USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 608 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 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 73 THR OG1 : rot 64:sc= 1.29 USER MOD Set 2.1: A 64 ASN : amide:sc= -0.0669 K(o=0.36,f=-5.2!) USER MOD Set 2.2: A 66 THR OG1 : rot 180:sc= 0.432 USER MOD Set 3.1: A 6 TYR OH : rot -103:sc= 0.113 USER MOD Set 3.2: A 38 TYR OH : rot 30:sc= 0.107 USER MOD Set 4.1: A 1 MET N :NH3+ -135:sc= -1.15 (180deg=-3.86!) USER MOD Set 4.2: A 22 ASN : amide:sc= -0.176 K(o=-1.3,f=-3.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.828 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.00348 USER MOD Single : A 14 THR OG1 : rot 139:sc= 1.86 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0565) USER MOD Single : A 20 THR OG1 : rot 148:sc= 0.495 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -52:sc= -1.01 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc=-0.00686 X(o=-0.0069,f=0) USER MOD Single : A 46 MET CE :methyl -102:sc= -0.176 (180deg=-1.42) USER MOD Single : A 47 TYR OH : rot -65:sc= 1.27 USER MOD Single : A 50 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.17) USER MOD Single : A 51 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.2) USER MOD Single : A 54 LYS NZ :NH3+ 161:sc=-0.00528 (180deg=-0.5) USER MOD Single : A 55 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.5) USER MOD Single : A 61 ASN : amide:sc= -6.73! C(o=-6.7!,f=-14!) USER MOD Single : A 63 ASN : amide:sc= -0.387 K(o=-0.39,f=-1.1) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00907) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.620 11.887 6.935 1.00 74.43 N ATOM 2 CA MET A 1 -1.705 10.814 7.304 1.00 25.14 C ATOM 3 C MET A 1 -2.303 9.450 6.968 1.00 55.03 C ATOM 4 O MET A 1 -3.514 9.254 7.059 1.00 33.32 O ATOM 5 CB MET A 1 -1.376 10.886 8.796 1.00 45.11 C ATOM 6 CG MET A 1 -0.647 9.658 9.319 1.00 24.14 C ATOM 7 SD MET A 1 0.207 9.967 10.875 1.00 71.02 S ATOM 8 CE MET A 1 -1.179 10.110 12.000 1.00 4.31 C ATOM 0 H1 MET A 1 -2.094 12.640 6.447 1.00 74.43 H new ATOM 0 H2 MET A 1 -3.356 11.513 6.302 1.00 74.43 H new ATOM 0 H3 MET A 1 -3.064 12.275 7.792 1.00 74.43 H new ATOM 0 HA MET A 1 -0.787 10.940 6.731 1.00 25.14 H new ATOM 0 HB2 MET A 1 -0.764 11.768 8.982 1.00 45.11 H new ATOM 0 HB3 MET A 1 -2.301 11.016 9.358 1.00 45.11 H new ATOM 0 HG2 MET A 1 -1.362 8.847 9.457 1.00 24.14 H new ATOM 0 HG3 MET A 1 0.074 9.324 8.573 1.00 24.14 H new ATOM 0 HE1 MET A 1 -0.811 10.303 13.008 1.00 4.31 H new ATOM 0 HE2 MET A 1 -1.820 10.933 11.684 1.00 4.31 H new ATOM 0 HE3 MET A 1 -1.750 9.182 11.994 1.00 4.31 H new ATOM 16 N VAL A 2 -1.444 8.512 6.580 1.00 54.11 N ATOM 17 CA VAL A 2 -1.887 7.168 6.231 1.00 3.51 C ATOM 18 C VAL A 2 -1.154 6.117 7.057 1.00 2.43 C ATOM 19 O VAL A 2 0.058 6.199 7.255 1.00 73.20 O ATOM 20 CB VAL A 2 -1.667 6.875 4.735 1.00 44.20 C ATOM 21 CG1 VAL A 2 -2.395 7.899 3.878 1.00 73.15 C ATOM 22 CG2 VAL A 2 -0.182 6.853 4.410 1.00 51.43 C ATOM 0 H VAL A 2 -0.438 8.659 6.500 1.00 54.11 H new ATOM 0 HA VAL A 2 -2.954 7.119 6.450 1.00 3.51 H new ATOM 0 HB VAL A 2 -2.079 5.891 4.510 1.00 44.20 H new ATOM 0 HG11 VAL A 2 -2.228 7.676 2.824 1.00 73.15 H new ATOM 0 HG12 VAL A 2 -3.463 7.860 4.093 1.00 73.15 H new ATOM 0 HG13 VAL A 2 -2.016 8.896 4.102 1.00 73.15 H new ATOM 0 HG21 VAL A 2 -0.045 6.645 3.349 1.00 51.43 H new ATOM 0 HG22 VAL A 2 0.257 7.821 4.649 1.00 51.43 H new ATOM 0 HG23 VAL A 2 0.308 6.077 4.998 1.00 51.43 H new ATOM 32 N THR A 3 -1.900 5.125 7.538 1.00 74.54 N ATOM 33 CA THR A 3 -1.321 4.057 8.344 1.00 10.03 C ATOM 34 C THR A 3 -1.571 2.694 7.710 1.00 4.04 C ATOM 35 O THR A 3 -2.717 2.263 7.571 1.00 60.25 O ATOM 36 CB THR A 3 -1.894 4.058 9.774 1.00 32.14 C ATOM 37 OG1 THR A 3 -2.121 5.404 10.209 1.00 14.12 O ATOM 38 CG2 THR A 3 -0.946 3.362 10.737 1.00 72.43 C ATOM 0 H THR A 3 -2.905 5.040 7.383 1.00 74.54 H new ATOM 0 HA THR A 3 -0.248 4.242 8.391 1.00 10.03 H new ATOM 0 HB THR A 3 -2.839 3.515 9.764 1.00 32.14 H new ATOM 0 HG1 THR A 3 -2.487 5.397 11.118 1.00 14.12 H new ATOM 0 HG21 THR A 3 -1.372 3.375 11.740 1.00 72.43 H new ATOM 0 HG22 THR A 3 -0.798 2.330 10.419 1.00 72.43 H new ATOM 0 HG23 THR A 3 0.012 3.881 10.743 1.00 72.43 H new ATOM 46 N VAL A 4 -0.494 2.017 7.326 1.00 12.11 N ATOM 47 CA VAL A 4 -0.596 0.700 6.708 1.00 11.53 C ATOM 48 C VAL A 4 -0.331 -0.406 7.724 1.00 33.42 C ATOM 49 O VAL A 4 0.505 -0.256 8.615 1.00 72.30 O ATOM 50 CB VAL A 4 0.389 0.553 5.534 1.00 54.14 C ATOM 51 CG1 VAL A 4 0.151 -0.756 4.799 1.00 25.45 C ATOM 52 CG2 VAL A 4 0.269 1.737 4.586 1.00 53.42 C ATOM 0 H VAL A 4 0.461 2.359 7.432 1.00 12.11 H new ATOM 0 HA VAL A 4 -1.614 0.605 6.331 1.00 11.53 H new ATOM 0 HB VAL A 4 1.403 0.539 5.933 1.00 54.14 H new ATOM 0 HG11 VAL A 4 0.856 -0.843 3.972 1.00 25.45 H new ATOM 0 HG12 VAL A 4 0.293 -1.590 5.486 1.00 25.45 H new ATOM 0 HG13 VAL A 4 -0.867 -0.775 4.411 1.00 25.45 H new ATOM 0 HG21 VAL A 4 0.973 1.616 3.762 1.00 53.42 H new ATOM 0 HG22 VAL A 4 -0.746 1.786 4.192 1.00 53.42 H new ATOM 0 HG23 VAL A 4 0.495 2.658 5.124 1.00 53.42 H new ATOM 62 N ARG A 5 -1.046 -1.516 7.581 1.00 42.43 N ATOM 63 CA ARG A 5 -0.888 -2.648 8.486 1.00 10.13 C ATOM 64 C ARG A 5 -0.288 -3.847 7.757 1.00 11.42 C ATOM 65 O ARG A 5 -0.632 -4.123 6.608 1.00 41.50 O ATOM 66 CB ARG A 5 -2.237 -3.032 9.099 1.00 34.32 C ATOM 67 CG ARG A 5 -2.118 -3.728 10.444 1.00 1.44 C ATOM 68 CD ARG A 5 -3.482 -3.937 11.085 1.00 33.34 C ATOM 69 NE ARG A 5 -4.160 -2.672 11.355 1.00 31.41 N ATOM 70 CZ ARG A 5 -3.871 -1.891 12.389 1.00 14.24 C ATOM 71 NH1 ARG A 5 -2.924 -2.242 13.246 1.00 74.15 N ATOM 72 NH2 ARG A 5 -4.533 -0.753 12.568 1.00 41.14 N ATOM 0 H ARG A 5 -1.741 -1.656 6.847 1.00 42.43 H new ATOM 0 HA ARG A 5 -0.207 -2.351 9.283 1.00 10.13 H new ATOM 0 HB2 ARG A 5 -2.842 -2.133 9.217 1.00 34.32 H new ATOM 0 HB3 ARG A 5 -2.768 -3.685 8.407 1.00 34.32 H new ATOM 0 HG2 ARG A 5 -1.624 -4.691 10.314 1.00 1.44 H new ATOM 0 HG3 ARG A 5 -1.490 -3.134 11.108 1.00 1.44 H new ATOM 0 HD2 ARG A 5 -4.102 -4.547 10.428 1.00 33.34 H new ATOM 0 HD3 ARG A 5 -3.364 -4.491 12.016 1.00 33.34 H new ATOM 0 HE ARG A 5 -4.895 -2.372 10.715 1.00 31.41 H new ATOM 0 HH11 ARG A 5 -2.414 -3.115 13.113 1.00 74.15 H new ATOM 0 HH12 ARG A 5 -2.705 -1.639 14.039 1.00 74.15 H new ATOM 0 HH21 ARG A 5 -5.264 -0.479 11.911 1.00 41.14 H new ATOM 0 HH22 ARG A 5 -4.311 -0.153 13.363 1.00 41.14 H new ATOM 83 N TYR A 6 0.609 -4.556 8.434 1.00 34.32 N ATOM 84 CA TYR A 6 1.258 -5.723 7.850 1.00 42.53 C ATOM 85 C TYR A 6 1.075 -6.950 8.739 1.00 73.24 C ATOM 86 O TYR A 6 0.813 -6.830 9.936 1.00 13.44 O ATOM 87 CB TYR A 6 2.748 -5.451 7.637 1.00 60.50 C ATOM 88 CG TYR A 6 3.042 -4.061 7.120 1.00 50.52 C ATOM 89 CD1 TYR A 6 2.574 -3.646 5.879 1.00 42.24 C ATOM 90 CD2 TYR A 6 3.786 -3.161 7.874 1.00 41.22 C ATOM 91 CE1 TYR A 6 2.841 -2.376 5.404 1.00 25.22 C ATOM 92 CE2 TYR A 6 4.057 -1.890 7.407 1.00 32.04 C ATOM 93 CZ TYR A 6 3.582 -1.502 6.171 1.00 62.33 C ATOM 94 OH TYR A 6 3.849 -0.237 5.701 1.00 10.12 O ATOM 0 H TYR A 6 0.903 -4.343 9.387 1.00 34.32 H new ATOM 0 HA TYR A 6 0.791 -5.923 6.886 1.00 42.53 H new ATOM 0 HB2 TYR A 6 3.274 -5.597 8.580 1.00 60.50 H new ATOM 0 HB3 TYR A 6 3.145 -6.183 6.934 1.00 60.50 H new ATOM 0 HD1 TYR A 6 1.992 -4.327 5.276 1.00 42.24 H new ATOM 0 HD2 TYR A 6 4.159 -3.461 8.842 1.00 41.22 H new ATOM 0 HE1 TYR A 6 2.471 -2.070 4.437 1.00 25.22 H new ATOM 0 HE2 TYR A 6 4.637 -1.204 8.006 1.00 32.04 H new ATOM 0 HH TYR A 6 4.771 -0.198 5.372 1.00 10.12 H new ATOM 103 N TYR A 7 1.219 -8.129 8.145 1.00 24.03 N ATOM 104 CA TYR A 7 1.069 -9.379 8.881 1.00 2.44 C ATOM 105 C TYR A 7 2.295 -10.267 8.703 1.00 12.20 C ATOM 106 O TYR A 7 3.059 -10.486 9.642 1.00 71.34 O ATOM 107 CB TYR A 7 -0.185 -10.122 8.416 1.00 21.10 C ATOM 108 CG TYR A 7 -0.683 -11.150 9.407 1.00 54.12 C ATOM 109 CD1 TYR A 7 -1.513 -10.784 10.459 1.00 24.01 C ATOM 110 CD2 TYR A 7 -0.323 -12.486 9.290 1.00 5.32 C ATOM 111 CE1 TYR A 7 -1.970 -11.720 11.367 1.00 34.13 C ATOM 112 CE2 TYR A 7 -0.777 -13.430 10.192 1.00 52.24 C ATOM 113 CZ TYR A 7 -1.598 -13.041 11.229 1.00 1.54 C ATOM 114 OH TYR A 7 -2.052 -13.976 12.131 1.00 45.53 O ATOM 0 H TYR A 7 1.439 -8.246 7.156 1.00 24.03 H new ATOM 0 HA TYR A 7 0.969 -9.138 9.939 1.00 2.44 H new ATOM 0 HB2 TYR A 7 -0.977 -9.398 8.228 1.00 21.10 H new ATOM 0 HB3 TYR A 7 0.027 -10.616 7.468 1.00 21.10 H new ATOM 0 HD1 TYR A 7 -1.806 -9.750 10.569 1.00 24.01 H new ATOM 0 HD2 TYR A 7 0.323 -12.793 8.480 1.00 5.32 H new ATOM 0 HE1 TYR A 7 -2.614 -11.419 12.180 1.00 34.13 H new ATOM 0 HE2 TYR A 7 -0.490 -14.466 10.085 1.00 52.24 H new ATOM 0 HH TYR A 7 -1.700 -14.859 11.892 1.00 45.53 H new ATOM 123 N ALA A 8 2.477 -10.776 7.489 1.00 72.23 N ATOM 124 CA ALA A 8 3.613 -11.639 7.184 1.00 3.20 C ATOM 125 C ALA A 8 4.099 -11.422 5.756 1.00 71.41 C ATOM 126 O ALA A 8 5.303 -11.368 5.499 1.00 12.52 O ATOM 127 CB ALA A 8 3.239 -13.098 7.401 1.00 71.25 C ATOM 0 H ALA A 8 1.853 -10.606 6.700 1.00 72.23 H new ATOM 0 HA ALA A 8 4.428 -11.379 7.860 1.00 3.20 H new ATOM 0 HB1 ALA A 8 4.095 -13.731 7.170 1.00 71.25 H new ATOM 0 HB2 ALA A 8 2.947 -13.248 8.440 1.00 71.25 H new ATOM 0 HB3 ALA A 8 2.407 -13.361 6.748 1.00 71.25 H new ATOM 133 N THR A 9 3.157 -11.298 4.826 1.00 12.52 N ATOM 134 CA THR A 9 3.489 -11.089 3.422 1.00 52.34 C ATOM 135 C THR A 9 4.344 -9.839 3.241 1.00 3.13 C ATOM 136 O THR A 9 5.108 -9.731 2.281 1.00 23.14 O ATOM 137 CB THR A 9 2.222 -10.962 2.557 1.00 14.11 C ATOM 138 OG1 THR A 9 2.566 -10.484 1.252 1.00 4.32 O ATOM 139 CG2 THR A 9 1.220 -10.014 3.201 1.00 62.21 C ATOM 0 H THR A 9 2.157 -11.339 5.020 1.00 12.52 H new ATOM 0 HA THR A 9 4.054 -11.963 3.097 1.00 52.34 H new ATOM 0 HB THR A 9 1.765 -11.948 2.474 1.00 14.11 H new ATOM 0 HG1 THR A 9 1.755 -10.407 0.707 1.00 4.32 H new ATOM 0 HG21 THR A 9 0.333 -9.940 2.572 1.00 62.21 H new ATOM 0 HG22 THR A 9 0.938 -10.395 4.183 1.00 62.21 H new ATOM 0 HG23 THR A 9 1.671 -9.028 3.310 1.00 62.21 H new ATOM 147 N LEU A 10 4.209 -8.897 4.168 1.00 70.44 N ATOM 148 CA LEU A 10 4.970 -7.654 4.110 1.00 35.03 C ATOM 149 C LEU A 10 5.924 -7.543 5.295 1.00 70.05 C ATOM 150 O LEU A 10 6.026 -6.491 5.926 1.00 51.22 O ATOM 151 CB LEU A 10 4.022 -6.453 