USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 ASN :FLIP amide:sc= 0.636 F(o=-0.38!,f=1.1) USER MOD Set 1.2: A 66 THR OG1 : rot 90:sc= 0.507 USER MOD Set 2.1: A 6 TYR OH : rot -93:sc= 1.32! USER MOD Set 2.2: A 38 TYR OH : rot -121:sc= 0.271! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -138:sc= -0.308 (180deg=-1.72) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 150:sc= 0.0928 USER MOD Single : A 14 THR OG1 : rot 97:sc= 1.41 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 148:sc= 0.726 USER MOD Single : A 22 ASN : amide:sc= -0.219 K(o=-0.22,f=-0.93) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -80:sc= -1.08 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0515 K(o=-0.051,f=-1.2) USER MOD Single : A 46 MET CE :methyl -112:sc= -4.25! (180deg=-7.76!) USER MOD Single : A 47 TYR OH : rot -97:sc= 1.29 USER MOD Single : A 50 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.065) USER MOD Single : A 51 ASN : amide:sc= -0.389 K(o=-0.39,f=-1.2) USER MOD Single : A 54 LYS NZ :NH3+ 158:sc= -0.0578 (180deg=-0.0622) USER MOD Single : A 55 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.3) USER MOD Single : A 61 ASN : amide:sc= -0.476 K(o=-0.48,f=-1.1) USER MOD Single : A 63 ASN : amide:sc= -0.74 X(o=-0.74,f=-0.53) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0311) USER MOD Single : A 73 THR OG1 : rot 81:sc= 1.17 USER MOD Single : A 76 LYS NZ :NH3+ -159:sc= -0.0457 (180deg=-0.288) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.107 12.032 7.114 1.00 4.44 N ATOM 2 CA MET A 1 -1.322 10.902 7.593 1.00 64.45 C ATOM 3 C MET A 1 -1.989 9.580 7.224 1.00 73.11 C ATOM 4 O MET A 1 -3.203 9.429 7.355 1.00 21.32 O ATOM 5 CB MET A 1 -1.136 10.987 9.109 1.00 4.20 C ATOM 6 CG MET A 1 -0.568 9.718 9.724 1.00 52.22 C ATOM 7 SD MET A 1 0.707 10.054 10.955 1.00 1.12 S ATOM 8 CE MET A 1 -0.292 10.598 12.338 1.00 1.33 C ATOM 0 H1 MET A 1 -1.471 12.752 6.714 1.00 4.44 H new ATOM 0 H2 MET A 1 -2.769 11.709 6.380 1.00 4.44 H new ATOM 0 H3 MET A 1 -2.642 12.444 7.905 1.00 4.44 H new ATOM 0 HA MET A 1 -0.345 10.942 7.112 1.00 64.45 H new ATOM 0 HB2 MET A 1 -0.473 11.821 9.339 1.00 4.20 H new ATOM 0 HB3 MET A 1 -2.097 11.207 9.573 1.00 4.20 H new ATOM 0 HG2 MET A 1 -1.375 9.151 10.188 1.00 52.22 H new ATOM 0 HG3 MET A 1 -0.150 9.092 8.935 1.00 52.22 H new ATOM 0 HE1 MET A 1 0.355 10.843 13.180 1.00 1.33 H new ATOM 0 HE2 MET A 1 -0.863 11.481 12.050 1.00 1.33 H new ATOM 0 HE3 MET A 1 -0.978 9.801 12.627 1.00 1.33 H new ATOM 16 N VAL A 2 -1.186 8.625 6.764 1.00 30.11 N ATOM 17 CA VAL A 2 -1.700 7.317 6.377 1.00 41.20 C ATOM 18 C VAL A 2 -1.063 6.208 7.208 1.00 75.23 C ATOM 19 O VAL A 2 0.159 6.149 7.353 1.00 23.32 O ATOM 20 CB VAL A 2 -1.447 7.032 4.885 1.00 34.44 C ATOM 21 CG1 VAL A 2 -2.274 7.968 4.015 1.00 42.01 C ATOM 22 CG2 VAL A 2 0.035 7.163 4.561 1.00 4.22 C ATOM 0 H VAL A 2 -0.178 8.733 6.651 1.00 30.11 H new ATOM 0 HA VAL A 2 -2.775 7.334 6.559 1.00 41.20 H new ATOM 0 HB VAL A 2 -1.754 6.008 4.672 1.00 34.44 H new ATOM 0 HG11 VAL A 2 -2.082 7.752 2.964 1.00 42.01 H new ATOM 0 HG12 VAL A 2 -3.333 7.822 4.228 1.00 42.01 H new ATOM 0 HG13 VAL A 2 -2.000 9.001 4.229 1.00 42.01 H new ATOM 0 HG21 VAL A 2 0.196 6.958 3.503 1.00 4.22 H new ATOM 0 HG22 VAL A 2 0.369 8.175 4.790 1.00 4.22 H new ATOM 0 HG23 VAL A 2 0.603 6.450 5.159 1.00 4.22 H new ATOM 32 N THR A 3 -1.898 5.331 7.754 1.00 43.25 N ATOM 33 CA THR A 3 -1.417 4.224 8.572 1.00 12.01 C ATOM 34 C THR A 3 -1.737 2.882 7.924 1.00 4.40 C ATOM 35 O THR A 3 -2.903 2.511 7.786 1.00 22.43 O ATOM 36 CB THR A 3 -2.033 4.261 9.984 1.00 71.42 C ATOM 37 OG1 THR A 3 -2.259 5.617 10.385 1.00 44.04 O ATOM 38 CG2 THR A 3 -1.121 3.574 10.989 1.00 30.03 C ATOM 0 H THR A 3 -2.912 5.365 7.645 1.00 43.25 H new ATOM 0 HA THR A 3 -0.336 4.336 8.652 1.00 12.01 H new ATOM 0 HB THR A 3 -2.984 3.729 9.956 1.00 71.42 H new ATOM 0 HG1 THR A 3 -2.652 5.632 11.283 1.00 44.04 H new ATOM 0 HG21 THR A 3 -1.576 3.612 11.979 1.00 30.03 H new ATOM 0 HG22 THR A 3 -0.975 2.534 10.697 1.00 30.03 H new ATOM 0 HG23 THR A 3 -0.157 4.083 11.013 1.00 30.03 H new ATOM 46 N VAL A 4 -0.695 2.157 7.530 1.00 3.35 N ATOM 47 CA VAL A 4 -0.866 0.854 6.899 1.00 64.14 C ATOM 48 C VAL A 4 -0.572 -0.275 7.880 1.00 31.00 C ATOM 49 O VAL A 4 0.113 -0.077 8.884 1.00 75.34 O ATOM 50 CB VAL A 4 0.049 0.701 5.670 1.00 33.20 C ATOM 51 CG1 VAL A 4 -0.393 -0.477 4.817 1.00 63.51 C ATOM 52 CG2 VAL A 4 0.061 1.986 4.853 1.00 63.12 C ATOM 0 H VAL A 4 0.276 2.450 7.637 1.00 3.35 H new ATOM 0 HA VAL A 4 -1.906 0.792 6.579 1.00 64.14 H new ATOM 0 HB VAL A 4 1.064 0.506 6.017 1.00 33.20 H new ATOM 0 HG11 VAL A 4 0.266 -0.568 3.954 1.00 63.51 H new ATOM 0 HG12 VAL A 4 -0.346 -1.392 5.408 1.00 63.51 H new ATOM 0 HG13 VAL A 4 -1.416 -0.317 4.477 1.00 63.51 H new ATOM 0 HG21 VAL A 4 0.712 1.861 3.988 1.00 63.12 H new ATOM 0 HG22 VAL A 4 -0.951 2.212 4.516 1.00 63.12 H new ATOM 0 HG23 VAL A 4 0.430 2.806 5.470 1.00 63.12 H new ATOM 62 N ARG A 5 -1.094 -1.461 7.583 1.00 14.33 N ATOM 63 CA ARG A 5 -0.889 -2.622 8.441 1.00 71.43 C ATOM 64 C ARG A 5 -0.008 -3.659 7.748 1.00 50.41 C ATOM 65 O ARG A 5 -0.183 -3.945 6.563 1.00 53.33 O ATOM 66 CB ARG A 5 -2.232 -3.248 8.818 1.00 4.24 C ATOM 67 CG ARG A 5 -3.195 -2.274 9.475 1.00 2.43 C ATOM 68 CD ARG A 5 -2.969 -2.193 10.977 1.00 71.44 C ATOM 69 NE ARG A 5 -4.092 -1.568 11.668 1.00 32.13 N ATOM 70 CZ ARG A 5 -4.034 -1.132 12.920 1.00 15.41 C ATOM 71 NH1 ARG A 5 -2.912 -1.252 13.616 1.00 50.35 N ATOM 72 NH2 ARG A 5 -5.100 -0.573 13.480 1.00 40.41 N ATOM 0 H ARG A 5 -1.662 -1.643 6.755 1.00 14.33 H new ATOM 0 HA ARG A 5 -0.385 -2.289 9.348 1.00 71.43 H new ATOM 0 HB2 ARG A 5 -2.697 -3.656 7.921 1.00 4.24 H new ATOM 0 HB3 ARG A 5 -2.056 -4.084 9.495 1.00 4.24 H new ATOM 0 HG2 ARG A 5 -3.071 -1.285 9.034 1.00 2.43 H new ATOM 0 HG3 ARG A 5 -4.221 -2.585 9.277 1.00 2.43 H new ATOM 0 HD2 ARG A 5 -2.812 -3.196 11.374 1.00 71.44 H new ATOM 0 HD3 ARG A 5 -2.060 -1.626 11.176 1.00 71.44 H new ATOM 0 HE ARG A 5 -4.970 -1.460 11.161 1.00 32.13 H new ATOM 0 HH11 ARG A 5 -2.090 -1.680 13.189 1.00 50.35 H new ATOM 0 HH12 ARG A 5 -2.870 -0.916 14.578 1.00 50.35 H new ATOM 0 HH21 ARG A 5 -5.965 -0.478 12.948 1.00 40.41 H new ATOM 0 HH22 ARG A 5 -5.054 -0.238 14.442 1.00 40.41 H new ATOM 83 N TYR A 6 0.937 -4.218 8.495 1.00 11.21 N ATOM 84 CA TYR A 6 1.846 -5.221 7.953 1.00 74.34 C ATOM 85 C TYR A 6 1.973 -6.410 8.900 1.00 3.22 C ATOM 86 O TYR A 6 1.984 -6.249 10.120 1.00 3.31 O ATOM 87 CB TYR A 6 3.225 -4.606 7.702 1.00 65.11 C ATOM 88 CG TYR A 6 3.228 -3.546 6.625 1.00 21.05 C ATOM 89 CD1 TYR A 6 2.488 -3.708 5.460 1.00 73.34 C ATOM 90 CD2 TYR A 6 3.970 -2.380 6.773 1.00 12.14 C ATOM 91 CE1 TYR A 6 2.489 -2.742 4.473 1.00 61.03 C ATOM 92 CE2 TYR A 6 3.976 -1.407 5.791 1.00 4.35 C ATOM 93 CZ TYR A 6 3.234 -1.593 4.644 1.00 22.43 C ATOM 94 OH TYR A 6 3.236 -0.628 3.662 1.00 11.53 O ATOM 0 H TYR A 6 1.094 -3.994 9.478 1.00 11.21 H new ATOM 0 HA TYR A 6 1.434 -5.575 7.008 1.00 74.34 H new ATOM 0 HB2 TYR A 6 3.593 -4.170 8.630 1.00 65.11 H new ATOM 0 HB3 TYR A 6 3.921 -5.397 7.423 1.00 65.11 H new ATOM 0 HD1 TYR A 6 1.902 -4.605 5.324 1.00 73.34 H new ATOM 0 HD2 TYR A 6 4.552 -2.232 7.671 1.00 12.14 H new ATOM 0 HE1 TYR A 6 1.910 -2.885 3.573 1.00 61.03 H new ATOM 0 HE2 TYR A 6 4.558 -0.507 5.922 1.00 4.35 H new ATOM 0 HH TYR A 6 3.987 -0.783 3.052 1.00 11.53 H new ATOM 103 N TYR A 7 2.068 -7.605 8.328 1.00 21.12 N ATOM 104 CA TYR A 7 2.191 -8.824 9.119 1.00 63.50 C ATOM 105 C TYR A 7 3.550 -9.481 8.897 1.00 43.21 C ATOM 106 O TYR A 7 4.437 -8.904 8.271 1.00 24.51 O ATOM 107 CB TYR A 7 1.073 -9.805 8.762 1.00 71.40 C ATOM 108 CG TYR A 7 0.146 -10.113 9.916 1.00 63.32 C ATOM 109 CD1 TYR A 7 -0.535 -9.099 10.576 1.00 33.22 C ATOM 110 CD2 TYR A 7 -0.048 -11.420 10.345 1.00 45.42 C ATOM 111 CE1 TYR A 7 -1.381 -9.376 11.631 1.00 4.51 C ATOM 112 CE2 TYR A 7 -0.894 -11.707 11.399 1.00 65.35 C ATOM 113 CZ TYR A 7 -1.559 -10.682 12.039 1.00 61.33 C ATOM 114 OH TYR A 7 -2.402 -10.963 13.089 1.00 1.52 O ATOM 0 H TYR A 7 2.062 -7.756 7.319 1.00 21.12 H new ATOM 0 HA TYR A 7 2.105 -8.554 10.172 1.00 63.50 H new ATOM 0 HB2 TYR A 7 0.490 -9.394 7.938 1.00 71.40 H new ATOM 0 HB3 TYR A 7 1.517 -10.735 8.405 1.00 71.40 H new ATOM 0 HD1 TYR A 7 -0.400 -8.076 10.258 1.00 33.22 H new ATOM 0 HD2 TYR A 7 0.471 -12.225 9.846 1.00 45.42 H new ATOM 0 HE1 TYR A 7 -1.901 -8.574 12.135 1.00 4.51 H new ATOM 0 HE2 TYR A 7 -1.034 -12.729 11.720 1.00 65.35 H new ATOM 0 HH TYR A 7 -2.416 -11.930 13.248 1.00 1.52 H new ATOM 123 N ALA A 8 3.704 -10.694 9.418 1.00 64.15 N ATOM 124 CA ALA A 8 4.952 -11.434 9.276 1.00 73.43 C ATOM 125 C ALA A 8 5.334 -11.590 7.807 1.00 55.14 C ATOM 126 O ALA A 8 6.506 -11.770 7.475 1.00 32.10 O ATOM 127 CB ALA A 8 4.838 -12.797 9.941 1.00 25.42 C ATOM 0 H ALA A 8 2.980 -11.185 9.942 1.00 64.15 H new ATOM 0 HA ALA A 8 5.740 -10.866 9.771 1.00 73.43 H new ATOM 0 HB1 ALA A 8 5.778 -13.337 9.826 1.00 25.42 H new ATOM 0 HB2 ALA A 8 4.621 -12.668 11.001 1.00 25.42 H new ATOM 0 HB3 ALA A 8 4.034 -13.364 9.473 1.00 25.42 H new ATOM 133 N THR A 9 4.337 -11.521 6.931 1.00 43.11 N ATOM 134 CA THR A 9 4.567 -11.657 5.498 1.00 60.04 C ATOM 135 C THR A 9 5.250 -10.418 4.932 1.00 13.04 C ATOM 136 O THR A 9 6.072 -10.511 4.019 1.00 30.10 O ATOM 137 CB THR A 9 3.250 -11.897 4.738 1.00 25.24 C ATOM 138 OG1 THR A 9 2.145 -11.400 5.502 1.00 61.41 O ATOM 139 CG2 THR A 9 3.051 -13.378 4.453 1.00 42.04 C ATOM 0 H THR A 9 3.362 -11.372 7.189 1.00 43.11 H new ATOM 0 HA THR A 9 5.218 -12.521 5.362 1.00 60.04 H new ATOM 0 HB THR A 9 3.303 -11.365 3.788 1.00 25.24 H new ATOM 0 HG1 THR A 9 1.433 -11.107 4.895 1.00 61.41 H new ATOM 0 HG21 THR A 9 2.114 -13.522 3.915 1.00 42.04 H new ATOM 0 HG22 THR A 9 3.878 -13.746 3.846 1.00 42.04 H new ATOM 0 HG23 THR A 9 3.018 -13.928 5.393 1.00 42.04 H new ATOM 147 N LEU A 10 4.905 -9.257 5.478 1.00 73.24 N ATOM 148 CA LEU A 10 5.487 -7.997 5.026 1.00 1.40 C ATOM 149 C LEU A 10 6.701 -7.624 5.871 1.00 14.24 C ATOM 150 O LEU A 10 7.426 -6.682 5.551 1.00 32.21 O ATOM 151 CB LEU A 10 4.443 -6.880 5.091 1.00 61.34 C ATOM 152 CG LEU A 10 3.281 -6.990 4.105 1.00 31.34 C ATOM 153 CD1 LEU A 10 3.796 -7.252 2.698 1.00 60.35 C