USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 584 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 53 LYS NZ :NH3+ 172:sc= -0.221 (180deg=-0.16) USER MOD Set 1.2: A 55 TYR OH : rot 30:sc= -0.238 USER MOD Set 2.1: A 47 LYS NZ :NH3+ -135:sc= 0.384 (180deg=-2.55!) USER MOD Set 2.2: A 49 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.0536 (180deg=-0.0791) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0316 USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= -0.0423 (180deg=-0.327) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot -163:sc= 0.0425 USER MOD Single : A 16 GLN : amide:sc= -2.29! K(o=-2.3!,f=-0.54) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0117 USER MOD Single : A 24 THR OG1 : rot 112:sc= 0.0314 USER MOD Single : A 25 MET CE :methyl -162:sc= -1.93 (180deg=-3.03!) USER MOD Single : A 26 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.0852) USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0474) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -4.6! C(o=-4.6!,f=-11!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -151:sc= 0.31 (180deg=-0.547) USER MOD Single : A 51 ASN : amide:sc= -0.0441 X(o=-0.044,f=-0.38) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 58 GLN : amide:sc= -5.02! C(o=-5!,f=-2.6!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 149:sc= -0.274 (180deg=-1.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.965 3.737 -7.026 1.00 0.00 N ATOM 2 CA MET A 1 5.866 2.344 -6.607 1.00 0.00 C ATOM 3 C MET A 1 5.120 1.515 -7.648 1.00 0.00 C ATOM 4 O MET A 1 4.332 2.047 -8.430 1.00 0.00 O ATOM 5 CB MET A 1 5.158 2.244 -5.255 1.00 0.00 C ATOM 6 CG MET A 1 6.004 2.726 -4.088 1.00 0.00 C ATOM 7 SD MET A 1 7.376 1.616 -3.721 1.00 0.00 S ATOM 8 CE MET A 1 7.781 2.119 -2.050 1.00 0.00 C ATOM 0 H1 MET A 1 6.955 3.962 -7.252 1.00 0.00 H new ATOM 0 H2 MET A 1 5.374 3.889 -7.868 1.00 0.00 H new ATOM 0 H3 MET A 1 5.637 4.355 -6.257 1.00 0.00 H new ATOM 0 HA MET A 1 6.877 1.948 -6.509 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.238 2.828 -5.292 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.870 1.207 -5.081 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.395 3.718 -4.313 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.374 2.824 -3.204 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.615 1.521 -1.682 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.060 3.173 -2.045 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.915 1.969 -1.405 1.00 0.00 H new ATOM 18 N ASP A 2 5.373 0.211 -7.652 1.00 0.00 N ATOM 19 CA ASP A 2 4.725 -0.691 -8.596 1.00 0.00 C ATOM 20 C ASP A 2 3.972 -1.797 -7.862 1.00 0.00 C ATOM 21 O ASP A 2 4.011 -2.959 -8.264 1.00 0.00 O ATOM 22 CB ASP A 2 5.759 -1.303 -9.543 1.00 0.00 C ATOM 23 CG ASP A 2 7.010 -1.758 -8.817 1.00 0.00 C ATOM 24 OD1 ASP A 2 7.023 -2.903 -8.319 1.00 0.00 O ATOM 25 OD2 ASP A 2 7.976 -0.969 -8.749 1.00 0.00 O ATOM 0 H ASP A 2 6.023 -0.245 -7.012 1.00 0.00 H new ATOM 0 HA ASP A 2 4.008 -0.113 -9.179 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.314 -2.152 -10.062 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.030 -0.570 -10.303 1.00 0.00 H new ATOM 30 N GLU A 3 3.289 -1.425 -6.784 1.00 0.00 N ATOM 31 CA GLU A 3 2.530 -2.387 -5.993 1.00 0.00 C ATOM 32 C GLU A 3 1.475 -3.082 -6.849 1.00 0.00 C ATOM 33 O GLU A 3 1.610 -4.259 -7.188 1.00 0.00 O ATOM 34 CB GLU A 3 1.861 -1.690 -4.807 1.00 0.00 C ATOM 35 CG GLU A 3 2.842 -1.213 -3.749 1.00 0.00 C ATOM 36 CD GLU A 3 3.638 -2.350 -3.137 1.00 0.00 C ATOM 37 OE1 GLU A 3 3.030 -3.194 -2.447 1.00 0.00 O ATOM 38 OE2 GLU A 3 4.868 -2.394 -3.348 1.00 0.00 O ATOM 0 H GLU A 3 3.246 -0.466 -6.439 1.00 0.00 H new ATOM 0 HA GLU A 3 3.224 -3.140 -5.619 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.290 -0.836 -5.173 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.149 -2.376 -4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.528 -0.492 -4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.297 -0.691 -2.962 1.00 0.00 H new ATOM 45 N THR A 4 0.423 -2.347 -7.196 1.00 0.00 N ATOM 46 CA THR A 4 -0.656 -2.892 -8.010 1.00 0.00 C ATOM 47 C THR A 4 -0.601 -2.346 -9.432 1.00 0.00 C ATOM 48 O THR A 4 -0.903 -3.054 -10.391 1.00 0.00 O ATOM 49 CB THR A 4 -2.035 -2.572 -7.402 1.00 0.00 C ATOM 50 OG1 THR A 4 -2.232 -1.155 -7.353 1.00 0.00 O ATOM 51 CG2 THR A 4 -2.157 -3.155 -6.002 1.00 0.00 C ATOM 0 H THR A 4 0.296 -1.372 -6.926 1.00 0.00 H new ATOM 0 HA THR A 4 -0.520 -3.973 -8.033 1.00 0.00 H new ATOM 0 HB THR A 4 -2.800 -3.023 -8.034 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.111 -0.960 -6.967 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.139 -2.916 -5.593 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.036 -4.237 -6.047 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.384 -2.729 -5.362 1.00 0.00 H new ATOM 59 N GLY A 5 -0.214 -1.080 -9.561 1.00 0.00 N ATOM 60 CA GLY A 5 -0.126 -0.461 -10.870 1.00 0.00 C ATOM 61 C GLY A 5 -1.487 -0.240 -11.500 1.00 0.00 C ATOM 62 O GLY A 5 -1.754 -0.716 -12.603 1.00 0.00 O ATOM 0 H GLY A 5 0.040 -0.473 -8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 5 0.390 0.495 -10.782 1.00 0.00 H new ATOM 0 HA3 GLY A 5 0.477 -1.089 -11.526 1.00 0.00 H new ATOM 66 N LYS A 6 -2.352 0.483 -10.796 1.00 0.00 N ATOM 67 CA LYS A 6 -3.694 0.766 -11.291 1.00 0.00 C ATOM 68 C LYS A 6 -3.933 2.270 -11.383 1.00 0.00 C ATOM 69 O LYS A 6 -4.098 2.815 -12.474 1.00 0.00 O ATOM 70 CB LYS A 6 -4.742 0.127 -10.378 1.00 0.00 C ATOM 71 CG LYS A 6 -4.437 -1.316 -10.018 1.00 0.00 C ATOM 72 CD LYS A 6 -4.433 -2.209 -11.248 1.00 0.00 C ATOM 73 CE LYS A 6 -4.329 -3.678 -10.870 1.00 0.00 C ATOM 74 NZ LYS A 6 -5.534 -4.148 -10.132 1.00 0.00 N ATOM 0 H LYS A 6 -2.147 0.884 -9.881 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.784 0.339 -12.290 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.819 0.713 -9.462 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.715 0.173 -10.868 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.467 -1.371 -9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.178 -1.679 -9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.345 -2.044 -11.822 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.597 -1.938 -11.893 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.199 -4.277 -11.772 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.443 -3.833 -10.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.556 -5.188 -10.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.499 -3.800 -9.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.390 -3.785 -10.598 1.00 0.00 H new ATOM 88 N GLU A 7 -3.950 2.934 -10.231 1.00 0.00 N ATOM 89 CA GLU A 7 -4.168 4.375 -10.184 1.00 0.00 C ATOM 90 C GLU A 7 -3.459 4.994 -8.983 1.00 0.00 C ATOM 91 O GLU A 7 -3.867 4.796 -7.837 1.00 0.00 O ATOM 92 CB GLU A 7 -5.666 4.684 -10.121 1.00 0.00 C ATOM 93 CG GLU A 7 -6.003 6.130 -10.444 1.00 0.00 C ATOM 94 CD GLU A 7 -6.150 6.377 -11.933 1.00 0.00 C ATOM 95 OE1 GLU A 7 -7.030 5.745 -12.555 1.00 0.00 O ATOM 96 OE2 GLU A 7 -5.386 7.202 -12.475 1.00 0.00 O ATOM 0 H GLU A 7 -3.816 2.497 -9.319 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.752 4.810 -11.093 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.192 4.032 -10.818 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.036 4.448 -9.123 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.930 6.404 -9.941 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.222 6.778 -10.047 1.00 0.00 H new ATOM 103 N LEU A 8 -2.395 5.742 -9.252 1.00 0.00 N ATOM 104 CA LEU A 8 -1.628 6.390 -8.194 1.00 0.00 C ATOM 105 C LEU A 8 -1.815 7.903 -8.234 1.00 0.00 C ATOM 106 O LEU A 8 -1.983 8.490 -9.303 1.00 0.00 O ATOM 107 CB LEU A 8 -0.144 6.044 -8.329 1.00 0.00 C ATOM 108 CG LEU A 8 0.644 5.948 -7.022 1.00 0.00 C ATOM 109 CD1 LEU A 8 0.051 4.879 -6.118 1.00 0.00 C ATOM 110 CD2 LEU A 8 2.111 5.656 -7.305 1.00 0.00 C ATOM 0 H LEU A 8 -2.044 5.915 -10.194 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.995 6.023 -7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.060 5.091 -8.852 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.328 6.797 -8.960 1.00 0.00 H new ATOM 0 HG LEU A 8 0.577 6.907 -6.508 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.625 4.825 -5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.985 5.130 -5.888 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.087 3.914 -6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.657 5.591 -6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.197 4.711 -7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.531 6.457 -7.913 1.00 0.00 H new ATOM 122 N VAL A 9 -1.782 8.529 -7.062 1.00 0.00 N ATOM 123 CA VAL A 9 -1.945 9.975 -6.963 1.00 0.00 C ATOM 124 C VAL A 9 -0.878 10.588 -6.063 1.00 0.00 C ATOM 125 O VAL A 9 -0.493 10.001 -5.051 1.00 0.00 O ATOM 126 CB VAL A 9 -3.337 10.347 -6.419 1.00 0.00 C ATOM 127 CG1 VAL A 9 -4.409 10.078 -7.464 1.00 0.00 C ATOM 