USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 778 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 10 TYR OH : rot 155:sc= 0.672 USER MOD Set 1.2: A 22 MET CE :methyl -119:sc= -0.258 (180deg=-0.619) USER MOD Set 2.1: A 13 SER OG : rot 84:sc= 0.355 USER MOD Set 2.2: A 18 HIS : no HD1:sc= 0.723 K(o=1.6,f=-2.7) USER MOD Set 2.3: A 20 ASN : amide:sc= 0.542 K(o=1.6,f=-0.63!) USER MOD Set 3.1: A 14 LYS NZ :NH3+ -167:sc= 0.929 (180deg=0) USER MOD Set 3.2: A 16 ASN : amide:sc= 0.797 K(o=1.7,f=-2.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.0527 X(o=-0.053,f=-0.47) USER MOD Single : A 25 LYS NZ :NH3+ -138:sc= 0.816 (180deg=0.0392) USER MOD Single : A 30 ASN : amide:sc= -0.0103 X(o=-0.01,f=-0.0003) 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+ 150:sc= 0.817 (180deg=0.0472) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -59:sc= 0.42 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0517) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.0088) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= 0.02 K(o=0.02,f=-0.72) USER MOD Single : A 91 HIS : no HE2:sc= 0.282 K(o=0.28,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.519 5.893 -0.303 1.00 0.41 N ATOM 2 CA MET A 1 -14.053 5.173 0.907 1.00 11.24 C ATOM 3 C MET A 1 -12.761 4.390 0.594 1.00 31.21 C ATOM 4 O MET A 1 -11.736 4.587 1.259 1.00 64.14 O ATOM 5 CB MET A 1 -15.174 4.241 1.441 1.00 53.53 C ATOM 6 CG MET A 1 -14.805 3.385 2.664 1.00 51.22 C ATOM 7 SD MET A 1 -16.145 2.253 3.123 1.00 14.04 S ATOM 8 CE MET A 1 -15.321 1.129 4.256 1.00 1.41 C ATOM 0 H1 MET A 1 -15.390 6.417 -0.081 1.00 0.41 H new ATOM 0 H2 MET A 1 -13.784 6.559 -0.615 1.00 0.41 H new ATOM 0 H3 MET A 1 -14.711 5.208 -1.062 1.00 0.41 H new ATOM 0 HA MET A 1 -13.822 5.895 1.690 1.00 11.24 H new ATOM 0 HB2 MET A 1 -16.039 4.853 1.697 1.00 53.53 H new ATOM 0 HB3 MET A 1 -15.482 3.575 0.635 1.00 53.53 H new ATOM 0 HG2 MET A 1 -13.903 2.812 2.448 1.00 51.22 H new ATOM 0 HG3 MET A 1 -14.574 4.036 3.507 1.00 51.22 H new ATOM 0 HE1 MET A 1 -16.033 0.384 4.611 1.00 1.41 H new ATOM 0 HE2 MET A 1 -14.500 0.630 3.741 1.00 1.41 H new ATOM 0 HE3 MET A 1 -14.929 1.690 5.104 1.00 1.41 H new ATOM 20 N ARG A 2 -12.816 3.500 -0.425 1.00 43.35 N ATOM 21 CA ARG A 2 -11.647 2.696 -0.851 1.00 11.21 C ATOM 22 C ARG A 2 -10.999 3.291 -2.128 1.00 13.43 C ATOM 23 O ARG A 2 -11.686 3.583 -3.115 1.00 12.52 O ATOM 24 CB ARG A 2 -12.042 1.200 -1.060 1.00 40.13 C ATOM 25 CG ARG A 2 -13.057 0.937 -2.195 1.00 65.05 C ATOM 26 CD ARG A 2 -13.496 -0.536 -2.301 1.00 23.01 C ATOM 27 NE ARG A 2 -14.401 -0.735 -3.446 1.00 65.43 N ATOM 28 CZ ARG A 2 -14.821 -1.916 -3.917 1.00 21.33 C ATOM 29 NH1 ARG A 2 -14.459 -3.067 -3.343 1.00 24.00 N ATOM 30 NH2 ARG A 2 -15.596 -1.936 -4.995 1.00 73.22 N ATOM 0 H ARG A 2 -13.660 3.321 -0.968 1.00 43.35 H new ATOM 0 HA ARG A 2 -10.904 2.734 -0.054 1.00 11.21 H new ATOM 0 HB2 ARG A 2 -11.137 0.628 -1.264 1.00 40.13 H new ATOM 0 HB3 ARG A 2 -12.457 0.817 -0.128 1.00 40.13 H new ATOM 0 HG2 ARG A 2 -13.938 1.559 -2.035 1.00 65.05 H new ATOM 0 HG3 ARG A 2 -12.617 1.245 -3.143 1.00 65.05 H new ATOM 0 HD2 ARG A 2 -12.619 -1.174 -2.411 1.00 23.01 H new ATOM 0 HD3 ARG A 2 -13.996 -0.837 -1.381 1.00 23.01 H new ATOM 0 HE ARG A 2 -14.738 0.102 -3.923 1.00 65.43 H new ATOM 0 HH11 ARG A 2 -13.849 -3.060 -2.526 1.00 24.00 H new ATOM 0 HH12 ARG A 2 -14.793 -3.953 -3.722 1.00 24.00 H new ATOM 0 HH21 ARG A 2 -15.861 -1.062 -5.449 1.00 73.22 H new ATOM 0 HH22 ARG A 2 -15.926 -2.826 -5.369 1.00 73.22 H new ATOM 44 N ILE A 3 -9.670 3.505 -2.072 1.00 65.34 N ATOM 45 CA ILE A 3 -8.845 3.954 -3.218 1.00 42.24 C ATOM 46 C ILE A 3 -8.111 2.718 -3.793 1.00 61.40 C ATOM 47 O ILE A 3 -7.741 1.812 -3.037 1.00 33.43 O ATOM 48 CB ILE A 3 -7.793 5.048 -2.755 1.00 40.30 C ATOM 49 CG1 ILE A 3 -8.502 6.223 -2.001 1.00 11.25 C ATOM 50 CG2 ILE A 3 -6.931 5.578 -3.934 1.00 60.21 C ATOM 51 CD1 ILE A 3 -7.562 7.230 -1.344 1.00 2.11 C ATOM 0 H ILE A 3 -9.129 3.370 -1.218 1.00 65.34 H new ATOM 0 HA ILE A 3 -9.481 4.406 -3.979 1.00 42.24 H new ATOM 0 HB ILE A 3 -7.109 4.558 -2.062 1.00 40.30 H new ATOM 0 HG12 ILE A 3 -9.142 6.753 -2.706 1.00 11.25 H new ATOM 0 HG13 ILE A 3 -9.152 5.802 -1.234 1.00 11.25 H new ATOM 0 HG21 ILE A 3 -6.228 6.324 -3.564 1.00 60.21 H new ATOM 0 HG22 ILE A 3 -6.381 4.751 -4.383 1.00 60.21 H new ATOM 0 HG23 ILE A 3 -7.579 6.031 -4.684 1.00 60.21 H new ATOM 0 HD11 ILE A 3 -8.147 8.004 -0.848 1.00 2.11 H new ATOM 0 HD12 ILE A 3 -6.938 6.720 -0.610 1.00 2.11 H new ATOM 0 HD13 ILE A 3 -6.928 7.686 -2.105 1.00 2.11 H new ATOM 63 N LYS A 4 -7.911 2.666 -5.118 1.00 14.22 N ATOM 64 CA LYS A 4 -7.211 1.540 -5.767 1.00 52.14 C ATOM 65 C LYS A 4 -5.695 1.847 -5.835 1.00 41.51 C ATOM 66 O LYS A 4 -5.285 2.918 -6.308 1.00 55.21 O ATOM 67 CB LYS A 4 -7.823 1.254 -7.174 1.00 0.33 C ATOM 68 CG LYS A 4 -7.739 2.417 -8.188 1.00 45.15 C ATOM 69 CD LYS A 4 -8.523 2.134 -9.493 1.00 51.14 C ATOM 70 CE LYS A 4 -8.050 0.860 -10.215 1.00 63.01 C ATOM 71 NZ LYS A 4 -8.820 0.611 -11.467 1.00 34.32 N ATOM 0 H LYS A 4 -8.223 3.390 -5.765 1.00 14.22 H new ATOM 0 HA LYS A 4 -7.343 0.633 -5.177 1.00 52.14 H new ATOM 0 HB2 LYS A 4 -7.318 0.387 -7.600 1.00 0.33 H new ATOM 0 HB3 LYS A 4 -8.871 0.982 -7.046 1.00 0.33 H new ATOM 0 HG2 LYS A 4 -8.128 3.325 -7.726 1.00 45.15 H new ATOM 0 HG3 LYS A 4 -6.693 2.606 -8.431 1.00 45.15 H new ATOM 0 HD2 LYS A 4 -9.584 2.040 -9.260 1.00 51.14 H new ATOM 0 HD3 LYS A 4 -8.418 2.986 -10.165 1.00 51.14 H new ATOM 0 HE2 LYS A 4 -6.990 0.950 -10.453 1.00 63.01 H new ATOM 0 HE3 LYS A 4 -8.156 0.004 -9.548 1.00 63.01 H new ATOM 0 HZ1 LYS A 4 -8.471 -0.256 -11.923 1.00 34.32 H new ATOM 0 HZ2 LYS A 4 -9.828 0.500 -11.238 1.00 34.32 H new ATOM 0 HZ3 LYS A 4 -8.699 1.416 -12.115 1.00 34.32 H new ATOM 85 N GLY A 5 -4.880 0.932 -5.288 1.00 21.43 N ATOM 86 CA GLY A 5 -3.414 1.036 -5.328 1.00 12.44 C ATOM 87 C GLY A 5 -2.793 -0.191 -5.964 1.00 74.15 C ATOM 88 O GLY A 5 -3.377 -1.257 -5.897 1.00 61.34 O ATOM 0 H GLY A 5 -5.219 0.100 -4.806 1.00 21.43 H new ATOM 0 HA2 GLY A 5 -3.125 1.925 -5.889 1.00 12.44 H new ATOM 0 HA3 GLY A 5 -3.028 1.159 -4.316 1.00 12.44 H new ATOM 92 N VAL A 6 -1.624 -0.045 -6.605 1.00 72.34 N ATOM 93 CA VAL A 6 -0.902 -1.173 -7.220 1.00 1.30 C ATOM 94 C VAL A 6 0.222 -1.668 -6.299 1.00 61.40 C ATOM 95 O VAL A 6 0.961 -0.867 -5.706 1.00 21.23 O ATOM 96 CB VAL A 6 -0.335 -0.781 -8.638 1.00 62.43 C ATOM 97 CG1 VAL A 6 0.577 -1.886 -9.236 1.00 34.31 C ATOM 98 CG2 VAL A 6 -1.508 -0.475 -9.592 1.00 34.44 C ATOM 0 H VAL A 6 -1.153 0.853 -6.712 1.00 72.34 H new ATOM 0 HA VAL A 6 -1.612 -1.989 -7.359 1.00 1.30 H new ATOM 0 HB VAL A 6 0.286 0.107 -8.517 1.00 62.43 H new ATOM 0 HG11 VAL A 6 0.942 -1.568 -10.213 1.00 34.31 H new ATOM 0 HG12 VAL A 6 1.423 -2.059 -8.571 1.00 34.31 H new ATOM 0 HG13 VAL A 6 0.007 -2.809 -9.345 1.00 34.31 H new ATOM 0 HG21 VAL A 6 -1.118 -0.204 -10.573 1.00 34.44 H new ATOM 0 HG22 VAL A 6 -2.141 -1.357 -9.685 1.00 34.44 H new ATOM 0 HG23 VAL A 6 -2.095 0.353 -9.193 1.00 34.44 H new ATOM 108 N VAL A 7 0.301 -3.005 -6.183 1.00 2.43 N ATOM 109 CA VAL A 7 1.376 -3.722 -5.503 1.00 75.10 C ATOM 110 C VAL A 7 2.676 -3.571 -6.318 1.00 11.43 C ATOM 111 O VAL A 7 2.815 -4.186 -7.385 1.00 61.54 O ATOM 112 CB VAL A 7 0.999 -5.249 -5.367 1.00 72.25 C ATOM 113 CG1 VAL A 7 2.103 -6.054 -4.653 1.00 13.33 C ATOM 114 CG2 VAL A 7 -0.375 -5.435 -4.674 1.00 74.33 C ATOM 0 H VAL A 7 -0.406 -3.628 -6.574 1.00 2.43 H new ATOM 0 HA VAL A 7 1.521 -3.307 -4.506 1.00 75.10 H new ATOM 0 HB VAL A 7 0.915 -5.648 -6.378 1.00 72.25 H new ATOM 0 HG11 VAL A 7 1.802 -7.099 -4.581 1.00 13.33 H new ATOM 0 HG12 VAL A 7 3.031 -5.982 -5.220 1.00 13.33 H new ATOM 0 HG13 VAL A 7 2.258 -5.651 -3.652 1.00 13.33 H new ATOM 0 HG21 VAL A 7 -0.603 -6.498 -4.597 1.00 74.33 H new ATOM 0 HG22 VAL A 7 -0.341 -4.998 -3.676 1.00 74.33 H new ATOM 0 HG23 VAL A 7 -1.149 -4.940 -5.261 1.00 74.33 H new ATOM 124 N LEU A 8 3.589 -2.712 -5.842 1.00 75.45 N ATOM 125 CA LEU A 8 4.878 -2.471 -6.515 1.00 52.21 C ATOM 126 C LEU A 8 5.881 -3.574 -6.125 1.00 4.51 C ATOM 127 O LEU A 8 6.349 -4.331 -6.983 1.00 31.15 O ATOM 128 CB LEU A 8 5.446 -1.063 -6.163 1.00 33.35 C ATOM 129 CG LEU A 8 4.497 0.154 -6.415 1.00 72.45 C ATOM 130 CD1 LEU A 8 5.187 1.495 -6.070 1.00 12.11 C ATOM 131 CD2 LEU A 8 3.941 0.161 -7.855 1.00 62.54 C ATOM 0 H LEU A 8 3.459 -2.169 -4.989 1.00 75.45 H new ATOM 0 HA LEU A 8 4.716 -2.499 -7.593 1.00 52.21 H new ATOM 0 HB2 LEU A 8 5.729 -1.063 -5.111 1.00 33.35 H new ATOM 0 HB3 LEU A 8 6.359 -0.909 -6.739 1.00 33.35 H new ATOM 0 HG LEU A 8 3.647 0.040 -5.742 1.00 72.45 H new ATOM 0 HD11 LEU A 8 4.497 2.318 -6.258 1.00 12.11 H new ATOM 0 HD12 LEU A 8 5.476 1.496 -5.019 1.00 12.11 H new ATOM 0 HD13 LEU A 8 6.075 1.617 -6.690 1.00 12.11 H new ATOM 0 HD21 LEU A 8 3.287 1.022 -7.988 1.00 62.54 H new ATOM 0 HD22 LEU A 8 4.767 0.220 -8.564 1.00 62.54 H new ATOM 0 HD23 LEU A 8 3.376 -0.754 -8.031 1.00 62.54 H new ATOM 143 N SER A 9 6.181 -3.678 -4.814 1.00 23.32 N ATOM 144 CA SER A 9 7.194 -4.623 -4.281 1.00 0.23 C ATOM 145 C SER A 9 6.895 -5.015 -2.818 1.00 34.32 C ATOM 146 O SER A 9 6.011 -4.443 -2.176 1.00 15.01 O ATOM 147 CB SER A 9 8.620 -4.003 -4.389 1.00 14.01 C ATOM 148 OG SER A 9 8.967 -3.728 -5.738 1.00 4.43 O ATOM 0 H SER A 9 5.731 -3.113 -4.094 1.00 23.32 H new ATOM 0 HA SER A 9 7.149 -5.530 -4.884 1.00 0.23 H new ATOM 0 HB2 SER A 9 8.663 -3.083 -3.806 1.00 14.01 H new ATOM 0 HB3 SER A 9 9.349 -4.688 -3.957 1.00 14.01 H new ATOM 0 HG SER A 9 9.866 -3.339 -5.772 1.00 4.43 H new ATOM 154 N TYR A 10 7.635 -6.031 -2.320 1.00 13.21 N ATOM 155 CA TYR A 10 7.639 -6.448 -0.899 1.00 4.10 C ATOM 156 C TYR A 10 9.073 -6.375 -0.373 1.00 63.21 C ATOM 157 O TYR A 10 10.030 -6.681 -1.104 1.00 32.02 O ATOM 158 CB TYR A 10 7.107 -7.903 -0.709 1.00 5.52 C ATOM 159 CG TYR A 10 5.634 -8.103 -1.089 1.00 11.21 C ATOM 160 CD1 TYR A 10 5.246 -8.112 -2.424 1.00 73.40 C ATOM 161 CD2 TYR A 10 4.633 -8.279 -0.120 1.00 61.41 C ATOM 162 CE1 TYR A 10 3.933 -8.270 -2.788 1.00 30.24 C ATOM 163 CE2 TYR A 10 3.308 -8.446 -0.490 1.00 23.34 C ATOM 164 CZ TYR A 10 2.971 -8.442 -1.827 1.00 72.33 C ATOM 165 OH TYR A 10 1.661 -8.593 -2.213 1.00 14.11 O ATOM 0 H TYR A 10 8.256 -6.593 -2.903 1.00 13.21 H new ATOM 0 HA TYR A 10 6.978 -5.777 -0.350 1.00 4.10 H new ATOM 0 HB2 TYR A 10 7.717 -8.579 -1.308 1.00 5.52 H new ATOM 0 HB3 TYR A 10 7.241 -8.191 0.334 1.00 5.52 H new ATOM 0 HD1 TYR A 10 5.996 -7.992 -3.192 1.00 73.40 H new ATOM 0 HD2 TYR A 10 4.899 -8.284 0.927 1.00 61.41 H new ATOM 0 HE1 TYR A 10 3.657 -8.259 -3.832 1.00 30.24 H new ATOM 0 HE2 TYR A 10 2.545 -8.578 0.263 1.00 23.34 H new ATOM 0 HH TYR A 10 1.171 -9.085 -1.522 1.00 14.11 H new ATOM 175 N ARG A 11 9.206 -5.965 0.885 1.00 3.44 N ATOM 176 CA ARG A 11 10.481 -5.916 1.597 1.00 3.23 C ATOM 177 C ARG A 11 10.280 -6.466 3.013 1.00 45.41 C ATOM 178 O ARG A 11 9.508 -5.907 3.794 1.00 55.54 O ATOM 179 CB ARG A 11 11.013 -4.463 1.641 1.00 10.13 C ATOM 180 CG ARG A 11 12.382 -4.303 2.351 1.00 2.40 C ATOM 181 CD ARG A 11 12.908 -2.863 2.301 1.00 45.43 C ATOM 182 NE ARG A 11 13.091 -2.394 0.916 1.00 25.13 N ATOM 183 CZ ARG A 11 13.447 -1.152 0.548 1.00 73.11 C ATOM 184 NH1 ARG A 11 13.684 -0.199 1.454 1.00 22.33 N ATOM 185 NH2 ARG A 11 13.564 -0.874 -0.745 1.00 53.44 N ATOM 0 H ARG A 11 8.416 -5.651 1.449 1.00 3.44 H new ATOM 0 HA ARG A 11 11.219 -6.527 1.077 1.00 3.23 H new ATOM 0 HB2 ARG A 11 11.101 -4.090 0.621 1.00 10.13 H new ATOM 0 HB3 ARG A 11 10.279 -3.836 2.147 1.00 10.13 H new ATOM 0 HG2 ARG A 11 12.286 -4.615 3.391 1.00 2.40 H new ATOM 0 HG3 ARG A 11 13.109 -4.968 1.884 1.00 2.40 H new ATOM 0 HD2 ARG A 11 12.211 -2.204 2.819 1.00 45.43 H new ATOM 0 HD3 ARG A 11 13.858 -2.804 2.833 1.00 45.43 H new ATOM 0 HE ARG A 11 12.933 -3.072 0.171 1.00 25.13 H new ATOM 0 HH11 ARG A 11 13.596 -0.408 2.449 1.00 22.33 H new ATOM 0 HH12 ARG A 11 13.953 0.737 1.151 1.00 22.33 H new ATOM 0 HH21 ARG A 11 13.384 -1.598 -1.441 1.00 53.44 H new ATOM 0 HH22 ARG A 11 13.833 0.064 -1.043 1.00 53.44 H new ATOM 199 N ARG A 12 10.962 -7.570 3.341 1.00 2.32 N ATOM 200 CA ARG A 12 10.955 -8.120 4.700 1.00 30.22 C ATOM 201 C ARG A 12 11.813 -7.236 5.619 1.00 24.44 C ATOM 202 O ARG A 12 12.803 -6.634 5.174 1.00 44.03 O ATOM 203 CB ARG A 12 11.474 -9.586 4.709 1.00 22.31 C ATOM 204 CG ARG A 12 12.957 -9.765 4.298 1.00 64.11 C ATOM 205 CD ARG A 12 13.367 -11.244 4.215 1.00 0.12 C ATOM 206 NE ARG A 12 12.522 -11.990 3.260 1.00 24.03 N ATOM 207 CZ ARG A 12 11.862 -13.133 3.525 1.00 24.20 C ATOM 208 NH1 ARG A 12 11.924 -13.702 4.733 1.00 3.15 N ATOM 209 NH2 ARG A 12 11.132 -13.689 2.571 1.00 15.11 N ATOM 0 H ARG A 12 11.528 -8.101 2.679 1.00 2.32 H new ATOM 0 HA ARG A 12 9.930 -8.129 5.070 1.00 30.22 H new ATOM 0 HB2 ARG A 12 11.339 -9.996 5.710 1.00 22.31 H new ATOM 0 HB3 ARG A 12 10.853 -10.178 4.036 1.00 22.31 H new ATOM 0 HG2 ARG A 12 13.123 -9.290 3.331 1.00 64.11 H new ATOM 0 HG3 ARG A 12 13.595 -9.254 5.019 1.00 64.11 H new ATOM 0 HD2 ARG A 12 14.411 -11.316 3.911 1.00 0.12 H new ATOM 0 HD3 ARG A 12 13.290 -11.699 5.202 1.00 0.12 H new ATOM 0 HE ARG A 12 12.431 -11.606 2.319 1.00 24.03 H new ATOM 0 HH11 ARG A 12 12.478 -13.270 5.472 1.00 3.15 H new ATOM 0 HH12 ARG A 12 11.417 -14.568 4.915 1.00 3.15 H new ATOM 0 HH21 ARG A 12 11.076 -13.251 1.651 1.00 15.11 H new ATOM 0 HH22 ARG A 12 10.626 -14.555 2.756 1.00 15.11 H new ATOM 223 N SER A 13 11.390 -7.111 6.876 1.00 21.04 N ATOM 224 CA SER A 13 12.170 -6.455 7.937 1.00 74.32 C ATOM 225 C SER A 13 12.627 -7.498 8.967 1.00 52.11 C ATOM 226 O SER A 13 13.631 -7.294 9.666 1.00 4.10 O ATOM 227 CB SER A 13 11.331 -5.341 8.590 1.00 62.42 C ATOM 228 OG SER A 13 10.043 -5.805 8.961 1.00 4.12 O ATOM 0 H SER A 13 10.488 -7.464 7.195 1.00 21.04 H new ATOM 0 HA SER A 13 13.061 -5.995 7.509 1.00 74.32 H new ATOM 0 HB2 SER A 13 11.850 -4.963 9.471 1.00 62.42 H new ATOM 0 HB3 SER A 13 11.231 -4.506 7.896 1.00 62.42 H new ATOM 0 HG SER A 13 10.093 -6.245 9.835 1.00 4.12 H new ATOM 234 N LYS A 14 11.875 -8.617 9.047 1.00 22.34 N ATOM 235 CA LYS A 14 12.254 -9.790 9.843 1.00 32.21 C ATOM 236 C LYS A 14 11.552 -11.061 9.307 1.00 14.11 C ATOM 237 O LYS A 14 10.465 -10.979 8.717 1.00 63.10 O ATOM 238 CB LYS A 14 11.944 -9.563 11.356 1.00 40.55 C ATOM 239 CG LYS A 14 12.531 -10.646 12.291 1.00 20.33 C ATOM 240 CD LYS A 14 14.081 -10.742 12.214 1.00 33.33 C ATOM 241 CE LYS A 14 14.644 -12.043 12.817 1.00 54.51 C ATOM 242 NZ LYS A 14 14.333 -12.198 14.262 1.00 23.30 N ATOM 0 H LYS A 14 10.987 -8.726 8.558 1.00 22.34 H new ATOM 0 HA LYS A 14 13.330 -9.936 9.748 1.00 32.21 H new ATOM 0 HB2 LYS A 14 12.335 -8.590 11.654 1.00 40.55 H new ATOM 0 HB3 LYS A 14 10.863 -9.527 11.493 1.00 40.55 H new ATOM 0 HG2 LYS A 14 12.237 -10.429 13.318 1.00 20.33 H new ATOM 0 HG3 LYS A 14 12.100 -11.613 12.033 1.00 20.33 H new ATOM 0 HD2 LYS A 14 14.391 -10.670 11.171 1.00 33.33 H new ATOM 0 HD3 LYS A 14 14.517 -9.890 12.736 1.00 33.33 H new ATOM 0 HE2 LYS A 14 14.239 -12.895 12.271 1.00 54.51 H new ATOM 0 HE3 LYS A 14 15.725 -12.062 12.680 1.00 54.51 H new ATOM 0 HZ1 LYS A 14 14.912 -12.964 14.662 1.00 23.30 H new ATOM 0 HZ2 LYS A 14 14.543 -11.309 14.760 1.00 23.30 H new ATOM 0 HZ3 LYS A 14 13.326 -12.430 14.377 1.00 23.30 H new ATOM 256 N GLU A 15 12.232 -12.216 9.496 1.00 43.03 N ATOM 257 CA GLU A 15 11.742 -13.562 9.131 1.00 23.51 C ATOM 258 C GLU A 15 10.443 -13.919 9.875 1.00 41.50 C ATOM 259 O GLU A 15 9.483 -14.394 9.259 1.00 31.34 O ATOM 260 CB GLU A 15 12.834 -14.614 9.472 1.00 25.23 C ATOM 261 CG GLU A 15 12.438 -16.084 9.189 1.00 5.21 C ATOM 262 CD GLU A 15 13.415 -17.110 9.791 1.00 63.51 C ATOM 263 OE1 GLU A 15 13.321 -17.387 11.007 1.00 2.20 O ATOM 264 OE2 GLU A 15 14.277 -17.646 9.060 1.00 32.05 O ATOM 0 H GLU A 15 13.161 -12.236 9.918 1.00 43.03 H new ATOM 0 HA GLU A 15 11.528 -13.564 8.062 1.00 23.51 H new ATOM 0 HB2 GLU A 15 13.733 -14.380 8.902 1.00 25.23 H new ATOM 0 HB3 GLU A 15 13.091 -14.520 10.527 1.00 25.23 H new ATOM 0 HG2 GLU A 15 11.440 -16.266 9.588 1.00 5.21 H new ATOM 0 HG3 GLU A 15 12.383 -16.236 8.111 1.00 5.21 H new ATOM 271 N ASN A 16 10.436 -13.714 11.211 1.00 53.22 N ATOM 272 CA ASN A 16 9.273 -14.058 12.067 1.00 1.33 C ATOM 273 C ASN A 16 8.134 -13.028 11.912 1.00 50.35 C ATOM 274 O ASN A 16 8.317 -11.985 11.273 1.00 34.11 O ATOM 275 CB ASN A 16 9.672 -14.236 13.566 1.00 0.03 C ATOM 276 CG ASN A 16 10.290 -12.996 14.209 1.00 61.52 C ATOM 277 OD1 ASN A 16 11.510 -12.853 14.255 1.00 50.32 O ATOM 278 ND2 ASN A 16 9.458 -12.089 14.706 1.00 64.40 N ATOM 0 H ASN A 16 11.222 -13.312 11.722 1.00 53.22 H new ATOM 0 HA ASN A 16 8.903 -15.023 11.719 1.00 1.33 H new ATOM 0 HB2 ASN A 16 8.786 -14.520 14.133 1.00 0.03 H new ATOM 0 HB3 ASN A 16 10.379 -15.061 13.645 1.00 0.03 H new ATOM 0 HD21 ASN A 16 9.826 -11.244 15.142 1.00 64.40 H new ATOM 0 HD22 ASN A 16 8.450 -12.237 14.652 1.00 64.40 H new ATOM 285 N GLN A 17 6.969 -13.360 12.515 1.00 70.34 N ATOM 286 CA GLN A 17 5.726 -12.567 12.440 1.00 64.32 C ATOM 287 C GLN A 17 5.952 -11.120 12.947 1.00 44.53 C ATOM 288 O GLN A 17 5.964 -10.851 14.154 1.00 13.33 O ATOM 289 CB GLN A 17 4.596 -13.287 13.235 1.00 14.34 C ATOM 290 CG GLN A 17 4.235 -14.688 12.692 1.00 41.11 C ATOM 291 CD GLN A 17 3.128 -15.386 13.492 1.00 3.21 C ATOM 292 OE1 GLN A 17 3.396 -16.102 14.460 1.00 52.33 O ATOM 293 NE2 GLN A 17 1.882 -15.193 13.099 1.00 42.33 N ATOM 0 H GLN A 17 6.868 -14.204 13.078 1.00 70.34 H new ATOM 0 HA GLN A 17 5.418 -12.490 11.397 1.00 64.32 H new ATOM 0 HB2 GLN A 17 4.903 -13.381 14.277 1.00 14.34 H new ATOM 0 HB3 GLN A 17 3.703 -12.663 13.221 1.00 14.34 H new ATOM 0 HG2 GLN A 17 3.919 -14.596 11.653 1.00 41.11 H new ATOM 0 HG3 GLN A 17 5.128 -15.313 12.700 1.00 41.11 H new ATOM 0 HE21 GLN A 17 1.687 -14.596 12.295 1.00 42.33 H new ATOM 0 HE22 GLN A 17 1.114 -15.641 13.599 1.00 42.33 H new ATOM 302 N HIS A 18 6.167 -10.217 11.987 1.00 24.53 N ATOM 303 CA HIS A 18 6.540 -8.811 12.232 1.00 25.14 C ATOM 304 C HIS A 18 5.967 -7.928 11.108 1.00 41.33 C ATOM 305 O HIS A 18 5.699 -8.428 10.005 1.00 40.22 O ATOM 306 CB HIS A 18 8.095 -8.694 12.293 1.00 33.15 C ATOM 307 CG HIS A 18 8.615 -7.303 12.541 1.00 72.01 C ATOM 308 ND1 HIS A 18 9.115 -6.497 11.537 1.00 60.41 N ATOM 309 CD2 HIS A 18 8.696 -6.567 13.676 1.00 31.33 C ATOM 310 CE1 HIS A 18 9.471 -5.335 12.042 1.00 15.24 C ATOM 311 NE2 HIS A 18 9.226 -5.354 13.333 1.00 31.21 N ATOM 0 H HIS A 18 6.086 -10.442 10.995 1.00 24.53 H new ATOM 0 HA HIS A 18 6.128 -8.473 13.183 1.00 25.14 H new ATOM 0 HB2 HIS A 18 8.464 -9.350 13.081 1.00 33.15 H new ATOM 0 HB3 HIS A 18 8.510 -9.060 11.354 1.00 33.15 H new ATOM 0 HD2 HIS A 18 8.398 -6.880 14.666 1.00 31.33 H new ATOM 0 HE1 HIS A 18 9.892 -4.508 11.490 1.00 15.24 H new ATOM 0 HE2 HIS A 18 9.403 -4.584 13.978 1.00 31.21 H new ATOM 320 N ASN A 19 5.765 -6.619 11.396 1.00 43.44 N ATOM 321 CA ASN A 19 5.348 -5.638 10.377 1.00 24.54 C ATOM 322 C ASN A 19 6.468 -5.449 9.334 1.00 72.43 C ATOM 323 O ASN A 19 7.388 -4.641 9.529 1.00 73.40 O ATOM 324 CB ASN A 19 4.955 -4.278 11.019 1.00 33.22 C ATOM 325 CG ASN A 19 3.611 -4.317 11.747 1.00 0.23 C ATOM 326 OD1 ASN A 19 2.560 -4.089 11.142 1.00 4.44 O ATOM 327 ND2 ASN A 19 3.624 -4.586 13.043 1.00 64.34 N ATOM 0 H ASN A 19 5.886 -6.223 12.328 1.00 43.44 H new ATOM 0 HA ASN A 19 4.462 -6.027 9.876 1.00 24.54 H new ATOM 0 HB2 ASN A 19 5.732 -3.978 11.722 1.00 33.22 H new ATOM 0 HB3 ASN A 19 4.917 -3.515 10.242 1.00 33.22 H new ATOM 0 HD21 ASN A 19 2.750 -4.609 13.568 1.00 64.34 H new ATOM 0 HD22 ASN A 19 4.508 -4.771 13.517 1.00 64.34 H new ATOM 334 N ASN A 20 6.413 -6.264 8.264 1.00 25.23 N ATOM 335 CA ASN A 20 7.316 -6.147 7.103 1.00 33.32 C ATOM 336 C ASN A 20 6.738 -5.109 6.140 1.00 21.53 C ATOM 337 O ASN A 20 5.522 -4.897 6.112 1.00 3.11 O ATOM 338 CB ASN A 20 7.501 -7.514 6.382 1.00 72.44 C ATOM 339 CG ASN A 20 8.131 -8.603 7.264 1.00 14.13 C ATOM 340 OD1 ASN A 20 8.860 -8.323 8.223 1.00 40.52 O ATOM 341 ND2 ASN A 20 7.892 -9.857 6.921 1.00 30.32 N ATOM 0 H ASN A 20 5.739 -7.025 8.180 1.00 25.23 H new ATOM 0 HA ASN A 20 8.300 -5.832 7.449 1.00 33.32 H new ATOM 0 HB2 ASN A 20 6.530 -7.862 6.030 1.00 72.44 H new ATOM 0 HB3 ASN A 20 8.126 -7.367 5.501 1.00 72.44 H new ATOM 0 HD21 ASN A 20 8.313 -10.620 7.452 1.00 30.32 H new ATOM 0 HD22 ASN A 20 7.287 -10.062 6.126 1.00 30.32 H new ATOM 348 N VAL A 21 7.604 -4.520 5.311 1.00 14.52 N ATOM 349 CA VAL A 21 7.252 -3.389 4.437 1.00 63.31 C ATOM 350 C VAL A 21 6.694 -3.930 3.109 1.00 62.02 C ATOM 351 O VAL A 21 7.088 -5.002 2.649 1.00 23.21 O ATOM 352 CB VAL A 21 8.522 -2.487 4.144 1.00 61.23 C ATOM 353 CG1 VAL A 21 8.144 -1.189 3.388 1.00 14.33 C ATOM 354 CG2 VAL A 21 9.295 -2.172 5.446 1.00 25.54 C ATOM 0 H VAL A 21 8.577 -4.814 5.224 1.00 14.52 H new ATOM 0 HA VAL A 21 6.502 -2.779 4.940 1.00 63.31 H new ATOM 0 HB VAL A 21 9.182 -3.059 3.492 1.00 61.23 H new ATOM 0 HG11 VAL A 21 9.042 -0.599 3.207 1.00 14.33 H new ATOM 0 HG12 VAL A 21 7.679 -1.445 2.436 1.00 14.33 H new ATOM 0 HG13 VAL A 21 7.444 -0.609 3.989 1.00 14.33 H new ATOM 0 HG21 VAL A 21 10.161 -1.552 5.214 1.00 25.54 H new ATOM 0 HG22 VAL A 21 8.642 -1.639 6.137 1.00 25.54 H new ATOM 0 HG23 VAL A 21 9.628 -3.103 5.906 1.00 25.54 H new ATOM 364 N MET A 22 5.752 -3.198 2.524 1.00 24.30 N ATOM 365 CA MET A 22 5.178 -3.510 1.217 1.00 34.41 C ATOM 366 C MET A 22 5.037 -2.192 0.461 1.00 11.35 C ATOM 367 O MET A 22 4.284 -1.299 0.880 1.00 2.43 O ATOM 368 CB MET A 22 3.820 -4.231 1.403 1.00 34.12 C ATOM 369 CG MET A 22 3.056 -4.579 0.116 1.00 50.40 C ATOM 370 SD MET A 22 1.549 -5.516 0.477 1.00 71.32 S ATOM 371 CE MET A 22 0.681 -5.494 -1.086 1.00 50.42 C ATOM 0 H MET A 22 5.359 -2.358 2.950 1.00 24.30 H new ATOM 0 HA MET A 22 5.814 -4.185 0.644 1.00 34.41 H new ATOM 0 HB2 MET A 22 3.994 -5.153 1.958 1.00 34.12 H new ATOM 0 HB3 MET A 22 3.180 -3.602 2.022 1.00 34.12 H new ATOM 0 HG2 MET A 22 2.798 -3.663 -0.415 1.00 50.40 H new ATOM 0 HG3 MET A 22 3.699 -5.161 -0.545 1.00 50.40 H new ATOM 0 HE1 MET A 22 -0.280 -4.995 -0.961 1.00 50.42 H new ATOM 0 HE2 MET A 22 1.276 -4.957 -1.825 1.00 50.42 H new ATOM 0 HE3 MET A 22 0.518 -6.517 -1.426 1.00 50.42 H new ATOM 381 N ILE A 23 5.830 -2.059 -0.608 1.00 23.12 N ATOM 382 CA ILE A 23 5.859 -0.863 -1.445 1.00 15.24 C ATOM 383 C ILE A 23 4.590 -0.857 -2.325 1.00 14.42 C ATOM 384 O ILE A 23 4.406 -1.742 -3.162 1.00 0.23 O ATOM 385 CB ILE A 23 7.165 -0.815 -2.339 1.00 32.34 C ATOM 386 CG1 ILE A 23 8.462 -1.116 -1.501 1.00 1.53 C ATOM 387 CG2 ILE A 23 7.292 0.544 -3.070 1.00 32.31 C ATOM 388 CD1 ILE A 23 8.770 -0.133 -0.376 1.00 72.51 C ATOM 0 H ILE A 23 6.474 -2.787 -0.916 1.00 23.12 H new ATOM 0 HA ILE A 23 5.878 0.024 -0.811 1.00 15.24 H new ATOM 0 HB ILE A 23 7.067 -1.601 -3.088 1.00 32.34 H new ATOM 0 HG12 ILE A 23 8.370 -2.113 -1.071 1.00 1.53 H new ATOM 0 HG13 ILE A 23 9.314 -1.139 -2.181 1.00 1.53 H new ATOM 0 HG21 ILE A 23 8.198 0.548 -3.676 1.00 32.31 H new ATOM 0 HG22 ILE A 23 6.425 0.694 -3.713 1.00 32.31 H new ATOM 0 HG23 ILE A 23 7.343 1.348 -2.336 1.00 32.31 H new ATOM 0 HD11 ILE A 23 9.684 -0.438 0.133 1.00 72.51 H new ATOM 0 HD12 ILE A 23 8.902 0.866 -0.792 1.00 72.51 H new ATOM 0 HD13 ILE A 23 7.944 -0.124 0.335 1.00 72.51 H new ATOM 400 N ILE A 24 3.701 0.103 -2.062 1.00 25.14 N ATOM 401 CA ILE A 24 2.424 0.290 -2.786 1.00 52.34 C ATOM 402 C ILE A 24 2.415 1.718 -3.366 1.00 62.31 C ATOM 403 O ILE A 24 3.227 2.548 -2.959 1.00 4.23 O ATOM 404 CB ILE A 24 1.190 0.095 -1.798 1.00 64.04 C ATOM 405 CG1 ILE A 24 1.244 -1.305 -1.109 1.00 65.44 C ATOM 406 CG2 ILE A 24 -0.182 0.304 -2.500 1.00 42.14 C ATOM 407 CD1 ILE A 24 0.157 -1.547 -0.074 1.00 43.12 C ATOM 0 H ILE A 24 3.844 0.792 -1.324 1.00 25.14 H new ATOM 0 HA ILE A 24 2.334 -0.447 -3.584 1.00 52.34 H new ATOM 0 HB ILE A 24 1.278 0.869 -1.036 1.00 64.04 H new ATOM 0 HG12 ILE A 24 1.173 -2.075 -1.877 1.00 65.44 H new ATOM 0 HG13 ILE A 24 2.216 -1.421 -0.629 1.00 65.44 H new ATOM 0 HG21 ILE A 24 -0.986 0.158 -1.778 1.00 42.14 H new ATOM 0 HG22 ILE A 24 -0.234 1.316 -2.903 1.00 42.14 H new ATOM 0 HG23 ILE A 24 -0.289 -0.415 -3.312 1.00 42.14 H new ATOM 0 HD11 ILE A 24 0.274 -2.544 0.351 1.00 43.12 H new ATOM 0 HD12 ILE A 24 0.237 -0.803 0.719 1.00 43.12 H new ATOM 0 HD13 ILE A 24 -0.821 -1.468 -0.548 1.00 43.12 H new ATOM 419 N LYS A 25 1.539 1.992 -4.343 1.00 70.11 N ATOM 420 CA LYS A 25 1.195 3.370 -4.724 1.00 34.10 C ATOM 421 C LYS A 25 -0.281 3.431 -5.154 1.00 54.41 C ATOM 422 O LYS A 25 -0.722 2.583 -5.927 1.00 10.43 O ATOM 423 CB LYS A 25 2.119 3.912 -5.846 1.00 14.24 C ATOM 424 CG LYS A 25 1.957 3.279 -7.246 1.00 71.23 C ATOM 425 CD LYS A 25 2.791 4.028 -8.310 1.00 32.23 C ATOM 426 CE LYS A 25 2.381 5.508 -8.415 1.00 61.55 C ATOM 427 NZ LYS A 25 3.194 6.259 -9.401 1.00 54.22 N ATOM 0 H LYS A 25 1.055 1.276 -4.885 1.00 70.11 H new ATOM 0 HA LYS A 25 1.347 4.010 -3.855 1.00 34.10 H new ATOM 0 HB2 LYS A 25 1.951 4.985 -5.936 1.00 14.24 H new ATOM 0 HB3 LYS A 25 3.153 3.777 -5.529 1.00 14.24 H new ATOM 0 HG2 LYS A 25 2.265 2.234 -7.211 1.00 71.23 H new ATOM 0 HG3 LYS A 25 0.905 3.292 -7.532 1.00 71.23 H new ATOM 0 HD2 LYS A 25 3.849 3.960 -8.057 1.00 32.23 H new ATOM 0 HD3 LYS A 25 2.663 3.545 -9.279 1.00 32.23 H new ATOM 0 HE2 LYS A 25 1.329 5.570 -8.695 1.00 61.55 H new ATOM 0 HE3 LYS A 25 2.479 5.978 -7.436 1.00 61.55 H new ATOM 0 HZ1 LYS A 25 3.437 7.192 -9.012 1.00 54.22 H new ATOM 0 HZ2 LYS A 25 4.067 5.731 -9.605 1.00 54.22 H new ATOM 0 HZ3 LYS A 25 2.650 6.381 -10.279 1.00 54.22 H new ATOM 441 N PRO A 26 -1.090 4.403 -4.627 1.00 4.02 N ATOM 442 CA PRO A 26 -2.456 4.642 -5.133 1.00 72.25 C ATOM 443 C PRO A 26 -2.410 5.260 -6.550 1.00 41.44 C ATOM 444 O PRO A 26 -1.702 6.246 -6.764 1.00 64.30 O ATOM 445 CB PRO A 26 -3.082 5.607 -4.080 1.00 43.52 C ATOM 446 CG PRO A 26 -2.112 5.647 -2.921 1.00 55.44 C ATOM 447 CD PRO A 26 -0.758 5.317 -3.506 1.00 1.11 C ATOM 0 HA PRO A 26 -3.045 3.731 -5.241 1.00 72.25 H new ATOM 0 HB2 PRO A 26 -3.228 6.602 -4.501 1.00 43.52 H new ATOM 0 HB3 PRO A 26 -4.060 5.251 -3.758 1.00 43.52 H new ATOM 0 HG2 PRO A 26 -2.106 6.630 -2.450 1.00 55.44 H new ATOM 0 HG3 PRO A 26 -2.392 4.927 -2.152 1.00 55.44 H new ATOM 0 HD2 PRO A 26 -0.241 6.211 -3.854 1.00 1.11 H new ATOM 0 HD3 PRO A 26 -0.108 4.838 -2.774 1.00 1.11 H new ATOM 455 N LEU A 27 -3.142 4.654 -7.510 1.00 22.30 N ATOM 456 CA LEU A 27 -3.176 5.114 -8.925 1.00 21.01 C ATOM 457 C LEU A 27 -3.709 6.554 -9.054 1.00 10.41 C ATOM 458 O LEU A 27 -3.233 7.330 -9.898 1.00 22.02 O ATOM 459 CB LEU A 27 -4.030 4.150 -9.805 1.00 34.14 C ATOM 460 CG LEU A 27 -3.388 2.764 -10.113 1.00 14.45 C ATOM 461 CD1 LEU A 27 -4.350 1.882 -10.941 1.00 42.12 C ATOM 462 CD2 LEU A 27 -2.019 2.928 -10.826 1.00 53.34 C ATOM 0 H LEU A 27 -3.725 3.836 -7.332 1.00 22.30 H new ATOM 0 HA LEU A 27 -2.147 5.105 -9.283 1.00 21.01 H new ATOM 0 HB2 LEU A 27 -4.985 3.984 -9.307 1.00 34.14 H new ATOM 0 HB3 LEU A 27 -4.246 4.647 -10.751 1.00 34.14 H new ATOM 0 HG LEU A 27 -3.207 2.259 -9.164 1.00 14.45 H new ATOM 0 HD11 LEU A 27 -3.879 0.920 -11.143 1.00 42.12 H new ATOM 0 HD12 LEU A 27 -5.272 1.724 -10.381 1.00 42.12 H new ATOM 0 HD13 LEU A 27 -4.579 2.379 -11.884 1.00 42.12 H new ATOM 0 HD21 LEU A 27 -1.594 1.945 -11.029 1.00 53.34 H new ATOM 0 HD22 LEU A 27 -2.160 3.463 -11.765 1.00 53.34 H new ATOM 0 HD23 LEU A 27 -1.340 3.491 -10.186 1.00 53.34 H new ATOM 474 N ASP A 28 -4.699 6.891 -8.215 1.00 60.15 N ATOM 475 CA ASP A 28 -5.319 8.226 -8.214 1.00 54.23 C ATOM 476 C ASP A 28 -4.376 9.269 -7.570 1.00 63.45 C ATOM 477 O ASP A 28 -4.380 10.444 -7.961 1.00 4.33 O ATOM 478 CB ASP A 28 -6.687 8.178 -7.479 1.00 10.15 C ATOM 479 CG ASP A 28 -7.441 9.522 -7.543 1.00 64.13 C ATOM 480 OD1 ASP A 28 -8.081 9.804 -8.583 1.00 33.43 O ATOM 481 OD2 ASP A 28 -7.392 10.303 -6.566 1.00 63.31 O ATOM 0 H ASP A 28 -5.091 6.252 -7.523 1.00 60.15 H new ATOM 0 HA ASP A 28 -5.494 8.532 -9.246 1.00 54.23 H new ATOM 0 HB2 ASP A 28 -7.306 7.397 -7.921 1.00 10.15 H new ATOM 0 HB3 ASP A 28 -6.526 7.905 -6.436 1.00 10.15 H new ATOM 486 N VAL A 29 -3.533 8.806 -6.628 1.00 42.42 N ATOM 487 CA VAL A 29 -2.548 9.652 -5.931 1.00 11.32 C ATOM 488 C VAL A 29 -1.236 9.709 -6.740 1.00 25.43 C ATOM 489 O VAL A 29 -0.407 8.794 -6.705 1.00 4.42 O ATOM 490 CB VAL A 29 -2.321 9.135 -4.465 1.00 14.31 C ATOM 491 CG1 VAL A 29 -1.100 9.781 -3.781 1.00 23.40 C ATOM 492 CG2 VAL A 29 -3.605 9.324 -3.615 1.00 63.20 C ATOM 0 H VAL A 29 -3.517 7.831 -6.328 1.00 42.42 H new ATOM 0 HA VAL A 29 -2.932 10.669 -5.855 1.00 11.32 H new ATOM 0 HB VAL A 29 -2.101 8.070 -4.537 1.00 14.31 H new ATOM 0 HG11 VAL A 29 -0.996 9.383 -2.771 1.00 23.40 H new ATOM 0 HG12 VAL A 29 -0.201 9.556 -4.354 1.00 23.40 H new ATOM 0 HG13 VAL A 29 -1.239 10.861 -3.733 1.00 23.40 H new ATOM 0 HG21 VAL A 29 -3.428 8.960 -2.603 1.00 63.20 H new ATOM 0 HG22 VAL A 29 -3.866 10.382 -3.580 1.00 63.20 H new ATOM 0 HG23 VAL A 29 -4.425 8.763 -4.064 1.00 63.20 H new ATOM 502 N ASN A 30 -1.106 10.791 -7.510 1.00 15.24 N ATOM 503 CA ASN A 30 0.079 11.101 -8.336 1.00 32.30 C ATOM 504 C ASN A 30 0.964 12.159 -7.626 1.00 54.21 C ATOM 505 O ASN A 30 2.068 12.458 -8.077 1.00 44.55 O ATOM 506 CB ASN A 30 -0.414 11.608 -9.729 1.00 52.02 C ATOM 507 CG ASN A 30 0.696 11.825 -10.771 1.00 73.04 C ATOM 508 OD1 ASN A 30 1.044 10.919 -11.536 1.00 71.00 O ATOM 509 ND2 ASN A 30 1.245 13.028 -10.818 1.00 64.33 N ATOM 0 H ASN A 30 -1.837 11.499 -7.583 1.00 15.24 H new ATOM 0 HA ASN A 30 0.691 10.210 -8.476 1.00 32.30 H new ATOM 0 HB2 ASN A 30 -1.131 10.890 -10.128 1.00 52.02 H new ATOM 0 HB3 ASN A 30 -0.949 12.547 -9.589 1.00 52.02 H new ATOM 0 HD21 ASN A 30 1.977 13.228 -11.499 1.00 64.33 H new ATOM 0 HD22 ASN A 30 0.936 13.755 -10.173 1.00 64.33 H new ATOM 516 N SER A 31 0.469 12.705 -6.501 1.00 14.43 N ATOM 517 CA SER A 31 1.140 13.778 -5.742 1.00 34.50 C ATOM 518 C SER A 31 1.501 13.289 -4.331 1.00 43.42 C ATOM 519 O SER A 31 0.764 12.488 -3.742 1.00 3.01 O ATOM 520 CB SER A 31 0.205 15.010 -5.650 1.00 74.55 C ATOM 521 OG SER A 31 -0.195 15.457 -6.940 1.00 43.33 O ATOM 0 H SER A 31 -0.417 12.412 -6.088 1.00 14.43 H new ATOM 0 HA SER A 31 2.058 14.057 -6.259 1.00 34.50 H new ATOM 0 HB2 SER A 31 -0.677 14.756 -5.062 1.00 74.55 H new ATOM 0 HB3 SER A 31 0.716 15.818 -5.126 1.00 74.55 H new ATOM 0 HG SER A 31 -0.785 16.234 -6.849 1.00 43.33 H new ATOM 527 N ARG A 32 2.627 13.799 -3.793 1.00 34.05 N ATOM 528 CA ARG A 32 3.091 13.465 -2.436 1.00 43.11 C ATOM 529 C ARG A 32 2.114 13.974 -1.363 1.00 61.31 C ATOM 530 O ARG A 32 1.936 13.315 -0.353 1.00 24.12 O ATOM 531 CB ARG A 32 4.503 14.046 -2.174 1.00 1.23 C ATOM 532 CG ARG A 32 5.102 13.650 -0.807 1.00 51.01 C ATOM 533 CD ARG A 32 6.490 14.250 -0.554 1.00 15.05 C ATOM 534 NE ARG A 32 6.970 13.941 0.805 1.00 12.21 N ATOM 535 CZ ARG A 32 6.589 14.581 1.924 1.00 11.41 C ATOM 536 NH1 ARG A 32 5.717 15.584 1.884 1.00 42.31 N ATOM 537 NH2 ARG A 32 7.063 14.199 3.093 1.00 64.15 N ATOM 0 H ARG A 32 3.237 14.451 -4.287 1.00 34.05 H new ATOM 0 HA ARG A 32 3.136 12.378 -2.372 1.00 43.11 H new ATOM 0 HB2 ARG A 32 5.175 13.711 -2.964 1.00 1.23 H new ATOM 0 HB3 ARG A 32 4.455 15.133 -2.237 1.00 1.23 H new ATOM 0 HG2 ARG A 32 4.425 13.972 -0.015 1.00 51.01 H new ATOM 0 HG3 ARG A 32 5.168 12.564 -0.748 1.00 51.01 H new ATOM 0 HD2 ARG A 32 7.196 13.861 -1.288 1.00 15.05 H new ATOM 0 HD3 ARG A 32 6.451 15.331 -0.691 1.00 15.05 H new ATOM 0 HE ARG A 32 7.644 13.182 0.904 1.00 12.21 H new ATOM 0 HH11 ARG A 32 5.323 15.882 0.992 1.00 42.31 H new ATOM 0 HH12 ARG A 32 5.442 16.055 2.746 1.00 42.31 H new ATOM 0 HH21 ARG A 32 7.718 13.419 3.148 1.00 64.15 H new ATOM 0 HH22 ARG A 32 6.775 14.684 3.943 1.00 64.15 H new ATOM 551 N GLU A 33 1.484 15.137 -1.610 1.00 65.11 N ATOM 552 CA