4.091 1.00 10.14 C ATOM 152 CG LEU A 10 3.399 -6.112 2.737 1.00 3.12 C ATOM 153 CD1 LEU A 10 2.481 -7.232 2.274 1.00 43.11 C ATOM 154 CD2 LEU A 10 2.638 -4.796 2.816 1.00 71.13 C ATOM 0 H LEU A 10 3.580 -8.970 4.968 1.00 70.44 H new ATOM 0 HA LEU A 10 5.558 -7.660 3.193 1.00 35.03 H new ATOM 0 HB2 LEU A 10 3.217 -6.639 4.802 1.00 10.14 H new ATOM 0 HB3 LEU A 10 4.567 -5.579 4.448 1.00 10.14 H new ATOM 0 HG LEU A 10 4.201 -6.002 2.008 1.00 3.12 H new ATOM 0 HD11 LEU A 10 2.047 -6.971 1.309 1.00 43.11 H new ATOM 0 HD12 LEU A 10 3.053 -8.155 2.177 1.00 43.11 H new ATOM 0 HD13 LEU A 10 1.684 -7.374 3.004 1.00 43.11 H new ATOM 0 HD21 LEU A 10 2.201 -4.569 1.843 1.00 71.13 H new ATOM 0 HD22 LEU A 10 1.845 -4.878 3.559 1.00 71.13 H new ATOM 0 HD23 LEU A 10 3.322 -3.997 3.102 1.00 71.13 H new ATOM 165 N ARG A 11 6.623 -8.635 5.590 1.00 23.45 N ATOM 166 CA ARG A 11 7.570 -8.661 6.697 1.00 14.51 C ATOM 167 C ARG A 11 8.946 -8.178 6.248 1.00 43.21 C ATOM 168 O ARG A 11 9.489 -7.203 6.767 1.00 43.13 O ATOM 169 CB ARG A 11 7.675 -10.074 7.273 1.00 72.41 C ATOM 170 CG ARG A 11 9.048 -10.400 7.839 1.00 70.21 C ATOM 171 CD ARG A 11 9.012 -11.650 8.703 1.00 1.00 C ATOM 172 NE ARG A 11 10.326 -11.973 9.254 1.00 1.31 N ATOM 173 CZ ARG A 11 10.513 -12.829 10.251 1.00 45.44 C ATOM 174 NH1 ARG A 11 9.478 -13.448 10.803 1.00 55.31 N ATOM 175 NH2 ARG A 11 11.740 -13.071 10.699 1.00 12.05 N ATOM 0 H ARG A 11 6.551 -9.513 5.077 1.00 23.45 H new ATOM 0 HA ARG A 11 7.204 -7.987 7.471 1.00 14.51 H new ATOM 0 HB2 ARG A 11 6.929 -10.193 8.059 1.00 72.41 H new ATOM 0 HB3 ARG A 11 7.433 -10.795 6.492 1.00 72.41 H new ATOM 0 HG2 ARG A 11 9.755 -10.542 7.022 1.00 70.21 H new ATOM 0 HG3 ARG A 11 9.408 -9.558 8.430 1.00 70.21 H new ATOM 0 HD2 ARG A 11 8.302 -11.507 9.518 1.00 1.00 H new ATOM 0 HD3 ARG A 11 8.651 -12.490 8.110 1.00 1.00 H new ATOM 0 HE ARG A 11 11.144 -11.516 8.851 1.00 1.31 H new ATOM 0 HH11 ARG A 11 8.534 -13.267 10.462 1.00 55.31 H new ATOM 0 HH12 ARG A 11 9.626 -14.105 11.569 1.00 55.31 H new ATOM 0 HH21 ARG A 11 12.539 -12.599 10.277 1.00 12.05 H new ATOM 0 HH22 ARG A 11 11.883 -13.729 11.465 1.00 12.05 H new ATOM 186 N PRO A 12 9.524 -8.877 5.259 1.00 13.44 N ATOM 187 CA PRO A 12 10.843 -8.538 4.718 1.00 22.12 C ATOM 188 C PRO A 12 10.828 -7.237 3.922 1.00 3.13 C ATOM 189 O PRO A 12 11.867 -6.774 3.451 1.00 41.45 O ATOM 190 CB PRO A 12 11.165 -9.722 3.801 1.00 35.42 C ATOM 191 CG PRO A 12 9.836 -10.270 3.411 1.00 32.32 C ATOM 192 CD PRO A 12 8.934 -10.050 4.593 1.00 32.14 C ATOM 0 HA PRO A 12 11.578 -8.379 5.507 1.00 22.12 H new ATOM 0 HB2 PRO A 12 11.734 -9.403 2.928 1.00 35.42 H new ATOM 0 HB3 PRO A 12 11.766 -10.471 4.317 1.00 35.42 H new ATOM 0 HG2 PRO A 12 9.450 -9.764 2.526 1.00 32.32 H new ATOM 0 HG3 PRO A 12 9.907 -11.330 3.167 1.00 32.32 H new ATOM 0 HD2 PRO A 12 7.906 -9.862 4.284 1.00 32.14 H new ATOM 0 HD3 PRO A 12 8.915 -10.919 5.251 1.00 32.14 H new ATOM 197 N ILE A 13 9.643 -6.652 3.777 1.00 50.15 N ATOM 198 CA ILE A 13 9.494 -5.403 3.039 1.00 42.33 C ATOM 199 C ILE A 13 8.875 -4.319 3.915 1.00 60.12 C ATOM 200 O ILE A 13 8.152 -3.449 3.428 1.00 42.23 O ATOM 201 CB ILE A 13 8.623 -5.592 1.783 1.00 2.21 C ATOM 202 CG1 ILE A 13 7.417 -6.480 2.100 1.00 55.22 C ATOM 203 CG2 ILE A 13 9.446 -6.193 0.654 1.00 23.51 C ATOM 204 CD1 ILE A 13 6.452 -6.623 0.945 1.00 62.12 C ATOM 0 H ILE A 13 8.773 -7.022 4.160 1.00 50.15 H new ATOM 0 HA ILE A 13 10.494 -5.094 2.734 1.00 42.33 H new ATOM 0 HB ILE A 13 8.258 -4.616 1.462 1.00 2.21 H new ATOM 0 HG12 ILE A 13 7.771 -7.469 2.392 1.00 55.22 H new ATOM 0 HG13 ILE A 13 6.886 -6.066 2.957 1.00 55.22 H new ATOM 0 HG21 ILE A 13 8.817 -6.321 -0.227 1.00 23.51 H new ATOM 0 HG22 ILE A 13 10.275 -5.528 0.414 1.00 23.51 H new ATOM 0 HG23 ILE A 13 9.837 -7.162 0.964 1.00 23.51 H new ATOM 0 HD11 ILE A 13 5.623 -7.265 1.241 1.00 62.12 H new ATOM 0 HD12 ILE A 13 6.069 -5.641 0.667 1.00 62.12 H new ATOM 0 HD13 ILE A 13 6.968 -7.066 0.093 1.00 62.12 H new ATOM 215 N THR A 14 9.165 -4.376 5.211 1.00 11.51 N ATOM 216 CA THR A 14 8.638 -3.398 6.156 1.00 63.03 C ATOM 217 C THR A 14 9.703 -2.976 7.161 1.00 54.23 C ATOM 218 O THR A 14 9.414 -2.274 8.130 1.00 43.33 O ATOM 219 CB THR A 14 7.421 -3.953 6.918 1.00 4.21 C ATOM 220 OG1 THR A 14 6.753 -2.895 7.613 1.00 71.04 O ATOM 221 CG2 THR A 14 7.846 -5.027 7.908 1.00 44.52 C ATOM 0 H THR A 14 9.762 -5.089 5.631 1.00 11.51 H new ATOM 0 HA THR A 14 8.328 -2.531 5.573 1.00 63.03 H new ATOM 0 HB THR A 14 6.739 -4.398 6.193 1.00 4.21 H new ATOM 0 HG1 THR A 14 5.783 -3.011 7.531 1.00 71.04 H new ATOM 0 HG21 THR A 14 6.969 -5.404 8.434 1.00 44.52 H new ATOM 0 HG22 THR A 14 8.328 -5.845 7.373 1.00 44.52 H new ATOM 0 HG23 THR A 14 8.546 -4.602 8.627 1.00 44.52 H new ATOM 229 N LYS A 15 10.938 -3.406 6.924 1.00 72.42 N ATOM 230 CA LYS A 15 12.049 -3.071 7.807 1.00 11.05 C ATOM 231 C LYS A 15 11.756 -3.508 9.239 1.00 12.12 C ATOM 232 O LYS A 15 12.230 -2.895 10.195 1.00 51.34 O ATOM 233 CB LYS A 15 12.322 -1.566 7.768 1.00 33.44 C ATOM 234 CG LYS A 15 13.744 -1.195 8.151 1.00 25.01 C ATOM 235 CD LYS A 15 14.731 -1.573 7.060 1.00 72.22 C ATOM 236 CE LYS A 15 14.697 -0.579 5.909 1.00 34.33 C ATOM 237 NZ LYS A 15 15.609 0.575 6.144 1.00 61.24 N ATOM 0 H LYS A 15 11.195 -3.988 6.127 1.00 72.42 H new ATOM 0 HA LYS A 15 12.933 -3.604 7.456 1.00 11.05 H new ATOM 0 HB2 LYS A 15 12.116 -1.194 6.764 1.00 33.44 H new ATOM 0 HB3 LYS A 15 11.630 -1.062 8.443 1.00 33.44 H new ATOM 0 HG2 LYS A 15 13.803 -0.123 8.341 1.00 25.01 H new ATOM 0 HG3 LYS A 15 14.015 -1.699 9.079 1.00 25.01 H new ATOM 0 HD2 LYS A 15 15.737 -1.614 7.477 1.00 72.22 H new ATOM 0 HD3 LYS A 15 14.499 -2.571 6.688 1.00 72.22 H new ATOM 0 HE2 LYS A 15 14.981 -1.083 4.985 1.00 34.33 H new ATOM 0 HE3 LYS A 15 13.679 -0.215 5.774 1.00 34.33 H new ATOM 0 HZ1 LYS A 15 15.556 1.229 5.337 1.00 61.24 H new ATOM 0 HZ2 LYS A 15 15.323 1.072 7.012 1.00 61.24 H new ATOM 0 HZ3 LYS A 15 16.585 0.231 6.248 1.00 61.24 H new ATOM 247 N LYS A 16 10.973 -4.572 9.380 1.00 22.12 N ATOM 248 CA LYS A 16 10.618 -5.094 10.694 1.00 74.14 C ATOM 249 C LYS A 16 10.070 -3.987 11.589 1.00 4.34 C ATOM 250 O LYS A 16 10.469 -3.852 12.745 1.00 65.05 O ATOM 251 CB LYS A 16 11.839 -5.740 11.355 1.00 14.35 C ATOM 252 CG LYS A 16 12.192 -7.101 10.782 1.00 21.34 C ATOM 253 CD LYS A 16 12.956 -7.948 11.785 1.00 73.33 C ATOM 254 CE LYS A 16 14.343 -7.382 12.051 1.00 14.54 C ATOM 255 NZ LYS A 16 15.289 -8.430 12.524 1.00 5.12 N ATOM 0 H LYS A 16 10.572 -5.090 8.599 1.00 22.12 H new ATOM 0 HA LYS A 16 9.842 -5.848 10.561 1.00 74.14 H new ATOM 0 HB2 LYS A 16 12.696 -5.075 11.244 1.00 14.35 H new ATOM 0 HB3 LYS A 16 11.651 -5.843 12.424 1.00 14.35 H new ATOM 0 HG2 LYS A 16 11.280 -7.620 10.486 1.00 21.34 H new ATOM 0 HG3 LYS A 16 12.792 -6.973 9.881 1.00 21.34 H new ATOM 0 HD2 LYS A 16 12.397 -7.999 12.720 1.00 73.33 H new ATOM 0 HD3 LYS A 16 13.044 -8.968 11.410 1.00 73.33 H new ATOM 0 HE2 LYS A 16 14.731 -6.928 11.139 1.00 14.54 H new ATOM 0 HE3 LYS A 16 14.275 -6.591 12.797 1.00 14.54 H new ATOM 0 HZ1 LYS A 16 16.222 -8.004 12.694 1.00 5.12 H new ATOM 0 HZ2 LYS A 16 14.932 -8.846 13.408 1.00 5.12 H new ATOM 0 HZ3 LYS A 16 15.374 -9.173 11.801 1.00 5.12 H new ATOM 265 N LYS A 17 9.148 -3.198 11.047 1.00 34.31 N ATOM 266 CA LYS A 17 8.541 -2.104 11.796 1.00 44.32 C ATOM 267 C LYS A 17 7.498 -1.379 10.952 1.00 64.31 C ATOM 268 O LYS A 17 7.645 -1.261 9.736 1.00 71.01 O ATOM 269 CB LYS A 17 9.614 -1.116 12.258 1.00 42.13 C ATOM 270 CG LYS A 17 9.050 0.157 12.863 1.00 33.42 C ATOM 271 CD LYS A 17 10.154 1.082 13.346 1.00 34.33 C ATOM 272 CE LYS A 17 9.638 2.077 14.373 1.00 13.32 C ATOM 273 NZ LYS A 17 9.415 1.439 15.700 1.00 72.03 N ATOM 0 H LYS A 17 8.805 -3.296 10.091 1.00 34.31 H new ATOM 0 HA LYS A 17 8.046 -2.528 12.670 1.00 44.32 H new ATOM 0 HB2 LYS A 17 10.254 -1.605 12.993 1.00 42.13 H new ATOM 0 HB3 LYS A 17 10.246 -0.856 11.409 1.00 42.13 H new ATOM 0 HG2 LYS A 17 8.440 0.673 12.122 1.00 33.42 H new ATOM 0 HG3 LYS A 17 8.394 -0.095 13.697 1.00 33.42 H new ATOM 0 HD2 LYS A 17 10.960 0.492 13.783 1.00 34.33 H new ATOM 0 HD3 LYS A 17 10.577 1.620 12.497 1.00 34.33 H new ATOM 0 HE2 LYS A 17 10.352 2.894 14.478 1.00 13.32 H new ATOM 0 HE3 LYS A 17 8.704 2.514 14.018 1.00 13.32 H new ATOM 0 HZ1 LYS A 17 9.245 2.175 16.415 1.00 72.03 H new ATOM 0 HZ2 LYS A 17 8.589 0.809 15.648 1.00 72.03 H new ATOM 0 HZ3 LYS A 17 10.255 0.887 15.965 1.00 72.03 H new ATOM 283 N GLU A 18 6.446 -0.895 11.605 1.00 3.21 N ATOM 284 CA GLU A 18 5.380 -0.182 10.912 1.00 13.43 C ATOM 285 C GLU A 18 5.412 1.307 11.251 1.00 23.03 C ATOM 286 O GLU A 18 5.717 1.690 12.380 1.00 24.32 O ATOM 287 CB GLU A 18 4.017 -0.771 11.281 1.00 54.44 C ATOM 288 CG GLU A 18 2.845 -0.034 10.656 1.00 2.31 C ATOM 289 CD GLU A 18 1.513 -0.445 11.252 1.00 23.24 C ATOM 290 OE1 GLU A 18 1.257 -1.663 11.350 1.00 11.25 O ATOM 291 OE2 GLU A 18 0.725 0.452 11.618 1.00 12.31 O ATOM 0 H GLU A 18 6.309 -0.984 12.612 1.00 3.21 H new ATOM 0 HA GLU A 18 5.538 -0.297 9.840 1.00 13.43 H new ATOM 0 HB2 GLU A 18 3.986 -1.815 10.970 1.00 54.44 H new ATOM 0 HB3 GLU A 18 3.907 -0.758 12.365 1.00 54.44 H new ATOM 0 HG2 GLU A 18 2.983 1.039 10.789 1.00 2.31 H new ATOM 0 HG3 GLU A 18 2.832 -0.223 9.583 1.00 2.31 H new ATOM 296 N GLU A 19 5.094 2.139 10.264 1.00 75.13 N ATOM 297 CA GLU A 19 5.088 3.584 10.457 1.00 55.21 C ATOM 298 C GLU A 19 4.043 4.249 9.565 1.00 5.30 C ATOM 299 O GLU A 19 3.554 3.647 8.608 1.00 61.25 O ATOM 300 CB GLU A 19 6.472 4.166 10.161 1.00 14.21 C ATOM 301 CG GLU A 19 7.047 3.721 8.827 1.00 14.12 C ATOM 302 CD GLU A 19 8.375 4.383 8.515 1.00 21.44 C ATOM 303 OE1 GLU A 19 8.403 5.624 8.385 1.00 20.41 O ATOM 304 OE2 GLU A 19 9.386 3.659 8.399 1.00 41.23 O ATOM 0 H GLU A 19 4.838 1.837 9.324 1.00 75.13 H new ATOM 0 HA GLU A 19 4.832 3.784 11.497 1.00 55.21 H new ATOM 0 HB2 GLU A 19 6.410 5.254 10.175 1.00 14.21 H new ATOM 0 HB3 GLU A 19 7.157 3.875 10.957 1.00 14.21 H new ATOM 0 HG2 GLU A 19 7.177 2.639 8.835 1.00 14.12 H new ATOM 0 HG3 GLU A 19 6.335 3.951 8.034 1.00 14.12 H new ATOM 309 N THR A 20 3.703 5.493 9.886 1.00 73.44 N ATOM 310 CA THR A 20 2.717 6.238 9.116 1.00 54.41 C ATOM 311 C THR A 20 3.390 7.213 8.156 1.00 2.14 C ATOM 312 O THR A 20 