128 CG2 VAL A 9 -3.628 9.584 -5.135 1.00 0.00 C ATOM 0 H VAL A 9 -1.644 8.058 -6.168 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.839 10.375 -7.971 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.346 11.413 -6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.385 10.347 -7.061 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.207 10.674 -8.354 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.404 9.020 -7.727 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.615 9.859 -4.764 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.600 8.513 -5.334 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.877 9.833 -4.386 1.00 0.00 H new ATOM 138 N LEU A 10 -0.405 11.771 -6.437 1.00 0.00 N ATOM 139 CA LEU A 10 0.618 12.465 -5.663 1.00 0.00 C ATOM 140 C LEU A 10 0.052 13.728 -5.021 1.00 0.00 C ATOM 141 O LEU A 10 -0.536 14.571 -5.699 1.00 0.00 O ATOM 142 CB LEU A 10 1.807 12.822 -6.556 1.00 0.00 C ATOM 143 CG LEU A 10 3.174 12.860 -5.871 1.00 0.00 C ATOM 144 CD1 LEU A 10 4.287 12.662 -6.888 1.00 0.00 C ATOM 145 CD2 LEU A 10 3.360 14.173 -5.124 1.00 0.00 C ATOM 0 H LEU A 10 -0.713 12.270 -7.271 1.00 0.00 H new ATOM 0 HA LEU A 10 0.955 11.796 -4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.852 12.101 -7.372 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.620 13.798 -7.003 1.00 0.00 H new ATOM 0 HG LEU A 10 3.220 12.044 -5.149 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.252 12.692 -6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.164 11.696 -7.378 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.244 13.456 -7.634 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.338 14.182 -4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.293 15.004 -5.826 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.582 14.274 -4.367 1.00 0.00 H new ATOM 157 N ALA A 11 0.236 13.854 -3.711 1.00 0.00 N ATOM 158 CA ALA A 11 -0.253 15.016 -2.979 1.00 0.00 C ATOM 159 C ALA A 11 0.451 16.289 -3.437 1.00 0.00 C ATOM 160 O ALA A 11 1.666 16.299 -3.641 1.00 0.00 O ATOM 161 CB ALA A 11 -0.064 14.815 -1.483 1.00 0.00 C ATOM 0 H ALA A 11 0.720 13.166 -3.135 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.317 15.125 -3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.433 15.690 -0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.618 13.933 -1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.995 14.677 -1.265 1.00 0.00 H new ATOM 167 N LEU A 12 -0.318 17.360 -3.597 1.00 0.00 N ATOM 168 CA LEU A 12 0.232 18.639 -4.031 1.00 0.00 C ATOM 169 C LEU A 12 0.344 19.610 -2.860 1.00 0.00 C ATOM 170 O LEU A 12 1.237 20.457 -2.826 1.00 0.00 O ATOM 171 CB LEU A 12 -0.642 19.246 -5.130 1.00 0.00 C ATOM 172 CG LEU A 12 -0.822 18.397 -6.389 1.00 0.00 C ATOM 173 CD1 LEU A 12 -1.691 19.125 -7.404 1.00 0.00 C ATOM 174 CD2 LEU A 12 0.529 18.048 -6.995 1.00 0.00 C ATOM 0 H LEU A 12 -1.325 17.368 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 12 1.232 18.460 -4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.627 19.452 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.212 20.205 -5.421 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.323 17.470 -6.110 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.808 18.506 -8.293 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.670 19.324 -6.969 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.218 20.068 -7.678 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.381 17.444 -7.890 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.057 18.964 -7.259 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.118 17.486 -6.271 1.00 0.00 H new ATOM 186 N TYR A 13 -0.567 19.479 -1.902 1.00 0.00 N ATOM 187 CA TYR A 13 -0.571 20.345 -0.729 1.00 0.00 C ATOM 188 C TYR A 13 -0.604 19.522 0.556 1.00 0.00 C ATOM 189 O TYR A 13 -0.859 18.318 0.528 1.00 0.00 O ATOM 190 CB TYR A 13 -1.771 21.292 -0.772 1.00 0.00 C ATOM 191 CG TYR A 13 -1.764 22.225 -1.962 1.00 0.00 C ATOM 192 CD1 TYR A 13 -2.081 21.764 -3.233 1.00 0.00 C ATOM 193 CD2 TYR A 13 -1.441 23.568 -1.814 1.00 0.00 C ATOM 194 CE1 TYR A 13 -2.075 22.612 -4.323 1.00 0.00 C ATOM 195 CE2 TYR A 13 -1.434 24.425 -2.898 1.00 0.00 C ATOM 196 CZ TYR A 13 -1.751 23.942 -4.150 1.00 0.00 C ATOM 197 OH TYR A 13 -1.745 24.791 -5.233 1.00 0.00 O ATOM 0 H TYR A 13 -1.312 18.782 -1.915 1.00 0.00 H new ATOM 0 HA TYR A 13 0.347 20.932 -0.740 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.688 20.703 -0.788 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.789 21.884 0.143 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.337 20.724 -3.372 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.191 23.949 -0.835 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.322 22.236 -5.305 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.182 25.467 -2.765 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.497 25.693 -4.940 1.00 0.00 H new ATOM 207 N ASP A 14 -0.345 20.181 1.680 1.00 0.00 N ATOM 208 CA ASP A 14 -0.346 19.513 2.976 1.00 0.00 C ATOM 209 C ASP A 14 -1.759 19.437 3.546 1.00 0.00 C ATOM 210 O ASP A 14 -2.464 20.444 3.622 1.00 0.00 O ATOM 211 CB ASP A 14 0.573 20.247 3.953 1.00 0.00 C ATOM 212 CG ASP A 14 0.187 21.702 4.129 1.00 0.00 C ATOM 213 OD1 ASP A 14 0.244 22.456 3.135 1.00 0.00 O ATOM 214 OD2 ASP A 14 -0.173 22.087 5.261 1.00 0.00 O ATOM 0 H ASP A 14 -0.132 21.178 1.720 1.00 0.00 H new ATOM 0 HA ASP A 14 0.025 18.498 2.835 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.543 19.747 4.921 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.601 20.188 3.595 1.00 0.00 H new ATOM 219 N TYR A 15 -2.166 18.238 3.945 1.00 0.00 N ATOM 220 CA TYR A 15 -3.496 18.029 4.506 1.00 0.00 C ATOM 221 C TYR A 15 -3.419 17.262 5.822 1.00 0.00 C ATOM 222 O TYR A 15 -2.594 16.362 5.980 1.00 0.00 O ATOM 223 CB TYR A 15 -4.379 17.272 3.513 1.00 0.00 C ATOM 224 CG TYR A 15 -5.843 17.262 3.889 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.621 18.406 3.762 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.449 16.107 4.370 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.959 18.401 4.105 1.00 0.00 C ATOM 228 CE2 TYR A 15 -7.786 16.093 4.714 1.00 0.00 C ATOM 229 CZ TYR A 15 -8.537 17.242 4.581 1.00 0.00 C ATOM 230 OH TYR A 15 -9.870 17.233 4.922 1.00 0.00 O ATOM 0 H TYR A 15 -1.594 17.395 3.891 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.936 19.007 4.702 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.269 17.722 2.526 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.025 16.244 3.436 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.172 19.315 3.389 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.864 15.205 4.476 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.550 19.299 4.001 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.241 15.187 5.085 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.060 16.450 5.480 1.00 0.00 H new ATOM 240 N GLN A 16 -4.284 17.626 6.763 1.00 0.00 N ATOM 241 CA GLN A 16 -4.314 16.972 8.067 1.00 0.00 C ATOM 242 C GLN A 16 -5.593 16.160 8.239 1.00 0.00 C ATOM 243 O GLN A 16 -6.662 16.566 7.784 1.00 0.00 O ATOM 244 CB GLN A 16 -4.200 18.010 9.184 1.00 0.00 C ATOM 245 CG GLN A 16 -5.338 19.018 9.197 1.00 0.00 C ATOM 246 CD GLN A 16 -5.121 20.156 8.219 1.00 0.00 C ATOM 247 OE1 GLN A 16 -4.286 21.032 8.445 1.00 0.00 O ATOM 248 NE2 GLN A 16 -5.873 20.148 7.125 1.00 0.00 N ATOM 0 H GLN A 16 -4.973 18.369 6.648 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.464 16.292 8.125 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.170 17.496 10.145 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.255 18.543 9.078 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.271 18.510 8.956 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.447 19.424 10.203 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.553 19.402 6.979 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.771 20.888 6.431 1.00 0.00 H new ATOM 257 N GLU A 17 -5.476 15.012 8.899 1.00 0.00 N ATOM 258 CA GLU A 17 -6.624 14.144 9.130 1.00 0.00 C ATOM 259 C GLU A 17 -7.247 14.417 10.496 1.00 0.00 C ATOM 260 O GLU A 17 -6.546 14.518 11.503 1.00 0.00 O ATOM 261 CB GLU A 17 -6.208 12.675 9.033 1.00 0.00 C ATOM 262 CG GLU A 17 -5.382 12.196 10.215 1.00 0.00 C ATOM 263 CD GLU A 17 -4.789 10.818 9.992 1.00 0.00 C ATOM 264 OE1 GLU A 17 -5.496 9.948 9.443 1.00 0.00 O ATOM 265 OE2 GLU A 17 -3.615 10.611 10.367 1.00 0.00 O ATOM 0 H GLU A 17 -4.598 14.662 9.283 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.367 14.356 8.362 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.103 12.058 8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.635 12.528 8.117 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.578 12.907 10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.008 12.178 11.107 1.00 0.00 H new ATOM 272 N LYS A 18 -8.570 14.538 10.523 1.00 0.00 N ATOM 273 CA LYS A 18 -9.290 14.799 11.763 1.00 0.00 C ATOM 274 C LYS A 18 -10.094 13.576 12.194 1.00 0.00 C ATOM 275 O LYS A 18 -10.102 13.210 13.369 1.00 0.00 O ATOM 276 CB LYS A 18 -10.223 16.001 11.592 1.00 0.00 C ATOM 277 CG LYS A 18 -11.038 16.320 12.834 1.00 0.00 C ATOM 278 CD LYS A 18 -12.376 15.601 12.821 1.00 0.00 C ATOM 279 CE LYS A 18 -13.451 16.413 13.528 1.00 0.00 C ATOM 280 NZ LYS A 18 -13.209 16.498 14.994 1.00 0.00 N ATOM 0 H LYS A 18 -9.166 14.459 9.699 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.557 15.022 12.539 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.630 16.875 11.322 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -10.902 15.808 10.762 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.477 16.031 13.723 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.202 17.396 12.896 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.679 15.412 11.791 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.274 14.630 13.306 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.483 17.418 13.107 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.426 15.960 13.