM 1019 C PRO A 66 9.776 -15.244 -2.451 1.00 1.32 C ATOM 1020 O PRO A 66 8.822 -14.795 -3.086 1.00 14.13 O ATOM 1021 CB PRO A 66 8.217 -15.629 -0.522 1.00 1.30 C ATOM 1022 CG PRO A 66 7.790 -14.266 -0.097 1.00 35.40 C ATOM 1023 CD PRO A 66 9.007 -13.618 0.501 1.00 43.11 C ATOM 0 HA PRO A 66 10.296 -16.340 -0.745 1.00 51.40 H new ATOM 0 HB2 PRO A 66 7.605 -15.997 -1.346 1.00 1.30 H new ATOM 0 HB3 PRO A 66 8.119 -16.347 0.293 1.00 1.30 H new ATOM 0 HG2 PRO A 66 7.419 -13.691 -0.946 1.00 35.40 H new ATOM 0 HG3 PRO A 66 6.980 -14.320 0.630 1.00 35.40 H new ATOM 0 HD2 PRO A 66 9.019 -12.543 0.322 1.00 43.11 H new ATOM 0 HD3 PRO A 66 9.049 -13.762 1.581 1.00 43.11 H new ATOM 1031 N VAL A 67 10.935 -15.563 -3.017 1.00 64.03 N ATOM 1032 CA VAL A 67 11.157 -15.402 -4.449 1.00 53.24 C ATOM 1033 C VAL A 67 10.236 -16.313 -5.254 1.00 0.33 C ATOM 1034 O VAL A 67 9.945 -17.437 -4.843 1.00 51.51 O ATOM 1035 CB VAL A 67 12.619 -15.703 -4.829 1.00 34.40 C ATOM 1036 CG1 VAL A 67 12.817 -15.577 -6.332 1.00 22.33 C ATOM 1037 CG2 VAL A 67 13.565 -14.779 -4.078 1.00 41.34 C ATOM 0 H VAL A 67 11.735 -15.935 -2.506 1.00 64.03 H new ATOM 0 HA VAL A 67 10.935 -14.362 -4.688 1.00 53.24 H new ATOM 0 HB VAL A 67 12.847 -16.730 -4.542 1.00 34.40 H new ATOM 0 HG11 VAL A 67 13.856 -15.793 -6.582 1.00 22.33 H new ATOM 0 HG12 VAL A 67 12.166 -16.284 -6.845 1.00 22.33 H new ATOM 0 HG13 VAL A 67 12.572 -14.563 -6.648 1.00 22.33 H new ATOM 0 HG21 VAL A 67 14.594 -15.005 -4.358 1.00 41.34 H new ATOM 0 HG22 VAL A 67 13.339 -13.743 -4.332 1.00 41.34 H new ATOM 0 HG23 VAL A 67 13.441 -14.925 -3.005 1.00 41.34 H new ATOM 1047 N ILE A 68 9.781 -15.821 -6.401 1.00 43.22 N ATOM 1048 CA ILE A 68 8.895 -16.591 -7.264 1.00 73.51 C ATOM 1049 C ILE A 68 9.491 -16.757 -8.658 1.00 24.34 C ATOM 1050 O ILE A 68 9.654 -15.785 -9.394 1.00 24.24 O ATOM 1051 CB ILE A 68 7.511 -15.927 -7.386 1.00 74.13 C ATOM 1052 CG1 ILE A 68 6.911 -15.688 -5.999 1.00 4.50 C ATOM 1053 CG2 ILE A 68 6.582 -16.789 -8.229 1.00 10.13 C ATOM 1054 CD1 ILE A 68 6.638 -16.961 -5.231 1.00 32.53 C ATOM 0 H ILE A 68 10.012 -14.892 -6.754 1.00 43.22 H new ATOM 0 HA ILE A 68 8.780 -17.571 -6.802 1.00 73.51 H new ATOM 0 HB ILE A 68 7.630 -14.963 -7.881 1.00 74.13 H new ATOM 0 HG12 ILE A 68 7.592 -15.063 -5.421 1.00 4.50 H new ATOM 0 HG13 ILE A 68 5.980 -15.131 -6.106 1.00 4.50 H new ATOM 0 HG21 ILE A 68 5.608 -16.306 -8.306 1.00 10.13 H new ATOM 0 HG22 ILE A 68 7.005 -16.913 -9.226 1.00 10.13 H new ATOM 0 HG23 ILE A 68 6.467 -17.766 -7.760 1.00 10.13 H new ATOM 0 HD11 ILE A 68 6.214 -16.715 -4.258 1.00 32.53 H new ATOM 0 HD12 ILE A 68 5.933 -17.578 -5.788 1.00 32.53 H new ATOM 0 HD13 ILE A 68 7.570 -17.509 -5.092 1.00 32.53 H new ATOM 1066 N ASN A 69 9.814 -17.997 -9.014 1.00 13.44 N ATOM 1067 CA ASN A 69 10.391 -18.291 -10.320 1.00 43.31 C ATOM 1068 C ASN A 69 9.540 -17.696 -11.438 1.00 32.23 C ATOM 1069 