4.572 7.523 8.298 1.00 43.14 O ATOM 313 CB THR A 20 1.761 7.021 10.037 1.00 44.10 C ATOM 314 OG1 THR A 20 2.494 7.619 11.111 1.00 72.31 O ATOM 315 CG2 THR A 20 0.683 6.106 10.601 1.00 22.51 C ATOM 0 H THR A 20 4.097 6.006 10.675 1.00 73.44 H new ATOM 0 HA THR A 20 2.144 5.507 8.545 1.00 54.41 H new ATOM 0 HB THR A 20 1.282 7.802 9.446 1.00 44.10 H new ATOM 0 HG1 THR A 20 2.069 8.464 11.366 1.00 72.31 H new ATOM 0 HG21 THR A 20 0.020 6.680 11.248 1.00 22.51 H new ATOM 0 HG22 THR A 20 0.107 5.675 9.782 1.00 22.51 H new ATOM 0 HG23 THR A 20 1.149 5.307 11.177 1.00 22.51 H new ATOM 323 N PHE A 21 2.628 7.693 7.180 1.00 34.54 N ATOM 324 CA PHE A 21 3.151 8.634 6.194 1.00 40.31 C ATOM 325 C PHE A 21 2.212 9.826 6.028 1.00 62.53 C ATOM 326 O PHE A 21 0.992 9.678 6.073 1.00 35.03 O ATOM 327 CB PHE A 21 3.352 7.936 4.848 1.00 22.23 C ATOM 328 CG PHE A 21 4.482 8.506 4.040 1.00 23.42 C ATOM 329 CD1 PHE A 21 5.796 8.187 4.340 1.00 13.11 C ATOM 330 CD2 PHE A 21 4.230 9.361 2.978 1.00 45.23 C ATOM 331 CE1 PHE A 21 6.839 8.710 3.598 1.00 12.11 C ATOM 332 CE2 PHE A 21 5.267 9.886 2.232 1.00 55.44 C ATOM 333 CZ PHE A 21 6.573 9.562 2.543 1.00 61.34 C ATOM 0 H PHE A 21 1.647 7.447 7.049 1.00 34.54 H new ATOM 0 HA PHE A 21 4.113 9.000 6.552 1.00 40.31 H new ATOM 0 HB2 PHE A 21 3.539 6.876 5.022 1.00 22.23 H new ATOM 0 HB3 PHE A 21 2.431 8.007 4.270 1.00 22.23 H new ATOM 0 HD1 PHE A 21 6.009 7.522 5.164 1.00 13.11 H new ATOM 0 HD2 PHE A 21 3.211 9.619 2.731 1.00 45.23 H new ATOM 0 HE1 PHE A 21 7.859 8.453 3.842 1.00 12.11 H new ATOM 0 HE2 PHE A 21 5.057 10.549 1.406 1.00 55.44 H new ATOM 0 HZ PHE A 21 7.385 9.974 1.963 1.00 61.34 H new ATOM 342 N ASN A 22 2.793 11.006 5.834 1.00 5.40 N ATOM 343 CA ASN A 22 2.009 12.223 5.661 1.00 42.54 C ATOM 344 C ASN A 22 2.395 12.940 4.371 1.00 42.13 C ATOM 345 O ASN A 22 3.453 12.683 3.799 1.00 53.13 O ATOM 346 CB ASN A 22 2.210 13.158 6.857 1.00 65.24 C ATOM 347 CG ASN A 22 1.084 14.163 7.000 1.00 32.21 C ATOM 348 OD1 ASN A 22 -0.046 13.910 6.584 1.00 62.03 O ATOM 349 ND2 ASN A 22 1.390 15.313 7.591 1.00 22.40 N ATOM 0 H ASN A 22 3.803 11.145 5.793 1.00 5.40 H new ATOM 0 HA ASN A 22 0.957 11.943 5.599 1.00 42.54 H new ATOM 0 HB2 ASN A 22 2.283 12.566 7.769 1.00 65.24 H new ATOM 0 HB3 ASN A 22 3.155 13.689 6.745 1.00 65.24 H new ATOM 0 HD21 ASN A 22 0.674 16.029 7.715 1.00 22.40 H new ATOM 0 HD22 ASN A 22 2.341 15.480 7.921 1.00 22.40 H new ATOM 355 N GLY A 23 1.527 13.840 3.919 1.00 73.21 N ATOM 356 CA GLY A 23 1.795 14.581 2.699 1.00 41.22 C ATOM 357 C GLY A 23 0.669 14.464 1.692 1.00 23.44 C ATOM 358 O GLY A 23 0.066 15.466 1.306 1.00 22.14 O ATOM 0 H GLY A 23 0.644 14.069 4.375 1.00 73.21 H new ATOM 0 HA2 GLY A 23 1.953 15.632 2.943 1.00 41.22 H new ATOM 0 HA3 GLY A 23 2.719 14.215 2.251 1.00 41.22 H new ATOM 362 N ILE A 24 0.386 13.239 1.263 1.00 23.22 N ATOM 363 CA ILE A 24 -0.675 12.995 0.292 1.00 53.31 C ATOM 364 C ILE A 24 -1.811 12.188 0.911 1.00 53.30 C ATOM 365 O ILE A 24 -1.594 11.387 1.820 1.00 42.50 O ATOM 366 CB ILE A 24 -0.145 12.249 -0.946 1.00 60.04 C ATOM 367 CG1 ILE A 24 -1.183 12.278 -2.069 1.00 22.22 C ATOM 368 CG2 ILE A 24 0.215 10.815 -0.586 1.00 4.21 C ATOM 369 CD1 ILE A 24 -0.601 12.624 -3.422 1.00 2.30 C ATOM 0 H ILE A 24 0.876 12.400 1.572 1.00 23.22 H new ATOM 0 HA ILE A 24 -1.051 13.970 -0.016 1.00 53.31 H new ATOM 0 HB ILE A 24 0.756 12.752 -1.297 1.00 60.04 H new ATOM 0 HG12 ILE A 24 -1.668 11.304 -2.130 1.00 22.22 H new ATOM 0 HG13 ILE A 24 -1.957 13.004 -1.819 1.00 22.22 H new ATOM 0 HG21 ILE A 24 0.588 10.300 -1.471 1.00 4.21 H new ATOM 0 HG22 ILE A 24 0.986 10.816 0.185 1.00 4.21 H new ATOM 0 HG23 ILE A 24 -0.671 10.300 -0.213 1.00 4.21 H new ATOM 0 HD11 ILE A 24 -1.394 12.626 -4.170 1.00 2.30 H new ATOM 0 HD12 ILE A 24 -0.141 13.611 -3.379 1.00 2.30 H new ATOM 0 HD13 ILE A 24 0.152 11.884 -3.694 1.00 2.30 H new ATOM 380 N SER A 25 -3.023 12.404 0.411 1.00 13.32 N ATOM 381 CA SER A 25 -4.195 11.698 0.916 1.00 31.44 C ATOM 382 C SER A 25 -4.836 10.855 -0.183 1.00 4.44 C ATOM 383 O SER A 25 -6.037 10.954 -0.438 1.00 70.14 O ATOM 384 CB SER A 25 -5.216 12.693 1.471 1.00 51.02 C ATOM 385 OG SER A 25 -5.248 13.878 0.696 1.00 31.31 O ATOM 0 H SER A 25 -3.219 13.062 -0.343 1.00 13.32 H new ATOM 0 HA SER A 25 -3.872 11.034 1.718 1.00 31.44 H new ATOM 0 HB2 SER A 25 -6.205 12.235 1.482 1.00 51.02 H new ATOM 0 HB3 SER A 25 -4.966 12.937 2.504 1.00 51.02 H new ATOM 0 HG SER A 25 -5.910 14.496 1.071 1.00 31.31 H new ATOM 390 N LYS A 26 -4.026 10.024 -0.830 1.00 3.22 N ATOM 391 CA LYS A 26 -4.511 9.161 -1.900 1.00 4.03 C ATOM 392 C LYS A 26 -3.751 7.839 -1.920 1.00 3.42 C ATOM 393 O LYS A 26 -2.681 7.718 -1.323 1.00 34.22 O ATOM 394 CB LYS A 26 -4.371 9.863 -3.253 1.00 42.21 C ATOM 395 CG LYS A 26 -5.552 9.636 -4.181 1.00 72.33 C ATOM 396 CD LYS A 26 -6.608 10.717 -4.014 1.00 64.41 C ATOM 397 CE LYS A 26 -6.135 12.048 -4.577 1.00 14.33 C ATOM 398 NZ LYS A 26 -7.275 12.961 -4.870 1.00 75.15 N ATOM 0 H LYS A 26 -3.030 9.930 -0.632 1.00 3.22 H new ATOM 0 HA LYS A 26 -5.564 8.951 -1.714 1.00 4.03 H new ATOM 0 HB2 LYS A 26 -4.251 10.934 -3.087 1.00 42.21 H new ATOM 0 HB3 LYS A 26 -3.462 9.512 -3.742 1.00 42.21 H new ATOM 0 HG2 LYS A 26 -5.206 9.620 -5.215 1.00 72.33 H new ATOM 0 HG3 LYS A 26 -5.993 8.660 -3.978 1.00 72.33 H new ATOM 0 HD2 LYS A 26 -7.525 10.413 -4.518 1.00 64.41 H new ATOM 0 HD3 LYS A 26 -6.849 10.832 -2.957 1.00 64.41 H new ATOM 0 HE2 LYS A 26 -5.461 12.525 -3.865 1.00 14.33 H new ATOM 0 HE3 LYS A 26 -5.564 11.875 -5.489 1.00 14.33 H new ATOM 0 HZ1 LYS A 26 -6.912 13.858 -5.252 1.00 75.15 H new ATOM 0 HZ2 LYS A 26 -7.905 12.517 -5.568 1.00 75.15 H new ATOM 0 HZ3 LYS A 26 -7.805 13.147 -3.995 1.00 75.15 H new ATOM 408 N ILE A 27 -4.309 6.850 -2.611 1.00 1.44 N ATOM 409 CA ILE A 27 -3.682 5.539 -2.711 1.00 40.35 C ATOM 410 C ILE A 27 -2.635 5.512 -3.819 1.00 72.12 C ATOM 411 O ILE A 27 -1.671 4.749 -3.760 1.00 2.23 O ATOM 412 CB ILE A 27 -4.723 4.435 -2.976 1.00 70.33 C ATOM 413 CG1 ILE A 27 -5.601 4.224 -1.742 1.00 52.32 C ATOM 414 CG2 ILE A 27 -4.030 3.138 -3.368 1.00 1.13 C ATOM 415 CD1 ILE A 27 -4.837 3.733 -0.532 1.00 62.53 C ATOM 0 H ILE A 27 -5.195 6.933 -3.110 1.00 1.44 H new ATOM 0 HA ILE A 27 -3.198 5.348 -1.753 1.00 40.35 H new ATOM 0 HB ILE A 27 -5.361 4.748 -3.802 1.00 70.33 H new ATOM 0 HG12 ILE A 27 -6.095 5.163 -1.493 1.00 52.32 H new ATOM 0 HG13 ILE A 27 -6.385 3.506 -1.983 1.00 52.32 H new ATOM 0 HG21 ILE A 27 -4.778 2.367 -3.552 1.00 1.13 H new ATOM 0 HG22 ILE A 27 -3.443 3.298 -4.273 1.00 1.13 H new ATOM 0 HG23 ILE A 27 -3.371 2.819 -2.560 1.00 1.13 H new ATOM 0 HD11 ILE A 27 -5.524 3.606 0.305 1.00 62.53 H new ATOM 0 HD12 ILE A 27 -4.365 2.778 -0.763 1.00 62.53 H new ATOM 0 HD13 ILE A 27 -4.071 4.461 -0.265 1.00 62.53 H new ATOM 426 N SER A 28 -2.830 6.354 -4.829 1.00 73.02 N ATOM 427 CA SER A 28 -1.905 6.426 -5.953 1.00 74.54 C ATOM 428 C SER A 28 -0.498 6.780 -5.477 1.00 3.34 C ATOM 429 O SER A 28 0.463 6.070 -5.768 1.00 61.45 O ATOM 430 CB SER A 28 -2.385 7.463 -6.971 1.00 25.32 C ATOM 431 OG SER A 28 -2.020 7.089 -8.289 1.00 32.24 O ATOM 0 H SER A 28 -3.620 6.996 -4.891 1.00 73.02 H new ATOM 0 HA SER A 28 -1.874 5.446 -6.429 1.00 74.54 H new ATOM 0 HB2 SER A 28 -3.468 7.567 -6.906 1.00 25.32 H new ATOM 0 HB3 SER A 28 -1.956 8.436 -6.734 1.00 25.32 H new ATOM 0 HG SER A 28 -2.339 7.766 -8.921 1.00 32.24 H new ATOM 436 N GLU A 29 -0.388 7.883 -4.743 1.00 23.44 N ATOM 437 CA GLU A 29 0.900 8.332 -4.227 1.00 23.43 C ATOM 438 C GLU A 29 1.346 7.467 -3.052 1.00 43.30 C ATOM 439 O GLU A 29 2.529 7.159 -2.906 1.00 21.33 O ATOM 440 CB GLU A 29 0.818 9.797 -3.795 1.00 70.42 C ATOM 441 CG GLU A 29 2.143 10.363 -3.311 1.00 2.42 C ATOM 442 CD GLU A 29 3.060 10.759 -4.452 1.00 71.25 C ATOM 443 OE1 GLU A 29 2.933 11.898 -4.947 1.00 41.44 O ATOM 444 OE2 GLU A 29 3.905 9.929 -4.849 1.00 32.54 O ATOM 0 H GLU A 29 -1.175 8.482 -4.492 1.00 23.44 H new ATOM 0 HA GLU A 29 1.636 8.237 -5.025 1.00 23.43 H new ATOM 0 HB2 GLU A 29 0.461 10.395 -4.634 1.00 70.42 H new ATOM 0 HB3 GLU A 29 0.079 9.892 -2.999 1.00 70.42 H new ATOM 0 HG2 GLU A 29 1.954 11.234 -2.683 1.00 2.42 H new ATOM 0 HG3 GLU A 29 2.644 9.623 -2.687 1.00 2.42 H new ATOM 449 N LEU A 30 0.390 7.080 -2.214 1.00 63.23 N ATOM 450 CA LEU A 30 0.683 6.251 -1.050 1.00 41.31 C ATOM 451 C LEU A 30 1.414 4.976 -1.458 1.00 22.42 C ATOM 452 O LEU A 30 2.472 4.652 -0.916 1.00 13.33 O ATOM 453 CB LEU A 30 -0.611 5.896 -0.313 1.00 60.32 C ATOM 454 CG LEU A 30 -0.535 4.702 0.638 1.00 0.32 C ATOM 455 CD1 LEU A 30 0.667 4.829 1.561 1.00 15.23 C ATOM 456 CD2 LEU A 30 -1.819 4.581 1.445 1.00 5.41 C ATOM 0 H LEU A 30 -0.594 7.327 -2.319 1.00 63.23 H new ATOM 0 HA LEU A 30 1.330 6.821 -0.383 1.00 41.31 H new ATOM 0 HB2 LEU A 30 -0.933 6.768 0.256 1.00 60.32 H new ATOM 0 HB3 LEU A 30 -1.385 5.696 -1.054 1.00 60.32 H new ATOM 0 HG LEU A 30 -0.416 3.796 0.044 1.00 0.32 H new ATOM 0 HD11 LEU A 30 0.704 3.970 2.231 1.00 15.23 H new ATOM 0 HD12 LEU A 30 1.580 4.865 0.967 1.00 15.23 H new ATOM 0 HD13 LEU A 30 0.580 5.743 2.148 1.00 15.23 H new ATOM 0 HD21 LEU A 30 -1.747 3.726 2.117 1.00 5.41 H new ATOM 0 HD22 LEU A 30 -1.969 5.489 2.029 1.00 5.41 H new ATOM 0 HD23 LEU A 30 -2.662 4.441 0.768 1.00 5.41 H new ATOM 467 N LEU A 31 0.846 4.257 -2.420 1.00 62.42 N ATOM 468 CA LEU A 31 1.445 3.019 -2.905 1.00 40.04 C ATOM 469 C LEU A 31 2.682 3.306 -3.750 1.00 63.03 C ATOM 470 O LEU A 31 3.727 2.682 -3.569 1.00 51.11 O ATOM 471 CB LEU A 31 0.427 2.222 -3.724 1.00 74.34 C ATOM 472 CG LEU A 31 -0.588 1.407 -2.923 1.00 21.25 C ATOM 473 CD1 LEU A 31 -1.527 0.658 -3.857 1.00 75.20 C ATOM 474 CD2 LEU A 31 0.123 0.439 -1.989 1.00 71.51 C ATOM 0 H LEU A 31 -0.029 4.510 -2.879 1.00 62.42 H new ATOM 0 HA LEU A 31 1.748 2.429 -2.040 1.00 40.04 H new ATOM 0 HB2 LEU A 31 -0.118 2.916 -4.364 1.00 74.34 H new ATOM 0 HB3 LEU A 31 0.971 1.543 -4.381 1.00 74.34 H new ATOM 0 HG LEU A 31 -1.181 2.093 -2.319 1.00 21.25 H new ATOM 0 HD11 LEU A 31 -2.243 0.083 -3.269 1.00 75.20 H new ATOM 0 HD12 LEU A 31 -2.062 1.371 -4.484 1.00 75.20 H new ATOM 0 HD13 LEU A 31 -0.950 -0.018 -4.488 1.00 75.20 H new ATOM 0 HD21 LEU A 31 -0.615 -0.133 -1.427 1.00 71.51 H new ATOM 0 HD22 LEU A 31 0.741 -0.242 -2.573 1.00 