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.963 17.059 15.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.204 15.541 15.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.290 16.953 15.168 1.00 0.00 H new ATOM 294 N SER A 19 -10.767 12.948 11.235 1.00 0.00 N ATOM 295 CA SER A 19 -11.575 11.768 11.516 1.00 0.00 C ATOM 296 C SER A 19 -10.773 10.491 11.280 1.00 0.00 C ATOM 297 O SER A 19 -9.755 10.487 10.589 1.00 0.00 O ATOM 298 CB SER A 19 -12.831 11.764 10.643 1.00 0.00 C ATOM 299 OG SER A 19 -13.013 13.016 10.005 1.00 0.00 O ATOM 0 H SER A 19 -10.768 13.237 10.257 1.00 0.00 H new ATOM 0 HA SER A 19 -11.870 11.802 12.565 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.753 10.978 9.892 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.703 11.534 11.256 1.00 0.00 H new ATOM 0 HG SER A 19 -13.821 12.987 9.452 1.00 0.00 H new ATOM 305 N PRO A 20 -11.243 9.381 11.868 1.00 0.00 N ATOM 306 CA PRO A 20 -10.587 8.077 11.736 1.00 0.00 C ATOM 307 C PRO A 20 -10.713 7.504 10.329 1.00 0.00 C ATOM 308 O PRO A 20 -10.004 6.566 9.965 1.00 0.00 O ATOM 309 CB PRO A 20 -11.336 7.199 12.741 1.00 0.00 C ATOM 310 CG PRO A 20 -12.677 7.836 12.874 1.00 0.00 C ATOM 311 CD PRO A 20 -12.452 9.313 12.706 1.00 0.00 C ATOM 0 HA PRO A 20 -9.515 8.140 11.921 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.419 6.172 12.385 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.818 7.163 13.699 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.365 7.458 12.118 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -13.119 7.617 13.846 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.302 9.797 12.225 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.304 9.809 13.665 1.00 0.00 H new ATOM 319 N ARG A 21 -11.621 8.073 9.543 1.00 0.00 N ATOM 320 CA ARG A 21 -11.841 7.617 8.175 1.00 0.00 C ATOM 321 C ARG A 21 -10.920 8.349 7.204 1.00 0.00 C ATOM 322 O ARG A 21 -10.583 7.828 6.141 1.00 0.00 O ATOM 323 CB ARG A 21 -13.300 7.833 7.772 1.00 0.00 C ATOM 324 CG ARG A 21 -14.196 6.641 8.068 1.00 0.00 C ATOM 325 CD ARG A 21 -15.667 7.002 7.927 1.00 0.00 C ATOM 326 NE ARG A 21 -16.033 8.145 8.758 1.00 0.00 N ATOM 327 CZ ARG A 21 -16.168 8.080 10.078 1.00 0.00 C ATOM 328 NH1 ARG A 21 -15.967 6.934 10.713 1.00 0.00 N ATOM 329 NH2 ARG A 21 -16.503 9.164 10.766 1.00 0.00 N ATOM 0 H ARG A 21 -12.216 8.850 9.829 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.613 6.552 8.132 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.687 8.707 8.296 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.345 8.055 6.706 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.954 5.824 7.388 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -14.004 6.282 9.079 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.886 7.228 6.883 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.279 6.143 8.203 1.00 0.00 H new ATOM 0 HE ARG A 21 -16.194 9.042 8.300 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.708 6.099 10.188 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.071 6.887 11.727 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.657 10.048 10.281 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.606 9.113 11.779 1.00 0.00 H new ATOM 343 N GLU A 22 -10.517 9.560 7.576 1.00 0.00 N ATOM 344 CA GLU A 22 -9.637 10.364 6.736 1.00 0.00 C ATOM 345 C GLU A 22 -8.174 9.999 6.976 1.00 0.00 C ATOM 346 O GLU A 22 -7.826 9.434 8.012 1.00 0.00 O ATOM 347 CB GLU A 22 -9.854 11.854 7.009 1.00 0.00 C ATOM 348 CG GLU A 22 -11.259 12.333 6.686 1.00 0.00 C ATOM 349 CD GLU A 22 -11.331 13.835 6.488 1.00 0.00 C ATOM 350 OE1 GLU A 22 -10.296 14.509 6.668 1.00 0.00 O ATOM 351 OE2 GLU A 22 -12.425 14.336 6.151 1.00 0.00 O ATOM 0 H GLU A 22 -10.786 10.006 8.453 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.880 10.155 5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.642 12.057 8.059 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.139 12.430 6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.611 11.834 5.783 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.932 12.044 7.493 1.00 0.00 H new ATOM 358 N VAL A 23 -7.323 10.327 6.009 1.00 0.00 N ATOM 359 CA VAL A 23 -5.898 10.035 6.115 1.00 0.00 C ATOM 360 C VAL A 23 -5.062 11.292 5.897 1.00 0.00 C ATOM 361 O VAL A 23 -5.484 12.220 5.205 1.00 0.00 O ATOM 362 CB VAL A 23 -5.468 8.963 5.096 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.927 7.584 5.546 1.00 0.00 C ATOM 364 CG2 VAL A 23 -6.014 9.291 3.715 1.00 0.00 C ATOM 0 H VAL A 23 -7.595 10.795 5.144 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.726 9.658 7.123 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.380 8.957 5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.614 6.840 4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.483 7.350 6.514 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.013 7.573 5.634 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.700 8.523 3.008 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.103 9.326 3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.631 10.259 3.393 1.00 0.00 H new ATOM 374 N THR A 24 -3.873 11.316 6.492 1.00 0.00 N ATOM 375 CA THR A 24 -2.978 12.458 6.364 1.00 0.00 C ATOM 376 C THR A 24 -2.121 12.347 5.107 1.00 0.00 C ATOM 377 O THR A 24 -1.601 11.278 4.792 1.00 0.00 O ATOM 378 CB THR A 24 -2.055 12.589 7.590 1.00 0.00 C ATOM 379 OG1 THR A 24 -2.834 12.579 8.792 1.00 0.00 O ATOM 380 CG2 THR A 24 -1.239 13.871 7.519 1.00 0.00 C ATOM 0 H THR A 24 -3.508 10.557 7.067 1.00 0.00 H new ATOM 0 HA THR A 24 -3.607 13.346 6.295 1.00 0.00 H new ATOM 0 HB THR A 24 -1.370 11.741 7.594 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.660 11.752 9.288 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.595 13.941 8.396 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.626 13.863 6.618 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.911 14.729 7.493 1.00 0.00 H new ATOM 388 N MET A 25 -1.979 13.460 4.394 1.00 0.00 N ATOM 389 CA MET A 25 -1.183 13.487 3.172 1.00 0.00 C ATOM 390 C MET A 25 -0.456 14.820 3.027 1.00 0.00 C ATOM 391 O MET A 25 -1.078 15.883 3.039 1.00 0.00 O ATOM 392 CB MET A 25 -2.074 13.242 1.953 1.00 0.00 C ATOM 393 CG MET A 25 -3.295 14.146 1.900 1.00 0.00 C ATOM 394 SD MET A 25 -4.295 13.878 0.424 1.00 0.00 S ATOM 395 CE MET A 25 -5.059 15.487 0.237 1.00 0.00 C ATOM 0 H MET A 25 -2.404 14.354 4.641 1.00 0.00 H new ATOM 0 HA MET A 25 -0.439 12.693 3.234 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.485 13.388 1.048 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.402 12.202 1.956 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.908 13.975 2.785 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.973 15.187 1.932 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.929 15.403 -0.414 1.00 0.00 H new ATOM 0 HE2 MET A 25 -5.371 15.857 1.214 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.343 16.181 -0.202 1.00 0.00 H new ATOM 405 N LYS A 26 0.864 14.757 2.889 1.00 0.00 N ATOM 406 CA LYS A 26 1.677 15.958 2.740 1.00 0.00 C ATOM 407 C LYS A 26 2.089 16.159 1.285 1.00 0.00 C ATOM 408 O LYS A 26 2.279 15.195 0.544 1.00 0.00 O ATOM 409 CB LYS A 26 2.921 15.870 3.626 1.00 0.00 C ATOM 410 CG LYS A 26 3.959 16.938 3.326 1.00 0.00 C ATOM 411 CD LYS A 26 3.445 18.326 3.669 1.00 0.00 C ATOM 412 CE LYS A 26 3.620 18.636 5.148 1.00 0.00 C ATOM 413 NZ LYS A 26 3.831 20.090 5.389 1.00 0.00 N ATOM 0 H LYS A 26 1.394 13.886 2.877 1.00 0.00 H new ATOM 0 HA LYS A 26 1.077 16.813 3.051 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.619 15.952 4.670 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.376 14.888 3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.867 16.734 3.894 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.228 16.899 2.270 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.977 19.069 3.075 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.391 18.401 3.403 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.739 18.301 5.696 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.470 18.076 5.