USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc= 0.0245 (180deg=-0.57) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 114:sc= 0.145 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -171:sc= -0.0194 (180deg=-0.153) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0664 USER MOD Single : A 24 THR OG1 : rot -130:sc= -1.28 USER MOD Single : A 25 MET CE :methyl -129:sc= -15.9! (180deg=-19.7!) USER MOD Single : A 26 LYS NZ :NH3+ -165:sc= -0.0072 (180deg=-0.168) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 160:sc= 0.0416 USER MOD Single : A 35 ASN : amide:sc= -0.163 K(o=-0.16,f=-0.74) 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= 0.173 K(o=0.17,f=-2.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -157:sc=0.000885 (180deg=-0.111) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0523 USER MOD Single : A 51 ASN : amide:sc= -0.0157 X(o=-0.016,f=-0.016) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) 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+ 173:sc= 0 (180deg=-0.0655) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.887 -0.171 -0.578 1.00 0.00 N ATOM 2 CA MET A 1 6.315 -0.961 0.506 1.00 0.00 C ATOM 3 C MET A 1 6.079 -2.401 0.063 1.00 0.00 C ATOM 4 O MET A 1 6.602 -3.340 0.665 1.00 0.00 O ATOM 5 CB MET A 1 5.000 -0.339 0.981 1.00 0.00 C ATOM 6 CG MET A 1 5.190 0.848 1.911 1.00 0.00 C ATOM 7 SD MET A 1 3.675 1.797 2.144 1.00 0.00 S ATOM 8 CE MET A 1 3.006 1.011 3.608 1.00 0.00 C ATOM 0 H1 MET A 1 7.376 0.658 -0.183 1.00 0.00 H new ATOM 0 H2 MET A 1 7.566 -0.752 -1.110 1.00 0.00 H new ATOM 0 H3 MET A 1 6.128 0.145 -1.215 1.00 0.00 H new ATOM 0 HA MET A 1 7.025 -0.966 1.333 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.423 -0.021 0.112 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.411 -1.100 1.493 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.544 0.493 2.879 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.964 1.500 1.508 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.065 1.489 3.879 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.832 -0.046 3.406 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.714 1.111 4.431 1.00 0.00 H new ATOM 18 N ASP A 2 5.289 -2.569 -0.992 1.00 0.00 N ATOM 19 CA ASP A 2 4.985 -3.895 -1.516 1.00 0.00 C ATOM 20 C ASP A 2 5.620 -4.096 -2.888 1.00 0.00 C ATOM 21 O ASP A 2 5.085 -4.816 -3.731 1.00 0.00 O ATOM 22 CB ASP A 2 3.471 -4.096 -1.607 1.00 0.00 C ATOM 23 CG ASP A 2 2.768 -2.916 -2.250 1.00 0.00 C ATOM 24 OD1 ASP A 2 2.465 -1.942 -1.531 1.00 0.00 O ATOM 25 OD2 ASP A 2 2.522 -2.968 -3.473 1.00 0.00 O ATOM 0 H ASP A 2 4.848 -1.803 -1.501 1.00 0.00 H new ATOM 0 HA ASP A 2 5.402 -4.633 -0.831 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.261 -4.998 -2.182 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.068 -4.255 -0.607 1.00 0.00 H new ATOM 30 N GLU A 3 6.764 -3.455 -3.105 1.00 0.00 N ATOM 31 CA GLU A 3 7.471 -3.562 -4.375 1.00 0.00 C ATOM 32 C GLU A 3 8.928 -3.961 -4.156 1.00 0.00 C ATOM 33 O GLU A 3 9.844 -3.320 -4.671 1.00 0.00 O ATOM 34 CB GLU A 3 7.404 -2.236 -5.136 1.00 0.00 C ATOM 35 CG GLU A 3 7.698 -1.022 -4.270 1.00 0.00 C ATOM 36 CD GLU A 3 6.438 -0.315 -3.811 1.00 0.00 C ATOM 37 OE1 GLU A 3 5.350 -0.922 -3.901 1.00 0.00 O ATOM 38 OE2 GLU A 3 6.539 0.846 -3.362 1.00 0.00 O ATOM 0 H GLU A 3 7.221 -2.856 -2.417 1.00 0.00 H new ATOM 0 HA GLU A 3 6.984 -4.338 -4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 3 8.115 -2.264 -5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 3 6.412 -2.128 -5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 3 8.274 -1.333 -3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 3 8.319 -0.323 -4.830 1.00 0.00 H new ATOM 45 N THR A 4 9.134 -5.025 -3.386 1.00 0.00 N ATOM 46 CA THR A 4 10.477 -5.510 -3.095 1.00 0.00 C ATOM 47 C THR A 4 10.441 -6.924 -2.528 1.00 0.00 C ATOM 48 O THR A 4 9.839 -7.169 -1.483 1.00 0.00 O ATOM 49 CB THR A 4 11.204 -4.587 -2.098 1.00 0.00 C ATOM 50 OG1 THR A 4 10.250 -3.894 -1.287 1.00 0.00 O ATOM 51 CG2 THR A 4 12.080 -3.583 -2.831 1.00 0.00 C ATOM 0 H THR A 4 8.387 -5.567 -2.952 1.00 0.00 H new ATOM 0 HA THR A 4 11.022 -5.515 -4.039 1.00 0.00 H new ATOM 0 HB THR A 4 11.840 -5.204 -1.462 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.720 -3.311 -0.655 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.583 -2.942 -2.107 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.824 -4.114 -3.424 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.461 -2.972 -3.488 1.00 0.00 H new ATOM 59 N GLY A 5 11.091 -7.853 -3.223 1.00 0.00 N ATOM 60 CA GLY A 5 11.121 -9.232 -2.772 1.00 0.00 C ATOM 61 C GLY A 5 11.176 -10.217 -3.922 1.00 0.00 C ATOM 62 O GLY A 5 11.488 -11.393 -3.729 1.00 0.00 O ATOM 0 H GLY A 5 11.597 -7.675 -4.090 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.988 -9.382 -2.128 1.00 0.00 H new ATOM 0 HA3 GLY A 5 10.236 -9.433 -2.168 1.00 0.00 H new ATOM 66 N LYS A 6 10.871 -9.739 -5.124 1.00 0.00 N ATOM 67 CA LYS A 6 10.886 -10.585 -6.311 1.00 0.00 C ATOM 68 C LYS A 6 12.209 -10.451 -7.058 1.00 0.00 C ATOM 69 O LYS A 6 12.901 -11.440 -7.295 1.00 0.00 O ATOM 70 CB LYS A 6 9.725 -10.219 -7.239 1.00 0.00 C ATOM 71 CG LYS A 6 8.566 -9.544 -6.525 1.00 0.00 C ATOM 72 CD LYS A 6 8.655 -8.031 -6.626 1.00 0.00 C ATOM 73 CE LYS A 6 8.377 -7.366 -5.287 1.00 0.00 C ATOM 74 NZ LYS A 6 6.976 -7.590 -4.836 1.00 0.00 N ATOM 0 H LYS A 6 10.610 -8.769 -5.301 1.00 0.00 H new ATOM 0 HA LYS A 6 10.773 -11.620 -5.990 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.092 -9.558 -8.024 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.363 -11.123 -7.728 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.624 -9.884 -6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.561 -9.840 -5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.647 -7.746 -6.976 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.941 -7.672 -7.367 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.066 -7.756 -4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.566 -6.295 -5.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.827 -7.121 -3.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.318 -7.195 -5.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.803 -8.610 -4.735 1.00 0.00 H new ATOM 88 N GLU A 7 12.554 -9.221 -7.425 1.00 0.00 N ATOM 89 CA GLU A 7 13.795 -8.958 -8.144 1.00 0.00 C ATOM 90 C GLU A 7 13.945 -7.470 -8.445 1.00 0.00 C ATOM 91 O GLU A 7 13.279 -6.935 -9.332 1.00 0.00 O ATOM 92 CB GLU A 7 13.836 -9.761 -9.446 1.00 0.00 C ATOM 93 CG GLU A 7 14.979 -10.759 -9.511 1.00 0.00 C ATOM 94 CD GLU A 7 16.311 -10.146 -9.124 1.00 0.00 C ATOM 95 OE1 GLU A 7 16.544 -8.968 -9.467 1.00 0.00 O ATOM 96 OE2 GLU A 7 17.120 -10.844 -8.478 1.00 0.00 O ATOM 0 H GLU A 7 11.992 -8.391 -7.236 1.00 0.00 H new ATOM 0 HA GLU A 7 14.625 -9.267 -7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.893 -10.294 -9.564 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.919 -9.071 -10.286 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.763 -11.597 -8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.048 -11.161 -10.522 1.00 0.00 H new ATOM 103 N LEU A 8 14.824 -6.807 -7.701 1.00 0.00 N ATOM 104 CA LEU A 8 15.062 -5.380 -7.888 1.00 0.00 C ATOM 105 C LEU A 8 16.406 -5.137 -8.566 1.00 0.00 C ATOM 106 O LEU A 8 17.392 -5.815 -8.276 1.00 0.00 O ATOM 107 CB LEU A 8 15.019 -4.656 -6.541 1.00 0.00 C ATOM 108 CG LEU A 8 13.633 -4.237 -6.049 1.00 0.00 C ATOM 109 CD1 LEU A 8 13.189 -2.953 -6.733 1.00 0.00 C ATOM 110 CD2 LEU A 8 12.623 -5.349 -6.289 1.00 0.00 C ATOM 0 H LEU A 8 15.383 -7.235 -6.963 1.00 0.00 H new ATOM 0 HA LEU A 8 14.275 -4.986 -8.531 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.469 -5.303 -5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.643 -3.765 -6.610 1.00 0.00 H new ATOM 0 HG LEU A 8 13.690 -4.051 -4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.201 -2.671 -6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.899 -2.157 -6.509 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.149 -3.110 -7.811 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.643 -5.033 -5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.569 -5.567 -7.356 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.933 -6.245 -5.751 1.00 0.00 H new ATOM 122 N VAL A 9 16.440 -4.162 -9.469 1.00 0.00 N ATOM 123 CA VAL A 9 17.664 -3.826 -10.187 1.00 0.00 C ATOM 124 C VAL A 9 18.117 -2.407 -9.865 1.00 0.00 C ATOM 125 O VAL A 9 17.299 -1.530 -9.583 1.00 0.00 O ATOM 126 CB VAL A 