71.51 H new ATOM 0 HD23 LEU A 31 0.753 0.998 -1.297 1.00 71.51 H new ATOM 485 N GLU A 32 2.555 4.255 -4.673 1.00 51.52 N ATOM 486 CA GLU A 32 3.664 4.625 -5.544 1.00 53.23 C ATOM 487 C GLU A 32 4.906 4.970 -4.728 1.00 54.20 C ATOM 488 O GLU A 32 6.029 4.660 -5.126 1.00 72.04 O ATOM 489 CB GLU A 32 3.273 5.813 -6.426 1.00 64.23 C ATOM 490 CG GLU A 32 4.350 6.213 -7.420 1.00 41.04 C ATOM 491 CD GLU A 32 4.221 7.653 -7.873 1.00 35.44 C ATOM 492 OE1 GLU A 32 3.177 7.997 -8.467 1.00 14.42 O ATOM 493 OE2 GLU A 32 5.162 8.438 -7.634 1.00 65.15 O ATOM 0 H GLU A 32 1.696 4.781 -4.836 1.00 51.52 H new ATOM 0 HA GLU A 32 3.895 3.770 -6.179 1.00 53.23 H new ATOM 0 HB2 GLU A 32 2.362 5.566 -6.970 1.00 64.23 H new ATOM 0 HB3 GLU A 32 3.043 6.667 -5.789 1.00 64.23 H new ATOM 0 HG2 GLU A 32 5.330 6.065 -6.967 1.00 41.04 H new ATOM 0 HG3 GLU A 32 4.299 5.557 -8.289 1.00 41.04 H new ATOM 498 N ARG A 33 4.695 5.614 -3.585 1.00 51.21 N ATOM 499 CA ARG A 33 5.797 6.004 -2.713 1.00 45.20 C ATOM 500 C ARG A 33 6.422 4.780 -2.047 1.00 12.04 C ATOM 501 O ARG A 33 7.639 4.595 -2.082 1.00 32.40 O ATOM 502 CB ARG A 33 5.309 6.984 -1.645 1.00 21.12 C ATOM 503 CG ARG A 33 6.416 7.502 -0.742 1.00 42.30 C ATOM 504 CD ARG A 33 7.075 8.743 -1.324 1.00 50.34 C ATOM 505 NE ARG A 33 8.314 9.081 -0.628 1.00 72.23 N ATOM 506 CZ ARG A 33 9.146 10.036 -1.031 1.00 43.23 C ATOM 507 NH1 ARG A 33 8.872 10.742 -2.119 1.00 13.33 N ATOM 508 NH2 ARG A 33 10.253 10.285 -0.345 1.00 61.52 N ATOM 0 H ARG A 33 3.771 5.877 -3.241 1.00 51.21 H new ATOM 0 HA ARG A 33 6.556 6.492 -3.325 1.00 45.20 H new ATOM 0 HB2 ARG A 33 4.825 7.830 -2.134 1.00 21.12 H new ATOM 0 HB3 ARG A 33 4.552 6.494 -1.033 1.00 21.12 H new ATOM 0 HG2 ARG A 33 6.007 7.733 0.241 1.00 42.30 H new ATOM 0 HG3 ARG A 33 7.165 6.723 -0.600 1.00 42.30 H new ATOM 0 HD2 ARG A 33 7.286 8.580 -2.381 1.00 50.34 H new ATOM 0 HD3 ARG A 33 6.384 9.583 -1.263 1.00 50.34 H new ATOM 0 HE ARG A 33 8.554 8.556 0.213 1.00 72.23 H new ATOM 0 HH11 ARG A 33 8.021 10.553 -2.649 1.00 13.33 H new ATOM 0 HH12 ARG A 33 9.512 11.474 -2.426 1.00 13.33 H new ATOM 0 HH21 ARG A 33 10.467 9.744 0.493 1.00 61.52 H new ATOM 0 HH22 ARG A 33 10.891 11.018 -0.655 1.00 61.52 H new ATOM 519 N LEU A 34 5.581 3.949 -1.440 1.00 72.53 N ATOM 520 CA LEU A 34 6.051 2.744 -0.766 1.00 31.14 C ATOM 521 C LEU A 34 6.709 1.788 -1.756 1.00 53.14 C ATOM 522 O LEU A 34 7.621 1.040 -1.400 1.00 2.22 O ATOM 523 CB LEU A 34 4.887 2.044 -0.061 1.00 33.32 C ATOM 524 CG LEU A 34 4.639 2.454 1.391 1.00 1.42 C ATOM 525 CD1 LEU A 34 5.753 1.940 2.288 1.00 52.14 C ATOM 526 CD2 LEU A 34 4.513 3.965 1.505 1.00 35.23 C ATOM 0 H LEU A 34 4.571 4.088 -1.401 1.00 72.53 H new ATOM 0 HA LEU A 34 6.794 3.038 -0.024 1.00 31.14 H new ATOM 0 HB2 LEU A 34 3.977 2.232 -0.631 1.00 33.32 H new ATOM 0 HB3 LEU A 34 5.065 0.969 -0.089 1.00 33.32 H new ATOM 0 HG LEU A 34 3.701 2.007 1.719 1.00 1.42 H new ATOM 0 HD11 LEU A 34 5.560 2.241 3.317 1.00 52.14 H new ATOM 0 HD12 LEU A 34 5.794 0.852 2.230 1.00 52.14 H new ATOM 0 HD13 LEU A 34 6.705 2.357 1.961 1.00 52.14 H new ATOM 0 HD21 LEU A 34 4.337 4.238 2.545 1.00 35.23 H new ATOM 0 HD22 LEU A 34 5.434 4.434 1.158 1.00 35.23 H new ATOM 0 HD23 LEU A 34 3.678 4.308 0.894 1.00 35.23 H new ATOM 537 N LYS A 35 6.245 1.819 -3.000 1.00 4.44 N ATOM 538 CA LYS A 35 6.789 0.958 -4.043 1.00 70.23 C ATOM 539 C LYS A 35 8.309 1.080 -4.109 1.00 25.33 C ATOM 540 O LYS A 35 9.022 0.077 -4.120 1.00 51.32 O ATOM 541 CB LYS A 35 6.178 1.316 -5.400 1.00 41.52 C ATOM 542 CG LYS A 35 6.919 0.710 -6.578 1.00 23.34 C ATOM 543 CD LYS A 35 6.005 0.534 -7.779 1.00 24.13 C ATOM 544 CE LYS A 35 6.591 -0.444 -8.788 1.00 14.12 C ATOM 545 NZ LYS A 35 6.145 -0.141 -10.176 1.00 25.34 N ATOM 0 H LYS A 35 5.492 2.432 -3.311 1.00 4.44 H new ATOM 0 HA LYS A 35 6.534 -0.073 -3.799 1.00 70.23 H new ATOM 0 HB2 LYS A 35 5.141 0.981 -5.422 1.00 41.52 H new ATOM 0 HB3 LYS A 35 6.165 2.400 -5.509 1.00 41.52 H new ATOM 0 HG2 LYS A 35 7.759 1.350 -6.849 1.00 23.34 H new ATOM 0 HG3 LYS A 35 7.334 -0.256 -6.290 1.00 23.34 H new ATOM 0 HD2 LYS A 35 5.031 0.175 -7.447 1.00 24.13 H new ATOM 0 HD3 LYS A 35 5.843 1.499 -8.258 1.00 24.13 H new ATOM 0 HE2 LYS A 35 7.679 -0.407 -8.740 1.00 14.12 H new ATOM 0 HE3 LYS A 35 6.294 -1.459 -8.524 1.00 14.12 H new ATOM 0 HZ1 LYS A 35 6.565 -0.829 -10.834 1.00 25.34 H new ATOM 0 HZ2 LYS A 35 5.108 -0.201 -10.228 1.00 25.34 H new ATOM 0 HZ3 LYS A 35 6.450 0.818 -10.437 1.00 25.34 H new ATOM 555 N VAL A 36 8.797 2.316 -4.154 1.00 61.21 N ATOM 556 CA VAL A 36 10.231 2.569 -4.218 1.00 42.25 C ATOM 557 C VAL A 36 10.887 2.362 -2.856 1.00 45.21 C ATOM 558 O VAL A 36 12.018 1.884 -2.767 1.00 23.24 O ATOM 559 CB VAL A 36 10.528 3.999 -4.706 1.00 43.24 C ATOM 560 CG1 VAL A 36 12.028 4.218 -4.837 1.00 13.21 C ATOM 561 CG2 VAL A 36 9.825 4.267 -6.027 1.00 42.41 C ATOM 0 H VAL A 36 8.220 3.157 -4.147 1.00 61.21 H new ATOM 0 HA VAL A 36 10.646 1.857 -4.931 1.00 42.25 H new ATOM 0 HB VAL A 36 10.145 4.703 -3.967 1.00 43.24 H new ATOM 0 HG11 VAL A 36 12.219 5.234 -5.183 1.00 13.21 H new ATOM 0 HG12 VAL A 36 12.503 4.070 -3.867 1.00 13.21 H new ATOM 0 HG13 VAL A 36 12.438 3.507 -5.555 1.00 13.21 H new ATOM 0 HG21 VAL A 36 10.046 5.282 -6.357 1.00 42.41 H new ATOM 0 HG22 VAL A 36 10.176 3.557 -6.776 1.00 42.41 H new ATOM 0 HG23 VAL A 36 8.749 4.154 -5.896 1.00 42.41 H new ATOM 571 N GLU A 37 10.168 2.724 -1.798 1.00 4.10 N ATOM 572 CA GLU A 37 10.680 2.577 -0.441 1.00 51.02 C ATOM 573 C GLU A 37 11.199 1.162 -0.205 1.00 41.22 C ATOM 574 O GLU A 37 12.323 0.971 0.260 1.00 43.00 O ATOM 575 CB GLU A 37 9.588 2.909 0.579 1.00 42.20 C ATOM 576 CG GLU A 37 9.341 4.398 0.743 1.00 34.12 C ATOM 577 CD GLU A 37 8.437 4.714 1.919 1.00 62.13 C ATOM 578 OE1 GLU A 37 8.220 3.814 2.759 1.00 13.25 O ATOM 579 OE2 GLU A 37 7.947 5.859 2.000 1.00 54.53 O ATOM 0 H GLU A 37 9.230 3.121 -1.855 1.00 4.10 H new ATOM 0 HA GLU A 37 11.508 3.274 -0.315 1.00 51.02 H new ATOM 0 HB2 GLU A 37 8.659 2.427 0.274 1.00 42.20 H new ATOM 0 HB3 GLU A 37 9.864 2.487 1.545 1.00 42.20 H new ATOM 0 HG2 GLU A 37 10.295 4.908 0.876 1.00 34.12 H new ATOM 0 HG3 GLU A 37 8.894 4.791 -0.170 1.00 34.12 H new ATOM 584 N TYR A 38 10.373 0.173 -0.528 1.00 12.34 N ATOM 585 CA TYR A 38 10.747 -1.224 -0.349 1.00 2.34 C ATOM 586 C TYR A 38 11.373 -1.789 -1.621 1.00 54.52 C ATOM 587 O TYR A 38 12.319 -2.573 -1.565 1.00 31.30 O ATOM 588 CB TYR A 38 9.522 -2.055 0.042 1.00 62.23 C ATOM 589 CG TYR A 38 8.819 -1.551 1.281 1.00 75.42 C ATOM 590 CD1 TYR A 38 9.541 -1.084 2.373 1.00 1.21 C ATOM 591 CD2 TYR A 38 7.432 -1.539 1.360 1.00 13.13 C ATOM 592 CE1 TYR A 38 8.902 -0.623 3.508 1.00 61.21 C ATOM 593 CE2 TYR A 38 6.784 -1.078 2.490 1.00 15.13 C ATOM 594 CZ TYR A 38 7.524 -0.622 3.561 1.00 3.54 C ATOM 595 OH TYR A 38 6.883 -0.162 4.689 1.00 72.44 O ATOM 0 H TYR A 38 9.440 0.313 -0.915 1.00 12.34 H new ATOM 0 HA TYR A 38 11.485 -1.276 0.451 1.00 2.34 H new ATOM 0 HB2 TYR A 38 8.817 -2.060 -0.789 1.00 62.23 H new ATOM 0 HB3 TYR A 38 9.831 -3.088 0.204 1.00 62.23 H new ATOM 0 HD1 TYR A 38 10.620 -1.081 2.334 1.00 1.21 H new ATOM 0 HD2 TYR A 38 6.850 -1.896 0.523 1.00 13.13 H new ATOM 0 HE1 TYR A 38 9.478 -0.266 4.349 1.00 61.21 H new ATOM 0 HE2 TYR A 38 5.705 -1.075 2.534 1.00 15.13 H new ATOM 0 HH TYR A 38 7.433 0.525 5.120 1.00 72.44 H new ATOM 604 N GLY A 39 10.837 -1.381 -2.768 1.00 41.05 N ATOM 605 CA GLY A 39 11.356 -1.854 -4.038 1.00 21.10 C ATOM 606 C GLY A 39 10.292 -2.528 -4.882 1.00 62.33 C ATOM 607 O GLY A 39 9.107 -2.481 -4.555 1.00 73.33 O ATOM 0 H GLY A 39 10.053 -0.732 -2.840 1.00 41.05 H new ATOM 0 HA2 GLY A 39 11.777 -1.014 -4.591 1.00 21.10 H new ATOM 0 HA3 GLY A 39 12.170 -2.556 -3.856 1.00 21.10 H new ATOM 611 N SER A 40 10.717 -3.158 -5.974 1.00 73.13 N ATOM 612 CA SER A 40 9.793 -3.840 -6.871 1.00 63.33 C ATOM 613 C SER A 40 9.192 -5.071 -6.200 1.00 0.42 C ATOM 614 O SER A 40 8.046 -5.434 -6.459 1.00 1.22 O ATOM 615 CB SER A 40 10.508 -4.247 -8.161 1.00 40.11 C ATOM 616 OG SER A 40 10.992 -3.111 -8.856 1.00 10.11 O ATOM 0 H SER A 40 11.695 -3.209 -6.258 1.00 73.13 H new ATOM 0 HA SER A 40 8.985 -3.149 -7.113 1.00 63.33 H new ATOM 0 HB2 SER A 40 11.337 -4.914 -7.926 1.00 40.11 H new ATOM 0 HB3 SER A 40 9.823 -4.804 -8.800 1.00 40.11 H new ATOM 0 HG SER A 40 11.446 -3.398 -9.676 1.00 10.11 H new ATOM 621 N GLU A 41 9.976 -5.708 -5.335 1.00 75.43 N ATOM 622 CA GLU A 41 9.523 -6.898 -4.627 1.00 3.34 C ATOM 623 C GLU A 41 8.189 -6.642 -3.930 1.00 74.32 C ATOM 624 O GLU A 41 7.298 -7.492 -3.938 1.00 55.00 O ATOM 625 CB GLU A 41 10.569 -7.339 -3.602 1.00 44.35 C ATOM 626 CG GLU A 41 11.965 -7.489 -4.183 1.00 55.53 C ATOM 627 CD GLU A 41 12.820 -8.469 -3.403 1.00 23.21 C ATOM 628 OE1 GLU A 41 13.053 -8.227 -2.201 1.00 3.30 O ATOM 629 OE2 GLU A 41 13.255 -9.477 -3.997 1.00 65.22 O ATOM 0 H GLU A 41 10.928 -5.419 -5.108 1.00 75.43 H new ATOM 0 HA GLU A 41 9.385 -7.694 -5.359 1.00 3.34 H new ATOM 0 HB2 GLU A 41 10.599 -6.612 -2.790 1.00 44.35 H new ATOM 0 HB3 GLU A 41 10.261 -8.290 -3.168 1.00 44.35 H new ATOM 0 HG2 GLU A 41 11.890 -7.822 -5.218 1.00 55.53 H new ATOM 0 HG3 GLU A 41 12.455 -6.516 -4.196 1.00 55.53 H new ATOM 634 N PHE A 42 8.059 -5.464 -3.329 1.00 54.44 N ATOM 635 CA PHE A 42 6.837 -5.095 -2.626 1.00 1.42 C ATOM 636 C PHE A 42 5.658 -5.009 -3.592 1.00 74.12 C ATOM 637 O PHE A 42 4.617 -5.629 -3.378 1.00 1.41 O ATOM 638 CB PHE A 42 7.020 -3.757 -1.907 1.00 41.51 C ATOM 639 CG PHE A 42 5.726 -3.118 -1.490 1.00 50.54 C ATOM 640 CD1 PHE A 42 4.728 -3.871 -0.892 1.00 62.15 C ATOM 641 CD2 PHE A 42 5.508 -1.765 -1.693 1.00 61.53 C ATOM 642 CE1 PHE A 42 3.536 -3.286 -0.506 1.00 32.31 C ATOM 643 CE2 PHE A 42 4.320 -1.175 -1.310 1.00 2.42 C ATOM 644 CZ PHE A 42 3.331 -1.937 -0.716 1.00 75.12 C ATOM 0 H PHE A 42 8.786 -4.748 -3.315 1.00 54.44 H new ATOM 0 HA PHE A 42 6.625 -5.869 -1.889 1.00 1.42 H new ATOM 0 HB2 PHE A 42 7.641 -3.910 -1.025 1.00 41.51 H new ATOM 0 HB3 PHE A 42 7.559 -3.073 -2.562 1.00 41.51 H new ATOM 0 HD1 PHE A 42 4.883 -4.927 -0.726 1.00 62.15 H new ATOM 0 HD2 PHE A 42 6.277 -1.164 -2.156 1.00 61.53 H new ATOM 0 HE1 PHE A 42 2.766 -3.884 -0.041 1.00 32.31 H new ATOM 0 HE2 PHE A 42 4.163 -0.119 -1.474 1.00 2.42 H new ATOM 0 HZ PHE A 42 2.400 -1.478 -0.417 1.00 75.12 H new ATOM 653 N THR A 43 5.832 -4.233 -4.658 1.00 11.13 N ATOM 654 CA THR A 43 4.784 -4.062 -5.657 1.00 5.50 C ATOM 655 C THR A 43 4.349 -5.406 -6.232 1.00 52.41 C ATOM 656 O THR A 43 3.160 -5.650 -6.438 1.00 32.31 O ATOM 657 CB THR A 43 5.248 -3.151 -6.809 1.00 53.42 C ATOM 658 OG1 THR A 43 6.343 -2.336 -6.376 1.00 72.43 O ATOM 659 CG2 THR A 43 4.110 -2.265 -7.290 1.00 0.44 C ATOM 0 H THR A 43 6.688 -3.713 -4.851 1.00 11.13 H new ATOM 0 HA THR A 43 3.939 -3.594 -5.152 1.00 5.50 H new ATOM 0 HB THR A 43 5.570 -3.783 -7.637 1.00 53.42 H new ATOM 0 HG1 THR A 43 6.100 -1.876 -5.546 1.00 72.43 H new ATOM 0 HG21 THR A 43 4.462 -1.631 -8.104 1.00 0.44 H new ATOM 0 HG22 THR A 43 3.289 -2.888 -7.644 1.00 0.44 H new ATOM 0 HG23 THR A 43 3.762 -1.640 -6.467 1.00 0.44 H new ATOM 667 N LYS A 44 5.320 -6.277 -6.488 1.00 35.05 N ATOM 668 CA LYS A 44 5.037 -7.598 -7.038 1.00 53.12 C ATOM 669 C LYS A 44 4.448 -8.516 -5.972 1.00 72.20 C ATOM 670 O LYS A 44 3.713 -9.452 -6.285 1.00 41.11 O ATOM 671 CB LYS A 44 6.314 -8.217 -7.612 1.00 43.12 C ATOM 672 CG LYS A 44 6.895 -7.440 -8.780 1.00 30.10 C ATOM 673 CD LYS A 44 8.057 -8.181 -9.420 1.00 43.41 C ATOM 674 CE LYS A 44 9.263 -8.233 -8.493 1.00 5.35 C ATOM 675 NZ LYS A 44 10.403 -8.967 -9.107 1.00 61.43 N ATOM 0 H LYS A 44 6.309 -6.092 -6.323 1.00 35.05 H new ATOM 0 HA LYS A 44 4.305 -7.483 -7.837 1.00 53.12 H new ATOM 0 HB2 LYS A 44 7.062 -8.283 -6.822 1.00 43.12 H new ATOM 0 HB3 LYS A 44 6.100 -9.236 -7.935 1.00 43.12 H new ATOM 0 HG2 LYS A 44 6.118 -7.266 -9.525 1.00 30.10 H new ATOM 0 HG3 LYS A 44 7.231 -6.462 -8.436 1.00 30.10 H new ATOM 0 HD2 LYS A 44 7.748 -9.195 -9.674 1.00 43.41 H new ATOM 0 HD3 LYS A 44 8.334 -7.689 -10.352 1.00 43.41 H new ATOM 0 HE2 LYS A 44 9.575 -7.218 -8.246 1.00 5.35 H new ATOM 0 HE3 LYS A 44 8.981 -8.716 -7.558 1.00 5.35 H new ATOM 0 HZ1 LYS A 44 11.205 -8.980 -8.444 1.00 61.43 H new ATOM 0 HZ2 LYS A 44 10.113 -9.943 -9.320 1.00 61.43 H new ATOM 0 HZ3 LYS A 44 10.689 -8.491 -9.987 1.00 61.43 H new ATOM 685 N GLN A 45 4.776 -8.240 -4.713 1.00 20.45 N ATOM 686 CA GLN A 45 4.277 -9.042 -3.602 1.00 2.10 C ATOM 687 C GLN A 45 2.865 -8.617 -3.214 1.00 0.03 C ATOM 688 O GLN A 45 2.109 -9.398 -2.636 1.00 34.24 O ATOM 689 CB GLN A 45 5.210 -8.916 -2.396 1.00 3.14 C ATOM 690 CG GLN A 45 4.879 -9.879 -1.267 1.00 32.22 C ATOM 691 CD GLN A 45 5.726 -11.135 -1.305 1.00 3.21 C ATOM 692 OE1 GLN A 45 5.232 -12.221 -1.613 1.00 41.22 O ATOM 693 NE2 GLN A 45 7.008 -10.995 -0.990 1.00 21.31 N ATOM 0 H GLN A 45 5.384 -7.469 -4.438 1.00 20.45 H new ATOM 0 HA GLN A 45 4.247 -10.083 -3.923 1.00 2.10 H new ATOM 0 HB2 GLN A 45 6.236 -9.089 -2.721 1.00 3.14 H new ATOM 0 HB3 GLN A 45 5.164 -7.895 -2.017 1.00 3.14 H new ATOM 0 HG2 GLN A 45 5.024 -9.376 -0.311 1.00 32.22 H new ATOM 0 HG3 GLN A 45 3.826 -10.154 -1.326 1.00 32.22 H new ATOM 0 HE21 GLN A 45 7.375 -10.076 -0.741 1.00 21.31 H new ATOM 0 HE22 GLN A 45 7.626 -11.806 -0.997 1.00 21.31 H new ATOM 700 N MET A 46 2.516 -7.375 -3.535 1.00 62.53 N ATOM 701 CA MET A 46 1.195 -6.848 -3.221 1.00 10.43 C ATOM 702 C MET A 46 0.383 -6.618 -4.493 1.00 64.12 C ATOM 703 O MET A 46 -0.723 -6.082 -4.446 1.00 4.13 O ATOM 704 CB MET A 46 1.317 -5.539 -2.438 1.00 34.45 C ATOM 705 CG MET A 46 1.911 -4.399 -3.249 1.00 21.53 C ATOM 706 SD MET A 46 0.916 -2.898 -3.169 1.00 0.35 S ATOM 707 CE MET A 46 1.106 -2.275 -4.838 1.00 3.32 C ATOM 0 H MET A 46 3.131 -6.716 -4.012 1.00 62.53 H new ATOM 0 HA MET A 46 0.675 -7.584 -2.607 1.00 10.43 H new ATOM 0 HB2 MET A 46 0.330 -5.245 -2.082 1.00 34.45 H new ATOM 0 HB3 MET A 46 1.936 -5.708 -1.557 1.00 34.45 H new ATOM 0 HG2 MET A 46 2.916 -4.184 -2.885 1.00 21.53 H new ATOM 0 HG3 MET A 46 2.009 -4.710 -4.289 1.00 21.53 H new ATOM 0 HE1 MET A 46 1.830 -1.460 -4.842 1.00 3.32 H new ATOM 0 HE2 MET A 46 1.458 -3.076 -5.488 1.00 3.32 H new ATOM 0 HE3 MET A 46 0.146 -1.909 -5.201 1.00 3.32 H new ATOM 715 N TYR A 47 0.942 -7.028 -5.626 1.00 23.32 N ATOM 716 CA TYR A 47 0.272 -6.865 -6.911 1.00 3.44 C ATOM 717 C TYR A 47 1.094 -7.485 -8.037 1.00 0.13 C ATOM 718 O TYR A 47 2.124 -6.943 -8.440 1.00 45.43 O ATOM 719 CB TYR A 47 0.029 -5.382 -7.199 1.00 0.12 C ATOM 720 CG TYR A 47 -1.269 -5.111 -7.926 1.00 63.44 C ATOM 721 CD1 TYR A 47 -2.481 -5.556 -7.415 1.00 23.30 C ATOM 722 CD2 TYR A 47 -1.281 -4.409 -9.126 1.00 42.11 C ATOM 723 CE1 TYR A 47 -3.668 -5.312 -8.078 1.00 73.21 C ATOM 724 CE2 TYR A 47 -2.464 -4.158 -9.795 1.00 50.44 C ATOM 725 CZ TYR A 47 -3.654 -4.611 -9.267 1.00 5.11 C ATOM 726 OH TYR A 47 -4.836 -4.364 -9.929 1.00 62.44 O ATOM 0 H TYR A 47 1.857 -7.475 -5.681 1.00 23.32 H new ATOM 0 HA TYR A 47 -0.687 -7.380 -6.860 1.00 3.44 H new ATOM 0 HB2 TYR A 47 0.030 -4.833 -6.257 1.00 0.12 H new ATOM 0 HB3 TYR A 47 0.857 -4.996 -7.794 1.00 0.12 H new ATOM 0 HD1 TYR A 47 -2.496 -6.102 -6.483 1.00 23.30 H new ATOM 0 HD2 TYR A 47 -0.350 -4.054 -9.542 1.00 42.11 H new ATOM 0 HE1 TYR A 47 -4.602 -5.668 -7.668 1.00 73.21 H new ATOM 0 HE2 TYR A 47 -2.456 -3.610 -10.726 1.00 50.44 H new ATOM 0 HH TYR A 47 -5.228 -5.212 -10.226 1.00 62.44 H new ATOM 735 N ASP A 48 0.630 -8.623 -8.541 1.00 33.02 N ATOM 736 CA ASP A 48 1.320 -9.318 -9.622 1.00 12.33 C ATOM 737 C ASP A 48 0.588 -9.122 -10.947 1.00 60.14 C ATOM 738 O ASP A 48 -0.287 -9.907 -11.307 1.00 44.35 O ATOM 739 CB ASP A 48 1.437 -10.809 -9.306 1.00 63.24 C ATOM 740 CG ASP A 48 2.101 -11.588 -10.424 1.00 73.11 C ATOM 741 OD1 ASP A 48 3.216 -11.203 -10.833 1.00 44.33 O ATOM 742 OD2 ASP A 48 1.506 -12.582 -10.890 1.00 22.44 O ATOM 0 H ASP A 48 -0.221 -9.084 -8.219 1.00 33.02 H new ATOM 0 HA ASP A 48 2.320 -8.895 -9.713 1.00 12.33 H new ATOM 0 HB2 ASP A 48 2.009 -10.939 -8.387 1.00 63.24 H new ATOM 0 HB3 ASP A 48 0.443 -11.218 -9.123 1.00 63.24 H new ATOM 746 N GLY A 49 0.955 -8.067 -11.669 1.00 22.23 N ATOM 747 CA GLY A 49 0.323 -7.787 -12.945 1.00 73.35 C ATOM 748 C GLY A 49 -0.924 -6.939 -12.800 1.00 33.15 C ATOM 749 O GLY A 49 -0.852 -5.710 -12.799 1.00 42.10 O ATOM 0 H GLY A 49 1.678 -7.402 -11.393 1.00 22.23 H new ATOM 0 HA2 GLY A 49 1.033 -7.275 -13.594 1.00 73.35 H new ATOM 0 HA3 GLY A 49 0.065 -8.727 -13.433 1.00 73.35 H new ATOM 753 N ASN A 50 -2.074 -7.595 -12.680 1.00 63.34 N ATOM 754 CA ASN A 50 -3.344 -6.893 -12.537 1.00 41.21 C ATOM 755 C ASN A 50 -4.056 -7.312 -11.254 1.00 23.44 C ATOM 756 O ASN A 50 -5.098 -6.762 -10.902 1.00 33.32 O ATOM 757 CB ASN A 50 -4.242 -7.167 -13.746 1.00 41.33 C ATOM 758 CG ASN A 50 -5.455 -6.259 -13.782 1.00 32.43 C ATOM 759 OD1 ASN A 50 -6.590 -6.715 -13.646 1.00 34.24 O ATOM 760 ND2 ASN A 50 -5.220 -4.965 -13.969 1.00 51.24 N ATOM 0 H ASN A 50 -2.152 -8.612 -12.679 1.00 63.34 H new ATOM 0 HA ASN A 50 -3.136 -5.824 -12.483 1.00 41.21 H new ATOM 0 HB2 ASN A 50 -3.665 -7.035 -14.661 1.00 41.33 H new ATOM 0 HB3 ASN A 50 -4.570 -8.206 -13.724 1.00 41.33 H new ATOM 0 HD21 ASN A 50 -5.997 -4.305 -14.005 1.00 51.24 H new ATOM 0 HD22 ASN A 50 -4.262 -4.631 -14.077 1.00 51.24 H new ATOM 766 N ASN A 51 -3.485 -8.291 -10.560 1.00 63.33 N ATOM 767 CA ASN A 51 -4.065 -8.786 -9.316 1.00 20.50 C ATOM 768 C ASN A 51 -2.989 -9.389 -8.417 1.00 12.05 C ATOM 769 O ASN A 51 -1.884 -9.686 -8.868 1.00 60.55 O ATOM 770 CB ASN A 51 -5.143 -9.830 -9.612 1.00 31.04 C ATOM 771 CG ASN A 51 -6.335 -9.240 -10.341 1.00 63.23 C ATOM 772 OD1 ASN A 51 -6.466 -9.385 -11.557 1.00 65.11 O ATOM 773 ND2 ASN A 51 -7.211 -8.571 -9.600 1.00 64.43 N ATOM 0 H ASN A 51 -2.621 -8.757 -10.838 1.00 63.33 H new ATOM 0 HA ASN A 51 -4.519 -7.943 -8.794 1.00 20.50 H new ATOM 0 HB2 ASN A 51 -4.713 -10.631 -10.213 1.00 31.04 H new ATOM 0 HB3 ASN A 51 -5.478 -10.278 -8.676 1.00 31.04 H new ATOM 0 HD21 ASN A 51 -8.033 -8.152 -10.036 1.00 64.43 H new ATOM 0 HD22 ASN A 51 -7.062 -8.476 -8.595 1.00 64.43 H new ATOM 779 N LEU A 52 -3.323 -9.566 -7.144 1.00 14.20 N ATOM 780 CA LEU A 52 -2.387 -10.134 -6.180 1.00 35.10 C ATOM 781 C LEU A 52 -1.755 -11.412 -6.723 1.00 14.22 C ATOM 782 O LEU A 52 -2.275 -12.026 -7.654 1.00 60.54 O ATOM 783 CB LEU A 52 -3.100 -10.425 -4.858 1.00 53.12 C ATOM 784 CG LEU A 52 -3.813 -9.240 -4.204 1.00 65.21 C ATOM 785 CD1 LEU A 52 -3.146 -7.932 -4.601 1.00 4.32 C ATOM 786 CD2 LEU A 52 -5.286 -9.228 -4.585 1.00 44.12 C ATOM 0 H LEU A 52 -4.235 -9.325 -6.755 1.00 14.20 H new ATOM 0 HA LEU A 52 -1.595 -9.405 -6.006 1.00 35.10 H new ATOM 0 HB2 LEU A 52 -3.832 -11.214 -5.029 1.00 53.12 H new ATOM 0 HB3 LEU A 52 -2.368 -10.817 -4.152 1.00 53.12 H new ATOM 0 HG LEU A 52 -3.740 -9.347 -3.122 1.00 65.21 H new ATOM 0 HD11 LEU A 52 -3.666 -7.100 -4.127 1.00 4.32 H new ATOM 0 HD12 LEU A 52 -2.105 -7.941 -4.277 1.00 4.32 H new ATOM 0 HD13 LEU A 52 -3.188 -7.816 -5.684 1.00 4.32 H new ATOM 0 HD21 LEU A 52 -5.778 -8.378 -4.111 1.00 44.12 H new ATOM 0 HD22 LEU A 52 -5.381 -9.144 -5.668 1.00 44.12 H new ATOM 0 HD23 LEU A 52 -5.756 -10.153 -4.250 1.00 44.12 H new ATOM 797 N PHE A 53 -0.633 -11.808 -6.132 1.00 14.31 N ATOM 798 CA PHE A 53 0.070 -13.013 -6.554 1.00 1.14 C ATOM 799 C PHE A 53 -0.621 -14.263 -6.016 1.00 54.43 C ATOM 800 O PHE A 53 -1.145 -15.075 -6.779 1.00 54.20 O ATOM 801 CB PHE A 53 1.523 -12.976 -6.079 1.00 54.20 C ATOM 802 CG PHE A 53 2.262 -14.264 -6.302 1.00 3.24 C ATOM 803 CD1 PHE A 53 2.541 -14.704 -7.586 1.00 22.30 C ATOM 804 CD2 PHE A 53 2.675 -15.037 -5.229 1.00 33.44 C ATOM 805 CE1 PHE A 53 3.219 -15.890 -7.796 1.00 11.42 C ATOM 806 CE2 PHE A 53 3.354 -16.224 -5.431 1.00 20.43 C ATOM 807 CZ PHE A 53 3.628 -16.650 -6.717 1.00 1.34 C ATOM 0 H PHE A 53 -0.191 -11.311 -5.359 1.00 14.31 H new ATOM 0 HA PHE A 53 0.053 -13.050 -7.643 1.00 1.14 H new ATOM 0 HB2 PHE A 53 2.046 -12.173 -6.598 1.00 54.20 H new ATOM 0 HB3 PHE A 53 1.543 -12.735 -5.016 1.00 54.20 H new ATOM 0 HD1 PHE A 53 2.225 -14.113 -8.433 1.00 22.30 H new ATOM 0 HD2 PHE A 53 2.464 -14.708 -4.222 1.00 33.44 H new ATOM 0 HE1 PHE A 53 3.429 -16.222 -8.802 1.00 11.42 H new ATOM 0 HE2 PHE A 53 3.670 -16.817 -4.586 1.00 20.43 H new ATOM 0 HZ PHE A 53 4.161 -17.575 -6.878 1.00 1.34 H new ATOM 816 N LYS A 54 -0.618 -14.410 -4.695 1.00 61.11 N ATOM 817 CA LYS A 54 -1.244 -15.559 -4.052 1.00 20.22 C ATOM 818 C LYS A 54 -2.725 -15.296 -3.790 1.00 61.15 C ATOM 819 O LYS A 54 -3.587 -16.053 -4.235 1.00 55.23 O ATOM 820 CB