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.803 20.249 5.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.680 20.614 4.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.158 20.424 6.108 1.00 0.00 H new ATOM 427 N LYS A 27 2.227 17.418 0.883 1.00 0.00 N ATOM 428 CA LYS A 27 2.620 17.746 -0.482 1.00 0.00 C ATOM 429 C LYS A 27 3.850 16.946 -0.902 1.00 0.00 C ATOM 430 O LYS A 27 4.965 17.230 -0.467 1.00 0.00 O ATOM 431 CB LYS A 27 2.907 19.244 -0.606 1.00 0.00 C ATOM 432 CG LYS A 27 3.801 19.786 0.496 1.00 0.00 C ATOM 433 CD LYS A 27 3.059 20.775 1.380 1.00 0.00 C ATOM 434 CE LYS A 27 2.811 22.090 0.657 1.00 0.00 C ATOM 435 NZ LYS A 27 4.055 22.900 0.537 1.00 0.00 N ATOM 0 H LYS A 27 2.072 18.228 1.483 1.00 0.00 H new ATOM 0 HA LYS A 27 1.794 17.484 -1.144 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.376 19.437 -1.571 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.963 19.788 -0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.172 18.961 1.104 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.670 20.273 0.054 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.107 20.344 1.691 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.636 20.960 2.286 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.412 21.888 -0.337 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.055 22.663 1.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.824 23.836 0.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.487 23.014 1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.724 22.417 -0.096 1.00 0.00 H new ATOM 449 N GLY A 28 3.638 15.946 -1.752 1.00 0.00 N ATOM 450 CA GLY A 28 4.738 15.122 -2.217 1.00 0.00 C ATOM 451 C GLY A 28 4.524 13.650 -1.925 1.00 0.00 C ATOM 452 O GLY A 28 5.240 12.796 -2.447 1.00 0.00 O ATOM 0 H GLY A 28 2.724 15.692 -2.127 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.864 15.262 -3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.662 15.453 -1.742 1.00 0.00 H new ATOM 456 N ASP A 29 3.538 13.353 -1.086 1.00 0.00 N ATOM 457 CA ASP A 29 3.232 11.974 -0.724 1.00 0.00 C ATOM 458 C ASP A 29 2.595 11.232 -1.895 1.00 0.00 C ATOM 459 O ASP A 29 2.208 11.843 -2.892 1.00 0.00 O ATOM 460 CB ASP A 29 2.298 11.937 0.487 1.00 0.00 C ATOM 461 CG ASP A 29 2.459 10.671 1.305 1.00 0.00 C ATOM 462 OD1 ASP A 29 3.608 10.342 1.670 1.00 0.00 O ATOM 463 OD2 ASP A 29 1.437 10.009 1.580 1.00 0.00 O ATOM 0 H ASP A 29 2.937 14.048 -0.644 1.00 0.00 H new ATOM 0 HA ASP A 29 4.167 11.477 -0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.494 12.802 1.120 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.265 12.018 0.148 1.00 0.00 H new ATOM 468 N ILE A 30 2.493 9.914 -1.769 1.00 0.00 N ATOM 469 CA ILE A 30 1.904 9.090 -2.817 1.00 0.00 C ATOM 470 C ILE A 30 0.903 8.096 -2.238 1.00 0.00 C ATOM 471 O ILE A 30 1.237 7.303 -1.357 1.00 0.00 O ATOM 472 CB ILE A 30 2.982 8.318 -3.599 1.00 0.00 C ATOM 473 CG1 ILE A 30 3.976 9.292 -4.236 1.00 0.00 C ATOM 474 CG2 ILE A 30 2.339 7.439 -4.661 1.00 0.00 C ATOM 475 CD1 ILE A 30 5.175 8.610 -4.858 1.00 0.00 C ATOM 0 H ILE A 30 2.811 9.393 -0.951 1.00 0.00 H new ATOM 0 HA ILE A 30 1.388 9.767 -3.497 1.00 0.00 H new ATOM 0 HB ILE A 30 3.524 7.677 -2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.462 9.875 -5.001 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.321 9.995 -3.478 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.114 6.900 -5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.667 6.725 -4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.774 8.061 -5.355 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.837 9.361 -5.290 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.712 8.050 -4.093 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.841 7.928 -5.640 1.00 0.00 H new ATOM 487 N LEU A 31 -0.327 8.143 -2.739 1.00 0.00 N ATOM 488 CA LEU A 31 -1.378 7.245 -2.274 1.00 0.00 C ATOM 489 C LEU A 31 -1.980 6.463 -3.436 1.00 0.00 C ATOM 490 O LEU A 31 -1.830 6.841 -4.598 1.00 0.00 O ATOM 491 CB LEU A 31 -2.472 8.037 -1.556 1.00 0.00 C ATOM 492 CG LEU A 31 -1.994 9.181 -0.660 1.00 0.00 C ATOM 493 CD1 LEU A 31 -1.982 10.492 -1.430 1.00 0.00 C ATOM 494 CD2 LEU A 31 -2.875 9.294 0.576 1.00 0.00 C ATOM 0 H LEU A 31 -0.621 8.794 -3.467 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.933 6.536 -1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.147 8.448 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.054 7.345 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.976 8.964 -0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.639 11.294 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.309 10.407 -2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.989 10.716 -1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.520 10.113 1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.904 9.488 0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.833 8.362 1.140 1.00 0.00 H new ATOM 506 N THR A 32 -2.666 5.369 -3.115 1.00 0.00 N ATOM 507 CA THR A 32 -3.292 4.534 -4.132 1.00 0.00 C ATOM 508 C THR A 32 -4.752 4.921 -4.338 1.00 0.00 C ATOM 509 O THR A 32 -5.602 4.657 -3.486 1.00 0.00 O ATOM 510 CB THR A 32 -3.217 3.042 -3.758 1.00 0.00 C ATOM 511 OG1 THR A 32 -1.874 2.693 -3.405 1.00 0.00 O ATOM 512 CG2 THR A 32 -3.686 2.170 -4.912 1.00 0.00 C ATOM 0 H THR A 32 -2.801 5.042 -2.159 1.00 0.00 H new ATOM 0 HA THR A 32 -2.741 4.697 -5.058 1.00 0.00 H new ATOM 0 HB THR A 32 -3.873 2.871 -2.905 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.835 1.743 -3.167 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.624 1.121 -4.624 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.718 2.418 -5.159 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.053 2.346 -5.782 1.00 0.00 H new ATOM 520 N LEU A 33 -5.038 5.548 -5.474 1.00 0.00 N ATOM 521 CA LEU A 33 -6.397 5.971 -5.794 1.00 0.00 C ATOM 522 C LEU A 33 -7.347 4.778 -5.820 1.00 0.00 C ATOM 523 O LEU A 33 -7.309 3.961 -6.741 1.00 0.00 O ATOM 524 CB LEU A 33 -6.425 6.689 -7.144 1.00 0.00 C ATOM 525 CG LEU A 33 -7.509 7.754 -7.315 1.00 0.00 C ATOM 526 CD1 LEU A 33 -8.879 7.178 -6.994 1.00 0.00 C ATOM 527 CD2 LEU A 33 -7.216 8.960 -6.435 1.00 0.00 C ATOM 0 H LEU A 33 -4.347 5.775 -6.189 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.729 6.659 -5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.454 7.158 -7.304 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.551 5.942 -7.928 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.509 8.080 -8.355 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.637 7.950 -7.121 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.091 6.347 -7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.892 6.823 -5.964 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.998 9.707 -6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.187 8.650 -5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.253 9.388 -6.713 1.00 0.00 H new ATOM 539 N LEU A 34 -8.200 4.684 -4.805 1.00 0.00 N ATOM 540 CA LEU A 34 -9.162 3.592 -4.713 1.00 0.00 C ATOM 541 C LEU A 34 -10.465 3.954 -5.418 1.00 0.00 C ATOM 542 O LEU A 34 -10.995 3.170 -6.204 1.00 0.00 O ATOM 543 CB LEU A 34 -9.439 3.253 -3.247 1.00 0.00 C ATOM 544 CG LEU A 34 -9.845 1.807 -2.958 1.00 0.00 C ATOM 545 CD1 LEU A 34 -9.276 1.350 -1.623 1.00 0.00 C ATOM 546 CD2 LEU A 34 -11.360 1.665 -2.971 1.00 0.00 C ATOM 0 H LEU A 34 -8.244 5.351 -4.035 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.733 2.720 -5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.545 3.481 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.230 3.911 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.434 1.171 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.575 0.319 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.188 1.413 -1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.657 1.990 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.630 0.630 -2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -11.793 2.313 -2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.744 1.951 -3.950 1.00 0.00 H new ATOM 558 N ASN A 35 -10.976 5.147 -5.133 1.00 0.00 N ATOM 559 CA ASN A 35 -12.216 5.614 -5.741 1.00 0.00 C ATOM 560 C ASN A 35 -12.057 7.031 -6.284 1.00 0.00 C ATOM 561 O ASN A 35 -11.603 7.930 -5.576 1.00 0.00 O ATOM 562 CB ASN A 35 -13.356 5.571 -4.721 1.00 0.00 C ATOM 563 CG ASN A 35 -14.673 6.042 -5.307 1.00 0.00 C ATOM 564 OD1 ASN A 35 -15.257 7.021 -4.843 1.00 0.00 O ATOM 565 ND2 ASN A 35 -15.148 5.344 -6.332 1.00 0.00 N ATOM 0 H ASN A 35 -10.550 5.809 -4.484 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.456 4.951 -6.572 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.470 4.552 -4.350 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.098 6.195 -3.865 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.031 5.613 -6.767 