USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 680 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 Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -96:sc= 0.884 USER MOD Single : A 20 ASN : amide:sc=-0.00345 X(o=-0.0035,f=0) USER MOD Single : A 22 MET CE :methyl 155:sc= -0.588 (180deg=-1.56) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -178:sc= 0.585 (180deg=0.573) USER MOD Single : A 47 SER OG : rot -59:sc= 0.493 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -133:sc= 0.585 (180deg=-0.13) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00909) USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0604) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -12.692 4.498 -0.732 1.00 20.31 N ATOM 21 CA ARG A 2 -11.573 3.560 -0.537 1.00 51.02 C ATOM 22 C ARG A 2 -10.674 3.674 -1.780 1.00 53.30 C ATOM 23 O ARG A 2 -11.173 3.597 -2.911 1.00 2.41 O ATOM 24 CB ARG A 2 -12.096 2.102 -0.365 1.00 54.30 C ATOM 25 CG ARG A 2 -13.110 1.910 0.793 1.00 52.43 C ATOM 26 CD ARG A 2 -13.726 0.496 0.813 1.00 34.43 C ATOM 27 NE ARG A 2 -14.422 0.180 -0.459 1.00 0.35 N ATOM 28 CZ ARG A 2 -14.280 -0.959 -1.168 1.00 24.44 C ATOM 29 NH1 ARG A 2 -13.471 -1.929 -0.751 1.00 5.43 N ATOM 30 NH2 ARG A 2 -14.942 -1.108 -2.308 1.00 31.10 N ATOM 0 HA ARG A 2 -11.016 3.805 0.368 1.00 51.02 H new ATOM 0 HB2 ARG A 2 -12.565 1.786 -1.297 1.00 54.30 H new ATOM 0 HB3 ARG A 2 -11.245 1.442 -0.197 1.00 54.30 H new ATOM 0 HG2 ARG A 2 -12.611 2.098 1.743 1.00 52.43 H new ATOM 0 HG3 ARG A 2 -13.907 2.648 0.700 1.00 52.43 H new ATOM 0 HD2 ARG A 2 -12.942 -0.240 0.991 1.00 34.43 H new ATOM 0 HD3 ARG A 2 -14.430 0.418 1.642 1.00 34.43 H new ATOM 0 HE ARG A 2 -15.062 0.883 -0.828 1.00 0.35 H new ATOM 0 HH11 ARG A 2 -12.947 -1.818 0.117 1.00 5.43 H new ATOM 0 HH12 ARG A 2 -13.375 -2.784 -1.299 1.00 5.43 H new ATOM 0 HH21 ARG A 2 -15.554 -0.364 -2.644 1.00 31.10 H new ATOM 0 HH22 ARG A 2 -14.839 -1.967 -2.849 1.00 31.10 H new ATOM 44 N ILE A 3 -9.365 3.849 -1.572 1.00 24.04 N ATOM 45 CA ILE A 3 -8.399 4.067 -2.661 1.00 2.23 C ATOM 46 C ILE A 3 -7.772 2.723 -3.059 1.00 40.44 C ATOM 47 O ILE A 3 -7.232 2.017 -2.228 1.00 61.12 O ATOM 48 CB ILE A 3 -7.272 5.088 -2.225 1.00 63.23 C ATOM 49 CG1 ILE A 3 -7.896 6.488 -1.903 1.00 3.15 C ATOM 50 CG2 ILE A 3 -6.156 5.195 -3.294 1.00 62.24 C ATOM 51 CD1 ILE A 3 -6.897 7.576 -1.540 1.00 4.13 C ATOM 0 H ILE A 3 -8.942 3.844 -0.644 1.00 24.04 H new ATOM 0 HA ILE A 3 -8.924 4.494 -3.516 1.00 2.23 H new ATOM 0 HB ILE A 3 -6.805 4.708 -1.316 1.00 63.23 H new ATOM 0 HG12 ILE A 3 -8.471 6.819 -2.768 1.00 3.15 H new ATOM 0 HG13 ILE A 3 -8.599 6.373 -1.078 1.00 3.15 H new ATOM 0 HG21 ILE A 3 -5.399 5.905 -2.960 1.00 62.24 H new ATOM 0 HG22 ILE A 3 -5.697 4.217 -3.440 1.00 62.24 H new ATOM 0 HG23 ILE A 3 -6.585 5.538 -4.235 1.00 62.24 H new ATOM 0 HD11 ILE A 3 -7.429 8.505 -1.335 1.00 4.13 H new ATOM 0 HD12 ILE A 3 -6.338 7.275 -0.654 1.00 4.13 H new ATOM 0 HD13 ILE A 3 -6.207 7.728 -2.370 1.00 4.13 H new ATOM 63 N LYS A 4 -7.847 2.392 -4.351 1.00 50.15 N ATOM 64 CA LYS A 4 -7.331 1.125 -4.888 1.00 52.42 C ATOM 65 C LYS A 4 -5.858 1.323 -5.270 1.00 71.31 C ATOM 66 O LYS A 4 -5.516 2.331 -5.894 1.00 32.44 O ATOM 67 CB LYS A 4 -8.180 0.709 -6.115 1.00 61.23 C ATOM 68 CG LYS A 4 -7.796 -0.645 -6.756 1.00 24.22 C ATOM 69 CD LYS A 4 -8.758 -1.023 -7.907 1.00 63.35 C ATOM 70 CE LYS A 4 -8.453 -2.376 -8.536 1.00 22.44 C ATOM 71 NZ LYS A 4 -9.460 -2.747 -9.563 1.00 51.22 N ATOM 0 H LYS A 4 -8.268 2.995 -5.058 1.00 50.15 H new ATOM 0 HA LYS A 4 -7.398 0.330 -4.145 1.00 52.42 H new ATOM 0 HB2 LYS A 4 -9.227 0.666 -5.814 1.00 61.23 H new ATOM 0 HB3 LYS A 4 -8.098 1.488 -6.873 1.00 61.23 H new ATOM 0 HG2 LYS A 4 -6.776 -0.592 -7.136 1.00 24.22 H new ATOM 0 HG3 LYS A 4 -7.813 -1.426 -5.996 1.00 24.22 H new ATOM 0 HD2 LYS A 4 -9.780 -1.030 -7.528 1.00 63.35 H new ATOM 0 HD3 LYS A 4 -8.709 -0.254 -8.678 1.00 63.35 H new ATOM 0 HE2 LYS A 4 -7.463 -2.350 -8.991 1.00 22.44 H new ATOM 0 HE3 LYS A 4 -8.427 -3.140 -7.759 1.00 22.44 H new ATOM 0 HZ1 LYS A 4 -9.218 -3.674 -9.968 1.00 51.22 H new ATOM 0 HZ2 LYS A 4 -10.402 -2.796 -9.124 1.00 51.22 H new ATOM 0 HZ3 LYS A 4 -9.467 -2.031 -10.317 1.00 51.22 H new ATOM 85 N GLY A 5 -4.995 0.376 -4.866 1.00 71.30 N ATOM 86 CA GLY A 5 -3.550 0.465 -5.109 1.00 52.51 C ATOM 87 C GLY A 5 -2.994 -0.807 -5.723 1.00 42.14 C ATOM 88 O GLY A 5 -3.669 -1.835 -5.735 1.00 64.13 O ATOM 0 H GLY A 5 -5.279 -0.466 -4.365 1.00 71.30 H new ATOM 0 HA2 GLY A 5 -3.346 1.306 -5.772 1.00 52.51 H new ATOM 0 HA3 GLY A 5 -3.037 0.668 -4.169 1.00 52.51 H new ATOM 92 N VAL A 6 -1.754 -0.726 -6.245 1.00 70.21 N ATOM 93 CA VAL A 6 -1.035 -1.865 -6.866 1.00 21.43 C ATOM 94 C VAL A 6 0.357 -2.001 -6.215 1.00 31.22 C ATOM 95 O VAL A 6 1.052 -1.000 -6.037 1.00 4.00 O ATOM 96 CB VAL A 6 -0.863 -1.671 -8.425 1.00 44.31 C ATOM 97 CG1 VAL A 6 -0.143 -2.877 -9.069 1.00 23.25 C ATOM 98 CG2 VAL A 6 -2.216 -1.399 -9.118 1.00 21.13 C ATOM 0 H VAL A 6 -1.215 0.140 -6.249 1.00 70.21 H new ATOM 0 HA VAL A 6 -1.626 -2.766 -6.702 1.00 21.43 H new ATOM 0 HB VAL A 6 -0.235 -0.792 -8.571 1.00 44.31 H new ATOM 0 HG11 VAL A 6 -0.042 -2.710 -10.141 1.00 23.25 H new ATOM 0 HG12 VAL A 6 0.846 -2.990 -8.624 1.00 23.25 H new ATOM 0 HG13 VAL A 6 -0.724 -3.783 -8.896 1.00 23.25 H new ATOM 0 HG21 VAL A 6 -2.057 -1.271 -10.189 1.00 21.13 H new ATOM 0 HG22 VAL A 6 -2.887 -2.241 -8.949 1.00 21.13 H new ATOM 0 HG23 VAL A 6 -2.660 -0.493 -8.706 1.00 21.13 H new ATOM 108 N VAL A 7 0.752 -3.242 -5.879 1.00 23.03 N ATOM 109 CA VAL A 7 2.053 -3.542 -5.247 1.00 73.32 C ATOM 110 C VAL A 7 3.202 -3.341 -6.263 1.00 53.24 C ATOM 111 O VAL A 7 3.278 -4.066 -7.270 1.00 51.41 O ATOM 112 CB VAL A 7 2.082 -5.018 -4.699 1.00 74.31 C ATOM 113 CG1 VAL A 7 3.403 -5.330 -3.950 1.00 72.30 C ATOM 114 CG2 VAL A 7 0.832 -5.327 -3.829 1.00 44.34 C ATOM 0 H VAL A 7 0.177 -4.069 -6.038 1.00 23.03 H new ATOM 0 HA VAL A 7 2.189 -2.856 -4.411 1.00 73.32 H new ATOM 0 HB VAL A 7 2.046 -5.684 -5.561 1.00 74.31 H new ATOM 0 HG11 VAL A 7 3.382 -6.358 -3.588 1.00 72.30 H new ATOM 0 HG12 VAL A 7 4.246 -5.202 -4.629 1.00 72.30 H new ATOM 0 HG13 VAL A 7 3.511 -4.650 -3.105 1.00 72.30 H new ATOM 0 HG21 VAL A 7 0.885 -6.354 -3.468 1.00 44.34 H new ATOM 0 HG22 VAL A 7 0.802 -4.644 -2.980 1.00 44.34 H new ATOM 0 HG23 VAL A 7 -0.069 -5.200 -4.429 1.00 44.34 H new ATOM 124 N LEU A 8 4.071 -2.345 -5.994 1.00 12.12 N ATOM 125 CA LEU A 8 5.227 -2.020 -6.856 1.00 24.03 C ATOM 126 C LEU A 8 6.413 -2.959 -6.560 1.00 75.43 C ATOM 127 O LEU A 8 6.853 -3.719 -7.433 1.00 35.14 O ATOM 128 CB LEU A 8 5.669 -0.534 -6.666 1.00 2.23 C ATOM 129 CG LEU A 8 4.616 0.559 -7.017 1.00 23.24 C ATOM 130 CD1 LEU A 8 5.185 1.977 -6.769 1.00 4.13 C ATOM 131 CD2 LEU A 8 4.091 0.395 -8.463 1.00 21.02 C ATOM 0 H LEU A 8 3.992 -1.744 -5.174 1.00 12.12 H new ATOM 0 HA LEU A 8 4.915 -2.161 -7.891 1.00 24.03 H new ATOM 0 HB2 LEU A 8 5.967 -0.398 -5.626 1.00 2.23 H new ATOM 0 HB3 LEU A 8 6.555 -0.362 -7.277 1.00 2.23 H new ATOM 0 HG LEU A 8 3.763 0.428 -6.352 1.00 23.24 H new ATOM 0 HD11 LEU A 8 4.430 2.721 -7.022 1.00 4.13 H new ATOM 0 HD12 LEU A 8 5.459 2.080 -5.719 1.00 4.13 H new ATOM 0 HD13 LEU A 8 6.067 2.129 -7.391 1.00 4.13 H new ATOM 0 HD21 LEU A 8 3.358 1.174 -8.675 1.00 21.02 H new ATOM 0 HD22 LEU A 8 4.922 0.479 -9.163 1.00 21.02 H new ATOM 0 HD23 LEU A 8 3.622 -0.583 -8.571 1.00 21.02 H new ATOM 143 N SER A 9 6.902 -2.909 -5.309 1.00 62.13 N ATOM 144 CA SER A 9 8.142 -3.599 -4.896 1.00 71.32 C ATOM 145 C SER A 9 8.090 -3.942 -3.400 1.00 44.03 C ATOM 146 O SER A 9 7.310 -3.346 -2.656 1.00 51.24 O ATOM 147 CB SER A 9 9.370 -2.703 -5.205 1.00 41.21 C ATOM 148 OG SER A 9 10.591 -3.349 -4.875 1.00 41.32 O ATOM 0 H SER A 9 6.452 -2.391 -4.555 1.00 62.13 H new ATOM 0 HA SER A 9 8.234 -4.529 -5.457 1.00 71.32 H new ATOM 0 HB2 SER A 9 9.372 -2.441 -6.263 1.00 41.21 H new ATOM 0 HB3 SER A 9 9.289 -1.771 -4.646 1.00 41.21 H new ATOM 0 HG SER A 9 11.342 -2.756 -5.085 1.00 41.32 H new ATOM 154 N TYR A 10 8.934 -4.906 -2.968 1.00 51.34 N ATOM 155 CA TYR A 10 9.041 -5.307 -1.552 1.00 21.23 C ATOM 156 C TYR A 10 10.120 -4.491 -0.824 1.00 50.03 C ATOM 157 O TYR A 10 11.036 -3.937 -1.444 1.00 51.55 O ATOM 158 CB TYR A 10 9.393 -6.814 -1.415 1.00 50.05 C ATOM 159 CG TYR A 10 8.467 -7.762 -2.182 1.00 12.44 C ATOM 160 CD1 TYR A 10 7.089 -7.794 -1.938 1.00 54.32 C ATOM 161 CD2 TYR A 10 8.976 -8.615 -3.163 1.00 74.31 C ATOM 162 CE1 TYR A 10 6.268 -8.651 -2.644 1.00 33.52 C ATOM 163 CE2 TYR A 10 8.161 -9.458 -3.861 1.00 31.12 C ATOM 164 CZ TYR A 10 6.816 -9.473 -3.606 1.00 0.22 C ATOM 165 OH TYR A 10 6.020 -10.314 -4.329 1.00 63.03 O ATOM 0 H TYR A 10 9.556 -5.424 -3.589 1.00 51.34 H new ATOM 0 HA TYR A 10 8.067 -5.117 -1.100 1.00 21.23 H new ATOM 0 HB2 TYR A 10 10.415 -6.967 -1.762 1.00 50.05 H new ATOM 0 HB3 TYR A 10 9.371 -7.083 -0.359 1.00 50.05 H new ATOM 0 HD1 TYR A 10 6.663 -7.142 -1.190 1.00 54.32 H new ATOM 0 HD2 TYR A 10 10.035 -8.608 -3.374 1.00 74.31 H new ATOM 0 HE1 TYR A 10 5.207 -8.677 -2.445 1.00 33.52 H new ATOM 0 HE2 TYR A 10 8.576 -10.112 -4.613 1.00 31.12 H new ATOM 0 HH TYR A 10 6.029 -11.205 -3.920 1.00 63.03 H new ATOM 175 N ARG A 11 9.978 -4.434 0.498 1.00 41.24 N ATOM 176 CA ARG A 11 11.035 -4.032 1.427 1.00 1.10 C ATOM 177 C ARG A 11 10.984 -5.029 2.594 1.00 22.13 C ATOM 178 O ARG A 11 10.032 -5.019 3.386 1.00 12.23 O ATOM 179 CB ARG A 11 10.836 -2.561 1.893 1.00 41.50 C ATOM 180 CG ARG A 11 11.856 -2.052 2.947 1.00 61.55 C ATOM 181 CD ARG A 11 13.324 -2.174 2.488 1.00 31.22 C ATOM 182 NE ARG A 11 13.582 -1.436 1.237 1.00 4.44 N ATOM 183 CZ ARG A 11 14.443 -1.807 0.263 1.00 30.24 C ATOM 184 NH1 ARG A 11 15.168 -2.919 0.367 1.00 12.42 N ATOM 185 NH2 ARG A 11 14.562 -1.061 -0.831 1.00 50.44 N ATOM 0 H ARG A 11 9.103 -4.672 0.966 1.00 41.24 H new ATOM 0 HA ARG A 11 12.017 -4.056 0.955 1.00 1.10 H new ATOM 0 HB2 ARG A 11 10.887 -1.911 1.019 1.00 41.50 H new ATOM 0 HB3 ARG A 11 9.832 -2.461 2.306 1.00 41.50 H new ATOM 0 HG2 ARG A 11 11.640 -1.008 3.176 1.00 61.55 H new ATOM 0 HG3 ARG A 11 11.724 -2.615 3.871 1.00 61.55 H new ATOM 0 HD2 ARG A 11 13.980 -1.796 3.272 1.00 31.22 H new ATOM 0 HD3 ARG A 11 13.571 -3.226 2.345 1.00 31.22 H new ATOM 0 HE ARG A 11 13.065 -0.569 1.094 1.00 4.44 H new ATOM 0 HH11 ARG A 11 15.080 -3.510 1.194 1.00 12.42 H new ATOM 0 HH12 ARG A 11 15.812 -3.180 -0.380 1.00 12.42 H new ATOM 0 HH21 ARG A 11 14.005 -0.213 -0.933 1.00 50.44 H new ATOM 0 HH22 ARG A 11 15.210 -1.337 -1.568 1.00 50.44 H new ATOM 334 N ASN A 20 6.182 -7.096 7.419 1.00 5.23 N ATOM 335 CA ASN A 20 6.886 -6.947 6.136 1.00 10.33 C ATOM 336 C ASN A 20 6.384 -5.689 5.427 1.00 71.45 C ATOM 337 O ASN A 20 5.171 -5.435 5.363 1.00 52.14 O ATOM 338 CB ASN A 20 6.693 -8.202 5.243 1.00 21.31 C ATOM 339 CG ASN A 20 7.393 -8.096 3.875 1.00 72.01 C ATOM 340 OD1 ASN A 20 8.564 -8.445 3.730 1.00 42.14 O ATOM 341 ND2 ASN A 20 6.685 -7.606 2.863 1.00 30.54 N ATOM 0 HA ASN A 20 7.954 -6.847 6.327 1.00 10.33 H new ATOM 0 HB2 ASN A 20 7.075 -9.076 5.771 1.00 21.31 H new ATOM 0 HB3 ASN A 20 5.627 -8.365 5.085 1.00 21.31 H new ATOM 0 HD21 ASN A 20 7.111 -7.512 1.941 1.00 30.54 H new ATOM 0 HD22 ASN A 20 5.716 -7.324 3.008 1.00 30.54 H new ATOM 348 N VAL A 21 7.330 -4.921 4.889 1.00 31.04 N ATOM 349 CA VAL A 21 7.065 -3.638 4.243 1.00 20.13 C ATOM 350 C VAL A 21 6.975 -3.867 2.721 1.00 52.02 C ATOM 351 O VAL A 21 7.584 -4.810 2.201 1.00 1.14 O ATOM 352 CB VAL A 21 8.218 -2.610 4.572 1.00 63.22 C ATOM 353 CG1 VAL A 21 7.809 -1.170 4.223 1.00 24.01 C ATOM 354 CG2 VAL A 21 8.703 -2.728 6.042 1.00 1.25 C ATOM 0 H VAL A 21 8.317 -5.177 4.890 1.00 31.04 H new ATOM 0 HA VAL A 21 6.127 -3.225 4.613 1.00 20.13 H new ATOM 0 HB VAL A 21 9.066 -2.870 3.938 1.00 63.22 H new ATOM 0 HG11 VAL A 21 8.627 -0.491 4.463 1.00 24.01 H new ATOM 0 HG12 VAL A 21 7.583 -1.104 3.159 1.00 24.01 H new ATOM 0 HG13 VAL A 21 6.926 -0.893 4.799 1.00 24.01 H new ATOM 0 HG21 VAL A 21 9.496 -2.002 6.223 1.00 1.25 H new ATOM 0 HG22 VAL A 21 7.870 -2.531 6.717 1.00 1.25 H new ATOM 0 HG23 VAL A 21 9.084 -3.734 6.220 1.00 1.25 H new ATOM 364 N MET A 22 6.189 -3.045 2.014 1.00 14.35 N ATOM 365 CA MET A 22 6.220 -3.004 0.541 1.00 43.21 C ATOM 366 C MET A 22 5.747 -1.640 0.025 1.00 25.34 C ATOM 367 O MET A 22 4.822 -1.032 0.591 1.00 2.22 O ATOM 368 CB MET A 22 5.422 -4.182 -0.101 1.00 72.30 C ATOM 369 CG MET A 22 3.913 -4.233 0.161 1.00 21.15 C ATOM 370 SD MET A 22 3.182 -5.722 -0.564 1.00 23.22 S ATOM 371 CE MET A 22 1.434 -5.500 -0.257 1.00 22.33 C ATOM 0 H MET A 22 5.523 -2.398 2.436 1.00 14.35 H new ATOM 0 HA MET A 22 7.257 -3.136 0.231 1.00 43.21 H new ATOM 0 HB2 MET A 22 5.576 -4.146 -1.179 1.00 72.30 H new ATOM 0 HB3 MET A 22 5.858 -5.117 0.252 1.00 72.30 H new ATOM 0 HG2 MET A 22 3.725 -4.217 1.235 1.00 21.15 H new ATOM 0 HG3 MET A 22 3.437 -3.347 -0.259 1.00 21.15 H new ATOM 0 HE1 MET A 22 0.861 -6.062 -0.994 1.00 22.33 H new ATOM 0 HE2 MET A 22 1.191 -5.860 0.743 1.00 22.33 H new ATOM 0 HE3 MET A 22 1.183 -4.442 -0.332 1.00 22.33 H new ATOM 381 N ILE A 23 6.423 -1.160 -1.034 1.00 3.03 N ATOM 382 CA ILE A 23 6.073 0.083 -1.726 1.00 14.22 C ATOM 383 C ILE A 23 4.857 -0.181 -2.627 1.00 72.30 C ATOM 384 O ILE A 23 4.902 -1.050 -3.506 1.00 65.41 O ATOM 385 CB ILE A 23 7.276 0.641 -2.585 1.00 61.44 C ATOM 386 CG1 ILE A 23 8.562 0.824 -1.713 1.00 23.44 C ATOM 387 CG2 ILE A 23 6.902 1.971 -3.293 1.00 71.34 C ATOM 388 CD1 ILE A 23 8.434 1.800 -0.550 1.00 54.45 C ATOM 0 H ILE A 23 7.234 -1.632 -1.433 1.00 3.03 H new ATOM 0 HA ILE A 23 5.836 0.841 -0.979 1.00 14.22 H new ATOM 0 HB ILE A 23 7.491 -0.100 -3.355 1.00 61.44 H new ATOM 0 HG12 ILE A 23 8.853 -0.149 -1.317 1.00 23.44 H new ATOM 0 HG13 ILE A 23 9.373 1.161 -2.359 1.00 23.44 H new ATOM 0 HG21 ILE A 23 7.753 2.325 -3.875 1.00 71.34 H new ATOM 0 HG22 ILE A 23 6.053 1.804 -3.956 1.00 71.34 H new ATOM 0 HG23 ILE A 23 6.636 2.719 -2.546 1.00 71.34 H new ATOM 0 HD11 ILE A 23 9.381 1.852 -0.012 1.00 54.45 H new ATOM 0 HD12 ILE A 23 8.179 2.789 -0.931 1.00 54.45 H new ATOM 0 HD13 ILE A 23 7.651 1.459 0.127 1.00 54.45 H new ATOM 400 N ILE A 24 3.775 0.557 -2.370 1.00 4.20 N ATOM 401 CA ILE A 24 2.501 0.446 -3.100 1.00 32.52 C ATOM 402 C ILE A 24 2.240 1.766 -3.848 1.00 11.42 C ATOM 403 O ILE A 24 2.657 2.823 -3.396 1.00 52.14 O ATOM 404 CB ILE A 24 1.321 0.137 -2.094 1.00 61.35 C ATOM 405 CG1 ILE A 24 1.584 -1.202 -1.327 1.00 43.22 C ATOM 406 CG2 ILE A 24 -0.060 0.112 -2.799 1.00 42.25 C ATOM 407 CD1 ILE A 24 0.568 -1.526 -0.244 1.00 10.43 C ATOM 0 H ILE A 24 3.755 1.264 -1.635 1.00 4.20 H new ATOM 0 HA ILE A 24 2.557 -0.373 -3.817 1.00 32.52 H new ATOM 0 HB ILE A 24 1.292 0.951 -1.370 1.00 61.35 H new ATOM 0 HG12 ILE A 24 1.600 -2.020 -2.047 1.00 43.22 H new ATOM 0 HG13 ILE A 24 2.575 -1.157 -0.874 1.00 43.22 H new ATOM 0 HG21 ILE A 24 -0.838 -0.104 -2.067 1.00 42.25 H new ATOM 0 HG22 ILE A 24 -0.252 1.082 -3.257 1.00 42.25 H new ATOM 0 HG23 ILE A 24 -0.062 -0.660 -3.569 1.00 42.25 H new ATOM 0 HD11 ILE A 24 0.832 -2.470 0.232 1.00 10.43 H new ATOM 0 HD12 ILE A 24 0.566 -0.732 0.502 1.00 10.43 H new ATOM 0 HD13 ILE A 24 -0.424 -1.608 -0.689 1.00 10.43 H new ATOM 419 N LYS A 25 1.581 1.684 -5.013 1.00 74.52 N ATOM 420 CA LYS A 25 1.102 2.852 -5.766 1.00 14.02 C ATOM 421 C LYS A 25 -0.433 2.933 -5.664 1.00 0.54 C ATOM 422 O LYS A 25 -1.127 2.156 -6.326 1.00 61.02 O ATOM 423 CB LYS A 25 1.527 2.753 -7.254 1.00 12.42 C ATOM 424 CG LYS A 25 1.000 3.898 -8.143 1.00 24.41 C ATOM 425 CD LYS A 25 1.436 3.773 -9.618 1.00 4.31 C ATOM 426 CE LYS A 25 0.957 4.948 -10.479 1.00 31.53 C ATOM 427 NZ LYS A 25 1.432 4.825 -11.878 1.00 61.32 N ATOM 0 H LYS A 25 1.363 0.795 -5.464 1.00 74.52 H new ATOM 0 HA LYS A 25 1.545 3.752 -5.340 1.00 14.02 H new ATOM 0 HB2 LYS A 25 2.616 2.738 -7.308 1.00 12.42 H new ATOM 0 HB3 LYS A 25 1.175 1.804 -7.658 1.00 12.42 H new ATOM 0 HG2 LYS A 25 -0.089 3.916 -8.093 1.00 24.41 H new ATOM 0 HG3 LYS A 25 1.353 4.850 -7.746 1.00 24.41 H new ATOM 0 HD2 LYS A 25 2.523 3.712 -9.667 1.00 4.31 H new ATOM 0 HD3 LYS A 25 1.045 2.843 -10.030 1.00 4.31 H new ATOM 0 HE2 LYS A 25 -0.132 4.990 -10.466 1.00 31.53 H new ATOM 0 HE3 LYS A 25 1.317 5.884 -10.052 1.00 31.53 H new ATOM 0 HZ1 LYS A 25 1.091 5.635 -12.433 1.00 61.32 H new ATOM 0 HZ2 LYS A 25 2.472 4.810 -11.891 1.00 61.32 H new ATOM 0 HZ3 LYS A 25 1.067 3.943 -12.292 1.00 61.32 H new ATOM 441 N PRO A 26 -0.993 3.829 -4.798 1.00 62.14 N ATOM 442 CA PRO A 26 -2.422 4.200 -4.868 1.00 51.53 C ATOM 443 C PRO A 26 -2.739 4.839 -6.245 1.00 31.01 C ATOM 444 O PRO A 26 -2.172 5.871 -6.596 1.00 33.31 O ATOM 445 CB PRO A 26 -2.600 5.201 -3.686 1.00 13.11 C ATOM 446 CG PRO A 26 -1.215 5.644 -3.313 1.00 62.41 C ATOM 447 CD PRO A 26 -0.301 4.496 -3.664 1.00 22.01 C ATOM 0 HA PRO A 26 -3.104 3.355 -4.781 1.00 51.53 H new ATOM 0 HB2 PRO A 26 -3.216 6.050 -3.982 1.00 13.11 H new ATOM 0 HB3 PRO A 26 -3.099 4.725 -2.842 1.00 13.11 H new ATOM 0 HG2 PRO A 26 -0.934 6.546 -3.857 1.00 62.41 H new ATOM 0 HG3 PRO A 26 -1.154 5.880 -2.251 1.00 62.41 H new ATOM 0 HD2 PRO A 26 0.691 4.847 -3.950 1.00 22.01 H new ATOM 0 HD3 PRO A 26 -0.168 3.818 -2.821 1.00 22.01 H new ATOM 455 N LEU A 27 -3.601 4.167 -7.033 1.00 13.33 N ATOM 456 CA LEU A 27 -3.981 4.591 -8.406 1.00 43.34 C ATOM 457 C LEU A 27 -4.626 5.993 -8.424 1.00 2.11 C ATOM 458 O LEU A 27 -4.445 6.754 -9.378 1.00 72.24 O ATOM 459 CB LEU A 27 -4.953 3.546 -9.036 1.00 60.14 C ATOM 460 CG LEU A 27 -4.387 2.095 -9.184 1.00 22.00 C ATOM 461 CD1 LEU A 27 -5.455 1.127 -9.749 1.00 40.32 C ATOM 462 CD2 LEU A 27 -3.096 2.084 -10.036 1.00 11.33 C ATOM 0 H LEU A 27 -4.060 3.306 -6.737 1.00 13.33 H new ATOM 0 HA LEU A 27 -3.067 4.645 -8.997 1.00 43.34 H new ATOM 0 HB2 LEU A 27 -5.856 3.504 -8.427 1.00 60.14 H new ATOM 0 HB3 LEU A 27 -5.251 3.902 -10.022 1.00 60.14 H new ATOM 0 HG LEU A 27 -4.124 1.737 -8.189 1.00 22.00 H new ATOM 0 HD11 LEU A 27 -5.029 0.128 -9.839 1.00 40.32 H new ATOM 0 HD12 LEU A 27 -6.311 1.097 -9.075 1.00 40.32 H new ATOM 0 HD13 LEU A 27 -5.778 1.474 -10.731 1.00 40.32 H new ATOM 0 HD21 LEU A 27 -2.725 1.063 -10.122 1.00 11.33 H new ATOM 0 HD22 LEU A 27 -3.313 2.476 -11.030 1.00 11.33 H new ATOM 