ATOM 154 CD2 LEU A 10 2.317 -8.087 4.534 1.00 51.24 C ATOM 0 H LEU A 10 4.226 -9.161 6.233 1.00 73.24 H new ATOM 0 HA LEU A 10 5.812 -8.124 3.993 1.00 1.40 H new ATOM 0 HB2 LEU A 10 4.035 -6.850 6.101 1.00 61.34 H new ATOM 0 HB3 LEU A 10 4.947 -5.928 4.923 1.00 61.34 H new ATOM 0 HG LEU A 10 2.743 -6.042 4.103 1.00 31.34 H new ATOM 0 HD11 LEU A 10 2.954 -7.327 2.010 1.00 60.35 H new ATOM 0 HD12 LEU A 10 4.444 -6.432 2.389 1.00 60.35 H new ATOM 0 HD13 LEU A 10 4.360 -8.185 2.685 1.00 60.35 H new ATOM 0 HD21 LEU A 10 1.496 -8.150 3.819 1.00 51.24 H new ATOM 0 HD22 LEU A 10 2.843 -9.041 4.567 1.00 51.24 H new ATOM 0 HD23 LEU A 10 1.920 -7.857 5.523 1.00 51.24 H new ATOM 165 N ARG A 11 6.917 -8.371 6.949 1.00 33.33 N ATOM 166 CA ARG A 11 8.045 -8.118 7.839 1.00 31.12 C ATOM 167 C ARG A 11 9.353 -8.057 7.055 1.00 4.44 C ATOM 168 O ARG A 11 10.073 -7.059 7.081 1.00 70.23 O ATOM 169 CB ARG A 11 8.129 -9.207 8.909 1.00 71.04 C ATOM 170 CG ARG A 11 9.550 -9.510 9.359 1.00 21.32 C ATOM 171 CD ARG A 11 9.566 -10.341 10.632 1.00 41.03 C ATOM 172 NE ARG A 11 9.247 -9.542 11.812 1.00 32.12 N ATOM 173 CZ ARG A 11 9.549 -9.909 13.052 1.00 1.11 C ATOM 174 NH1 ARG A 11 10.173 -11.058 13.274 1.00 75.12 N ATOM 175 NH2 ARG A 11 9.225 -9.128 14.075 1.00 3.11 N ATOM 0 H ARG A 11 6.327 -9.155 7.227 1.00 33.33 H new ATOM 0 HA ARG A 11 7.887 -7.154 8.322 1.00 31.12 H new ATOM 0 HB2 ARG A 11 7.540 -8.901 9.774 1.00 71.04 H new ATOM 0 HB3 ARG A 11 7.677 -10.120 8.522 1.00 71.04 H new ATOM 0 HG2 ARG A 11 10.077 -10.044 8.568 1.00 21.32 H new ATOM 0 HG3 ARG A 11 10.087 -8.576 9.526 1.00 21.32 H new ATOM 0 HD2 ARG A 11 8.848 -11.156 10.542 1.00 41.03 H new ATOM 0 HD3 ARG A 11 10.549 -10.794 10.756 1.00 41.03 H new ATOM 0 HE ARG A 11 8.766 -8.653 11.676 1.00 32.12 H new ATOM 0 HH11 ARG A 11 10.422 -11.663 12.491 1.00 75.12 H new ATOM 0 HH12 ARG A 11 10.404 -11.337 14.228 1.00 75.12 H new ATOM 0 HH21 ARG A 11 8.743 -8.244 13.909 1.00 3.11 H new ATOM 0 HH22 ARG A 11 9.458 -9.411 15.027 1.00 3.11 H new ATOM 186 N PRO A 12 9.667 -9.148 6.342 1.00 43.31 N ATOM 187 CA PRO A 12 10.889 -9.244 5.538 1.00 34.31 C ATOM 188 C PRO A 12 10.849 -8.336 4.314 1.00 74.41 C ATOM 189 O PRO A 12 11.847 -8.186 3.607 1.00 52.43 O ATOM 190 CB PRO A 12 10.920 -10.714 5.113 1.00 75.32 C ATOM 191 CG PRO A 12 9.496 -11.149 5.148 1.00 54.22 C ATOM 192 CD PRO A 12 8.854 -10.374 6.266 1.00 55.13 C ATOM 0 HA PRO A 12 11.771 -8.930 6.097 1.00 34.31 H new ATOM 0 HB2 PRO A 12 11.344 -10.829 4.116 1.00 75.32 H new ATOM 0 HB3 PRO A 12 11.532 -11.309 5.790 1.00 75.32 H new ATOM 0 HG2 PRO A 12 9.002 -10.945 4.198 1.00 54.22 H new ATOM 0 HG3 PRO A 12 9.420 -12.222 5.323 1.00 54.22 H new ATOM 0 HD2 PRO A 12 7.809 -10.150 6.052 1.00 55.13 H new ATOM 0 HD3 PRO A 12 8.875 -10.929 7.204 1.00 55.13 H new ATOM 197 N ILE A 13 9.692 -7.731 4.068 1.00 4.13 N ATOM 198 CA ILE A 13 9.524 -6.838 2.929 1.00 12.34 C ATOM 199 C ILE A 13 9.759 -5.386 3.331 1.00 54.15 C ATOM 200 O ILE A 13 10.738 -4.764 2.916 1.00 5.22 O ATOM 201 CB ILE A 13 8.118 -6.966 2.314 1.00 40.21 C ATOM 202 CG1 ILE A 13 7.717 -8.439 2.211 1.00 22.05 C ATOM 203 CG2 ILE A 13 8.075 -6.302 0.947 1.00 33.02 C ATOM 204 CD1 ILE A 13 6.397 -8.658 1.501 1.00 54.25 C ATOM 0 H ILE A 13 8.857 -7.843 4.643 1.00 4.13 H new ATOM 0 HA ILE A 13 10.265 -7.133 2.186 1.00 12.34 H new ATOM 0 HB ILE A 13 7.405 -6.459 2.964 1.00 40.21 H new ATOM 0 HG12 ILE A 13 8.499 -8.984 1.683 1.00 22.05 H new ATOM 0 HG13 ILE A 13 7.655 -8.862 3.214 1.00 22.05 H new ATOM 0 HG21 ILE A 13 7.075 -6.401 0.526 1.00 33.02 H new ATOM 0 HG22 ILE A 13 8.323 -5.245 1.048 1.00 33.02 H new ATOM 0 HG23 ILE A 13 8.796 -6.783 0.286 1.00 33.02 H new ATOM 0 HD11 ILE A 13 6.176 -9.725 1.465 1.00 54.25 H new ATOM 0 HD12 ILE A 13 5.603 -8.141 2.041 1.00 54.25 H new ATOM 0 HD13 ILE A 13 6.460 -8.266 0.486 1.00 54.25 H new ATOM 215 N THR A 14 8.855 -4.849 4.146 1.00 73.34 N ATOM 216 CA THR A 14 8.965 -3.470 4.606 1.00 13.15 C ATOM 217 C THR A 14 10.196 -3.279 5.484 1.00 55.10 C ATOM 218 O THR A 14 10.620 -2.151 5.741 1.00 23.34 O ATOM 219 CB THR A 14 7.714 -3.040 5.395 1.00 5.12 C ATOM 220 OG1 THR A 14 7.870 -1.699 5.870 1.00 61.42 O ATOM 221 CG2 THR A 14 7.469 -3.974 6.571 1.00 50.01 C ATOM 0 H THR A 14 8.039 -5.348 4.501 1.00 73.34 H new ATOM 0 HA THR A 14 9.057 -2.847 3.716 1.00 13.15 H new ATOM 0 HB THR A 14 6.855 -3.090 4.726 1.00 5.12 H new ATOM 0 HG1 THR A 14 7.421 -1.080 5.257 1.00 61.42 H new ATOM 0 HG21 THR A 14 6.581 -3.651 7.113 1.00 50.01 H new ATOM 0 HG22 THR A 14 7.321 -4.990 6.204 1.00 50.01 H new ATOM 0 HG23 THR A 14 8.330 -3.952 7.239 1.00 50.01 H new ATOM 229 N LYS A 15 10.767 -4.387 5.942 1.00 50.42 N ATOM 230 CA LYS A 15 11.952 -4.343 6.790 1.00 54.43 C ATOM 231 C LYS A 15 11.675 -3.564 8.073 1.00 31.34 C ATOM 232 O LYS A 15 12.588 -3.012 8.686 1.00 74.11 O ATOM 233 CB LYS A 15 13.121 -3.705 6.037 1.00 34.11 C ATOM 234 CG LYS A 15 13.517 -4.458 4.779 1.00 61.50 C ATOM 235 CD LYS A 15 14.286 -3.569 3.815 1.00 11.14 C ATOM 236 CE LYS A 15 15.766 -3.521 4.161 1.00 15.51 C ATOM 237 NZ LYS A 15 16.591 -3.067 3.008 1.00 70.10 N ATOM 0 H LYS A 15 10.428 -5.328 5.740 1.00 50.42 H new ATOM 0 HA LYS A 15 12.215 -5.367 7.056 1.00 54.43 H new ATOM 0 HB2 LYS A 15 12.855 -2.682 5.770 1.00 34.11 H new ATOM 0 HB3 LYS A 15 13.983 -3.647 6.702 1.00 34.11 H new ATOM 0 HG2 LYS A 15 14.128 -5.320 5.047 1.00 61.50 H new ATOM 0 HG3 LYS A 15 12.623 -4.842 4.287 1.00 61.50 H new ATOM 0 HD2 LYS A 15 14.161 -3.940 2.798 1.00 11.14 H new ATOM 0 HD3 LYS A 15 13.873 -2.561 3.840 1.00 11.14 H new ATOM 0 HE2 LYS A 15 15.920 -2.848 5.005 1.00 15.51 H new ATOM 0 HE3 LYS A 15 16.097 -4.510 4.477 1.00 15.51 H new ATOM 0 HZ1 LYS A 15 17.593 -3.048 3.285 1.00 70.10 H new ATOM 0 HZ2 LYS A 15 16.464 -3.723 2.211 1.00 70.10 H new ATOM 0 HZ3 LYS A 15 16.293 -2.113 2.722 1.00 70.10 H new ATOM 247 N LYS A 16 10.409 -3.525 8.473 1.00 13.03 N ATOM 248 CA LYS A 16 10.010 -2.816 9.684 1.00 65.15 C ATOM 249 C LYS A 16 8.671 -3.333 10.200 1.00 53.43 C ATOM 250 O LYS A 16 7.992 -4.108 9.528 1.00 3.21 O ATOM 251 CB LYS A 16 9.920 -1.313 9.413 1.00 51.50 C ATOM 252 CG LYS A 16 10.486 -0.457 10.534 1.00 4.31 C ATOM 253 CD LYS A 16 11.998 -0.583 10.622 1.00 30.23 C ATOM 254 CE LYS A 16 12.681 0.079 9.435 1.00 24.43 C ATOM 255 NZ LYS A 16 14.041 0.575 9.784 1.00 0.15 N ATOM 0 H LYS A 16 9.641 -3.976 7.976 1.00 13.03 H new ATOM 0 HA LYS A 16 10.767 -2.996 10.447 1.00 65.15 H new ATOM 0 HB2 LYS A 16 10.453 -1.086 8.490 1.00 51.50 H new ATOM 0 HB3 LYS A 16 8.876 -1.043 9.253 1.00 51.50 H new ATOM 0 HG2 LYS A 16 10.216 0.586 10.369 1.00 4.31 H new ATOM 0 HG3 LYS A 16 10.039 -0.756 11.482 1.00 4.31 H new ATOM 0 HD2 LYS A 16 12.349 -0.126 11.547 1.00 30.23 H new ATOM 0 HD3 LYS A 16 12.275 -1.636 10.662 1.00 30.23 H new ATOM 0 HE2 LYS A 16 12.754 -0.634 8.614 1.00 24.43 H new ATOM 0 HE3 LYS A 16 12.071 0.910 9.082 1.00 24.43 H new ATOM 0 HZ1 LYS A 16 14.473 1.019 8.949 1.00 0.15 H new ATOM 0 HZ2 LYS A 16 13.969 1.274 10.550 1.00 0.15 H new ATOM 0 HZ3 LYS A 16 14.632 -0.222 10.097 1.00 0.15 H new ATOM 265 N LYS A 17 8.296 -2.896 11.398 1.00 52.03 N ATOM 266 CA LYS A 17 7.037 -3.311 12.005 1.00 22.34 C ATOM 267 C LYS A 17 5.864 -2.548 11.398 1.00 2.32 C ATOM 268 O LYS A 17 5.135 -3.079 10.560 1.00 71.32 O ATOM 269 CB LYS A 17 7.078 -3.086 13.518 1.00 1.54 C ATOM 270 CG LYS A 17 7.885 -4.132 14.267 1.00 15.10 C ATOM 271 CD LYS A 17 8.479 -3.567 15.546 1.00 73.00 C ATOM 272 CE LYS A 17 7.405 -3.296 16.589 1.00 64.51 C ATOM 273 NZ LYS A 17 7.988 -3.077 17.941 1.00 1.54 N ATOM 0 H LYS A 17 8.847 -2.254 11.968 1.00 52.03 H new ATOM 0 HA LYS A 17 6.899 -4.374 11.806 1.00 22.34 H new ATOM 0 HB2 LYS A 17 7.500 -2.101 13.719 1.00 1.54 H new ATOM 0 HB3 LYS A 17 6.059 -3.081 13.904 1.00 1.54 H new ATOM 0 HG2 LYS A 17 7.247 -4.983 14.506 1.00 15.10 H new ATOM 0 HG3 LYS A 17 8.685 -4.503 13.626 1.00 15.10 H new ATOM 0 HD2 LYS A 17 9.210 -4.268 15.949 1.00 73.00 H new ATOM 0 HD3 LYS A 17 9.012 -2.643 15.323 1.00 73.00 H new ATOM 0 HE2 LYS A 17 6.827 -2.419 16.296 1.00 64.51 H new ATOM 0 HE3 LYS A 17 6.712 -4.137 16.624 1.00 64.51 H new ATOM 0 HZ1 LYS A 17 7.224 -2.896 18.623 1.00 1.54 H new ATOM 0 HZ2 LYS A 17 8.518 -3.923 18.232 1.00 1.54 H new ATOM 0 HZ3 LYS A 17 8.630 -2.259 17.914 1.00 1.54 H new ATOM 283 N GLU A 18 5.688 -1.302 11.825 1.00 42.44 N ATOM 284 CA GLU A 18 4.603 -0.468 11.323 1.00 53.43 C ATOM 285 C GLU A 18 4.950 1.012 11.454 1.00 50.50 C ATOM 286 O GLU A 18 5.586 1.427 12.422 1.00 73.24 O ATOM 287 CB GLU A 18 3.307 -0.769 12.078 1.00 11.40 C ATOM 288 CG GLU A 18 2.057 -0.611 11.229 1.00 32.12 C ATOM 289 CD GLU A 18 1.808 -1.806 10.329 1.00 41.44 C ATOM 290 OE1 GLU A 18 1.296 -2.828 10.831 1.00 5.44 O ATOM 291 OE2 GLU A 18 2.127 -1.720 9.125 1.00 32.12 O ATOM 0 H GLU A 18 6.283 -0.848 12.518 1.00 42.44 H new ATOM 0 HA GLU A 18 4.461 -0.698 10.267 1.00 53.43 H new ATOM 0 HB2 GLU A 18 3.349 -1.788 12.462 1.00 11.40 H new ATOM 0 HB3 GLU A 18 3.236 -0.106 12.940 1.00 11.40 H new ATOM 0 HG2 GLU A 18 1.196 -0.466 11.881 1.00 32.12 H new ATOM 0 HG3 GLU A 18 2.149 0.287 10.618 1.00 32.12 H new ATOM 296 N GLU A 19 4.525 1.803 10.474 1.00 60.40 N ATOM 297 CA GLU A 19 4.792 3.237 10.478 1.00 42.24 C ATOM 298 C GLU A 19 3.768 3.983 9.629 1.00 51.31 C ATOM 299 O GLU A 19 3.073 3.387 8.805 1.00 53.53 O ATOM 300 CB GLU A 19 6.204 3.518 9.959 1.00 4.42 C ATOM 301 CG GLU A 19 6.809 4.800 10.505 1.00 4.10 C ATOM 302 CD GLU A 19 6.887 4.810 12.019 1.00 44.11 C ATOM 303 OE1 GLU A 19 7.453 3.855 12.590 1.00 50.44 O ATOM 304 OE2 GLU A 19 6.381 5.774 12.632 1.00 70.55 O ATOM 0 H GLU A 19 3.994 1.475 9.667 1.00 60.40 H new ATOM 0 HA GLU A 19 4.714 3.592 11.506 1.00 42.24 H new ATOM 0 HB2 GLU A 19 6.851 2.681 10.220 1.00 4.42 H new ATOM 0 HB3 GLU A 19 6.178 3.573 8.871 1.00 4.42 H new ATOM 0 HG2 GLU A 19 7.810 4.929 10.093 1.00 4.10 H new ATOM 0 HG3 GLU A 19 6.214 5.650 10.170 1.00 4.10 H new ATOM 309 N THR A 20 3.679 5.294 9.836 1.00 2.43 N ATOM 310 CA THR A 20 2.739 6.123 9.092 1.00 21.12 C ATOM 311 C THR A 20 3.467 7.028 8.105 1.00 22.01 C ATOM 312 O THR A 20 4.670 7.257 8.228 1.00 30.40 O ATOM 313 CB THR A 20 1.888 6.992 10.037 1.00 35.24 C ATOM 314 OG1 THR A 20 2.709 7.537 