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.630 4.539 -6.684 1.00 0.00 H new ATOM 572 N SER A 36 -12.434 7.222 -7.544 1.00 0.00 N ATOM 573 CA SER A 36 -12.330 8.528 -8.183 1.00 0.00 C ATOM 574 C SER A 36 -13.672 8.954 -8.770 1.00 0.00 C ATOM 575 O SER A 36 -13.743 9.870 -9.590 1.00 0.00 O ATOM 576 CB SER A 36 -11.266 8.499 -9.282 1.00 0.00 C ATOM 577 OG SER A 36 -11.765 7.886 -10.458 1.00 0.00 O ATOM 0 H SER A 36 -12.814 6.489 -8.142 1.00 0.00 H new ATOM 0 HA SER A 36 -12.038 9.254 -7.424 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.943 9.515 -9.507 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.389 7.956 -8.929 1.00 0.00 H new ATOM 0 HG SER A 36 -11.067 7.881 -11.146 1.00 0.00 H new ATOM 583 N THR A 37 -14.738 8.282 -8.344 1.00 0.00 N ATOM 584 CA THR A 37 -16.078 8.589 -8.827 1.00 0.00 C ATOM 585 C THR A 37 -16.452 10.036 -8.529 1.00 0.00 C ATOM 586 O THR A 37 -17.236 10.647 -9.255 1.00 0.00 O ATOM 587 CB THR A 37 -17.130 7.658 -8.194 1.00 0.00 C ATOM 588 OG1 THR A 37 -18.393 7.833 -8.844 1.00 0.00 O ATOM 589 CG2 THR A 37 -17.276 7.938 -6.706 1.00 0.00 C ATOM 0 H THR A 37 -14.698 7.522 -7.665 1.00 0.00 H new ATOM 0 HA THR A 37 -16.068 8.434 -9.906 1.00 0.00 H new ATOM 0 HB THR A 37 -16.796 6.628 -8.322 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.056 7.237 -8.437 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.024 7.269 -6.281 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.319 7.775 -6.209 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.589 8.972 -6.559 1.00 0.00 H new ATOM 597 N ASN A 38 -15.887 10.580 -7.456 1.00 0.00 N ATOM 598 CA ASN A 38 -16.162 11.957 -7.062 1.00 0.00 C ATOM 599 C ASN A 38 -15.117 12.907 -7.639 1.00 0.00 C ATOM 600 O ASN A 38 -14.162 12.478 -8.288 1.00 0.00 O ATOM 601 CB ASN A 38 -16.189 12.077 -5.537 1.00 0.00 C ATOM 602 CG ASN A 38 -17.601 12.164 -4.989 1.00 0.00 C ATOM 603 OD1 ASN A 38 -18.273 11.148 -4.812 1.00 0.00 O ATOM 604 ND2 ASN A 38 -18.056 13.381 -4.717 1.00 0.00 N ATOM 0 H ASN A 38 -15.236 10.088 -6.844 1.00 0.00 H new ATOM 0 HA ASN A 38 -17.138 12.234 -7.459 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -15.684 11.216 -5.098 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.630 12.962 -5.235 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -18.998 13.502 -4.345 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.463 14.195 -4.880 1.00 0.00 H new ATOM 611 N LYS A 39 -15.305 14.200 -7.400 1.00 0.00 N ATOM 612 CA LYS A 39 -14.379 15.212 -7.894 1.00 0.00 C ATOM 613 C LYS A 39 -13.771 16.003 -6.739 1.00 0.00 C ATOM 614 O LYS A 39 -12.622 16.439 -6.810 1.00 0.00 O ATOM 615 CB LYS A 39 -15.095 16.162 -8.856 1.00 0.00 C ATOM 616 CG LYS A 39 -15.359 15.557 -10.224 1.00 0.00 C ATOM 617 CD LYS A 39 -16.031 16.554 -11.154 1.00 0.00 C ATOM 618 CE LYS A 39 -15.024 17.525 -11.752 1.00 0.00 C ATOM 619 NZ LYS A 39 -15.474 18.048 -13.071 1.00 0.00 N ATOM 0 H LYS A 39 -16.091 14.572 -6.867 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.575 14.704 -8.427 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -16.043 16.467 -8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.495 17.064 -8.977 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.419 15.225 -10.664 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.990 14.675 -10.117 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.542 16.019 -11.955 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.792 17.109 -10.605 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.870 18.357 -11.065 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.062 17.025 -11.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -14.761 18.706 -13.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.597 17.257 -13.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.379 18.547 -12.956 1.00 0.00 H new ATOM 633 N ASP A 40 -14.550 16.185 -5.678 1.00 0.00 N ATOM 634 CA ASP A 40 -14.087 16.921 -4.508 1.00 0.00 C ATOM 635 C ASP A 40 -13.391 15.990 -3.520 1.00 0.00 C ATOM 636 O ASP A 40 -12.244 16.222 -3.137 1.00 0.00 O ATOM 637 CB ASP A 40 -15.261 17.624 -3.824 1.00 0.00 C ATOM 638 CG ASP A 40 -16.068 18.473 -4.787 1.00 0.00 C ATOM 639 OD1 ASP A 40 -15.594 19.569 -5.151 1.00 0.00 O ATOM 640 OD2 ASP A 40 -17.173 18.041 -5.176 1.00 0.00 O ATOM 0 H ASP A 40 -15.504 15.833 -5.605 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.369 17.670 -4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.912 16.878 -3.369 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.884 18.253 -3.018 1.00 0.00 H new ATOM 645 N TRP A 41 -14.091 14.939 -3.112 1.00 0.00 N ATOM 646 CA TRP A 41 -13.540 13.973 -2.167 1.00 0.00 C ATOM 647 C TRP A 41 -13.053 12.722 -2.890 1.00 0.00 C ATOM 648 O TRP A 41 -13.812 12.077 -3.613 1.00 0.00 O ATOM 649 CB TRP A 41 -14.590 13.596 -1.121 1.00 0.00 C ATOM 650 CG TRP A 41 -14.897 14.706 -0.161 1.00 0.00 C ATOM 651 CD1 TRP A 41 -16.042 15.449 -0.107 1.00 0.00 C ATOM 652 CD2 TRP A 41 -14.047 15.199 0.880 1.00 0.00 C ATOM 653 NE1 TRP A 41 -15.955 16.374 0.905 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.741 16.241 1.526 1.00 0.00 C ATOM 655 CE3 TRP A 41 -12.768 14.861 1.330 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -14.197 16.945 2.596 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -12.229 15.561 2.392 1.00 0.00 C ATOM 658 CH2 TRP A 41 -12.943 16.593 3.017 1.00 0.00 C ATOM 0 H TRP A 41 -15.041 14.733 -3.420 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.689 14.436 -1.667 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -15.508 13.300 -1.628 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -14.240 12.728 -0.562 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -16.891 15.327 -0.763 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -16.677 17.050 1.154 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.211 14.067 0.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -14.745 17.741 3.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -11.241 15.309 2.747 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -12.495 17.120 3.846 1.00 0.00 H new ATOM 669 N TRP A 42 -11.784 12.386 -2.690 1.00 0.00 N ATOM 670 CA TRP A 42 -11.196 11.210 -3.323 1.00 0.00 C ATOM 671 C TRP A 42 -10.771 10.184 -2.279 1.00 0.00 C ATOM 672 O TRP A 42 -10.213 10.536 -1.239 1.00 0.00 O ATOM 673 CB TRP A 42 -9.994 11.614 -4.178 1.00 0.00 C ATOM 674 CG TRP A 42 -10.359 11.962 -5.590 1.00 0.00 C ATOM 675 CD1 TRP A 42 -11.616 12.142 -6.090 1.00 0.00 C ATOM 676 CD2 TRP A 42 -9.456 12.168 -6.682 1.00 0.00 C ATOM 677 NE1 TRP A 42 -11.550 12.449 -7.428 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.236 12.472 -7.815 1.00 0.00 C ATOM 679 CE3 TRP A 42 -8.065 12.129 -6.812 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -9.670 12.732 -9.060 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -7.505 12.388 -8.049 1.00 0.00 C ATOM 682 CH2 TRP A 42 -8.306 12.687 -9.159 1.00 0.00 C ATOM 0 H TRP A 42 -11.142 12.910 -2.095 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.953 10.756 -3.963 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.500 12.469 -3.717 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.273 10.797 -4.188 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.528 12.056 -5.518 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -12.350 12.630 -8.035 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.439 11.901 -5.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.286 12.961 -9.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.431 12.359 -8.162 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -7.838 12.886 -10.112 1.00 0.00 H new ATOM 693 N LYS A 43 -11.039 8.914 -2.561 1.00 0.00 N ATOM 694 CA LYS A 43 -10.683 7.835 -1.646 1.00 0.00 C ATOM 695 C LYS A 43 -9.378 7.170 -2.071 1.00 0.00 C ATOM 696 O LYS A 43 -9.317 6.502 -3.104 1.00 0.00 O ATOM 697 CB LYS A 43 -11.804 6.795 -1.591 1.00 0.00 C ATOM 698 CG LYS A 43 -13.196 7.402 -1.565 1.00 0.00 C ATOM 699 CD LYS A 43 -14.228 6.407 -1.061 1.00 0.00 C ATOM 700 CE LYS A 43 -15.619 6.736 -1.581 1.00 0.00 C ATOM 701 NZ LYS A 43 -15.970 8.167 -1.363 1.00 0.00 N ATOM 0 H LYS A 43 -11.502 8.606 -3.416 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.545 8.264 -0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.720 6.136 -2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.670 6.175 -0.704 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.197 8.285 -0.925 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.468 7.734 -2.567 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.949 5.401 -1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.236 6.410 0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.672 6.507 -2.645 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.352 6.102 -1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.000 8.259 -1.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.499 8.513 -0.