0 HD23 LEU A 27 -2.339 2.706 -9.558 1.00 11.33 H new ATOM 474 N ASP A 28 -5.377 6.304 -7.350 1.00 71.44 N ATOM 475 CA ASP A 28 -6.050 7.611 -7.152 1.00 52.03 C ATOM 476 C ASP A 28 -5.034 8.750 -6.890 1.00 51.13 C ATOM 477 O ASP A 28 -5.285 9.905 -7.238 1.00 3.42 O ATOM 478 CB ASP A 28 -7.064 7.500 -5.971 1.00 41.41 C ATOM 479 CG ASP A 28 -7.720 8.841 -5.564 1.00 52.31 C ATOM 480 OD1 ASP A 28 -8.639 9.300 -6.267 1.00 21.11 O ATOM 481 OD2 ASP A 28 -7.311 9.443 -4.545 1.00 73.12 O ATOM 0 H ASP A 28 -5.538 5.650 -6.584 1.00 71.44 H new ATOM 0 HA ASP A 28 -6.582 7.862 -8.069 1.00 52.03 H new ATOM 0 HB2 ASP A 28 -7.848 6.795 -6.246 1.00 41.41 H new ATOM 0 HB3 ASP A 28 -6.550 7.083 -5.105 1.00 41.41 H new ATOM 486 N VAL A 29 -3.877 8.393 -6.322 1.00 50.41 N ATOM 487 CA VAL A 29 -2.873 9.348 -5.810 1.00 13.22 C ATOM 488 C VAL A 29 -1.576 9.297 -6.645 1.00 55.30 C ATOM 489 O VAL A 29 -0.925 8.261 -6.701 1.00 45.44 O ATOM 490 CB VAL A 29 -2.569 9.000 -4.304 1.00 15.31 C ATOM 491 CG1 VAL A 29 -1.280 9.670 -3.776 1.00 30.13 C ATOM 492 CG2 VAL A 29 -3.791 9.322 -3.411 1.00 51.31 C ATOM 0 H VAL A 29 -3.602 7.418 -6.201 1.00 50.41 H new ATOM 0 HA VAL A 29 -3.271 10.360 -5.887 1.00 13.22 H new ATOM 0 HB VAL A 29 -2.384 7.927 -4.258 1.00 15.31 H new ATOM 0 HG11 VAL A 29 -1.126 9.391 -2.734 1.00 30.13 H new ATOM 0 HG12 VAL A 29 -0.428 9.339 -4.370 1.00 30.13 H new ATOM 0 HG13 VAL A 29 -1.376 10.753 -3.852 1.00 30.13 H new ATOM 0 HG21 VAL A 29 -3.560 9.074 -2.375 1.00 51.31 H new ATOM 0 HG22 VAL A 29 -4.027 10.383 -3.486 1.00 51.31 H new ATOM 0 HG23 VAL A 29 -4.648 8.735 -3.742 1.00 51.31 H new ATOM 502 N ASN A 30 -1.202 10.432 -7.278 1.00 61.44 N ATOM 503 CA ASN A 30 0.096 10.571 -8.007 1.00 0.34 C ATOM 504 C ASN A 30 0.967 11.710 -7.423 1.00 21.24 C ATOM 505 O ASN A 30 2.112 11.879 -7.847 1.00 2.31 O ATOM 506 CB ASN A 30 -0.098 10.784 -9.547 1.00 72.11 C ATOM 507 CG ASN A 30 -0.537 9.531 -10.330 1.00 43.05 C ATOM 508 OD1 ASN A 30 -1.253 8.666 -9.826 1.00 64.52 O ATOM 509 ND2 ASN A 30 -0.102 9.421 -11.584 1.00 72.32 N ATOM 0 H ASN A 30 -1.778 11.273 -7.303 1.00 61.44 H new ATOM 0 HA ASN A 30 0.618 9.625 -7.863 1.00 0.34 H new ATOM 0 HB2 ASN A 30 -0.841 11.567 -9.699 1.00 72.11 H new ATOM 0 HB3 ASN A 30 0.839 11.147 -9.969 1.00 72.11 H new ATOM 0 HD21 ASN A 30 -0.362 8.609 -12.144 1.00 72.32 H new ATOM 0 HD22 ASN A 30 0.491 10.149 -11.984 1.00 72.32 H new ATOM 516 N SER A 31 0.438 12.482 -6.456 1.00 22.43 N ATOM 517 CA SER A 31 1.188 13.580 -5.796 1.00 63.25 C ATOM 518 C SER A 31 1.486 13.219 -4.332 1.00 2.54 C ATOM 519 O SER A 31 0.739 12.461 -3.701 1.00 63.42 O ATOM 520 CB SER A 31 0.394 14.906 -5.884 1.00 64.32 C ATOM 521 OG SER A 31 0.203 15.309 -7.234 1.00 51.02 O ATOM 0 H SER A 31 -0.514 12.368 -6.108 1.00 22.43 H new ATOM 0 HA SER A 31 2.137 13.716 -6.315 1.00 63.25 H new ATOM 0 HB2 SER A 31 -0.574 14.785 -5.399 1.00 64.32 H new ATOM 0 HB3 SER A 31 0.927 15.687 -5.342 1.00 64.32 H new ATOM 0 HG SER A 31 -0.303 16.148 -7.256 1.00 51.02 H new ATOM 527 N ARG A 32 2.582 13.798 -3.807 1.00 32.24 N ATOM 528 CA ARG A 32 3.059 13.559 -2.434 1.00 63.14 C ATOM 529 C ARG A 32 2.053 14.057 -1.385 1.00 63.02 C ATOM 530 O ARG A 32 1.918 13.440 -0.341 1.00 73.13 O ATOM 531 CB ARG A 32 4.423 14.260 -2.210 1.00 55.31 C ATOM 532 CG ARG A 32 5.080 13.986 -0.833 1.00 22.51 C ATOM 533 CD ARG A 32 6.445 14.677 -0.669 1.00 54.31 C ATOM 534 NE ARG A 32 7.043 14.388 0.648 1.00 34.13 N ATOM 535 CZ ARG A 32 7.955 13.429 0.896 1.00 1.05 C ATOM 536 NH1 ARG A 32 8.410 12.642 -0.075 1.00 72.41 N ATOM 537 NH2 ARG A 32 8.383 13.231 2.132 1.00 12.42 N ATOM 0 H ARG A 32 3.166 14.451 -4.330 1.00 32.24 H new ATOM 0 HA ARG A 32 3.172 12.482 -2.314 1.00 63.14 H new ATOM 0 HB2 ARG A 32 5.111 13.943 -2.994 1.00 55.31 H new ATOM 0 HB3 ARG A 32 4.285 15.335 -2.323 1.00 55.31 H new ATOM 0 HG2 ARG A 32 4.410 14.326 -0.043 1.00 22.51 H new ATOM 0 HG3 ARG A 32 5.206 12.911 -0.704 1.00 22.51 H new ATOM 0 HD2 ARG A 32 7.120 14.343 -1.457 1.00 54.31 H new ATOM 0 HD3 ARG A 32 6.325 15.754 -0.787 1.00 54.31 H new ATOM 0 HE ARG A 32 6.741 14.962 1.435 1.00 34.13 H new ATOM 0 HH11 ARG A 32 8.068 12.759 -1.029 1.00 72.41 H new ATOM 0 HH12 ARG A 32 9.101 11.921 0.134 1.00 72.41 H new ATOM 0 HH21 ARG A 32 8.022 13.804 2.895 1.00 12.42 H new ATOM 0 HH22 ARG A 32 9.074 12.505 2.322 1.00 12.42 H new ATOM 551 N GLU A 33 1.360 15.178 -1.679 1.00 12.12 N ATOM 552 CA GLU A 33 0.385 15.792 -0.745 1.00 52.25 C ATOM 553 C GLU A 33 -0.845 14.881 -0.565 1.00 43.04 C ATOM 554 O GLU A 33 -1.370 14.729 0.547 1.00 71.32 O ATOM 555 CB GLU A 33 -0.060 17.204 -1.228 1.00 14.24 C ATOM 556 CG GLU A 33 1.087 18.232 -1.421 1.00 42.41 C ATOM 557 CD GLU A 33 1.847 18.089 -2.757 1.00 73.04 C ATOM 558 OE1 GLU A 33 1.418 18.698 -3.758 1.00 64.35 O ATOM 559 OE2 GLU A 33 2.866 17.372 -2.818 1.00 51.43 O ATOM 0 H GLU A 33 1.457 15.681 -2.561 1.00 12.12 H new ATOM 0 HA GLU A 33 0.884 15.907 0.217 1.00 52.25 H new ATOM 0 HB2 GLU A 33 -0.591 17.096 -2.174 1.00 14.24 H new ATOM 0 HB3 GLU A 33 -0.771 17.609 -0.508 1.00 14.24 H new ATOM 0 HG2 GLU A 33 0.672 19.238 -1.358 1.00 42.41 H new ATOM 0 HG3 GLU A 33 1.796 18.127 -0.600 1.00 42.41 H new ATOM 566 N GLU A 34 -1.261 14.259 -1.679 1.00 54.31 N ATOM 567 CA GLU A 34 -2.367 13.285 -1.704 1.00 2.44 C ATOM 568 C GLU A 34 -1.966 12.008 -0.934 1.00 23.15 C ATOM 569 O GLU A 34 -2.806 11.341 -0.342 1.00 2.00 O ATOM 570 CB GLU A 34 -2.736 12.922 -3.160 1.00 15.31 C ATOM 571 CG GLU A 34 -2.969 14.105 -4.106 1.00 70.52 C ATOM 572 CD GLU A 34 -3.404 13.651 -5.507 1.00 31.35 C ATOM 573 OE1 GLU A 34 -2.586 13.023 -6.214 1.00 3.21 O ATOM 574 OE2 GLU A 34 -4.571 13.879 -5.887 1.00 72.30 O ATOM 0 H GLU A 34 -0.838 14.417 -2.594 1.00 54.31 H new ATOM 0 HA GLU A 34 -3.235 13.736 -1.224 1.00 2.44 H new ATOM 0 HB2 GLU A 34 -1.939 12.303 -3.573 1.00 15.31 H new ATOM 0 HB3 GLU A 34 -3.639 12.311 -3.144 1.00 15.31 H new ATOM 0 HG2 GLU A 34 -3.732 14.760 -3.685 1.00 70.52 H new ATOM 0 HG3 GLU A 34 -2.053 14.691 -4.184 1.00 70.52 H new ATOM 581 N ALA A 35 -0.660 11.691 -0.977 1.00 11.13 N ATOM 582 CA ALA A 35 -0.066 10.547 -0.262 1.00 71.52 C ATOM 583 C ALA A 35 0.247 10.908 1.211 1.00 64.52 C ATOM 584 O ALA A 35 0.309 10.027 2.074 1.00 62.31 O ATOM 585 CB ALA A 35 1.201 10.085 -1.008 1.00 25.30 C ATOM 0 H ALA A 35 0.020 12.228 -1.515 1.00 11.13 H new ATOM 0 HA ALA A 35 -0.784 9.727 -0.241 1.00 71.52 H new ATOM 0 HB1 ALA A 35 1.644 9.239 -0.483 1.00 25.30 H new ATOM 0 HB2 ALA A 35 0.937 9.785 -2.022 1.00 25.30 H new ATOM 0 HB3 ALA A 35 1.919 10.904 -1.047 1.00 25.30 H new ATOM 591 N SER A 36 0.407 12.214 1.489 1.00 0.53 N ATOM 592 CA SER A 36 0.800 12.730 2.820 1.00 64.35 C ATOM 593 C SER A 36 -0.414 12.755 3.754 1.00 13.54 C ATOM 594 O SER A 36 -0.272 12.665 4.975 1.00 63.15 O ATOM 595 CB SER A 36 1.419 14.141 2.690 1.00 51.31 C ATOM 596 OG SER A 36 1.914 14.625 3.929 1.00 12.04 O ATOM 0 H SER A 36 0.267 12.948 0.795 1.00 0.53 H new ATOM 0 HA SER A 36 1.552 12.066 3.247 1.00 64.35 H new ATOM 0 HB2 SER A 36 2.230 14.115 1.962 1.00 51.31 H new ATOM 0 HB3 SER A 36 0.668 14.831 2.306 1.00 51.31 H new ATOM 0 HG SER A 36 2.298 15.518 3.802 1.00 12.04 H new ATOM 602 N LYS A 37 -1.619 12.895 3.165 1.00 72.44 N ATOM 603 CA LYS A 37 -2.883 12.730 3.906 1.00 71.40 C ATOM 604 C LYS A 37 -3.231 11.233 4.069 1.00 23.14 C ATOM 605 O LYS A 37 -4.168 10.888 4.792 1.00 12.22 O ATOM 606 CB LYS A 37 -4.043 13.495 3.211 1.00 30.32 C ATOM 607 CG LYS A 37 -4.438 12.965 1.816 1.00 60.31 C ATOM 608 CD LYS A 37 -5.573 13.782 1.152 1.00 61.52 C ATOM 609 CE LYS A 37 -6.870 13.781 1.981 1.00 74.45 C ATOM 610 NZ LYS A 37 -7.946 14.596 1.347 1.00 74.31 N ATOM 0 H LYS A 37 -1.742 13.122 2.178 1.00 72.44 H new ATOM 0 HA LYS A 37 -2.748 13.158 4.899 1.00 71.40 H new ATOM 0 HB2 LYS A 37 -4.920 13.458 3.858 1.00 30.32 H new ATOM 0 HB3 LYS A 37 -3.760 14.543 3.117 1.00 30.32 H new ATOM 0 HG2 LYS A 37 -3.562 12.979 1.168 1.00 60.31 H new ATOM 0 HG3 LYS A 37 -4.752 11.925 1.905 1.00 60.31 H new ATOM 0 HD2 LYS A 37 -5.239 14.810 1.009 1.00 61.52 H new ATOM 0 HD3 LYS A 37 -5.779 13.373 0.163 1.00 61.52 H new ATOM 0 HE2 LYS A 37 -7.219 12.756 2.105 1.00 74.45 H new ATOM 0 HE3 LYS A 37 -6.662 14.170 2.978 1.00 74.45 H new ATOM 0 HZ1 LYS A 37 -8.800 14.566 1.940 1.00 74.31 H new ATOM 0 HZ2 LYS A 37 -7.625 15.581 1.252 1.00 74.31 H new ATOM 0 HZ3 LYS A 37 -8.165 14.211 0.406 1.00 74.31 H new ATOM 624 N LEU A 38 -2.474 10.349 3.373 1.00 20.02 N ATOM 625 CA LEU A 38 -2.631 8.888 3.488 1.00 63.50 C ATOM 626 C LEU A 38 -1.744 8.298 4.603 1.00 64.52 C ATOM 627 O LEU A 38 -1.820 7.090 4.862 1.00 44.22 O ATOM 628 CB LEU A 38 -2.344 8.161 2.137 1.00 2.10 C ATOM 629 CG LEU A 38 -3.347 8.413 0.972 1.00 61.22 C ATOM 630 CD1 LEU A 38 -3.016 7.519 -0.251 1.00 11.12 C ATOM 631 CD2 LEU A 38 -4.808 8.233 1.441 1.00 20.22 C ATOM 0 H LEU A 38 -1.743 10.633 2.721 1.00 20.02 H new ATOM 0 HA LEU A 38 -3.674 8.716 3.754 1.00 63.50 H new ATOM 0 HB2 LEU A 38 -1.351 8.455 1.798 1.00 2.10 H new ATOM 0 HB3 LEU A 38 -2.311 7.089 2.330 1.00 2.10 H new ATOM 0 HG LEU A 38 -3.240 9.450 