GLU A 33 0.522 15.754 -0.662 1.00 4.50 C ATOM 553 C GLU A 33 -0.651 14.791 -0.411 1.00 24.42 C ATOM 554 O GLU A 33 -1.075 14.572 0.729 1.00 41.41 O ATOM 555 CB GLU A 33 -0.033 17.109 -1.205 1.00 22.14 C ATOM 556 CG GLU A 33 1.018 18.212 -1.501 1.00 54.30 C ATOM 557 CD GLU A 33 1.845 17.950 -2.773 1.00 64.02 C ATOM 558 OE1 GLU A 33 1.283 18.049 -3.884 1.00 63.42 O ATOM 559 OE2 GLU A 33 3.043 17.598 -2.670 1.00 61.04 O ATOM 0 H GLU A 33 1.622 15.677 -2.464 1.00 65.11 H new ATOM 0 HA GLU A 33 1.054 15.951 0.269 1.00 4.50 H new ATOM 0 HB2 GLU A 33 -0.587 16.909 -2.122 1.00 22.14 H new ATOM 0 HB3 GLU A 33 -0.747 17.502 -0.481 1.00 22.14 H new ATOM 0 HG2 GLU A 33 0.508 19.170 -1.600 1.00 54.30 H new ATOM 0 HG3 GLU A 33 1.693 18.297 -0.650 1.00 54.30 H new ATOM 566 N GLU A 34 -1.131 14.192 -1.512 1.00 33.53 N ATOM 567 CA GLU A 34 -2.246 13.239 -1.500 1.00 10.13 C ATOM 568 C GLU A 34 -1.842 11.923 -0.809 1.00 32.13 C ATOM 569 O GLU A 34 -2.676 11.269 -0.195 1.00 41.42 O ATOM 570 CB GLU A 34 -2.732 12.983 -2.946 1.00 53.40 C ATOM 571 CG GLU A 34 -3.188 14.252 -3.688 1.00 3.20 C ATOM 572 CD GLU A 34 -4.379 14.960 -3.021 1.00 62.25 C ATOM 573 OE1 GLU A 34 -5.529 14.525 -3.232 1.00 73.44 O ATOM 574 OE2 GLU A 34 -4.173 15.940 -2.265 1.00 11.15 O ATOM 0 H GLU A 34 -0.751 14.359 -2.444 1.00 33.53 H new ATOM 0 HA GLU A 34 -3.068 13.668 -0.927 1.00 10.13 H new ATOM 0 HB2 GLU A 34 -1.927 12.514 -3.511 1.00 53.40 H new ATOM 0 HB3 GLU A 34 -3.559 12.273 -2.920 1.00 53.40 H new ATOM 0 HG2 GLU A 34 -2.351 14.947 -3.750 1.00 3.20 H new ATOM 0 HG3 GLU A 34 -3.459 13.988 -4.710 1.00 3.20 H new ATOM 581 N ALA A 35 -0.555 11.558 -0.929 1.00 50.43 N ATOM 582 CA ALA A 35 0.024 10.374 -0.259 1.00 45.41 C ATOM 583 C ALA A 35 0.278 10.633 1.246 1.00 14.11 C ATOM 584 O ALA A 35 0.103 9.740 2.083 1.00 34.04 O ATOM 585 CB ALA A 35 1.335 9.987 -0.969 1.00 20.45 C ATOM 0 H ALA A 35 0.118 12.075 -1.494 1.00 50.43 H new ATOM 0 HA ALA A 35 -0.690 9.553 -0.325 1.00 45.41 H new ATOM 0 HB1 ALA A 35 1.769 9.114 -0.481 1.00 20.45 H new ATOM 0 HB2 ALA A 35 1.128 9.753 -2.013 1.00 20.45 H new ATOM 0 HB3 ALA A 35 2.037 10.819 -0.916 1.00 20.45 H new ATOM 591 N SER A 36 0.660 11.883 1.569 1.00 65.32 N ATOM 592 CA SER A 36 1.183 12.281 2.895 1.00 23.21 C ATOM 593 C SER A 36 0.044 12.483 3.901 1.00 53.11 C ATOM 594 O SER A 36 0.248 12.360 5.114 1.00 4.04 O ATOM 595 CB SER A 36 2.037 13.572 2.760 1.00 21.33 C ATOM 596 OG SER A 36 2.592 13.968 4.003 1.00 53.32 O ATOM 0 H SER A 36 0.614 12.658 0.908 1.00 65.32 H new ATOM 0 HA SER A 36 1.816 11.478 3.273 1.00 23.21 H new ATOM 0 HB2 SER A 36 2.839 13.404 2.041 1.00 21.33 H new ATOM 0 HB3 SER A 36 1.418 14.378 2.365 1.00 21.33 H new ATOM 0 HG SER A 36 3.124 14.782 3.879 1.00 53.32 H new ATOM 602 N LYS A 37 -1.151 12.804 3.391 1.00 4.24 N ATOM 603 CA LYS A 37 -2.360 12.901 4.222 1.00 60.42 C ATOM 604 C LYS A 37 -2.915 11.495 4.553 1.00 62.24 C ATOM 605 O LYS A 37 -3.751 11.345 5.451 1.00 70.25 O ATOM 606 CB LYS A 37 -3.427 13.785 3.521 1.00 72.23 C ATOM 607 CG LYS A 37 -4.027 13.187 2.231 1.00 72.21 C ATOM 608 CD LYS A 37 -4.983 14.166 1.516 1.00 52.14 C ATOM 609 CE LYS A 37 -5.579 13.589 0.225 1.00 45.32 C ATOM 610 NZ LYS A 37 -6.376 14.612 -0.506 1.00 32.24 N ATOM 0 H LYS A 37 -1.308 13.002 2.403 1.00 4.24 H new ATOM 0 HA LYS A 37 -2.097 13.378 5.166 1.00 60.42 H new ATOM 0 HB2 LYS A 37 -4.237 13.977 4.225 1.00 72.23 H new ATOM 0 HB3 LYS A 37 -2.978 14.749 3.282 1.00 72.23 H new ATOM 0 HG2 LYS A 37 -3.220 12.911 1.552 1.00 72.21 H new ATOM 0 HG3 LYS A 37 -4.565 12.271 2.475 1.00 72.21 H new ATOM 0 HD2 LYS A 37 -5.793 14.435 2.195 1.00 52.14 H new ATOM 0 HD3 LYS A 37 -4.445 15.085 1.282 1.00 52.14 H new ATOM 0 HE2 LYS A 37 -4.777 13.223 -0.416 1.00 45.32 H new ATOM 0 HE3 LYS A 37 -6.212 12.734 0.464 1.00 45.32 H new ATOM 0 HZ1 LYS A 37 -6.338 14.418 -1.527 1.00 32.24 H new ATOM 0 HZ2 LYS A 37 -7.364 14.577 -0.184 1.00 32.24 H new ATOM 0 HZ3 LYS A 37 -5.984 15.557 -0.319 1.00 32.24 H new ATOM 624 N LEU A 38 -2.413 10.467 3.826 1.00 1.11 N ATOM 625 CA LEU A 38 -2.813 9.060 4.011 1.00 62.55 C ATOM 626 C LEU A 38 -1.935 8.346 5.067 1.00 50.34 C ATOM 627 O LEU A 38 -2.039 7.129 5.220 1.00 53.23 O ATOM 628 CB LEU A 38 -2.742 8.302 2.647 1.00 52.10 C ATOM 629 CG LEU A 38 -3.706 8.787 1.520 1.00 50.44 C ATOM 630 CD1 LEU A 38 -3.438 8.039 0.189 1.00 2.20 C ATOM 631 CD2 LEU A 38 -5.188 8.660 1.947 1.00 1.14 C ATOM 0 H LEU A 38 -1.716 10.597 3.093 1.00 1.11 H new ATOM 0 HA LEU A 38 -3.839 9.051 4.378 1.00 62.55 H new ATOM 0 HB2 LEU A 38 -1.721 8.371 2.273 1.00 52.10 H new ATOM 0 HB3 LEU A 38 -2.942 7.247 2.834 1.00 52.10 H new ATOM 0 HG LEU A 38 -3.504 9.845 1.351 1.00 50.44 H new ATOM 0 HD11 LEU A 38 -4.126 8.400 -0.576 1.00 2.20 H new ATOM 0 HD12 LEU A 38 -2.412 8.221 -0.131 1.00 2.20 H new ATOM 0 HD13 LEU A 38 -3.588 6.969 0.336 1.00 2.20 H new ATOM 0 HD21 LEU A 38 -5.831 9.007 1.138 1.00 1.14 H new ATOM 0 HD22 LEU A 38 -5.415 7.617 2.169 1.00 1.14 H new ATOM 0 HD23 LEU A 38 -5.364 9.267 2.835 1.00 1.14 H new ATOM 643 N ILE A 39 -1.069 9.086 5.793 1.00 61.13 N ATOM 644 CA ILE A 39 -0.319 8.510 6.934 1.00 24.35 C ATOM 645 C ILE A 39 -1.332 8.140 8.043 1.00 53.11 C ATOM 646 O ILE A 39 -1.850 9.016 8.741 1.00 15.31 O ATOM 647 CB ILE A 39 0.781 9.504 7.491 1.00 41.13 C ATOM 648 CG1 ILE A 39 1.822 9.882 6.390 1.00 51.13 C ATOM 649 CG2 ILE A 39 1.501 8.918 8.738 1.00 20.52 C ATOM 650 CD1 ILE A 39 2.718 8.749 5.927 1.00 40.00 C ATOM 0 H ILE A 39 -0.872 10.071 5.614 1.00 61.13 H new ATOM 0 HA ILE A 39 0.214 7.622 6.593 1.00 24.35 H new ATOM 0 HB ILE A 39 0.262 10.413 7.795 1.00 41.13 H new ATOM 0 HG12 ILE A 39 1.286 10.275 5.526 1.00 51.13 H new ATOM 0 HG13 ILE A 39 2.450 10.688 6.769 1.00 51.13 H new ATOM 0 HG21 ILE A 39 2.249 9.627 9.093 1.00 20.52 H new ATOM 0 HG22 ILE A 39 0.771 8.735 9.527 1.00 20.52 H new ATOM 0 HG23 ILE A 39 1.988 7.981 8.470 1.00 20.52 H new ATOM 0 HD11 ILE A 39 3.403 9.116 5.163 1.00 40.00 H new ATOM 0 HD12 ILE A 39 3.289 8.368 6.773 1.00 40.00 H new ATOM 0 HD13 ILE A 39 2.106 7.948 5.511 1.00 40.00 H new ATOM 662 N GLY A 40 -1.632 6.834 8.160 1.00 43.13 N ATOM 663 CA GLY A 40 -2.629 6.330 9.114 1.00 60.14 C ATOM 664 C GLY A 40 -3.820 5.640 8.443 1.00 14.13 C ATOM 665 O GLY A 40 -4.735 5.189 9.141 1.00 41.40 O ATOM 0 H GLY A 40 -1.192 6.105 7.599 1.00 43.13 H new ATOM 0 HA2 GLY A 40 -2.147 5.627 9.794 1.00 60.14 H new ATOM 0 HA3 GLY A 40 -2.993 7.160 9.719 1.00 60.14 H new ATOM 669 N ARG A 41 -3.820 5.555 7.089 1.00 43.15 N ATOM 670 CA ARG A 41 -4.891 4.860 6.328 1.00 33.30 C ATOM 671 C ARG A 41 -4.744 3.335 6.458 1.00 24.40 C ATOM 672 O ARG A 41 -3.635 2.831 6.698 1.00 22.24 O ATOM 673 CB ARG A 41 -4.892 5.309 4.826 1.00 32.25 C ATOM 674 CG ARG A 41 -3.676 4.864 3.947 1.00 43.13 C ATOM 675 CD ARG A 41 -3.827 3.475 3.285 1.00 0.44 C ATOM 676 NE ARG A 41 -2.709 3.098 2.388 1.00 42.44 N ATOM 677 CZ ARG A 41 -2.370 3.689 1.225 1.00 33.43 C ATOM 678 NH1 ARG A 41 -3.015 4.754 0.762 1.00 24.52 N ATOM 679 NH2 ARG A 41 -1.383 3.180 0.504 1.00 32.41 N ATOM 0 H ARG A 41 -3.091 5.959 6.501 1.00 43.15 H new ATOM 0 HA ARG A 41 -5.854 5.141 6.755 1.00 33.30 H new ATOM 0 HB2 ARG A 41 -5.802 4.930 4.361 1.00 32.25 H new ATOM 0 HB3 ARG A 41 -4.949 6.397 4.798 1.00 32.25 H new ATOM 0 HG2 ARG A 41 -3.519 5.608 3.166 1.00 43.13 H new ATOM 0 HG3 ARG A 41 -2.780 4.859 4.567 1.00 43.13 H new ATOM 0 HD2 ARG A 41 -3.919 2.722 4.067 1.00 0.44 H new ATOM 0 HD3 ARG A 41 -4.756 3.457 2.715 1.00 0.44 H new ATOM 0 HE ARG A 41 -2.135 2.308 2.682 1.00 42.44 H new ATOM 0 HH11 ARG A 41 -3.793 5.149 1.291 1.00 24.52 H new ATOM 0 HH12 ARG A 41 -2.732 5.177 -0.122 1.00 24.52 H new ATOM 0 HH21 ARG A 41 -0.889 2.350 0.830 1.00 32.41 H new ATOM 0 HH22 ARG A 41 -1.117 3.618 -0.378 1.00 32.41 H new ATOM 693 N LEU A 42 -5.855 2.611 6.265 1.00 11.14 N ATOM 694 CA LEU A 42 -5.871 1.141 6.286 1.00 13.23 C ATOM 695 C LEU A 42 -5.725 0.595 4.854 1.00 52.11 C ATOM 696 O LEU A 42 -6.220 1.198 3.901 1.00 41.33 O ATOM 697 CB LEU A 42 -7.185 0.628 6.923 1.00 52.13 C ATOM 698 CG LEU A 42 -7.334 -0.920 7.067 1.00 44.50 C ATOM 699 CD1 LEU A 42 -6.210 -1.522 7.940 1.00 74.15 C ATOM 700 CD2 LEU A 42 -8.735 -1.287 7.605 1.00 24.21 C ATOM 0 H LEU A 42 -6.769 3.028 6.090 1.00 11.14 H new ATOM 0 HA LEU A 42 -5.033 0.787 6.887 1.00 13.23 H new ATOM 0 HB2 LEU A 42 -7.280 1.073 7.913 1.00 52.13 H new ATOM 0 HB3 LEU A 42 -8.019 0.997 6.327 1.00 52.13 H new ATOM 0 HG LEU A 42 -7.232 -1.360 6.075 1.00 44.50 H new ATOM 0 HD11 LEU A 42 -6.347 -2.601 8.017 1.00 74.15 H new ATOM 0 HD12 LEU A 42 -5.243 -1.311 7.484 1.00 74.15 H new ATOM 0 HD13 LEU A 42 -6.246 -1.080 8.936 1.00 74.15 H new ATOM 0 HD21 LEU A 42 -8.817 -2.370 7.698 1.00 24.21 H new ATOM 0 HD22 LEU A 42 -8.881 -0.827 8.582 1.00 24.21 H new ATOM 0 HD23 LEU A 42 -9.496 -0.923 6.915 1.00 24.21 H new ATOM 712 N VAL A 43 -5.009 -0.529 4.719 1.00 70.10 N ATOM 713 CA VAL A 43 -4.899 -1.285 3.464 1.00 33.12 C ATOM 714 C VAL A 43 -5.469 -2.693 3.706 1.00 75.33 C ATOM 715 O VAL A 43 -5.059 -3.368 4.653 1.00 52.43 O ATOM 716 CB VAL A 43 -3.408 -1.429 2.956 1.00 1.51 C ATOM 717 CG1 VAL A 43 -3.372 -1.972 1.513 1.00 44.53 C ATOM 718 CG2 VAL A 43 -2.618 -0.110 3.077 1.00 5.53 C ATOM 0 H VAL A 43 -4.483 -0.944 5.488 1.00 70.10 H new ATOM 0 HA VAL A 43 -5.450 -0.739 2.698 1.00 33.12 H new ATOM 0 HB VAL A 43 -2.914 -2.150 3.607 1.00 1.51 H new ATOM 0 HG11 VAL A 43 -2.337 -2.063 1.184 1.00 44.53 H new ATOM 0 HG12 VAL A 43 -3.850 -2.951 1.481 1.00 44.53 H new ATOM 0 HG13 VAL A 43 -3.903 -1.286 0.853 1.00 44.53 H new ATOM 0 HG21 VAL A 43 -1.601 -0.261 2.716 1.00 5.53 H new ATOM 0 HG22 VAL A 43 -3.104 0.662 2.480 1.00 5.53 H new ATOM 0 HG23 VAL A 43 -2.590 0.203 4.121 1.00 5.53 H new ATOM 728 N LEU A 44 -6.430 -3.107 2.878 1.00 51.22 N ATOM 729 CA LEU A 44 -6.979 -4.467 2.878 1.00 2.03 C ATOM 730 C LEU A 44 -6.618 -5.115 1.541 1.00 73.21 C ATOM 731 O LEU A 44 -7.130 -4.700 0.494 1.00 21.13 O ATOM 732 CB LEU A 44 -8.527 -4.441 3.072 1.00 22.12 C ATOM 733 CG LEU A 44 -9.049 -3.842 4.417 1.00 62.54 C ATOM 734 CD1 LEU A 44 -10.594 -3.830 4.464 1.00 53.43 C ATOM 735 CD2 LEU A 44 -8.459 -4.587 5.634 1.00 25.42 C ATOM 0 H LEU A 44 -6.856 -2.499 2.178 1.00 51.22 H new ATOM 0 HA LEU A 44 -6.559 -5.040 3.704 1.00 2.03 H new ATOM 0 HB2 LEU A 44 -8.964 -3.872 2.252 1.00 22.12 H new ATOM 0 HB3 LEU A 44 -8.899 -5.462 2.985 1.00 22.12 H new ATOM 0 HG LEU A 44 -8.708 -2.808 4.468 1.00 62.54 H new ATOM 0 HD11 LEU A 44 -10.926 -3.407 5.412 1.00 53.43 H new ATOM 0 HD12 LEU A 44 -10.978 -3.225 3.643 1.00 53.43 H new ATOM 0 HD13 LEU