LYS A 54 -0.532 -15.884 -2.737 1.00 3.45 C ATOM 821 CG LYS A 54 -1.097 -17.101 -2.025 1.00 12.22 C ATOM 822 CD LYS A 54 -0.184 -17.561 -0.900 1.00 23.15 C ATOM 823 CE LYS A 54 0.758 -18.663 -1.363 1.00 14.50 C ATOM 824 NZ LYS A 54 1.992 -18.110 -1.986 1.00 24.33 N ATOM 0 H LYS A 54 -0.189 -13.747 -4.049 1.00 61.11 H new ATOM 0 HA LYS A 54 -1.158 -16.412 -4.725 1.00 20.22 H new ATOM 0 HB2 LYS A 54 0.526 -16.050 -2.938 1.00 3.45 H new ATOM 0 HB3 LYS A 54 -0.600 -15.021 -2.074 1.00 3.45 H new ATOM 0 HG2 LYS A 54 -2.082 -16.864 -1.622 1.00 12.22 H new ATOM 0 HG3 LYS A 54 -1.232 -17.912 -2.740 1.00 12.22 H new ATOM 0 HD2 LYS A 54 0.397 -16.715 -0.532 1.00 23.15 H new ATOM 0 HD3 LYS A 54 -0.786 -17.922 -0.066 1.00 23.15 H new ATOM 0 HE2 LYS A 54 1.029 -19.290 -0.514 1.00 14.50 H new ATOM 0 HE3 LYS A 54 0.244 -19.303 -2.080 1.00 14.50 H new ATOM 0 HZ1 LYS A 54 2.733 -18.839 -1.995 1.00 24.33 H new ATOM 0 HZ2 LYS A 54 1.786 -17.814 -2.962 1.00 24.33 H new ATOM 0 HZ3 LYS A 54 2.320 -17.289 -1.438 1.00 24.33 H new ATOM 834 N ASN A 55 -3.010 -14.219 -3.066 1.00 63.04 N ATOM 835 CA ASN A 55 -4.386 -13.857 -2.746 1.00 52.20 C ATOM 836 C ASN A 55 -4.432 -12.868 -1.585 1.00 30.14 C ATOM 837 O ASN A 55 -5.229 -13.017 -0.660 1.00 10.21 O ATOM 838 CB ASN A 55 -5.197 -15.107 -2.398 1.00 31.20 C ATOM 839 CG ASN A 55 -6.160 -15.496 -3.503 1.00 11.44 C ATOM 840 OD1 ASN A 55 -6.176 -16.642 -3.952 1.00 21.41 O ATOM 841 ND2 ASN A 55 -6.970 -14.542 -3.946 1.00 73.02 N ATOM 0 H ASN A 55 -2.307 -13.582 -2.690 1.00 63.04 H new ATOM 0 HA ASN A 55 -4.824 -13.381 -3.624 1.00 52.20 H new ATOM 0 HB2 ASN A 55 -4.517 -15.936 -2.204 1.00 31.20 H new ATOM 0 HB3 ASN A 55 -5.755 -14.931 -1.478 1.00 31.20 H new ATOM 0 HD21 ASN A 55 -7.640 -14.746 -4.688 1.00 73.02 H new ATOM 0 HD22 ASN A 55 -6.922 -13.605 -3.545 1.00 73.02 H new ATOM 847 N VAL A 56 -3.571 -11.856 -1.642 1.00 10.10 N ATOM 848 CA VAL A 56 -3.514 -10.842 -0.597 1.00 35.34 C ATOM 849 C VAL A 56 -4.790 -10.007 -0.571 1.00 41.10 C ATOM 850 O VAL A 56 -5.333 -9.654 -1.617 1.00 32.45 O ATOM 851 CB VAL A 56 -2.305 -9.906 -0.788 1.00 14.03 C ATOM 852 CG1 VAL A 56 -2.084 -9.057 0.454 1.00 44.40 C ATOM 853 CG2 VAL A 56 -1.058 -10.710 -1.124 1.00 14.11 C ATOM 0 H VAL A 56 -2.904 -11.717 -2.401 1.00 10.10 H new ATOM 0 HA VAL A 56 -3.409 -11.370 0.351 1.00 35.34 H new ATOM 0 HB VAL A 56 -2.514 -9.237 -1.622 1.00 14.03 H new ATOM 0 HG11 VAL A 56 -1.226 -8.403 0.300 1.00 44.40 H new ATOM 0 HG12 VAL A 56 -2.971 -8.453 0.644 1.00 44.40 H new ATOM 0 HG13 VAL A 56 -1.896 -9.706 1.310 1.00 44.40 H new ATOM 0 HG21 VAL A 56 -0.213 -10.034 -1.256 1.00 14.11 H new ATOM 0 HG22 VAL A 56 -0.843 -11.405 -0.312 1.00 14.11 H new ATOM 0 HG23 VAL A 56 -1.223 -11.269 -2.045 1.00 14.11 H new ATOM 863 N ILE A 57 -5.261 -9.695 0.632 1.00 22.54 N ATOM 864 CA ILE A 57 -6.473 -8.900 0.793 1.00 51.03 C ATOM 865 C ILE A 57 -6.221 -7.689 1.685 1.00 43.31 C ATOM 866 O ILE A 57 -6.053 -7.824 2.899 1.00 31.44 O ATOM 867 CB ILE A 57 -7.618 -9.737 1.394 1.00 32.32 C ATOM 868 CG1 ILE A 57 -7.896 -10.962 0.520 1.00 52.30 C ATOM 869 CG2 ILE A 57 -8.873 -8.888 1.539 1.00 33.04 C ATOM 870 CD1 ILE A 57 -8.398 -12.158 1.299 1.00 32.22 C ATOM 0 H ILE A 57 -4.823 -9.980 1.508 1.00 22.54 H new ATOM 0 HA ILE A 57 -6.764 -8.561 -0.201 1.00 51.03 H new ATOM 0 HB ILE A 57 -7.318 -10.081 2.384 1.00 32.32 H new ATOM 0 HG12 ILE A 57 -8.632 -10.697 -0.239 1.00 52.30 H new ATOM 0 HG13 ILE A 57 -6.982 -11.238 -0.006 1.00 52.30 H new ATOM 0 HG21 ILE A 57 -9.674 -9.492 1.965 1.00 33.04 H new ATOM 0 HG22 ILE A 57 -8.667 -8.043 2.196 1.00 33.04 H new ATOM 0 HG23 ILE A 57 -9.178 -8.519 0.560 1.00 33.04 H new ATOM 0 HD11 ILE A 57 -8.574 -12.989 0.616 1.00 32.22 H new ATOM 0 HD12 ILE A 57 -7.653 -12.448 2.040 1.00 32.22 H new ATOM 0 HD13 ILE A 57 -9.329 -11.899 1.803 1.00 32.22 H new ATOM 881 N ILE A 58 -6.196 -6.509 1.077 1.00 14.54 N ATOM 882 CA ILE A 58 -5.968 -5.273 1.817 1.00 43.12 C ATOM 883 C ILE A 58 -7.131 -4.303 1.641 1.00 23.10 C ATOM 884 O ILE A 58 -7.617 -4.095 0.528 1.00 54.41 O ATOM 885 CB ILE A 58 -4.666 -4.582 1.371 1.00 63.21 C ATOM 886 CG1 ILE A 58 -4.683 -3.107 1.774 1.00 74.13 C ATOM 887 CG2 ILE A 58 -4.479 -4.725 -0.132 1.00 23.10 C ATOM 888 CD1 ILE A 58 -3.333 -2.434 1.660 1.00 53.32 C ATOM 0 H ILE A 58 -6.331 -6.382 0.074 1.00 14.54 H new ATOM 0 HA ILE A 58 -5.883 -5.547 2.869 1.00 43.12 H new ATOM 0 HB ILE A 58 -3.826 -5.065 1.869 1.00 63.21 H new ATOM 0 HG12 ILE A 58 -5.399 -2.576 1.147 1.00 74.13 H new ATOM 0 HG13 ILE A 58 -5.036 -3.024 2.802 1.00 74.13 H new ATOM 0 HG21 ILE A 58 -3.555 -4.232 -0.432 1.00 23.10 H new ATOM 0 HG22 ILE A 58 -4.428 -5.782 -0.393 1.00 23.10 H new ATOM 0 HG23 ILE A 58 -5.321 -4.264 -0.649 1.00 23.10 H new ATOM 0 HD11 ILE A 58 -3.420 -1.390 1.962 1.00 53.32 H new ATOM 0 HD12 ILE A 58 -2.618 -2.941 2.308 1.00 53.32 H new ATOM 0 HD13 ILE A 58 -2.987 -2.486 0.628 1.00 53.32 H new ATOM 899 N LEU A 59 -7.575 -3.712 2.746 1.00 64.54 N ATOM 900 CA LEU A 59 -8.681 -2.762 2.714 1.00 71.31 C ATOM 901 C LEU A 59 -8.250 -1.406 3.265 1.00 21.41 C ATOM 902 O LEU A 59 -7.392 -1.326 4.144 1.00 53.22 O ATOM 903 CB LEU A 59 -9.864 -3.299 3.519 1.00 44.42 C ATOM 904 CG LEU A 59 -10.736 -4.341 2.818 1.00 24.05 C ATOM 905 CD1 LEU A 59 -11.359 -5.288 3.833 1.00 70.15 C ATOM 906 CD2 LEU A 59 -11.815 -3.662 1.987 1.00 0.12 C ATOM 0 H LEU A 59 -7.186 -3.874 3.675 1.00 64.54 H new ATOM 0 HA LEU A 59 -8.986 -2.632 1.676 1.00 71.31 H new ATOM 0 HB2 LEU A 59 -9.481 -3.736 4.441 1.00 44.42 H new ATOM 0 HB3 LEU A 59 -10.496 -2.458 3.803 1.00 44.42 H new ATOM 0 HG LEU A 59 -10.103 -4.924 2.149 1.00 24.05 H new ATOM 0 HD11 LEU A 59 -11.976 -6.022 3.315 1.00 70.15 H new ATOM 0 HD12 LEU A 59 -10.571 -5.801 4.384 1.00 70.15 H new ATOM 0 HD13 LEU A 59 -11.977 -4.720 4.528 1.00 70.15 H new ATOM 0 HD21 LEU A 59 -12.426 -4.419 1.495 1.00 0.12 H new ATOM 0 HD22 LEU A 59 -12.444 -3.053 2.636 1.00 0.12 H new ATOM 0 HD23 LEU A 59 -11.349 -3.027 1.234 1.00 0.12 H new ATOM 917 N VAL A 60 -8.852 -0.343 2.742 1.00 53.22 N ATOM 918 CA VAL A 60 -8.534 1.009 3.184 1.00 75.41 C ATOM 919 C VAL A 60 -9.734 1.666 3.855 1.00 31.13 C ATOM 920 O VAL A 60 -10.858 1.581 3.361 1.00 41.21 O ATOM 921 CB VAL A 60 -8.073 1.890 2.007 1.00 21.30 C ATOM 922 CG1 VAL A 60 -9.156 1.968 0.941 1.00 63.12 C ATOM 923 CG2 VAL A 60 -7.696 3.280 2.497 1.00 75.10 C ATOM 0 H VAL A 60 -9.563 -0.392 2.012 1.00 53.22 H new ATOM 0 HA VAL A 60 -7.721 0.922 3.905 1.00 75.41 H new ATOM 0 HB VAL A 60 -7.189 1.435 1.561 1.00 21.30 H new ATOM 0 HG11 VAL A 60 -8.812 2.594 0.118 1.00 63.12 H new ATOM 0 HG12 VAL A 60 -9.373 0.967 0.569 1.00 63.12 H new ATOM 0 HG13 VAL A 60 -10.060 2.399 1.372 1.00 63.12 H new ATOM 0 HG21 VAL A 60 -7.373 3.888 1.652 1.00 75.10 H new ATOM 0 HG22 VAL A 60 -8.560 3.746 2.970 1.00 75.10 H new ATOM 0 HG23 VAL A 60 -6.884 3.203 3.220 1.00 75.10 H new ATOM 933 N ASN A 61 -9.488 2.322 4.985 1.00 43.54 N ATOM 934 CA ASN A 61 -10.551 2.993 5.726 1.00 62.45 C ATOM 935 C ASN A 61 -11.813 2.137 5.762 1.00 32.11 C ATOM 936 O ASN A 61 -12.926 2.650 5.654 1.00 52.34 O ATOM 937 CB ASN A 61 -10.859 4.352 5.095 1.00 24.13 C ATOM 938 CG ASN A 61 -11.358 4.227 3.668 1.00 12.21 C ATOM 939 OD1 ASN A 61 -10.569 4.081 2.734 1.00 70.01 O ATOM 940 ND2 ASN A 61 -12.673 4.285 3.494 1.00 34.04 N ATOM 0 H ASN A 61 -8.563 2.403 5.407 1.00 43.54 H new ATOM 0 HA ASN A 61 -10.208 3.144 6.750 1.00 62.45 H new ATOM 0 HB2 ASN A 61 -11.609 4.867 5.696 1.00 24.13 H new ATOM 0 HB3 ASN A 61 -9.960 4.969 5.110 1.00 24.13 H new ATOM 0 HD21 ASN A 61 -13.067 4.208 2.556 1.00 34.04 H new ATOM 0 HD22 ASN A 61 -13.289 4.407 4.298 1.00 34.04 H new ATOM 946 N GLY A 62 -11.631 0.829 5.914 1.00 30.10 N ATOM 947 CA GLY A 62 -12.764 -0.077 5.962 1.00 55.22 C ATOM 948 C GLY A 62 -13.632 0.014 4.723 1.00 43.22 C ATOM 949 O GLY A 62 -14.842 0.210 4.817 1.00 13.52 O ATOM 0 H GLY A 62 -10.719 0.380 6.005 1.00 30.10 H new ATOM 0 HA2 GLY A 62 -12.403 -1.099 6.075 1.00 55.22 H new ATOM 0 HA3 GLY A 62 -13.367 0.147 6.842 1.00 55.22 H new ATOM 953 N ASN A 63 -13.011 -0.129 3.557 1.00 73.51 N ATOM 954 CA ASN A 63 -13.735 -0.059 2.292 1.00 63.41 C ATOM 955 C ASN A 63 -12.789 -0.255 1.112 1.00 64.33 C ATOM 956 O ASN A 63 -11.842 0.509 0.929 1.00 32.43 O ATOM 957 CB ASN A 63 -14.455 1.284 2.165 1.00 12.41 C ATOM 958 CG ASN A 63 -15.963 1.141 2.229 1.00 55.23 C ATOM 959 OD1 ASN A 63 -16.523 0.146 1.770 1.00 2.14 O ATOM 960 ND2 ASN A 63 -16.628 2.138 2.801 1.00 41.25 N ATOM 0 H ASN A 63 -12.009 -0.294 3.461 1.00 73.51 H new ATOM 0 HA ASN A 63 -14.473 -0.861 2.280 1.00 63.41 H new ATOM 0 HB2 ASN A 63 -14.122 1.948 2.962 1.00 12.41 H new ATOM 0 HB3 ASN A 63 -14.177 1.754 1.222 1.00 12.41 H new ATOM 0 HD21 ASN A 63 -17.645 2.098 2.873 1.00 41.25 H new ATOM 0 HD22 ASN A 63 -16.122 2.944 3.168 1.00 41.25 H new ATOM 966 N ASN A 64 -13.051 -1.286 0.314 1.00 14.44 N ATOM 967 CA ASN A 64 -12.222 -1.582 -0.849 1.00 23.12 C ATOM 968 C ASN A 64 -12.194 -0.400 -1.813 1.00 14.42 C ATOM 969 O ASN A 64 -13.205 0.274 -2.014 1.00 25.23 O ATOM 970 CB ASN A 64 -12.744 -2.828 -1.568 1.00 64.20 C ATOM 971 CG ASN A 64 -14.146 -2.637 -2.112 1.00 22.13 C ATOM 972 OD1 ASN A 64 -15.013 -2.073 -1.443 1.00 62.25 O ATOM 973 ND2 ASN A 64 -14.377 -3.109 -3.333 1.00 75.01 N ATOM 0 H ASN A 64 -13.830 -1.930 0.452 1.00 14.44 H new ATOM 0 HA ASN A 64 -11.206 -1.769 -0.502 1.00 23.12 H new ATOM 0 HB2 ASN A 64 -12.071 -3.080 -2.387 1.00 64.20 H new ATOM 0 HB3 ASN A 64 -12.737 -3.672 -0.878 1.00 64.20 H new ATOM 0 HD21 ASN A 64 -15.302 -3.011 -3.751 1.00 75.01 H new ATOM 0 HD22 ASN A 64 -13.629 -3.570 -3.852 1.00 75.01 H new ATOM 979 N ILE A 65 -11.031 -0.154 -2.405 1.00 62.14 N ATOM 980 CA ILE A 65 -10.872 0.945 -3.349 1.00 64.52 C ATOM 981 C ILE A 65 -11.499 0.608 -4.697 1.00 60.51 C ATOM 982 O ILE A 65 -12.031 1.480 -5.384 1.00 13.21 O ATOM 983 CB ILE A 65 -9.386 1.296 -3.559 1.00 41.00 C ATOM 984 CG1 ILE A 65 -8.627 0.085 -4.105 1.00 43.12 C ATOM 985 CG2 ILE A 65 -8.765 1.774 -2.256 1.00 21.20 C ATOM 986 CD1 ILE A 65 -7.146 0.333 -4.288 1.00 23.40 C ATOM 0 H ILE A 65 -10.184 -0.701 -2.248 1.00 62.14 H new ATOM 0 HA ILE A 65 -11.383 1.806 -2.919 1.00 64.52 H new ATOM 0 HB ILE A 65 -9.318 2.104 -4.288 1.00 41.00 H new