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.656 8.730 -2.179 1.00 0.00 H new ATOM 715 N VAL A 44 -8.335 7.354 -1.268 1.00 0.00 N ATOM 716 CA VAL A 44 -7.032 6.770 -1.559 1.00 0.00 C ATOM 717 C VAL A 44 -6.571 5.861 -0.425 1.00 0.00 C ATOM 718 O VAL A 44 -6.943 6.058 0.731 1.00 0.00 O ATOM 719 CB VAL A 44 -5.969 7.859 -1.795 1.00 0.00 C ATOM 720 CG1 VAL A 44 -6.043 8.378 -3.223 1.00 0.00 C ATOM 721 CG2 VAL A 44 -6.139 8.994 -0.797 1.00 0.00 C ATOM 0 H VAL A 44 -8.368 7.904 -0.410 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.145 6.181 -2.469 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.983 7.418 -1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.284 9.147 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.868 7.557 -3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.030 8.803 -3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.380 9.755 -0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.129 9.435 -0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.030 8.607 0.216 1.00 0.00 H new ATOM 731 N GLU A 45 -5.757 4.866 -0.765 1.00 0.00 N ATOM 732 CA GLU A 45 -5.245 3.927 0.226 1.00 0.00 C ATOM 733 C GLU A 45 -3.830 4.305 0.654 1.00 0.00 C ATOM 734 O GLU A 45 -2.994 4.664 -0.175 1.00 0.00 O ATOM 735 CB GLU A 45 -5.256 2.503 -0.335 1.00 0.00 C ATOM 736 CG GLU A 45 -5.122 1.429 0.731 1.00 0.00 C ATOM 737 CD GLU A 45 -5.714 0.101 0.298 1.00 0.00 C ATOM 738 OE1 GLU A 45 -5.195 -0.491 -0.671 1.00 0.00 O ATOM 739 OE2 GLU A 45 -6.695 -0.345 0.928 1.00 0.00 O ATOM 0 H GLU A 45 -5.439 4.690 -1.718 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.895 3.971 1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.184 2.345 -0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.441 2.397 -1.051 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.068 1.291 0.973 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.617 1.763 1.643 1.00 0.00 H new ATOM 746 N VAL A 46 -3.570 4.223 1.955 1.00 0.00 N ATOM 747 CA VAL A 46 -2.257 4.556 2.495 1.00 0.00 C ATOM 748 C VAL A 46 -1.620 3.349 3.174 1.00 0.00 C ATOM 749 O VAL A 46 -2.205 2.267 3.218 1.00 0.00 O ATOM 750 CB VAL A 46 -2.343 5.714 3.507 1.00 0.00 C ATOM 751 CG1 VAL A 46 -2.748 7.004 2.809 1.00 0.00 C ATOM 752 CG2 VAL A 46 -3.318 5.374 4.624 1.00 0.00 C ATOM 0 H VAL A 46 -4.251 3.929 2.655 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.638 4.865 1.653 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.357 5.862 3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.804 7.811 3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.008 7.254 2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.722 6.873 2.339 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.366 6.203 5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.308 5.198 4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.980 4.476 5.141 1.00 0.00 H new ATOM 762 N LYS A 47 -0.416 3.542 3.703 1.00 0.00 N ATOM 763 CA LYS A 47 0.302 2.470 4.382 1.00 0.00 C ATOM 764 C LYS A 47 0.625 2.859 5.821 1.00 0.00 C ATOM 765 O LYS A 47 1.318 3.847 6.066 1.00 0.00 O ATOM 766 CB LYS A 47 1.592 2.136 3.631 1.00 0.00 C ATOM 767 CG LYS A 47 2.069 0.710 3.844 1.00 0.00 C ATOM 768 CD LYS A 47 3.269 0.656 4.774 1.00 0.00 C ATOM 769 CE LYS A 47 2.850 0.376 6.209 1.00 0.00 C ATOM 770 NZ LYS A 47 4.000 -0.059 7.048 1.00 0.00 N ATOM 0 H LYS A 47 0.083 4.431 3.674 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.340 1.589 4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.435 2.302 2.565 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.376 2.824 3.949 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.258 0.113 4.260 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.332 0.266 2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.957 -0.119 4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.808 1.602 4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.406 1.274 6.639 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.081 -0.396 6.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.719 -0.877 7.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.796 -0.325 6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.290 0.721 7.672 1.00 0.00 H new ATOM 784 N ILE A 48 0.121 2.075 6.769 1.00 0.00 N ATOM 785 CA ILE A 48 0.359 2.337 8.183 1.00 0.00 C ATOM 786 C ILE A 48 1.214 1.240 8.808 1.00 0.00 C ATOM 787 O ILE A 48 1.071 0.061 8.480 1.00 0.00 O ATOM 788 CB ILE A 48 -0.962 2.450 8.965 1.00 0.00 C ATOM 789 CG1 ILE A 48 -1.812 3.596 8.410 1.00 0.00 C ATOM 790 CG2 ILE A 48 -0.685 2.659 10.446 1.00 0.00 C ATOM 791 CD1 ILE A 48 -2.674 3.194 7.234 1.00 0.00 C ATOM 0 H ILE A 48 -0.454 1.254 6.583 1.00 0.00 H new ATOM 0 HA ILE A 48 0.889 3.287 8.243 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.517 1.520 8.847 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.452 3.981 9.204 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.155 4.411 8.107 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.629 2.737 10.985 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.115 1.814 10.832 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.112 3.576 10.583 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.249 4.055 6.893 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.039 2.837 6.423 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.356 2.400 7.538 1.00 0.00 H new ATOM 803 N THR A 49 2.104 1.635 9.714 1.00 0.00 N ATOM 804 CA THR A 49 2.982 0.686 10.387 1.00 0.00 C ATOM 805 C THR A 49 2.528 0.438 11.820 1.00 0.00 C ATOM 806 O THR A 49 2.562 1.339 12.658 1.00 0.00 O ATOM 807 CB THR A 49 4.440 1.183 10.401 1.00 0.00 C ATOM 808 OG1 THR A 49 4.808 1.660 9.103 1.00 0.00 O ATOM 809 CG2 THR A 49 5.387 0.070 10.825 1.00 0.00 C ATOM 0 H THR A 49 2.235 2.606 9.998 1.00 0.00 H new ATOM 0 HA THR A 49 2.929 -0.247 9.826 1.00 0.00 H new ATOM 0 HB THR A 49 4.516 1.997 11.121 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.736 1.976 9.121 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.411 0.444 10.827 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.123 -0.271 11.826 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.307 -0.762 10.126 1.00 0.00 H new ATOM 817 N VAL A 50 2.102 -0.791 12.097 1.00 0.00 N ATOM 818 CA VAL A 50 1.642 -1.159 13.431 1.00 0.00 C ATOM 819 C VAL A 50 2.453 -2.323 13.990 1.00 0.00 C ATOM 820 O VAL A 50 2.357 -3.448 13.504 1.00 0.00 O ATOM 821 CB VAL A 50 0.151 -1.542 13.424 1.00 0.00 C ATOM 822 CG1 VAL A 50 -0.317 -1.893 14.829 1.00 0.00 C ATOM 823 CG2 VAL A 50 -0.687 -0.414 12.841 1.00 0.00 C ATOM 0 H VAL A 50 2.066 -1.549 11.415 1.00 0.00 H new ATOM 0 HA VAL A 50 1.781 -0.285 14.067 1.00 0.00 H new ATOM 0 HB VAL A 50 0.023 -2.422 12.793 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.373 -2.161 14.804 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.263 -2.736 15.206 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.176 -1.034 15.485 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.738 -0.703 12.844 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.556 0.485 13.443 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.368 -0.215 11.818 1.00 0.00 H new ATOM 833 N ASN A 51 3.250 -2.042 15.016 1.00 0.00 N ATOM 834 CA ASN A 51 4.078 -3.067 15.643 1.00 0.00 C ATOM 835 C ASN A 51 5.011 -3.711 14.622 1.00 0.00 C ATOM 836 O ASN A 51 5.458 -4.843 14.802 1.00 0.00 O ATOM 837 CB ASN A 51 3.198 -4.136 16.292 1.00 0.00 C ATOM 838 CG ASN A 51 2.748 -3.747 17.687 1.00 0.00 C ATOM 839 OD1 ASN A 51 3.554 -3.317 18.514 1.00 0.00 O ATOM 840 ND2 ASN A 51 1.456 -3.895 17.956 1.00 0.00 N ATOM 0 H ASN A 51 3.340 -1.114 15.431 1.00 0.00 H new ATOM 0 HA ASN A 51 4.684 -2.589 16.413 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.323 -4.311 15.667 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.748 -5.076 16.340 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.096 -3.649 18.878 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.824 -4.255 17.241 1.00 0.00 H new ATOM 847 N GLY A 52 5.301 -2.981 13.550 1.00 0.00 N ATOM 848 CA GLY A 52 6.180 -3.497 12.517 1.00 0.00 C ATOM 849 C GLY A 52 5.422 -4.205 11.411 1.00 0.00 C ATOM 850 O GLY A 52 6.018 -4.675 10.442 1.00 0.00 O ATOM 0 H GLY A 52 4.943 -2.041 13.378 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.756 -2.676 12.090 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.894 -4.188 12.964 1.00 0.00 H new ATOM 854 N LYS A 53 4.104 -4.285 11.557 1.00 0.00 N ATOM 855 CA LYS A 53 3.262 -4.942 10.565 1.00 0.00 C ATOM 856 C LYS A 53 2.720 -3.933 9.557 1.00 0.00 C ATOM 857 O LYS A 53 2.248 -2.858 9.931 1.00 0.00 O ATOM 858 CB LYS A 53 2.102 -5.668 11.249 1.00 0.00 C ATOM 859 CG LYS A 53 1.025 -6.138 10.287 1.00 0.00 C ATOM 860 CD LYS A 53 0.670 -7.597 10.516 1.00 0.00 C ATOM 861 CE LYS A 53 0.136 -7.826 11.922 1.00 0.00 C ATOM 862 NZ LYS A 53 -1.040 -6.961 12.216 1.00 0.00 N ATOM 0 H LYS A 53 3.595 -3.902 12.354 1.00 0.00 H new ATOM 0 HA LYS A 53 3.874 -5.670 10.032 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.493 -6.529 11.792 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.653 -5.003 11.987 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.134 -5.522 10.409 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.368 -6.003 9.261 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.077 -7.910 9.786 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.552 -8.217 10.355 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.145 -8.873 12.038 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.925 -7.626 12.