A 44 -10.969 -4.849 4.370 1.00 53.43 H new ATOM 0 HD21 LEU A 44 -8.843 -4.144 6.553 1.00 25.42 H new ATOM 0 HD22 LEU A 44 -8.744 -5.638 5.591 1.00 25.42 H new ATOM 0 HD23 LEU A 44 -7.372 -4.505 5.619 1.00 25.42 H new ATOM 747 N TRP A 45 -5.705 -6.092 1.564 1.00 31.04 N ATOM 748 CA TRP A 45 -5.328 -6.842 0.365 1.00 35.41 C ATOM 749 C TRP A 45 -5.353 -8.344 0.679 1.00 42.13 C ATOM 750 O TRP A 45 -4.598 -8.820 1.529 1.00 61.33 O ATOM 751 CB TRP A 45 -3.942 -6.408 -0.167 1.00 21.43 C ATOM 752 CG TRP A 45 -3.590 -7.110 -1.457 1.00 21.04 C ATOM 753 CD1 TRP A 45 -4.140 -6.890 -2.688 1.00 32.42 C ATOM 754 CD2 TRP A 45 -2.653 -8.170 -1.627 1.00 61.44 C ATOM 755 NE1 TRP A 45 -3.596 -7.743 -3.608 1.00 55.21 N ATOM 756 CE2 TRP A 45 -2.681 -8.538 -2.979 1.00 41.35 C ATOM 757 CE3 TRP A 45 -1.792 -8.835 -0.762 1.00 61.44 C ATOM 758 CZ2 TRP A 45 -1.886 -9.548 -3.483 1.00 63.54 C ATOM 759 CZ3 TRP A 45 -0.997 -9.840 -1.262 1.00 75.24 C ATOM 760 CH2 TRP A 45 -1.046 -10.189 -2.614 1.00 32.34 C ATOM 0 H TRP A 45 -5.211 -6.382 2.408 1.00 31.04 H new ATOM 0 HA TRP A 45 -6.049 -6.627 -0.423 1.00 35.41 H new ATOM 0 HB2 TRP A 45 -3.936 -5.330 -0.327 1.00 21.43 H new ATOM 0 HB3 TRP A 45 -3.181 -6.624 0.583 1.00 21.43 H new ATOM 0 HD1 TRP A 45 -4.896 -6.149 -2.904 1.00 32.42 H new ATOM 0 HE1 TRP A 45 -3.834 -7.779 -4.599 1.00 55.21 H new ATOM 0 HE3 TRP A 45 -1.748 -8.568 0.283 1.00 61.44 H new ATOM 0 HZ2 TRP A 45 -1.926 -9.822 -4.527 1.00 63.54 H new ATOM 0 HZ3 TRP A 45 -0.325 -10.367 -0.600 1.00 75.24 H new ATOM 0 HH2 TRP A 45 -0.408 -10.980 -2.980 1.00 32.34 H new ATOM 771 N LYS A 46 -6.230 -9.073 -0.015 1.00 32.30 N ATOM 772 CA LYS A 46 -6.397 -10.514 0.153 1.00 71.11 C ATOM 773 C LYS A 46 -5.385 -11.246 -0.749 1.00 55.14 C ATOM 774 O LYS A 46 -5.514 -11.246 -1.980 1.00 61.32 O ATOM 775 CB LYS A 46 -7.859 -10.905 -0.184 1.00 2.24 C ATOM 776 CG LYS A 46 -8.200 -12.402 0.019 1.00 71.12 C ATOM 777 CD LYS A 46 -9.676 -12.736 -0.327 1.00 32.12 C ATOM 778 CE LYS A 46 -10.040 -12.401 -1.787 1.00 34.11 C ATOM 779 NZ LYS A 46 -11.452 -12.751 -2.109 1.00 74.05 N ATOM 0 H LYS A 46 -6.851 -8.672 -0.718 1.00 32.30 H new ATOM 0 HA LYS A 46 -6.204 -10.806 1.185 1.00 71.11 H new ATOM 0 HB2 LYS A 46 -8.530 -10.308 0.433 1.00 2.24 H new ATOM 0 HB3 LYS A 46 -8.060 -10.640 -1.222 1.00 2.24 H new ATOM 0 HG2 LYS A 46 -7.540 -13.008 -0.602 1.00 71.12 H new ATOM 0 HG3 LYS A 46 -8.003 -12.677 1.055 1.00 71.12 H new ATOM 0 HD2 LYS A 46 -9.855 -13.796 -0.147 1.00 32.12 H new ATOM 0 HD3 LYS A 46 -10.335 -12.183 0.343 1.00 32.12 H new ATOM 0 HE2 LYS A 46 -9.882 -11.337 -1.964 1.00 34.11 H new ATOM 0 HE3 LYS A 46 -9.372 -12.939 -2.459 1.00 34.11 H new ATOM 0 HZ1 LYS A 46 -11.652 -12.509 -3.100 1.00 74.05 H new ATOM 0 HZ2 LYS A 46 -11.598 -13.771 -1.965 1.00 74.05 H new ATOM 0 HZ3 LYS A 46 -12.092 -12.218 -1.486 1.00 74.05 H new ATOM 793 N SER A 47 -4.344 -11.799 -0.111 1.00 61.43 N ATOM 794 CA SER A 47 -3.283 -12.581 -0.773 1.00 42.44 C ATOM 795 C SER A 47 -3.821 -13.890 -1.410 1.00 61.25 C ATOM 796 O SER A 47 -4.837 -14.428 -0.951 1.00 2.31 O ATOM 797 CB SER A 47 -2.174 -12.911 0.264 1.00 31.24 C ATOM 798 OG SER A 47 -2.703 -13.590 1.397 1.00 33.40 O ATOM 0 H SER A 47 -4.211 -11.716 0.897 1.00 61.43 H new ATOM 0 HA SER A 47 -2.878 -11.977 -1.585 1.00 42.44 H new ATOM 0 HB2 SER A 47 -1.408 -13.528 -0.206 1.00 31.24 H new ATOM 0 HB3 SER A 47 -1.689 -11.989 0.585 1.00 31.24 H new ATOM 0 HG SER A 47 -3.387 -13.032 1.823 1.00 33.40 H new ATOM 804 N PRO A 48 -3.139 -14.428 -2.484 1.00 35.21 N ATOM 805 CA PRO A 48 -3.406 -15.800 -3.016 1.00 35.30 C ATOM 806 C PRO A 48 -3.041 -16.917 -1.999 1.00 22.32 C ATOM 807 O PRO A 48 -3.331 -18.093 -2.241 1.00 40.32 O ATOM 808 CB PRO A 48 -2.536 -15.869 -4.301 1.00 32.24 C ATOM 809 CG PRO A 48 -1.463 -14.840 -4.099 1.00 65.34 C ATOM 810 CD PRO A 48 -2.108 -13.725 -3.305 1.00 54.01 C ATOM 0 HA PRO A 48 -4.465 -15.968 -3.215 1.00 35.30 H new ATOM 0 HB2 PRO A 48 -2.109 -16.863 -4.436 1.00 32.24 H new ATOM 0 HB3 PRO A 48 -3.128 -15.653 -5.190 1.00 32.24 H new ATOM 0 HG2 PRO A 48 -0.613 -15.261 -3.563 1.00 65.34 H new ATOM 0 HG3 PRO A 48 -1.087 -14.474 -5.054 1.00 65.34 H new ATOM 0 HD2 PRO A 48 -1.382 -13.207 -2.679 1.00 54.01 H new ATOM 0 HD3 PRO A 48 -2.557 -12.976 -3.958 1.00 54.01 H new ATOM 818 N SER A 49 -2.392 -16.530 -0.876 1.00 52.02 N ATOM 819 CA SER A 49 -2.203 -17.398 0.309 1.00 23.34 C ATOM 820 C SER A 49 -3.569 -17.800 0.916 1.00 34.35 C ATOM 821 O SER A 49 -3.702 -18.854 1.551 1.00 73.35 O ATOM 822 CB SER A 49 -1.372 -16.641 1.376 1.00 61.02 C ATOM 823 OG SER A 49 -0.187 -16.094 0.816 1.00 41.34 O ATOM 0 H SER A 49 -1.983 -15.602 -0.767 1.00 52.02 H new ATOM 0 HA SER A 49 -1.678 -18.301 -0.002 1.00 23.34 H new ATOM 0 HB2 SER A 49 -1.974 -15.842 1.809 1.00 61.02 H new ATOM 0 HB3 SER A 49 -1.113 -17.321 2.188 1.00 61.02 H new ATOM 0 HG SER A 49 0.316 -15.621 1.512 1.00 41.34 H new ATOM 829 N GLY A 50 -4.573 -16.921 0.708 1.00 2.24 N ATOM 830 CA GLY A 50 -5.909 -17.074 1.286 1.00 22.44 C ATOM 831 C GLY A 50 -6.068 -16.271 2.567 1.00 11.44 C ATOM 832 O GLY A 50 -6.901 -16.600 3.419 1.00 3.21 O ATOM 0 H GLY A 50 -4.471 -16.086 0.132 1.00 2.24 H new ATOM 0 HA2 GLY A 50 -6.657 -16.753 0.561 1.00 22.44 H new ATOM 0 HA3 GLY A 50 -6.097 -18.128 1.492 1.00 22.44 H new ATOM 836 N LYS A 51 -5.256 -15.203 2.696 1.00 13.43 N ATOM 837 CA LYS A 51 -5.178 -14.373 3.915 1.00 21.34 C ATOM 838 C LYS A 51 -5.453 -12.906 3.584 1.00 41.33 C ATOM 839 O LYS A 51 -4.967 -12.391 2.579 1.00 2.14 O ATOM 840 CB LYS A 51 -3.767 -14.501 4.560 1.00 41.22 C ATOM 841 CG LYS A 51 -3.389 -15.931 4.987 1.00 1.51 C ATOM 842 CD LYS A 51 -4.305 -16.498 6.099 1.00 54.14 C ATOM 843 CE LYS A 51 -4.147 -15.765 7.443 1.00 70.11 C ATOM 844 NZ LYS A 51 -2.801 -15.970 8.033 1.00 21.45 N ATOM 0 H LYS A 51 -4.632 -14.890 1.953 1.00 13.43 H new ATOM 0 HA LYS A 51 -5.933 -14.726 4.618 1.00 21.34 H new ATOM 0 HB2 LYS A 51 -3.023 -14.138 3.851 1.00 41.22 H new ATOM 0 HB3 LYS A 51 -3.720 -13.850 5.433 1.00 41.22 H new ATOM 0 HG2 LYS A 51 -3.435 -16.587 4.118 1.00 1.51 H new ATOM 0 HG3 LYS A 51 -2.357 -15.938 5.337 1.00 1.51 H new ATOM 0 HD2 LYS A 51 -5.344 -16.431 5.775 1.00 54.14 H new ATOM 0 HD3 LYS A 51 -4.083 -17.556 6.240 1.00 54.14 H new ATOM 0 HE2 LYS A 51 -4.320 -14.699 7.297 1.00 70.11 H new ATOM 0 HE3 LYS A 51 -4.906 -16.119 8.140 1.00 70.11 H new ATOM 0 HZ1 LYS A 51 -2.780 -15.576 8.995 1.00 21.45 H new ATOM 0 HZ2 LYS A 51 -2.590 -16.988 8.071 1.00 21.45 H new ATOM 0 HZ3 LYS A 51 -2.088 -15.490 7.447 1.00 21.45 H new ATOM 858 N ILE A 52 -6.207 -12.238 4.463 1.00 30.10 N ATOM 859 CA ILE A 52 -6.459 -10.795 4.366 1.00 63.33 C ATOM 860 C ILE A 52 -5.292 -10.055 5.047 1.00 75.13 C ATOM 861 O ILE A 52 -5.252 -9.924 6.280 1.00 63.21 O ATOM 862 CB ILE A 52 -7.843 -10.383 5.011 1.00 12.14 C ATOM 863 CG1 ILE A 52 -9.008 -11.224 4.385 1.00 13.12 C ATOM 864 CG2 ILE A 52 -8.098 -8.857 4.850 1.00 73.24 C ATOM 865 CD1 ILE A 52 -10.389 -10.966 4.979 1.00 10.41 C ATOM 0 H ILE A 52 -6.660 -12.682 5.262 1.00 30.10 H new ATOM 0 HA ILE A 52 -6.521 -10.517 3.314 1.00 63.33 H new ATOM 0 HB ILE A 52 -7.805 -10.599 6.079 1.00 12.14 H new ATOM 0 HG12 ILE A 52 -9.047 -11.020 3.315 1.00 13.12 H new ATOM 0 HG13 ILE A 52 -8.773 -12.282 4.500 1.00 13.12 H new ATOM 0 HG21 ILE A 52 -9.056 -8.599 5.302 1.00 73.24 H new ATOM 0 HG22 ILE A 52 -7.302 -8.301 5.345 1.00 73.24 H new ATOM 0 HG23 ILE A 52 -8.115 -8.601 3.791 1.00 73.24 H new ATOM 0 HD11 ILE A 52 -11.124 -11.596 4.478 1.00 10.41 H new ATOM 0 HD12 ILE A 52 -10.376 -11.199 6.044 1.00 10.41 H new ATOM 0 HD13 ILE A 52 -10.655 -9.918 4.840 1.00 10.41 H new ATOM 877 N LEU A 53 -4.307 -9.649 4.232 1.00 70.31 N ATOM 878 CA LEU A 53 -3.150 -8.881 4.695 1.00 24.15 C ATOM 879 C LEU A 53 -3.586 -7.424 4.950 1.00 73.00 C ATOM 880 O LEU A 53 -3.948 -6.703 4.012 1.00 74.42 O ATOM 881 CB LEU A 53 -1.990 -8.937 3.653 1.00 13.03 C ATOM 882 CG LEU A 53 -1.502 -10.352 3.199 1.00 32.13 C ATOM 883 CD1 LEU A 53 -0.204 -10.254 2.355 1.00 24.25 C ATOM 884 CD2 LEU A 53 -1.318 -11.308 4.394 1.00 35.21 C ATOM 0 H LEU A 53 -4.294 -9.846 3.231 1.00 70.31 H new ATOM 0 HA LEU A 53 -2.777 -9.316 5.622 1.00 24.15 H new ATOM 0 HB2 LEU A 53 -2.307 -8.389 2.766 1.00 13.03 H new ATOM 0 HB3 LEU A 53 -1.136 -8.403 4.070 1.00 13.03 H new ATOM 0 HG LEU A 53 -2.283 -10.774 2.566 1.00 32.13 H new ATOM 0 HD11 LEU A 53 0.111 -11.253 2.054 1.00 24.25 H new ATOM 0 HD12 LEU A 53 -0.392 -9.650 1.467 1.00 24.25 H new ATOM 0 HD13 LEU A 53 0.583 -9.790 2.950 1.00 24.25 H new ATOM 0 HD21 LEU A 53 -0.978 -12.279 4.034 1.00 35.21 H new ATOM 0 HD22 LEU A 53 -0.577 -10.896 5.079 1.00 35.21 H new ATOM 0 HD23 LEU A 53 -2.268 -11.426 4.915 1.00 35.21 H new ATOM 896 N LYS A 54 -3.596 -7.024 6.228 1.00 64.42 N ATOM 897 CA LYS A 54 -3.912 -5.650 6.645 1.00 13.51 C ATOM 898 C LYS A 54 -2.610 -4.865 6.868 1.00 34.40 C ATOM 899 O LYS A 54 -1.678 -5.386 7.494 1.00 12.33 O ATOM 900 CB LYS A 54 -4.752 -5.662 7.937 1.00 71.01 C ATOM 901 CG LYS A 54 -6.078 -6.449 7.824 1.00 24.04 C ATOM 902 CD LYS A 54 -6.885 -6.433 9.145 1.00 52.30 C ATOM 903 CE LYS A 54 -7.242 -5.012 9.609 1.00 62.43 C ATOM 904 NZ LYS A 54 -7.934 -5.012 10.925 1.00 4.14 N ATOM 0 H LYS A 54 -3.384 -7.647 7.007 1.00 64.42 H new ATOM 0 HA LYS A 54 -4.492 -5.166 5.860 1.00 13.51 H new ATOM 0 HB2 LYS A 54 -4.155 -6.092 8.741 1.00 71.01 H new ATOM 0 HB3 LYS A 54 -4.976 -4.634 8.221 1.00 71.01 H new ATOM 0 HG2 LYS A 54 -6.684 -6.022 7.025 1.00 24.04 H new ATOM 0 HG3 LYS A 54 -5.863 -7.480 7.545 1.00 24.04 H new ATOM 0 HD2 LYS A 54 -7.802 -7.008 9.012 1.00 52.30 H new ATOM 0 HD3 LYS A 54 -6.307 -6.930 9.924 1.00 52.30 H new ATOM 0 HE2 LYS A 54 -6.333 -4.414 9.678 1.00 62.43 H new ATOM 0 HE3 LYS A 54 -7.880 -4.537 8.864 1.00 62.43 H new ATOM 0 HZ1 LYS A 54 -8.156 -4.034 11.200 1.00 4.14 H new ATOM 0 HZ2 LYS A 54 -8.815 -5.561 10.854 1.00 4.14 H new ATOM 0 HZ3 LYS A 54 -7.315 -5.441 11.642 1.00 4.14 H new ATOM 918 N GLY A 55 -2.559 -3.619 6.354 1.00 54.31 N ATOM 919 CA GLY A 55 -1.368 -2.769 6.441 1.00 40.12 C ATOM 920 C GLY A 55 -1.697 -1.307 6.694 1.00 35.42 C ATOM 921 O GLY A 55 -2.866 -0.907 6.648 1.00 11.10 O ATOM 0 H GLY A 55 -3.343 -3.181 5.870 1.00 54.31 H new ATOM 0 HA2 GLY A 55 -0.726 -3.135 7.242 1.00 40.12 H new ATOM 0 HA3 GLY A 55 -0.801 -2.853 5.514 1.00 40.12 H new ATOM 925 N LYS A 56 -0.651 -0.510 6.971 1.00 74.03 N ATOM 926 CA LYS A 56 -0.768 0.934 7.234 1.00 72.44 C ATOM 927 C LYS A 56 0.541 1.637 6.848 1.00 64.31 C ATOM 928 O LYS A 56 1.629 1.085 7.078 1.00 30.31 O ATOM 929 CB LYS A 56 -1.108 1.175 8.727 1.00 