0.653 1.00 61.22 H new ATOM 0 HD11 LEU A 38 -3.732 7.715 -1.049 1.00 11.12 H new ATOM 0 HD12 LEU A 38 -2.009 7.743 -0.603 1.00 11.12 H new ATOM 0 HD13 LEU A 38 -3.074 6.470 0.039 1.00 11.12 H new ATOM 0 HD21 LEU A 38 -5.484 8.416 0.605 1.00 20.22 H new ATOM 0 HD22 LEU A 38 -4.950 7.216 1.807 1.00 20.22 H new ATOM 0 HD23 LEU A 38 -5.023 8.940 2.242 1.00 20.22 H new ATOM 643 N ILE A 39 -0.916 9.136 5.258 1.00 2.14 N ATOM 644 CA ILE A 39 -0.113 8.708 6.422 1.00 25.15 C ATOM 645 C ILE A 39 -1.060 8.305 7.573 1.00 25.02 C ATOM 646 O ILE A 39 -1.736 9.164 8.154 1.00 63.42 O ATOM 647 CB ILE A 39 0.889 9.831 6.913 1.00 64.41 C ATOM 648 CG1 ILE A 39 1.833 10.293 5.756 1.00 51.13 C ATOM 649 CG2 ILE A 39 1.721 9.361 8.142 1.00 3.20 C ATOM 650 CD1 ILE A 39 2.665 9.193 5.134 1.00 31.22 C ATOM 0 H ILE A 39 -0.785 10.114 5.001 1.00 2.14 H new ATOM 0 HA ILE A 39 0.492 7.856 6.113 1.00 25.15 H new ATOM 0 HB ILE A 39 0.286 10.684 7.224 1.00 64.41 H new ATOM 0 HG12 ILE A 39 1.228 10.756 4.976 1.00 51.13 H new ATOM 0 HG13 ILE A 39 2.503 11.063 6.139 1.00 51.13 H new ATOM 0 HG21 ILE A 39 2.397 10.158 8.450 1.00 3.20 H new ATOM 0 HG22 ILE A 39 1.049 9.117 8.965 1.00 3.20 H new ATOM 0 HG23 ILE A 39 2.300 8.478 7.873 1.00 3.20 H new ATOM 0 HD11 ILE A 39 3.287 9.611 4.342 1.00 31.22 H new ATOM 0 HD12 ILE A 39 3.302 8.743 5.896 1.00 31.22 H new ATOM 0 HD13 ILE A 39 2.007 8.432 4.715 1.00 31.22 H new ATOM 662 N GLY A 40 -1.147 6.988 7.836 1.00 72.32 N ATOM 663 CA GLY A 40 -1.948 6.452 8.939 1.00 43.11 C ATOM 664 C GLY A 40 -3.206 5.709 8.494 1.00 61.44 C ATOM 665 O GLY A 40 -3.997 5.296 9.346 1.00 33.41 O ATOM 0 H GLY A 40 -0.665 6.274 7.290 1.00 72.32 H new ATOM 0 HA2 GLY A 40 -1.329 5.775 9.528 1.00 43.11 H new ATOM 0 HA3 GLY A 40 -2.237 7.272 9.596 1.00 43.11 H new ATOM 669 N ARG A 41 -3.405 5.517 7.167 1.00 65.35 N ATOM 670 CA ARG A 41 -4.619 4.830 6.642 1.00 74.43 C ATOM 671 C ARG A 41 -4.445 3.302 6.648 1.00 3.31 C ATOM 672 O ARG A 41 -3.320 2.797 6.647 1.00 53.43 O ATOM 673 CB ARG A 41 -4.989 5.318 5.216 1.00 5.53 C ATOM 674 CG ARG A 41 -5.112 6.847 5.072 1.00 63.53 C ATOM 675 CD ARG A 41 -6.054 7.514 6.084 1.00 22.31 C ATOM 676 NE ARG A 41 -5.997 8.981 5.975 1.00 44.22 N ATOM 677 CZ ARG A 41 -6.625 9.851 6.786 1.00 4.41 C ATOM 678 NH1 ARG A 41 -7.387 9.430 7.788 1.00 73.30 N ATOM 679 NH2 ARG A 41 -6.449 11.147 6.606 1.00 13.54 N ATOM 0 H ARG A 41 -2.752 5.822 6.446 1.00 65.35 H new ATOM 0 HA ARG A 41 -5.439 5.090 7.311 1.00 74.43 H new ATOM 0 HB2 ARG A 41 -4.233 4.960 4.517 1.00 5.53 H new ATOM 0 HB3 ARG A 41 -5.935 4.862 4.924 1.00 5.53 H new ATOM 0 HG2 ARG A 41 -4.121 7.289 5.174 1.00 63.53 H new ATOM 0 HG3 ARG A 41 -5.461 7.076 4.065 1.00 63.53 H new ATOM 0 HD2 ARG A 41 -7.075 7.173 5.914 1.00 22.31 H new ATOM 0 HD3 ARG A 41 -5.781 7.211 7.095 1.00 22.31 H new ATOM 0 HE ARG A 41 -5.433 9.371 5.220 1.00 44.22 H new ATOM 0 HH11 ARG A 41 -7.505 8.431 7.954 1.00 73.30 H new ATOM 0 HH12 ARG A 41 -7.855 10.106 8.392 1.00 73.30 H new ATOM 0 HH21 ARG A 41 -5.841 11.480 5.857 1.00 13.54 H new ATOM 0 HH22 ARG A 41 -6.921 11.815 7.215 1.00 13.54 H new ATOM 693 N LEU A 42 -5.586 2.589 6.607 1.00 74.34 N ATOM 694 CA LEU A 42 -5.650 1.124 6.694 1.00 20.30 C ATOM 695 C LEU A 42 -5.585 0.529 5.284 1.00 53.25 C ATOM 696 O LEU A 42 -6.462 0.776 4.463 1.00 10.34 O ATOM 697 CB LEU A 42 -6.975 0.693 7.385 1.00 10.04 C ATOM 698 CG LEU A 42 -7.208 -0.846 7.553 1.00 75.51 C ATOM 699 CD1 LEU A 42 -6.158 -1.485 8.488 1.00 70.51 C ATOM 700 CD2 LEU A 42 -8.653 -1.140 8.014 1.00 62.41 C ATOM 0 H LEU A 42 -6.503 3.025 6.511 1.00 74.34 H new ATOM 0 HA LEU A 42 -4.808 0.759 7.283 1.00 20.30 H new ATOM 0 HB2 LEU A 42 -7.010 1.153 8.373 1.00 10.04 H new ATOM 0 HB3 LEU A 42 -7.807 1.103 6.813 1.00 10.04 H new ATOM 0 HG LEU A 42 -7.077 -1.311 6.576 1.00 75.51 H new ATOM 0 HD11 LEU A 42 -6.354 -2.553 8.579 1.00 70.51 H new ATOM 0 HD12 LEU A 42 -5.161 -1.333 8.074 1.00 70.51 H new ATOM 0 HD13 LEU A 42 -6.217 -1.020 9.472 1.00 70.51 H new ATOM 0 HD21 LEU A 42 -8.788 -2.216 8.123 1.00 62.41 H new ATOM 0 HD22 LEU A 42 -8.836 -0.652 8.972 1.00 62.41 H new ATOM 0 HD23 LEU A 42 -9.356 -0.759 7.273 1.00 62.41 H new ATOM 712 N VAL A 43 -4.534 -0.248 5.010 1.00 44.12 N ATOM 713 CA VAL A 43 -4.318 -0.879 3.700 1.00 40.23 C ATOM 714 C VAL A 43 -4.591 -2.386 3.814 1.00 63.31 C ATOM 715 O VAL A 43 -3.918 -3.085 4.570 1.00 41.53 O ATOM 716 CB VAL A 43 -2.852 -0.630 3.187 1.00 32.42 C ATOM 717 CG1 VAL A 43 -2.668 -1.168 1.754 1.00 43.34 C ATOM 718 CG2 VAL A 43 -2.477 0.865 3.277 1.00 52.30 C ATOM 0 H VAL A 43 -3.805 -0.460 5.691 1.00 44.12 H new ATOM 0 HA VAL A 43 -5.003 -0.435 2.978 1.00 40.23 H new ATOM 0 HB VAL A 43 -2.172 -1.180 3.837 1.00 32.42 H new ATOM 0 HG11 VAL A 43 -1.646 -0.983 1.424 1.00 43.34 H new ATOM 0 HG12 VAL A 43 -2.865 -2.240 1.740 1.00 43.34 H new ATOM 0 HG13 VAL A 43 -3.363 -0.662 1.083 1.00 43.34 H new ATOM 0 HG21 VAL A 43 -1.458 1.007 2.916 1.00 52.30 H new ATOM 0 HG22 VAL A 43 -3.164 1.450 2.665 1.00 52.30 H new ATOM 0 HG23 VAL A 43 -2.544 1.195 4.314 1.00 52.30 H new ATOM 728 N LEU A 44 -5.600 -2.868 3.081 1.00 11.41 N ATOM 729 CA LEU A 44 -6.010 -4.277 3.089 1.00 15.13 C ATOM 730 C LEU A 44 -5.452 -4.983 1.838 1.00 21.31 C ATOM 731 O LEU A 44 -5.953 -4.764 0.733 1.00 12.02 O ATOM 732 CB LEU A 44 -7.568 -4.364 3.137 1.00 75.22 C ATOM 733 CG LEU A 44 -8.260 -3.696 4.373 1.00 4.32 C ATOM 734 CD1 LEU A 44 -9.796 -3.863 4.316 1.00 13.31 C ATOM 735 CD2 LEU A 44 -7.687 -4.233 5.703 1.00 22.00 C ATOM 0 H LEU A 44 -6.161 -2.286 2.459 1.00 11.41 H new ATOM 0 HA LEU A 44 -5.610 -4.777 3.971 1.00 15.13 H new ATOM 0 HB2 LEU A 44 -7.965 -3.904 2.232 1.00 75.22 H new ATOM 0 HB3 LEU A 44 -7.853 -5.416 3.111 1.00 75.22 H new ATOM 0 HG LEU A 44 -8.042 -2.629 4.331 1.00 4.32 H new ATOM 0 HD11 LEU A 44 -10.246 -3.388 5.188 1.00 13.31 H new ATOM 0 HD12 LEU A 44 -10.180 -3.395 3.410 1.00 13.31 H new ATOM 0 HD13 LEU A 44 -10.047 -4.924 4.310 1.00 13.31 H new ATOM 0 HD21 LEU A 44 -8.191 -3.747 6.539 1.00 22.00 H new ATOM 0 HD22 LEU A 44 -7.847 -5.310 5.760 1.00 22.00 H new ATOM 0 HD23 LEU A 44 -6.619 -4.022 5.751 1.00 22.00 H new ATOM 747 N TRP A 45 -4.392 -5.799 2.011 1.00 31.23 N ATOM 748 CA TRP A 45 -3.803 -6.579 0.902 1.00 62.23 C ATOM 749 C TRP A 45 -4.459 -7.959 0.842 1.00 14.40 C ATOM 750 O TRP A 45 -4.723 -8.582 1.869 1.00 71.03 O ATOM 751 CB TRP A 45 -2.267 -6.735 1.060 1.00 61.32 C ATOM 752 CG TRP A 45 -1.621 -7.663 0.036 1.00 73.20 C ATOM 753 CD1 TRP A 45 -1.582 -7.507 -1.328 1.00 12.25 C ATOM 754 CD2 TRP A 45 -0.936 -8.896 0.306 1.00 11.12 C ATOM 755 NE1 TRP A 45 -0.930 -8.567 -1.906 1.00 15.25 N ATOM 756 CE2 TRP A 45 -0.517 -9.426 -0.923 1.00 12.30 C ATOM 757 CE3 TRP A 45 -0.636 -9.592 1.476 1.00 21.42 C ATOM 758 CZ2 TRP A 45 0.182 -10.631 -1.015 1.00 23.43 C ATOM 759 CZ3 TRP A 45 0.057 -10.784 1.387 1.00 64.53 C ATOM 760 CH2 TRP A 45 0.466 -11.292 0.147 1.00 72.13 C ATOM 0 H TRP A 45 -3.926 -5.935 2.908 1.00 31.23 H new ATOM 0 HA TRP A 45 -3.988 -6.037 -0.025 1.00 62.23 H new ATOM 0 HB2 TRP A 45 -1.804 -5.751 0.984 1.00 61.32 H new ATOM 0 HB3 TRP A 45 -2.053 -7.112 2.060 1.00 61.32 H new ATOM 0 HD1 TRP A 45 -2.003 -6.671 -1.867 1.00 12.25 H new ATOM 0 HE1 TRP A 45 -0.778 -8.694 -2.906 1.00 15.25 H new ATOM 0 HE3 TRP A 45 -0.941 -9.205 2.437 1.00 21.42 H new ATOM 0 HZ2 TRP A 45 0.488 -11.027 -1.972 1.00 23.43 H new ATOM 0 HZ3 TRP A 45 0.287 -11.333 2.288 1.00 64.53 H new ATOM 0 HH2 TRP A 45 1.015 -12.221 0.109 1.00 72.13 H new ATOM 771 N LYS A 46 -4.671 -8.426 -0.383 1.00 34.53 N ATOM 772 CA LYS A 46 -5.259 -9.724 -0.667 1.00 73.35 C ATOM 773 C LYS A 46 -4.142 -10.695 -1.088 1.00 60.31 C ATOM 774 O LYS A 46 -3.558 -10.551 -2.166 1.00 43.44 O ATOM 775 CB LYS A 46 -6.310 -9.562 -1.785 1.00 61.33 C ATOM 776 CG LYS A 46 -6.957 -10.879 -2.261 1.00 62.34 C ATOM 777 CD LYS A 46 -7.878 -10.680 -3.485 1.00 44.03 C ATOM 778 CE LYS A 46 -7.165 -10.004 -4.679 1.00 71.30 C ATOM 779 NZ LYS A 46 -5.881 -10.673 -5.017 1.00 72.32 N ATOM 0 H LYS A 46 -4.433 -7.899 -1.223 1.00 34.53 H new ATOM 0 HA LYS A 46 -5.754 -10.128 0.216 1.00 73.35 H new ATOM 0 HB2 LYS A 46 -7.096 -8.895 -1.431 1.00 61.33 H new ATOM 0 HB3 LYS A 46 -5.839 -9.076 -2.639 1.00 61.33 H new ATOM 0 HG2 LYS A 46 -6.174 -11.594 -2.513 1.00 62.34 H new ATOM 0 HG3 LYS A 46 -7.534 -11.312 -1.444 1.00 62.34 H new ATOM 0 HD2 LYS A 46 -8.265 -11.648 -3.802 1.00 44.03 H new ATOM 0 HD3 LYS A 46 -8.736 -10.075 -3.192 1.00 44.03 H new ATOM 0 HE2 LYS A 46 -7.822 -10.020 -5.549 1.00 71.30 H new ATOM 0 HE3 LYS A 46 -6.976 -8.957 -4.442 1.00 71.30 H new ATOM 0 HZ1 LYS A 46 -5.421 -10.166 -5.800 1.00 72.32 H new ATOM 0 HZ2 LYS A 46 -5.256 -10.665 -4.186 1.00 72.32 H new ATOM 0 HZ3 LYS A 46 -6.066 -11.656 -5.302 1.00 72.32 H new ATOM 793 N SER A 47 -3.831 -11.658 -0.205 1.00 2.01 N ATOM 794 CA SER A 47 -2.862 -12.735 -0.476 1.00 33.45 C ATOM 795 C SER A 47 -3.309 -13.596 -1.697 1.00 3.34 C ATOM 796 O SER A 47 -4.488 -13.564 -2.072 1.00 43.42 O ATOM 797 CB SER A 47 -2.704 -13.608 0.804 1.00 74.41 C ATOM 798 OG SER A 47 -3.923 -14.248 1.153 1.00 12.32 O ATOM 