11.075 1.00 45.21 O ATOM 315 CG2 THR A 20 0.758 6.179 10.649 1.00 22.21 C ATOM 0 H THR A 20 4.247 5.804 10.513 1.00 2.43 H new ATOM 0 HA THR A 20 2.084 5.446 8.544 1.00 21.12 H new ATOM 0 HB THR A 20 1.454 7.805 9.455 1.00 35.24 H new ATOM 0 HG1 THR A 20 2.367 8.418 11.334 1.00 45.21 H new ATOM 0 HG21 THR A 20 0.171 6.814 11.313 1.00 22.21 H new ATOM 0 HG22 THR A 20 0.117 5.792 9.856 1.00 22.21 H new ATOM 0 HG23 THR A 20 1.175 5.347 11.217 1.00 22.21 H new ATOM 323 N PHE A 21 2.730 7.541 7.126 1.00 20.53 N ATOM 324 CA PHE A 21 3.305 8.421 6.116 1.00 74.31 C ATOM 325 C PHE A 21 2.477 9.693 5.967 1.00 31.22 C ATOM 326 O PHE A 21 1.250 9.662 6.057 1.00 44.31 O ATOM 327 CB PHE A 21 3.397 7.698 4.770 1.00 74.41 C ATOM 328 CG PHE A 21 4.734 7.059 4.523 1.00 1.21 C ATOM 329 CD1 PHE A 21 5.777 7.792 3.979 1.00 10.15 C ATOM 330 CD2 PHE A 21 4.947 5.726 4.834 1.00 51.02 C ATOM 331 CE1 PHE A 21 7.008 7.205 3.750 1.00 35.14 C ATOM 332 CE2 PHE A 21 6.176 5.134 4.607 1.00 15.31 C ATOM 333 CZ PHE A 21 7.208 5.876 4.066 1.00 21.33 C ATOM 0 H PHE A 21 1.732 7.362 7.011 1.00 20.53 H new ATOM 0 HA PHE A 21 4.308 8.698 6.441 1.00 74.31 H new ATOM 0 HB2 PHE A 21 2.623 6.932 4.725 1.00 74.41 H new ATOM 0 HB3 PHE A 21 3.189 8.409 3.970 1.00 74.41 H new ATOM 0 HD1 PHE A 21 5.627 8.832 3.731 1.00 10.15 H new ATOM 0 HD2 PHE A 21 4.144 5.142 5.259 1.00 51.02 H new ATOM 0 HE1 PHE A 21 7.813 7.786 3.324 1.00 35.14 H new ATOM 0 HE2 PHE A 21 6.329 4.093 4.852 1.00 15.31 H new ATOM 0 HZ PHE A 21 8.170 5.417 3.891 1.00 21.33 H new ATOM 342 N ASN A 22 3.157 10.813 5.737 1.00 2.21 N ATOM 343 CA ASN A 22 2.484 12.096 5.576 1.00 14.53 C ATOM 344 C ASN A 22 2.861 12.746 4.249 1.00 24.24 C ATOM 345 O ASN A 22 3.960 12.542 3.736 1.00 74.41 O ATOM 346 CB ASN A 22 2.841 13.031 6.733 1.00 50.31 C ATOM 347 CG ASN A 22 4.296 13.460 6.703 1.00 45.22 C ATOM 348 OD1 ASN A 22 4.690 14.300 5.894 1.00 13.25 O ATOM 349 ND2 ASN A 22 5.102 12.881 7.586 1.00 31.01 N ATOM 0 H ASN A 22 4.173 10.857 5.658 1.00 2.21 H new ATOM 0 HA ASN A 22 1.409 11.917 5.580 1.00 14.53 H new ATOM 0 HB2 ASN A 22 2.204 13.914 6.692 1.00 50.31 H new ATOM 0 HB3 ASN A 22 2.632 12.531 7.679 1.00 50.31 H new ATOM 0 HD21 ASN A 22 6.091 13.128 7.612 1.00 31.01 H new ATOM 0 HD22 ASN A 22 4.732 12.190 8.238 1.00 31.01 H new ATOM 355 N GLY A 23 1.939 13.530 3.697 1.00 64.42 N ATOM 356 CA GLY A 23 2.194 14.197 2.433 1.00 72.10 C ATOM 357 C GLY A 23 0.948 14.311 1.577 1.00 73.41 C ATOM 358 O GLY A 23 0.346 15.381 1.485 1.00 45.42 O ATOM 0 H GLY A 23 1.021 13.715 4.102 1.00 64.42 H new ATOM 0 HA2 GLY A 23 2.592 15.193 2.625 1.00 72.10 H new ATOM 0 HA3 GLY A 23 2.960 13.649 1.884 1.00 72.10 H new ATOM 362 N ILE A 24 0.564 13.207 0.945 1.00 44.42 N ATOM 363 CA ILE A 24 -0.618 13.188 0.092 1.00 62.23 C ATOM 364 C ILE A 24 -1.702 12.286 0.673 1.00 34.32 C ATOM 365 O ILE A 24 -1.410 11.242 1.255 1.00 74.45 O ATOM 366 CB ILE A 24 -0.275 12.709 -1.331 1.00 65.32 C ATOM 367 CG1 ILE A 24 0.766 13.631 -1.967 1.00 62.33 C ATOM 368 CG2 ILE A 24 -1.532 12.650 -2.187 1.00 40.10 C ATOM 369 CD1 ILE A 24 0.337 15.081 -2.021 1.00 51.31 C ATOM 0 H ILE A 24 1.054 12.315 1.007 1.00 44.42 H new ATOM 0 HA ILE A 24 -0.990 14.212 0.044 1.00 62.23 H new ATOM 0 HB ILE A 24 0.147 11.706 -1.269 1.00 65.32 H new ATOM 0 HG12 ILE A 24 1.697 13.557 -1.405 1.00 62.33 H new ATOM 0 HG13 ILE A 24 0.976 13.285 -2.979 1.00 62.33 H new ATOM 0 HG21 ILE A 24 -1.274 12.310 -3.190 1.00 40.10 H new ATOM 0 HG22 ILE A 24 -2.244 11.956 -1.741 1.00 40.10 H new ATOM 0 HG23 ILE A 24 -1.980 13.642 -2.245 1.00 40.10 H new ATOM 0 HD11 ILE A 24 1.124 15.676 -2.484 1.00 51.31 H new ATOM 0 HD12 ILE A 24 -0.577 15.168 -2.608 1.00 51.31 H new ATOM 0 HD13 ILE A 24 0.155 15.444 -1.010 1.00 51.31 H new ATOM 380 N SER A 25 -2.955 12.697 0.508 1.00 1.43 N ATOM 381 CA SER A 25 -4.084 11.928 1.018 1.00 10.33 C ATOM 382 C SER A 25 -4.751 11.134 -0.102 1.00 41.52 C ATOM 383 O SER A 25 -5.955 11.254 -0.332 1.00 44.03 O ATOM 384 CB SER A 25 -5.105 12.857 1.678 1.00 3.03 C ATOM 385 OG SER A 25 -4.764 13.111 3.030 1.00 4.23 O ATOM 0 H SER A 25 -3.214 13.558 0.026 1.00 1.43 H new ATOM 0 HA SER A 25 -3.707 11.227 1.763 1.00 10.33 H new ATOM 0 HB2 SER A 25 -5.154 13.797 1.129 1.00 3.03 H new ATOM 0 HB3 SER A 25 -6.096 12.407 1.628 1.00 3.03 H new ATOM 0 HG SER A 25 -5.431 13.708 3.429 1.00 4.23 H new ATOM 390 N LYS A 26 -3.959 10.323 -0.796 1.00 11.35 N ATOM 391 CA LYS A 26 -4.470 9.508 -1.891 1.00 22.54 C ATOM 392 C LYS A 26 -3.672 8.215 -2.025 1.00 32.30 C ATOM 393 O LYS A 26 -2.527 8.133 -1.580 1.00 52.54 O ATOM 394 CB LYS A 26 -4.418 10.292 -3.205 1.00 63.44 C ATOM 395 CG LYS A 26 -5.523 9.921 -4.178 1.00 24.21 C ATOM 396 CD LYS A 26 -5.867 11.079 -5.099 1.00 74.21 C ATOM 397 CE LYS A 26 -6.844 12.042 -4.443 1.00 25.45 C ATOM 398 NZ LYS A 26 -7.387 13.031 -5.416 1.00 31.31 N ATOM 0 H LYS A 26 -2.961 10.213 -0.619 1.00 11.35 H new ATOM 0 HA LYS A 26 -5.506 9.253 -1.669 1.00 22.54 H new ATOM 0 HB2 LYS A 26 -4.481 11.358 -2.985 1.00 63.44 H new ATOM 0 HB3 LYS A 26 -3.453 10.122 -3.682 1.00 63.44 H new ATOM 0 HG2 LYS A 26 -5.212 9.062 -4.773 1.00 24.21 H new ATOM 0 HG3 LYS A 26 -6.412 9.620 -3.623 1.00 24.21 H new ATOM 0 HD2 LYS A 26 -4.956 11.612 -5.371 1.00 74.21 H new ATOM 0 HD3 LYS A 26 -6.299 10.694 -6.023 1.00 74.21 H new ATOM 0 HE2 LYS A 26 -7.666 11.480 -4.000 1.00 25.45 H new ATOM 0 HE3 LYS A 26 -6.344 12.569 -3.630 1.00 25.45 H new ATOM 0 HZ1 LYS A 26 -8.049 13.669 -4.930 1.00 31.31 H new ATOM 0 HZ2 LYS A 26 -6.605 13.585 -5.820 1.00 31.31 H new ATOM 0 HZ3 LYS A 26 -7.886 12.530 -6.178 1.00 31.31 H new ATOM 408 N ILE A 27 -4.281 7.210 -2.644 1.00 3.31 N ATOM 409 CA ILE A 27 -3.625 5.922 -2.839 1.00 34.23 C ATOM 410 C ILE A 27 -2.584 6.000 -3.950 1.00 62.32 C ATOM 411 O ILE A 27 -1.647 5.202 -3.993 1.00 14.04 O ATOM 412 CB ILE A 27 -4.642 4.818 -3.179 1.00 14.54 C ATOM 413 CG1 ILE A 27 -5.636 4.636 -2.029 1.00 72.23 C ATOM 414 CG2 ILE A 27 -3.925 3.510 -3.478 1.00 73.43 C ATOM 415 CD1 ILE A 27 -5.004 4.092 -0.767 1.00 42.23 C ATOM 0 H ILE A 27 -5.228 7.262 -3.019 1.00 3.31 H new ATOM 0 HA ILE A 27 -3.132 5.672 -1.899 1.00 34.23 H new ATOM 0 HB ILE A 27 -5.196 5.118 -4.069 1.00 14.54 H new ATOM 0 HG12 ILE A 27 -6.103 5.596 -1.808 1.00 72.23 H new ATOM 0 HG13 ILE A 27 -6.430 3.961 -2.349 1.00 72.23 H new ATOM 0 HG21 ILE A 27 -4.658 2.739 -3.717 1.00 73.43 H new ATOM 0 HG22 ILE A 27 -3.255 3.648 -4.326 1.00 73.43 H new ATOM 0 HG23 ILE A 27 -3.348 3.204 -2.606 1.00 73.43 H new ATOM 0 HD11 ILE A 27 -5.766 3.988 0.006 1.00 42.23 H new ATOM 0 HD12 ILE A 27 -4.561 3.118 -0.973 1.00 42.23 H new ATOM 0 HD13 ILE A 27 -4.229 4.777 -0.423 1.00 42.23 H new ATOM 426 N SER A 28 -2.754 6.966 -4.848 1.00 43.33 N ATOM 427 CA SER A 28 -1.830 7.146 -5.961 1.00 4.41 C ATOM 428 C SER A 28 -0.419 7.427 -5.456 1.00 64.24 C ATOM 429 O SER A 28 0.532 6.737 -5.823 1.00 31.33 O ATOM 430 CB SER A 28 -2.300 8.291 -6.861 1.00 45.33 C ATOM 431 OG SER A 28 -1.199 8.960 -7.452 1.00 45.13 O ATOM 0 H SER A 28 -3.523 7.636 -4.826 1.00 43.33 H new ATOM 0 HA SER A 28 -1.812 6.222 -6.539 1.00 4.41 H new ATOM 0 HB2 SER A 28 -2.953 7.900 -7.641 1.00 45.33 H new ATOM 0 HB3 SER A 28 -2.889 8.999 -6.277 1.00 45.33 H new ATOM 0 HG SER A 28 -1.526 9.686 -8.023 1.00 45.13 H new ATOM 436 N GLU A 29 -0.291 8.445 -4.610 1.00 23.32 N ATOM 437 CA GLU A 29 1.005 8.817 -4.055 1.00 53.21 C ATOM 438 C GLU A 29 1.437 7.830 -2.975 1.00 75.25 C ATOM 439 O GLU A 29 2.629 7.580 -2.789 1.00 70.12 O ATOM 440 CB GLU A 29 0.948 10.233 -3.475 1.00 63.21 C ATOM 441 CG GLU A 29 2.286 10.731 -2.954 1.00 3.43 C ATOM 442 CD GLU A 29 3.456 10.229 -3.776 1.00 33.03 C ATOM 443 OE1 GLU A 29 3.407 10.358 -5.018 1.00 3.31 O ATOM 444 OE2 GLU A 29 4.421 9.709 -3.178 1.00 21.33 O ATOM 0 H GLU A 29 -1.068 9.026 -4.295 1.00 23.32 H new ATOM 0 HA GLU A 29 1.739 8.791 -4.861 1.00 53.21 H new ATOM 0 HB2 GLU A 29 0.589 10.917 -4.244 1.00 63.21 H new ATOM 0 HB3 GLU A 29 0.220 10.255 -2.664 1.00 63.21 H new ATOM 0 HG2 GLU A 29 2.288 11.821 -2.954 1.00 3.43 H new ATOM 0 HG3 GLU A 29 2.410 10.412 -1.919 1.00 3.43 H new ATOM 449 N LEU A 30 0.463 7.274 -2.265 1.00 55.24 N ATOM 450 CA LEU A 30 0.742 6.314 -1.202 1.00 35.01 C ATOM 451 C LEU A 30 1.462 5.087 -1.752 1.00 54.52 C ATOM 452 O LEU A 30 2.500 4.678 -1.230 1.00 33.22 O ATOM 453 CB LEU A 30 -0.558 5.892 -0.515 1.00 33.14 C ATOM 454 CG LEU A 30 -0.432 4.794 0.542 1.00 31.12 C ATOM 455 CD1 LEU A 30 -0.352 5.399 1.935 1.00 73.31 C ATOM 456 CD2 LEU A 30 -1.603 3.826 0.446 1.00 20.22 C ATOM 0 H LEU A 30 -0.528 7.471 -2.406 1.00 55.24 H new ATOM 0 HA LEU A 30 1.392 6.796 -0.471 1.00 35.01 H new ATOM 0 HB2 LEU A 30 -1.000 6.771 -0.046 1.00 33.14 H new ATOM 0 HB3 LEU A 30 -1.257 5.554 -1.280 1.00 33.14 H new ATOM 0 HG LEU A 30 0.489 4.241 0.356 1.00 31.12 H new ATOM 0 HD11 LEU A 30 -0.263 4.602 2.673 1.00 73.31 H new ATOM 0 HD12 LEU A 30 0.519 6.052 1.999 1.00 73.31 H new ATOM 0 HD13 LEU A 30 -1.254 5.977 2.133 1.00 73.31 H new ATOM 0 HD21 LEU A 30 -1.498 3.051 1.205 1.00 20.22 H new ATOM 0 HD22 LEU A 30 -2.536 4.366 0.606 1.00 20.22 H new ATOM 0 HD23 LEU A 30 -1.615 3.366 -0.542 1.00 20.22 H new ATOM 467 N LEU A 31 0.906 4.506 -2.808 1.00 31.41 N ATOM 468 CA LEU A 31 1.496 3.326 -3.431 1.00 14.11 C ATOM 469 C LEU A 31 2.767 3.690 -4.192 1.00 22.44 C ATOM 470 O LEU A 31 3.698 2.892 -4.283 1.00 44.02 O ATOM 471 CB LEU A 31 0.491 2.668 -4.378 1.00 34.22 C ATOM 472 CG LEU A 31 -0.516 1.717 -3.732 1.00 43.04 C ATOM 473 CD1 LEU A 31 -1.489 1.181 -4.772 1.00 75.54 C ATOM 474 CD2 LEU A 31 0.204 0.572 -3.033 1.00 2.42 C ATOM 0 H LEU A 31 0.047 4.832 -3.251 1.00 31.41 H new ATOM 0 HA LEU A 31 1.757 2.621 -2.642 1.00 14.11 H new ATOM 0 HB2 LEU A 31 -0.061 3.454 -4.893 1.00 34.22 H new ATOM 0 HB3 LEU A 31 1.045 2.117 -5.138 1.00 34.22 H new ATOM 0 HG LEU A 31 -1.084 2.273 -2.986 1.00 43.04 H new ATOM 0 HD11 LEU A 31 -2.198 0.506 -4.293 1.00 75.54 H new ATOM 0 HD12 LEU A 31 -2.029 2.011 -5.227 1.00 75.54 H new ATOM 0 HD13 LEU A 31 -0.938 0.641 -5.542 1.00 75.54 H new ATOM 0 HD21 LEU A 31 -0.529 -0.095 -2.579 1.00 2.42 H new ATOM 0 HD22 LEU A 31 0.798 0.018 -3.760 1.00 2.42 H new ATOM 0 HD23 LEU A 31 0.859 0.972 -2.259 1.00 2.42 H new ATOM 485 N GLU