31.23 C ATOM 930 CG LYS A 56 -1.212 2.665 9.137 1.00 2.22 C ATOM 931 CD LYS A 56 -1.740 2.862 10.576 1.00 75.25 C ATOM 932 CE LYS A 56 -3.174 2.336 10.749 1.00 54.43 C ATOM 933 NZ LYS A 56 -3.712 2.614 12.108 1.00 13.34 N ATOM 0 H LYS A 56 0.308 -0.853 7.019 1.00 74.03 H new ATOM 0 HA LYS A 56 -1.575 1.350 6.631 1.00 72.44 H new ATOM 0 HB2 LYS A 56 -2.054 0.683 8.954 1.00 31.23 H new ATOM 0 HB3 LYS A 56 -0.345 0.696 9.341 1.00 31.23 H new ATOM 0 HG2 LYS A 56 -0.230 3.129 9.050 1.00 2.22 H new ATOM 0 HG3 LYS A 56 -1.872 3.182 8.440 1.00 2.22 H new ATOM 0 HD2 LYS A 56 -1.080 2.349 11.276 1.00 75.25 H new ATOM 0 HD3 LYS A 56 -1.711 3.922 10.829 1.00 75.25 H new ATOM 0 HE2 LYS A 56 -3.821 2.796 10.002 1.00 54.43 H new ATOM 0 HE3 LYS A 56 -3.190 1.262 10.566 1.00 54.43 H new ATOM 0 HZ1 LYS A 56 -4.681 2.242 12.181 1.00 13.34 H new ATOM 0 HZ2 LYS A 56 -3.110 2.154 12.820 1.00 13.34 H new ATOM 0 HZ3 LYS A 56 -3.722 3.641 12.274 1.00 13.34 H new ATOM 947 N ILE A 57 0.431 2.857 6.271 1.00 60.42 N ATOM 948 CA ILE A 57 1.605 3.644 5.846 1.00 73.15 C ATOM 949 C ILE A 57 2.376 4.161 7.077 1.00 71.41 C ATOM 950 O ILE A 57 1.802 4.864 7.924 1.00 11.31 O ATOM 951 CB ILE A 57 1.243 4.886 4.940 1.00 34.41 C ATOM 952 CG1 ILE A 57 0.283 4.504 3.785 1.00 41.25 C ATOM 953 CG2 ILE A 57 2.535 5.531 4.364 1.00 74.43 C ATOM 954 CD1 ILE A 57 -0.141 5.687 2.926 1.00 75.40 C ATOM 0 H ILE A 57 -0.462 3.315 6.090 1.00 60.42 H new ATOM 0 HA ILE A 57 2.213 2.962 5.252 1.00 73.15 H new ATOM 0 HB ILE A 57 0.728 5.608 5.574 1.00 34.41 H new ATOM 0 HG12 ILE A 57 0.768 3.762 3.151 1.00 41.25 H new ATOM 0 HG13 ILE A 57 -0.606 4.033 4.204 1.00 41.25 H new ATOM 0 HG21 ILE A 57 2.269 6.386 3.742 1.00 74.43 H new ATOM 0 HG22 ILE A 57 3.172 5.863 5.183 1.00 74.43 H new ATOM 0 HG23 ILE A 57 3.071 4.797 3.762 1.00 74.43 H new ATOM 0 HD11 ILE A 57 -0.812 5.343 2.139 1.00 75.40 H new ATOM 0 HD12 ILE A 57 -0.655 6.421 3.546 1.00 75.40 H new ATOM 0 HD13 ILE A 57 0.740 6.145 2.477 1.00 75.40 H new ATOM 966 N VAL A 58 3.666 3.800 7.157 1.00 70.05 N ATOM 967 CA VAL A 58 4.600 4.335 8.171 1.00 14.31 C ATOM 968 C VAL A 58 5.242 5.646 7.662 1.00 55.11 C ATOM 969 O VAL A 58 5.478 6.575 8.448 1.00 65.05 O ATOM 970 CB VAL A 58 5.702 3.273 8.571 1.00 51.31 C ATOM 971 CG1 VAL A 58 5.056 2.073 9.305 1.00 2.43 C ATOM 972 CG2 VAL A 58 6.519 2.796 7.342 1.00 1.05 C ATOM 0 H VAL A 58 4.096 3.128 6.521 1.00 70.05 H new ATOM 0 HA VAL A 58 4.031 4.554 9.074 1.00 14.31 H new ATOM 0 HB VAL A 58 6.400 3.762 9.250 1.00 51.31 H new ATOM 0 HG11 VAL A 58 5.828 1.352 9.573 1.00 2.43 H new ATOM 0 HG12 VAL A 58 4.558 2.424 10.209 1.00 2.43 H new ATOM 0 HG13 VAL A 58 4.326 1.596 8.651 1.00 2.43 H new ATOM 0 HG21 VAL A 58 7.265 2.068 7.661 1.00 1.05 H new ATOM 0 HG22 VAL A 58 5.849 2.335 6.616 1.00 1.05 H new ATOM 0 HG23 VAL A 58 7.019 3.650 6.884 1.00 1.05 H new ATOM 982 N ARG A 59 5.477 5.726 6.331 1.00 12.33 N ATOM 983 CA ARG A 59 6.052 6.919 5.679 1.00 34.22 C ATOM 984 C ARG A 59 5.896 6.807 4.151 1.00 52.33 C ATOM 985 O ARG A 59 5.916 5.700 3.601 1.00 61.42 O ATOM 986 CB ARG A 59 7.557 7.104 6.064 1.00 61.41 C ATOM 987 CG ARG A 59 8.191 8.453 5.629 1.00 51.23 C ATOM 988 CD ARG A 59 7.406 9.680 6.138 1.00 2.33 C ATOM 989 NE ARG A 59 7.149 9.617 7.591 1.00 64.11 N ATOM 990 CZ ARG A 59 6.166 10.267 8.244 1.00 73.44 C ATOM 991 NH1 ARG A 59 5.315 11.065 7.593 1.00 45.25 N ATOM 992 NH2 ARG A 59 6.034 10.111 9.561 1.00 40.25 N ATOM 0 H ARG A 59 5.273 4.965 5.683 1.00 12.33 H new ATOM 0 HA ARG A 59 5.510 7.797 6.029 1.00 34.22 H new ATOM 0 HB2 ARG A 59 7.653 7.008 7.146 1.00 61.41 H new ATOM 0 HB3 ARG A 59 8.131 6.291 5.620 1.00 61.41 H new ATOM 0 HG2 ARG A 59 9.214 8.504 6.001 1.00 51.23 H new ATOM 0 HG3 ARG A 59 8.245 8.489 4.541 1.00 51.23 H new ATOM 0 HD2 ARG A 59 7.965 10.587 5.909 1.00 2.33 H new ATOM 0 HD3 ARG A 59 6.457 9.748 5.606 1.00 2.33 H new ATOM 0 HE ARG A 59 7.770 9.030 8.149 1.00 64.11 H new ATOM 0 HH11 ARG A 59 5.403 11.190 6.585 1.00 45.25 H new ATOM 0 HH12 ARG A 59 4.577 11.549 8.104 1.00 45.25 H new ATOM 0 HH21 ARG A 59 6.675 9.502 10.069 1.00 40.25 H new ATOM 0 HH22 ARG A 59 5.292 10.601 10.061 1.00 40.25 H new ATOM 1006 N VAL A 60 5.782 7.962 3.469 1.00 33.04 N ATOM 1007 CA VAL A 60 5.644 8.023 1.995 1.00 1.10 C ATOM 1008 C VAL A 60 7.030 8.119 1.352 1.00 24.12 C ATOM 1009 O VAL A 60 8.033 8.332 2.045 1.00 73.33 O ATOM 1010 CB VAL A 60 4.764 9.252 1.536 1.00 61.10 C ATOM 1011 CG1 VAL A 60 3.397 9.223 2.239 1.00 42.11 C ATOM 1012 CG2 VAL A 60 5.483 10.612 1.758 1.00 1.33 C ATOM 0 H VAL A 60 5.783 8.878 3.919 1.00 33.04 H new ATOM 0 HA VAL A 60 5.141 7.112 1.671 1.00 1.10 H new ATOM 0 HB VAL A 60 4.607 9.158 0.462 1.00 61.10 H new ATOM 0 HG11 VAL A 60 2.802 10.076 1.913 1.00 42.11 H new ATOM 0 HG12 VAL A 60 2.877 8.299 1.985 1.00 42.11 H new ATOM 0 HG13 VAL A 60 3.542 9.273 3.318 1.00 42.11 H new ATOM 0 HG21 VAL A 60 4.836 11.424 1.426 1.00 1.33 H new ATOM 0 HG22 VAL A 60 5.707 10.736 2.817 1.00 1.33 H new ATOM 0 HG23 VAL A 60 6.411 10.631 1.186 1.00 1.33 H new ATOM 1022 N HIS A 61 7.073 7.967 0.029 1.00 55.23 N ATOM 1023 CA HIS A 61 8.321 7.964 -0.740 1.00 73.41 C ATOM 1024 C HIS A 61 8.132 8.834 -1.999 1.00 0.43 C ATOM 1025 O HIS A 61 7.498 8.408 -2.971 1.00 10.22 O ATOM 1026 CB HIS A 61 8.686 6.489 -1.091 1.00 21.14 C ATOM 1027 CG HIS A 61 10.018 6.308 -1.768 1.00 63.44 C ATOM 1028 ND1 HIS A 61 10.145 5.944 -3.087 1.00 24.03 N ATOM 1029 CD2 HIS A 61 11.284 6.410 -1.291 1.00 22.41 C ATOM 1030 CE1 HIS A 61 11.420 5.830 -3.394 1.00 24.31 C ATOM 1031 NE2 HIS A 61 12.133 6.108 -2.325 1.00 41.33 N ATOM 0 H HIS A 61 6.239 7.842 -0.545 1.00 55.23 H new ATOM 0 HA HIS A 61 9.145 8.387 -0.165 1.00 73.41 H new ATOM 0 HB2 HIS A 61 8.679 5.900 -0.174 1.00 21.14 H new ATOM 0 HB3 HIS A 61 7.908 6.082 -1.737 1.00 21.14 H new ATOM 0 HD2 HIS A 61 11.570 6.679 -0.285 1.00 22.41 H new ATOM 0 HE1 HIS A 61 11.814 5.555 -4.361 1.00 24.31 H new ATOM 0 HE2 HIS A 61 13.152 6.100 -2.273 1.00 41.33 H new ATOM 1040 N GLY A 62 8.675 10.071 -1.932 1.00 12.44 N ATOM 1041 CA GLY A 62 8.710 11.012 -3.060 1.00 43.41 C ATOM 1042 C GLY A 62 7.344 11.522 -3.533 1.00 3.10 C ATOM 1043 O GLY A 62 6.311 11.275 -2.899 1.00 4.40 O ATOM 0 H GLY A 62 9.103 10.441 -1.083 1.00 12.44 H new ATOM 0 HA2 GLY A 62 9.321 11.869 -2.777 1.00 43.41 H new ATOM 0 HA3 GLY A 62 9.209 10.528 -3.900 1.00 43.41 H new ATOM 1047 N THR A 63 7.368 12.242 -4.671 1.00 54.34 N ATOM 1048 CA THR A 63 6.179 12.853 -5.305 1.00 42.21 C ATOM 1049 C THR A 63 5.567 11.934 -6.376 1.00 24.41 C ATOM 1050 O THR A 63 4.706 12.365 -7.149 1.00 25.41 O ATOM 1051 CB THR A 63 6.557 14.237 -5.930 1.00 4.41 C ATOM 1052 OG1 THR A 63 7.679 14.080 -6.818 1.00 5.00 O ATOM 1053 CG2 THR A 63 6.895 15.286 -4.850 1.00 61.32 C ATOM 0 H THR A 63 8.230 12.420 -5.187 1.00 54.34 H new ATOM 0 HA THR A 63 5.427 12.999 -4.530 1.00 42.21 H new ATOM 0 HB THR A 63 5.689 14.597 -6.483 1.00 4.41 H new ATOM 0 HG1 THR A 63 7.911 14.948 -7.208 1.00 5.00 H new ATOM 0 HG21 THR A 63 7.151 16.231 -5.328 1.00 61.32 H new ATOM 0 HG22 THR A 63 6.032 15.431 -4.200 1.00 61.32 H new ATOM 0 HG23 THR A 63 7.741 14.938 -4.257 1.00 61.32 H new ATOM 1061 N LYS A 64 6.014 10.667 -6.400 1.00 65.51 N ATOM 1062 CA LYS A 64 5.510 9.636 -7.327 1.00 25.24 C ATOM 1063 C LYS A 64 4.106 9.159 -6.899 1.00 63.54 C ATOM 1064 O LYS A 64 3.375 8.568 -7.703 1.00 44.43 O ATOM 1065 CB LYS A 64 6.507 8.427 -7.397 1.00 33.44 C ATOM 1066 CG LYS A 64 7.829 8.664 -8.197 1.00 4.54 C ATOM 1067 CD LYS A 64 8.739 9.767 -7.610 1.00 65.41 C ATOM 1068 CE LYS A 64 10.110 9.863 -8.316 1.00 73.12 C ATOM 1069 NZ LYS A 64 10.003 10.230 -9.757 1.00 32.54 N ATOM 0 H LYS A 64 6.741 10.325 -5.772 1.00 65.51 H new ATOM 0 HA LYS A 64 5.432 10.076 -8.321 1.00 25.24 H new ATOM 0 HB2 LYS A 64 6.770 8.141 -6.379 1.00 33.44 H new ATOM 0 HB3 LYS A 64 5.986 7.579 -7.841 1.00 33.44 H new ATOM 0 HG2 LYS A 64 8.389 7.730 -8.235 1.00 4.54 H new ATOM 0 HG3 LYS A 64 7.576 8.927 -9.224 1.00 4.54 H new ATOM 0 HD2 LYS A 64 8.230 10.728 -7.686 1.00 65.41 H new ATOM 0 HD3 LYS A 64 8.896 9.573 -6.549 1.00 65.41 H new ATOM 0 HE2 LYS A 64 10.724 10.603 -7.804 1.00 73.12 H new ATOM 0 HE3 LYS A 64 10.625 8.906 -8.228 1.00 73.12 H new ATOM 0 HZ1 LYS A 64 10.954 10.278 -10.174 1.00 32.54 H new ATOM 0 HZ2 LYS A 64 9.442 9.512 -10.257 1.00 32.54 H new ATOM 0 HZ3 LYS A 64 9.538 11.156 -9.846 1.00 32.54 H new ATOM 1083 N GLY A 65 3.742 9.439 -5.628 1.00 24.43 N ATOM 1084 CA GLY A 65 2.519 8.909 -5.018 1.00 42.01 C ATOM 1085 C GLY A 65 2.782 7.601 -4.286 1.00 41.30 C ATOM 1086 O GLY A 65 1.886 7.061 -3.627 1.00 72.10 O ATOM 0 H GLY A 65 4.288 10.035 -5.006 1.00 24.43 H new ATOM 0 HA2 GLY A 65 2.112 9.642 -4.321 1.00 42.01 H new ATOM 0 HA3 GLY A 65 1.766 8.750 -5.790 1.00 42.01 H new ATOM 1090 N ALA A 66 4.032 7.102 -4.403 1.00 24.22 N ATOM 1091 CA ALA A 66 4.462 5.846 -3.792 1.00 34.43 C ATOM 1092 C ALA A 66 4.566 5.985 -2.268 1.00 24.51 C ATOM 1093 O ALA A 66 4.993 7.022 -1.753 1.00 22.14 O ATOM 1094 CB ALA A 66 5.797 5.392 -4.396 1.00 64.25 C ATOM 0 H ALA A 66 4.769 7.571 -4.930 1.00 24.22 H new ATOM 0 HA ALA A 66 3.712 5.084 -4.004 1.00 34.43 H new ATOM 0 HB1 ALA A 66 6.106 4.455 -3.932 1.00 64.25 H new ATOM 0 HB2 ALA A 66 5.679 5.244 -5.469 1.00 64.25 H new ATOM 0 HB3 ALA A 66 6.556 6.154 -4.216 1.00 64.25 H new ATOM 1100 N VAL A 67 4.164 4.921 -1.569 1.00 42.24 N ATOM 1101 CA VAL A 67 4.068 4.875 -0.108 1.00 64.21 C ATOM 1102 C VAL A 67 4.658 3.551 0.409 1.00 20.52 C ATOM 1103 O VAL A 67 4.666 2.532 -0.303 1.00 15.41 O ATOM 1104 CB VAL A 67 2.567 5.020 0.372 1.00 43.54 C ATOM 1105 CG1 VAL A 67 1.974 6.403 -0.001 1.00 1.20 C ATOM 1106 CG2 VAL A 67 1.683 3.877 -0.191 1.00 41.21 C ATOM 0 H VAL A 67 3.889 4.046 -2.015 1.00 42.24 H new ATOM 0 HA VAL A 67 4.635 5.712 0.299 1.00 64.21 H new ATOM 0 HB VAL A 67 2.572 4.944 1.459 1.00 43.54 H new ATOM 0 HG11 VAL A 67 0.942 6.462 0.346 1.00 1.20 H new ATOM 0 HG12 VAL A 67 2.562 7.190 0.471 1.00 1.20 H new ATOM 0 HG13 VAL A 67 2.001 6.530 -1.083 1.00 1.20 H new ATOM 0 HG21 VAL A 67 0.658 4.005 0.157 1.00 41.21 H new ATOM 0 HG22 VAL A 67 1.703 3.905 -1.280 1.00 41.21 H new ATOM 0 HG23 VAL A 67 2.066 2.917 0.154 1.00 41.21 H new ATOM 1116 N ARG A 68 5.161 3.577 1.643 1.00 2.34 N ATOM 1117 CA ARG A 68 5.666 2.390 2.335 1.00 30.24 C ATOM 1118 C ARG A 68 4.658 2.013 3.426 1.00 64.43 C ATOM 1119 O ARG A 68 4.573 2.671 4.472 1.00 72.53 O ATOM 1120 CB ARG A 68 7.081 2.684 2.905 1.00 34.53 C ATOM 1121 CG ARG A 68 8.155 2.906 1.807 1.00 73.41 C ATOM 1122 CD ARG A 68 9.467 3.495 2.346 1.00 23.31 C ATOM 1123 NE