0 H SER A 47 -4.248 -11.712 0.724 1.00 2.01 H new ATOM 0 HA SER A 47 -1.897 -12.298 -0.731 1.00 33.45 H new ATOM 0 HB2 SER A 47 -1.932 -14.359 0.640 1.00 74.41 H new ATOM 0 HB3 SER A 47 -2.370 -12.983 1.632 1.00 74.41 H new ATOM 0 HG SER A 47 -4.613 -13.571 1.314 1.00 12.32 H new ATOM 804 N PRO A 48 -2.378 -14.373 -2.345 1.00 24.45 N ATOM 805 CA PRO A 48 -2.734 -15.317 -3.455 1.00 71.35 C ATOM 806 C PRO A 48 -3.721 -16.416 -3.006 1.00 33.22 C ATOM 807 O PRO A 48 -4.417 -17.017 -3.832 1.00 32.25 O ATOM 808 CB PRO A 48 -1.361 -15.922 -3.856 1.00 42.32 C ATOM 809 CG PRO A 48 -0.498 -15.722 -2.647 1.00 24.30 C ATOM 810 CD PRO A 48 -0.908 -14.379 -2.097 1.00 41.11 C ATOM 0 HA PRO A 48 -3.246 -14.815 -4.276 1.00 71.35 H new ATOM 0 HB2 PRO A 48 -1.451 -16.978 -4.110 1.00 42.32 H new ATOM 0 HB3 PRO A 48 -0.945 -15.419 -4.729 1.00 42.32 H new ATOM 0 HG2 PRO A 48 -0.654 -16.514 -1.914 1.00 24.30 H new ATOM 0 HG3 PRO A 48 0.560 -15.735 -2.910 1.00 24.30 H new ATOM 0 HD2 PRO A 48 -0.674 -14.284 -1.037 1.00 41.11 H new ATOM 0 HD3 PRO A 48 -0.405 -13.559 -2.609 1.00 41.11 H new ATOM 818 N SER A 49 -3.763 -16.663 -1.684 1.00 3.15 N ATOM 819 CA SER A 49 -4.682 -17.625 -1.055 1.00 64.20 C ATOM 820 C SER A 49 -6.115 -17.052 -0.929 1.00 43.43 C ATOM 821 O SER A 49 -7.043 -17.764 -0.521 1.00 23.41 O ATOM 822 CB SER A 49 -4.120 -18.018 0.324 1.00 25.24 C ATOM 823 OG SER A 49 -2.796 -18.524 0.212 1.00 63.41 O ATOM 0 H SER A 49 -3.152 -16.194 -1.016 1.00 3.15 H new ATOM 0 HA SER A 49 -4.756 -18.510 -1.687 1.00 64.20 H new ATOM 0 HB2 SER A 49 -4.126 -17.150 0.983 1.00 25.24 H new ATOM 0 HB3 SER A 49 -4.763 -18.770 0.781 1.00 25.24 H new ATOM 0 HG SER A 49 -2.461 -18.765 1.101 1.00 63.41 H new ATOM 829 N GLY A 50 -6.272 -15.753 -1.262 1.00 11.14 N ATOM 830 CA GLY A 50 -7.574 -15.076 -1.265 1.00 32.40 C ATOM 831 C GLY A 50 -7.926 -14.465 0.084 1.00 21.01 C ATOM 832 O GLY A 50 -9.022 -13.914 0.257 1.00 64.55 O ATOM 0 H GLY A 50 -5.496 -15.150 -1.535 1.00 11.14 H new ATOM 0 HA2 GLY A 50 -7.569 -14.293 -2.023 1.00 32.40 H new ATOM 0 HA3 GLY A 50 -8.348 -15.789 -1.549 1.00 32.40 H new ATOM 836 N LYS A 51 -6.985 -14.563 1.037 1.00 72.44 N ATOM 837 CA LYS A 51 -7.142 -14.045 2.404 1.00 13.41 C ATOM 838 C LYS A 51 -6.738 -12.564 2.424 1.00 65.25 C ATOM 839 O LYS A 51 -5.970 -12.124 1.570 1.00 41.51 O ATOM 840 CB LYS A 51 -6.271 -14.877 3.385 1.00 22.24 C ATOM 841 CG LYS A 51 -6.418 -16.406 3.227 1.00 61.34 C ATOM 842 CD LYS A 51 -7.868 -16.917 3.428 1.00 32.41 C ATOM 843 CE LYS A 51 -8.058 -18.381 2.974 1.00 74.03 C ATOM 844 NZ LYS A 51 -7.172 -19.330 3.708 1.00 21.42 N ATOM 0 H LYS A 51 -6.082 -15.010 0.877 1.00 72.44 H new ATOM 0 HA LYS A 51 -8.181 -14.131 2.722 1.00 13.41 H new ATOM 0 HB2 LYS A 51 -5.225 -14.608 3.241 1.00 22.24 H new ATOM 0 HB3 LYS A 51 -6.533 -14.602 4.407 1.00 22.24 H new ATOM 0 HG2 LYS A 51 -6.075 -16.694 2.233 1.00 61.34 H new ATOM 0 HG3 LYS A 51 -5.765 -16.901 3.946 1.00 61.34 H new ATOM 0 HD2 LYS A 51 -8.135 -16.831 4.481 1.00 32.41 H new ATOM 0 HD3 LYS A 51 -8.554 -16.278 2.872 1.00 32.41 H new ATOM 0 HE2 LYS A 51 -9.098 -18.672 3.123 1.00 74.03 H new ATOM 0 HE3 LYS A 51 -7.857 -18.455 1.905 1.00 74.03 H new ATOM 0 HZ1 LYS A 51 -7.340 -20.297 3.365 1.00 21.42 H new ATOM 0 HZ2 LYS A 51 -6.178 -19.073 3.546 1.00 21.42 H new ATOM 0 HZ3 LYS A 51 -7.380 -19.283 4.726 1.00 21.42 H new ATOM 858 N ILE A 52 -7.244 -11.803 3.398 1.00 61.01 N ATOM 859 CA ILE A 52 -7.009 -10.341 3.473 1.00 25.10 C ATOM 860 C ILE A 52 -6.246 -9.987 4.760 1.00 62.25 C ATOM 861 O ILE A 52 -6.760 -10.177 5.868 1.00 44.14 O ATOM 862 CB ILE A 52 -8.369 -9.542 3.391 1.00 61.43 C ATOM 863 CG1 ILE A 52 -9.089 -9.841 2.031 1.00 2.41 C ATOM 864 CG2 ILE A 52 -8.161 -8.015 3.598 1.00 22.44 C ATOM 865 CD1 ILE A 52 -10.457 -9.200 1.872 1.00 51.34 C ATOM 0 H ILE A 52 -7.823 -12.169 4.154 1.00 61.01 H new ATOM 0 HA ILE A 52 -6.400 -10.050 2.617 1.00 25.10 H new ATOM 0 HB ILE A 52 -9.008 -9.883 4.206 1.00 61.43 H new ATOM 0 HG12 ILE A 52 -8.449 -9.502 1.217 1.00 2.41 H new ATOM 0 HG13 ILE A 52 -9.196 -10.920 1.924 1.00 2.41 H new ATOM 0 HG21 ILE A 52 -9.122 -7.505 3.534 1.00 22.44 H new ATOM 0 HG22 ILE A 52 -7.721 -7.837 4.579 1.00 22.44 H new ATOM 0 HG23 ILE A 52 -7.494 -7.631 2.826 1.00 22.44 H new ATOM 0 HD11 ILE A 52 -10.873 -9.466 0.900 1.00 51.34 H new ATOM 0 HD12 ILE A 52 -11.120 -9.557 2.660 1.00 51.34 H new ATOM 0 HD13 ILE A 52 -10.361 -8.116 1.942 1.00 51.34 H new ATOM 877 N LEU A 53 -5.005 -9.496 4.595 1.00 62.53 N ATOM 878 CA LEU A 53 -4.187 -8.972 5.700 1.00 42.00 C ATOM 879 C LEU A 53 -4.423 -7.468 5.814 1.00 62.53 C ATOM 880 O LEU A 53 -4.707 -6.805 4.809 1.00 22.15 O ATOM 881 CB LEU A 53 -2.673 -9.229 5.451 1.00 31.21 C ATOM 882 CG LEU A 53 -2.256 -10.677 5.057 1.00 74.25 C ATOM 883 CD1 LEU A 53 -0.726 -10.778 4.955 1.00 33.23 C ATOM 884 CD2 LEU A 53 -2.832 -11.743 6.015 1.00 74.03 C ATOM 0 H LEU A 53 -4.541 -9.452 3.688 1.00 62.53 H new ATOM 0 HA LEU A 53 -4.476 -9.482 6.619 1.00 42.00 H new ATOM 0 HB2 LEU A 53 -2.340 -8.554 4.662 1.00 31.21 H new ATOM 0 HB3 LEU A 53 -2.130 -8.954 6.355 1.00 31.21 H new ATOM 0 HG LEU A 53 -2.687 -10.888 4.078 1.00 74.25 H new ATOM 0 HD11 LEU A 53 -0.446 -11.795 4.679 1.00 33.23 H new ATOM 0 HD12 LEU A 53 -0.365 -10.084 4.196 1.00 33.23 H new ATOM 0 HD13 LEU A 53 -0.280 -10.527 5.917 1.00 33.23 H new ATOM 0 HD21 LEU A 53 -2.510 -12.733 5.693 1.00 74.03 H new ATOM 0 HD22 LEU A 53 -2.472 -11.555 7.027 1.00 74.03 H new ATOM 0 HD23 LEU A 53 -3.921 -11.694 6.002 1.00 74.03 H new ATOM 896 N LYS A 54 -4.292 -6.936 7.028 1.00 41.00 N ATOM 897 CA LYS A 54 -4.363 -5.491 7.263 1.00 72.23 C ATOM 898 C LYS A 54 -2.944 -4.910 7.351 1.00 75.34 C ATOM 899 O LYS A 54 -1.978 -5.626 7.654 1.00 53.12 O ATOM 900 CB LYS A 54 -5.162 -5.182 8.552 1.00 2.24 C ATOM 901 CG LYS A 54 -6.516 -5.933 8.673 1.00 21.34 C ATOM 902 CD LYS A 54 -7.482 -5.313 9.714 1.00 1.13 C ATOM 903 CE LYS A 54 -6.817 -5.029 11.074 1.00 25.35 C ATOM 904 NZ LYS A 54 -6.191 -6.238 11.678 1.00 75.53 N ATOM 0 H LYS A 54 -4.135 -7.487 7.872 1.00 41.00 H new ATOM 0 HA LYS A 54 -4.885 -5.024 6.428 1.00 72.23 H new ATOM 0 HB2 LYS A 54 -4.545 -5.433 9.415 1.00 2.24 H new ATOM 0 HB3 LYS A 54 -5.352 -4.110 8.597 1.00 2.24 H new ATOM 0 HG2 LYS A 54 -7.004 -5.943 7.698 1.00 21.34 H new ATOM 0 HG3 LYS A 54 -6.323 -6.971 8.943 1.00 21.34 H new ATOM 0 HD2 LYS A 54 -7.886 -4.383 9.315 1.00 1.13 H new ATOM 0 HD3 LYS A 54 -8.324 -5.988 9.864 1.00 1.13 H new ATOM 0 HE2 LYS A 54 -6.057 -4.258 10.947 1.00 25.35 H new ATOM 0 HE3 LYS A 54 -7.563 -4.631 11.761 1.00 25.35 H new ATOM 0 HZ1 LYS A 54 -6.467 -6.309 12.678 1.00 75.53 H new ATOM 0 HZ2 LYS A 54 -6.512 -7.086 11.169 1.00 75.53 H new ATOM 0 HZ3 LYS A 54 -5.156 -6.164 11.609 1.00 75.53 H new ATOM 918 N GLY A 55 -2.839 -3.615 7.069 1.00 50.33 N ATOM 919 CA GLY A 55 -1.579 -2.887 7.120 1.00 11.32 C ATOM 920 C GLY A 55 -1.816 -1.403 7.265 1.00 12.41 C ATOM 921 O GLY A 55 -2.965 -0.967 7.423 1.00 35.21 O ATOM 0 H GLY A 55 -3.634 -3.038 6.796 1.00 50.33 H new ATOM 0 HA2 GLY A 55 -0.981 -3.247 7.957 1.00 11.32 H new ATOM 0 HA3 GLY A 55 -1.006 -3.080 6.213 1.00 11.32 H new ATOM 925 N LYS A 56 -0.732 -0.611 7.219 1.00 61.43 N ATOM 926 CA LYS A 56 -0.820 0.847 7.388 1.00 33.32 C ATOM 927 C LYS A 56 0.323 1.572 6.670 1.00 2.34 C ATOM 928 O LYS A 56 1.482 1.142 6.752 1.00 54.44 O ATOM 929 CB LYS A 56 -0.842 1.200 8.898 1.00 15.21 C ATOM 930 CG LYS A 56 -0.932 2.714 9.206 1.00 70.24 C ATOM 931 CD LYS A 56 -1.347 3.019 10.662 1.00 20.11 C ATOM 932 CE LYS A 56 -2.779 2.543 10.983 1.00 22.12 C ATOM 933 NZ LYS A 56 -3.217 2.977 12.339 1.00 31.11 N ATOM 0 H LYS A 56 0.215 -0.957 7.066 1.00 61.43 H new ATOM 0 HA LYS A 56 -1.749 1.188 6.930 1.00 33.32 H new ATOM 0 HB2 LYS A 56 -1.690 0.697 9.363 1.00 15.21 H new ATOM 0 HB3 LYS A 56 0.059 0.801 9.364 1.00 15.21 H new ATOM 0 HG2 LYS A 56 0.035 3.176 9.007 1.00 70.24 H new ATOM 0 HG3 LYS A 56 -1.650 3.173 8.527 1.00 70.24 H new ATOM 0 HD2 LYS A 56 -0.646 2.537 11.344 1.00 20.11 H new ATOM 0 HD3 LYS A 56 -1.277 4.092 10.839 1.00 20.11 H new ATOM 0 HE2 LYS A 56 -3.468 2.936 10.236 1.00 22.12 H new ATOM 0 HE3 LYS A 56 -2.824 1.456 10.918 1.00 22.12 H new ATOM 0 HZ1 LYS A 56 -4.184 2.638 12.517 1.00 31.11 H new ATOM 0 HZ2 LYS A 56 -2.574 2.581 13.055 1.00 31.11 H new ATOM 0 HZ3 LYS A 56 -3.199 4.015 12.394 1.00 31.11 H new ATOM 947 N ILE A 57 -0.027 2.673 5.971 1.00 43.21 N ATOM 948 CA ILE A 57 0.947 3.594 5.365 1.00 51.14 C ATOM 949 C ILE A 57 1.683 4.348 6.485 1.00 33.52 C ATOM 950 O ILE A 57 1.125 5.257 7.115 1.00 70.54 O ATOM 951 CB ILE A 57 0.254 4.608 4.376 1.00 0.41 C ATOM 952 CG1 ILE A 57 -0.502 3.830 3.257 1.00 44.11 C ATOM 953 CG2 ILE A 57 1.277 5.616 3.775 1.00 24.33 C ATOM 954 CD1 ILE A 57 -1.372 4.676 2.346 1.00 22.35 C ATOM 0 H ILE A 57 -0.997 2.945 5.813 1.00 43.21 H new ATOM 0 HA ILE A 57 1.659 3.014 4.778 1.00 51.14 H new ATOM 0 HB ILE A 57 -0.471 5.194 4.941 1.00 0.41 H new ATOM 0 HG12 ILE A 57 0.231 3.305 2.645 1.00 44.11 H new ATOM 0 HG13 ILE A 57 -1.128 3.071 3.726 1.00 44.11 H new ATOM 0 HG21 ILE A 57 0.761 6.298 