A 32 2.797 4.903 -4.737 1.00 3.11 N ATOM 486 CA GLU A 32 3.954 5.373 -5.490 1.00 50.33 C ATOM 487 C GLU A 32 5.199 5.412 -4.607 1.00 25.13 C ATOM 488 O GLU A 32 6.247 4.879 -4.971 1.00 54.53 O ATOM 489 CB GLU A 32 3.683 6.764 -6.069 1.00 43.11 C ATOM 490 CG GLU A 32 4.777 7.259 -6.999 1.00 63.30 C ATOM 491 CD GLU A 32 4.751 6.568 -8.350 1.00 51.30 C ATOM 492 OE1 GLU A 32 3.656 6.151 -8.781 1.00 64.53 O ATOM 493 OE2 GLU A 32 5.825 6.447 -8.974 1.00 61.24 O ATOM 0 H GLU A 32 2.034 5.577 -4.671 1.00 3.11 H new ATOM 0 HA GLU A 32 4.131 4.675 -6.308 1.00 50.33 H new ATOM 0 HB2 GLU A 32 2.738 6.745 -6.611 1.00 43.11 H new ATOM 0 HB3 GLU A 32 3.566 7.473 -5.249 1.00 43.11 H new ATOM 0 HG2 GLU A 32 4.668 8.334 -7.143 1.00 63.30 H new ATOM 0 HG3 GLU A 32 5.748 7.097 -6.531 1.00 63.30 H new ATOM 498 N ARG A 33 5.073 6.045 -3.445 1.00 23.40 N ATOM 499 CA ARG A 33 6.187 6.154 -2.511 1.00 73.42 C ATOM 500 C ARG A 33 6.444 4.823 -1.813 1.00 42.11 C ATOM 501 O ARG A 33 7.592 4.405 -1.650 1.00 12.23 O ATOM 502 CB ARG A 33 5.904 7.242 -1.473 1.00 41.03 C ATOM 503 CG ARG A 33 4.628 7.009 -0.681 1.00 12.22 C ATOM 504 CD ARG A 33 3.972 8.324 -0.285 1.00 43.41 C ATOM 505 NE ARG A 33 4.874 9.174 0.488 1.00 31.34 N ATOM 506 CZ ARG A 33 4.550 10.389 0.917 1.00 1.21 C ATOM 507 NH1 ARG A 33 3.352 10.892 0.652 1.00 61.44 N ATOM 508 NH2 ARG A 33 5.424 11.102 1.615 1.00 75.31 N ATOM 0 H ARG A 33 4.211 6.490 -3.128 1.00 23.40 H new ATOM 0 HA ARG A 33 7.079 6.424 -3.077 1.00 73.42 H new ATOM 0 HB2 ARG A 33 6.745 7.301 -0.782 1.00 41.03 H new ATOM 0 HB3 ARG A 33 5.838 8.206 -1.978 1.00 41.03 H new ATOM 0 HG2 ARG A 33 3.932 6.418 -1.276 1.00 12.22 H new ATOM 0 HG3 ARG A 33 4.854 6.430 0.214 1.00 12.22 H new ATOM 0 HD2 ARG A 33 3.653 8.855 -1.182 1.00 43.41 H new ATOM 0 HD3 ARG A 33 3.075 8.120 0.300 1.00 43.41 H new ATOM 0 HE ARG A 33 5.803 8.815 0.710 1.00 31.34 H new ATOM 0 HH11 ARG A 33 2.676 10.346 0.118 1.00 61.44 H new ATOM 0 HH12 ARG A 33 3.106 11.825 0.983 1.00 61.44 H new ATOM 0 HH21 ARG A 33 6.346 10.718 1.823 1.00 75.31 H new ATOM 0 HH22 ARG A 33 5.174 12.035 1.944 1.00 75.31 H new ATOM 519 N LEU A 34 5.369 4.159 -1.401 1.00 14.02 N ATOM 520 CA LEU A 34 5.477 2.875 -0.718 1.00 61.33 C ATOM 521 C LEU A 34 6.122 1.831 -1.624 1.00 43.02 C ATOM 522 O LEU A 34 6.817 0.929 -1.153 1.00 34.33 O ATOM 523 CB LEU A 34 4.095 2.395 -0.271 1.00 54.52 C ATOM 524 CG LEU A 34 3.528 3.059 0.984 1.00 34.00 C ATOM 525 CD1 LEU A 34 2.154 2.496 1.312 1.00 21.53 C ATOM 526 CD2 LEU A 34 4.477 2.876 2.160 1.00 4.22 C ATOM 0 H LEU A 34 4.412 4.489 -1.528 1.00 14.02 H new ATOM 0 HA LEU A 34 6.109 3.009 0.160 1.00 61.33 H new ATOM 0 HB2 LEU A 34 3.394 2.555 -1.091 1.00 54.52 H new ATOM 0 HB3 LEU A 34 4.144 1.320 -0.098 1.00 54.52 H new ATOM 0 HG LEU A 34 3.423 4.127 0.791 1.00 34.00 H new ATOM 0 HD11 LEU A 34 1.767 2.981 2.208 1.00 21.53 H new ATOM 0 HD12 LEU A 34 1.477 2.680 0.478 1.00 21.53 H new ATOM 0 HD13 LEU A 34 2.232 1.423 1.485 1.00 21.53 H new ATOM 0 HD21 LEU A 34 4.057 3.355 3.044 1.00 4.22 H new ATOM 0 HD22 LEU A 34 4.615 1.812 2.354 1.00 4.22 H new ATOM 0 HD23 LEU A 34 5.440 3.329 1.925 1.00 4.22 H new ATOM 537 N LYS A 35 5.889 1.958 -2.926 1.00 13.14 N ATOM 538 CA LYS A 35 6.449 1.028 -3.899 1.00 73.21 C ATOM 539 C LYS A 35 7.974 1.060 -3.866 1.00 3.30 C ATOM 540 O LYS A 35 8.625 0.017 -3.785 1.00 12.44 O ATOM 541 CB LYS A 35 5.952 1.369 -5.306 1.00 11.33 C ATOM 542 CG LYS A 35 6.776 0.735 -6.412 1.00 74.13 C ATOM 543 CD LYS A 35 5.930 0.441 -7.639 1.00 24.40 C ATOM 544 CE LYS A 35 6.517 -0.697 -8.461 1.00 70.22 C ATOM 545 NZ LYS A 35 7.571 -0.218 -9.398 1.00 54.54 N ATOM 0 H LYS A 35 5.315 2.697 -3.332 1.00 13.14 H new ATOM 0 HA LYS A 35 6.118 0.023 -3.637 1.00 73.21 H new ATOM 0 HB2 LYS A 35 4.916 1.045 -5.405 1.00 11.33 H new ATOM 0 HB3 LYS A 35 5.961 2.452 -5.433 1.00 11.33 H new ATOM 0 HG2 LYS A 35 7.595 1.401 -6.684 1.00 74.13 H new ATOM 0 HG3 LYS A 35 7.225 -0.189 -6.048 1.00 74.13 H new ATOM 0 HD2 LYS A 35 4.917 0.183 -7.331 1.00 24.40 H new ATOM 0 HD3 LYS A 35 5.858 1.337 -8.256 1.00 24.40 H new ATOM 0 HE2 LYS A 35 6.939 -1.448 -7.793 1.00 70.22 H new ATOM 0 HE3 LYS A 35 5.723 -1.184 -9.026 1.00 70.22 H new ATOM 0 HZ1 LYS A 35 7.946 -1.023 -9.940 1.00 54.54 H new ATOM 0 HZ2 LYS A 35 7.163 0.480 -10.052 1.00 54.54 H new ATOM 0 HZ3 LYS A 35 8.341 0.224 -8.857 1.00 54.54 H new ATOM 555 N VAL A 36 8.538 2.262 -3.928 1.00 63.32 N ATOM 556 CA VAL A 36 9.987 2.428 -3.902 1.00 24.13 C ATOM 557 C VAL A 36 10.536 2.246 -2.492 1.00 21.41 C ATOM 558 O VAL A 36 11.624 1.703 -2.305 1.00 20.41 O ATOM 559 CB VAL A 36 10.400 3.815 -4.429 1.00 55.44 C ATOM 560 CG1 VAL A 36 11.915 3.917 -4.530 1.00 54.04 C ATOM 561 CG2 VAL A 36 9.748 4.092 -5.774 1.00 45.45 C ATOM 0 H VAL A 36 8.014 3.135 -3.997 1.00 63.32 H new ATOM 0 HA VAL A 36 10.407 1.660 -4.552 1.00 24.13 H new ATOM 0 HB VAL A 36 10.054 4.570 -3.723 1.00 55.44 H new ATOM 0 HG11 VAL A 36 12.189 4.903 -4.904 1.00 54.04 H new ATOM 0 HG12 VAL A 36 12.356 3.767 -3.545 1.00 54.04 H new ATOM 0 HG13 VAL A 36 12.286 3.154 -5.214 1.00 54.04 H new ATOM 0 HG21 VAL A 36 10.052 5.076 -6.130 1.00 45.45 H new ATOM 0 HG22 VAL A 36 10.060 3.334 -6.493 1.00 45.45 H new ATOM 0 HG23 VAL A 36 8.664 4.064 -5.665 1.00 45.45 H new ATOM 571 N GLU A 37 9.774 2.702 -1.503 1.00 54.22 N ATOM 572 CA GLU A 37 10.187 2.590 -0.108 1.00 23.15 C ATOM 573 C GLU A 37 10.592 1.156 0.225 1.00 14.02 C ATOM 574 O GLU A 37 11.664 0.917 0.779 1.00 51.41 O ATOM 575 CB GLU A 37 9.056 3.040 0.818 1.00 52.21 C ATOM 576 CG GLU A 37 9.055 4.534 1.096 1.00 31.20 C ATOM 577 CD GLU A 37 10.356 5.014 1.710 1.00 33.33 C ATOM 578 OE1 GLU A 37 10.721 4.513 2.793 1.00 3.10 O ATOM 579 OE2 GLU A 37 11.009 5.891 1.106 1.00 50.32 O ATOM 0 H GLU A 37 8.869 3.152 -1.641 1.00 54.22 H new ATOM 0 HA GLU A 37 11.050 3.238 0.043 1.00 23.15 H new ATOM 0 HB2 GLU A 37 8.101 2.761 0.373 1.00 52.21 H new ATOM 0 HB3 GLU A 37 9.136 2.503 1.763 1.00 52.21 H new ATOM 0 HG2 GLU A 37 8.876 5.073 0.166 1.00 31.20 H new ATOM 0 HG3 GLU A 37 8.230 4.774 1.767 1.00 31.20 H new ATOM 584 N TYR A 38 9.727 0.208 -0.118 1.00 15.31 N ATOM 585 CA TYR A 38 9.992 -1.201 0.148 1.00 35.34 C ATOM 586 C TYR A 38 10.682 -1.858 -1.043 1.00 71.14 C ATOM 587 O TYR A 38 11.564 -2.700 -0.877 1.00 11.55 O ATOM 588 CB TYR A 38 8.689 -1.935 0.465 1.00 4.11 C ATOM 589 CG TYR A 38 7.791 -1.188 1.425 1.00 4.33 C ATOM 590 CD1 TYR A 38 8.298 -0.635 2.594 1.00 74.11 C ATOM 591 CD2 TYR A 38 6.435 -1.036 1.162 1.00 54.45 C ATOM 592 CE1 TYR A 38 7.482 0.048 3.476 1.00 21.54 C ATOM 593 CE2 TYR A 38 5.611 -0.353 2.037 1.00 51.11 C ATOM 594 CZ TYR A 38 6.139 0.186 3.192 1.00 1.42 C ATOM 595 OH TYR A 38 5.321 0.866 4.065 1.00 73.03 O ATOM 0 H TYR A 38 8.836 0.390 -0.581 1.00 15.31 H new ATOM 0 HA TYR A 38 10.656 -1.264 1.010 1.00 35.34 H new ATOM 0 HB2 TYR A 38 8.146 -2.112 -0.464 1.00 4.11 H new ATOM 0 HB3 TYR A 38 8.925 -2.912 0.887 1.00 4.11 H new ATOM 0 HD1 TYR A 38 9.349 -0.741 2.818 1.00 74.11 H new ATOM 0 HD2 TYR A 38 6.018 -1.458 0.260 1.00 54.45 H new ATOM 0 HE1 TYR A 38 7.893 0.471 4.381 1.00 21.54 H new ATOM 0 HE2 TYR A 38 4.559 -0.242 1.818 1.00 51.11 H new ATOM 0 HH TYR A 38 4.600 0.274 4.366 1.00 73.03 H new ATOM 604 N GLY A 39 10.275 -1.465 -2.246 1.00 33.12 N ATOM 605 CA GLY A 39 10.865 -2.025 -3.449 1.00 33.20 C ATOM 606 C GLY A 39 9.851 -2.757 -4.305 1.00 11.54 C ATOM 607 O GLY A 39 8.739 -3.040 -3.857 1.00 62.22 O ATOM 0 H GLY A 39 9.547 -0.769 -2.410 1.00 33.12 H new ATOM 0 HA2 GLY A 39 11.319 -1.225 -4.033 1.00 33.20 H new ATOM 0 HA3 GLY A 39 11.665 -2.711 -3.172 1.00 33.20 H new ATOM 611 N SER A 40 10.232 -3.063 -5.541 1.00 71.12 N ATOM 612 CA SER A 40 9.346 -3.761 -6.464 1.00 33.51 C ATOM 613 C SER A 40 8.814 -5.048 -5.839 1.00 54.33 C ATOM 614 O SER A 40 7.696 -5.473 -6.126 1.00 73.13 O ATOM 615 CB SER A 40 10.081 -4.080 -7.767 1.00 21.11 C ATOM 616 OG SER A 40 10.232 -2.918 -8.565 1.00 1.42 O ATOM 0 H SER A 40 11.149 -2.838 -5.926 1.00 71.12 H new ATOM 0 HA SER A 40 8.501 -3.107 -6.682 1.00 33.51 H new ATOM 0 HB2 SER A 40 11.061 -4.500 -7.542 1.00 21.11 H new ATOM 0 HB3 SER A 40 9.529 -4.838 -8.323 1.00 21.11 H new ATOM 0 HG SER A 40 10.706 -3.148 -9.391 1.00 1.42 H new ATOM 621 N GLU A 41 9.626 -5.660 -4.982 1.00 62.42 N ATOM 622 CA GLU A 41 9.238 -6.899 -4.317 1.00 34.41 C ATOM 623 C GLU A 41 7.866 -6.758 -3.663 1.00 40.35 C ATOM 624 O GLU A 41 7.020 -7.645 -3.774 1.00 41.23 O ATOM 625 CB GLU A 41 10.280 -7.286 -3.265 1.00 30.51 C ATOM 626 CG GLU A 41 11.364 -8.211 -3.794 1.00 12.41 C ATOM 627 CD GLU A 41 10.861 -9.620 -4.036 1.00 61.35 C ATOM 628 OE1 GLU A 41 10.606 -10.337 -3.045 1.00 23.14 O ATOM 629 OE2 GLU A 41 10.724 -10.009 -5.215 1.00 74.04 O ATOM 0 H GLU A 41 10.554 -5.319 -4.732 1.00 62.42 H new ATOM 0 HA GLU A 41 9.183 -7.685 -5.070 1.00 34.41 H new ATOM 0 HB2 GLU A 41 10.745 -6.380 -2.876 1.00 30.51 H new ATOM 0 HB3 GLU A 41 9.777 -7.771 -2.428 1.00 30.51 H new ATOM 0 HG2 GLU A 41 11.760 -7.806 -4.725 1.00 12.41 H new ATOM 0 HG3 GLU A 41 12.190 -8.241 -3.083 1.00 12.41 H new ATOM 634 N PHE A 42 7.655 -5.638 -2.981 1.00 63.21 N ATOM 635 CA PHE A 42 6.387 -5.381 -2.307 1.00 70.12 C ATOM 636 C PHE A 42 5.267 -5.166 -3.320 1.00 12.21 C ATOM 637 O PHE A 42 4.198 -5.768 -3.218 1.00 21.04 O ATOM 638 CB PHE A 42 6.509 -4.157 -1.396 1.00 43.34 C ATOM 639 CG PHE A 42 5.215 -3.768 -0.740 1.00 53.01 C ATOM 640 CD1 PHE A 42 4.316 -2.937 -1.391 1.00 51.34 C ATOM 641 CD2 PHE A 42 4.896 -4.232 0.525 1.00 45.54 C ATOM 642 CE1 PHE A 42 3.126 -2.576 -0.789 1.00 21.34 C ATOM 643 CE2 PHE A 42 3.706 -3.875 1.132 1.00 43.14 C ATOM 644 CZ PHE A 42 2.820 -3.047 0.473 1.00 32.11 C ATOM 0 H PHE A 42 8.345 -4.894 -2.880 1.00 63.21 H new ATOM 0 HA PHE A 42 6.142 -6.253 -1.701 1.00 70.12 H new ATOM 0 HB2 PHE A 42 7.252 -4.361 -0.625 1.00 43.34 H new ATOM 0 HB3 PHE A 42 6.879 -3.314 -1.980 1.00 43.34 H new ATOM 0 HD1 PHE A 42 4.548 -2.568 -2.379 1.00 51.34 H new ATOM 0 HD2 PHE A 42 5.586 -4.881 1.044 1.00 45.54 H new ATOM 0 HE1 PHE A 42 2.435 -1.926 -1.305 1.00 21.34 H new ATOM 0 HE2 PHE A 42 3.470 -4.243 2.120 1.00 43.14 H new ATOM 0 HZ PHE A 42 1.889 -2.768 0.943 1.00 32.11 H new ATOM 653 N THR A 43 5.519 -4.301 -4.298 1.00 33.21 N ATOM 654 