O ASN A 69 8.311 -17.701 -11.365 1.00 43.32 O ATOM 1070 CB ASN A 69 10.524 -19.803 -10.514 1.00 14.33 C ATOM 1071 CG ASN A 69 11.694 -20.384 -9.744 1.00 51.10 C ATOM 1072 OD1 ASN A 69 12.691 -19.704 -9.502 1.00 42.00 O ATOM 1073 ND2 ASN A 69 11.577 -21.648 -9.356 1.00 32.44 N ATOM 0 H ASN A 69 9.686 -18.813 -8.416 1.00 13.44 H new ATOM 0 HA ASN A 69 11.381 -17.838 -10.362 1.00 43.31 H new ATOM 0 HB2 ASN A 69 9.603 -20.290 -10.193 1.00 14.33 H new ATOM 0 HB3 ASN A 69 10.647 -20.021 -11.575 1.00 14.33 H new ATOM 0 HD21 ASN A 69 12.332 -22.094 -8.835 1.00 32.44 H new ATOM 0 HD22 ASN A 69 10.732 -22.174 -9.579 1.00 32.44 H new ATOM 1080 N ALA A 70 10.202 -17.186 -12.471 1.00 12.32 N ATOM 1081 CA ALA A 70 9.506 -16.590 -13.605 1.00 22.11 C ATOM 1082 C ALA A 70 9.322 -17.603 -14.730 1.00 23.12 C ATOM 1083 O ALA A 70 9.381 -17.253 -15.909 1.00 31.14 O ATOM 1084 CB ALA A 70 10.265 -15.371 -14.108 1.00 70.24 C ATOM 0 H ALA A 70 11.219 -17.173 -12.546 1.00 12.32 H new ATOM 0 HA ALA A 70 8.518 -16.276 -13.269 1.00 22.11 H new ATOM 0 HB1 ALA A 70 9.734 -14.936 -14.955 1.00 70.24 H new ATOM 0 HB2 ALA A 70 10.340 -14.634 -13.309 1.00 70.24 H new ATOM 0 HB3 ALA A 70 11.266 -15.669 -14.421 1.00 70.24 H new ATOM 1090 N ARG A 71 9.101 -18.860 -14.358 1.00 13.41 N ATOM 1091 CA ARG A 71 8.910 -19.924 -15.336 1.00 43.42 C ATOM 1092 C ARG A 71 7.546 -19.806 -16.009 1.00 13.11 C ATOM 1093 O ARG A 71 7.396 -20.116 -17.190 1.00 23.11 O ATOM 1094 CB ARG A 71 9.044 -21.292 -14.666 1.00 31.14 C ATOM 1095 CG ARG A 71 10.433 -21.567 -14.113 1.00 40.33 C ATOM 1096 CD ARG A 71 11.478 -21.585 -15.218 1.00 71.50 C ATOM 1097 NE ARG A 71 11.123 -22.510 -16.292 1.00 12.43 N ATOM 1098 CZ ARG A 71 11.741 -22.543 -17.467 1.00 21.21 C ATOM 1099 NH1 ARG A 71 12.740 -21.709 -17.718 1.00 44.21 N ATOM 1100 NH2 ARG A 71 11.360 -23.413 -18.394 1.00 23.13 N ATOM 0 H ARG A 71 9.050 -19.166 -13.386 1.00 13.41 H new ATOM 0 HA ARG A 71 9.682 -19.824 -16.099 1.00 43.42 H new ATOM 0 HB2 ARG A 71 8.319 -21.362 -13.855 1.00 31.14 H new ATOM 0 HB3 ARG A 71 8.790 -22.067 -15.389 1.00 31.14 H new ATOM 0 HG2 ARG A 71 10.691 -20.804 -13.379 1.00 40.33 H new ATOM 0 HG3 ARG A 71 10.436 -22.525 -13.592 1.00 40.33 H new ATOM 0 HD2 ARG A 71 11.591 -20.581 -15.627 1.00 71.50 H new ATOM 0 HD3 ARG A 71 12.444 -21.869 -14.799 1.00 71.50 H new ATOM 0 HE ARG A 71 10.359 -23.166 -16.130 1.00 12.43 H new ATOM 0 HH11 ARG A 71 13.036 -21.039 -17.008 1.00 44.21 H new ATOM 0 HH12 ARG A 71 13.213 -21.737 -18.621 1.00 44.21 H new ATOM 0 HH21 ARG A 71 10.592 -24.057 -18.204 1.00 23.13 H new ATOM 0 HH22 ARG A 71 11.835 -23.438 -19.296 1.00 23.13 H new ATOM 1114 N ASN A 72 6.553 -19.356 -15.248 1.00 23.23 N ATOM 1115 CA ASN A 72 5.201 -19.199 -15.770 1.00 13.42 C ATOM 1116 C ASN A 72 5.154 -18.113 -16.841 1.00 61.41 C ATOM 1117 O ASN A 72 4.345 -18.175 -17.768 1.00 5.25 O ATOM 1118 CB ASN A 72 