9 17.476 -3.961 -11.710 1.00 0.00 C ATOM 127 CG1 VAL A 9 16.901 -5.325 -12.059 1.00 0.00 C ATOM 128 CG2 VAL A 9 16.585 -2.846 -12.237 1.00 0.00 C ATOM 0 H VAL A 9 15.633 -3.591 -9.721 1.00 0.00 H new ATOM 0 HA VAL A 9 18.428 -4.531 -9.859 1.00 0.00 H new ATOM 0 HB VAL A 9 18.451 -3.872 -12.188 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.775 -5.401 -13.139 1.00 0.00 H new ATOM 0 HG12 VAL A 9 17.581 -6.105 -11.717 1.00 0.00 H new ATOM 0 HG13 VAL A 9 15.934 -5.448 -11.572 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.463 -2.957 -13.314 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.610 -2.901 -11.754 1.00 0.00 H new ATOM 0 HG23 VAL A 9 17.044 -1.881 -12.021 1.00 0.00 H new ATOM 138 N LEU A 10 19.426 -2.185 -9.911 1.00 0.00 N ATOM 139 CA LEU A 10 19.990 -0.871 -9.625 1.00 0.00 C ATOM 140 C LEU A 10 20.483 -0.200 -10.903 1.00 0.00 C ATOM 141 O LEU A 10 21.064 -0.849 -11.772 1.00 0.00 O ATOM 142 CB LEU A 10 21.140 -0.994 -8.624 1.00 0.00 C ATOM 143 CG LEU A 10 21.888 0.299 -8.298 1.00 0.00 C ATOM 144 CD1 LEU A 10 21.296 0.962 -7.064 1.00 0.00 C ATOM 145 CD2 LEU A 10 23.371 0.022 -8.098 1.00 0.00 C ATOM 0 H LEU A 10 20.117 -2.898 -10.144 1.00 0.00 H new ATOM 0 HA LEU A 10 19.204 -0.253 -9.192 1.00 0.00 H new ATOM 0 HB2 LEU A 10 20.744 -1.405 -7.695 1.00 0.00 H new ATOM 0 HB3 LEU A 10 21.857 -1.717 -9.012 1.00 0.00 H new ATOM 0 HG LEU A 10 21.777 0.982 -9.140 1.00 0.00 H new ATOM 0 HD11 LEU A 10 21.841 1.881 -6.848 1.00 0.00 H new ATOM 0 HD12 LEU A 10 20.247 1.197 -7.245 1.00 0.00 H new ATOM 0 HD13 LEU A 10 21.375 0.284 -6.214 1.00 0.00 H new ATOM 0 HD21 LEU A 10 23.887 0.954 -7.867 1.00 0.00 H new ATOM 0 HD22 LEU A 10 23.502 -0.680 -7.274 1.00 0.00 H new ATOM 0 HD23 LEU A 10 23.787 -0.407 -9.010 1.00 0.00 H new ATOM 157 N ALA A 11 20.249 1.104 -11.009 1.00 0.00 N ATOM 158 CA ALA A 11 20.672 1.864 -12.179 1.00 0.00 C ATOM 159 C ALA A 11 22.142 2.258 -12.074 1.00 0.00 C ATOM 160 O ALA A 11 22.471 3.347 -11.602 1.00 0.00 O ATOM 161 CB ALA A 11 19.803 3.100 -12.348 1.00 0.00 C ATOM 0 H ALA A 11 19.769 1.656 -10.299 1.00 0.00 H new ATOM 0 HA ALA A 11 20.554 1.229 -13.057 1.00 0.00 H new ATOM 0 HB1 ALA A 11 20.130 3.658 -13.225 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.763 2.799 -12.476 1.00 0.00 H new ATOM 0 HB3 ALA A 11 19.891 3.731 -11.463 1.00 0.00 H new ATOM 167 N LEU A 12 23.021 1.367 -12.517 1.00 0.00 N ATOM 168 CA LEU A 12 24.457 1.622 -12.473 1.00 0.00 C ATOM 169 C LEU A 12 24.790 2.970 -13.103 1.00 0.00 C ATOM 170 O LEU A 12 25.563 3.752 -12.548 1.00 0.00 O ATOM 171 CB LEU A 12 25.216 0.507 -13.195 1.00 0.00 C ATOM 172 CG LEU A 12 24.883 -0.921 -12.761 1.00 0.00 C ATOM 173 CD1 LEU A 12 25.547 -1.928 -13.688 1.00 0.00 C ATOM 174 CD2 LEU A 12 25.314 -1.155 -11.321 1.00 0.00 C ATOM 0 H LEU A 12 22.765 0.462 -12.911 1.00 0.00 H new ATOM 0 HA LEU A 12 24.765 1.644 -11.428 1.00 0.00 H new ATOM 0 HB2 LEU A 12 25.021 0.595 -14.264 1.00 0.00 H new ATOM 0 HB3 LEU A 12 26.284 0.670 -13.051 1.00 0.00 H new ATOM 0 HG LEU A 12 23.803 -1.057 -12.823 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.299 -2.939 -13.364 1.00 0.00 H new ATOM 0 HD12 LEU A 12 25.190 -1.775 -14.707 1.00 0.00 H new ATOM 0 HD13 LEU A 12 26.628 -1.792 -13.658 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.069 -2.176 -11.029 1.00 0.00 H new ATOM 0 HD22 LEU A 12 26.389 -1.001 -11.233 1.00 0.00 H new ATOM 0 HD23 LEU A 12 24.793 -0.456 -10.667 1.00 0.00 H new ATOM 186 N TYR A 13 24.201 3.237 -14.263 1.00 0.00 N ATOM 187 CA TYR A 13 24.436 4.491 -14.969 1.00 0.00 C ATOM 188 C TYR A 13 23.121 5.212 -15.250 1.00 0.00 C ATOM 189 O TYR A 13 22.082 4.580 -15.441 1.00 0.00 O ATOM 190 CB TYR A 13 25.178 4.231 -16.281 1.00 0.00 C ATOM 191 CG TYR A 13 26.549 3.622 -16.091 1.00 0.00 C ATOM 192 CD1 TYR A 13 27.642 4.413 -15.757 1.00 0.00 C ATOM 193 CD2 TYR A 13 26.752 2.256 -16.245 1.00 0.00 C ATOM 194 CE1 TYR A 13 28.896 3.861 -15.583 1.00 0.00 C ATOM 195 CE2 TYR A 13 28.002 1.696 -16.071 1.00 0.00 C ATOM 196 CZ TYR A 13 29.071 2.502 -15.740 1.00 0.00 C ATOM 197 OH TYR A 13 30.319 1.948 -15.568 1.00 0.00 O ATOM 0 H TYR A 13 23.557 2.602 -14.735 1.00 0.00 H new ATOM 0 HA TYR A 13 25.050 5.128 -14.332 1.00 0.00 H new ATOM 0 HB2 TYR A 13 24.578 3.567 -16.903 1.00 0.00 H new ATOM 0 HB3 TYR A 13 25.279 5.171 -16.824 1.00 0.00 H new ATOM 0 HD1 TYR A 13 27.508 5.477 -15.631 1.00 0.00 H new ATOM 0 HD2 TYR A 13 25.918 1.621 -16.505 1.00 0.00 H new ATOM 0 HE1 TYR A 13 29.735 4.490 -15.325 1.00 0.00 H new ATOM 0 HE2 TYR A 13 28.142 0.632 -16.193 1.00 0.00 H new ATOM 0 HH TYR A 13 30.270 0.980 -15.713 1.00 0.00 H new ATOM 207 N ASP A 14 23.175 6.539 -15.275 1.00 0.00 N ATOM 208 CA ASP A 14 21.990 7.348 -15.534 1.00 0.00 C ATOM 209 C ASP A 14 21.485 7.131 -16.957 1.00 0.00 C ATOM 210 O ASP A 14 22.223 6.661 -17.823 1.00 0.00 O ATOM 211 CB ASP A 14 22.298 8.829 -15.309 1.00 0.00 C ATOM 212 CG ASP A 14 21.110 9.720 -15.611 1.00 0.00 C ATOM 213 OD1 ASP A 14 20.932 10.094 -16.789 1.00 0.00 O ATOM 214 OD2 ASP A 14 20.356 10.043 -14.669 1.00 0.00 O ATOM 0 H ASP A 14 24.027 7.077 -15.119 1.00 0.00 H new ATOM 0 HA ASP A 14 21.209 7.038 -14.839 1.00 0.00 H new ATOM 0 HB2 ASP A 14 22.608 8.980 -14.275 1.00 0.00 H new ATOM 0 HB3 ASP A 14 23.138 9.122 -15.939 1.00 0.00 H new ATOM 219 N TYR A 15 20.224 7.476 -17.190 1.00 0.00 N ATOM 220 CA TYR A 15 19.619 7.316 -18.507 1.00 0.00 C ATOM 221 C TYR A 15 18.676 8.474 -18.818 1.00 0.00 C ATOM 222 O TYR A 15 18.389 9.303 -17.955 1.00 0.00 O ATOM 223 CB TYR A 15 18.859 5.991 -18.585 1.00 0.00 C ATOM 224 CG TYR A 15 18.706 5.463 -19.994 1.00 0.00 C ATOM 225 CD1 TYR A 15 19.815 5.252 -20.803 1.00 0.00 C ATOM 226 CD2 TYR A 15 17.450 5.174 -20.515 1.00 0.00 C ATOM 227 CE1 TYR A 15 19.679 4.771 -22.090 1.00 0.00 C ATOM 228 CE2 TYR A 15 17.305 4.691 -21.801 1.00 0.00 C ATOM 229 CZ TYR A 15 18.422 4.491 -22.585 1.00 0.00 C ATOM 230 OH TYR A 15 18.283 4.010 -23.867 1.00 0.00 O ATOM 0 H TYR A 15 19.601 7.868 -16.484 1.00 0.00 H new ATOM 0 HA TYR A 15 20.419 7.313 -19.248 1.00 0.00 H new ATOM 0 HB2 TYR A 15 19.379 5.247 -17.982 1.00 0.00 H new ATOM 0 HB3 TYR A 15 17.870 6.123 -18.146 1.00 0.00 H new ATOM 0 HD1 TYR A 15 20.801 5.468 -20.419 1.00 0.00 H new ATOM 0 HD2 TYR A 15 16.573 5.330 -19.904 1.00 0.00 H new ATOM 0 HE1 TYR A 15 20.552 4.615 -22.706 1.00 0.00 H new ATOM 0 HE2 TYR A 15 16.322 4.471 -22.191 1.00 0.00 H new ATOM 0 HH TYR A 15 17.943 3.091 -23.837 1.00 0.00 H new ATOM 240 N GLN A 16 18.196 8.523 -20.057 1.00 0.00 N ATOM 241 CA GLN A 16 17.285 9.579 -20.482 1.00 0.00 C ATOM 242 C GLN A 16 16.296 9.059 -21.520 1.00 0.00 C ATOM 243 O GLN A 16 16.571 9.083 -22.719 1.00 0.00 O ATOM 244 CB GLN A 16 18.071 10.759 -21.056 1.00 0.00 C ATOM 245 CG GLN A 16 18.101 11.973 -20.140 1.00 0.00 C ATOM 246 CD GLN A 16 17.264 13.121 -20.667 1.00 0.00 C ATOM 247 OE1 GLN A 16 17.728 13.922 -21.479 1.00 0.00 O ATOM 248 NE2 GLN A 16 16.021 13.208 -20.206 1.00 0.00 N ATOM 0 H GLN A 16 18.423 7.844 -20.783 1.00 0.00 H new ATOM 0 HA GLN A 16 16.725 9.915 -19.609 1.00 0.00 H new ATOM 0 HB2 GLN A 16 19.094 10.440 -21.257 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.633 11.046 -22.012 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.739 11.687 -19.152 1.00 0.00 H new ATOM 0 HG3 GLN A 16 19.132 12.306 -20.018 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.677 12.522 -19.534 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.410 13.960 -20.524 1.00 0.00 H new ATOM 257 N GLU A 17 15.145 8.589 -21.049 1.00 0.00 N ATOM 258 CA GLU A 17 14.116 8.063 -21.938 1.00 0.00 C ATOM 259 C GLU A 17 13.727 9.095 -22.992 1.00 0.00 C ATOM 260 O GLU A 17 13.894 10.298 -22.791 1.00 0.00 O ATOM 261 CB GLU A 17 12.881 7.648 -21.135 1.00 0.00 C ATOM 262 CG GLU A 17 12.215 8.801 -20.403 1.00 0.00 C ATOM 263 CD GLU A 17 11.279 9.594 -21.295 1.00 0.00 C ATOM 264 OE1 GLU A 17 10.925 9.091 -22.381 1.00 0.00 O ATOM 265 OE2 GLU A 17 10.901 10.719 -20.904 1.00 0.00 O ATOM 0 H GLU A 17 14.902 8.562 -20.059 1.00 0.00 H new ATOM 0 HA GLU A 17 14.523 7.188 -22.445 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.157 7.190 -21.809 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.168 6.886 -20.410 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.657 8.412 -19.551 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.982 9.466 -20.005 1.00 0.00 H new ATOM 272 N LYS A 18 13.208 8.616 -24.118 1.00 0.00 N ATOM 273 CA LYS A 18 12.794 9.495 -25.205 1.00 0.00 C ATOM 274 C LYS A 18 11.386 9.148 -25.678 1.00 0.00 C ATOM 275 O LYS A 18 10.884 9.729 -26.641 1.00 0.00 O ATOM 276 CB LYS A 18 13.776 9.391 -26.374 1.00 0.00 C ATOM 277 CG LYS A 18 13.435 8.287 -27.359 1.00 0.00 C ATOM 278 CD LYS A 18 13.388 6.929 -26.680 1.00 0.00 C ATOM 279 CE LYS A 18 14.716 6.590 -26.020 1.00 0.00 C ATOM 280 NZ LYS A 18 15.830 6.539 -27.007 1.00 0.00 N ATOM 0 H LYS A 18 13.064 7.623 -24.301 1.00 0.00 H new ATOM 0 HA LYS A 18 12.791 10.519 -24.831 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.800 10.344 -26.903 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.778 9.219 -25.981 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.471 8.497 -27.822 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.176 8.270 -28.158 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.596 6.923 -25.931 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.139 6.162 -27.414 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.942 7.334 -25.256 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.635 5.628 -25.