CA THR A 43 4.533 -4.004 -5.329 1.00 41.33 C ATOM 655 C THR A 43 4.083 -5.274 -6.043 1.00 72.24 C ATOM 656 O THR A 43 2.897 -5.461 -6.311 1.00 41.24 O ATOM 657 CB THR A 43 5.089 -3.013 -6.369 1.00 13.02 C ATOM 658 OG1 THR A 43 6.009 -2.111 -5.744 1.00 3.34 O ATOM 659 CG2 THR A 43 3.963 -2.225 -7.022 1.00 14.42 C ATOM 0 H THR A 43 6.398 -3.794 -4.397 1.00 33.21 H new ATOM 0 HA THR A 43 3.678 -3.551 -4.827 1.00 41.33 H new ATOM 0 HB THR A 43 5.607 -3.583 -7.140 1.00 13.02 H new ATOM 0 HG1 THR A 43 5.511 -1.404 -5.282 1.00 3.34 H new ATOM 0 HG21 THR A 43 4.380 -1.532 -7.753 1.00 14.42 H new ATOM 0 HG22 THR A 43 3.281 -2.912 -7.522 1.00 14.42 H new ATOM 0 HG23 THR A 43 3.421 -1.666 -6.260 1.00 14.42 H new ATOM 667 N LYS A 44 5.040 -6.145 -6.348 1.00 41.20 N ATOM 668 CA LYS A 44 4.744 -7.399 -7.029 1.00 3.44 C ATOM 669 C LYS A 44 4.096 -8.397 -6.074 1.00 23.43 C ATOM 670 O LYS A 44 3.076 -9.006 -6.397 1.00 0.00 O ATOM 671 CB LYS A 44 6.023 -7.997 -7.619 1.00 5.43 C ATOM 672 CG LYS A 44 6.578 -7.208 -8.792 1.00 41.33 C ATOM 673 CD LYS A 44 7.850 -7.839 -9.336 1.00 10.55 C ATOM 674 CE LYS A 44 8.163 -7.338 -10.737 1.00 62.44 C ATOM 675 NZ LYS A 44 9.587 -7.578 -11.105 1.00 24.33 N ATOM 0 H LYS A 44 6.027 -6.005 -6.134 1.00 41.20 H new ATOM 0 HA LYS A 44 4.043 -7.188 -7.837 1.00 3.44 H new ATOM 0 HB2 LYS A 44 6.782 -8.053 -6.838 1.00 5.43 H new ATOM 0 HB3 LYS A 44 5.821 -9.018 -7.942 1.00 5.43 H new ATOM 0 HG2 LYS A 44 5.830 -7.155 -9.583 1.00 41.33 H new ATOM 0 HG3 LYS A 44 6.784 -6.184 -8.479 1.00 41.33 H new ATOM 0 HD2 LYS A 44 8.684 -7.611 -8.672 1.00 10.55 H new ATOM 0 HD3 LYS A 44 7.742 -8.924 -9.352 1.00 10.55 H new ATOM 0 HE2 LYS A 44 7.513 -7.837 -11.455 1.00 62.44 H new ATOM 0 HE3 LYS A 44 7.946 -6.272 -10.799 1.00 62.44 H new ATOM 0 HZ1 LYS A 44 9.762 -7.223 -12.067 1.00 24.33 H new ATOM 0 HZ2 LYS A 44 10.207 -7.081 -10.434 1.00 24.33 H new ATOM 0 HZ3 LYS A 44 9.787 -8.598 -11.071 1.00 24.33 H new ATOM 685 N GLN A 45 4.694 -8.558 -4.899 1.00 42.12 N ATOM 686 CA GLN A 45 4.174 -9.482 -3.898 1.00 53.13 C ATOM 687 C GLN A 45 2.767 -9.083 -3.467 1.00 14.40 C ATOM 688 O GLN A 45 2.006 -9.905 -2.958 1.00 45.13 O ATOM 689 CB GLN A 45 5.101 -9.523 -2.681 1.00 1.53 C ATOM 690 CG GLN A 45 4.819 -10.684 -1.740 1.00 33.52 C ATOM 691 CD GLN A 45 5.459 -11.978 -2.205 1.00 42.54 C ATOM 692 OE1 GLN A 45 6.546 -11.975 -2.782 1.00 74.13 O ATOM 693 NE2 GLN A 45 4.786 -13.095 -1.953 1.00 10.31 N ATOM 0 H GLN A 45 5.539 -8.061 -4.616 1.00 42.12 H new ATOM 0 HA GLN A 45 4.129 -10.475 -4.345 1.00 53.13 H new ATOM 0 HB2 GLN A 45 6.134 -9.586 -3.023 1.00 1.53 H new ATOM 0 HB3 GLN A 45 5.005 -8.588 -2.130 1.00 1.53 H new ATOM 0 HG2 GLN A 45 5.187 -10.438 -0.744 1.00 33.52 H new ATOM 0 HG3 GLN A 45 3.742 -10.825 -1.655 1.00 33.52 H new ATOM 0 HE21 GLN A 45 3.888 -13.052 -1.472 1.00 10.31 H new ATOM 0 HE22 GLN A 45 5.168 -13.996 -2.241 1.00 10.31 H new ATOM 700 N MET A 46 2.427 -7.815 -3.674 1.00 72.51 N ATOM 701 CA MET A 46 1.110 -7.307 -3.308 1.00 73.33 C ATOM 702 C MET A 46 0.317 -6.910 -4.548 1.00 24.42 C ATOM 703 O MET A 46 -0.783 -6.365 -4.445 1.00 24.04 O ATOM 704 CB MET A 46 1.246 -6.106 -2.370 1.00 54.32 C ATOM 705 CG MET A 46 2.068 -6.397 -1.125 1.00 40.44 C ATOM 706 SD MET A 46 1.384 -7.745 -0.141 1.00 73.24 S ATOM 707 CE MET A 46 2.775 -8.874 -0.101 1.00 13.15 C ATOM 0 H MET A 46 3.045 -7.120 -4.093 1.00 72.51 H new ATOM 0 HA MET A 46 0.571 -8.103 -2.793 1.00 73.33 H new ATOM 0 HB2 MET A 46 1.705 -5.281 -2.914 1.00 54.32 H new ATOM 0 HB3 MET A 46 0.252 -5.775 -2.070 1.00 54.32 H new ATOM 0 HG2 MET A 46 3.088 -6.647 -1.418 1.00 40.44 H new ATOM 0 HG3 MET A 46 2.124 -5.497 -0.513 1.00 40.44 H new ATOM 0 HE1 MET A 46 2.534 -9.769 -0.675 1.00 13.15 H new ATOM 0 HE2 MET A 46 3.650 -8.389 -0.534 1.00 13.15 H new ATOM 0 HE3 MET A 46 2.988 -9.152 0.931 1.00 13.15 H new ATOM 715 N TYR A 47 0.880 -7.186 -5.719 1.00 31.21 N ATOM 716 CA TYR A 47 0.226 -6.855 -6.979 1.00 4.25 C ATOM 717 C TYR A 47 1.042 -7.358 -8.166 1.00 54.32 C ATOM 718 O TYR A 47 1.956 -6.680 -8.636 1.00 63.32 O ATOM 719 CB TYR A 47 0.021 -5.344 -7.091 1.00 11.10 C ATOM 720 CG TYR A 47 -1.270 -4.957 -7.777 1.00 74.12 C ATOM 721 CD1 TYR A 47 -2.497 -5.383 -7.284 1.00 10.10 C ATOM 722 CD2 TYR A 47 -1.262 -4.162 -8.917 1.00 1.43 C ATOM 723 CE1 TYR A 47 -3.678 -5.032 -7.908 1.00 43.21 C ATOM 724 CE2 TYR A 47 -2.439 -3.805 -9.547 1.00 64.13 C ATOM 725 CZ TYR A 47 -3.644 -4.244 -9.039 1.00 14.10 C ATOM 726 OH TYR A 47 -4.819 -3.891 -9.662 1.00 34.44 O ATOM 0 H TYR A 47 1.788 -7.638 -5.822 1.00 31.21 H new ATOM 0 HA TYR A 47 -0.746 -7.349 -6.994 1.00 4.25 H new ATOM 0 HB2 TYR A 47 0.036 -4.909 -6.092 1.00 11.10 H new ATOM 0 HB3 TYR A 47 0.858 -4.912 -7.640 1.00 11.10 H new ATOM 0 HD1 TYR A 47 -2.528 -5.999 -6.398 1.00 10.10 H new ATOM 0 HD2 TYR A 47 -0.320 -3.817 -9.317 1.00 1.43 H new ATOM 0 HE1 TYR A 47 -4.623 -5.373 -7.512 1.00 43.21 H new ATOM 0 HE2 TYR A 47 -2.416 -3.186 -10.432 1.00 64.13 H new ATOM 0 HH TYR A 47 -4.987 -4.499 -10.412 1.00 34.44 H new ATOM 735 N ASP A 48 0.705 -8.550 -8.646 1.00 41.33 N ATOM 736 CA ASP A 48 1.405 -9.144 -9.778 1.00 24.43 C ATOM 737 C ASP A 48 0.700 -8.809 -11.089 1.00 44.03 C ATOM 738 O ASP A 48 -0.180 -9.542 -11.537 1.00 64.41 O ATOM 739 CB ASP A 48 1.498 -10.661 -9.608 1.00 64.24 C ATOM 740 CG ASP A 48 1.905 -11.364 -10.889 1.00 54.21 C ATOM 741 OD1 ASP A 48 3.120 -11.422 -11.173 1.00 73.32 O ATOM 742 OD2 ASP A 48 1.010 -11.854 -11.608 1.00 33.44 O ATOM 0 H ASP A 48 -0.049 -9.124 -8.268 1.00 41.33 H new ATOM 0 HA ASP A 48 2.412 -8.727 -9.811 1.00 24.43 H new ATOM 0 HB2 ASP A 48 2.220 -10.892 -8.825 1.00 64.24 H new ATOM 0 HB3 ASP A 48 0.534 -11.046 -9.276 1.00 64.24 H new ATOM 746 N GLY A 49 1.093 -7.695 -11.698 1.00 54.00 N ATOM 747 CA GLY A 49 0.488 -7.281 -12.951 1.00 53.22 C ATOM 748 C GLY A 49 -0.705 -6.369 -12.745 1.00 53.34 C ATOM 749 O GLY A 49 -0.550 -5.157 -12.597 1.00 70.11 O ATOM 0 H GLY A 49 1.820 -7.071 -11.346 1.00 54.00 H new ATOM 0 HA2 GLY A 49 1.233 -6.768 -13.559 1.00 53.22 H new ATOM 0 HA3 GLY A 49 0.175 -8.164 -13.509 1.00 53.22 H new ATOM 753 N ASN A 50 -1.900 -6.951 -12.736 1.00 60.25 N ATOM 754 CA ASN A 50 -3.124 -6.182 -12.550 1.00 54.52 C ATOM 755 C ASN A 50 -3.918 -6.705 -11.356 1.00 71.23 C ATOM 756 O ASN A 50 -4.952 -6.145 -10.993 1.00 51.03 O ATOM 757 CB ASN A 50 -3.985 -6.239 -13.813 1.00 71.14 C ATOM 758 CG ASN A 50 -4.802 -4.977 -14.013 1.00 31.41 C ATOM 759 OD1 ASN A 50 -6.022 -5.033 -14.172 1.00 71.33 O ATOM 760 ND2 ASN A 50 -4.131 -3.831 -14.008 1.00 21.35 N ATOM 0 H ASN A 50 -2.046 -7.953 -12.855 1.00 60.25 H new ATOM 0 HA ASN A 50 -2.846 -5.146 -12.355 1.00 54.52 H new ATOM 0 HB2 ASN A 50 -3.343 -6.394 -14.680 1.00 71.14 H new ATOM 0 HB3 ASN A 50 -4.655 -7.097 -13.754 1.00 71.14 H new ATOM 0 HD21 ASN A 50 -4.627 -2.949 -14.139 1.00 21.35 H new ATOM 0 HD22 ASN A 50 -3.120 -3.833 -13.873 1.00 21.35 H new ATOM 766 N ASN A 51 -3.426 -7.780 -10.750 1.00 60.35 N ATOM 767 CA ASN A 51 -4.089 -8.379 -9.597 1.00 71.43 C ATOM 768 C ASN A 51 -3.082 -9.095 -8.702 1.00 2.04 C ATOM 769 O ASN A 51 -1.960 -9.385 -9.119 1.00 4.32 O ATOM 770 CB ASN A 51 -5.169 -9.361 -10.057 1.00 42.23 C ATOM 771 CG ASN A 51 -6.445 -8.661 -10.479 1.00 0.42 C ATOM 772 OD1 ASN A 51 -6.572 -8.210 -11.617 1.00 34.32 O ATOM 773 ND2 ASN A 51 -7.400 -8.566 -9.560 1.00 63.42 N ATOM 0 H ASN A 51 -2.570 -8.255 -11.038 1.00 60.35 H new ATOM 0 HA ASN A 51 -4.556 -7.580 -9.021 1.00 71.43 H new ATOM 0 HB2 ASN A 51 -4.789 -9.951 -10.891 1.00 42.23 H new ATOM 0 HB3 ASN A 51 -5.390 -10.058 -9.249 1.00 42.23 H new ATOM 0 HD21 ASN A 51 -8.281 -8.105 -9.786 1.00 63.42 H new ATOM 0 HD22 ASN A 51 -7.252 -8.954 -8.629 1.00 63.42 H new ATOM 779 N LEU A 52 -3.491 -9.376 -7.469 1.00 23.05 N ATOM 780 CA LEU A 52 -2.625 -10.060 -6.514 1.00 13.44 C ATOM 781 C LEU A 52 -2.030 -11.323 -7.125 1.00 21.44 C ATOM 782 O LEU A 52 -2.610 -11.919 -8.034 1.00 72.32 O ATOM 783 CB LEU A 52 -3.409 -10.412 -5.248 1.00 33.31 C ATOM 784 CG LEU A 52 -4.097 -9.245 -4.538 1.00 53.13 C ATOM 785 CD1 LEU A 52 -3.356 -7.944 -4.808 1.00 4.21 C ATOM 786 CD2 LEU A 52 -5.550 -9.135 -4.977 1.00 53.01 C ATOM 0 H LEU A 52 -4.415 -9.141 -7.108 1.00 23.05 H new ATOM 0 HA LEU A 52 -1.808 -9.386 -6.254 1.00 13.44 H new ATOM 0 HB2 LEU A 52 -4.167 -11.151 -5.508 1.00 33.31 H new ATOM 0 HB3 LEU A 52 -2.727 -10.889 -4.544 1.00 33.31 H new ATOM 0 HG LEU A 52 -4.076 -9.435 -3.465 1.00 53.13 H new ATOM 0 HD11 LEU A 52 -3.860 -7.125 -4.295 1.00 4.21 H new ATOM 0 HD12 LEU A 52 -2.332 -8.026 -4.443 1.00 4.21 H new ATOM 0 HD13 LEU A 52 -3.344 -7.748 -5.880 1.00 4.21 H new ATOM 0 HD21 LEU A 52 -6.024 -8.299 -4.462 1.00 53.01 H new ATOM 0 HD22 LEU A 52 -5.593 -8.969 -6.053 1.00 53.01 H new ATOM 0 HD23 LEU A 52 -6.075 -10.058 -4.731 1.00 53.01 H new ATOM 797 N PHE A 53 -0.871 -11.730 -6.618 1.00 22.41 N ATOM 798 CA PHE A 53 -0.196 -12.925 -7.114 1.00 14.43 C ATOM 799 C PHE A 53 -0.844 -14.186 -6.552 1.00 44.24 C ATOM 800 O PHE A 53 -1.413 -14.989 -7.293 1.00 44.23 O ATOM 801 CB PHE A 53 1.287 -12.889 -6.743 1.00 42.33 C ATOM 802 CG PHE A 53 2.019 -14.158 -7.079 1.00 72.32 C ATOM 803 CD1 PHE A 53 1.924 -14.713 -8.345 1.00 14.51 C ATOM 804 CD2 PHE A 53 2.802 -14.794 -6.130 1.00 51.41 C ATOM 805 CE1 PHE A 53 2.597 -15.879 -8.658 1.00 4.02 C ATOM 806 CE2 PHE A 53 3.477 -15.960 -6.437 1.00 41.14 C ATOM 807 CZ PHE A 53 3.374 -16.504 -7.702 1.00 35.03 C ATOM 0 H PHE A 53 -0.379 -11.250 -5.864 1.00 22.41 H new ATOM 0 HA PHE A 53 -0.290 -12.943 -8.200 1.00 14.43 H new ATOM 0 HB2 PHE A 53 1.763 -12.056 -7.261 1.00 42.33 H new ATOM 0 HB3 PHE A 53 1.382 -12.696 -5.674 1.00 42.33 H new ATOM 0 HD1 PHE A 53 1.317 -14.229 -9.096 1.00 14.51 H new ATOM 0 HD2 PHE A 53 2.886 -14.374 -5.139 1.00 51.41 H new ATOM 0 HE1 PHE A 53 2.515 -16.301 -9.649 1.00 4.02 H new ATOM 0 HE2 PHE A 53 4.085 -16.446 -5.688 1.00 41.14 H new ATOM 0 HZ PHE A 53 3.900 -17.416 -7.943 1.00 35.03 H new ATOM 816 N LYS A 54 -0.752 -14.356 -5.237 1.00 14.01 N ATOM 817 CA LYS A 54 -1.329 -15.519 -4.573 1.00 65.32 C ATOM 818 C LYS A 54 -2.792 -15.274 -4.220 1.00 1.13 C ATOM 819 O LYS A 54 -3.672 -16.036 -4.618 1.00 11.21 O ATOM 820 CB LYS A 54 -0.537 -15.854 -3.308 1.00 73.34 C ATOM 821 