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.457 -7.240 13.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.737 -5.967 12.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.749 -7.071 11.463 1.00 0.00 H new ATOM 876 N THR A 54 2.790 -4.285 8.277 1.00 0.00 N ATOM 877 CA THR A 54 2.306 -3.410 7.217 1.00 0.00 C ATOM 878 C THR A 54 0.783 -3.414 7.153 1.00 0.00 C ATOM 879 O THR A 54 0.162 -4.464 6.991 1.00 0.00 O ATOM 880 CB THR A 54 2.867 -3.828 5.844 1.00 0.00 C ATOM 881 OG1 THR A 54 3.787 -4.914 6.001 1.00 0.00 O ATOM 882 CG2 THR A 54 3.566 -2.659 5.166 1.00 0.00 C ATOM 0 H THR A 54 3.177 -5.170 7.950 1.00 0.00 H new ATOM 0 HA THR A 54 2.654 -2.405 7.453 1.00 0.00 H new ATOM 0 HB THR A 54 2.034 -4.146 5.217 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.138 -5.175 5.124 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.954 -2.978 4.199 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.856 -1.845 5.022 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.390 -2.315 5.791 1.00 0.00 H new ATOM 890 N TYR A 55 0.188 -2.233 7.280 1.00 0.00 N ATOM 891 CA TYR A 55 -1.264 -2.101 7.239 1.00 0.00 C ATOM 892 C TYR A 55 -1.697 -1.212 6.077 1.00 0.00 C ATOM 893 O TYR A 55 -0.911 -0.415 5.566 1.00 0.00 O ATOM 894 CB TYR A 55 -1.783 -1.526 8.557 1.00 0.00 C ATOM 895 CG TYR A 55 -2.218 -2.581 9.549 1.00 0.00 C ATOM 896 CD1 TYR A 55 -3.334 -3.373 9.306 1.00 0.00 C ATOM 897 CD2 TYR A 55 -1.513 -2.788 10.728 1.00 0.00 C ATOM 898 CE1 TYR A 55 -3.736 -4.337 10.209 1.00 0.00 C ATOM 899 CE2 TYR A 55 -1.907 -3.752 11.636 1.00 0.00 C ATOM 900 CZ TYR A 55 -3.019 -4.523 11.373 1.00 0.00 C ATOM 901 OH TYR A 55 -3.416 -5.484 12.274 1.00 0.00 O ATOM 0 H TYR A 55 0.688 -1.354 7.412 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.690 -3.094 7.092 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.002 -0.914 9.009 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.625 -0.866 8.349 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.897 -3.232 8.395 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.642 -2.185 10.938 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.607 -4.942 10.005 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.347 -3.901 12.547 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.856 -6.218 11.797 1.00 0.00 H new ATOM 911 N GLU A 56 -2.954 -1.354 5.668 1.00 0.00 N ATOM 912 CA GLU A 56 -3.492 -0.564 4.567 1.00 0.00 C ATOM 913 C GLU A 56 -4.946 -0.184 4.830 1.00 0.00 C ATOM 914 O GLU A 56 -5.687 -0.930 5.470 1.00 0.00 O ATOM 915 CB GLU A 56 -3.385 -1.340 3.252 1.00 0.00 C ATOM 916 CG GLU A 56 -1.974 -1.803 2.932 1.00 0.00 C ATOM 917 CD GLU A 56 -1.617 -3.105 3.622 1.00 0.00 C ATOM 918 OE1 GLU A 56 -2.434 -4.048 3.569 1.00 0.00 O ATOM 919 OE2 GLU A 56 -0.520 -3.182 4.215 1.00 0.00 O ATOM 0 H GLU A 56 -3.618 -2.008 6.082 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.904 0.351 4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.042 -2.209 3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.745 -0.711 2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.872 -1.928 1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.265 -1.031 3.232 1.00 0.00 H new ATOM 926 N ARG A 57 -5.347 0.980 4.330 1.00 0.00 N ATOM 927 CA ARG A 57 -6.712 1.460 4.512 1.00 0.00 C ATOM 928 C ARG A 57 -7.002 2.638 3.587 1.00 0.00 C ATOM 929 O ARG A 57 -6.121 3.452 3.309 1.00 0.00 O ATOM 930 CB ARG A 57 -6.941 1.872 5.968 1.00 0.00 C ATOM 931 CG ARG A 57 -5.930 2.885 6.480 1.00 0.00 C ATOM 932 CD ARG A 57 -6.557 3.840 7.483 1.00 0.00 C ATOM 933 NE ARG A 57 -7.219 3.130 8.575 1.00 0.00 N ATOM 934 CZ ARG A 57 -6.566 2.540 9.570 1.00 0.00 C ATOM 935 NH1 ARG A 57 -5.241 2.576 9.612 1.00 0.00 N ATOM 936 NH2 ARG A 57 -7.239 1.914 10.527 1.00 0.00 N ATOM 0 H ARG A 57 -4.747 1.608 3.796 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.393 0.647 4.261 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.943 2.290 6.065 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.904 0.984 6.598 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.095 2.363 6.946 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.524 3.451 5.642 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.787 4.495 7.891 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.280 4.477 6.974 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.238 3.085 8.573 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.720 3.058 8.879 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.742 2.122 10.377 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.258 1.886 10.499 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.737 1.461 11.291 1.00 0.00 H new ATOM 950 N GLN A 58 -8.241 2.722 3.114 1.00 0.00 N ATOM 951 CA GLN A 58 -8.645 3.800 2.220 1.00 0.00 C ATOM 952 C GLN A 58 -9.281 4.946 3.000 1.00 0.00 C ATOM 953 O GLN A 58 -10.095 4.724 3.896 1.00 0.00 O ATOM 954 CB GLN A 58 -9.626 3.278 1.169 1.00 0.00 C ATOM 955 CG GLN A 58 -11.030 3.052 1.706 1.00 0.00 C ATOM 956 CD GLN A 58 -12.003 2.610 0.630 1.00 0.00 C ATOM 957 OE1 GLN A 58 -12.740 1.640 0.804 1.00 0.00 O ATOM 958 NE2 GLN A 58 -12.010 3.322 -0.491 1.00 0.00 N ATOM 0 H GLN A 58 -8.982 2.057 3.335 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.753 4.176 1.720 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.672 3.988 0.343 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.246 2.340 0.763 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -10.997 2.298 2.492 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -11.393 3.973 2.162 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -11.382 4.119 -0.593 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -12.644 3.072 -1.250 1.00 0.00 H new ATOM 967 N GLY A 59 -8.902 6.173 2.655 1.00 0.00 N ATOM 968 CA GLY A 59 -9.444 7.335 3.334 1.00 0.00 C ATOM 969 C GLY A 59 -9.828 8.442 2.372 1.00 0.00 C ATOM 970 O GLY A 59 -9.314 8.510 1.256 1.00 0.00 O ATOM 0 H GLY A 59 -8.229 6.383 1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.320 7.039 3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.708 7.713 4.044 1.00 0.00 H new ATOM 974 N PHE A 60 -10.737 9.310 2.804 1.00 0.00 N ATOM 975 CA PHE A 60 -11.193 10.417 1.971 1.00 0.00 C ATOM 976 C PHE A 60 -10.245 11.607 2.083 1.00 0.00 C ATOM 977 O PHE A 60 -9.730 11.906 3.160 1.00 0.00 O ATOM 978 CB PHE A 60 -12.608 10.838 2.375 1.00 0.00 C ATOM 979 CG PHE A 60 -13.524 9.679 2.644 1.00 0.00 C ATOM 980 CD1 PHE A 60 -14.264 9.111 1.620 1.00 0.00 C ATOM 981 CD2 PHE A 60 -13.645 9.156 3.922 1.00 0.00 C ATOM 982 CE1 PHE A 60 -15.108 8.045 1.865 1.00 0.00 C ATOM 983 CE2 PHE A 60 -14.488 8.090 4.173 1.00 0.00 C ATOM 984 CZ PHE A 60 -15.220 7.533 3.143 1.00 0.00 C ATOM 0 H PHE A 60 -11.172 9.268 3.726 1.00 0.00 H new ATOM 0 HA PHE A 60 -11.204 10.079 0.935 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.552 11.461 3.267 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -13.036 11.453 1.583 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -14.180 9.506 0.618 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -13.074 9.587 4.731 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -15.680 7.612 1.058 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -14.574 7.693 5.174 1.00 0.00 H new ATOM 0 HZ PHE A 60 -15.878 6.699 3.336 1.00 0.00 H new ATOM 994 N VAL A 61 -10.018 12.283 0.961 1.00 0.00 N ATOM 995 CA VAL A 61 -9.133 13.441 0.931 1.00 0.00 C ATOM 996 C VAL A 61 -9.507 14.390 -0.202 1.00 0.00 C ATOM 997 O VAL A 61 -10.114 13.997 -1.199 1.00 0.00 O ATOM 998 CB VAL A 61 -7.661 13.018 0.767 1.00 0.00 C ATOM 999 CG1 VAL A 61 -7.104 12.501 2.085 1.00 0.00 C ATOM 1000 CG2 VAL A 61 -7.527 11.969 -0.326 1.00 0.00 C ATOM 0 H VAL A 61 -10.435 12.048 0.060 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.252 13.955 1.885 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.080 13.892 0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.063 12.207 1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.164 13.286 2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.685 11.639 2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.481 11.682 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.120 11.093 -0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.884 12.380 -1.270 1.00 0.00 H new ATOM 1010 N PRO A 62 -9.136 15.670 -0.049 1.00 0.00 N ATOM 1011 CA PRO A 62 -9.421 16.702 -1.050 1.00 0.00 C ATOM 1012 C PRO A 62 -8.604 16.516 -2.323 1.00 0.00 C ATOM 1013 O PRO A 62 -7.389 