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.683 6.158 -26.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.561 5.925 -27.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.025 7.498 -27.360 1.00 0.00 H new ATOM 294 N SER A 19 10.753 8.200 -24.995 1.00 0.00 N ATOM 295 CA SER A 19 9.403 7.775 -25.348 1.00 0.00 C ATOM 296 C SER A 19 8.560 7.549 -24.096 1.00 0.00 C ATOM 297 O SER A 19 9.077 7.361 -22.994 1.00 0.00 O ATOM 298 CB SER A 19 9.451 6.493 -26.182 1.00 0.00 C ATOM 299 OG SER A 19 9.079 6.746 -27.526 1.00 0.00 O ATOM 0 H SER A 19 11.153 7.711 -24.194 1.00 0.00 H new ATOM 0 HA SER A 19 8.942 8.567 -25.938 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.457 6.073 -26.152 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.782 5.749 -25.750 1.00 0.00 H new ATOM 0 HG SER A 19 9.119 5.912 -28.039 1.00 0.00 H new ATOM 305 N PRO A 20 7.230 7.569 -24.268 1.00 0.00 N ATOM 306 CA PRO A 20 6.286 7.368 -23.165 1.00 0.00 C ATOM 307 C PRO A 20 6.297 5.934 -22.647 1.00 0.00 C ATOM 308 O PRO A 20 6.091 5.692 -21.457 1.00 0.00 O ATOM 309 CB PRO A 20 4.931 7.699 -23.793 1.00 0.00 C ATOM 310 CG PRO A 20 5.114 7.441 -25.249 1.00 0.00 C ATOM 311 CD PRO A 20 6.546 7.787 -25.553 1.00 0.00 C ATOM 0 HA PRO A 20 6.532 7.984 -22.300 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.139 7.076 -23.377 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.651 8.736 -23.607 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.904 6.399 -25.490 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.431 8.049 -25.842 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.955 7.152 -26.339 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.647 8.818 -25.892 1.00 0.00 H new ATOM 319 N ARG A 21 6.539 4.986 -23.546 1.00 0.00 N ATOM 320 CA ARG A 21 6.576 3.576 -23.180 1.00 0.00 C ATOM 321 C ARG A 21 7.880 3.233 -22.467 1.00 0.00 C ATOM 322 O ARG A 21 7.934 2.302 -21.663 1.00 0.00 O ATOM 323 CB ARG A 21 6.416 2.699 -24.423 1.00 0.00 C ATOM 324 CG ARG A 21 6.267 1.219 -24.110 1.00 0.00 C ATOM 325 CD ARG A 21 7.239 0.377 -24.922 1.00 0.00 C ATOM 326 NE ARG A 21 6.621 -0.852 -25.412 1.00 0.00 N ATOM 327 CZ ARG A 21 5.671 -0.877 -26.340 1.00 0.00 C ATOM 328 NH1 ARG A 21 5.232 0.253 -26.876 1.00 0.00 N ATOM 329 NH2 ARG A 21 5.158 -2.036 -26.734 1.00 0.00 N ATOM 0 H ARG A 21 6.713 5.169 -24.534 1.00 0.00 H new ATOM 0 HA ARG A 21 5.748 3.382 -22.499 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.542 3.033 -24.983 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.282 2.839 -25.070 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.439 1.052 -23.047 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.246 0.902 -24.321 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.606 0.960 -25.767 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.104 0.128 -24.307 1.00 0.00 H new ATOM 0 HE ARG A 21 6.936 -1.740 -25.020 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.624 1.146 -26.576 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.502 0.230 -27.588 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.493 -2.908 -26.324 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.428 -2.055 -27.447 1.00 0.00 H new ATOM 343 N GLU A 22 8.930 3.991 -22.767 1.00 0.00 N ATOM 344 CA GLU A 22 10.234 3.766 -22.156 1.00 0.00 C ATOM 345 C GLU A 22 10.350 4.513 -20.830 1.00 0.00 C ATOM 346 O GLU A 22 9.579 5.432 -20.553 1.00 0.00 O ATOM 347 CB GLU A 22 11.350 4.212 -23.103 1.00 0.00 C ATOM 348 CG GLU A 22 12.727 3.710 -22.701 1.00 0.00 C ATOM 349 CD GLU A 22 13.630 3.464 -23.894 1.00 0.00 C ATOM 350 OE1 GLU A 22 13.240 3.836 -25.020 1.00 0.00 O ATOM 351 OE2 GLU A 22 14.727 2.900 -23.700 1.00 0.00 O ATOM 0 H GLU A 22 8.903 4.766 -23.429 1.00 0.00 H new ATOM 0 HA GLU A 22 10.336 2.698 -21.963 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.124 3.859 -24.109 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.367 5.301 -23.143 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.196 4.438 -22.039 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.621 2.785 -22.134 1.00 0.00 H new ATOM 358 N VAL A 23 11.318 4.110 -20.013 1.00 0.00 N ATOM 359 CA VAL A 23 11.536 4.740 -18.716 1.00 0.00 C ATOM 360 C VAL A 23 12.976 5.219 -18.572 1.00 0.00 C ATOM 361 O VAL A 23 13.823 4.942 -19.423 1.00 0.00 O ATOM 362 CB VAL A 23 11.209 3.775 -17.561 1.00 0.00 C ATOM 363 CG1 VAL A 23 9.705 3.673 -17.359 1.00 0.00 C ATOM 364 CG2 VAL A 23 11.814 2.404 -17.826 1.00 0.00 C ATOM 0 H VAL A 23 11.964 3.350 -20.226 1.00 0.00 H new ATOM 0 HA VAL A 23 10.865 5.597 -18.664 1.00 0.00 H new ATOM 0 HB VAL A 23 11.648 4.170 -16.645 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.494 2.987 -16.539 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.302 4.658 -17.121 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.240 3.301 -18.272 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.573 1.734 -17.000 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.406 1.999 -18.752 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.896 2.495 -17.916 1.00 0.00 H new ATOM 374 N THR A 24 13.249 5.939 -17.489 1.00 0.00 N ATOM 375 CA THR A 24 14.587 6.457 -17.233 1.00 0.00 C ATOM 376 C THR A 24 14.984 6.258 -15.774 1.00 0.00 C ATOM 377 O THR A 24 14.132 6.042 -14.914 1.00 0.00 O ATOM 378 CB THR A 24 14.686 7.954 -17.581 1.00 0.00 C ATOM 379 OG1 THR A 24 16.039 8.294 -17.903 1.00 0.00 O ATOM 380 CG2 THR A 24 14.206 8.812 -16.420 1.00 0.00 C ATOM 0 H THR A 24 12.561 6.177 -16.775 1.00 0.00 H new ATOM 0 HA THR A 24 15.270 5.897 -17.872 1.00 0.00 H new ATOM 0 HB THR A 24 14.048 8.147 -18.444 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.309 9.083 -17.388 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.285 9.865 -16.689 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.167 8.572 -16.195 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.822 8.614 -15.543 1.00 0.00 H new ATOM 388 N MET A 25 16.283 6.334 -15.504 1.00 0.00 N ATOM 389 CA MET A 25 16.792 6.164 -14.148 1.00 0.00 C ATOM 390 C MET A 25 18.016 7.044 -13.912 1.00 0.00 C ATOM 391 O MET A 25 18.522 7.681 -14.836 1.00 0.00 O ATOM 392 CB MET A 25 17.147 4.698 -13.893 1.00 0.00 C ATOM 393 CG MET A 25 16.112 3.721 -14.426 1.00 0.00 C ATOM 394 SD MET A 25 16.605 2.000 -14.210 1.00 0.00 S ATOM 395 CE MET A 25 15.028 1.171 -14.393 1.00 0.00 C ATOM 0 H MET A 25 17.002 6.512 -16.205 1.00 0.00 H new ATOM 0 HA MET A 25 16.009 6.467 -13.453 1.00 0.00 H new ATOM 0 HB2 MET A 25 18.111 4.481 -14.353 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.264 4.542 -12.821 1.00 0.00 H new ATOM 0 HG2 MET A 25 15.163 3.890 -13.917 1.00 0.00 H new ATOM 0 HG3 MET A 25 15.945 3.917 -15.485 1.00 0.00 H new ATOM 0 HE1 MET A 25 14.873 0.495 -13.552 1.00 0.00 H new ATOM 0 HE2 MET A 25 14.228 1.911 -14.416 1.00 0.00 H new ATOM 0 HE3 MET A 25 15.022 0.602 -15.322 1.00 0.00 H new ATOM 405 N LYS A 26 18.486 7.075 -12.670 1.00 0.00 N ATOM 406 CA LYS A 26 19.651 7.875 -12.312 1.00 0.00 C ATOM 407 C LYS A 26 20.724 7.012 -11.656 1.00 0.00 C ATOM 408 O LYS A 26 20.448 5.906 -11.191 1.00 0.00 O ATOM 409 CB LYS A 26 19.246 9.009 -11.368 1.00 0.00 C ATOM 410 CG LYS A 26 20.208 10.185 -11.381 1.00 0.00 C ATOM 411 CD LYS A 26 19.602 11.409 -10.715 1.00 0.00 C ATOM 412 CE LYS A 26 18.559 12.068 -11.605 1.00 0.00 C ATOM 413 NZ LYS A 26 19.177 12.737 -12.782 1.00 0.00 N ATOM 0 H LYS A 26 18.078 6.555 -11.894 1.00 0.00 H new ATOM 0 HA LYS A 26 20.062 8.301 -13.227 1.00 0.00 H new ATOM 0 HB2 LYS A 26 18.252 9.361 -11.642 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.177 8.618 -10.353 1.00 0.00 H new ATOM 0 HG2 LYS A 26 21.129 9.909 -10.867 1.00 0.00 H new ATOM 0 HG3 LYS A 26 20.477 10.425 -12.410 1.00 0.00 H new ATOM 0 HD2 LYS A 26 19.145 11.121 -9.769 1.00 0.00 H new ATOM 0 HD3 LYS A 26 20.390 12.126 -10.483 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.847 11.317 -11.947 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.997 12.800 -11.