3.099 1.00 24.33 H new ATOM 0 HG22 ILE A 57 1.742 6.185 4.580 1.00 24.33 H new ATOM 0 HG23 ILE A 57 2.045 5.071 3.225 1.00 24.33 H new ATOM 0 HD11 ILE A 57 -1.852 4.037 1.605 1.00 22.35 H new ATOM 0 HD12 ILE A 57 -2.135 5.181 2.938 1.00 22.35 H new ATOM 0 HD13 ILE A 57 -0.755 5.419 1.840 1.00 22.35 H new ATOM 966 N VAL A 58 2.919 3.915 6.749 1.00 3.43 N ATOM 967 CA VAL A 58 3.766 4.471 7.823 1.00 4.34 C ATOM 968 C VAL A 58 4.508 5.731 7.335 1.00 13.30 C ATOM 969 O VAL A 58 4.808 6.637 8.128 1.00 54.14 O ATOM 970 CB VAL A 58 4.781 3.390 8.356 1.00 44.43 C ATOM 971 CG1 VAL A 58 4.020 2.205 9.003 1.00 32.31 C ATOM 972 CG2 VAL A 58 5.745 2.899 7.238 1.00 74.53 C ATOM 0 H VAL A 58 3.368 3.165 6.224 1.00 3.43 H new ATOM 0 HA VAL A 58 3.118 4.759 8.651 1.00 4.34 H new ATOM 0 HB VAL A 58 5.398 3.862 9.121 1.00 44.43 H new ATOM 0 HG11 VAL A 58 4.736 1.467 9.366 1.00 32.31 H new ATOM 0 HG12 VAL A 58 3.420 2.570 9.837 1.00 32.31 H new ATOM 0 HG13 VAL A 58 3.368 1.743 8.262 1.00 32.31 H new ATOM 0 HG21 VAL A 58 6.428 2.155 7.648 1.00 74.53 H new ATOM 0 HG22 VAL A 58 5.167 2.454 6.428 1.00 74.53 H new ATOM 0 HG23 VAL A 58 6.317 3.744 6.854 1.00 74.53 H new ATOM 982 N ARG A 59 4.768 5.780 6.013 1.00 13.22 N ATOM 983 CA ARG A 59 5.454 6.902 5.355 1.00 34.11 C ATOM 984 C ARG A 59 5.228 6.818 3.831 1.00 55.10 C ATOM 985 O ARG A 59 4.752 5.801 3.325 1.00 64.04 O ATOM 986 CB ARG A 59 6.969 6.911 5.732 1.00 53.42 C ATOM 987 CG ARG A 59 7.760 8.182 5.286 1.00 23.33 C ATOM 988 CD ARG A 59 8.948 8.492 6.203 1.00 74.10 C ATOM 989 NE ARG A 59 8.486 8.785 7.575 1.00 63.03 N ATOM 990 CZ ARG A 59 9.189 8.588 8.699 1.00 34.50 C ATOM 991 NH1 ARG A 59 10.421 8.087 8.658 1.00 74.04 N ATOM 992 NH2 ARG A 59 8.650 8.907 9.865 1.00 31.20 N ATOM 0 H ARG A 59 4.504 5.034 5.370 1.00 13.22 H new ATOM 0 HA ARG A 59 5.038 7.847 5.703 1.00 34.11 H new ATOM 0 HB2 ARG A 59 7.058 6.809 6.814 1.00 53.42 H new ATOM 0 HB3 ARG A 59 7.442 6.035 5.289 1.00 53.42 H new ATOM 0 HG2 ARG A 59 8.120 8.042 4.267 1.00 23.33 H new ATOM 0 HG3 ARG A 59 7.085 9.038 5.271 1.00 23.33 H new ATOM 0 HD2 ARG A 59 9.633 7.644 6.218 1.00 74.10 H new ATOM 0 HD3 ARG A 59 9.504 9.344 5.811 1.00 74.10 H new ATOM 0 HE ARG A 59 7.548 9.172 7.676 1.00 63.03 H new ATOM 0 HH11 ARG A 59 10.844 7.847 7.762 1.00 74.04 H new ATOM 0 HH12 ARG A 59 10.942 7.943 9.523 1.00 74.04 H new ATOM 0 HH21 ARG A 59 7.709 9.298 9.902 1.00 31.20 H new ATOM 0 HH22 ARG A 59 9.176 8.761 10.727 1.00 31.20 H new ATOM 1006 N VAL A 60 5.523 7.916 3.118 1.00 24.41 N ATOM 1007 CA VAL A 60 5.470 7.969 1.641 1.00 75.30 C ATOM 1008 C VAL A 60 6.848 7.644 1.040 1.00 5.13 C ATOM 1009 O VAL A 60 7.863 7.589 1.754 1.00 51.54 O ATOM 1010 CB VAL A 60 4.990 9.384 1.133 1.00 72.41 C ATOM 1011 CG1 VAL A 60 3.568 9.681 1.626 1.00 72.10 C ATOM 1012 CG2 VAL A 60 5.961 10.511 1.557 1.00 42.14 C ATOM 0 H VAL A 60 5.806 8.797 3.547 1.00 24.41 H new ATOM 0 HA VAL A 60 4.748 7.222 1.312 1.00 75.30 H new ATOM 0 HB VAL A 60 4.984 9.354 0.043 1.00 72.41 H new ATOM 0 HG11 VAL A 60 3.255 10.661 1.265 1.00 72.10 H new ATOM 0 HG12 VAL A 60 2.885 8.920 1.248 1.00 72.10 H new ATOM 0 HG13 VAL A 60 3.552 9.673 2.716 1.00 72.10 H new ATOM 0 HG21 VAL A 60 5.592 11.467 1.186 1.00 42.14 H new ATOM 0 HG22 VAL A 60 6.027 10.544 2.644 1.00 42.14 H new ATOM 0 HG23 VAL A 60 6.949 10.317 1.139 1.00 42.14 H new ATOM 1022 N HIS A 61 6.862 7.448 -0.278 1.00 64.42 N ATOM 1023 CA HIS A 61 8.071 7.172 -1.059 1.00 21.24 C ATOM 1024 C HIS A 61 8.152 8.164 -2.237 1.00 53.35 C ATOM 1025 O HIS A 61 7.422 8.028 -3.225 1.00 25.44 O ATOM 1026 CB HIS A 61 8.062 5.696 -1.555 1.00 40.42 C ATOM 1027 CG HIS A 61 9.191 5.370 -2.491 1.00 52.30 C ATOM 1028 ND1 HIS A 61 10.516 5.431 -2.123 1.00 35.42 N ATOM 1029 CD2 HIS A 61 9.186 5.036 -3.799 1.00 11.52 C ATOM 1030 CE1 HIS A 61 11.271 5.164 -3.168 1.00 73.34 C ATOM 1031 NE2 HIS A 61 10.488 4.919 -4.194 1.00 33.04 N ATOM 0 H HIS A 61 6.016 7.477 -0.846 1.00 64.42 H new ATOM 0 HA HIS A 61 8.955 7.304 -0.435 1.00 21.24 H new ATOM 0 HB2 HIS A 61 8.112 5.031 -0.693 1.00 40.42 H new ATOM 0 HB3 HIS A 61 7.115 5.496 -2.057 1.00 40.42 H new ATOM 0 HD2 HIS A 61 8.314 4.889 -4.418 1.00 11.52 H new ATOM 0 HE1 HIS A 61 12.351 5.149 -3.180 1.00 73.34 H new ATOM 0 HE2 HIS A 61 10.802 4.680 -5.135 1.00 33.04 H new ATOM 1040 N GLY A 62 9.049 9.161 -2.105 1.00 1.13 N ATOM 1041 CA GLY A 62 9.229 10.208 -3.115 1.00 31.01 C ATOM 1042 C GLY A 62 8.022 11.140 -3.237 1.00 61.32 C ATOM 1043 O GLY A 62 7.266 11.328 -2.272 1.00 12.31 O ATOM 0 H GLY A 62 9.664 9.258 -1.297 1.00 1.13 H new ATOM 0 HA2 GLY A 62 10.111 10.797 -2.865 1.00 31.01 H new ATOM 0 HA3 GLY A 62 9.420 9.742 -4.082 1.00 31.01 H new ATOM 1047 N THR A 63 7.845 11.725 -4.430 1.00 72.32 N ATOM 1048 CA THR A 63 6.741 12.661 -4.731 1.00 53.30 C ATOM 1049 C THR A 63 5.738 12.060 -5.730 1.00 45.22 C ATOM 1050 O THR A 63 4.729 12.696 -6.060 1.00 54.35 O ATOM 1051 CB THR A 63 7.314 13.997 -5.309 1.00 70.40 C ATOM 1052 OG1 THR A 63 8.203 13.703 -6.404 1.00 11.14 O ATOM 1053 CG2 THR A 63 8.068 14.814 -4.244 1.00 41.21 C ATOM 0 H THR A 63 8.466 11.564 -5.223 1.00 72.32 H new ATOM 0 HA THR A 63 6.213 12.856 -3.797 1.00 53.30 H new ATOM 0 HB THR A 63 6.471 14.597 -5.652 1.00 70.40 H new ATOM 0 HG1 THR A 63 8.561 14.539 -6.768 1.00 11.14 H new ATOM 0 HG21 THR A 63 8.448 15.733 -4.691 1.00 41.21 H new ATOM 0 HG22 THR A 63 7.390 15.062 -3.428 1.00 41.21 H new ATOM 0 HG23 THR A 63 8.901 14.227 -3.858 1.00 41.21 H new ATOM 1061 N LYS A 64 6.010 10.820 -6.178 1.00 71.12 N ATOM 1062 CA LYS A 64 5.299 10.188 -7.307 1.00 14.33 C ATOM 1063 C LYS A 64 3.972 9.527 -6.872 1.00 52.12 C ATOM 1064 O LYS A 64 3.323 8.868 -7.694 1.00 62.13 O ATOM 1065 CB LYS A 64 6.237 9.149 -7.991 1.00 60.20 C ATOM 1066 CG LYS A 64 7.579 9.732 -8.496 1.00 24.11 C ATOM 1067 CD LYS A 64 7.392 10.857 -9.542 1.00 72.32 C ATOM 1068 CE LYS A 64 8.716 11.513 -9.971 1.00 3.21 C ATOM 1069 NZ LYS A 64 9.656 10.541 -10.590 1.00 24.31 N ATOM 0 H LYS A 64 6.730 10.226 -5.767 1.00 71.12 H new ATOM 0 HA LYS A 64 5.035 10.970 -8.019 1.00 14.33 H new ATOM 0 HB2 LYS A 64 6.447 8.347 -7.284 1.00 60.20 H new ATOM 0 HB3 LYS A 64 5.710 8.701 -8.833 1.00 60.20 H new ATOM 0 HG2 LYS A 64 8.142 10.122 -7.648 1.00 24.11 H new ATOM 0 HG3 LYS A 64 8.175 8.931 -8.934 1.00 24.11 H new ATOM 0 HD2 LYS A 64 6.895 10.447 -10.422 1.00 72.32 H new ATOM 0 HD3 LYS A 64 6.732 11.621 -9.130 1.00 72.32 H new ATOM 0 HE2 LYS A 64 8.508 12.315 -10.679 1.00 3.21 H new ATOM 0 HE3 LYS A 64 9.190 11.970 -9.102 1.00 3.21 H new ATOM 0 HZ1 LYS A 64 10.512 11.040 -10.908 1.00 24.31 H new ATOM 0 HZ2 LYS A 64 9.917 9.817 -9.891 1.00 24.31 H new ATOM 0 HZ3 LYS A 64 9.198 10.086 -11.405 1.00 24.31 H new ATOM 1083 N GLY A 65 3.571 9.705 -5.591 1.00 32.32 N ATOM 1084 CA GLY A 65 2.320 9.135 -5.067 1.00 11.00 C ATOM 1085 C GLY A 65 2.501 7.745 -4.472 1.00 75.30 C ATOM 1086 O GLY A 65 1.623 7.266 -3.749 1.00 2.32 O ATOM 0 H GLY A 65 4.102 10.241 -4.905 1.00 32.32 H new ATOM 0 HA2 GLY A 65 1.916 9.801 -4.304 1.00 11.00 H new ATOM 0 HA3 GLY A 65 1.585 9.087 -5.870 1.00 11.00 H new ATOM 1090 N ALA A 66 3.642 7.094 -4.799 1.00 4.32 N ATOM 1091 CA ALA A 66 4.036 5.803 -4.220 1.00 20.14 C ATOM 1092 C ALA A 66 4.171 5.930 -2.693 1.00 34.21 C ATOM 1093 O ALA A 66 4.910 6.783 -2.209 1.00 12.01 O ATOM 1094 CB ALA A 66 5.366 5.319 -4.840 1.00 42.24 C ATOM 0 H ALA A 66 4.313 7.457 -5.476 1.00 4.32 H new ATOM 0 HA ALA A 66 3.264 5.067 -4.444 1.00 20.14 H new ATOM 0 HB1 ALA A 66 5.645 4.361 -4.401 1.00 42.24 H new ATOM 0 HB2 ALA A 66 5.244 5.203 -5.917 1.00 42.24 H new ATOM 0 HB3 ALA A 66 6.148 6.051 -4.640 1.00 42.24 H new ATOM 1100 N VAL A 67 3.416 5.110 -1.958 1.00 31.23 N ATOM 1101 CA VAL A 67 3.442 5.066 -0.487 1.00 74.54 C ATOM 1102 C VAL A 67 4.244 3.841 0.007 1.00 32.24 C ATOM 1103 O VAL A 67 4.685 3.001 -0.787 1.00 43.22 O ATOM 1104 CB VAL A 67 1.981 5.036 0.108 1.00 70.11 C ATOM 1105 CG1 VAL A 67 1.194 6.319 -0.258 1.00 34.23 C ATOM 1106 CG2 VAL A 67 1.219 3.755 -0.327 1.00 65.33 C ATOM 0 H VAL A 67 2.759 4.447 -2.370 1.00 31.23 H new ATOM 0 HA VAL A 67 3.935 5.973 -0.136 1.00 74.54 H new ATOM 0 HB VAL A 67 2.070 5.009 1.194 1.00 70.11 H new ATOM 0 HG11 VAL A 67 0.192 6.265 0.168 1.00 34.23 H new ATOM 0 HG12 VAL A 67 1.712 7.190 0.143 1.00 34.23 H new ATOM 0 HG13 VAL A 67 1.123 6.406 -1.342 1.00 34.23 H new ATOM 0 HG21 VAL A 67 0.216 3.766 0.100 1.00 65.33 H new ATOM 0 HG22 VAL A 67 1.150 3.724 -1.414 1.00 65.33 H new ATOM 0 HG23 VAL A 67 1.755 2.875 0.028 1.00 65.33 H new ATOM 1116 N ARG A 68 4.417 3.763 1.333 1.00 50.14 N ATOM 1117 CA ARG A 68 5.123 2.671 2.011 1.00 41.33 C ATOM 1118 C ARG A 68 4.221 2.126 3.135 1.00 24.00 C ATOM 1119 O ARG A 68 3.969 2.821 4.128 1.00 41.55 O ATOM 1120 CB ARG A 68 6.479 3.195 2.569 1.00 0.25 C ATOM 1121 CG ARG A 68 7.211 2.202 3.484 1.00 45.11 C ATOM 1122 CD ARG A 68 8.541 2.734 4.028 1.00 65.14 C ATOM 1123 NE ARG A 68 9.547 2.902 2.968 1.00 63.15 N ATOM 1124 CZ ARG A 68 10.743 2.298 2.928 1.00 35.44 C ATOM 1125 NH1 ARG A 68 11.125 1.447 3.886 1.00 34.14 N ATOM 1126 NH2 ARG A 68 11.574 