16.712 -2.327 1.00 0.00 O ATOM 1014 CB PRO A 62 -9.023 18.000 -0.344 1.00 0.00 C ATOM 1015 CG PRO A 62 -8.010 17.587 0.667 1.00 0.00 C ATOM 1016 CD PRO A 62 -8.410 16.208 1.114 1.00 0.00 C ATOM 0 HA PRO A 62 -10.461 16.679 -1.375 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.608 18.722 -1.047 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.884 18.473 0.129 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.008 17.583 0.237 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.993 18.280 1.508 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.541 15.598 1.363 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.041 16.241 2.002 1.00 0.00 H new ATOM 1024 N ALA A 63 -9.278 16.135 -3.404 1.00 0.00 N ATOM 1025 CA ALA A 63 -8.614 15.925 -4.684 1.00 0.00 C ATOM 1026 C ALA A 63 -7.969 17.213 -5.186 1.00 0.00 C ATOM 1027 O ALA A 63 -6.969 17.179 -5.903 1.00 0.00 O ATOM 1028 CB ALA A 63 -9.603 15.394 -5.711 1.00 0.00 C ATOM 0 H ALA A 63 -10.284 15.966 -3.418 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.825 15.187 -4.539 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.093 15.242 -6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.014 14.446 -5.364 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.411 16.113 -5.844 1.00 0.00 H new ATOM 1034 N ALA A 64 -8.547 18.347 -4.805 1.00 0.00 N ATOM 1035 CA ALA A 64 -8.028 19.645 -5.215 1.00 0.00 C ATOM 1036 C ALA A 64 -6.655 19.906 -4.603 1.00 0.00 C ATOM 1037 O ALA A 64 -5.945 20.823 -5.015 1.00 0.00 O ATOM 1038 CB ALA A 64 -8.999 20.750 -4.826 1.00 0.00 C ATOM 0 H ALA A 64 -9.376 18.393 -4.212 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.919 19.638 -6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.598 21.714 -5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.958 20.580 -5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.138 20.748 -3.745 1.00 0.00 H new ATOM 1044 N TYR A 65 -6.289 19.094 -3.617 1.00 0.00 N ATOM 1045 CA TYR A 65 -5.003 19.239 -2.946 1.00 0.00 C ATOM 1046 C TYR A 65 -4.025 18.160 -3.403 1.00 0.00 C ATOM 1047 O TYR A 65 -2.912 18.056 -2.887 1.00 0.00 O ATOM 1048 CB TYR A 65 -5.185 19.169 -1.429 1.00 0.00 C ATOM 1049 CG TYR A 65 -5.532 20.499 -0.799 1.00 0.00 C ATOM 1050 CD1 TYR A 65 -6.446 21.356 -1.398 1.00 0.00 C ATOM 1051 CD2 TYR A 65 -4.947 20.897 0.397 1.00 0.00 C ATOM 1052 CE1 TYR A 65 -6.766 22.572 -0.826 1.00 0.00 C ATOM 1053 CE2 TYR A 65 -5.262 22.110 0.977 1.00 0.00 C ATOM 1054 CZ TYR A 65 -6.171 22.945 0.362 1.00 0.00 C ATOM 1055 OH TYR A 65 -6.488 24.155 0.936 1.00 0.00 O ATOM 0 H TYR A 65 -6.865 18.329 -3.265 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.591 20.213 -3.211 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.972 18.451 -1.199 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.267 18.791 -0.978 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.915 21.067 -2.327 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.234 20.246 0.881 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.478 23.227 -1.306 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.799 22.403 1.908 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.983 24.264 1.769 1.00 0.00 H new ATOM 1065 N VAL A 66 -4.450 17.360 -4.375 1.00 0.00 N ATOM 1066 CA VAL A 66 -3.613 16.290 -4.905 1.00 0.00 C ATOM 1067 C VAL A 66 -3.758 16.176 -6.418 1.00 0.00 C ATOM 1068 O VAL A 66 -4.552 16.889 -7.032 1.00 0.00 O ATOM 1069 CB VAL A 66 -3.963 14.934 -4.263 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -3.880 15.024 -2.747 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -5.346 14.477 -4.703 1.00 0.00 C ATOM 0 H VAL A 66 -5.369 17.432 -4.812 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.582 16.545 -4.661 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.237 14.194 -4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.130 14.057 -2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.868 15.303 -2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.582 15.777 -2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.577 13.518 -4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.087 15.215 -4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.366 14.371 -5.788 1.00 0.00 H new ATOM 1081 N LYS A 67 -2.986 15.274 -7.015 1.00 0.00 N ATOM 1082 CA LYS A 67 -3.029 15.063 -8.457 1.00 0.00 C ATOM 1083 C LYS A 67 -2.844 13.588 -8.797 1.00 0.00 C ATOM 1084 O LYS A 67 -2.541 12.772 -7.926 1.00 0.00 O ATOM 1085 CB LYS A 67 -1.947 15.896 -9.147 1.00 0.00 C ATOM 1086 CG LYS A 67 -0.536 15.399 -8.883 1.00 0.00 C ATOM 1087 CD LYS A 67 0.488 16.168 -9.701 1.00 0.00 C ATOM 1088 CE LYS A 67 0.640 15.583 -11.096 1.00 0.00 C ATOM 1089 NZ LYS A 67 1.798 16.173 -11.823 1.00 0.00 N ATOM 0 H LYS A 67 -2.322 14.677 -6.522 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.008 15.380 -8.816 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.129 15.894 -10.222 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.028 16.930 -8.812 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.306 15.500 -7.822 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.472 14.338 -9.123 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.186 17.213 -9.774 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.451 16.150 -9.191 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.768 14.503 -11.025 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.273 15.759 -11.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.867 15.748 -12.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.664 17.200 -11.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.673 15.984 -11.294 1.00 0.00 H new ATOM 1103 N LYS A 68 -3.028 13.251 -10.069 1.00 0.00 N ATOM 1104 CA LYS A 68 -2.879 11.875 -10.526 1.00 0.00 C ATOM 1105 C LYS A 68 -1.602 11.708 -11.344 1.00 0.00 C ATOM 1106 O LYS A 68 -1.197 12.614 -12.073 1.00 0.00 O ATOM 1107 CB LYS A 68 -4.090 11.460 -11.363 1.00 0.00 C ATOM 1108 CG LYS A 68 -3.936 10.101 -12.025 1.00 0.00 C ATOM 1109 CD LYS A 68 -3.513 10.234 -13.479 1.00 0.00 C ATOM 1110 CE LYS A 68 -4.155 9.162 -14.346 1.00 0.00 C ATOM 1111 NZ LYS A 68 -3.735 9.275 -15.770 1.00 0.00 N ATOM 0 H LYS A 68 -3.281 13.913 -10.802 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.814 11.233 -9.648 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.974 11.446 -10.725 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.264 12.212 -12.133 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.196 9.513 -11.482 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.880 9.558 -11.968 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.792 11.220 -13.851 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.428 10.161 -13.552 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.885 8.177 -13.965 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.240 9.243 -14.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.724 8.330 -16.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.405 9.884 -16.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.782 9.690 -15.819 1.00 0.00 H new ATOM 1125 N LEU A 69 -0.972 10.545 -11.219 1.00 0.00 N ATOM 1126 CA LEU A 69 0.259 10.259 -11.947 1.00 0.00 C ATOM 1127 C LEU A 69 -0.025 9.414 -13.185 1.00 0.00 C ATOM 1128 O LEU A 69 0.469 9.705 -14.274 1.00 0.00 O ATOM 1129 CB LEU A 69 1.256 9.536 -11.040 1.00 0.00 C ATOM 1130 CG LEU A 69 1.742 10.319 -9.819 1.00 0.00 C ATOM 1131 CD1 LEU A 69 0.874 10.013 -8.609 1.00 0.00 C ATOM 1132 CD2 LEU A 69 3.201 9.998 -9.527 1.00 0.00 C ATOM 0 H LEU A 69 -1.294 9.785 -10.620 1.00 0.00 H new ATOM 0 HA LEU A 69 0.691 11.207 -12.267 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.797 8.610 -10.694 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.124 9.257 -11.637 1.00 0.00 H new ATOM 0 HG LEU A 69 1.662 11.384 -10.037 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.235 10.579 -7.750 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.158 10.293 -8.821 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.922 8.947 -8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.531 10.564 -8.655 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.306 8.931 -9.329 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.812 10.269 -10.388 1.00 0.00 H new ATOM 1144 N ASP A 70 -0.825 8.368 -13.010 1.00 0.00 N ATOM 1145 CA ASP A 70 -1.178 7.482 -14.113 1.00 0.00 C ATOM 1146 C ASP A 70 -2.149 6.400 -13.652 1.00 0.00 C ATOM 1147 O ASP A 70 -2.267 6.126 -12.456 1.00 0.00 O ATOM 1148 CB ASP A 70 0.079 6.840 -14.701 1.00 0.00 C ATOM 1149 CG ASP A 70 -0.233 5.611 -15.533 1.00 0.00 C ATOM 1150 OD1 ASP A 70 -0.667 5.775 -16.692 1.00 0.00 O ATOM 1151 OD2 ASP A 70 -0.045 4.486 -15.024 1.00 0.00 O ATOM 0 H ASP A 70 -1.241 8.113 -12.115 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.667 8.078 -14.884 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.601 7.570 -15.319 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.756 6.565 -13.892 1.00 0.00 H new TER 1156 ASP A 70