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.485 13.379 -13.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 20.009 13.281 -12.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.470 12.019 -13.475 1.00 0.00 H new ATOM 427 N LYS A 27 21.950 7.525 -11.621 1.00 0.00 N ATOM 428 CA LYS A 27 23.064 6.802 -11.019 1.00 0.00 C ATOM 429 C LYS A 27 22.778 6.481 -9.556 1.00 0.00 C ATOM 430 O LYS A 27 22.910 7.339 -8.684 1.00 0.00 O ATOM 431 CB LYS A 27 24.350 7.625 -11.129 1.00 0.00 C ATOM 432 CG LYS A 27 24.591 8.195 -12.516 1.00 0.00 C ATOM 433 CD LYS A 27 24.431 9.706 -12.533 1.00 0.00 C ATOM 434 CE LYS A 27 25.296 10.346 -13.608 1.00 0.00 C ATOM 435 NZ LYS A 27 26.711 10.493 -13.166 1.00 0.00 N ATOM 0 H LYS A 27 22.197 8.438 -12.002 1.00 0.00 H new ATOM 0 HA LYS A 27 23.191 5.864 -11.560 1.00 0.00 H new ATOM 0 HB2 LYS A 27 24.310 8.444 -10.411 1.00 0.00 H new ATOM 0 HB3 LYS A 27 25.197 6.998 -10.851 1.00 0.00 H new ATOM 0 HG2 LYS A 27 25.594 7.931 -12.850 1.00 0.00 H new ATOM 0 HG3 LYS A 27 23.892 7.746 -13.221 1.00 0.00 H new ATOM 0 HD2 LYS A 27 23.385 9.960 -12.707 1.00 0.00 H new ATOM 0 HD3 LYS A 27 24.700 10.112 -11.558 1.00 0.00 H new ATOM 0 HE2 LYS A 27 25.259 9.739 -14.513 1.00 0.00 H new ATOM 0 HE3 LYS A 27 24.892 11.325 -13.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 27.268 10.933 -13.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 26.749 11.093 -12.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 27.105 9.556 -12.946 1.00 0.00 H new ATOM 449 N GLY A 28 22.386 5.238 -9.293 1.00 0.00 N ATOM 450 CA GLY A 28 22.089 4.825 -7.934 1.00 0.00 C ATOM 451 C GLY A 28 20.606 4.610 -7.705 1.00 0.00 C ATOM 452 O GLY A 28 20.154 4.524 -6.563 1.00 0.00 O ATOM 0 H GLY A 28 22.269 4.510 -9.997 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.625 3.902 -7.712 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.455 5.581 -7.239 1.00 0.00 H new ATOM 456 N ASP A 29 19.847 4.524 -8.792 1.00 0.00 N ATOM 457 CA ASP A 29 18.406 4.318 -8.704 1.00 0.00 C ATOM 458 C ASP A 29 18.077 2.835 -8.556 1.00 0.00 C ATOM 459 O ASP A 29 18.937 1.976 -8.754 1.00 0.00 O ATOM 460 CB ASP A 29 17.712 4.886 -9.942 1.00 0.00 C ATOM 461 CG ASP A 29 16.216 5.034 -9.750 1.00 0.00 C ATOM 462 OD1 ASP A 29 15.774 5.145 -8.587 1.00 0.00 O ATOM 463 OD2 ASP A 29 15.486 5.039 -10.763 1.00 0.00 O ATOM 0 H ASP A 29 20.206 4.594 -9.744 1.00 0.00 H new ATOM 0 HA ASP A 29 18.042 4.842 -7.820 1.00 0.00 H new ATOM 0 HB2 ASP A 29 18.142 5.858 -10.182 1.00 0.00 H new ATOM 0 HB3 ASP A 29 17.903 4.233 -10.794 1.00 0.00 H new ATOM 468 N ILE A 30 16.829 2.544 -8.206 1.00 0.00 N ATOM 469 CA ILE A 30 16.387 1.166 -8.032 1.00 0.00 C ATOM 470 C ILE A 30 14.944 0.989 -8.493 1.00 0.00 C ATOM 471 O ILE A 30 14.053 1.731 -8.077 1.00 0.00 O ATOM 472 CB ILE A 30 16.504 0.718 -6.563 1.00 0.00 C ATOM 473 CG1 ILE A 30 17.916 0.984 -6.037 1.00 0.00 C ATOM 474 CG2 ILE A 30 16.151 -0.755 -6.429 1.00 0.00 C ATOM 475 CD1 ILE A 30 18.081 0.674 -4.566 1.00 0.00 C ATOM 0 H ILE A 30 16.106 3.244 -8.037 1.00 0.00 H new ATOM 0 HA ILE A 30 17.040 0.545 -8.645 1.00 0.00 H new ATOM 0 HB ILE A 30 15.799 1.296 -5.965 1.00 0.00 H new ATOM 0 HG12 ILE A 30 18.626 0.386 -6.608 1.00 0.00 H new ATOM 0 HG13 ILE A 30 18.168 2.030 -6.210 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.238 -1.057 -5.385 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.128 -0.916 -6.769 1.00 0.00 H new ATOM 0 HG23 ILE A 30 16.833 -1.349 -7.037 1.00 0.00 H new ATOM 0 HD11 ILE A 30 19.106 0.886 -4.262 1.00 0.00 H new ATOM 0 HD12 ILE A 30 17.395 1.291 -3.985 1.00 0.00 H new ATOM 0 HD13 ILE A 30 17.861 -0.379 -4.389 1.00 0.00 H new ATOM 487 N LEU A 31 14.720 0.000 -9.351 1.00 0.00 N ATOM 488 CA LEU A 31 13.384 -0.277 -9.867 1.00 0.00 C ATOM 489 C LEU A 31 13.062 -1.765 -9.773 1.00 0.00 C ATOM 490 O LEU A 31 13.953 -2.611 -9.846 1.00 0.00 O ATOM 491 CB LEU A 31 13.270 0.190 -11.319 1.00 0.00 C ATOM 492 CG LEU A 31 13.321 1.702 -11.544 1.00 0.00 C ATOM 493 CD1 LEU A 31 12.382 2.416 -10.584 1.00 0.00 C ATOM 494 CD2 LEU A 31 14.744 2.217 -11.384 1.00 0.00 C ATOM 0 H LEU A 31 15.446 -0.623 -9.704 1.00 0.00 H new ATOM 0 HA LEU A 31 12.665 0.271 -9.258 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.075 -0.270 -11.892 1.00 0.00 H new ATOM 0 HB3 LEU A 31 12.333 -0.187 -11.728 1.00 0.00 H new ATOM 0 HG LEU A 31 12.993 1.910 -12.562 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.431 3.491 -10.759 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.362 2.068 -10.747 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.679 2.201 -9.557 1.00 0.00 H new ATOM 0 HD21 LEU A 31 14.762 3.295 -11.548 1.00 0.00 H new ATOM 0 HD22 LEU A 31 15.100 1.997 -10.377 1.00 0.00 H new ATOM 0 HD23 LEU A 31 15.392 1.729 -12.112 1.00 0.00 H new ATOM 506 N THR A 32 11.780 -2.078 -9.613 1.00 0.00 N ATOM 507 CA THR A 32 11.338 -3.463 -9.510 1.00 0.00 C ATOM 508 C THR A 32 11.285 -4.127 -10.881 1.00 0.00 C ATOM 509 O THR A 32 10.824 -3.529 -11.854 1.00 0.00 O ATOM 510 CB THR A 32 9.950 -3.563 -8.849 1.00 0.00 C ATOM 511 OG1 THR A 32 9.622 -2.325 -8.210 1.00 0.00 O ATOM 512 CG2 THR A 32 9.917 -4.691 -7.829 1.00 0.00 C ATOM 0 H THR A 32 11.029 -1.390 -9.552 1.00 0.00 H new ATOM 0 HA THR A 32 12.067 -3.981 -8.887 1.00 0.00 H new ATOM 0 HB THR A 32 9.216 -3.776 -9.626 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.652 -2.272 -8.077 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.927 -4.742 -7.375 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.139 -5.636 -8.325 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.661 -4.504 -7.055 1.00 0.00 H new ATOM 520 N LEU A 33 11.759 -5.366 -10.953 1.00 0.00 N ATOM 521 CA LEU A 33 11.765 -6.112 -12.206 1.00 0.00 C ATOM 522 C LEU A 33 10.408 -6.762 -12.459 1.00 0.00 C ATOM 523 O LEU A 33 9.824 -7.373 -11.563 1.00 0.00 O ATOM 524 CB LEU A 33 12.859 -7.181 -12.182 1.00 0.00 C ATOM 525 CG LEU A 33 13.064 -7.961 -13.481 1.00 0.00 C ATOM 526 CD1 LEU A 33 12.024 -9.062 -13.612 1.00 0.00 C ATOM 527 CD2 LEU A 33 13.008 -7.025 -14.679 1.00 0.00 C ATOM 0 H LEU A 33 12.144 -5.875 -10.158 1.00 0.00 H new ATOM 0 HA LEU A 33 11.969 -5.412 -13.016 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.801 -6.702 -11.917 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.628 -7.891 -11.388 1.00 0.00 H new ATOM 0 HG LEU A 33 14.050 -8.424 -13.453 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.186 -9.606 -14.542 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.113 -9.748 -12.770 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.027 -8.622 -13.618 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.156 -7.597 -15.595 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.036 -6.533 -14.711 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.792 -6.273 -14.590 1.00 0.00 H new ATOM 539 N LEU A 34 9.913 -6.628 -13.685 1.00 0.00 N ATOM 540 CA LEU A 34 8.626 -7.204 -14.057 1.00 0.00 C ATOM 541 C LEU A 34 8.797 -8.264 -15.141 1.00 0.00 C ATOM 542 O LEU A 34 8.084 -9.267 -15.160 1.00 0.00 O ATOM 543 CB LEU A 34 7.676 -6.109 -14.544 1.00 0.00 C ATOM 544 CG LEU A 34 6.850 -5.408 -13.465 1.00 0.00 C ATOM 545 CD1 LEU A 34 5.907 -6.393 -12.791 1.00 0.00 C ATOM 546 CD2 LEU A 34 7.761 -4.751 -12.439 1.00 0.00 C ATOM 0 H LEU A 34 10.384 -6.126 -14.438 1.00 0.00 H new ATOM 0 HA LEU A 34 8.200 -7.679 -13.174 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.262 -5.356 -15.071 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.991 -6.547 -15.270 1.00 0.00 H new ATOM 0 HG LEU A 34 6.251 -4.631 -13.940 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.327 -5.876 -12.026 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.231 -6.816 -13.534 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.486 -7.193 -12.329 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.156 -4.257 -11.679 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.386 -5.510 -11.969 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.395 -4.015 -12.934 1.00 0.00 H new ATOM 558 N ASN A 35 9.748 -8.035 -16.041 