2.581 1.939 1.00 55.41 N ATOM 0 H ARG A 68 4.063 4.471 1.976 1.00 50.14 H new ATOM 0 HA ARG A 68 5.341 1.861 1.315 1.00 41.33 H new ATOM 0 HB2 ARG A 68 7.130 3.448 1.732 1.00 0.25 H new ATOM 0 HB3 ARG A 68 6.299 4.117 3.122 1.00 0.25 H new ATOM 0 HG2 ARG A 68 6.562 1.946 4.321 1.00 45.11 H new ATOM 0 HG3 ARG A 68 7.397 1.281 2.932 1.00 45.11 H new ATOM 0 HD2 ARG A 68 8.373 3.691 4.522 1.00 65.14 H new ATOM 0 HD3 ARG A 68 8.923 2.048 4.784 1.00 65.14 H new ATOM 0 HE ARG A 68 9.315 3.531 2.199 1.00 63.15 H new ATOM 0 HH11 ARG A 68 10.502 1.246 4.668 1.00 34.14 H new ATOM 0 HH12 ARG A 68 12.040 0.999 3.835 1.00 34.14 H new ATOM 0 HH21 ARG A 68 11.301 3.251 1.220 1.00 55.41 H new ATOM 0 HH22 ARG A 68 12.487 2.129 1.895 1.00 55.41 H new ATOM 1140 N ALA A 69 3.730 0.886 2.963 1.00 42.23 N ATOM 1141 CA ALA A 69 2.791 0.248 3.903 1.00 24.23 C ATOM 1142 C ALA A 69 3.422 -1.004 4.540 1.00 23.24 C ATOM 1143 O ALA A 69 4.028 -1.826 3.844 1.00 1.14 O ATOM 1144 CB ALA A 69 1.474 -0.099 3.184 1.00 63.11 C ATOM 0 H ALA A 69 3.974 0.297 2.167 1.00 42.23 H new ATOM 0 HA ALA A 69 2.568 0.951 4.706 1.00 24.23 H new ATOM 0 HB1 ALA A 69 0.788 -0.570 3.888 1.00 63.11 H new ATOM 0 HB2 ALA A 69 1.023 0.812 2.792 1.00 63.11 H new ATOM 0 HB3 ALA A 69 1.678 -0.785 2.362 1.00 63.11 H new ATOM 1150 N ARG A 70 3.295 -1.117 5.878 1.00 14.22 N ATOM 1151 CA ARG A 70 3.741 -2.294 6.653 1.00 1.10 C ATOM 1152 C ARG A 70 2.518 -3.135 7.036 1.00 4.05 C ATOM 1153 O ARG A 70 1.557 -2.599 7.596 1.00 11.43 O ATOM 1154 CB ARG A 70 4.486 -1.862 7.944 1.00 51.00 C ATOM 1155 CG ARG A 70 5.767 -1.038 7.720 1.00 71.44 C ATOM 1156 CD ARG A 70 6.519 -0.782 9.036 1.00 51.03 C ATOM 1157 NE ARG A 70 7.799 -0.086 8.834 1.00 14.23 N ATOM 1158 CZ ARG A 70 8.716 0.115 9.799 1.00 72.21 C ATOM 1159 NH1 ARG A 70 8.505 -0.321 11.043 1.00 75.12 N ATOM 1160 NH2 ARG A 70 9.842 0.759 9.525 1.00 50.14 N ATOM 0 H ARG A 70 2.877 -0.388 6.456 1.00 14.22 H new ATOM 0 HA ARG A 70 4.426 -2.876 6.036 1.00 1.10 H new ATOM 0 HB2 ARG A 70 3.802 -1.279 8.561 1.00 51.00 H new ATOM 0 HB3 ARG A 70 4.744 -2.756 8.512 1.00 51.00 H new ATOM 0 HG2 ARG A 70 6.421 -1.564 7.024 1.00 71.44 H new ATOM 0 HG3 ARG A 70 5.510 -0.085 7.257 1.00 71.44 H new ATOM 0 HD2 ARG A 70 5.889 -0.190 9.700 1.00 51.03 H new ATOM 0 HD3 ARG A 70 6.703 -1.733 9.535 1.00 51.03 H new ATOM 0 HE ARG A 70 8.006 0.268 7.900 1.00 14.23 H new ATOM 0 HH11 ARG A 70 7.641 -0.813 11.271 1.00 75.12 H new ATOM 0 HH12 ARG A 70 9.208 -0.162 11.765 1.00 75.12 H new ATOM 0 HH21 ARG A 70 10.016 1.104 8.581 1.00 50.14 H new ATOM 0 HH22 ARG A 70 10.535 0.910 10.258 1.00 50.14 H new ATOM 1174 N PHE A 71 2.562 -4.446 6.752 1.00 55.43 N ATOM 1175 CA PHE A 71 1.442 -5.376 7.014 1.00 4.51 C ATOM 1176 C PHE A 71 1.750 -6.269 8.213 1.00 52.10 C ATOM 1177 O PHE A 71 2.841 -6.829 8.296 1.00 73.04 O ATOM 1178 CB PHE A 71 1.142 -6.218 5.747 1.00 23.02 C ATOM 1179 CG PHE A 71 0.626 -5.355 4.602 1.00 60.44 C ATOM 1180 CD1 PHE A 71 1.509 -4.652 3.781 1.00 20.45 C ATOM 1181 CD2 PHE A 71 -0.744 -5.210 4.381 1.00 14.24 C ATOM 1182 CE1 PHE A 71 1.037 -3.826 2.789 1.00 11.30 C ATOM 1183 CE2 PHE A 71 -1.210 -4.386 3.381 1.00 13.02 C ATOM 1184 CZ PHE A 71 -0.321 -3.702 2.583 1.00 33.45 C ATOM 0 H PHE A 71 3.376 -4.896 6.333 1.00 55.43 H new ATOM 0 HA PHE A 71 0.552 -4.795 7.257 1.00 4.51 H new ATOM 0 HB2 PHE A 71 2.048 -6.736 5.432 1.00 23.02 H new ATOM 0 HB3 PHE A 71 0.404 -6.984 5.986 1.00 23.02 H new ATOM 0 HD1 PHE A 71 2.574 -4.758 3.927 1.00 20.45 H new ATOM 0 HD2 PHE A 71 -1.446 -5.749 5.000 1.00 14.24 H new ATOM 0 HE1 PHE A 71 1.730 -3.274 2.171 1.00 11.30 H new ATOM 0 HE2 PHE A 71 -2.273 -4.276 3.223 1.00 13.02 H new ATOM 0 HZ PHE A 71 -0.689 -3.065 1.792 1.00 33.45 H new ATOM 1194 N GLU A 72 0.743 -6.405 9.101 1.00 54.23 N ATOM 1195 CA GLU A 72 0.843 -7.110 10.397 1.00 51.31 C ATOM 1196 C GLU A 72 1.428 -8.540 10.253 1.00 22.33 C ATOM 1197 O GLU A 72 2.372 -8.905 10.962 1.00 72.33 O ATOM 1198 CB GLU A 72 -0.567 -7.129 11.071 1.00 2.15 C ATOM 1199 CG GLU A 72 -1.710 -7.660 10.162 1.00 2.33 C ATOM 1200 CD GLU A 72 -3.137 -7.577 10.735 1.00 4.41 C ATOM 1201 OE1 GLU A 72 -3.352 -6.959 11.803 1.00 42.44 O ATOM 1202 OE2 GLU A 72 -4.068 -8.128 10.095 1.00 51.35 O ATOM 0 H GLU A 72 -0.186 -6.018 8.933 1.00 54.23 H new ATOM 0 HA GLU A 72 1.544 -6.570 11.033 1.00 51.31 H new ATOM 0 HB2 GLU A 72 -0.518 -7.745 11.969 1.00 2.15 H new ATOM 0 HB3 GLU A 72 -0.816 -6.117 11.392 1.00 2.15 H new ATOM 0 HG2 GLU A 72 -1.686 -7.105 9.224 1.00 2.33 H new ATOM 0 HG3 GLU A 72 -1.499 -8.702 9.921 1.00 2.33 H new ATOM 1209 N LYS A 73 0.893 -9.309 9.289 1.00 51.34 N ATOM 1210 CA LYS A 73 1.299 -10.713 9.055 1.00 53.41 C ATOM 1211 C LYS A 73 2.409 -10.755 7.996 1.00 41.55 C ATOM 1212 O LYS A 73 3.360 -11.539 8.115 1.00 73.20 O ATOM 1213 CB LYS A 73 0.085 -11.573 8.601 1.00 44.20 C ATOM 1214 CG LYS A 73 -1.172 -11.448 9.493 1.00 44.01 C ATOM 1215 CD LYS A 73 -0.942 -11.861 10.967 1.00 33.11 C ATOM 1216 CE LYS A 73 -0.772 -13.379 11.156 1.00 23.02 C ATOM 1217 NZ LYS A 73 -2.026 -14.126 10.871 1.00 15.25 N ATOM 0 H LYS A 73 0.169 -8.980 8.650 1.00 51.34 H new ATOM 0 HA LYS A 73 1.675 -11.131 9.989 1.00 53.41 H new ATOM 0 HB2 LYS A 73 -0.181 -11.291 7.582 1.00 44.20 H new ATOM 0 HB3 LYS A 73 0.390 -12.619 8.573 1.00 44.20 H new ATOM 0 HG2 LYS A 73 -1.523 -10.416 9.466 1.00 44.01 H new ATOM 0 HG3 LYS A 73 -1.966 -12.066 9.073 1.00 44.01 H new ATOM 0 HD2 LYS A 73 -0.054 -11.353 11.345 1.00 33.11 H new ATOM 0 HD3 LYS A 73 -1.785 -11.519 11.568 1.00 33.11 H new ATOM 0 HE2 LYS A 73 0.020 -13.738 10.499 1.00 23.02 H new ATOM 0 HE3 LYS A 73 -0.455 -13.583 12.179 1.00 23.02 H new ATOM 0 HZ1 LYS A 73 -1.905 -15.123 11.140 1.00 15.25 H new ATOM 0 HZ2 LYS A 73 -2.808 -13.712 11.417 1.00 15.25 H new ATOM 0 HZ3 LYS A 73 -2.243 -14.066 9.856 1.00 15.25 H new ATOM 1231 N GLY A 74 2.257 -9.891 6.964 1.00 2.51 N ATOM 1232 CA GLY A 74 3.237 -9.752 5.883 1.00 53.24 C ATOM 1233 C GLY A 74 3.583 -11.069 5.187 1.00 64.41 C ATOM 1234 O GLY A 74 4.760 -11.444 5.108 1.00 24.41 O ATOM 0 H GLY A 74 1.449 -9.276 6.866 1.00 2.51 H new ATOM 0 HA2 GLY A 74 2.850 -9.052 5.143 1.00 53.24 H new ATOM 0 HA3 GLY A 74 4.150 -9.315 6.288 1.00 53.24 H new ATOM 1238 N LEU A 75 2.549 -11.773 4.687 1.00 62.12 N ATOM 1239 CA LEU A 75 2.704 -13.110 4.078 1.00 12.45 C ATOM 1240 C LEU A 75 3.478 -13.012 2.734 1.00 14.23 C ATOM 1241 O LEU A 75 3.069 -12.264 1.840 1.00 14.24 O ATOM 1242 CB LEU A 75 1.314 -13.797 3.890 1.00 22.30 C ATOM 1243 CG LEU A 75 0.635 -14.315 5.203 1.00 74.52 C ATOM 1244 CD1 LEU A 75 -0.791 -14.843 4.929 1.00 15.52 C ATOM 1245 CD2 LEU A 75 1.514 -15.383 5.897 1.00 74.33 C ATOM 0 H LEU A 75 1.587 -11.434 4.693 1.00 62.12 H new ATOM 0 HA LEU A 75 3.290 -13.733 4.754 1.00 12.45 H new ATOM 0 HB2 LEU A 75 0.640 -13.088 3.408 1.00 22.30 H new ATOM 0 HB3 LEU A 75 1.433 -14.638 3.207 1.00 22.30 H new ATOM 0 HG LEU A 75 0.540 -13.471 5.886 1.00 74.52 H new ATOM 0 HD11 LEU A 75 -1.234 -15.195 5.861 1.00 15.52 H new ATOM 0 HD12 LEU A 75 -1.403 -14.041 4.516 1.00 15.52 H new ATOM 0 HD13 LEU A 75 -0.743 -15.666 4.216 1.00 15.52 H new ATOM 0 HD21 LEU A 75 1.020 -15.726 6.806 1.00 74.33 H new ATOM 0 HD22 LEU A 75 1.661 -16.227 5.223 1.00 74.33 H new ATOM 0 HD23 LEU A 75 2.481 -14.949 6.151 1.00 74.33 H new ATOM 1257 N PRO A 76 4.615 -13.769 2.593 1.00 50.12 N ATOM 1258 CA PRO A 76 5.501 -13.687 1.406 1.00 60.14 C ATOM 1259 C PRO A 76 4.899 -14.418 0.175 1.00 12.34 C ATOM 1260 O PRO A 76 4.134 -15.379 0.322 1.00 4.23 O ATOM 1261 CB PRO A 76 6.798 -14.367 1.913 1.00 23.14 C ATOM 1262 CG PRO A 76 6.313 -15.401 2.888 1.00 15.44 C ATOM 1263 CD PRO A 76 5.116 -14.781 3.577 1.00 4.55 C ATOM 0 HA PRO A 76 5.657 -12.668 1.052 1.00 60.14 H new ATOM 0 HB2 PRO A 76 7.356 -14.822 1.094 1.00 23.14 H new ATOM 0 HB3 PRO A 76 7.464 -13.649 2.392 1.00 23.14 H new ATOM 0 HG2 PRO A 76 6.037 -16.323 2.376 1.00 15.44 H new ATOM 0 HG3 PRO A 76 7.091 -15.656 3.608 1.00 15.44 H new ATOM 0 HD2 PRO A 76 4.355 -15.528 3.804 1.00 4.55 H new ATOM 0 HD3 PRO A 76 5.396 -14.315 4.521 1.00 4.55 H new ATOM 1271 N GLY A 77 5.249 -13.928 -1.026 1.00 54.12 N ATOM 1272 CA GLY A 77 4.790 -14.513 -2.294 1.00 73.54 C ATOM 1273 C GLY A 77 5.203 -13.656 -3.480 1.00 72.31 C ATOM 1274 O GLY A 77 6.229 -12.975 -3.414 1.00 13.41 O ATOM 0 H GLY A 77 5.857 -13.117 -1.144 1.00 54.12 H new ATOM 0 HA2 GLY A 77 5.204 -15.515 -2.405 1.00 73.54 H new ATOM 0 HA3 GLY A 77 3.705 -14.616 -2.278 1.00 73.54 H new ATOM 1278 N GLN A 78 4.418 -13.702 -4.578 1.00 23.42 N ATOM 1279 CA GLN A 78 4.598 -12.803 -5.741 1.00 73.40 C ATOM 1280 C GLN A 78 3.381 -11.858 -5.835 1.00 4.34 C ATOM 1281 O GLN A 78 2.467 -12.039 -6.648 1.00 15.31 O ATOM 1282 CB GLN A 78 4.832 -13.613 -7.047 1.00 52.23 C ATOM 1283 CG GLN A 78 5.241 -12.759 -8.276 1.00 40.12 C ATOM 1284 CD GLN A 78 5.735 -13.589 -9.463 1.00 60.13 C ATOM 1285 OE1 GLN A 78 6.259 -14.692 -9.296 1.00 54.34 O ATOM 1286 NE2 GLN A 78 5.630 -13.045 -10.664 1.00 73.43 N ATOM 0 H GLN A 78 3.645 -14.359 -4.684 1.00 23.42 H new ATOM 0 HA GLN A 78 5.493 -12.195 -5.605 1.00 73.40 