4.231 -18.855 -14.637 1.00 44.31 C ATOM 1119 CG ASN A 72 3.651 -20.091 -13.978 1.00 13.22 C ATOM 1120 OD1 ASN A 72 4.293 -20.718 -13.135 1.00 73.23 O ATOM 1121 ND2 ASN A 72 2.430 -20.447 -14.360 1.00 14.53 N ATOM 0 H ASN A 72 6.660 -19.094 -14.268 1.00 23.23 H new ATOM 0 HA ASN A 72 4.901 -20.144 -16.222 1.00 13.42 H new ATOM 0 HB2 ASN A 72 4.749 -18.256 -13.888 1.00 44.31 H new ATOM 0 HB3 ASN A 72 3.420 -18.242 -15.030 1.00 44.31 H new ATOM 0 HD21 ASN A 72 1.987 -21.270 -13.951 1.00 14.53 H new ATOM 0 HD22 ASN A 72 1.935 -19.897 -15.062 1.00 14.53 H new ATOM 1128 N PHE A 73 6.027 -17.121 -16.708 1.00 43.52 N ATOM 1129 CA PHE A 73 6.086 -16.021 -17.664 1.00 41.02 C ATOM 1130 C PHE A 73 7.044 -16.345 -18.807 1.00 41.50 C ATOM 1131 O PHE A 73 7.861 -15.512 -19.202 1.00 41.33 O ATOM 1132 CB PHE A 73 6.525 -14.732 -16.965 1.00 72.44 C ATOM 1133 CG PHE A 73 5.511 -14.203 -15.992 1.00 74.21 C ATOM 1134 CD1 PHE A 73 5.368 -14.777 -14.739 1.00 73.43 C ATOM 1135 CD2 PHE A 73 4.700 -13.132 -16.330 1.00 53.23 C ATOM 1136 CE1 PHE A 73 4.436 -14.293 -13.841 1.00 54.41 C ATOM 1137 CE2 PHE A 73 3.766 -12.642 -15.436 1.00 63.52 C ATOM 1138 CZ PHE A 73 3.633 -13.224 -14.191 1.00 22.34 C ATOM 0 H PHE A 73 6.704 -17.056 -15.948 1.00 43.52 H new ATOM 0 HA PHE A 73 5.088 -15.879 -18.079 1.00 41.02 H new ATOM 0 HB2 PHE A 73 7.462 -14.915 -16.438 1.00 72.44 H new ATOM 0 HB3 PHE A 73 6.726 -13.970 -17.718 1.00 72.44 H new ATOM 0 HD1 PHE A 73 5.993 -15.613 -14.461 1.00 73.43 H new ATOM 0 HD2 PHE A 73 4.798 -12.674 -17.303 1.00 53.23 H new ATOM 0 HE1 PHE A 73 4.335 -14.749 -12.867 1.00 54.41 H new ATOM 0 HE2 PHE A 73 3.141 -11.805 -15.711 1.00 63.52 H new ATOM 0 HZ PHE A 73 2.903 -12.844 -13.492 1.00 22.34 H new ATOM 1148 N LEU A 74 6.938 -17.560 -19.333 1.00 43.44 N ATOM 1149 CA LEU A 74 7.795 -17.995 -20.431 1.00 30.21 C ATOM 1150 C LEU A 74 7.250 -17.512 -21.771 1.00 65.44 C ATOM 1151 O LEU A 74 8.011 -17.135 -22.664 1.00 32.32 O ATOM 1152 CB LEU A 74 7.915 -19.520 -20.436 1.00 22.22 C ATOM 1153 CG LEU A 74 9.185 -20.091 -21.068 1.00 20.32 C ATOM 1154 CD1 LEU A 74 9.244 -19.751 -22.549 1.00 13.02 C ATOM 1155 CD2 LEU A 74 10.420 -19.568 -20.349 1.00 62.31 C ATOM 0 H LEU A 74 6.268 -18.261 -19.018 1.00 43.44 H new ATOM 0 HA LEU A 74 8.783 -17.559 -20.283 1.00 30.21 H new ATOM 0 HB2 LEU A 74 7.855 -19.873 -19.406 1.00 22.22 H new ATOM 0 HB3 LEU A 74 7.054 -19.931 -20.964 1.00 22.22 H new ATOM 0 HG LEU A 74 9.162 -21.176 -20.966 1.00 20.32 H new ATOM 0 HD11 LEU A 74 10.155 -20.166 -22.981 1.00 13.02 H new ATOM 0 HD12 LEU A 74 8.376 -20.175 -23.055 1.00 13.02 H new ATOM 0 HD13 LEU A 74 9.243 -18.668 -22.674 1.00 13.02 H new ATOM 0 HD21 LEU A 74 11.314 -19.985 -20.812 1.00 62.31 H new ATOM 0 HD22 LEU A 74 10.448 -18.481 -20.419 1.00 62.31 H new ATOM 0 HD23 LEU A 74 10.383 -19.864 -19.300 1.00 62.31 H new ATOM 1207 N GLY A 78 0.443 -18.442 -18.746 1.00 71.22 N ATOM 1208 CA GLY A 78 0.299 -18.961 -17.398 1.00 50.44 C ATOM 1209 C GLY A 78 0.570 -17.909 -16.341 1.00 13.03 C ATOM 1210 O GLY A 78 1.135 -18.209 -15.289 1.00 1.33 O ATOM 0 HA2 GLY A 78 -0.710 -19.351 -17.268 1.00 50.44 H new ATOM 0 HA3 GLY A 78 0.984 -19.797 -17.258 1.00 50.44 H new ATOM 1214 N ILE A 79 0.167 -16.674 -16.620 1.00 43.11 N ATOM 1215 CA ILE A 79 0.370 -15.575 -15.684 1.00 45.25 C ATOM 1216 C ILE A 79 -0.618 -15.649 -14.526 1.00 32.11 C ATOM 1217 O ILE A 79 -0.236 -15.529 -13.363 1.00 3.04 O ATOM 1218 CB ILE A 79 0.226 -14.209 -16.381 1.00 3.31 C ATOM 1219 CG1 ILE A 79 1.116 -14.149 -17.624 1.00 61.11 C ATOM 1220 CG2 ILE A 79 0.576 -13.084 -15.418 1.00 50.11 C ATOM 1221 CD1 ILE A 79 0.950 -12.877 -18.425 1.00 44.23 C ATOM 0 H ILE A 79 -0.302 -16.409 -17.486 1.00 43.11 H new ATOM 0 HA ILE A 79 1.385 -15.672 -15.298 1.00 45.25 H new ATOM 0 HB ILE A 79 -0.811 -14.085 -16.694 1.00 3.31 H new ATOM 0 HG12 ILE A 79 2.158 -14.244 -17.320 1.00 61.11 H new ATOM 0 HG13 ILE A 79 0.892 -15.003 -18.263 1.00 61.11 H new ATOM 0 HG21 ILE A 79 0.470 -12.125 -15.925 1.00 50.11 H new ATOM 0 HG22 ILE A 79 -0.095 -13.117 -14.560 1.00 50.11 H new ATOM 0 HG23 ILE A 79 1.605 -13.203 -15.078 1.00 50.11 H new ATOM 0 HD11 ILE A 79 1.611 -12.904 -19.291 1.00 44.23 H new ATOM 0 HD12 ILE A 79 -0.084 -12.790 -18.760 1.00 44.23 H new ATOM 0 HD13 ILE A 79 1.203 -12.019 -17.802 1.00 44.23 H new ATOM 1233 N GLU A 80 -1.891 -15.850 -14.853 1.00 40.22 N ATOM 1234 CA GLU A 80 -2.935 -15.941 -13.839 1.00 25.32 C ATOM 1235 C GLU A 80 -2.559 -16.956 -12.762 1.00 53.42 C ATOM 1236 O GLU A 80 -2.868 -16.770 -11.586 1.00 15.32 O ATOM 1237 CB GLU A 80 -4.268 -16.332 -14.480 1.00 44.24 C ATOM 1238 CG GLU A 80 -4.823 -15.275 -15.421 1.00 32.35 C ATOM 1239 CD GLU A 80 -5.734 -15.860 -16.482 1.00 75.21 C ATOM 1240 OE1 GLU A 80 -5.999 -17.080 -16.430 1.00 3.32 O ATOM 1241 OE2 GLU A 80 -6.183 -15.099 -17.365 1.00 20.24 O ATOM 0 H GLU A 80 -2.224 -15.953 -15.812 1.00 40.22 H new ATOM 0 HA GLU A 80 -3.039 -14.962 -13.372 1.00 25.32 H new ATOM 0 HB2 GLU A 80 -4.138 -17.264 -15.030 1.00 44.24 H new ATOM 0 HB3 GLU A 80 -4.997 -16.525 -13.693 1.00 44.24 H new ATOM 0 HG2 GLU A 80 -5.374 -14.533 -14.843 1.00 32.35 H new ATOM 0 HG3 GLU A 80 -3.997 -14.754 -15.904 1.00 32.35 H new ATOM 1248 N GLU A 81 -1.891 -18.028 -13.175 1.00 75.40 N ATOM 1249 CA GLU A 81 -1.475 -19.073 -12.246 1.00 55.42 C ATOM 1250 C GLU A 81 -0.630 -18.491 -11.117 1.00 12.03 C ATOM 1251 O GLU A 81 -1.059 -18.447 -9.963 1.00 71.41 O ATOM 1252 CB GLU A 81 -0.686 -20.156 -12.983 1.00 64.40 C ATOM 1253 CG GLU A 81 -0.264 -21.314 -12.093 1.00 53.31 C ATOM 1254 CD GLU A 81 -1.343 -22.371 -11.961 1.00 14.44 C ATOM 1255 OE1 GLU A 81 -1.450 -22.976 -10.873 1.00 51.41 O ATOM 1256 OE2 GLU A 81 -2.081 -22.593 -12.943 1.00 63.14 O ATOM 0 H GLU A 81 -1.626 -18.196 -14.146 1.00 75.40 