1.00 0.00 N ATOM 559 CA ASN A 35 10.014 -8.971 -17.127 1.00 0.00 C ATOM 560 C ASN A 35 11.481 -8.918 -17.544 1.00 0.00 C ATOM 561 O ASN A 35 12.014 -7.849 -17.841 1.00 0.00 O ATOM 562 CB ASN A 35 9.119 -8.658 -18.328 1.00 0.00 C ATOM 563 CG ASN A 35 8.283 -9.850 -18.751 1.00 0.00 C ATOM 564 OD1 ASN A 35 7.862 -10.654 -17.920 1.00 0.00 O ATOM 565 ND2 ASN A 35 8.038 -9.969 -20.051 1.00 0.00 N ATOM 0 H ASN A 35 10.347 -7.209 -16.040 1.00 0.00 H new ATOM 0 HA ASN A 35 9.793 -9.977 -16.769 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.461 -7.825 -18.080 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.738 -8.336 -19.165 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.481 -10.751 -20.395 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.407 -9.279 -20.705 1.00 0.00 H new ATOM 572 N SER A 36 12.127 -10.079 -17.563 1.00 0.00 N ATOM 573 CA SER A 36 13.533 -10.165 -17.941 1.00 0.00 C ATOM 574 C SER A 36 13.742 -11.222 -19.022 1.00 0.00 C ATOM 575 O SER A 36 14.781 -11.879 -19.072 1.00 0.00 O ATOM 576 CB SER A 36 14.392 -10.494 -16.718 1.00 0.00 C ATOM 577 OG SER A 36 14.229 -11.847 -16.329 1.00 0.00 O ATOM 0 H SER A 36 11.700 -10.973 -17.321 1.00 0.00 H new ATOM 0 HA SER A 36 13.836 -9.197 -18.340 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.441 -10.301 -16.944 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.118 -9.839 -15.891 1.00 0.00 H new ATOM 0 HG SER A 36 14.790 -12.032 -15.547 1.00 0.00 H new ATOM 583 N THR A 37 12.744 -11.379 -19.887 1.00 0.00 N ATOM 584 CA THR A 37 12.816 -12.355 -20.967 1.00 0.00 C ATOM 585 C THR A 37 13.963 -12.038 -21.919 1.00 0.00 C ATOM 586 O THR A 37 14.476 -12.922 -22.604 1.00 0.00 O ATOM 587 CB THR A 37 11.500 -12.407 -21.765 1.00 0.00 C ATOM 588 OG1 THR A 37 11.592 -13.396 -22.797 1.00 0.00 O ATOM 589 CG2 THR A 37 11.186 -11.052 -22.380 1.00 0.00 C ATOM 0 H THR A 37 11.877 -10.843 -19.860 1.00 0.00 H new ATOM 0 HA THR A 37 12.990 -13.326 -20.504 1.00 0.00 H new ATOM 0 HB THR A 37 10.695 -12.672 -21.079 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.751 -13.424 -23.299 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.252 -11.114 -22.939 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.088 -10.308 -21.590 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.993 -10.762 -23.053 1.00 0.00 H new ATOM 597 N ASN A 38 14.361 -10.770 -21.958 1.00 0.00 N ATOM 598 CA ASN A 38 15.448 -10.337 -22.827 1.00 0.00 C ATOM 599 C ASN A 38 16.721 -10.088 -22.024 1.00 0.00 C ATOM 600 O ASN A 38 16.703 -10.096 -20.793 1.00 0.00 O ATOM 601 CB ASN A 38 15.051 -9.065 -23.580 1.00 0.00 C ATOM 602 CG ASN A 38 15.678 -8.990 -24.959 1.00 0.00 C ATOM 603 OD1 ASN A 38 16.639 -8.252 -25.176 1.00 0.00 O ATOM 604 ND2 ASN A 38 15.135 -9.755 -25.898 1.00 0.00 N ATOM 0 H ASN A 38 13.947 -10.025 -21.398 1.00 0.00 H new ATOM 0 HA ASN A 38 15.643 -11.132 -23.546 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.966 -9.026 -23.675 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.352 -8.193 -22.999 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.514 -9.746 -26.845 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.339 -10.351 -25.673 1.00 0.00 H new ATOM 611 N LYS A 39 17.826 -9.868 -22.729 1.00 0.00 N ATOM 612 CA LYS A 39 19.108 -9.615 -22.083 1.00 0.00 C ATOM 613 C LYS A 39 19.591 -8.196 -22.368 1.00 0.00 C ATOM 614 O LYS A 39 20.352 -7.621 -21.590 1.00 0.00 O ATOM 615 CB LYS A 39 20.152 -10.626 -22.563 1.00 0.00 C ATOM 616 CG LYS A 39 20.315 -10.662 -24.073 1.00 0.00 C ATOM 617 CD LYS A 39 19.637 -11.880 -24.678 1.00 0.00 C ATOM 618 CE LYS A 39 18.708 -11.491 -25.817 1.00 0.00 C ATOM 619 NZ LYS A 39 18.085 -12.683 -26.456 1.00 0.00 N ATOM 0 H LYS A 39 17.859 -9.860 -23.748 1.00 0.00 H new ATOM 0 HA LYS A 39 18.972 -9.724 -21.007 1.00 0.00 H new ATOM 0 HB2 LYS A 39 21.113 -10.387 -22.108 1.00 0.00 H new ATOM 0 HB3 LYS A 39 19.872 -11.619 -22.212 1.00 0.00 H new ATOM 0 HG2 LYS A 39 19.892 -9.756 -24.507 1.00 0.00 H new ATOM 0 HG3 LYS A 39 21.375 -10.672 -24.325 1.00 0.00 H new ATOM 0 HD2 LYS A 39 20.393 -12.574 -25.045 1.00 0.00 H new ATOM 0 HD3 LYS A 39 19.071 -12.403 -23.907 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.927 -10.831 -25.439 1.00 0.00 H new ATOM 0 HE3 LYS A 39 19.266 -10.928 -26.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.459 -12.376 -27.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 18.829 -13.300 -26.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 17.531 -13.207 -25.748 1.00 0.00 H new ATOM 633 N ASP A 40 19.142 -7.637 -23.487 1.00 0.00 N ATOM 634 CA ASP A 40 19.526 -6.285 -23.873 1.00 0.00 C ATOM 635 C ASP A 40 18.731 -5.248 -23.085 1.00 0.00 C ATOM 636 O ASP A 40 19.267 -4.215 -22.684 1.00 0.00 O ATOM 637 CB ASP A 40 19.311 -6.079 -25.373 1.00 0.00 C ATOM 638 CG ASP A 40 20.184 -6.990 -26.214 1.00 0.00 C ATOM 639 OD1 ASP A 40 21.408 -7.025 -25.973 1.00 0.00 O ATOM 640 OD2 ASP A 40 19.642 -7.667 -27.113 1.00 0.00 O ATOM 0 H ASP A 40 18.512 -8.100 -24.142 1.00 0.00 H new ATOM 0 HA ASP A 40 20.584 -6.155 -23.645 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.264 -6.259 -25.615 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.523 -5.041 -25.628 1.00 0.00 H new ATOM 645 N TRP A 41 17.452 -5.531 -22.869 1.00 0.00 N ATOM 646 CA TRP A 41 16.583 -4.623 -22.130 1.00 0.00 C ATOM 647 C TRP A 41 15.684 -5.391 -21.167 1.00 0.00 C ATOM 648 O TRP A 41 15.268 -6.513 -21.454 1.00 0.00 O ATOM 649 CB TRP A 41 15.729 -3.801 -23.097 1.00 0.00 C ATOM 650 CG TRP A 41 16.532 -3.110 -24.158 1.00 0.00 C ATOM 651 CD1 TRP A 41 17.091 -3.682 -25.265 1.00 0.00 C ATOM 652 CD2 TRP A 41 16.867 -1.719 -24.209 1.00 0.00 C ATOM 653 NE1 TRP A 41 17.753 -2.729 -26.002 1.00 0.00 N ATOM 654 CE2 TRP A 41 17.630 -1.517 -25.376 1.00 0.00 C ATOM 655 CE3 TRP A 41 16.595 -0.624 -23.385 1.00 0.00 C ATOM 656 CZ2 TRP A 41 18.123 -0.266 -25.736 1.00 0.00 C ATOM 657 CZ3 TRP A 41 17.085 0.617 -23.743 1.00 0.00 C ATOM 658 CH2 TRP A 41 17.842 0.789 -24.910 1.00 0.00 C ATOM 0 H TRP A 41 16.994 -6.382 -23.195 1.00 0.00 H new ATOM 0 HA TRP A 41 17.214 -3.950 -21.550 1.00 0.00 H new ATOM 0 HB2 TRP A 41 14.999 -4.456 -23.573 1.00 0.00 H new ATOM 0 HB3 TRP A 41 15.169 -3.056 -22.532 1.00 0.00 H new ATOM 0 HD1 TRP A 41 17.023 -4.728 -25.523 1.00 0.00 H new ATOM 0 HE1 TRP A 41 18.255 -2.897 -26.874 1.00 0.00 H new ATOM 0 HE3 TRP A 41 16.012 -0.746 -22.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 18.706 -0.132 -26.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 16.881 1.470 -23.112 1.00 0.00 H new ATOM 0 HH2 TRP A 41 18.211 1.772 -25.162 1.00 0.00 H new ATOM 669 N TRP A 42 15.390 -4.781 -20.025 1.00 0.00 N ATOM 670 CA TRP A 42 14.540 -5.409 -19.020 1.00 0.00 C ATOM 671 C TRP A 42 13.348 -4.519 -18.681 1.00 0.00 C ATOM 672 O TRP A 42 13.443 -3.293 -18.731 1.00 0.00 O ATOM 673 CB TRP A 42 15.346 -5.706 -17.755 1.00 0.00 C ATOM 674 CG TRP A 42 16.549 -6.564 -18.005 1.00 0.00 C ATOM 675 CD1 TRP A 42 16.674 -7.546 -18.946 1.00 0.00 C ATOM 676 CD2 TRP A 42 17.795 -6.518 -17.302 1.00 0.00 C ATOM 677 NE1 TRP A 42 17.923 -8.113 -18.870 1.00 0.00 N ATOM 678 CE2 TRP A 42 18.631 -7.500 -17.871 1.00 0.00 C ATOM 679 CE3 TRP A 42 18.288 -5.742 -16.250 1.00 0.00 C ATOM 680 CZ2 TRP A 42 19.929 -7.724 -17.420 1.00 0.00 C ATOM 681 CZ3 TRP A 42 19.577 -5.966 -15.803 1.00 0.00 C ATOM 682 CH2 TRP A 42 20.385 -6.949 -16.388 1.00 0.00 C ATOM 0 H TRP A 42 15.727 -3.852 -19.772 1.00 0.00 H new ATOM 0 HA TRP A 42 14.164 -6.346 -19.432 1.00 0.00 H new ATOM 0 HB2 TRP A 42 15.666 -4.765 -17.308 1.00 0.00 H new ATOM 0 HB3 TRP A 42 14.700 -6.201 -17.029 1.00 0.00 H new ATOM 0 HD1 TRP A 42 15.904 -7.834 -19.647 1.00 0.00 H new ATOM 0 HE1 TRP A 42 18.267 -8.869 -19.462 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.673 -4.980 -15.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 20.554 -8.482 -17.