ARG A 68 9.329 4.919 2.707 1.00 65.31 N ATOM 1124 CZ ARG A 68 10.348 5.720 3.060 1.00 4.41 C ATOM 1125 NH1 ARG A 68 11.590 5.255 3.120 1.00 41.34 N ATOM 1126 NH2 ARG A 68 10.127 7.000 3.315 1.00 1.21 N ATOM 0 H ARG A 68 5.230 4.431 2.196 1.00 2.34 H new ATOM 0 HA ARG A 68 5.769 1.544 1.655 1.00 30.24 H new ATOM 0 HB2 ARG A 68 7.032 3.569 3.539 1.00 34.53 H new ATOM 0 HB3 ARG A 68 7.388 1.853 3.540 1.00 34.53 H new ATOM 0 HG2 ARG A 68 8.366 1.955 1.319 1.00 73.41 H new ATOM 0 HG3 ARG A 68 7.752 3.573 1.045 1.00 73.41 H new ATOM 0 HD2 ARG A 68 9.785 2.929 3.221 1.00 23.31 H new ATOM 0 HD3 ARG A 68 10.249 3.386 1.594 1.00 23.31 H new ATOM 0 HE ARG A 68 8.393 5.324 2.687 1.00 65.31 H new ATOM 0 HH11 ARG A 68 11.780 4.278 2.897 1.00 41.34 H new ATOM 0 HH12 ARG A 68 12.354 5.875 3.390 1.00 41.34 H new ATOM 0 HH21 ARG A 68 9.183 7.379 3.244 1.00 1.21 H new ATOM 0 HH22 ARG A 68 10.901 7.608 3.583 1.00 1.21 H new ATOM 1140 N ALA A 69 3.863 0.975 3.135 1.00 33.32 N ATOM 1141 CA ALA A 69 2.825 0.465 4.031 1.00 73.25 C ATOM 1142 C ALA A 69 3.286 -0.867 4.616 1.00 3.13 C ATOM 1143 O ALA A 69 3.494 -1.830 3.871 1.00 23.12 O ATOM 1144 CB ALA A 69 1.491 0.311 3.269 1.00 54.33 C ATOM 0 H ALA A 69 3.926 0.460 2.257 1.00 33.32 H new ATOM 0 HA ALA A 69 2.658 1.169 4.846 1.00 73.25 H new ATOM 0 HB1 ALA A 69 0.727 -0.069 3.947 1.00 54.33 H new ATOM 0 HB2 ALA A 69 1.181 1.280 2.879 1.00 54.33 H new ATOM 0 HB3 ALA A 69 1.623 -0.387 2.442 1.00 54.33 H new ATOM 1150 N ARG A 70 3.478 -0.917 5.945 1.00 65.35 N ATOM 1151 CA ARG A 70 3.883 -2.156 6.621 1.00 33.21 C ATOM 1152 C ARG A 70 2.642 -2.948 7.023 1.00 13.10 C ATOM 1153 O ARG A 70 1.702 -2.396 7.606 1.00 24.22 O ATOM 1154 CB ARG A 70 4.760 -1.887 7.869 1.00 51.54 C ATOM 1155 CG ARG A 70 6.070 -1.131 7.585 1.00 72.33 C ATOM 1156 CD ARG A 70 7.090 -1.292 8.725 1.00 64.31 C ATOM 1157 NE ARG A 70 6.502 -1.082 10.062 1.00 31.10 N ATOM 1158 CZ ARG A 70 7.086 -1.405 11.234 1.00 75.23 C ATOM 1159 NH1 ARG A 70 8.307 -1.954 11.282 1.00 41.54 N ATOM 1160 NH2 ARG A 70 6.415 -1.209 12.363 1.00 14.22 N ATOM 0 H ARG A 70 3.360 -0.118 6.567 1.00 65.35 H new ATOM 0 HA ARG A 70 4.486 -2.731 5.919 1.00 33.21 H new ATOM 0 HB2 ARG A 70 4.176 -1.315 8.590 1.00 51.54 H new ATOM 0 HB3 ARG A 70 5.001 -2.841 8.339 1.00 51.54 H new ATOM 0 HG2 ARG A 70 6.505 -1.498 6.655 1.00 72.33 H new ATOM 0 HG3 ARG A 70 5.853 -0.073 7.440 1.00 72.33 H new ATOM 0 HD2 ARG A 70 7.524 -2.291 8.678 1.00 64.31 H new ATOM 0 HD3 ARG A 70 7.905 -0.584 8.578 1.00 64.31 H new ATOM 0 HE ARG A 70 5.576 -0.657 10.103 1.00 31.10 H new ATOM 0 HH11 ARG A 70 8.818 -2.137 10.419 1.00 41.54 H new ATOM 0 HH12 ARG A 70 8.726 -2.189 12.182 1.00 41.54 H new ATOM 0 HH21 ARG A 70 5.473 -0.820 12.335 1.00 14.22 H new ATOM 0 HH22 ARG A 70 6.842 -1.448 13.258 1.00 14.22 H new ATOM 1174 N PHE A 71 2.662 -4.244 6.699 1.00 4.50 N ATOM 1175 CA PHE A 71 1.559 -5.175 6.944 1.00 5.23 C ATOM 1176 C PHE A 71 1.872 -6.020 8.175 1.00 61.25 C ATOM 1177 O PHE A 71 3.001 -6.506 8.313 1.00 53.24 O ATOM 1178 CB PHE A 71 1.332 -6.068 5.687 1.00 34.14 C ATOM 1179 CG PHE A 71 0.643 -5.327 4.539 1.00 42.23 C ATOM 1180 CD1 PHE A 71 1.213 -4.193 3.971 1.00 60.43 C ATOM 1181 CD2 PHE A 71 -0.583 -5.756 4.045 1.00 42.30 C ATOM 1182 CE1 PHE A 71 0.577 -3.515 2.954 1.00 24.31 C ATOM 1183 CE2 PHE A 71 -1.216 -5.083 3.023 1.00 33.50 C ATOM 1184 CZ PHE A 71 -0.637 -3.963 2.480 1.00 74.23 C ATOM 0 H PHE A 71 3.464 -4.684 6.249 1.00 4.50 H new ATOM 0 HA PHE A 71 0.640 -4.620 7.133 1.00 5.23 H new ATOM 0 HB2 PHE A 71 2.293 -6.448 5.341 1.00 34.14 H new ATOM 0 HB3 PHE A 71 0.729 -6.932 5.967 1.00 34.14 H new ATOM 0 HD1 PHE A 71 2.167 -3.839 4.332 1.00 60.43 H new ATOM 0 HD2 PHE A 71 -1.048 -6.633 4.470 1.00 42.30 H new ATOM 0 HE1 PHE A 71 1.030 -2.632 2.528 1.00 24.31 H new ATOM 0 HE2 PHE A 71 -2.166 -5.436 2.650 1.00 33.50 H new ATOM 0 HZ PHE A 71 -1.133 -3.433 1.681 1.00 74.23 H new ATOM 1194 N GLU A 72 0.858 -6.181 9.052 1.00 4.35 N ATOM 1195 CA GLU A 72 0.975 -6.935 10.313 1.00 30.41 C ATOM 1196 C GLU A 72 1.491 -8.365 10.060 1.00 63.12 C ATOM 1197 O GLU A 72 2.403 -8.837 10.747 1.00 60.14 O ATOM 1198 CB GLU A 72 -0.393 -6.959 11.065 1.00 51.04 C ATOM 1199 CG GLU A 72 -1.573 -7.569 10.262 1.00 74.54 C ATOM 1200 CD GLU A 72 -2.835 -7.820 11.106 1.00 32.23 C ATOM 1201 OE1 GLU A 72 -2.736 -8.536 12.129 1.00 42.44 O ATOM 1202 OE2 GLU A 72 -3.921 -7.317 10.756 1.00 53.41 O ATOM 0 H GLU A 72 -0.071 -5.787 8.901 1.00 4.35 H new ATOM 0 HA GLU A 72 1.704 -6.428 10.945 1.00 30.41 H new ATOM 0 HB2 GLU A 72 -0.272 -7.524 11.990 1.00 51.04 H new ATOM 0 HB3 GLU A 72 -0.654 -5.939 11.346 1.00 51.04 H new ATOM 0 HG2 GLU A 72 -1.825 -6.900 9.439 1.00 74.54 H new ATOM 0 HG3 GLU A 72 -1.250 -8.511 9.819 1.00 74.54 H new ATOM 1209 N LYS A 73 0.923 -9.012 9.023 1.00 15.12 N ATOM 1210 CA LYS A 73 1.302 -10.372 8.613 1.00 1.31 C ATOM 1211 C LYS A 73 2.617 -10.316 7.826 1.00 1.24 C ATOM 1212 O LYS A 73 3.502 -11.149 8.024 1.00 31.04 O ATOM 1213 CB LYS A 73 0.179 -11.015 7.751 1.00 44.15 C ATOM 1214 CG LYS A 73 -1.235 -10.968 8.381 1.00 61.42 C ATOM 1215 CD LYS A 73 -1.307 -11.628 9.779 1.00 74.53 C ATOM 1216 CE LYS A 73 -2.707 -11.549 10.412 1.00 31.10 C ATOM 1217 NZ LYS A 73 -2.709 -12.121 11.788 1.00 0.25 N ATOM 0 H LYS A 73 0.187 -8.602 8.447 1.00 15.12 H new ATOM 0 HA LYS A 73 1.440 -10.989 9.501 1.00 1.31 H new ATOM 0 HB2 LYS A 73 0.148 -10.510 6.786 1.00 44.15 H new ATOM 0 HB3 LYS A 73 0.440 -12.055 7.558 1.00 44.15 H new ATOM 0 HG2 LYS A 73 -1.555 -9.929 8.461 1.00 61.42 H new ATOM 0 HG3 LYS A 73 -1.938 -11.468 7.715 1.00 61.42 H new ATOM 0 HD2 LYS A 73 -1.011 -12.674 9.696 1.00 74.53 H new ATOM 0 HD3 LYS A 73 -0.588 -11.144 10.440 1.00 74.53 H new ATOM 0 HE2 LYS A 73 -3.035 -10.510 10.447 1.00 31.10 H new ATOM 0 HE3 LYS A 73 -3.421 -12.088 9.790 1.00 31.10 H new ATOM 0 HZ1 LYS A 73 -3.666 -12.054 12.190 1.00 0.25 H new ATOM 0 HZ2 LYS A 73 -2.418 -13.119 11.750 1.00 0.25 H new ATOM 0 HZ3 LYS A 73 -2.044 -11.590 12.386 1.00 0.25 H new ATOM 1231 N GLY A 74 2.712 -9.304 6.930 1.00 44.02 N ATOM 1232 CA GLY A 74 3.905 -9.070 6.110 1.00 10.31 C ATOM 1233 C GLY A 74 4.294 -10.251 5.224 1.00 64.50 C ATOM 1234 O GLY A 74 5.489 -10.485 4.989 1.00 23.13 O ATOM 0 H GLY A 74 1.961 -8.634 6.763 1.00 44.02 H new ATOM 0 HA2 GLY A 74 3.734 -8.197 5.479 1.00 10.31 H new ATOM 0 HA3 GLY A 74 4.742 -8.830 6.766 1.00 10.31 H new ATOM 1238 N LEU A 75 3.272 -10.994 4.741 1.00 44.40 N ATOM 1239 CA LEU A 75 3.473 -12.194 3.911 1.00 73.51 C ATOM 1240 C LEU A 75 4.015 -11.810 2.512 1.00 35.40 C ATOM 1241 O LEU A 75 3.382 -11.016 1.801 1.00 55.41 O ATOM 1242 CB LEU A 75 2.159 -13.035 3.798 1.00 43.43 C ATOM 1243 CG LEU A 75 1.762 -13.847 5.075 1.00 63.42 C ATOM 1244 CD1 LEU A 75 0.454 -14.649 4.854 1.00 73.13 C ATOM 1245 CD2 LEU A 75 2.925 -14.771 5.513 1.00 12.24 C ATOM 0 H LEU A 75 2.291 -10.776 4.917 1.00 44.40 H new ATOM 0 HA LEU A 75 4.219 -12.819 4.402 1.00 73.51 H new ATOM 0 HB2 LEU A 75 1.339 -12.362 3.548 1.00 43.43 H new ATOM 0 HB3 LEU A 75 2.265 -13.731 2.966 1.00 43.43 H new ATOM 0 HG LEU A 75 1.570 -13.138 5.880 1.00 63.42 H new ATOM 0 HD11 LEU A 75 0.208 -15.201 5.761 1.00 73.13 H new ATOM 0 HD12 LEU A 75 -0.358 -13.962 4.616 1.00 73.13 H new ATOM 0 HD13 LEU A 75 0.591 -15.349 4.029 1.00 73.13 H new ATOM 0 HD21 LEU A 75 2.632 -15.328 6.403 1.00 12.24 H new ATOM 0 HD22 LEU A 75 3.158 -15.468 4.708 1.00 12.24 H new ATOM 0 HD23 LEU A 75 3.805 -14.168 5.737 1.00 12.24 H new ATOM 1257 N PRO A 76 5.221 -12.349 2.120 1.00 2.53 N ATOM 1258 CA PRO A 76 5.821 -12.079 0.798 1.00 44.15 C ATOM 1259 C PRO A 76 5.076 -12.858 -0.320 1.00 63.30 C ATOM 1260 O PRO A 76 4.940 -14.088 -0.256 1.00 74.32 O ATOM 1261 CB PRO A 76 7.294 -12.552 0.984 1.00 2.44 C ATOM 1262 CG PRO A 76 7.221 -13.643 2.015 1.00 14.50 C ATOM 1263 CD PRO A 76 6.080 -13.262 2.939 1.00 12.55 C ATOM 0 HA PRO A 76 5.758 -11.036 0.487 1.00 44.15 H new ATOM 0 HB2 PRO A 76 7.712 -12.921 0.047 1.00 2.44 H new ATOM 0 HB3 PRO A 76 7.933 -11.734 1.318 1.00 2.44 H new ATOM 0 HG2 PRO A 76 7.039 -14.611 1.548 1.00 14.50 H new ATOM 0 HG3 PRO A 76 8.159 -13.725 2.565 1.00 14.50 H new ATOM 0 HD2 PRO A 76 5.525 -14.141 3.267 1.00 12.55 H new ATOM 0 HD3 PRO A 76 6.446 -12.763 3.836 1.00 12.55 H new ATOM 1271 N GLY A 77 4.575 -12.119 -1.327 1.00 42.22 N ATOM 1272 CA GLY A 77 3.838 -12.706 -2.453 1.00 61.31 C ATOM 1273 C GLY A 77 4.285 -12.129 -3.786 1.00 21.11 C ATOM 1274 O GLY A 77 4.591 -10.940 -3.871 1.00 72.25 O ATOM 0 H GLY A 77 4.671 -11.105 -1.380 1.00 42.22 H new ATOM 0 HA2 GLY A 77 3.983 -13.786 -2.458 1.00 61.31 H new ATOM 0 HA3 GLY A 77 2.771 -12.528 -2.320 1.00 61.31 H new ATOM 1278 N GLN A 78 4.340 -12.967 -4.837 1.00 22.03 N ATOM 1279 CA GLN A 78 4.653 -12.516 -6.205 1.00 34.42 C ATOM 1280 C GLN A 78 3.337 -12.108 -6.888 1.00 14.31 C ATOM 1281 O GLN A 78 2.785 -12.820 -7.735 1.00 22.22 O ATOM 1282 CB GLN A 78 5.423 -13.611 -6.993 1.00 42.11 C ATOM 1283 CG GLN A 78 5.917 -13.163 -8.384 1.00 52.24 C ATOM 1284 CD GLN A 78 6.677 -14.257 -9.131 1.00 64.33 C ATOM 1285 OE1 GLN A 78 7.899 -14.382 -9.003 1.00 74.44 O ATOM 1286 NE2 GLN A 78 5.966 -15.063 -9.910 1.00 15.22 N ATOM 0 H GLN A 78 4.170 -13.970 -4.763 1.00 22.03 H new ATOM 0 HA GLN A 78 5.317 -11.652 -6.178 1.00 34.42 H new ATOM 0 HB2 GLN A 78 6.281 -13.932 -6.402 1.00 42.11 H new ATOM 0 HB3 GLN A 78 4.775 -14.479 -7.113 1.00 42.11 H new ATOM 0 HG2 GLN A 78 5.062 -12.849 -8.983 1.00 52.24 H new ATOM 0 HG3 GLN A 78 6.563 -12.293 -8.270 1.00 52.24 H new ATOM 0 HE21 GLN A 78 4.958 -14.933 -9.994 1.00 15.22 H new ATOM 0 HE22 GLN A 78 6.428 -15.813 -10.425 1.00 15.22 H new ATOM 1295 N ALA A 79 2.797 -10.990 -6.406 1.00 2.45 N ATOM 1296 CA ALA A 79 1.537 -10.401 -6.875 1.00 3.41 C ATOM 1297 C ALA A 79 1.778 -8.979 -7.407 1.00 52.42 C ATOM 1298 O ALA A 79 0.883 -8.125 -7.366 1.00 4.13 O ATOM 1299 CB ALA A 79 0.520 -10.430 -5.730 1.00 74.41 C ATOM 0 H ALA A 79 3.233 -10.451 -5.658 1.00 2.45 H new ATOM 0 HA ALA A 79 1.133 -10.982 -7.704 1.00 3.41 H new ATOM 0 HB1 ALA A 79 -0.420 -9.994 -6.068 1.00 74.41 H new ATOM 0 HB2 ALA A 79 0.352 -11.461 -5.419 1.00 74.41 H new ATOM 0 HB3 ALA A 79 0.904 -9.855 -4.887 1.00 74.41 H new ATOM 1305 N LEU A 80 3.001 -8.742 -7.913 1.00 53.24 N ATOM 1306 CA LEU A 80 3.448 -7.410 -8.348 1.00 22.44 C ATOM 1307 C LEU A 80 2.648 -6.958 -9.599 1.00 14.22 C ATOM 1308 O LEU A 80 2.877 -7.452 -10.712 1.00 74.21 O ATOM 1309 CB LEU A 80 4.991 -7.428 -8.607 1.00 3.34 C ATOM 1310 CG LEU A 80 5.873 -8.082 -7.478 1.00 10.25 C ATOM 1311 CD1 LEU A 80 7.381 -7.936 -7.767 1.00 31.41 C