ATOM 0 HG12 ILE A 65 -8.765 -0.757 -3.426 1.00 43.12 H new ATOM 0 HG13 ILE A 65 -9.060 -0.204 -5.063 1.00 43.12 H new ATOM 0 HG21 ILE A 65 -7.716 2.018 -2.421 1.00 21.20 H new ATOM 0 HG22 ILE A 65 -9.293 2.661 -1.905 1.00 21.20 H new ATOM 0 HG23 ILE A 65 -8.841 0.986 -1.506 1.00 21.20 H new ATOM 0 HD11 ILE A 65 -6.672 -0.568 -4.678 1.00 23.40 H new ATOM 0 HD12 ILE A 65 -6.999 1.154 -4.990 1.00 23.40 H new ATOM 0 HD13 ILE A 65 -6.699 0.592 -3.328 1.00 23.40 H new ATOM 997 N THR A 66 -11.434 -0.666 -5.071 1.00 23.33 N ATOM 998 CA THR A 66 -11.996 -1.121 -6.337 1.00 73.41 C ATOM 999 C THR A 66 -13.478 -0.781 -6.434 1.00 14.14 C ATOM 1000 O THR A 66 -14.017 -0.616 -7.529 1.00 62.10 O ATOM 1001 CB THR A 66 -11.817 -2.640 -6.519 1.00 13.10 C ATOM 1002 OG1 THR A 66 -12.296 -3.331 -5.360 1.00 70.05 O ATOM 1003 CG2 THR A 66 -10.355 -2.988 -6.755 1.00 72.03 C ATOM 0 H THR A 66 -10.998 -1.401 -4.515 1.00 23.33 H new ATOM 0 HA THR A 66 -11.454 -0.602 -7.127 1.00 73.41 H new ATOM 0 HB THR A 66 -12.393 -2.950 -7.391 1.00 13.10 H new ATOM 0 HG1 THR A 66 -12.181 -4.296 -5.484 1.00 70.05 H new ATOM 0 HG21 THR A 66 -10.253 -4.066 -6.881 1.00 72.03 H new ATOM 0 HG22 THR A 66 -10.001 -2.483 -7.654 1.00 72.03 H new ATOM 0 HG23 THR A 66 -9.761 -2.665 -5.900 1.00 72.03 H new ATOM 1011 N SER A 67 -14.133 -0.674 -5.282 1.00 24.43 N ATOM 1012 CA SER A 67 -15.556 -0.355 -5.239 1.00 44.54 C ATOM 1013 C SER A 67 -15.863 0.878 -6.082 1.00 40.31 C ATOM 1014 O SER A 67 -16.824 0.895 -6.849 1.00 74.30 O ATOM 1015 CB SER A 67 -16.003 -0.124 -3.794 1.00 31.10 C ATOM 1016 OG SER A 67 -17.198 0.635 -3.746 1.00 4.53 O ATOM 0 H SER A 67 -13.702 -0.803 -4.367 1.00 24.43 H new ATOM 0 HA SER A 67 -16.106 -1.201 -5.652 1.00 44.54 H new ATOM 0 HB2 SER A 67 -16.157 -1.083 -3.300 1.00 31.10 H new ATOM 0 HB3 SER A 67 -15.217 0.394 -3.245 1.00 31.10 H new ATOM 0 HG SER A 67 -17.464 0.768 -2.812 1.00 4.53 H new ATOM 1021 N MET A 68 -15.038 1.910 -5.932 1.00 43.11 N ATOM 1022 CA MET A 68 -15.221 3.148 -6.680 1.00 54.13 C ATOM 1023 C MET A 68 -13.999 3.446 -7.545 1.00 41.45 C ATOM 1024 O MET A 68 -14.018 3.235 -8.757 1.00 34.15 O ATOM 1025 CB MET A 68 -15.479 4.314 -5.724 1.00 4.31 C ATOM 1026 CG MET A 68 -15.012 4.047 -4.302 1.00 14.44 C ATOM 1027 SD MET A 68 -15.327 5.437 -3.196 1.00 3.43 S ATOM 1028 CE MET A 68 -13.774 6.321 -3.312 1.00 42.24 C ATOM 0 H MET A 68 -14.237 1.913 -5.300 1.00 43.11 H new ATOM 0 HA MET A 68 -16.086 3.024 -7.332 1.00 54.13 H new ATOM 0 HB2 MET A 68 -14.974 5.203 -6.103 1.00 4.31 H new ATOM 0 HB3 MET A 68 -16.546 4.534 -5.712 1.00 4.31 H new ATOM 0 HG2 MET A 68 -15.517 3.160 -3.918 1.00 14.44 H new ATOM 0 HG3 MET A 68 -13.944 3.828 -4.309 1.00 14.44 H new ATOM 0 HE1 MET A 68 -13.813 7.209 -2.681 1.00 42.24 H new ATOM 0 HE2 MET A 68 -12.962 5.675 -2.979 1.00 42.24 H new ATOM 0 HE3 MET A 68 -13.601 6.618 -4.346 1.00 42.24 H new ATOM 1036 N LYS A 69 -12.938 3.936 -6.912 1.00 13.05 N ATOM 1037 CA LYS A 69 -11.707 4.261 -7.623 1.00 74.23 C ATOM 1038 C LYS A 69 -10.531 3.462 -7.069 1.00 33.15 C ATOM 1039 O LYS A 69 -10.335 3.388 -5.857 1.00 4.41 O ATOM 1040 CB LYS A 69 -11.414 5.760 -7.517 1.00 43.13 C ATOM 1041 CG LYS A 69 -12.126 6.595 -8.567 1.00 42.22 C ATOM 1042 CD LYS A 69 -11.509 6.405 -9.942 1.00 23.15 C ATOM 1043 CE LYS A 69 -12.396 5.553 -10.838 1.00 62.15 C ATOM 1044 NZ LYS A 69 -12.397 6.043 -12.244 1.00 22.04 N ATOM 0 H LYS A 69 -12.906 4.117 -5.909 1.00 13.05 H new ATOM 0 HA LYS A 69 -11.841 3.996 -8.672 1.00 74.23 H new ATOM 0 HB2 LYS A 69 -11.707 6.110 -6.527 1.00 43.13 H new ATOM 0 HB3 LYS A 69 -10.339 5.919 -7.606 1.00 43.13 H new ATOM 0 HG2 LYS A 69 -13.180 6.320 -8.599 1.00 42.22 H new ATOM 0 HG3 LYS A 69 -12.080 7.648 -8.289 1.00 42.22 H new ATOM 0 HD2 LYS A 69 -11.347 7.377 -10.407 1.00 23.15 H new ATOM 0 HD3 LYS A 69 -10.531 5.933 -9.841 1.00 23.15 H new ATOM 0 HE2 LYS A 69 -12.051 4.519 -10.814 1.00 62.15 H new ATOM 0 HE3 LYS A 69 -13.415 5.558 -10.451 1.00 62.15 H new ATOM 0 HZ1 LYS A 69 -13.013 5.437 -12.823 1.00 22.04 H new ATOM 0 HZ2 LYS A 69 -12.750 7.021 -12.271 1.00 22.04 H new ATOM 0 HZ3 LYS A 69 -11.429 6.014 -12.622 1.00 22.04 H new ATOM 1054 N GLY A 70 -9.751 2.868 -7.966 1.00 43.23 N ATOM 1055 CA GLY A 70 -8.604 2.084 -7.547 1.00 11.00 C ATOM 1056 C GLY A 70 -7.598 2.901 -6.762 1.00 54.20 C ATOM 1057 O GLY A 70 -7.776 3.136 -5.566 1.00 61.13 O ATOM 0 H GLY A 70 -9.893 2.915 -8.975 1.00 43.23 H new ATOM 0 HA2 GLY A 70 -8.943 1.247 -6.936 1.00 11.00 H new ATOM 0 HA3 GLY A 70 -8.117 1.661 -8.425 1.00 11.00 H new ATOM 1061 N LEU A 71 -6.537 3.335 -7.433 1.00 34.41 N ATOM 1062 CA LEU A 71 -5.497 4.131 -6.790 1.00 35.45 C ATOM 1063 C LEU A 71 -5.962 5.569 -6.583 1.00 74.35 C ATOM 1064 O LEU A 71 -5.368 6.318 -5.807 1.00 2.54 O ATOM 1065 CB LEU A 71 -4.219 4.111 -7.632 1.00 52.41 C ATOM 1066 CG LEU A 71 -3.396 2.824 -7.571 1.00 51.21 C ATOM 1067 CD1 LEU A 71 -2.756 2.536 -8.920 1.00 24.23 C ATOM 1068 CD2 LEU A 71 -2.334 2.921 -6.485 1.00 71.02 C ATOM 0 H LEU A 71 -6.374 3.149 -8.423 1.00 34.41 H new ATOM 0 HA LEU A 71 -5.289 3.693 -5.814 1.00 35.45 H new ATOM 0 HB2 LEU A 71 -4.490 4.297 -8.671 1.00 52.41 H new ATOM 0 HB3 LEU A 71 -3.585 4.939 -7.315 1.00 52.41 H new ATOM 0 HG LEU A 71 -4.065 1.999 -7.325 1.00 51.21 H new ATOM 0 HD11 LEU A 71 -2.174 1.616 -8.858 1.00 24.23 H new ATOM 0 HD12 LEU A 71 -3.534 2.423 -9.675 1.00 24.23 H new ATOM 0 HD13 LEU A 71 -2.100 3.362 -9.196 1.00 24.23 H new ATOM 0 HD21 LEU A 71 -1.758 1.996 -6.456 1.00 71.02 H new ATOM 0 HD22 LEU A 71 -1.668 3.757 -6.701 1.00 71.02 H new ATOM 0 HD23 LEU A 71 -2.814 3.080 -5.520 1.00 71.02 H new ATOM 1079 N ASP A 72 -7.026 5.948 -7.282 1.00 75.11 N ATOM 1080 CA ASP A 72 -7.572 7.296 -7.173 1.00 31.52 C ATOM 1081 C ASP A 72 -8.359 7.461 -5.877 1.00 45.02 C ATOM 1082 O ASP A 72 -8.835 8.550 -5.559 1.00 32.50 O ATOM 1083 CB ASP A 72 -8.470 7.604 -8.372 1.00 0.25 C ATOM 1084 CG ASP A 72 -7.756 8.412 -9.438 1.00 43.22 C ATOM 1085 OD1 ASP A 72 -7.332 9.547 -9.138 1.00 61.43 O ATOM 1086 OD2 ASP A 72 -7.622 7.908 -10.573 1.00 43.51 O ATOM 0 H ASP A 72 -7.528 5.341 -7.930 1.00 75.11 H new ATOM 0 HA ASP A 72 -6.739 7.999 -7.163 1.00 31.52 H new ATOM 0 HB2 ASP A 72 -8.825 6.669 -8.806 1.00 0.25 H new ATOM 0 HB3 ASP A 72 -9.349 8.152 -8.033 1.00 0.25 H new ATOM 1090 N THR A 73 -8.493 6.368 -5.129 1.00 35.34 N ATOM 1091 CA THR A 73 -9.224 6.390 -3.869 1.00 61.22 C ATOM 1092 C THR A 73 -8.586 7.359 -2.880 1.00 61.23 C ATOM 1093 O THR A 73 -7.394 7.266 -2.589 1.00 40.41 O ATOM 1094 CB THR A 73 -9.285 4.989 -3.231 1.00 13.21 C ATOM 1095 OG1 THR A 73 -10.550 4.379 -3.509 1.00 23.33 O ATOM 1096 CG2 THR A 73 -9.077 5.070 -1.726 1.00 71.21 C ATOM 0 H THR A 73 -8.104 5.458 -5.375 1.00 35.34 H new ATOM 0 HA THR A 73 -10.237 6.722 -4.097 1.00 61.22 H new ATOM 0 HB THR A 73 -8.487 4.384 -3.661 1.00 13.21 H new ATOM 0 HG1 THR A 73 -10.640 4.238 -4.475 1.00 23.33 H new ATOM 0 HG21 THR A 73 -9.124 4.069 -1.298 1.00 71.21 H new ATOM 0 HG22 THR A 73 -8.101 5.509 -1.517 1.00 71.21 H new ATOM 0 HG23 THR A 73 -9.856 5.691 -1.284 1.00 71.21 H new ATOM 1104 N GLU A 74 -9.388 8.287 -2.367 1.00 75.12 N ATOM 1105 CA GLU A 74 -8.899 9.273 -1.410 1.00 31.34 C ATOM 1106 C GLU A 74 -8.830 8.681 -0.006 1.00 42.44 C ATOM 1107 O GLU A 74 -9.560 7.744 0.320 1.00 61.33 O ATOM 1108 CB GLU A 74 -9.802 10.508 -1.411 1.00 74.00 C ATOM 1109 CG GLU A 74 -11.172 10.261 -0.803 1.00 32.03 C ATOM 1110 CD GLU A 74 -11.998 11.528 -0.692 1.00 50.42 C ATOM 1111 OE1 GLU A 74 -11.424 12.583 -0.350 1.00 43.14 O ATOM 1112 OE2 GLU A 74 -13.220 11.463 -0.945 1.00 50.13 O ATOM 0 H GLU A 74 -10.378 8.377 -2.598 1.00 75.12 H new ATOM 0 HA GLU A 74 -7.893 9.567 -1.711 1.00 31.34 H new ATOM 0 HB2 GLU A 74 -9.309 11.309 -0.860 1.00 74.00 H new ATOM 0 HB3 GLU A 74 -9.926 10.856 -2.436 1.00 74.00 H new ATOM 0 HG2 GLU A 74 -11.709 9.533 -1.411 1.00 32.03 H new ATOM 0 HG3 GLU A 74 -11.052 9.822 0.187 1.00 32.03 H new ATOM 1117 N ILE A 75 -7.949 9.234 0.821 1.00 63.11 N ATOM 1118 CA ILE A 75 -7.785 8.762 2.190 1.00 24.34 C ATOM 1119 C ILE A 75 -7.421 9.907 3.127 1.00 13.43 C ATOM 1120 O ILE A 75 -6.366 10.527 2.989 1.00 61.51 O ATOM 1121 CB ILE A 75 -6.701 7.672 2.283 1.00 51.44 C ATOM 1122 CG1 ILE A 75 -5.470 8.076 1.469 1.00 1.13 C ATOM 1123 CG2 ILE A 75 -7.248 6.337 1.800 1.00 2.42 C ATOM 1124 CD1 ILE A 75 -4.359 7.050 1.504 1.00 23.41 C ATOM 0 H ILE A 75 -7.338 10.010 0.566 1.00 63.11 H new ATOM 0 HA ILE A 75 -8.742 8.338 2.494 1.00 24.34 H new ATOM 0 HB ILE A 75 -6.404 7.564 3.326 1.00 51.44 H new ATOM 0 HG12 ILE A 75 -5.768 8.242 0.434 1.00 1.13 H new ATOM 0 HG13 ILE A 75 -5.090 9.025 1.847 1.00 1.13 H new ATOM 0 HG21 ILE A 75 -6.470 5.577 1.872 1.00 2.42 H new ATOM 0 HG22 ILE A 75 -8.097 6.046 2.419 1.00 2.42 H new ATOM 0 HG23 ILE A 75 -7.570 6.429 0.763 1.00 2.42 H new ATOM 0 HD11 ILE A 75 -3.519 7.403 0.906 1.00 23.41 H new ATOM 0 HD12 ILE A 75 -4.034 6.901 2.534 1.00 23.41 H new ATOM 0 HD13 ILE A 75 -4.723 6.106 1.098 1.00 23.41 H new ATOM 1135 N LYS A 76 -8.300 10.184 4.084 1.00 11.01 N ATOM 1136 CA LYS A 76 -8.072 11.254 5.048 1.00 40.23 C ATOM 1137 C LYS A 76 -7.056 10.827 6.103 1.00 41.41 C ATOM 1138 O LYS A 76 -6.627 9.674 6.135 1.00 5.54 O ATOM 1139 CB LYS A 76 -9.387 11.651 5.723 1.00 24.33 C ATOM 1140 CG LYS A 76 -10.521 11.899 4.743 1.00 25.11 C ATOM 1141 CD LYS A 76 -11.791 12.327 5.459 1.00 21.34 C ATOM 1142 CE LYS A 76 -11.592 13.631 6.215 1.00 11.32 C ATOM 1143 NZ LYS A 76 -12.879 14.179 6.726 1.00 2.14 N ATOM 0 H LYS A 76 -9.178 9.681 4.213 1.00 11.01 H new ATOM 0 HA LYS A 76 -7.673 12.114 4.510 1.00 40.23 H new ATOM 0 HB2 LYS A 76 -9.682 10.864 6.416 1.00 24.33 H new ATOM 0 HB3 LYS A 76 -9.225 12.552 6.314 1.00 24.33 H new ATOM 0 HG2 LYS A 76 -10.226 12.670 4.031 1.00 25.11 H new ATOM 0 HG3 LYS A 76 -10.713 10.992 4.170 1.00 25.11 H new ATOM 0 HD2 LYS A 76 -12.597 12.445 4.734 1.00 21.34 H new ATOM 0 HD3 LYS A 76 -12.099 11.546 6.154 1.00 21.34 H new ATOM 0 HE2 LYS A 76 -10.911 13.466 7.050 1.00 11.32 H new ATOM 0 HE3 LYS A 76 -11.121 14.363 5.559 1.00 11.32 H new ATOM 0 HZ1 LYS A 76 -12.700 15.068 7.235 1.00 2.14 H new ATOM 0 HZ2 LYS A 76 -13.520 14.360 5.928 1.00 2.14 H new ATOM 0 HZ3 LYS A 76 -13.317 13.492 7.372 1.00 2.14 H new ATOM 1153 N ASP