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 19.967 -5.373 -14.989 1.00 0.00 H new ATOM 0 HH2 TRP A 42 21.388 -7.099 -16.017 1.00 0.00 H new ATOM 693 N LYS A 43 12.228 -5.144 -18.337 1.00 0.00 N ATOM 694 CA LYS A 43 11.017 -4.410 -17.988 1.00 0.00 C ATOM 695 C LYS A 43 10.974 -4.111 -16.493 1.00 0.00 C ATOM 696 O LYS A 43 10.944 -5.023 -15.668 1.00 0.00 O ATOM 697 CB LYS A 43 9.777 -5.208 -18.396 1.00 0.00 C ATOM 698 CG LYS A 43 8.469 -4.501 -18.082 1.00 0.00 C ATOM 699 CD LYS A 43 8.082 -3.530 -19.185 1.00 0.00 C ATOM 700 CE LYS A 43 6.797 -3.957 -19.878 1.00 0.00 C ATOM 701 NZ LYS A 43 6.882 -5.352 -20.393 1.00 0.00 N ATOM 0 H LYS A 43 12.133 -6.159 -18.292 1.00 0.00 H new ATOM 0 HA LYS A 43 11.026 -3.464 -18.529 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.822 -5.412 -19.466 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.791 -6.171 -17.886 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.678 -5.239 -17.951 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.562 -3.963 -17.139 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.956 -2.532 -18.765 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.888 -3.468 -19.916 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.964 -3.878 -19.179 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.586 -3.277 -20.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.196 -5.480 -21.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.842 -5.532 -20.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.668 -6.019 -19.625 1.00 0.00 H new ATOM 715 N VAL A 44 10.969 -2.826 -16.151 1.00 0.00 N ATOM 716 CA VAL A 44 10.927 -2.407 -14.756 1.00 0.00 C ATOM 717 C VAL A 44 9.725 -1.508 -14.488 1.00 0.00 C ATOM 718 O VAL A 44 9.164 -0.916 -15.410 1.00 0.00 O ATOM 719 CB VAL A 44 12.212 -1.659 -14.355 1.00 0.00 C ATOM 720 CG1 VAL A 44 13.406 -2.602 -14.370 1.00 0.00 C ATOM 721 CG2 VAL A 44 12.448 -0.473 -15.277 1.00 0.00 C ATOM 0 H VAL A 44 10.994 -2.058 -16.822 1.00 0.00 H new ATOM 0 HA VAL A 44 10.841 -3.313 -14.156 1.00 0.00 H new ATOM 0 HB VAL A 44 12.090 -1.282 -13.340 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.305 -2.056 -14.084 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.236 -3.415 -13.665 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.534 -3.011 -15.372 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.360 0.044 -14.979 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.549 -0.825 -16.304 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.604 0.213 -15.210 1.00 0.00 H new ATOM 731 N GLU A 45 9.336 -1.410 -13.221 1.00 0.00 N ATOM 732 CA GLU A 45 8.200 -0.583 -12.833 1.00 0.00 C ATOM 733 C GLU A 45 8.656 0.613 -12.002 1.00 0.00 C ATOM 734 O GLU A 45 9.113 0.459 -10.870 1.00 0.00 O ATOM 735 CB GLU A 45 7.185 -1.410 -12.041 1.00 0.00 C ATOM 736 CG GLU A 45 5.932 -0.637 -11.663 1.00 0.00 C ATOM 737 CD GLU A 45 4.778 -1.546 -11.287 1.00 0.00 C ATOM 738 OE1 GLU A 45 4.659 -1.894 -10.094 1.00 0.00 O ATOM 739 OE2 GLU A 45 3.992 -1.908 -12.188 1.00 0.00 O ATOM 0 H GLU A 45 9.791 -1.893 -12.446 1.00 0.00 H new ATOM 0 HA GLU A 45 7.726 -0.213 -13.742 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.900 -2.281 -12.630 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.661 -1.781 -11.133 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.156 0.025 -10.826 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.634 -0.004 -12.499 1.00 0.00 H new ATOM 746 N VAL A 46 8.528 1.807 -12.574 1.00 0.00 N ATOM 747 CA VAL A 46 8.926 3.030 -11.888 1.00 0.00 C ATOM 748 C VAL A 46 7.721 3.732 -11.272 1.00 0.00 C ATOM 749 O VAL A 46 6.575 3.364 -11.530 1.00 0.00 O ATOM 750 CB VAL A 46 9.640 4.004 -12.845 1.00 0.00 C ATOM 751 CG1 VAL A 46 10.843 3.333 -13.490 1.00 0.00 C ATOM 752 CG2 VAL A 46 8.673 4.514 -13.903 1.00 0.00 C ATOM 0 H VAL A 46 8.152 1.952 -13.511 1.00 0.00 H new ATOM 0 HA VAL A 46 9.617 2.738 -11.097 1.00 0.00 H new ATOM 0 HB VAL A 46 9.996 4.858 -12.268 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.335 4.036 -14.162 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.544 3.021 -12.716 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.514 2.461 -14.055 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.193 5.201 -14.571 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.286 3.673 -14.478 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.846 5.034 -13.420 1.00 0.00 H new ATOM 762 N LYS A 47 7.987 4.745 -10.455 1.00 0.00 N ATOM 763 CA LYS A 47 6.926 5.502 -9.802 1.00 0.00 C ATOM 764 C LYS A 47 6.869 6.930 -10.334 1.00 0.00 C ATOM 765 O LYS A 47 7.892 7.506 -10.703 1.00 0.00 O ATOM 766 CB LYS A 47 7.141 5.519 -8.287 1.00 0.00 C ATOM 767 CG LYS A 47 6.567 4.305 -7.578 1.00 0.00 C ATOM 768 CD LYS A 47 7.169 4.131 -6.193 1.00 0.00 C ATOM 769 CE LYS A 47 6.437 4.971 -5.158 1.00 0.00 C ATOM 770 NZ LYS A 47 6.915 4.689 -3.776 1.00 0.00 N ATOM 0 H LYS A 47 8.930 5.061 -10.229 1.00 0.00 H new ATOM 0 HA LYS A 47 5.977 5.013 -10.023 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.210 5.578 -8.081 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.686 6.419 -7.874 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.485 4.409 -7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.757 3.412 -8.173 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.127 3.080 -5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.221 4.414 -6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.578 6.028 -5.382 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.367 4.772 -5.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.392 5.281 -3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.757 3.686 -3.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.931 4.903 -3.710 1.00 0.00 H new ATOM 784 N ALA A 48 5.667 7.496 -10.370 1.00 0.00 N ATOM 785 CA ALA A 48 5.478 8.858 -10.853 1.00 0.00 C ATOM 786 C ALA A 48 4.584 9.656 -9.910 1.00 0.00 C ATOM 787 O ALA A 48 3.800 9.087 -9.150 1.00 0.00 O ATOM 788 CB ALA A 48 4.888 8.843 -12.256 1.00 0.00 C ATOM 0 H ALA A 48 4.810 7.032 -10.070 1.00 0.00 H new ATOM 0 HA ALA A 48 6.453 9.344 -10.885 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.752 9.867 -12.604 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.565 8.317 -12.930 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.924 8.334 -12.240 1.00 0.00 H new ATOM 794 N THR A 49 4.706 10.979 -9.964 1.00 0.00 N ATOM 795 CA THR A 49 3.911 11.855 -9.114 1.00 0.00 C ATOM 796 C THR A 49 3.387 13.054 -9.896 1.00 0.00 C ATOM 797 O THR A 49 4.163 13.859 -10.410 1.00 0.00 O ATOM 798 CB THR A 49 4.726 12.360 -7.909 1.00 0.00 C ATOM 799 OG1 THR A 49 5.423 11.269 -7.297 1.00 0.00 O ATOM 800 CG2 THR A 49 3.821 13.028 -6.884 1.00 0.00 C ATOM 0 H THR A 49 5.348 11.467 -10.588 1.00 0.00 H new ATOM 0 HA THR A 49 3.069 11.264 -8.753 1.00 0.00 H new ATOM 0 HB THR A 49 5.446 13.095 -8.269 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.940 11.599 -6.533 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.420 13.376 -6.042 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.314 13.876 -7.344 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.080 12.311 -6.530 1.00 0.00 H new ATOM 808 N ALA A 50 2.066 13.167 -9.983 1.00 0.00 N ATOM 809 CA ALA A 50 1.438 14.269 -10.701 1.00 0.00 C ATOM 810 C ALA A 50 0.022 14.520 -10.194 1.00 0.00 C ATOM 811 O ALA A 50 -0.635 13.613 -9.686 1.00 0.00 O ATOM 812 CB ALA A 50 1.423 13.984 -12.196 1.00 0.00 C ATOM 0 H ALA A 50 1.409 12.508 -9.565 1.00 0.00 H new ATOM 0 HA ALA A 50 2.025 15.169 -10.519 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.951 14.815 -12.720 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.446 13.863 -12.554 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.862 13.069 -12.386 1.00 0.00 H new ATOM 818 N ASN A 51 -0.441 15.758 -10.335 1.00 0.00 N ATOM 819 CA ASN A 51 -1.779 16.128 -9.889 1.00 0.00 C ATOM 820 C ASN A 51 -1.982 15.770 -8.420 1.00 0.00 C ATOM 821 O ASN A 51 -3.088 15.436 -7.998 1.00 0.00 O ATOM 822 CB ASN A 51 -2.836 15.429 -10.746 1.00 0.00 C ATOM 823 CG ASN A 51 -2.434 15.345 -12.206 1.00 0.00 C ATOM 824 OD1 ASN A 51 -2.385 16.355 -12.907 1.00 0.00 O ATOM 825 ND2 ASN A 51 -2.143 14.135 -12.670 1.00 0.00 N ATOM 0 H ASN A 51 0.090 16.521 -10.754 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.886 17.207 -10.000 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.006 14.424 -10.360 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.781 15.966 -10.662 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.865 14.016 -13.644 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.197 13.325 -12.052 1.00 0.00 H new ATOM 832 N GLY A 52 -0.904 15.843 -7.644 1.00 0.00 N ATOM 833 CA GLY A 52 -0.985 15.525 -6.231 1.00 0.00 C ATOM 834 C GLY A 52 -1.258 14.055 -5.982 1.00 0.00 C ATOM 835 O GLY A 52 -1.707 13.673 -4.901 1.00 0.00 O ATOM 0 H GLY A 52 0.023 16.117 -7.969 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.051 15.805 -5.745 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.774 16.121 -5.772 1.00 0.00 H new ATOM 839 N LYS A 53 -0.989 13.227 -6.986 1.00 0.00 N ATOM 840 CA LYS A 53 -1.209 11.790 -6.873 1.00 0.00 C ATOM 841 C LYS A 53 0.023 11.013 -7.329 1.00 0.00 C ATOM 842 O LYS A 53 0.840 11.520 -8.098 1.00 0.00 O ATOM 843 CB LYS A 53 -2.424 11.372 -7.703 1.00 0.00 C ATOM 844 CG LYS A 53 -3.048 10.062 -7.253 1.00 0.00 C ATOM 845 CD LYS A 53 -3.778 10.218 -5.930 1.00 0.00 C ATOM 846 CE LYS A 53 -5.208 10.694 -6.134 1.00 0.00 C ATOM 847 NZ LYS A 53 -5.893 10.963 -4.840 1.00 0.00 N ATOM 0 H LYS A 53 -0.618 13.527 -7.888 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.396 11.558 -5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.176 12.159 -7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.126 11.283 -8.748 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.744 9.709 -8.014 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.272 9.303 -7.154 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.783 9.265 -5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.243 10.929 -5.300 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.206 11.601 -6.739 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.766 9.941 -6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.865 11.285 -5.