ATOM 1312 CD2 LEU A 80 5.520 -7.529 -6.078 1.00 0.02 C ATOM 0 H LEU A 80 3.706 -9.469 -8.031 1.00 53.24 H new ATOM 0 HA LEU A 80 3.254 -6.681 -7.561 1.00 22.44 H new ATOM 0 HB2 LEU A 80 5.177 -7.961 -9.540 1.00 3.34 H new ATOM 0 HB3 LEU A 80 5.327 -6.401 -8.754 1.00 3.34 H new ATOM 0 HG LEU A 80 5.641 -9.147 -7.480 1.00 10.25 H new ATOM 0 HD11 LEU A 80 7.952 -8.401 -6.963 1.00 31.41 H new ATOM 0 HD12 LEU A 80 7.619 -8.425 -8.712 1.00 31.41 H new ATOM 0 HD13 LEU A 80 7.639 -6.879 -7.831 1.00 31.41 H new ATOM 0 HD21 LEU A 80 6.151 -8.006 -5.328 1.00 0.02 H new ATOM 0 HD22 LEU A 80 5.686 -6.452 -6.060 1.00 0.02 H new ATOM 0 HD23 LEU A 80 4.473 -7.738 -5.857 1.00 0.02 H new ATOM 1324 N GLY A 81 1.685 -6.033 -9.385 1.00 3.15 N ATOM 1325 CA GLY A 81 0.758 -5.570 -10.435 1.00 11.52 C ATOM 1326 C GLY A 81 -0.712 -5.729 -10.047 1.00 60.31 C ATOM 1327 O GLY A 81 -1.598 -5.374 -10.835 1.00 1.30 O ATOM 0 H GLY A 81 1.531 -5.589 -8.480 1.00 3.15 H new ATOM 0 HA2 GLY A 81 0.959 -4.521 -10.653 1.00 11.52 H new ATOM 0 HA3 GLY A 81 0.948 -6.128 -11.352 1.00 11.52 H new ATOM 1331 N ASP A 82 -0.976 -6.290 -8.846 1.00 71.42 N ATOM 1332 CA ASP A 82 -2.350 -6.449 -8.302 1.00 12.41 C ATOM 1333 C ASP A 82 -2.827 -5.166 -7.607 1.00 5.44 C ATOM 1334 O ASP A 82 -2.063 -4.213 -7.459 1.00 42.10 O ATOM 1335 CB ASP A 82 -2.432 -7.668 -7.336 1.00 75.11 C ATOM 1336 CG ASP A 82 -2.543 -9.000 -8.095 1.00 12.23 C ATOM 1337 OD1 ASP A 82 -3.683 -9.425 -8.401 1.00 41.40 O ATOM 1338 OD2 ASP A 82 -1.509 -9.610 -8.428 1.00 31.13 O ATOM 0 H ASP A 82 -0.248 -6.645 -8.226 1.00 71.42 H new ATOM 0 HA ASP A 82 -3.017 -6.639 -9.143 1.00 12.41 H new ATOM 0 HB2 ASP A 82 -1.547 -7.686 -6.700 1.00 75.11 H new ATOM 0 HB3 ASP A 82 -3.294 -7.552 -6.679 1.00 75.11 H new ATOM 1343 N TYR A 83 -4.105 -5.153 -7.182 1.00 12.53 N ATOM 1344 CA TYR A 83 -4.760 -3.953 -6.628 1.00 34.11 C ATOM 1345 C TYR A 83 -5.140 -4.154 -5.153 1.00 31.31 C ATOM 1346 O TYR A 83 -5.776 -5.151 -4.796 1.00 44.34 O ATOM 1347 CB TYR A 83 -6.015 -3.595 -7.463 1.00 43.05 C ATOM 1348 CG TYR A 83 -5.708 -3.296 -8.938 1.00 61.31 C ATOM 1349 CD1 TYR A 83 -5.644 -4.326 -9.885 1.00 31.03 C ATOM 1350 CD2 TYR A 83 -5.460 -1.993 -9.382 1.00 40.04 C ATOM 1351 CE1 TYR A 83 -5.334 -4.072 -11.204 1.00 1.24 C ATOM 1352 CE2 TYR A 83 -5.157 -1.738 -10.709 1.00 32.43 C ATOM 1353 CZ TYR A 83 -5.099 -2.780 -11.614 1.00 42.01 C ATOM 1354 OH TYR A 83 -4.789 -2.532 -12.933 1.00 4.52 O ATOM 0 H TYR A 83 -4.711 -5.973 -7.213 1.00 12.53 H new ATOM 0 HA TYR A 83 -4.050 -3.128 -6.681 1.00 34.11 H new ATOM 0 HB2 TYR A 83 -6.725 -4.420 -7.408 1.00 43.05 H new ATOM 0 HB3 TYR A 83 -6.501 -2.727 -7.019 1.00 43.05 H new ATOM 0 HD1 TYR A 83 -5.842 -5.341 -9.575 1.00 31.03 H new ATOM 0 HD2 TYR A 83 -5.505 -1.174 -8.680 1.00 40.04 H new ATOM 0 HE1 TYR A 83 -5.276 -4.885 -11.913 1.00 1.24 H new ATOM 0 HE2 TYR A 83 -4.966 -0.726 -11.036 1.00 32.43 H new ATOM 0 HH TYR A 83 -4.653 -1.570 -13.062 1.00 4.52 H new ATOM 1364 N VAL A 84 -4.751 -3.181 -4.314 1.00 32.24 N ATOM 1365 CA VAL A 84 -5.077 -3.141 -2.880 1.00 53.25 C ATOM 1366 C VAL A 84 -6.267 -2.184 -2.646 1.00 24.11 C ATOM 1367 O VAL A 84 -6.525 -1.286 -3.470 1.00 24.31 O ATOM 1368 CB VAL A 84 -3.828 -2.674 -2.031 1.00 24.24 C ATOM 1369 CG1 VAL A 84 -2.589 -3.553 -2.314 1.00 72.11 C ATOM 1370 CG2 VAL A 84 -3.493 -1.184 -2.264 1.00 54.21 C ATOM 0 H VAL A 84 -4.191 -2.385 -4.619 1.00 32.24 H new ATOM 0 HA VAL A 84 -5.350 -4.145 -2.556 1.00 53.25 H new ATOM 0 HB VAL A 84 -4.103 -2.795 -0.983 1.00 24.24 H new ATOM 0 HG11 VAL A 84 -1.750 -3.203 -1.713 1.00 72.11 H new ATOM 0 HG12 VAL A 84 -2.812 -4.589 -2.058 1.00 72.11 H new ATOM 0 HG13 VAL A 84 -2.331 -3.488 -3.371 1.00 72.11 H new ATOM 0 HG21 VAL A 84 -2.628 -0.907 -1.661 1.00 54.21 H new ATOM 0 HG22 VAL A 84 -3.267 -1.022 -3.318 1.00 54.21 H new ATOM 0 HG23 VAL A 84 -4.347 -0.570 -1.978 1.00 54.21 H new ATOM 1380 N GLU A 85 -6.988 -2.392 -1.532 1.00 73.33 N ATOM 1381 CA GLU A 85 -8.131 -1.544 -1.136 1.00 23.22 C ATOM 1382 C GLU A 85 -7.704 -0.607 0.006 1.00 15.12 C ATOM 1383 O GLU A 85 -7.476 -1.039 1.135 1.00 61.12 O ATOM 1384 CB GLU A 85 -9.337 -2.427 -0.717 1.00 72.13 C ATOM 1385 CG GLU A 85 -9.824 -3.375 -1.835 1.00 53.51 C ATOM 1386 CD GLU A 85 -11.058 -4.208 -1.450 1.00 13.12 C ATOM 1387 OE1 GLU A 85 -12.200 -3.739 -1.669 1.00 51.23 O ATOM 1388 OE2 GLU A 85 -10.889 -5.339 -0.939 1.00 30.41 O ATOM 0 H GLU A 85 -6.797 -3.152 -0.879 1.00 73.33 H new ATOM 0 HA GLU A 85 -8.444 -0.936 -1.985 1.00 23.22 H new ATOM 0 HB2 GLU A 85 -9.058 -3.019 0.155 1.00 72.13 H new ATOM 0 HB3 GLU A 85 -10.162 -1.782 -0.414 1.00 72.13 H new ATOM 0 HG2 GLU A 85 -10.057 -2.786 -2.722 1.00 53.51 H new ATOM 0 HG3 GLU A 85 -9.012 -4.050 -2.105 1.00 53.51 H new ATOM 1395 N ILE A 86 -7.605 0.680 -0.316 1.00 71.43 N ATOM 1396 CA ILE A 86 -7.141 1.727 0.601 1.00 62.41 C ATOM 1397 C ILE A 86 -8.351 2.323 1.327 1.00 11.42 C ATOM 1398 O ILE A 86 -9.026 3.229 0.825 1.00 31.12 O ATOM 1399 CB ILE A 86 -6.354 2.804 -0.230 1.00 14.35 C ATOM 1400 CG1 ILE A 86 -5.044 2.164 -0.804 1.00 41.32 C ATOM 1401 CG2 ILE A 86 -6.087 4.108 0.565 1.00 14.24 C ATOM 1402 CD1 ILE A 86 -4.378 2.947 -1.915 1.00 43.24 C ATOM 0 H ILE A 86 -7.849 1.036 -1.240 1.00 71.43 H new ATOM 0 HA ILE A 86 -6.467 1.325 1.358 1.00 62.41 H new ATOM 0 HB ILE A 86 -6.981 3.116 -1.065 1.00 14.35 H new ATOM 0 HG12 ILE A 86 -4.331 2.042 0.011 1.00 41.32 H new ATOM 0 HG13 ILE A 86 -5.278 1.166 -1.174 1.00 41.32 H new ATOM 0 HG21 ILE A 86 -5.540 4.812 -0.063 1.00 14.24 H new ATOM 0 HG22 ILE A 86 -7.036 4.552 0.866 1.00 14.24 H new ATOM 0 HG23 ILE A 86 -5.496 3.879 1.452 1.00 14.24 H new ATOM 0 HD11 ILE A 86 -3.481 2.422 -2.243 1.00 43.24 H new ATOM 0 HD12 ILE A 86 -5.067 3.047 -2.753 1.00 43.24 H new ATOM 0 HD13 ILE A 86 -4.105 3.937 -1.549 1.00 43.24 H new ATOM 1414 N VAL A 87 -8.640 1.766 2.501 1.00 4.40 N ATOM 1415 CA VAL A 87 -9.782 2.169 3.306 1.00 22.31 C ATOM 1416 C VAL A 87 -9.432 3.425 4.118 1.00 1.10 C ATOM 1417 O VAL A 87 -8.629 3.374 5.067 1.00 71.24 O ATOM 1418 CB VAL A 87 -10.252 0.996 4.242 1.00 43.05 C ATOM 1419 CG1 VAL A 87 -11.472 1.405 5.095 1.00 15.20 C ATOM 1420 CG2 VAL A 87 -10.543 -0.278 3.408 1.00 74.24 C ATOM 0 H VAL A 87 -8.084 1.020 2.919 1.00 4.40 H new ATOM 0 HA VAL A 87 -10.613 2.408 2.642 1.00 22.31 H new ATOM 0 HB VAL A 87 -9.441 0.770 4.935 1.00 43.05 H new ATOM 0 HG11 VAL A 87 -11.769 0.570 5.729 1.00 15.20 H new ATOM 0 HG12 VAL A 87 -11.210 2.259 5.719 1.00 15.20 H new ATOM 0 HG13 VAL A 87 -12.300 1.675 4.440 1.00 15.20 H new ATOM 0 HG21 VAL A 87 -10.867 -1.080 4.071 1.00 74.24 H new ATOM 0 HG22 VAL A 87 -11.329 -0.067 2.683 1.00 74.24 H new ATOM 0 HG23 VAL A 87 -9.638 -0.584 2.883 1.00 74.24 H new ATOM 1430 N LEU A 88 -9.986 4.561 3.680 1.00 5.12 N ATOM 1431 CA LEU A 88 -10.001 5.788 4.462 1.00 41.41 C ATOM 1432 C LEU A 88 -11.041 5.580 5.577 1.00 63.12 C ATOM 1433 O LEU A 88 -12.253 5.604 5.322 1.00 52.44 O ATOM 1434 CB LEU A 88 -10.334 7.016 3.546 1.00 24.23 C ATOM 1435 CG LEU A 88 -9.891 8.438 4.060 1.00 44.44 C ATOM 1436 CD1 LEU A 88 -10.681 8.918 5.308 1.00 30.40 C ATOM 1437 CD2 LEU A 88 -8.365 8.469 4.315 1.00 24.53 C ATOM 0 H LEU A 88 -10.436 4.649 2.769 1.00 5.12 H new ATOM 0 HA LEU A 88 -9.028 6.004 4.902 1.00 41.41 H new ATOM 0 HB2 LEU A 88 -9.870 6.848 2.574 1.00 24.23 H new ATOM 0 HB3 LEU A 88 -11.412 7.035 3.385 1.00 24.23 H new ATOM 0 HG LEU A 88 -10.133 9.146 3.267 1.00 44.44 H new ATOM 0 HD11 LEU A 88 -10.324 9.903 5.608 1.00 30.40 H new ATOM 0 HD12 LEU A 88 -11.743 8.974 5.067 1.00 30.40 H new ATOM 0 HD13 LEU A 88 -10.531 8.214 6.126 1.00 30.40 H new ATOM 0 HD21 LEU A 88 -8.075 9.458 4.670 1.00 24.53 H new ATOM 0 HD22 LEU A 88 -8.107 7.724 5.067 1.00 24.53 H new ATOM 0 HD23 LEU A 88 -7.837 8.247 3.388 1.00 24.53 H new ATOM 1449 N GLU A 89 -10.539 5.302 6.786 1.00 21.43 N ATOM 1450 CA GLU A 89 -11.366 4.959 7.950 1.00 73.41 C ATOM 1451 C GLU A 89 -12.006 6.212 8.577 1.00 73.12 C ATOM 1452 O GLU A 89 -11.564 7.349 8.345 1.00 3.53 O ATOM 1453 CB GLU A 89 -10.508 4.218 9.004 1.00 23.21 C ATOM 1454 CG GLU A 89 -9.821 2.938 8.487 1.00 11.24 C ATOM 1455 CD GLU A 89 -9.041 2.199 9.587 1.00 24.54 C ATOM 1456 OE1 GLU A 89 -7.850 2.511 9.801 1.00 25.14 O ATOM 1457 OE2 GLU A 89 -9.618 1.316 10.261 1.00 10.11 O ATOM 0 H GLU A 89 -9.539 5.309 6.986 1.00 21.43 H new ATOM 0 HA GLU A 89 -12.171 4.307 7.611 1.00 73.41 H new ATOM 0 HB2 GLU A 89 -9.743 4.900 9.376 1.00 23.21 H new ATOM 0 HB3 GLU A 89 -11.142 3.957 9.851 1.00 23.21 H new ATOM 0 HG2 GLU A 89 -10.574 2.270 8.069 1.00 11.24 H new ATOM 0 HG3 GLU A 89 -9.140 3.198 7.676 1.00 11.24 H new ATOM 1464 N HIS A 90 -13.050 5.962 9.379 1.00 72.00 N ATOM 1465 CA HIS A 90 -13.760 6.984 10.175 1.00 53.31 C ATOM 1466 C HIS A 90 -12.833 7.594 11.254 1.00 20.10 C ATOM 1467 O HIS A 90 -11.843 6.972 11.651 1.00 63.14 O ATOM 1468 CB HIS A 90 -15.018 6.340 10.827 1.00 31.05 C ATOM 1469 CG HIS A 90 -14.715 5.189 11.754 1.00 15.11 C ATOM 1470 ND1 HIS A 90 -14.543 3.895 11.313 1.00 60.14 N ATOM 1471 CD2 HIS A 90 -14.543 5.143 13.103 1.00 71.55 C ATOM 1472 CE1 HIS A 90 -14.282 3.112 12.341 1.00 45.20 C ATOM 1473 NE2 HIS A 90 -14.276 3.842 13.432 1.00 50.04 N ATOM 0 H HIS A 90 -13.436 5.025 9.498 1.00 72.00 H new ATOM 0 HA HIS A 90 -14.069 7.796 9.517 1.00 53.31 H new ATOM 0 HB2 HIS A 90 -15.558 7.107 11.383 1.00 31.05 H new ATOM 0 HB3 HIS A 90 -15.683 5.990 10.038 1.00 31.05 H new ATOM 0 HD2 HIS A 90 -14.606 5.977 13.786 1.00 71.55 H new ATOM 0 HE1 HIS A 90 -14.103 2.048 12.294 1.00 45.20 H new ATOM 0 HE2 HIS A 90 -14.100 3.495 14.375 1.00 50.04 H new ATOM 1482 N HIS A 91 -13.169 8.809 11.716 1.00 1.33 N ATOM 1483 CA HIS A 91 -12.374 9.557 12.721 1.00 14.23 C ATOM 1484 C HIS A 91 -13.244 10.675 13.352 1.00 33.41 C ATOM 1485 O HIS A 91 -13.699 11.568 12.610 1.00 34.20 O ATOM 1486 CB HIS A 91 -11.047 10.115 12.103 1.00 31.31 C ATOM 1487 CG HIS A 91 -11.198 10.786 10.759 1.00 34.21 C ATOM 1488 ND1 HIS A 91 -11.216 10.087 9.568 1.00 50.35 N ATOM 1489 CD2 HIS A 91 -11.332 12.091 10.419 1.00 55.15 C ATOM 1490 CE1 HIS A 91 -11.353 10.928 8.566 1.00 72.50 C ATOM 1491 NE2 HIS A 91 -11.425 12.148 9.055 1.00 12.21 N ATOM 0 H HIS A 91 -14.003 9.308 11.406 1.00 1.33 H new ATOM 0 HA HIS A 91 -12.076 8.873 13.515 1.00 14.23 H new ATOM 0 HB2 HIS A 91 -10.612 10.830 12.801 1.00 31.31 H new ATOM 0 HB3 HIS A 91 -10.337 9.294 12.004 1.00 31.31 H new ATOM 0 HD1 HIS A 91 -11.135 9.074 9.479 1.00 50.35 H new ATOM 0 HD2 HIS A 91 -11.360 12.930 11.098 1.00 55.15 H new ATOM 0 HE1 HIS A 91 -11.399 10.663 7.520 1.00 72.50 H new TER 1500 HIS A 91