CG LYS A 54 -1.075 -17.058 -2.554 1.00 2.33 C ATOM 822 CD LYS A 54 -0.723 -18.358 -3.256 1.00 41.24 C ATOM 823 CE LYS A 54 -1.874 -18.857 -4.115 1.00 70.41 C ATOM 824 NZ LYS A 54 -2.983 -19.412 -3.291 1.00 53.10 N ATOM 0 H LYS A 54 -0.283 -13.702 -4.610 1.00 14.01 H new ATOM 0 HA LYS A 54 -1.277 -16.363 -5.261 1.00 65.32 H new ATOM 0 HB2 LYS A 54 0.502 -16.040 -3.579 1.00 73.34 H new ATOM 0 HB3 LYS A 54 -0.544 -14.988 -2.646 1.00 73.34 H new ATOM 0 HG2 LYS A 54 -0.667 -17.067 -1.543 1.00 2.33 H new ATOM 0 HG3 LYS A 54 -2.158 -16.976 -2.460 1.00 2.33 H new ATOM 0 HD2 LYS A 54 0.159 -18.209 -3.879 1.00 41.24 H new ATOM 0 HD3 LYS A 54 -0.466 -19.115 -2.515 1.00 41.24 H new ATOM 0 HE2 LYS A 54 -2.252 -18.038 -4.727 1.00 70.41 H new ATOM 0 HE3 LYS A 54 -1.511 -19.624 -4.798 1.00 70.41 H new ATOM 0 HZ1 LYS A 54 -3.866 -19.394 -3.840 1.00 53.10 H new ATOM 0 HZ2 LYS A 54 -2.761 -20.392 -3.025 1.00 53.10 H new ATOM 0 HZ3 LYS A 54 -3.098 -18.838 -2.432 1.00 53.10 H new ATOM 834 N ASN A 55 -3.044 -14.205 -3.472 1.00 10.42 N ATOM 835 CA ASN A 55 -4.402 -13.860 -3.066 1.00 11.31 C ATOM 836 C ASN A 55 -4.387 -12.875 -1.900 1.00 33.34 C ATOM 837 O ASN A 55 -5.082 -13.067 -0.902 1.00 64.01 O ATOM 838 CB ASN A 55 -5.176 -15.120 -2.674 1.00 12.41 C ATOM 839 CG ASN A 55 -6.195 -15.522 -3.721 1.00 21.45 C ATOM 840 OD1 ASN A 55 -6.802 -14.670 -4.373 1.00 23.12 O ATOM 841 ND2 ASN A 55 -6.390 -16.825 -3.889 1.00 63.43 N ATOM 0 H ASN A 55 -2.327 -13.563 -3.135 1.00 10.42 H new ATOM 0 HA ASN A 55 -4.898 -13.386 -3.913 1.00 11.31 H new ATOM 0 HB2 ASN A 55 -4.475 -15.940 -2.520 1.00 12.41 H new ATOM 0 HB3 ASN A 55 -5.683 -14.951 -1.724 1.00 12.41 H new ATOM 0 HD21 ASN A 55 -7.064 -17.155 -4.580 1.00 63.43 H new ATOM 0 HD22 ASN A 55 -5.866 -17.496 -3.327 1.00 63.43 H new ATOM 847 N VAL A 56 -3.592 -11.818 -2.036 1.00 45.22 N ATOM 848 CA VAL A 56 -3.488 -10.802 -0.995 1.00 43.24 C ATOM 849 C VAL A 56 -4.803 -10.048 -0.831 1.00 54.14 C ATOM 850 O VAL A 56 -5.476 -9.732 -1.812 1.00 50.21 O ATOM 851 CB VAL A 56 -2.366 -9.795 -1.306 1.00 74.34 C ATOM 852 CG1 VAL A 56 -2.068 -8.933 -0.088 1.00 12.53 C ATOM 853 CG2 VAL A 56 -1.113 -10.520 -1.773 1.00 31.11 C ATOM 0 H VAL A 56 -3.011 -11.643 -2.856 1.00 45.22 H new ATOM 0 HA VAL A 56 -3.253 -11.321 -0.066 1.00 43.24 H new ATOM 0 HB VAL A 56 -2.703 -9.142 -2.111 1.00 74.34 H new ATOM 0 HG11 VAL A 56 -1.272 -8.228 -0.327 1.00 12.53 H new ATOM 0 HG12 VAL A 56 -2.965 -8.384 0.198 1.00 12.53 H new ATOM 0 HG13 VAL A 56 -1.752 -9.569 0.739 1.00 12.53 H new ATOM 0 HG21 VAL A 56 -0.331 -9.792 -1.988 1.00 31.11 H new ATOM 0 HG22 VAL A 56 -0.772 -11.198 -0.991 1.00 31.11 H new ATOM 0 HG23 VAL A 56 -1.337 -11.089 -2.675 1.00 31.11 H new ATOM 863 N ILE A 57 -5.161 -9.761 0.416 1.00 55.41 N ATOM 864 CA ILE A 57 -6.395 -9.042 0.710 1.00 34.51 C ATOM 865 C ILE A 57 -6.115 -7.777 1.516 1.00 24.41 C ATOM 866 O ILE A 57 -5.792 -7.845 2.702 1.00 62.52 O ATOM 867 CB ILE A 57 -7.389 -9.924 1.487 1.00 30.30 C ATOM 868 CG1 ILE A 57 -7.699 -11.197 0.699 1.00 65.21 C ATOM 869 CG2 ILE A 57 -8.667 -9.150 1.778 1.00 64.42 C ATOM 870 CD1 ILE A 57 -8.088 -12.369 1.572 1.00 44.21 C ATOM 0 H ILE A 57 -4.614 -10.015 1.239 1.00 55.41 H new ATOM 0 HA ILE A 57 -6.838 -8.769 -0.248 1.00 34.51 H new ATOM 0 HB ILE A 57 -6.935 -10.209 2.436 1.00 30.30 H new ATOM 0 HG12 ILE A 57 -8.508 -10.992 -0.002 1.00 65.21 H new ATOM 0 HG13 ILE A 57 -6.825 -11.470 0.107 1.00 65.21 H new ATOM 0 HG21 ILE A 57 -9.361 -9.786 2.328 1.00 64.42 H new ATOM 0 HG22 ILE A 57 -8.431 -8.269 2.375 1.00 64.42 H new ATOM 0 HG23 ILE A 57 -9.126 -8.839 0.839 1.00 64.42 H new ATOM 0 HD11 ILE A 57 -8.294 -13.237 0.945 1.00 44.21 H new ATOM 0 HD12 ILE A 57 -7.271 -12.600 2.256 1.00 44.21 H new ATOM 0 HD13 ILE A 57 -8.980 -12.116 2.145 1.00 44.21 H new ATOM 881 N ILE A 58 -6.245 -6.627 0.864 1.00 52.43 N ATOM 882 CA ILE A 58 -6.009 -5.348 1.522 1.00 15.52 C ATOM 883 C ILE A 58 -7.229 -4.438 1.409 1.00 3.11 C ATOM 884 O ILE A 58 -7.839 -4.329 0.345 1.00 72.43 O ATOM 885 CB ILE A 58 -4.787 -4.624 0.926 1.00 21.42 C ATOM 886 CG1 ILE A 58 -4.902 -3.115 1.148 1.00 75.12 C ATOM 887 CG2 ILE A 58 -4.659 -4.938 -0.558 1.00 54.03 C ATOM 888 CD1 ILE A 58 -3.576 -2.391 1.073 1.00 53.21 C ATOM 0 H ILE A 58 -6.512 -6.554 -0.118 1.00 52.43 H new ATOM 0 HA ILE A 58 -5.816 -5.565 2.572 1.00 15.52 H new ATOM 0 HB ILE A 58 -3.890 -4.979 1.433 1.00 21.42 H new ATOM 0 HG12 ILE A 58 -5.578 -2.697 0.402 1.00 75.12 H new ATOM 0 HG13 ILE A 58 -5.352 -2.933 2.124 1.00 75.12 H new ATOM 0 HG21 ILE A 58 -3.791 -4.420 -0.966 1.00 54.03 H new ATOM 0 HG22 ILE A 58 -4.537 -6.013 -0.693 1.00 54.03 H new ATOM 0 HG23 ILE A 58 -5.557 -4.607 -1.079 1.00 54.03 H new ATOM 0 HD11 ILE A 58 -3.733 -1.325 1.240 1.00 53.21 H new ATOM 0 HD12 ILE A 58 -2.904 -2.782 1.837 1.00 53.21 H new ATOM 0 HD13 ILE A 58 -3.134 -2.543 0.088 1.00 53.21 H new ATOM 899 N LEU A 59 -7.578 -3.787 2.513 1.00 3.44 N ATOM 900 CA LEU A 59 -8.725 -2.885 2.539 1.00 62.22 C ATOM 901 C LEU A 59 -8.301 -1.477 2.941 1.00 74.41 C ATOM 902 O LEU A 59 -7.399 -1.298 3.760 1.00 41.11 O ATOM 903 CB LEU A 59 -9.786 -3.406 3.509 1.00 4.42 C ATOM 904 CG LEU A 59 -10.663 -4.548 2.994 1.00 2.33 C ATOM 905 CD1 LEU A 59 -11.368 -5.243 4.149 1.00 52.22 C ATOM 906 CD2 LEU A 59 -11.676 -4.029 1.984 1.00 3.43 C ATOM 0 H LEU A 59 -7.084 -3.867 3.402 1.00 3.44 H new ATOM 0 HA LEU A 59 -9.147 -2.845 1.535 1.00 62.22 H new ATOM 0 HB2 LEU A 59 -9.286 -3.740 4.418 1.00 4.42 H new ATOM 0 HB3 LEU A 59 -10.433 -2.575 3.789 1.00 4.42 H new ATOM 0 HG LEU A 59 -10.022 -5.275 2.496 1.00 2.33 H new ATOM 0 HD11 LEU A 59 -11.987 -6.053 3.763 1.00 52.22 H new ATOM 0 HD12 LEU A 59 -10.626 -5.650 4.836 1.00 52.22 H new ATOM 0 HD13 LEU A 59 -11.996 -4.525 4.676 1.00 52.22 H new ATOM 0 HD21 LEU A 59 -12.291 -4.855 1.628 1.00 3.43 H new ATOM 0 HD22 LEU A 59 -12.312 -3.281 2.458 1.00 3.43 H new ATOM 0 HD23 LEU A 59 -11.152 -3.578 1.141 1.00 3.43 H new ATOM 917 N VAL A 60 -8.957 -0.477 2.359 1.00 64.42 N ATOM 918 CA VAL A 60 -8.650 0.916 2.658 1.00 43.11 C ATOM 919 C VAL A 60 -9.797 1.582 3.409 1.00 40.43 C ATOM 920 O VAL A 60 -10.932 1.610 2.933 1.00 51.45 O ATOM 921 CB VAL A 60 -8.360 1.715 1.373 1.00 51.24 C ATOM 922 CG1 VAL A 60 -8.091 3.175 1.703 1.00 60.13 C ATOM 923 CG2 VAL A 60 -7.187 1.105 0.621 1.00 22.35 C ATOM 0 H VAL A 60 -9.705 -0.607 1.677 1.00 64.42 H new ATOM 0 HA VAL A 60 -7.759 0.916 3.286 1.00 43.11 H new ATOM 0 HB VAL A 60 -9.238 1.668 0.729 1.00 51.24 H new ATOM 0 HG11 VAL A 60 -7.888 3.724 0.784 1.00 60.13 H new ATOM 0 HG12 VAL A 60 -8.963 3.603 2.197 1.00 60.13 H new ATOM 0 HG13 VAL A 60 -7.228 3.245 2.366 1.00 60.13 H new ATOM 0 HG21 VAL A 60 -6.996 1.682 -0.284 1.00 22.35 H new ATOM 0 HG22 VAL A 60 -6.301 1.120 1.255 1.00 22.35 H new ATOM 0 HG23 VAL A 60 -7.423 0.075 0.352 1.00 22.35 H new ATOM 933 N ASN A 61 -9.494 2.118 4.587 1.00 33.22 N ATOM 934 CA ASN A 61 -10.500 2.785 5.406 1.00 20.10 C ATOM 935 C ASN A 61 -11.706 1.878 5.631 1.00 11.13 C ATOM 936 O ASN A 61 -12.846 2.340 5.666 1.00 60.42 O ATOM 937 CB ASN A 61 -10.945 4.089 4.741 1.00 55.41 C ATOM 938 CG ASN A 61 -11.775 4.956 5.668 1.00 52.34 C ATOM 939 OD1 ASN A 61 -11.488 5.060 6.861 1.00 51.21 O ATOM 940 ND2 ASN A 61 -12.811 5.583 5.123 1.00 52.31 N ATOM 0 H ASN A 61 -8.560 2.103 4.996 1.00 33.22 H new ATOM 0 HA ASN A 61 -10.053 3.012 6.374 1.00 20.10 H new ATOM 0 HB2 ASN A 61 -10.066 4.646 4.416 1.00 55.41 H new ATOM 0 HB3 ASN A 61 -11.525 3.859 3.847 1.00 55.41 H new ATOM 0 HD21 ASN A 61 -13.406 6.180 5.698 1.00 52.31 H new ATOM 0 HD22 ASN A 61 -13.012 5.468 4.130 1.00 52.31 H new ATOM 946 N GLY A 62 -11.446 0.583 5.783 1.00 2.41 N ATOM 947 CA GLY A 62 -12.520 -0.368 6.004 1.00 42.21 C ATOM 948 C GLY A 62 -13.372 -0.577 4.768 1.00 23.13 C ATOM 949 O GLY A 62 -14.596 -0.667 4.858 1.00 75.51 O ATOM 0 H GLY A 62 -10.511 0.176 5.757 1.00 2.41 H new ATOM 0 HA2 GLY A 62 -12.097 -1.323 6.316 1.00 42.21 H new ATOM 0 HA3 GLY A 62 -13.150 -0.016 6.821 1.00 42.21 H new ATOM 953 N ASN A 63 -12.724 -0.654 3.610 1.00 34.12 N ATOM 954 CA ASN A 63 -13.431 -0.850 2.350 1.00 20.12 C ATOM 955 C ASN A 63 -12.452 -0.915 1.181 1.00 2.11 C ATOM 956 O ASN A 63 -11.450 -0.202 1.157 1.00 40.22 O ATOM 957 CB ASN A 63 -14.438 0.279 2.124 1.00 31.10 C ATOM 958 CG ASN A 63 -15.870 -0.175 2.322 1.00 25.24 C ATOM 959 OD1 ASN A 63 -16.631 0.439 3.070 1.00 62.53 O ATOM 960 ND2 ASN A 63 -16.246 -1.257 1.649 1.00 0.32 N ATOM 0 H ASN A 63 -11.711 -0.584 3.518 1.00 34.12 H new ATOM 0 HA ASN A 63 -13.966 -1.798 2.407 1.00 20.12 H new ATOM 0 HB2 ASN A 63 -14.221 1.098 2.810 1.00 31.10 H new ATOM 0 HB3 ASN A 63 -14.320 0.670 1.113 1.00 31.10 H new ATOM 0 HD21 ASN A 63 -17.199 -1.610 1.741 1.00 0.32 H new ATOM 0 HD22 ASN A 63 -15.582 -1.735 1.040 1.00 0.32 H new ATOM 966 N ASN A 64 -12.751 -1.777 0.214 1.00 32.43 N ATOM 967 CA ASN A 64 -11.897 -1.935 -0.958 1.00 1.54 C ATOM 968 C ASN A 64 -12.037 -0.741 -1.898 1.00 42.22 C ATOM 969 O ASN A 64 -13.145 -0.369 -2.285 1.00 42.14 O ATOM 970 CB ASN A 64 -12.249 -3.226 -1.700 1.00 2.52 C ATOM 971 CG ASN A 64 -13.741 -3.369 -1.936 1.00 15.01 C ATOM 972 OD1 ASN A 64 -14.451 -3.884 -0.939 1.00 44.24 O flip ATOM 973 ND2 ASN A 64 -14.248 -3.020 -3.003 1.00 24.20 N flip ATOM 0 H ASN A 64 -13.577 -2.376 0.219 1.00 32.43 H new ATOM 0 HA ASN A 64 -10.863 -1.989 -0.619 1.00 1.54 H new ATOM 0 HB2 ASN A 64 -11.729 -3.245 -2.658 1.00 2.52 H new ATOM 0 HB3 ASN A 64 -11.891 -4.081 -1.126 1.00 2.52 H new ATOM 0 HD21 ASN A 64 -13.663 -2.629 -3.742 1.00 24.20 H new ATOM 0 HD22 ASN A 64 -15.253 -3.122 -3.148 1.00 24.20 H new ATOM 979 N ILE A 65 -10.905 -0.146 -2.261 1.00 5.21 N ATOM 980 CA ILE A 65 -10.901 1.004 -3.156 1.00 22.21 C ATOM 981 C ILE A 65 -11.624 0.687 -4.461 1.00 0.53 C ATOM 982 O ILE A 65 -12.145 1.582 -5.129 1.00 53.52 O ATOM 983 CB ILE A 65 -9.466 1.462 -3.477 1.00 55.12 C ATOM 984 CG1 ILE A 65 -8.682 0.330 -4.143 1.00 63.32 C ATOM 985 CG2 ILE A 65 -8.762 1.925 -2.210 1.00 15.43 C ATOM 986 CD1 ILE A 65 -7.250 0.694 -4.465 1.00 75.11 C ATOM 0 H ILE A 65 -9.980 -0.441 -1.949 1.00 5.21 H new ATOM 0 HA ILE A 65 -11.424 1.808 -2.639 1.00 22.21 H new ATOM 0 HB ILE A 65 -9.516 2.301 -4.170 1.00 55.12 H new ATOM 0 HG12 ILE A 65 -8.688 -0.540 -3.487 1.00 63.32 H new ATOM 0 HG13 ILE A 65 -9.190 0.039 -5.063 1.00 63.32 H new ATOM 0 HG21 ILE A 65 -7.749 2.246 -2.453 1.00 15.43 H new ATOM 0 HG22 ILE A 65 -9.311 2.759 -1.772 1.00 15.43 H new ATOM 0 HG23 ILE A 65 -8.721 1.103 -1.496 1.00 15.43 H new ATOM 0 HD11 ILE A 65 -6.755 -0.156 -4.935 1.00 75.11 H new ATOM 0 HD12 ILE A 65 -7.235 1.545 -5.146 1.00 75.11 H new ATOM 0 HD13 ILE A 65 -6.726 0.956 -3.546 1.00 75.11 H new ATOM 997 N THR A 66 -11.655 -0.593 -4.819 1.00 30.15 N ATOM 998 CA THR A 66 -12.315 -1.028 -6.043 1.00 31.43 C ATOM 999 C THR A 66 -13.800 -0.685 -6.020 1.00 11.45 C ATOM 1000 O THR A 66 -14.423 -0.506 -7.066 1.00 50.04 O ATOM 1001 CB THR A 66 -12.154 -2.545 -6.259 1.00 20.52 C ATOM 1002 OG1 THR A 66 -12.743 -3.260 -5.168 1.00 71.25 O ATOM 1003 CG2 THR A 66 -10.685 -2.920 -6.386 1.00 3.54 C ATOM 0 H THR A 66 -11.230 -1.346 -4.278 1.00 30.15 H new ATOM 0 HA THR A 66 -11.835 -0.498 -6.866 1.00 31.43 H new ATOM 0 HB THR A 66 -12.662 -2.815 -7.185 1.00 20.52 H new ATOM 0 HG1 THR A 66 -13.685 -3.444 -5.368 1.00 71.25 H new ATOM 0 HG21 THR A 66 -10.596 -3.996 -6.538 1.00 3.54 H new ATOM 0 HG22 THR A 66 -10.248 -2.396 -7.236 1.00 3.54 H new ATOM 0 HG23 THR A 66 -10.157 -2.637 -5.475 1.00 3.54 H new ATOM 1011 N SER A 67 -14.362 -0.592 -4.818 1.00 21.23 N ATOM 1012 CA SER A 67 -15.775 -0.273 -4.658 1.00 32.14 C ATOM 1013 C SER A 67 -16.157 0.941 -5.500 1.00 53.24 C ATOM 1014 O SER A 67 -17.180 0.939 -6.184 1.00 15.34 O ATOM 1015 CB SER A 67 -16.097 -0.008 -3.186 1.00 24.22 C ATOM 1016 OG SER A 67 -17.389 0.556 -3.039 1.00 62.21 O ATOM 0 H SER A 67 -13.860 -0.733 -3.942 1.00 21.23 H new ATOM 0 HA SER A 67 -16.356 -1.129 -5.001 1.00 32.14 H new ATOM 0 HB2 SER A 67 -16.038 -0.940 -2.624 1.00 24.22 H new ATOM 0 HB3 SER A 67 -15.352 0.667 -2.764 1.00 24.22 H new ATOM 0 HG SER A 67 -17.571 0.714 -2.089 1.00 62.21 H new ATOM 1021 N MET A 68 -15.325 1.976 -5.444 1.00 30.23 N ATOM 1022 CA MET A 68 -15.574 3.197 -6.203 1.00 15.11 C ATOM 1023 C MET A 68 -14.431 3.477 -7.173 1.00 1.50 C ATOM 1024 O MET A 68 -14.563 3.272 -8.380 1.00 32.15 O ATOM 1025 CB MET A 68 -15.755 4.384 -5.254 1.00 22.23 C ATOM 1026 CG MET A 68 -15.167 4.152 -3.871 1.00 23.42 C ATOM 1027 SD MET A 68 -15.392 5.566 -2.775 1.00 21.51 S ATOM 1028 CE MET A 68 -16.910 5.109 -1.941 1.00 0.42 C ATOM 0 H MET A 68 -14.474 1.994 -4.882 1.00 30.23 H new ATOM 0 HA MET A 68 -16.489 3.057 -6.778 1.00 15.11 H new ATOM 0 HB2 MET A 68 -15.289 5.265 -5.695 1.00 22.23 H new ATOM 0 HB3 MET A 68 -16.819 4.601 -5.156 1.00 22.23 H new ATOM 0 HG2 MET A 68 -15.633 3.274 -3.425 1.00 23.42 H new ATOM 0 HG3 MET A 68 -14.103 3.935 -3.964 1.00 23.42 H new ATOM 0 HE1 MET A 68 -17.182 5.887 -1.228 1.00 0.42 H new ATOM 0 HE2 MET A 68 -17.708 4.995 -2.675 1.00 0.42 H new ATOM 0 HE3 MET A 68 -16.765 4.167 -1.413 1.00 0.42 H new ATOM 1036 N LYS A 69 -13.309 3.946 -6.639 1.00 53.12 N ATOM 1037 CA LYS A 69 -12.141 4.253 -7.456 1.00 71.00 C ATOM 1038 C LYS A 69 -10.915 3.490 -6.964 1.00 10.02 C ATOM 1039 O LYS A 69 -10.578 3.536 -5.782 1.00 45.43 O ATOM 1040 CB LYS A 69 -11.861 5.757 -7.436 1.00 73.51 C ATOM 1041 CG LYS A 69 -12.788 6.561 -8.330 1.00 23.04 C ATOM 1042 CD LYS A 69 -12.420 6.410 -9.797 1.00 54.01 C ATOM 1043 CE LYS A 69 -13.326 7.243 -10.689 1.00 1.24 C ATOM 1044 NZ LYS A 69 -13.047 8.700 -10.558 1.00 14.34 N ATOM 0 H LYS A 69 -13.183 4.122 -5.642 1.00 53.12 H new ATOM 0 HA LYS A 69 -12.353 3.942 -8.479 1.00 71.00 H new ATOM 0 HB2 LYS A 69 -11.951 6.121 -6.413 1.00 73.51 H new ATOM 0 HB3 LYS A 69 -10.831 5.930 -7.746 1.00 73.51 H new ATOM 0 HG2 LYS A 69 -13.816 6.234 -8.177 1.00 23.04 H new ATOM 0 HG3 LYS A 69 -12.743 7.613 -8.049 1.00 23.04 H new ATOM 0 HD2 LYS A 69 -11.384 6.713 -9.946 1.00 54.01 H new ATOM 0 HD3 LYS A 69 -12.490 5.361 -10.084 1.00 54.01 H new ATOM 0 HE2 LYS A 69 -13.192 6.940 -11.727 1.00 1.24 H new ATOM 0 HE3 LYS A 69 -14.367 7.048 -10.432 1.00 1.24 H new ATOM 0 HZ1 LYS A 69 -13.600 9.224 -11.266 1.00 14.34 H new ATOM 0 HZ2 LYS A 69 -13.312 9.020 -9.605 1.00 14.34 H new ATOM 0 HZ3 LYS A 69 -12.033 8.875 -10.712 1.00 14.34 H new ATOM 1054 N GLY A 70 -10.253 2.790 -7.879 1.00 41.24 N ATOM 1055 CA GLY A 70 -9.071 2.029 -7.518 1.00 40.15 C ATOM 1056 C GLY A 70 -7.994 2.892 -6.891 1.00 43.03 C ATOM 1057 O GLY A 70 -8.045 3.191 -5.697 1.00 64.02 O ATOM 0 H GLY A 70 -10.514 2.736 -8.864 1.00 41.24 H new ATOM 0 HA2 GLY A 70 -9.350 1.239 -6.821 1.00 40.15 H new ATOM 0 HA3 GLY A 70 -8.670 1.543 -8.407 1.00 40.15 H new ATOM 1061 N LEU A 71 -7.016 3.291 -7.695 1.00 32.10 N ATOM 1062 CA LEU A 71 -5.920 4.124 -7.212 1.00 71.04 C ATOM 1063 C LEU A 71 -6.366 5.575 -7.056 1.00 65.35 C ATOM 1064 O LEU A 71 -5.703 6.370 -6.392 1.00 54.15 O ATOM 1065 CB LEU A 71 -4.731 4.044 -8.171 1.00 63.41 C ATOM 1066 CG LEU A 71 -3.376 4.460 -7.597 1.00 1.45 C ATOM 1067 CD1 LEU A 71 -2.732 3.300 -6.855 1.00 63.23 C ATOM 1068 CD2 LEU A 71 -2.459 4.964 -8.703 1.00 4.34 C ATOM 0 H LEU A 71 -6.959 3.051 -8.685 1.00 32.10 H new ATOM 0 HA LEU A 71 -5.616 3.750 -6.234 1.00 71.04 H new ATOM 0 HB2 LEU A 71 -4.650 3.019 -8.533 1.00 63.41 H new ATOM 0 HB3 LEU A 71 -4.945 4.672 -9.036 1.00 63.41 H new ATOM 0 HG LEU A 71 -3.537 5.273 -6.889 1.00 1.45 H new ATOM 0 HD11 LEU A 71 -1.769 3.615 -6.454 1.00 63.23 H new ATOM 0 HD12 LEU A 71 -3.381 2.986 -6.037 1.00 63.23 H new ATOM 0 HD13 LEU A 71 -2.584 2.466 -7.541 1.00 63.23 H new ATOM 0 HD21 LEU A 71 -1.500 5.255 -8.276 1.00 4.34 H new ATOM 0 HD22 LEU A 71 -2.304 4.172 -9.436 1.00 4.34 H new ATOM 0 HD23 LEU A 71 -2.916 5.825 -9.190 1.00 4.34 H new ATOM 1079 N ASP A 72 -7.494 5.910 -7.672 1.00 35.11 N ATOM 1080 CA ASP A 72 -8.031 7.264 -7.600 1.00 53.10 C ATOM 1081 C ASP A 72 -8.710 7.508 -6.255 1.00 22.13 C ATOM 1082 O ASP A 72 -9.127 8.626 -5.952 1.00 52.02 O ATOM 1083 CB ASP A 72 -9.024 7.504 -8.738 1.00 5.12 C ATOM 1084 CG ASP A 72 -8.383 8.176 -9.935 1.00 73.53 C ATOM 1085 OD1 ASP A 72 -7.139 8.132 -10.044 1.00 43.10 O ATOM 1086 OD2 ASP A 72 -9.122 8.748 -10.762 1.00 25.13 O ATOM 0 H ASP A 72 -8.054 5.263 -8.227 1.00 35.11 H new ATOM 0 HA ASP A 72 -7.201 7.963 -7.700 1.00 53.10 H new ATOM 0 HB2 ASP A 72 -9.454 6.552 -9.047 1.00 5.12 H new ATOM 0 HB3 ASP A 72 -9.845 8.122 -8.375 1.00 5.12 H new ATOM 1090 N THR A 73 -8.820 6.453 -5.453 1.00 72.10 N ATOM 1091 CA THR A 73 -9.450 6.552 -4.143 1.00 44.31 C ATOM 1092 C THR A 73 -8.702 7.531 -3.245 1.00 11.25 C ATOM 1093 O THR A 73 -7.473 7.570 -3.243 1.00 64.11 O ATOM 1094 CB THR A 73 -9.514 5.180 -3.446 1.00 1.24 C ATOM 1095 OG1 THR A 73 -10.840 4.646 -3.536 1.00 40.05 O ATOM 1096 CG2 THR A 73 -9.108 5.296 -1.984 1.00 73.44 C ATOM 0 H THR A 73 -8.481 5.520 -5.688 1.00 72.10 H new ATOM 0 HA THR A 73 -10.464 6.916 -4.307 1.00 44.31 H new ATOM 0 HB THR A 73 -8.817 4.509 -3.949 1.00 1.24 H new ATOM 0 HG1 THR A 73 -10.965 4.227 -4.413 1.00 40.05 H new ATOM 0 HG21 THR A 73 -9.161 4.315 -1.513 1.00 73.44 H new ATOM 0 HG22 THR A 73 -8.088 5.675 -1.919 1.00 73.44 H new ATOM 0 HG23 THR A 73 -9.784 5.981 -1.472 1.00 73.44 H new ATOM 1104 N GLU A 74 -9.454 8.321 -2.484 1.00 45.23 N ATOM 1105 CA GLU A 74 -8.861 9.300 -1.581 1.00 71.22 C ATOM 1106 C GLU A 74 -8.831 8.773 -0.150 1.00 72.14 C ATOM 1107 O GLU A 74 -9.793 8.166 0.319 1.00 14.42 O ATOM 1108 CB GLU A 74 -9.640 10.615 -1.636 1.00 21.01 C ATOM 1109 CG GLU A 74 -11.133 10.447 -1.409 1.00 14.22 C ATOM 1110 CD GLU A 74 -11.856 11.774 -1.277 1.00 22.22 C ATOM 1111 OE1 GLU A 74 -11.646 12.466 -0.259 1.00 31.04 O ATOM 1112 OE2 GLU A 74 -12.632 12.120 -2.192 1.00 25.52 O ATOM 0 H GLU A 74 -10.474 8.302 -2.475 1.00 45.23 H new ATOM 0 HA GLU A 74 -7.836 9.480 -1.905 1.00 71.22 H new ATOM 0 HB2 GLU A 74 -9.241 11.296 -0.884 1.00 21.01 H new ATOM 0 HB3 GLU A 74 -9.479 11.083 -2.607 1.00 21.01 H new ATOM 0 HG2 GLU A 74 -11.562 9.885 -2.239 1.00 14.22 H new ATOM 0 HG3 GLU A 74 -11.295 9.858 -0.507 1.00 14.22 H new ATOM 1117 N ILE A 75 -7.718 9.009 0.538 1.00 41.12 N ATOM 1118 CA ILE A 75 -7.562 8.559 1.916 1.00 32.02 C ATOM 1119 C ILE A 75 -7.258 9.729 2.845 1.00 60.13 C ATOM 1120 O ILE A 75 -6.221 10.381 2.722 1.00 54.13 O ATOM 1121 CB ILE A 75 -6.441 7.512 2.043 1.00 74.44 C ATOM 1122 CG1 ILE A 75 -5.213 7.949 1.241 1.00 44.12 C ATOM 1123 CG2 ILE A 75 -6.931 6.151 1.573 1.00 31.31 C ATOM 1124 CD1 ILE A 75 -4.065 6.966 1.310 1.00 40.54 C ATOM 0 H ILE A 75 -6.912 9.509 0.164 1.00 41.12 H new ATOM 0 HA ILE A 75 -8.508 8.103 2.208 1.00 32.02 H new ATOM 0 HB ILE A 75 -6.157 7.431 3.092 1.00 74.44 H new ATOM 0 HG12 ILE A 75 -5.500 8.087 0.199 1.00 44.12 H new ATOM 0 HG13 ILE A 75 -4.874 8.917 1.609 1.00 44.12 H new ATOM 0 HG21 ILE A 75 -6.127 5.422 1.669 1.00 31.31 H new ATOM 0 HG22 ILE A 75 -7.779 5.839 2.183 1.00 31.31 H new ATOM 0 HG23 ILE A 75 -7.239 6.216 0.530 1.00 31.31 H new ATOM 0 HD11 ILE A 75 -3.229 7.340 0.719 1.00 40.54 H new ATOM 0 HD12 ILE A 75 -3.751 6.846 2.347 1.00 40.54 H new ATOM 0 HD13 ILE A 75 -4.387 6.003 0.914 1.00 40.54 H new ATOM 1135 N LYS A 76 -8.169 9.990 3.777 1.00 44.22 N ATOM 1136 CA LYS A 76 -7.998 11.078 4.731 1.00 34.21 C ATOM 1137 C LYS A 76 -6.880 10.765 5.721 1.00 4.34 C ATOM 1138 O LYS A 76 -6.329 9.664 5.721 1.00 63.02 O ATOM 1139 CB LYS A 76 -9.305 11.335 5.485 1.00 65.14 C ATOM 1140 CG LYS A 76 -10.450 11.768 4.587 1.00 35.01 C ATOM 1141 CD LYS A 76 -10.257 13.189 4.084 1.00 52.40 C ATOM 1142 CE LYS A 76 -10.805 14.209 5.072 1.00 31.31 C ATOM 1143 NZ LYS A 76 -12.292 14.179 5.132 1.00 20.51 N ATOM 0 H LYS A 76 -9.034 9.462 3.891 1.00 44.22 H new ATOM 0 HA LYS A 76 -7.725 11.975 4.174 1.00 34.21 H new ATOM 0 HB2 LYS A 76 -9.593 10.427 6.015 1.00 65.14 H new ATOM 0 HB3 LYS A 76 -9.135 12.104 6.239 1.00 65.14 H new ATOM 0 HG2 LYS A 76 -10.526 11.088 3.739 1.00 35.01 H new ATOM 0 HG3 LYS A 76 -11.390 11.699 5.135 1.00 35.01 H new ATOM 0 HD2 LYS A 76 -9.196 13.376 3.917 1.00 52.40 H new ATOM 0 HD3 LYS A 76 -10.757 13.307 3.123 1.00 52.40 H new ATOM 0 HE2 LYS A 76 -10.397 14.010 6.063 1.00 31.31 H new ATOM 0 HE3 LYS A 76 -10.473 15.207 4.785 1.00 31.31 H new ATOM 0 HZ1 LYS A 76 -12.642 15.080 5.515 1.00 20.51 H new ATOM 0 HZ2 LYS A 76 -12.675 14.037 4.176 1.00 20.51 H new ATOM 0 HZ3 LYS A 76 -12.599 13.399 5.747 1.00 20.51 H new ATOM 1153 N ASP A 77 -6.554 11.738 6.565 1.00 63.05 N ATOM 1154 CA ASP A 77 -5.504 11.564 7.563 1.00 60.33 C ATOM 1155 C ASP A 77 -5.916 10.536 8.611 1.00 65.23 C ATOM 1156 O ASP A 77 -5.077 9.809 9.146 1.00 23.13 O ATOM 1157 CB ASP A 77 -5.185 12.899 8.237 1.00 4.35 C ATOM 1158 CG ASP A 77 -6.413 13.548 8.844 1.00 21.35 C ATOM 1159 OD1 ASP A 77 -6.768 13.195 9.988 1.00 54.15 O ATOM 1160 OD2 ASP A 77 -7.020 14.410 8.175 1.00 21.15 O ATOM 0 H ASP A 77 -7.001 12.655 6.578 1.00 63.05 H new ATOM 0 HA ASP A 77 -4.611 11.200 7.055 1.00 60.33 H new ATOM 0 HB2 ASP A 77 -4.439 12.741 9.016 1.00 4.35 H new ATOM 0 HB3 ASP A 77 -4.744 13.576 7.505 1.00 4.35 H new ATOM 1164 N ASP A 78 -7.211 10.480 8.901 1.00 1.13 N ATOM 1165 CA ASP A 78 -7.735 9.541 9.887 1.00 72.11 C ATOM 1166 C ASP A 78 -7.867 8.144 9.288 1.00 11.31 C ATOM 1167 O ASP A 78 -7.786 7.142 10.000 1.00 55.20 O ATOM 1168 CB ASP A 78 -9.092 10.018 10.406 1.00 62.12 C ATOM 1169 CG ASP A 78 -9.452 9.395 11.740 1.00 53.03 C ATOM 1170 OD1 ASP A 78 -8.850 9.790 12.760 1.00 70.03 O ATOM 1171 OD2 ASP A 78 -10.336 8.514 11.765 1.00 44.20 O ATOM 0 H ASP A 78 -7.918 11.074 8.467 1.00 1.13 H new ATOM 0 HA ASP A 78 -7.033 9.495 10.720 1.00 72.11 H new ATOM 0 HB2 ASP A 78 -9.078 11.103 10.507 1.00 62.12 H new ATOM 0 HB3 ASP A 78 -9.863 9.776 9.675 1.00 62.12 H new ATOM 1175 N ASP A 79 -8.072 8.084 7.977 1.00 15.41 N ATOM 1176 CA ASP A 79 -8.216 6.810 7.283 1.00 3.14 C ATOM 1177 C ASP A 79 -7.055 5.877 7.613 1.00 73.21 C ATOM 1178 O ASP A 79 -5.969 6.327 7.980 1.00 44.24 O ATOM 1179 CB ASP A 79 -8.293 7.034 5.772 1.00 62.11 C ATOM 1180 CG ASP A 79 -9.623 7.623 5.341 1.00 61.04 C ATOM 1181 OD1 ASP A 79 -10.388 8.068 6.222 1.00 72.42 O ATOM 1182 OD2 ASP A 79 -9.896 7.637 4.123 1.00 14.32 O ATOM 0 H ASP A 79 -8.142 8.903 7.373 1.00 15.41 H new ATOM 0 HA ASP A 79 -9.141 6.343 7.621 1.00 3.14 H new ATOM 0 HB2 ASP A 79 -7.487 7.701 5.465 1.00 62.11 H new ATOM 0 HB3 ASP A 79 -8.135 6.086 5.258 1.00 62.11 H new ATOM 1186 N LYS A 80 -7.292 4.577 7.480 1.00 51.03 N ATOM 1187 CA LYS A 80 -6.266 3.580 7.765 1.00 24.43 C ATOM 1188 C LYS A 80 -6.350 2.417 6.779 1.00 34.05 C ATOM 1189 O LYS A 80 -7.440 1.946 6.453 1.00 45.34 O ATOM 1190 CB LYS A 80 -6.414 3.060 9.196 1.00 40.32 C ATOM 1191 CG LYS A 80 -7.841 2.696 9.568 1.00 34.23 C ATOM 1192 CD LYS A 80 -7.902 1.960 10.895 1.00 63.34 C ATOM 1193 CE LYS A 80 -7.740 2.912 12.070 1.00 10.04 C ATOM 1194 NZ LYS A 80 -8.490 2.446 13.269 1.00 2.13 N ATOM 0 H LYS A 80 -8.185 4.189 7.177 1.00 51.03 H new ATOM 0 HA LYS A 80 -5.292 4.056 7.657 1.00 24.43 H new ATOM 0 HB2 LYS A 80 -5.780 2.182 9.322 1.00 40.32 H new ATOM 0 HB3 LYS A 80 -6.049 3.819 9.889 1.00 40.32 H new ATOM 0 HG2 LYS A 80 -8.445 3.602 9.625 1.00 34.23 H new ATOM 0 HG3 LYS A 80 -8.274 2.073 8.785 1.00 34.23 H new ATOM 0 HD2 LYS A 80 -8.855 1.437 10.978 1.00 63.34 H new ATOM 0 HD3 LYS A 80 -7.119 1.203 10.928 1.00 63.34 H new ATOM 0 HE2 LYS A 80 -6.683 3.007 12.317 1.00 10.04 H new ATOM 0 HE3 LYS A 80 -8.091 3.904 11.785 1.00 10.04 H new ATOM 0 HZ1 LYS A 80 -8.354 3.122 14.048 1.00 2.13 H new ATOM 0 HZ2 LYS A 80 -9.503 2.380 13.041 1.00 2.13 H new ATOM 0 HZ3 LYS A 80 -8.138 1.511 13.557 1.00 2.13 H new ATOM 1204 N ILE A 81 -5.195 1.960 6.310 1.00 54.54 N ATOM 1205 CA ILE A 81 -5.138 0.852 5.365 1.00 33.31 C ATOM 1206 C ILE A 81 -4.698 -0.435 6.053 1.00 5.21 C ATOM 1207 O ILE A 81 -3.813 -0.424 6.908 1.00 35.13 O ATOM 1208 CB ILE A 81 -4.176 1.154 4.201 1.00 20.42 C ATOM 1209 CG1 ILE A 81 -4.592 2.441 3.487 1.00 74.32 C ATOM 1210 CG2 ILE A 81 -4.143 -0.013 3.225 1.00 3.23 C ATOM 1211 CD1 ILE A 81 -3.914 3.680 4.032 1.00 21.34 C ATOM 0 H ILE A 81 -4.285 2.340 6.569 1.00 54.54 H new ATOM 0 HA ILE A 81 -6.145 0.723 4.969 1.00 33.31 H new ATOM 0 HB ILE A 81 -3.173 1.293 4.605 1.00 20.42 H new ATOM 0 HG12 ILE A 81 -4.363 2.348 2.425 1.00 74.32 H new ATOM 0 HG13 ILE A 81 -5.672 2.561 3.571 1.00 74.32 H new ATOM 0 HG21 ILE A 81 -3.459 0.215 2.408 1.00 3.23 H new ATOM 0 HG22 ILE A 81 -3.804 -0.910 3.742 1.00 3.23 H new ATOM 0 HG23 ILE A 81 -5.143 -0.181 2.825 1.00 3.23 H new ATOM 0 HD11 ILE A 81 -4.256 4.555 3.479 1.00 21.34 H new ATOM 0 HD12 ILE A 81 -4.163 3.797 5.087 1.00 21.34 H new ATOM 0 HD13 ILE A 81 -2.834 3.581 3.923 1.00 21.34 H new ATOM 1222 N ASP A 82 -5.322 -1.545 5.673 1.00 2.11 N ATOM 1223 CA ASP A 82 -4.993 -2.843 6.251 1.00 2.14 C ATOM 1224 C ASP A 82 -4.636 -3.848 5.161 1.00 54.05 C ATOM 1225 O ASP A 82 -5.339 -3.970 4.158 1.00 54.42 O ATOM 1226 CB ASP A 82 -6.168 -3.368 7.080 1.00 73.43 C ATOM 1227 CG ASP A 82 -6.487 -2.474 8.263 1.00 35.55 C ATOM 1228 OD1 ASP A 82 -6.731 -1.268 8.045 1.00 2.01 O ATOM 1229 OD2 ASP A 82 -6.492 -2.978 9.405 1.00 64.53 O ATOM 0 H ASP A 82 -6.058 -1.572 4.967 1.00 2.11 H new ATOM 0 HA ASP A 82 -4.127 -2.715 6.901 1.00 2.14 H new ATOM 0 HB2 ASP A 82 -7.049 -3.452 6.444 1.00 73.43 H new ATOM 0 HB3 ASP A 82 -5.937 -4.371 7.438 1.00 73.43 H new ATOM 1233 N LEU A 83 -3.535 -4.566 5.364 1.00 11.15 N ATOM 1234 CA LEU A 83 -3.082 -5.561 4.398 1.00 34.35 C ATOM 1235 C LEU A 83 -3.016 -6.945 5.033 1.00 71.24 C ATOM 1236 O LEU A 83 -2.447 -7.119 6.112 1.00 63.41 O ATOM 1237 CB LEU A 83 -1.709 -5.174 3.845 1.00 31.41 C ATOM 1238 CG LEU A 83 -1.029 -6.212 2.951 1.00 52.34 C ATOM 1239 CD1 LEU A 83 -1.661 -6.222 1.569 1.00 52.04 C ATOM 1240 CD2 LEU A 83 0.465 -5.936 2.855 1.00 44.51 C ATOM 0 H LEU A 83 -2.941 -4.477 6.188 1.00 11.15 H new ATOM 0 HA LEU A 83 -3.801 -5.592 3.579 1.00 34.35 H new ATOM 0 HB2 LEU A 83 -1.815 -4.249 3.278 1.00 31.41 H new ATOM 0 HB3 LEU A 83 -1.049 -4.959 4.685 1.00 31.41 H new ATOM 0 HG LEU A 83 -1.168 -7.196 3.398 1.00 52.34 H new ATOM 0 HD11 LEU A 83 -1.164 -6.967 0.947 1.00 52.04 H new ATOM 0 HD12 LEU A 83 -2.719 -6.469 1.655 1.00 52.04 H new ATOM 0 HD13 LEU A 83 -1.553 -5.238 1.113 1.00 52.04 H new ATOM 0 HD21 LEU A 83 0.933 -6.684 2.215 1.00 44.51 H new ATOM 0 HD22 LEU A 83 0.625 -4.945 2.431 1.00 44.51 H new ATOM 0 HD23 LEU A 83 0.908 -5.981 3.850 1.00 44.51 H new ATOM 1251 N PHE A 84 -3.599 -7.929 4.357 1.00 21.14 N ATOM 1252 CA PHE A 84 -3.605 -9.300 4.854 1.00 25.00 C ATOM 1253 C PHE A 84 -3.119 -10.270 3.780 1.00 53.41 C ATOM 1254 O PHE A 84 -3.411 -10.120 2.594 1.00 22.33 O ATOM 1255 CB PHE A 84 -5.011 -9.692 5.312 1.00 2.32 C ATOM 1256 CG PHE A 84 -5.179 -9.683 6.805 1.00 45.41 C ATOM 1257 CD1 PHE A 84 -5.530 -8.519 7.469 1.00 42.35 C ATOM 1258 CD2 PHE A 84 -4.985 -10.839 7.544 1.00 24.33 C ATOM 1259 CE1 PHE A 84 -5.684 -8.508 8.843 1.00 20.34 C ATOM 1260 CE2 PHE A 84 -5.140 -10.835 8.917 1.00 50.03 C ATOM 1261 CZ PHE A 84 -5.488 -9.667 9.567 1.00 4.51 C ATOM 0 H PHE A 84 -4.074 -7.803 3.463 1.00 21.14 H new ATOM 0 HA PHE A 84 -2.924 -9.355 5.704 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -5.733 -9.006 4.869 1.00 2.32 H new ATOM 0 HB3 PHE A 84 -5.243 -10.688 4.934 1.00 2.32 H new ATOM 0 HD1 PHE A 84 -5.685 -7.610 6.907 1.00 42.35 H new ATOM 0 HD2 PHE A 84 -4.709 -11.754 7.041 1.00 24.33 H new ATOM 0 HE1 PHE A 84 -5.957 -7.594 9.349 1.00 20.34 H new ATOM 0 HE2 PHE A 84 -4.989 -11.744 9.481 1.00 50.03 H new ATOM 0 HZ PHE A 84 -5.607 -9.660 10.640 1.00 4.51 H new ATOM 1270 N PRO A 85 -2.359 -11.290 4.207 1.00 21.32 N ATOM 1271 CA PRO A 85 -1.816 -12.305 3.299 1.00 25.42 C ATOM 1272 C PRO A 85 -2.900 -13.219 2.736 1.00 55.43 C ATOM 1273 O PRO A 85 -4.041 -13.225 3.197 1.00 1.20 O ATOM 1274 CB PRO A 85 -0.856 -13.098 4.188 1.00 5.13 C ATOM 1275 CG PRO A 85 -1.378 -12.912 5.571 1.00 2.03 C ATOM 1276 CD PRO A 85 -1.972 -11.531 5.607 1.00 31.20 C ATOM 0 HA PRO A 85 -1.340 -11.859 2.426 1.00 25.42 H new ATOM 0 HB2 PRO A 85 -0.838 -14.152 3.910 1.00 5.13 H new ATOM 0 HB3 PRO A 85 0.165 -12.727 4.097 1.00 5.13 H new ATOM 0 HG2 PRO A 85 -2.128 -13.666 5.810 1.00 2.03 H new ATOM 0 HG3 PRO A 85 -0.580 -13.013 6.306 1.00 2.03 H new ATOM 0 HD2 PRO A 85 -2.831 -11.480 6.276 1.00 31.20 H new ATOM 0 HD3 PRO A 85 -1.251 -10.792 5.958 1.00 31.20 H new ATOM 1281 N PRO A 86 -2.536 -14.010 1.715 1.00 10.33 N ATOM 1282 CA PRO A 86 -3.464 -14.943 1.069 1.00 52.03 C ATOM 1283 C PRO A 86 -3.833 -16.114 1.973 1.00 51.02 C ATOM 1284 O PRO A 86 -3.052 -16.515 2.836 1.00 55.23 O ATOM 1285 CB PRO A 86 -2.679 -15.436 -0.150 1.00 15.33 C ATOM 1286 CG PRO A 86 -1.248 -15.268 0.228 1.00 61.00 C ATOM 1287 CD PRO A 86 -1.193 -14.054 1.114 1.00 1.42 C ATOM 0 HA PRO A 86 -4.412 -14.467 0.820 1.00 52.03 H new ATOM 0 HB2 PRO A 86 -2.910 -16.477 -0.375 1.00 15.33 H new ATOM 0 HB3 PRO A 86 -2.924 -14.856 -1.040 1.00 15.33 H new ATOM 0 HG2 PRO A 86 -0.876 -16.149 0.750 1.00 61.00 H new ATOM 0 HG3 PRO A 86 -0.624 -15.135 -0.656 1.00 61.00 H new ATOM 0 HD2 PRO A 86 -0.416 -14.145 1.873 1.00 1.42 H new ATOM 0 HD3 PRO A 86 -0.978 -13.150 0.544 1.00 1.42 H new ATOM 1292 N VAL A 87 -5.027 -16.660 1.769 1.00 72.23 N ATOM 1293 CA VAL A 87 -5.499 -17.787 2.565 1.00 54.24 C ATOM 1294 C VAL A 87 -4.471 -18.913 2.587 1.00 23.13 C ATOM 1295 O VAL A 87 -4.375 -19.660 3.559 1.00 45.43 O ATOM 1296 CB VAL A 87 -6.834 -18.334 2.028 1.00 25.55 C ATOM 1297 CG1 VAL A 87 -7.975 -17.388 2.367 1.00 30.53 C ATOM 1298 CG2 VAL A 87 -6.749 -18.564 0.526 1.00 60.32 C ATOM 0 H VAL A 87 -5.686 -16.340 1.059 1.00 72.23 H new ATOM 0 HA VAL A 87 -5.650 -17.417 3.579 1.00 54.24 H new ATOM 0 HB VAL A 87 -7.034 -19.291 2.509 1.00 25.55 H new ATOM 0 HG11 VAL A 87 -8.910 -17.792 1.979 1.00 30.53 H new ATOM 0 HG12 VAL A 87 -8.048 -17.279 3.449 1.00 30.53 H new ATOM 0 HG13 VAL A 87 -7.786 -16.414 1.916 1.00 30.53 H new ATOM 0 HG21 VAL A 87 -7.701 -18.951 0.163 1.00 60.32 H new ATOM 0 HG22 VAL A 87 -6.525 -17.622 0.026 1.00 60.32 H new ATOM 0 HG23 VAL A 87 -5.959 -19.284 0.312 1.00 60.32 H new ATOM 1308 N ALA A 88 -3.705 -19.029 1.506 1.00 11.51 N ATOM 1309 CA ALA A 88 -2.684 -20.062 1.402 1.00 73.42 C ATOM 1310 C ALA A 88 -1.360 -19.588 1.994 1.00 11.03 C ATOM 1311 O ALA A 88 -0.899 -20.111 3.007 1.00 4.50 O ATOM 1312 CB ALA A 88 -2.496 -20.474 -0.051 1.00 43.22 C ATOM 0 H ALA A 88 -3.773 -18.420 0.691 1.00 11.51 H new ATOM 0 HA ALA A 88 -3.019 -20.927 1.974 1.00 73.42 H new ATOM 0 HB1 ALA A 88 -1.730 -21.247 -0.114 1.00 43.22 H new ATOM 0 HB2 ALA A 88 -3.436 -20.862 -0.444 1.00 43.22 H new ATOM 0 HB3 ALA A 88 -2.187 -19.609 -0.638 1.00 43.22 H new