H new ATOM 0 HA GLU A 81 -2.371 -19.518 -11.813 1.00 55.42 H new ATOM 0 HB2 GLU A 81 -1.292 -20.541 -13.803 1.00 64.40 H new ATOM 0 HB3 GLU A 81 0.203 -19.708 -13.427 1.00 64.40 H new ATOM 0 HG2 GLU A 81 0.638 -21.770 -12.500 1.00 53.31 H new ATOM 0 HG3 GLU A 81 -0.010 -20.933 -11.104 1.00 53.31 H new ATOM 1263 N THR A 82 0.575 -18.045 -11.457 1.00 2.13 N ATOM 1264 CA THR A 82 1.482 -17.468 -10.473 1.00 2.33 C ATOM 1265 C THR A 82 0.885 -16.214 -9.844 1.00 45.31 C ATOM 1266 O THR A 82 1.030 -15.979 -8.644 1.00 50.12 O ATOM 1267 CB THR A 82 2.843 -17.115 -11.102 1.00 41.11 C ATOM 1268 OG1 THR A 82 3.254 -18.155 -11.997 1.00 35.04 O ATOM 1269 CG2 THR A 82 3.901 -16.917 -10.027 1.00 42.32 C ATOM 0 H THR A 82 0.946 -18.072 -12.407 1.00 2.13 H new ATOM 0 HA THR A 82 1.632 -18.223 -9.701 1.00 2.33 H new ATOM 0 HB THR A 82 2.731 -16.183 -11.656 1.00 41.11 H new ATOM 0 HG1 THR A 82 3.036 -19.027 -11.607 1.00 35.04 H new ATOM 0 HG21 THR A 82 4.853 -16.669 -10.495 1.00 42.32 H new ATOM 0 HG22 THR A 82 3.600 -16.105 -9.365 1.00 42.32 H new ATOM 0 HG23 THR A 82 4.009 -17.835 -9.449 1.00 42.32 H new ATOM 1277 N LYS A 83 0.213 -15.410 -10.662 1.00 25.15 N ATOM 1278 CA LYS A 83 -0.408 -14.180 -10.186 1.00 1.22 C ATOM 1279 C LYS A 83 -1.279 -14.448 -8.963 1.00 1.14 C ATOM 1280 O LYS A 83 -1.317 -13.646 -8.030 1.00 23.34 O ATOM 1281 CB LYS A 83 -1.250 -13.547 -11.296 1.00 60.10 C ATOM 1282 CG LYS A 83 -1.736 -12.146 -10.967 1.00 62.04 C ATOM 1283 CD LYS A 83 -0.777 -11.087 -11.485 1.00 64.53 C ATOM 1284 CE LYS A 83 -1.016 -9.743 -10.816 1.00 12.20 C ATOM 1285 NZ LYS A 83 -2.442 -9.324 -10.907 1.00 74.15 N ATOM 0 H LYS A 83 0.085 -15.589 -11.658 1.00 25.15 H new ATOM 0 HA LYS A 83 0.385 -13.489 -9.901 1.00 1.22 H new ATOM 0 HB2 LYS A 83 -0.661 -13.512 -12.212 1.00 60.10 H new ATOM 0 HB3 LYS A 83 -2.112 -14.184 -11.495 1.00 60.10 H new ATOM 0 HG2 LYS A 83 -2.722 -11.990 -11.404 1.00 62.04 H new ATOM 0 HG3 LYS A 83 -1.846 -12.042 -9.888 1.00 62.04 H new ATOM 0 HD2 LYS A 83 0.250 -11.406 -11.306 1.00 64.53 H new ATOM 0 HD3 LYS A 83 -0.896 -10.984 -12.564 1.00 64.53 H new ATOM 0 HE2 LYS A 83 -0.721 -9.801 -9.768 1.00 12.20 H new ATOM 0 HE3 LYS A 83 -0.385 -8.987 -11.284 1.00 12.20 H new ATOM 0 HZ1 LYS A 83 -2.496 -8.354 -11.279 1.00 74.15 H new ATOM 0 HZ2 LYS A 83 -2.953 -9.968 -11.544 1.00 74.15 H new ATOM 0 HZ3 LYS A 83 -2.874 -9.356 -9.962 1.00 74.15 H new ATOM 1299 N GLN A 84 -1.975 -15.580 -8.974 1.00 54.23 N ATOM 1300 CA GLN A 84 -2.845 -15.953 -7.865 1.00 1.42 C ATOM 1301 C GLN A 84 -2.037 -16.170 -6.590 1.00 33.15 C ATOM 1302 O GLN A 84 -2.499 -15.861 -5.492 1.00 10.54 O ATOM 1303 CB GLN A 84 -3.630 -17.220 -8.208 1.00 1.21 C ATOM 1304 CG GLN A 84 -4.981 -16.944 -8.848 1.00 62.03 C ATOM 1305 CD GLN A 84 -5.687 -18.211 -9.289 1.00 14.14 C ATOM 1306 OE1 GLN A 84 -6.836 -18.455 -8.919 1.00 32.32 O ATOM 1307 NE2 GLN A 84 -5.003 -19.025 -10.083 1.00 61.24 N ATOM 0 H GLN A 84 -1.953 -16.255 -9.739 1.00 54.23 H new ATOM 0 HA GLN A 84 -3.546 -15.136 -7.695 1.00 1.42 H new ATOM 0 HB2 GLN A 84 -3.035 -17.834 -8.885 1.00 1.21 H new ATOM 0 HB3 GLN A 84 -3.780 -17.802 -7.299 1.00 1.21 H new ATOM 0 HG2 GLN A 84 -5.612 -16.409 -8.139 1.00 62.03 H new ATOM 0 HG3 GLN A 84 -4.844 -16.290 -9.709 1.00 62.03 H new ATOM 0 HE21 GLN A 84 -4.053 -18.783 -10.365 1.00 61.24 H new ATOM 0 HE22 GLN A 84 -5.427 -19.893 -10.411 1.00 61.24 H new ATOM 1316 N GLN A 85 -0.830 -16.705 -6.743 1.00 52.44 N ATOM 1317 CA GLN A 85 0.041 -16.964 -5.603 1.00 73.41 C ATOM 1318 C GLN A 85 0.591 -15.662 -5.030 1.00 73.25 C ATOM 1319 O GLN A 85 0.488 -15.409 -3.830 1.00 14.31 O ATOM 1320 CB GLN A 85 1.194 -17.882 -6.014 1.00 13.13 C ATOM 1321 CG GLN A 85 0.746 -19.116 -6.781 1.00 10.51 C ATOM 1322 CD GLN A 85 -0.272 -19.940 -6.017 1.00 65.25 C ATOM 1323 OE1 GLN A 85 0.081 -20.709 -5.123 1.00 20.04 O ATOM 1324 NE2 GLN A 85 -1.543 -19.784 -6.368 1.00 21.25 N ATOM 0 H GLN A 85 -0.433 -16.967 -7.645 1.00 52.44 H new ATOM 0 HA GLN A 85 -0.550 -17.457 -4.831 1.00 73.41 H new ATOM 0 HB2 GLN A 85 1.896 -17.318 -6.628 1.00 13.13 H new ATOM 0 HB3 GLN A 85 1.734 -18.196 -5.121 1.00 13.13 H new ATOM 0 HG2 GLN A 85 0.318 -18.810 -7.736 1.00 10.51 H new ATOM 0 HG3 GLN A 85 1.615 -19.735 -7.005 1.00 10.51 H new ATOM 0 HE21 GLN A 85 -1.790 -19.135 -7.115 1.00 21.25 H new ATOM 0 HE22 GLN A 85 -2.273 -20.313 -5.890 1.00 21.25 H new ATOM 1333 N ILE A 86 1.175 -14.841 -5.896 1.00 53.14 N ATOM 1334 CA ILE A 86 1.740 -13.565 -5.476 1.00 41.21 C ATOM 1335 C ILE A 86 0.655 -12.628 -4.956 1.00 4.23 C ATOM 1336 O ILE A 86 0.880 -11.859 -4.020 1.00 43.32 O ATOM 1337 CB ILE A 86 2.489 -12.874 -6.631 1.00 4.45 C ATOM 1338 CG1 ILE A 86 3.659 -13.741 -7.100 1.00 5.34 C ATOM 1339 CG2 ILE A 86 2.981 -11.501 -6.196 1.00 41.00 C ATOM 1340 CD1 ILE A 86 3.668 -13.988 -8.592 1.00 30.21 C ATOM 0 H ILE A 86 1.269 -15.037 -6.893 1.00 53.14 H new ATOM 0 HA ILE A 86 2.445 -13.781 -4.674 1.00 41.21 H new ATOM 0 HB ILE A 86 1.800 -12.744 -7.466 1.00 4.45 H new ATOM 0 HG12 ILE A 86 4.594 -13.260 -6.814 1.00 5.34 H new ATOM 0 HG13 ILE A 86 3.621 -14.699 -6.582 1.00 5.34 H new ATOM 0 HG21 ILE A 86 3.508 -11.025 -7.023 1.00 41.00 H new ATOM 0 HG22 ILE A 86 2.130 -10.885 -5.905 1.00 41.00 H new ATOM 0 HG23 ILE A 86 3.657 -11.609 -5.348 1.00 41.00 H new ATOM 0 HD11 ILE A 86 4.525 -14.609 -8.853 1.00 30.21 H new ATOM 0 HD12 ILE A 86 2.749 -14.497 -8.882 1.00 30.21 H new ATOM 0 HD13 ILE A 86 3.737 -13.036 -9.118 1.00 30.21 H new ATOM 1352 N LEU A 87 -0.522 -12.698 -5.566 1.00 72.23 N ATOM 1353 CA LEU A 87 -1.644 -11.857 -5.164 1.00 33.32 C ATOM 1354 C LEU A 87 -2.156 -12.256 -3.783 1.00 71.44 C ATOM 1355 O LEU A 87 -2.704 -11.433 -3.050 1.00 1.23 O ATOM 1356 CB LEU A 87 -2.776 -11.958 -6.188 1.00 43.44 C ATOM 1357 CG LEU A 87 -4.052 -11.183 -5.857 1.00 44.34 C ATOM 1358 CD1 LEU A 87 -3.835 -9.690 -6.052 1.00 73.11 C ATOM 1359 CD2 LEU A 87 -5.210 -11.672 -6.714 1.00 51.25 C ATOM 0 H LEU A 87 -0.725 -13.329 -6.341 1.00 72.23 H new ATOM 0 HA LEU A 87 -1.295 -10.826 -5.118 1.00 33.32 H new ATOM 0 HB2 LEU A 87 -2.401 -11.608 -7.150 1.00 43.44 H new ATOM 0 HB3 LEU A 87 -3.035 -13.010 -6.311 1.00 43.44 H new ATOM 0 HG LEU A 87 -4.301 -11.360 -4.811 1.00 44.34 H new ATOM 0 HD11 LEU A 87 -4.753 -9.154 -5.812 1.00 73.11 H new ATOM 0 HD12 LEU A 87 -3.034 -9.350 -5.395 1.00 73.11 H new ATOM 0 HD13 LEU A 87 -3.562 -9.494 -7.089 1.00 73.11 H new ATOM 0 HD21 LEU A 87 -6.110 -11.109 -6.465 1.00 51.25 H new ATOM 0 HD22 LEU A 87 -4.970 -11.526 -7.767 1.00 51.25 H new ATOM 0 HD23 LEU A 87 -5.381 -12.732 -6.525 1.00 51.25 H new ATOM 1371 N THR A 88 -1.972 -13.526 -3.434 1.00 13.11 N ATOM 1372 CA THR A 88 -2.414 -14.035 -2.142 1.00 11.54 C ATOM 1373 C THR A 88 -1.913 -13.153 -1.003 1.00 63.23 C ATOM 1374 O THR A 88 -2.593 -12.983 0.008 1.00 74.34 O ATOM 1375 CB THR A 88 -1.929 -15.478 -1.910 1.00 43.01 C ATOM 1376 OG1 THR A 88 -2.444 -16.338 -2.932 1.00 72.04 O ATOM 1377 CG2 THR A 88 -2.369 -15.984 -0.545 1.00 24.42 C ATOM 0 H THR A 88 -1.520 -14.221 -4.029 1.00 13.11 H new ATOM 0 HA THR A 88 -3.504 -14.024 -2.155 1.00 11.54 H new ATOM 0 HB THR A 88 -0.840 -15.482 -1.947 1.00 43.01 H new ATOM 0 HG1 THR A 88 -2.019 -16.120 -3.788 1.00 72.04 H new ATOM 0 HG21 THR A 88 -2.015 -17.005 -0.404 1.00 24.42 H new ATOM 0 HG22 THR A 88 -1.951 -15.344 0.232 1.00 24.42 H new ATOM 0 HG23 THR A 88 -3.457 -15.966 -0.484 1.00 24.42 H new ATOM 1385 N GLU A 89 -0.719 -12.595 -1.175 1.00 43.43 N ATOM 1386 CA GLU A 89 -0.127 -11.730 -0.161 1.00 32.44 C ATOM 1387 C GLU A 89 -0.415 -10.262 -0.461 1.00 60.24 C ATOM 1388 O GLU A 89 -0.639 -9.463 0.448 1.00 3.53 O ATOM 1389 CB GLU A 89 1.384 -11.959 -0.082 1.00 34.44 C ATOM 1390 CG GLU A 89 2.087 -11.851 -1.424 1.00 73.22 C ATOM 1391 CD GLU A 89 3.596 -11.925 -1.300 1.00 22.21 C ATOM 1392 OE1 GLU A 89 4.173 -11.086 -0.577 1.00 21.12 O ATOM 1393 OE2 GLU A 89 4.200 -12.821 -1.925 1.00 63.33 O ATOM 0 H GLU A 89 -0.143 -12.726 -2.006 1.00 43.43 H new ATOM 0 HA GLU A 89 -0.576 -11.981 0.800 1.00 32.44 H new ATOM 0 HB2 GLU A 89 1.818 -11.232 0.605 1.00 34.44 H new ATOM 0 HB3 GLU A 89 1.572 -12.947 0.338 1.00 34.44 H new ATOM 0 HG2 GLU A 89 1.740 -12.652 -2.077 1.00 73.22 H new ATOM 0 HG3 GLU A 89 1.811 -10.910 -1.900 1.00 73.22 H new ATOM 1400 N LEU A 90 -0.407 -9.915 -1.744 1.00 1.35 N ATOM 1401 CA LEU A 90 -0.666 -8.543 -2.166 1.00 15.30 C ATOM 1402 C LEU A 90 -1.976 -8.030 -1.576 1.00 54.12 C ATOM 1403 O LEU A 90 -2.014 -6.969 -0.954 1.00 40.32 O ATOM 1404 CB LEU A 90 -0.714 -8.459 -3.693 1.00 2.44 C ATOM 1405 CG LEU A 90 0.608 -8.706 -4.420 1.00 23.32 C ATOM 1406 CD1 LEU A 90 0.363 -8.981 -5.895 1.00 73.32 C ATOM 1407 CD2 LEU A 90 1.544 -7.519 -4.245 1.00 53.32 C ATOM 0 H LEU A 90 -0.224 -10.564 -2.509 1.00 1.35 H new ATOM 0 HA LEU A 90 0.147 -7.916 -1.799 1.00 15.30 H new ATOM 0 HB2 LEU A 90 -1.445 -9.183 -4.054 1.00 2.44 H new ATOM 0 HB3 LEU A 90 -1.080 -7.471 -3.971 1.00 2.44 H new ATOM 0 HG LEU A 90 1.082 -9.584 -3.982 1.00 23.32 H new ATOM 0 HD11 LEU A 90 1.315 -9.154 -6.396 1.00 73.32 H new ATOM 0 HD12 LEU A 90 -0.268 -9.863 -6.001 1.00 73.32 H new ATOM 0 HD13 LEU A 90 -0.134 -8.123 -6.347 1.00 73.32 H new ATOM 0 HD21 LEU A 90 2.480 -7.713 -4.769 1.00 53.32 H new ATOM 0 HD22 LEU A 90 1.077 -6.624 -4.656 1.00 53.32 H new ATOM 0 HD23 LEU A 90 1.747 -7.369 -3.185 1.00 53.32 H new ATOM 1419 N GLN A 91 -3.047 -8.792 -1.775 1.00 11.14 N ATOM 1420 CA GLN A 91 -4.358 -8.415 -1.261 1.00 15.42 C ATOM 1421 C GLN A 91 -4.852 -9.426 -0.232 1.00 23.42 C ATOM 1422 O GLN A 91 -6.050 -9.690 -0.129 1.00 60.00 O ATOM 1423 CB GLN A 91 -5.366 -8.302 -2.407 1.00 24.44 C ATOM 1424 CG GLN A 91 -5.525 -9.586 -3.205 1.00 20.55 C ATOM 1425 CD GLN A 91 -6.713 -10.412 -2.751 1.00 3.03 C ATOM 1426 OE1 GLN A 91 -7.865 -10.034 -2.967 1.00 23.43 O ATOM 1427 NE2 GLN A 91 -6.438 -11.547 -2.118 1.00 12.43 N ATOM 0 H GLN A 91 -3.032 -9.673 -2.288 1.00 11.14 H new ATOM 0 HA GLN A 91 -4.263 -7.445 -0.773 1.00 15.42 H new ATOM 0 HB2 GLN A 91 -6.335 -8.014 -2.000 1.00 24.44 H new ATOM 0 HB3 GLN A 91 -5.052 -7.503 -3.079 1.00 24.44 H new ATOM 0 HG2 GLN A 91 -5.640 -9.341 -4.261 1.00 20.55 H new ATOM 0 HG3 GLN A 91 -4.617 -10.181 -3.113 1.00 20.55 H new ATOM 0 HE21 GLN A 91 -5.468 -11.821 -1.961 1.00 12.43 H new ATOM 0 HE22 GLN A 91 -7.197 -12.144 -1.789 1.00 12.43 H new ATOM 1436 N LYS A 92 -3.920 -9.991 0.529 1.00 71.53 N ATOM 1437 CA LYS A 92 -4.259 -10.974 1.551 1.00 22.31 C ATOM 1438 C LYS A 92 -5.410 -10.480 2.421 1.00 1.42 C ATOM 1439 O LYS A 92 -6.395 -11.189 2.626 1.00 31.12 O ATOM 1440 CB LYS A 92 -3.038 -11.274 2.424 1.00 50.00 C ATOM 1441 CG LYS A 92 -3.284 -12.354 3.463 1.00 23.21 C ATOM 1442 CD LYS A 92 -2.999 -13.739 2.906 1.00 11.10 C ATOM 1443 CE LYS A 92 -4.230 -14.336 2.240 1.00 4.51 C ATOM 1444 NZ LYS A 92 -4.197 -15.824 2.248 1.00 74.33 N ATOM 0 H LYS A 92 -2.924 -9.785 0.457 1.00 71.53 H new ATOM 0 HA LYS A 92 -4.573 -11.889 1.049 1.00 22.31 H new ATOM 0 HB2 LYS A 92 -2.210 -11.579 1.784 1.00 50.00 H new ATOM 0 HB3 LYS A 92 -2.729 -10.359 2.929 1.00 50.00 H new ATOM 0 HG2 LYS A 92 -2.653 -12.174 4.333 1.00 23.21 H new ATOM 0 HG3 LYS A 92 -4.318 -12.304 3.804 1.00 23.21 H new ATOM 0 HD2 LYS A 92 -2.185 -13.681 2.183 1.00 11.10 H new ATOM 0 HD3 LYS A 92 -2.665 -14.394 3.711 1.00 11.10 H new ATOM 0 HE2 LYS A 92 -5.126 -13.990 2.755 1.00 4.51 H new ATOM 0 HE3 LYS A 92 -4.296 -13.980 1.212 1.00 4.51 H new ATOM 0 HZ1 LYS A 92 -4.879 -16.190 1.553 1.00 74.33 H new ATOM 0 HZ2 LYS A 92 -3.241 -16.151 2.001 1.00 74.33 H new ATOM 0 HZ3 LYS A 92 -4.448 -16.172 3.196 1.00 74.33 H new