A 77 -6.676 11.764 6.965 1.00 35.05 N ATOM 1154 CA ASP A 77 -5.713 11.484 8.023 1.00 54.11 C ATOM 1155 C ASP A 77 -6.277 10.476 9.019 1.00 45.32 C ATOM 1156 O ASP A 77 -5.531 9.722 9.644 1.00 65.11 O ATOM 1157 CB ASP A 77 -5.330 12.776 8.749 1.00 24.34 C ATOM 1158 CG ASP A 77 -6.526 13.463 9.375 1.00 54.12 C ATOM 1159 OD1 ASP A 77 -7.170 14.280 8.684 1.00 3.23 O ATOM 1160 OD2 ASP A 77 -6.819 13.187 10.558 1.00 72.20 O ATOM 0 H ASP A 77 -7.020 12.724 6.952 1.00 35.05 H new ATOM 0 HA ASP A 77 -4.822 11.055 7.564 1.00 54.11 H new ATOM 0 HB2 ASP A 77 -4.597 12.551 9.524 1.00 24.34 H new ATOM 0 HB3 ASP A 77 -4.851 13.457 8.045 1.00 24.34 H new ATOM 1164 N ASP A 78 -7.598 10.468 9.161 1.00 53.02 N ATOM 1165 CA ASP A 78 -8.262 9.551 10.081 1.00 51.20 C ATOM 1166 C ASP A 78 -8.362 8.154 9.478 1.00 45.12 C ATOM 1167 O ASP A 78 -8.436 7.159 10.200 1.00 14.24 O ATOM 1168 CB ASP A 78 -9.657 10.070 10.431 1.00 15.44 C ATOM 1169 CG ASP A 78 -9.647 11.530 10.844 1.00 64.23 C ATOM 1170 OD1 ASP A 78 -9.139 11.830 11.944 1.00 14.33 O ATOM 1171 OD2 ASP A 78 -10.145 12.369 10.066 1.00 14.14 O ATOM 0 H ASP A 78 -8.230 11.086 8.651 1.00 53.02 H new ATOM 0 HA ASP A 78 -7.665 9.492 10.991 1.00 51.20 H new ATOM 0 HB2 ASP A 78 -10.315 9.944 9.571 1.00 15.44 H new ATOM 0 HB3 ASP A 78 -10.072 9.470 11.241 1.00 15.44 H new ATOM 1175 N ASP A 79 -8.365 8.087 8.151 1.00 52.44 N ATOM 1176 CA ASP A 79 -8.456 6.811 7.450 1.00 41.02 C ATOM 1177 C ASP A 79 -7.234 5.944 7.739 1.00 22.11 C ATOM 1178 O ASP A 79 -6.128 6.453 7.925 1.00 3.41 O ATOM 1179 CB ASP A 79 -8.590 7.040 5.945 1.00 32.43 C ATOM 1180 CG ASP A 79 -10.001 7.420 5.539 1.00 5.31 C ATOM 1181 OD1 ASP A 79 -10.837 7.641 6.441 1.00 70.44 O ATOM 1182 OD2 ASP A 79 -10.270 7.493 4.322 1.00 22.32 O ATOM 0 H ASP A 79 -8.305 8.901 7.539 1.00 52.44 H new ATOM 0 HA ASP A 79 -9.343 6.289 7.810 1.00 41.02 H new ATOM 0 HB2 ASP A 79 -7.902 7.828 5.638 1.00 32.43 H new ATOM 0 HB3 ASP A 79 -8.294 6.135 5.415 1.00 32.43 H new ATOM 1186 N LYS A 80 -7.441 4.632 7.775 1.00 54.52 N ATOM 1187 CA LYS A 80 -6.358 3.693 8.041 1.00 33.43 C ATOM 1188 C LYS A 80 -6.433 2.496 7.100 1.00 64.45 C ATOM 1189 O LYS A 80 -7.514 1.966 6.838 1.00 52.31 O ATOM 1190 CB LYS A 80 -6.412 3.217 9.495 1.00 22.32 C ATOM 1191 CG LYS A 80 -7.783 2.722 9.921 1.00 24.42 C ATOM 1192 CD LYS A 80 -7.716 1.955 11.231 1.00 45.11 C ATOM 1193 CE LYS A 80 -8.921 1.043 11.406 1.00 34.05 C ATOM 1194 NZ LYS A 80 -10.192 1.815 11.490 1.00 13.50 N ATOM 0 H LYS A 80 -8.350 4.195 7.623 1.00 54.52 H new ATOM 0 HA LYS A 80 -5.413 4.209 7.870 1.00 33.43 H new ATOM 0 HB2 LYS A 80 -5.686 2.416 9.634 1.00 22.32 H new ATOM 0 HB3 LYS A 80 -6.111 4.036 10.148 1.00 22.32 H new ATOM 0 HG2 LYS A 80 -8.460 3.570 10.029 1.00 24.42 H new ATOM 0 HG3 LYS A 80 -8.197 2.080 9.143 1.00 24.42 H new ATOM 0 HD2 LYS A 80 -6.802 1.362 11.260 1.00 45.11 H new ATOM 0 HD3 LYS A 80 -7.666 2.658 12.063 1.00 45.11 H new ATOM 0 HE2 LYS A 80 -8.974 0.346 10.570 1.00 34.05 H new ATOM 0 HE3 LYS A 80 -8.797 0.447 12.310 1.00 34.05 H new ATOM 0 HZ1 LYS A 80 -10.982 1.164 11.677 1.00 13.50 H new ATOM 0 HZ2 LYS A 80 -10.126 2.510 12.261 1.00 13.50 H new ATOM 0 HZ3 LYS A 80 -10.357 2.311 10.591 1.00 13.50 H new ATOM 1204 N ILE A 81 -5.279 2.072 6.594 1.00 52.52 N ATOM 1205 CA ILE A 81 -5.215 0.935 5.685 1.00 32.50 C ATOM 1206 C ILE A 81 -4.698 -0.310 6.397 1.00 25.45 C ATOM 1207 O ILE A 81 -3.767 -0.239 7.199 1.00 14.22 O ATOM 1208 CB ILE A 81 -4.310 1.233 4.474 1.00 32.13 C ATOM 1209 CG1 ILE A 81 -4.673 2.586 3.860 1.00 22.25 C ATOM 1210 CG2 ILE A 81 -4.430 0.125 3.438 1.00 1.45 C ATOM 1211 CD1 ILE A 81 -3.804 3.725 4.347 1.00 45.03 C ATOM 0 H ILE A 81 -4.376 2.499 6.799 1.00 52.52 H new ATOM 0 HA ILE A 81 -6.231 0.754 5.334 1.00 32.50 H new ATOM 0 HB ILE A 81 -3.275 1.275 4.813 1.00 32.13 H new ATOM 0 HG12 ILE A 81 -4.592 2.517 2.775 1.00 22.25 H new ATOM 0 HG13 ILE A 81 -5.715 2.811 4.088 1.00 22.25 H new ATOM 0 HG21 ILE A 81 -3.785 0.350 2.589 1.00 1.45 H new ATOM 0 HG22 ILE A 81 -4.127 -0.823 3.883 1.00 1.45 H new ATOM 0 HG23 ILE A 81 -5.464 0.054 3.100 1.00 1.45 H new ATOM 0 HD11 ILE A 81 -4.119 4.653 3.869 1.00 45.03 H new ATOM 0 HD12 ILE A 81 -3.903 3.822 5.428 1.00 45.03 H new ATOM 0 HD13 ILE A 81 -2.763 3.522 4.095 1.00 45.03 H new ATOM 1222 N ASP A 82 -5.308 -1.452 6.097 1.00 4.22 N ATOM 1223 CA ASP A 82 -4.909 -2.716 6.705 1.00 54.24 C ATOM 1224 C ASP A 82 -4.755 -3.804 5.648 1.00 21.11 C ATOM 1225 O ASP A 82 -5.620 -3.975 4.788 1.00 1.11 O ATOM 1226 CB ASP A 82 -5.934 -3.147 7.755 1.00 60.02 C ATOM 1227 CG ASP A 82 -6.251 -2.042 8.744 1.00 5.33 C ATOM 1228 OD1 ASP A 82 -5.306 -1.368 9.205 1.00 24.41 O ATOM 1229 OD2 ASP A 82 -7.445 -1.852 9.056 1.00 12.10 O ATOM 0 H ASP A 82 -6.081 -1.528 5.436 1.00 4.22 H new ATOM 0 HA ASP A 82 -3.944 -2.569 7.190 1.00 54.24 H new ATOM 0 HB2 ASP A 82 -6.852 -3.458 7.256 1.00 60.02 H new ATOM 0 HB3 ASP A 82 -5.554 -4.015 8.294 1.00 60.02 H new ATOM 1233 N LEU A 83 -3.648 -4.536 5.717 1.00 14.34 N ATOM 1234 CA LEU A 83 -3.380 -5.608 4.765 1.00 52.02 C ATOM 1235 C LEU A 83 -3.502 -6.974 5.433 1.00 74.22 C ATOM 1236 O LEU A 83 -3.120 -7.146 6.591 1.00 72.03 O ATOM 1237 CB LEU A 83 -1.983 -5.445 4.163 1.00 52.34 C ATOM 1238 CG LEU A 83 -1.722 -6.198 2.858 1.00 11.31 C ATOM 1239 CD1 LEU A 83 -1.149 -5.260 1.807 1.00 41.12 C ATOM 1240 CD2 LEU A 83 -0.784 -7.371 3.097 1.00 21.00 C ATOM 0 H LEU A 83 -2.922 -4.407 6.422 1.00 14.34 H new ATOM 0 HA LEU A 83 -4.122 -5.546 3.969 1.00 52.02 H new ATOM 0 HB2 LEU A 83 -1.806 -4.384 3.988 1.00 52.34 H new ATOM 0 HB3 LEU A 83 -1.251 -5.773 4.901 1.00 52.34 H new ATOM 0 HG LEU A 83 -2.671 -6.588 2.490 1.00 11.31 H new ATOM 0 HD11 LEU A 83 -0.969 -5.813 0.885 1.00 41.12 H new ATOM 0 HD12 LEU A 83 -1.857 -4.453 1.615 1.00 41.12 H new ATOM 0 HD13 LEU A 83 -0.210 -4.840 2.167 1.00 41.12 H new ATOM 0 HD21 LEU A 83 -0.610 -7.895 2.157 1.00 21.00 H new ATOM 0 HD22 LEU A 83 0.165 -7.004 3.489 1.00 21.00 H new ATOM 0 HD23 LEU A 83 -1.234 -8.056 3.816 1.00 21.00 H new ATOM 1251 N PHE A 84 -4.035 -7.942 4.696 1.00 72.21 N ATOM 1252 CA PHE A 84 -4.206 -9.294 5.217 1.00 51.34 C ATOM 1253 C PHE A 84 -3.617 -10.324 4.259 1.00 24.11 C ATOM 1254 O PHE A 84 -3.668 -10.175 3.038 1.00 32.52 O ATOM 1255 CB PHE A 84 -5.689 -9.588 5.453 1.00 74.43 C ATOM 1256 CG PHE A 84 -6.033 -9.809 6.898 1.00 14.31 C ATOM 1257 CD1 PHE A 84 -6.003 -8.757 7.800 1.00 25.23 C ATOM 1258 CD2 PHE A 84 -6.388 -11.068 7.355 1.00 62.42 C ATOM 1259 CE1 PHE A 84 -6.319 -8.957 9.130 1.00 44.12 C ATOM 1260 CE2 PHE A 84 -6.706 -11.274 8.684 1.00 63.14 C ATOM 1261 CZ PHE A 84 -6.672 -10.218 9.573 1.00 33.40 C ATOM 0 H PHE A 84 -4.356 -7.816 3.736 1.00 72.21 H new ATOM 0 HA PHE A 84 -3.674 -9.362 6.166 1.00 51.34 H new ATOM 0 HB2 PHE A 84 -6.281 -8.757 5.070 1.00 74.43 H new ATOM 0 HB3 PHE A 84 -5.972 -10.472 4.881 1.00 74.43 H new ATOM 0 HD1 PHE A 84 -5.729 -7.769 7.459 1.00 25.23 H new ATOM 0 HD2 PHE A 84 -6.417 -11.898 6.665 1.00 62.42 H new ATOM 0 HE1 PHE A 84 -6.290 -8.129 9.823 1.00 44.12 H new ATOM 0 HE2 PHE A 84 -6.981 -12.260 9.027 1.00 63.14 H new ATOM 0 HZ PHE A 84 -6.921 -10.377 10.612 1.00 33.40 H new ATOM 1270 N PRO A 85 -3.043 -11.397 4.824 1.00 23.41 N ATOM 1271 CA PRO A 85 -2.433 -12.474 4.038 1.00 1.40 C ATOM 1272 C PRO A 85 -3.470 -13.303 3.288 1.00 63.21 C ATOM 1273 O PRO A 85 -4.668 -13.241 3.564 1.00 3.33 O ATOM 1274 CB PRO A 85 -1.730 -13.329 5.095 1.00 1.21 C ATOM 1275 CG PRO A 85 -2.482 -13.069 6.356 1.00 23.54 C ATOM 1276 CD PRO A 85 -2.946 -11.641 6.273 1.00 70.13 C ATOM 0 HA PRO A 85 -1.765 -12.088 3.268 1.00 1.40 H new ATOM 0 HB2 PRO A 85 -1.755 -14.386 4.830 1.00 1.21 H new ATOM 0 HB3 PRO A 85 -0.681 -13.051 5.195 1.00 1.21 H new ATOM 0 HG2 PRO A 85 -3.328 -13.749 6.453 1.00 23.54 H new ATOM 0 HG3 PRO A 85 -1.847 -13.223 7.228 1.00 23.54 H new ATOM 0 HD2 PRO A 85 -3.906 -11.501 6.769 1.00 70.13 H new ATOM 0 HD3 PRO A 85 -2.240 -10.961 6.749 1.00 70.13 H new ATOM 1281 N PRO A 86 -3.001 -14.097 2.314 1.00 24.51 N ATOM 1282 CA PRO A 86 -3.872 -14.954 1.503 1.00 64.14 C ATOM 1283 C PRO A 86 -4.453 -16.114 2.305 1.00 40.00 C ATOM 1284 O PRO A 86 -3.848 -16.577 3.273 1.00 21.20 O ATOM 1285 CB PRO A 86 -2.937 -15.475 0.409 1.00 22.14 C ATOM 1286 CG PRO A 86 -1.577 -15.411 1.011 1.00 70.04 C ATOM 1287 CD PRO A 86 -1.585 -14.221 1.929 1.00 12.03 C ATOM 0 HA PRO A 86 -4.737 -14.412 1.121 1.00 64.14 H new ATOM 0 HB2 PRO A 86 -3.195 -16.494 0.120 1.00 22.14 H new ATOM 0 HB3 PRO A 86 -3.001 -14.863 -0.491 1.00 22.14 H new ATOM 0 HG2 PRO A 86 -1.350 -16.325 1.559 1.00 70.04 H new ATOM 0 HG3 PRO A 86 -0.814 -15.304 0.240 1.00 70.04 H new ATOM 0 HD2 PRO A 86 -0.945 -14.379 2.797 1.00 12.03 H new ATOM 0 HD3 PRO A 86 -1.225 -13.323 1.426 1.00 12.03 H new ATOM 1292 N VAL A 87 -5.629 -16.580 1.896 1.00 33.20 N ATOM 1293 CA VAL A 87 -6.290 -17.688 2.575 1.00 11.42 C ATOM 1294 C VAL A 87 -5.380 -18.908 2.652 1.00 21.54 C ATOM 1295 O VAL A 87 -5.516 -19.742 3.546 1.00 15.21 O ATOM 1296 CB VAL A 87 -7.599 -18.081 1.866 1.00 34.52 C ATOM 1297 CG1 VAL A 87 -8.675 -17.034 2.113 1.00 0.24 C ATOM 1298 CG2 VAL A 87 -7.361 -18.269 0.375 1.00 34.11 C ATOM 0 H VAL A 87 -6.143 -16.207 1.098 1.00 33.20 H new ATOM 0 HA VAL A 87 -6.521 -17.347 3.584 1.00 11.42 H new ATOM 0 HB VAL A 87 -7.945 -19.029 2.279 1.00 34.52 H new ATOM 0 HG11 VAL A 87 -9.593 -17.329 1.604 1.00 0.24 H new ATOM 0 HG12 VAL A 87 -8.864 -16.952 3.183 1.00 0.24 H new ATOM 0 HG13 VAL A 87 -8.340 -16.071 1.728 1.00 0.24 H new ATOM 0 HG21 VAL A 87 -8.297 -18.547 -0.111 1.00 34.11 H new ATOM 0 HG22 VAL A 87 -6.991 -17.338 -0.055 1.00 34.11 H new ATOM 0 HG23 VAL A 87 -6.624 -19.057 0.221 1.00 34.11 H new ATOM 1308 N ALA A 88 -4.452 -19.007 1.705 1.00 52.44 N ATOM 1309 CA ALA A 88 -3.517 -20.124 1.666 1.00 4.21 C ATOM 1310 C ALA A 88 -2.284 -19.840 2.517 1.00 54.31 C ATOM 1311 O ALA A 88 -1.700 -20.748 3.106 1.00 25.12 O ATOM 1312 CB ALA A 88 -3.112 -20.424 0.231 1.00 73.54 C ATOM 0 H ALA A 88 -4.328 -18.327 0.955 1.00 52.44 H new ATOM 0 HA ALA A 88 -4.018 -20.998 2.081 1.00 4.21 H new ATOM 0 HB1 ALA A 88 -2.413 -21.261 0.217 1.00 73.54 H new ATOM 0 HB2 ALA A 88 -3.997 -20.681 -0.351 1.00 73.54 H new ATOM 0 HB3 ALA A 88 -2.635 -19.546 -0.204 1.00 73.54 H new