H new ATOM 0 HB2 GLN A 78 5.608 -14.356 -6.863 1.00 52.23 H new ATOM 0 HB3 GLN A 78 3.920 -14.159 -7.288 1.00 52.23 H new ATOM 0 HG2 GLN A 78 4.387 -12.161 -8.592 1.00 40.12 H new ATOM 0 HG3 GLN A 78 6.025 -12.063 -7.979 1.00 40.12 H new ATOM 0 HE21 GLN A 78 5.192 -12.131 -10.773 1.00 73.43 H new ATOM 0 HE22 GLN A 78 5.987 -13.540 -11.481 1.00 73.43 H new ATOM 1295 N ALA A 79 3.360 -10.890 -4.910 1.00 4.34 N ATOM 1296 CA ALA A 79 2.301 -9.873 -4.785 1.00 53.14 C ATOM 1297 C ALA A 79 2.440 -8.745 -5.819 1.00 14.32 C ATOM 1298 O ALA A 79 1.540 -7.916 -5.941 1.00 75.34 O ATOM 1299 CB ALA A 79 2.345 -9.284 -3.370 1.00 64.30 C ATOM 0 H ALA A 79 4.095 -10.787 -4.210 1.00 4.34 H new ATOM 0 HA ALA A 79 1.345 -10.362 -4.973 1.00 53.14 H new ATOM 0 HB1 ALA A 79 1.565 -8.530 -3.266 1.00 64.30 H new ATOM 0 HB2 ALA A 79 2.182 -10.077 -2.640 1.00 64.30 H new ATOM 0 HB3 ALA A 79 3.319 -8.826 -3.197 1.00 64.30 H new ATOM 1305 N LEU A 80 3.576 -8.713 -6.541 1.00 63.22 N ATOM 1306 CA LEU A 80 3.890 -7.658 -7.524 1.00 75.33 C ATOM 1307 C LEU A 80 2.842 -7.638 -8.657 1.00 11.14 C ATOM 1308 O LEU A 80 2.710 -8.613 -9.401 1.00 43.10 O ATOM 1309 CB LEU A 80 5.324 -7.878 -8.093 1.00 51.32 C ATOM 1310 CG LEU A 80 6.468 -7.970 -7.031 1.00 42.31 C ATOM 1311 CD1 LEU A 80 7.842 -8.185 -7.697 1.00 25.04 C ATOM 1312 CD2 LEU A 80 6.472 -6.738 -6.098 1.00 24.13 C ATOM 0 H LEU A 80 4.305 -9.421 -6.459 1.00 63.22 H new ATOM 0 HA LEU A 80 3.857 -6.689 -7.026 1.00 75.33 H new ATOM 0 HB2 LEU A 80 5.325 -8.796 -8.681 1.00 51.32 H new ATOM 0 HB3 LEU A 80 5.553 -7.061 -8.777 1.00 51.32 H new ATOM 0 HG LEU A 80 6.270 -8.845 -6.412 1.00 42.31 H new ATOM 0 HD11 LEU A 80 8.613 -8.244 -6.929 1.00 25.04 H new ATOM 0 HD12 LEU A 80 7.828 -9.113 -8.269 1.00 25.04 H new ATOM 0 HD13 LEU A 80 8.058 -7.350 -8.364 1.00 25.04 H new ATOM 0 HD21 LEU A 80 7.279 -6.834 -5.372 1.00 24.13 H new ATOM 0 HD22 LEU A 80 6.621 -5.834 -6.689 1.00 24.13 H new ATOM 0 HD23 LEU A 80 5.518 -6.675 -5.574 1.00 24.13 H new ATOM 1324 N GLY A 81 2.080 -6.532 -8.750 1.00 24.23 N ATOM 1325 CA GLY A 81 1.009 -6.386 -9.751 1.00 70.44 C ATOM 1326 C GLY A 81 -0.386 -6.591 -9.161 1.00 73.33 C ATOM 1327 O GLY A 81 -1.384 -6.163 -9.759 1.00 20.12 O ATOM 0 H GLY A 81 2.188 -5.722 -8.139 1.00 24.23 H new ATOM 0 HA2 GLY A 81 1.068 -5.393 -10.197 1.00 70.44 H new ATOM 0 HA3 GLY A 81 1.168 -7.106 -10.554 1.00 70.44 H new ATOM 1331 N ASP A 82 -0.450 -7.242 -7.978 1.00 62.11 N ATOM 1332 CA ASP A 82 -1.715 -7.506 -7.252 1.00 23.21 C ATOM 1333 C ASP A 82 -2.219 -6.219 -6.560 1.00 55.10 C ATOM 1334 O ASP A 82 -1.464 -5.255 -6.395 1.00 21.42 O ATOM 1335 CB ASP A 82 -1.516 -8.668 -6.226 1.00 15.10 C ATOM 1336 CG ASP A 82 -2.841 -9.175 -5.633 1.00 53.21 C ATOM 1337 OD1 ASP A 82 -3.579 -9.877 -6.354 1.00 11.31 O ATOM 1338 OD2 ASP A 82 -3.168 -8.852 -4.471 1.00 52.42 O ATOM 0 H ASP A 82 0.375 -7.600 -7.498 1.00 62.11 H new ATOM 0 HA ASP A 82 -2.477 -7.817 -7.967 1.00 23.21 H new ATOM 0 HB2 ASP A 82 -1.003 -9.495 -6.716 1.00 15.10 H new ATOM 0 HB3 ASP A 82 -0.869 -8.326 -5.418 1.00 15.10 H new ATOM 1343 N TYR A 83 -3.502 -6.214 -6.161 1.00 52.42 N ATOM 1344 CA TYR A 83 -4.194 -5.016 -5.671 1.00 13.02 C ATOM 1345 C TYR A 83 -4.379 -5.033 -4.145 1.00 32.34 C ATOM 1346 O TYR A 83 -4.536 -6.089 -3.520 1.00 41.43 O ATOM 1347 CB TYR A 83 -5.570 -4.896 -6.364 1.00 22.05 C ATOM 1348 CG TYR A 83 -5.491 -4.794 -7.894 1.00 32.10 C ATOM 1349 CD1 TYR A 83 -5.205 -3.578 -8.520 1.00 31.12 C ATOM 1350 CD2 TYR A 83 -5.691 -5.912 -8.710 1.00 31.53 C ATOM 1351 CE1 TYR A 83 -5.138 -3.480 -9.897 1.00 11.33 C ATOM 1352 CE2 TYR A 83 -5.620 -5.815 -10.085 1.00 52.03 C ATOM 1353 CZ TYR A 83 -5.342 -4.603 -10.673 1.00 22.14 C ATOM 1354 OH TYR A 83 -5.275 -4.513 -12.049 1.00 55.22 O ATOM 0 H TYR A 83 -4.089 -7.048 -6.171 1.00 52.42 H new ATOM 0 HA TYR A 83 -3.573 -4.153 -5.913 1.00 13.02 H new ATOM 0 HB2 TYR A 83 -6.176 -5.762 -6.099 1.00 22.05 H new ATOM 0 HB3 TYR A 83 -6.085 -4.016 -5.977 1.00 22.05 H new ATOM 0 HD1 TYR A 83 -5.033 -2.699 -7.917 1.00 31.12 H new ATOM 0 HD2 TYR A 83 -5.905 -6.868 -8.256 1.00 31.53 H new ATOM 0 HE1 TYR A 83 -4.927 -2.529 -10.364 1.00 11.33 H new ATOM 0 HE2 TYR A 83 -5.782 -6.689 -10.698 1.00 52.03 H new ATOM 0 HH TYR A 83 -5.442 -5.395 -12.443 1.00 55.22 H new ATOM 1364 N VAL A 84 -4.368 -3.824 -3.575 1.00 25.12 N ATOM 1365 CA VAL A 84 -4.709 -3.554 -2.173 1.00 60.03 C ATOM 1366 C VAL A 84 -5.891 -2.564 -2.145 1.00 22.03 C ATOM 1367 O VAL A 84 -6.194 -1.920 -3.166 1.00 63.01 O ATOM 1368 CB VAL A 84 -3.487 -2.940 -1.387 1.00 64.33 C ATOM 1369 CG1 VAL A 84 -2.246 -3.862 -1.444 1.00 42.42 C ATOM 1370 CG2 VAL A 84 -3.150 -1.514 -1.887 1.00 75.31 C ATOM 0 H VAL A 84 -4.114 -2.981 -4.091 1.00 25.12 H new ATOM 0 HA VAL A 84 -4.975 -4.493 -1.687 1.00 60.03 H new ATOM 0 HB VAL A 84 -3.786 -2.862 -0.342 1.00 64.33 H new ATOM 0 HG11 VAL A 84 -1.426 -3.403 -0.891 1.00 42.42 H new ATOM 0 HG12 VAL A 84 -2.489 -4.827 -0.999 1.00 42.42 H new ATOM 0 HG13 VAL A 84 -1.947 -4.006 -2.482 1.00 42.42 H new ATOM 0 HG21 VAL A 84 -2.303 -1.122 -1.324 1.00 75.31 H new ATOM 0 HG22 VAL A 84 -2.895 -1.551 -2.946 1.00 75.31 H new ATOM 0 HG23 VAL A 84 -4.014 -0.865 -1.744 1.00 75.31 H new ATOM 1380 N GLU A 85 -6.555 -2.438 -0.987 1.00 22.40 N ATOM 1381 CA GLU A 85 -7.620 -1.441 -0.785 1.00 22.25 C ATOM 1382 C GLU A 85 -7.278 -0.585 0.447 1.00 21.13 C ATOM 1383 O GLU A 85 -7.384 -1.045 1.589 1.00 31.25 O ATOM 1384 CB GLU A 85 -8.992 -2.153 -0.614 1.00 24.10 C ATOM 1385 CG GLU A 85 -9.369 -3.089 -1.790 1.00 62.31 C ATOM 1386 CD GLU A 85 -10.758 -3.732 -1.654 1.00 33.14 C ATOM 1387 OE1 GLU A 85 -10.935 -4.599 -0.775 1.00 1.10 O ATOM 1388 OE2 GLU A 85 -11.681 -3.375 -2.423 1.00 43.42 O ATOM 0 H GLU A 85 -6.372 -3.019 -0.169 1.00 22.40 H new ATOM 0 HA GLU A 85 -7.691 -0.790 -1.656 1.00 22.25 H new ATOM 0 HB2 GLU A 85 -8.975 -2.734 0.308 1.00 24.10 H new ATOM 0 HB3 GLU A 85 -9.770 -1.398 -0.501 1.00 24.10 H new ATOM 0 HG2 GLU A 85 -9.332 -2.521 -2.720 1.00 62.31 H new ATOM 0 HG3 GLU A 85 -8.621 -3.878 -1.868 1.00 62.31 H new ATOM 1395 N ILE A 86 -6.892 0.668 0.185 1.00 53.32 N ATOM 1396 CA ILE A 86 -6.567 1.652 1.217 1.00 74.34 C ATOM 1397 C ILE A 86 -7.883 2.278 1.708 1.00 52.31 C ATOM 1398 O ILE A 86 -8.414 3.227 1.128 1.00 40.44 O ATOM 1399 CB ILE A 86 -5.593 2.768 0.653 1.00 0.02 C ATOM 1400 CG1 ILE A 86 -4.323 2.114 0.013 1.00 71.05 C ATOM 1401 CG2 ILE A 86 -5.201 3.789 1.752 1.00 65.23 C ATOM 1402 CD1 ILE A 86 -3.361 3.090 -0.655 1.00 1.02 C ATOM 0 H ILE A 86 -6.796 1.030 -0.764 1.00 53.32 H new ATOM 0 HA ILE A 86 -6.051 1.164 2.044 1.00 74.34 H new ATOM 0 HB ILE A 86 -6.126 3.317 -0.124 1.00 0.02 H new ATOM 0 HG12 ILE A 86 -3.784 1.569 0.788 1.00 71.05 H new ATOM 0 HG13 ILE A 86 -4.644 1.381 -0.727 1.00 71.05 H new ATOM 0 HG21 ILE A 86 -4.533 4.539 1.330 1.00 65.23 H new ATOM 0 HG22 ILE A 86 -6.099 4.276 2.133 1.00 65.23 H new ATOM 0 HG23 ILE A 86 -4.696 3.270 2.567 1.00 65.23 H new ATOM 0 HD11 ILE A 86 -2.514 2.541 -1.068 1.00 1.02 H new ATOM 0 HD12 ILE A 86 -3.877 3.618 -1.457 1.00 1.02 H new ATOM 0 HD13 ILE A 86 -3.003 3.809 0.081 1.00 1.02 H new ATOM 1414 N VAL A 87 -8.421 1.671 2.760 1.00 10.33 N ATOM 1415 CA VAL A 87 -9.605 2.161 3.461 1.00 51.35 C ATOM 1416 C VAL A 87 -9.187 3.303 4.404 1.00 41.20 C ATOM 1417 O VAL A 87 -8.098 3.262 4.998 1.00 73.42 O ATOM 1418 CB VAL A 87 -10.291 0.999 4.275 1.00 0.44 C ATOM 1419 CG1 VAL A 87 -11.575 1.482 4.992 1.00 41.21 C ATOM 1420 CG2 VAL A 87 -10.580 -0.223 3.365 1.00 21.15 C ATOM 0 H VAL A 87 -8.042 0.811 3.157 1.00 10.33 H new ATOM 0 HA VAL A 87 -10.329 2.531 2.735 1.00 51.35 H new ATOM 0 HB VAL A 87 -9.590 0.683 5.048 1.00 0.44 H new ATOM 0 HG11 VAL A 87 -12.019 0.652 5.542 1.00 41.21 H new ATOM 0 HG12 VAL A 87 -11.324 2.285 5.686 1.00 41.21 H new ATOM 0 HG13 VAL A 87 -12.287 1.850 4.254 1.00 41.21 H new ATOM 0 HG21 VAL A 87 -11.053 -1.010 3.952 1.00 21.15 H new ATOM 0 HG22 VAL A 87 -11.246 0.076 2.555 1.00 21.15 H new ATOM 0 HG23 VAL A 87 -9.644 -0.595 2.947 1.00 21.15 H new ATOM 1430 N LEU A 88 -10.040 4.333 4.507 1.00 4.41 N ATOM 1431 CA LEU A 88 -9.881 5.407 5.493 1.00 23.11 C ATOM 1432 C LEU A 88 -9.921 4.763 6.899 1.00 23.24 C ATOM 1433 O LEU A 88 -10.948 4.199 7.286 1.00 51.24 O ATOM 1434 CB LEU A 88 -11.025 6.463 5.299 1.00 31.15 C ATOM 1435 CG LEU A 88 -10.773 7.924 5.822 1.00 53.22 C ATOM 1436 CD1 LEU A 88 -10.622 8.009 7.361 1.00 12.44 C ATOM 1437 CD2 LEU A 88 -9.564 8.557 5.091 1.00 40.24 C ATOM 0 H LEU A 88 -10.858 4.443 3.908 1.00 4.41 H new ATOM 0 HA LEU A 88 -8.932 5.929 5.369 1.00 23.11 H new ATOM 0 HB2 LEU A 88 -11.248 6.523 4.234 1.00 31.15 H new ATOM 0 HB3 LEU A 88 -11.920 6.081 5.791 1.00 31.15 H new ATOM 0 HG LEU A 88 -11.666 8.503 5.587 1.00 53.22 H new ATOM 0 HD11 LEU A 88 -10.450 9.045 7.653 1.00 12.44 H new ATOM 0 HD12 LEU A 88 -11.532 7.644 7.837 1.00 12.44 H new ATOM 0 HD13 LEU A 88 -9.777 7.398 7.678 1.00 12.44 H new ATOM 0 HD21 LEU A 88 -9.402 9.568 5.464 1.00 40.24 H new ATOM 0 HD22 LEU A 88 -8.673 7.956 5.273 1.00 40.24 H new ATOM 0 HD23 LEU A 88 -9.764 8.593 4.020 1.00 40.24 H new