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.918 10.092 -4.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.376 11.700 -4.320 1.00 0.00 H new ATOM 861 N THR A 54 0.149 9.779 -6.851 1.00 0.00 N ATOM 862 CA THR A 54 1.280 8.933 -7.210 1.00 0.00 C ATOM 863 C THR A 54 0.822 7.706 -7.991 1.00 0.00 C ATOM 864 O THR A 54 -0.058 6.968 -7.547 1.00 0.00 O ATOM 865 CB THR A 54 2.055 8.473 -5.961 1.00 0.00 C ATOM 866 OG1 THR A 54 1.168 8.375 -4.842 1.00 0.00 O ATOM 867 CG2 THR A 54 3.184 9.440 -5.638 1.00 0.00 C ATOM 0 H THR A 54 -0.518 9.343 -6.214 1.00 0.00 H new ATOM 0 HA THR A 54 1.939 9.534 -7.837 1.00 0.00 H new ATOM 0 HB THR A 54 2.486 7.493 -6.168 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.669 8.080 -4.053 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.717 9.094 -4.752 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.874 9.489 -6.481 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.771 10.431 -5.449 1.00 0.00 H new ATOM 875 N TYR A 55 1.426 7.493 -9.155 1.00 0.00 N ATOM 876 CA TYR A 55 1.079 6.355 -9.999 1.00 0.00 C ATOM 877 C TYR A 55 2.333 5.690 -10.558 1.00 0.00 C ATOM 878 O TYR A 55 3.250 6.364 -11.025 1.00 0.00 O ATOM 879 CB TYR A 55 0.171 6.802 -11.145 1.00 0.00 C ATOM 880 CG TYR A 55 0.881 7.628 -12.194 1.00 0.00 C ATOM 881 CD1 TYR A 55 1.524 7.021 -13.266 1.00 0.00 C ATOM 882 CD2 TYR A 55 0.909 9.015 -12.113 1.00 0.00 C ATOM 883 CE1 TYR A 55 2.175 7.771 -14.226 1.00 0.00 C ATOM 884 CE2 TYR A 55 1.556 9.773 -13.069 1.00 0.00 C ATOM 885 CZ TYR A 55 2.188 9.147 -14.124 1.00 0.00 C ATOM 886 OH TYR A 55 2.835 9.899 -15.078 1.00 0.00 O ATOM 0 H TYR A 55 2.158 8.093 -9.536 1.00 0.00 H new ATOM 0 HA TYR A 55 0.547 5.628 -9.385 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.261 5.921 -11.620 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.656 7.382 -10.737 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.515 5.944 -13.350 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.416 9.509 -11.288 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.671 7.283 -15.052 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.567 10.850 -12.991 1.00 0.00 H new ATOM 0 HH TYR A 55 2.748 10.850 -14.859 1.00 0.00 H new ATOM 896 N GLU A 56 2.363 4.362 -10.507 1.00 0.00 N ATOM 897 CA GLU A 56 3.503 3.604 -11.009 1.00 0.00 C ATOM 898 C GLU A 56 3.314 3.246 -12.480 1.00 0.00 C ATOM 899 O GLU A 56 2.209 2.921 -12.914 1.00 0.00 O ATOM 900 CB GLU A 56 3.700 2.330 -10.184 1.00 0.00 C ATOM 901 CG GLU A 56 3.620 2.558 -8.684 1.00 0.00 C ATOM 902 CD GLU A 56 2.212 2.402 -8.144 1.00 0.00 C ATOM 903 OE1 GLU A 56 1.708 1.260 -8.121 1.00 0.00 O ATOM 904 OE2 GLU A 56 1.614 3.423 -7.745 1.00 0.00 O ATOM 0 H GLU A 56 1.611 3.789 -10.123 1.00 0.00 H new ATOM 0 HA GLU A 56 4.391 4.229 -10.917 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.944 1.600 -10.473 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.671 1.897 -10.426 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.279 1.853 -8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.985 3.559 -8.453 1.00 0.00 H new ATOM 911 N ARG A 57 4.401 3.310 -13.243 1.00 0.00 N ATOM 912 CA ARG A 57 4.355 2.995 -14.665 1.00 0.00 C ATOM 913 C ARG A 57 5.436 1.982 -15.033 1.00 0.00 C ATOM 914 O ARG A 57 6.539 2.012 -14.487 1.00 0.00 O ATOM 915 CB ARG A 57 4.529 4.267 -15.497 1.00 0.00 C ATOM 916 CG ARG A 57 5.765 5.072 -15.128 1.00 0.00 C ATOM 917 CD ARG A 57 5.700 6.482 -15.692 1.00 0.00 C ATOM 918 NE ARG A 57 5.916 6.505 -17.136 1.00 0.00 N ATOM 919 CZ ARG A 57 5.963 7.621 -17.855 1.00 0.00 C ATOM 920 NH1 ARG A 57 5.810 8.799 -17.266 1.00 0.00 N ATOM 921 NH2 ARG A 57 6.165 7.560 -19.165 1.00 0.00 N ATOM 0 H ARG A 57 5.324 3.577 -12.900 1.00 0.00 H new ATOM 0 HA ARG A 57 3.381 2.557 -14.883 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.583 3.997 -16.552 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.647 4.895 -15.374 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.861 5.117 -14.043 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.655 4.568 -15.506 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.728 6.919 -15.464 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.451 7.103 -15.203 1.00 0.00 H new ATOM 0 HE ARG A 57 6.037 5.615 -17.619 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.656 8.849 -16.259 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.846 9.655 -17.820 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.284 6.655 -19.621 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.201 8.418 -19.716 1.00 0.00 H new ATOM 935 N GLN A 58 5.110 1.087 -15.959 1.00 0.00 N ATOM 936 CA GLN A 58 6.053 0.064 -16.398 1.00 0.00 C ATOM 937 C GLN A 58 6.752 0.485 -17.686 1.00 0.00 C ATOM 938 O GLN A 58 6.127 1.033 -18.593 1.00 0.00 O ATOM 939 CB GLN A 58 5.331 -1.268 -16.607 1.00 0.00 C ATOM 940 CG GLN A 58 4.932 -1.954 -15.311 1.00 0.00 C ATOM 941 CD GLN A 58 3.967 -3.102 -15.531 1.00 0.00 C ATOM 942 OE1 GLN A 58 2.834 -3.078 -15.049 1.00 0.00 O ATOM 943 NE2 GLN A 58 4.412 -4.117 -16.263 1.00 0.00 N ATOM 0 H GLN A 58 4.201 1.049 -16.420 1.00 0.00 H new ATOM 0 HA GLN A 58 6.807 -0.058 -15.620 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.438 -1.097 -17.208 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.976 -1.936 -17.178 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.826 -2.327 -14.812 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.475 -1.223 -14.643 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.358 -4.095 -16.643 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.807 -4.918 -16.445 1.00 0.00 H new ATOM 952 N GLY A 59 8.054 0.226 -17.760 1.00 0.00 N ATOM 953 CA GLY A 59 8.817 0.585 -18.941 1.00 0.00 C ATOM 954 C GLY A 59 9.994 -0.341 -19.174 1.00 0.00 C ATOM 955 O GLY A 59 10.174 -1.323 -18.453 1.00 0.00 O ATOM 0 H GLY A 59 8.594 -0.226 -17.022 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.163 0.563 -19.813 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.178 1.608 -18.839 1.00 0.00 H new ATOM 959 N PHE A 60 10.799 -0.029 -20.185 1.00 0.00 N ATOM 960 CA PHE A 60 11.964 -0.841 -20.513 1.00 0.00 C ATOM 961 C PHE A 60 13.251 -0.039 -20.347 1.00 0.00 C ATOM 962 O PHE A 60 13.321 1.131 -20.726 1.00 0.00 O ATOM 963 CB PHE A 60 11.859 -1.366 -21.946 1.00 0.00 C ATOM 964 CG PHE A 60 10.588 -2.119 -22.217 1.00 0.00 C ATOM 965 CD1 PHE A 60 9.430 -1.446 -22.573 1.00 0.00 C ATOM 966 CD2 PHE A 60 10.551 -3.501 -22.115 1.00 0.00 C ATOM 967 CE1 PHE A 60 8.259 -2.136 -22.823 1.00 0.00 C ATOM 968 CE2 PHE A 60 9.383 -4.196 -22.365 1.00 0.00 C ATOM 969 CZ PHE A 60 8.235 -3.513 -22.718 1.00 0.00 C ATOM 0 H PHE A 60 10.665 0.781 -20.791 1.00 0.00 H new ATOM 0 HA PHE A 60 11.992 -1.686 -19.825 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.929 -0.527 -22.638 1.00 0.00 H new ATOM 0 HB3 PHE A 60 12.709 -2.018 -22.149 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.443 -0.369 -22.656 1.00 0.00 H new ATOM 0 HD2 PHE A 60 11.445 -4.040 -21.837 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.364 -1.599 -23.100 1.00 0.00 H new ATOM 0 HE2 PHE A 60 9.368 -5.273 -22.284 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.321 -4.055 -22.911 1.00 0.00 H new ATOM 979 N VAL A 61 14.269 -0.675 -19.776 1.00 0.00 N ATOM 980 CA VAL A 61 15.555 -0.022 -19.559 1.00 0.00 C ATOM 981 C VAL A 61 16.702 -0.881 -20.079 1.00 0.00 C ATOM 982 O VAL A 61 16.613 -2.107 -20.143 1.00 0.00 O ATOM 983 CB VAL A 61 15.787 0.277 -18.067 1.00 0.00 C ATOM 984 CG1 VAL A 61 14.782 1.303 -17.565 1.00 0.00 C ATOM 985 CG2 VAL A 61 15.709 -1.003 -17.248 1.00 0.00 C ATOM 0 H VAL A 61 14.228 -1.642 -19.455 1.00 0.00 H new ATOM 0 HA VAL A 61 15.530 0.918 -20.111 1.00 0.00 H new ATOM 0 HB VAL A 61 16.787 0.695 -17.950 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.962 1.502 -16.508 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.892 2.228 -18.132 1.00 0.00 H new ATOM 0 HG13 VAL A 61 13.771 0.916 -17.695 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.875 -0.772 -16.196 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.724 -1.453 -17.369 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.472 -1.702 -17.591 1.00 0.00 H new ATOM 995 N PRO A 62 17.808 -0.224 -20.459 1.00 0.00 N ATOM 996 CA PRO A 62 18.996 -0.908 -20.980 1.00 0.00 C ATOM 997 C PRO A 62 19.722 -1.706 -19.903 1.00 0.00 C ATOM 998 O PRO A 62 20.150 -1.154 -18.890 1.00 0.00 O ATOM 999 CB PRO A 62 19.876 0.241 -21.479 1.00 0.00 C ATOM 1000 CG PRO A 62 19.453 1.420 -20.673 1.00 0.00 C ATOM 1001 CD PRO A 62 17.984 1.237 -20.411 1.00 0.00 C ATOM 0 HA PRO A 62 18.743 -1.635 -21.752 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.934 0.021 -21.334 1.00 0.00 H new ATOM 0 HB3 PRO A 62 19.730 0.417 -22.545 1.00 0.00 H new ATOM 0 HG2 PRO A 62 20.012 1.475 -19.739 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.641 2.349 -21.212 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.695 1.645 -19.442 1.00 0.00 H new ATOM 0 HD3 PRO A 62 17.376 1.740 -21.163 1.00 0.00 H new ATOM 1009 N ALA A 63 19.859 -3.009 -20.130 1.00 0.00 N ATOM 1010 CA ALA A 63 20.537 -3.883 -19.180 1.00 0.00 C ATOM 1011 C ALA A 63 22.004 -3.497 -19.031 1.00 0.00 C ATOM 1012 O ALA A 63 22.681 -3.941 -18.103 1.00 0.00 O ATOM 1013 CB ALA A 63 20.412 -5.335 -19.618 1.00 0.00 C ATOM 0 H ALA A 63 19.509 -3.482 -20.963 1.00 0.00 H new ATOM 0 HA ALA A 63 20.057 -3.766 -18.208 1.00 0.00 H new ATOM 0 HB1 ALA A 63 20.923 -5.977 -18.900 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.359 -5.611 -19.667 1.00 0.00 H new ATOM 0 HB3 ALA A 63 20.865 -5.459 -20.602 1.00 0.00 H new ATOM 1019 N ALA A 64 22.491 -2.670 -19.950 1.00 0.00 N ATOM 1020 CA ALA A 64 23.879 -2.225 -19.919 1.00 0.00 C ATOM 1021 C ALA A 64 24.081 -1.130 -18.876 1.00 0.00 C ATOM 1022 O ALA A 64 25.197 -0.902 -18.410 1.00 0.00 O ATOM 1023 CB ALA A 64 24.306 -1.732 -21.293 1.00 0.00 C ATOM 0 H ALA A 64 21.945 -2.294 -20.725 1.00 0.00 H new ATOM 0 HA ALA A 64 24.501 -3.076 -19.641 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.344 -1.403 -21.255 1.00 0.00 H new ATOM 0 HB2 ALA A 64 24.208 -2.541 -22.017 1.00 0.00 H new ATOM 0 HB3 ALA A 64 23.672 -0.898 -21.594 1.00 0.00 H new ATOM 1029 N TYR A 65 22.995 -0.457 -18.515 1.00 0.00 N ATOM 1030 CA TYR A 65 23.053 0.616 -17.529 1.00 0.00 C ATOM 1031 C TYR A 65 22.511 0.149 -16.182 1.00 0.00 C ATOM 1032 O TYR A 65 22.867 0.689 -15.135 1.00 0.00 O ATOM 1033 CB TYR A 65 22.260 1.830 -18.017 1.00 0.00 C ATOM 1034 CG TYR A 65 22.869 2.504 -19.226 1.00 0.00 C ATOM 1035 CD1 TYR A 65 22.948 1.846 -20.447 1.00 0.00 C ATOM 1036 CD2 TYR A 65 23.363 3.800 -19.148 1.00 0.00 C ATOM 1037 CE1 TYR A 65 23.503 2.458 -21.554 1.00 0.00 C ATOM 1038 CE2 TYR A 65 23.919 4.421 -20.250 1.00 0.00 C ATOM 1039 CZ TYR A 65 23.987 3.745 -21.450 1.00 0.00 C ATOM 1040 OH TYR A 65 24.540 4.359 -22.551 1.00 0.00 O ATOM 0 H TYR A 65 22.063 -0.635 -18.890 1.00 0.00 H new ATOM 0 HA TYR A 65 24.098 0.900 -17.401 1.00 0.00 H new ATOM 0 HB2 TYR A 65 21.244 1.517 -18.259 1.00 0.00 H new ATOM 0 HB3 TYR A 65 22.185 2.555 -17.206 1.00 0.00 H new ATOM 0 HD1 TYR A 65 22.569 0.838 -20.532 1.00 0.00 H new ATOM 0 HD2 TYR A 65 23.312 4.332 -18.209 1.00 0.00 H new ATOM 0 HE1 TYR A 65 23.558 1.932 -22.495 1.00 0.00 H new ATOM 0 HE2 TYR A 65 24.298 5.429 -20.172 1.00 0.00 H new ATOM 0 HH TYR A 65 24.831 5.263 -22.310 1.00 0.00 H new ATOM 1050 N VAL A 66 21.647 -0.861 -16.217 1.00 0.00 N ATOM 1051 CA VAL A 66 21.056 -1.404 -15.000 1.00 0.00 C ATOM 1052 C VAL A 66 21.509 -2.840 -14.763 1.00 0.00 C ATOM 1053 O VAL A 66 21.875 -3.551 -15.699 1.00 0.00 O ATOM 1054 CB VAL A 66 19.517 -1.366 -15.058 1.00 0.00 C ATOM 1055 CG1 VAL A 66 19.032 0.023 -15.442 1.00 0.00 C ATOM 1056 CG2 VAL A 66 18.996 -2.411 -16.034 1.00 0.00 C ATOM 0 H VAL A 66 21.341 -1.319 -17.075 1.00 0.00 H new ATOM 0 HA VAL A 66 21.397 -0.777 -14.176 1.00 0.00 H new ATOM 0 HB VAL A 66 19.126 -1.600 -14.068 1.00 0.00 H new ATOM 0 HG11 VAL A 66 17.943 0.031 -15.478 1.00 0.00 H new ATOM 0 HG12 VAL A 66 19.376 0.746 -14.702 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.429 0.289 -16.421 1.00 0.00 H new ATOM 0 HG21 VAL A 66 17.907 -2.371 -16.063 1.00 0.00 H new ATOM 0 HG22 VAL A 66 19.393 -2.210 -17.029 1.00 0.00 H new ATOM 0 HG23 VAL A 66 19.314 -3.402 -15.710 1.00 0.00 H new ATOM 1066 N LYS A 67 21.483 -3.262 -13.503 1.00 0.00 N ATOM 1067 CA LYS A 67 21.890 -4.615 -13.140 1.00 0.00 C ATOM 1068 C LYS A 67 21.066 -5.134 -11.966 1.00 0.00 C ATOM 1069 O LYS A 67 20.939 -4.466 -10.939 1.00 0.00 O ATOM 1070 CB LYS A 67 23.378 -4.645 -12.785 1.00 0.00 C ATOM 1071 CG LYS A 67 23.823 -5.944 -12.136 1.00 0.00 C ATOM 1072 CD LYS A 67 25.326 -6.138 -12.249 1.00 0.00 C ATOM 1073 CE LYS A 67 26.077 -5.264 -11.257 1.00 0.00 C ATOM 1074 NZ LYS A 67 26.084 -5.855 -9.891 1.00 0.00 N ATOM 0 H LYS A 67 21.184 -2.686 -12.716 1.00 0.00 H new ATOM 0 HA LYS A 67 21.715 -5.263 -13.999 1.00 0.00 H new ATOM 0 HB2 LYS A 67 23.962 -4.483 -13.691 1.00 0.00 H new ATOM 0 HB3 LYS A 67 23.599 -3.818 -12.111 1.00 0.00 H new ATOM 0 HG2 LYS A 67 23.533 -5.945 -11.085 1.00 0.00 H new ATOM 0 HG3 LYS A 67 23.311 -6.782 -12.609 1.00 0.00 H new ATOM 0 HD2 LYS A 67 25.573 -7.185 -12.073 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.649 -5.900 -13.262 1.00 0.00 H new ATOM 0 HE2 LYS A 67 27.103 -5.127 -11.598 1.00 0.00 H new ATOM 0 HE3 LYS A 67 25.617 -4.276 -11.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 26.606 -5.229 -9.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 25.106 -5.963 -9.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 26.545 -6.787 -9.918 1.00 0.00 H new ATOM 1088 N LYS A 68 20.509 -6.330 -12.123 1.00 0.00 N ATOM 1089 CA LYS A 68 19.699 -6.941 -11.075 1.00 0.00 C ATOM 1090 C LYS A 68 20.559 -7.318 -9.874 1.00 0.00 C ATOM 1091 O LYS A 68 21.727 -7.682 -10.023 1.00 0.00 O ATOM 1092 CB LYS A 68 18.983 -8.182 -11.614 1.00 0.00 C ATOM 1093 CG LYS A 68 19.929 -9.267 -12.099 1.00 0.00 C ATOM 1094 CD LYS A 68 19.328 -10.056 -13.250 1.00 0.00 C ATOM 1095 CE LYS A 68 18.230 -10.993 -12.770 1.00 0.00 C ATOM 1096 NZ LYS A 68 18.785 -12.259 -12.215 1.00 0.00 N ATOM 0 H LYS A 68 20.604 -6.896 -12.966 1.00 0.00 H new ATOM 0 HA LYS A 68 18.956 -6.212 -10.752 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.345 -8.592 -10.831 1.00 0.00 H new ATOM 0 HB3 LYS A 68 18.330 -7.887 -12.436 1.00 0.00 H new ATOM 0 HG2 LYS A 68 20.869 -8.816 -12.417 1.00 0.00 H new ATOM 0 HG3 LYS A 68 20.162 -9.943 -11.276 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.922 -9.368 -13.992 1.00 0.00 H new ATOM 0 HD3 LYS A 68 20.110 -10.633 -13.744 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.633 -10.493 -12.007 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.560 -11.223 -13.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.017 -12.818 -11.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.232 -12.806 -12.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.494 -12.038 -11.487 1.00 0.00 H new ATOM 1110 N LEU A 69 19.976 -7.232 -8.683 1.00 0.00 N ATOM 1111 CA LEU A 69 20.689 -7.566 -7.455 1.00 0.00 C ATOM 1112 C LEU A 69 20.250 -8.927 -6.924 1.00 0.00 C ATOM 1113 O LEU A 69 19.923 -9.069 -5.746 1.00 0.00 O ATOM 1114 CB LEU A 69 20.449 -6.491 -6.394 1.00 0.00 C ATOM 1115 CG LEU A 69 21.010 -5.103 -6.707 1.00 0.00 C ATOM 1116 CD1 LEU A 69 22.440 -5.206 -7.213 1.00 0.00 C ATOM 1117 CD2 LEU A 69 20.132 -4.390 -7.726 1.00 0.00 C ATOM 0 H LEU A 69 19.011 -6.934 -8.542 1.00 0.00 H new ATOM 0 HA LEU A 69 21.754 -7.611 -7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 69 19.375 -6.399 -6.235 1.00 0.00 H new ATOM 0 HB3 LEU A 69 20.883 -6.833 -5.454 1.00 0.00 H new ATOM 0 HG LEU A 69 21.013 -4.518 -5.787 1.00 0.00 H new ATOM 0 HD11 LEU A 69 22.822 -4.208 -7.430 1.00 0.00 H new ATOM 0 HD12 LEU A 69 23.063 -5.675 -6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.462 -5.809 -8.121 1.00 0.00 H new ATOM 0 HD21 LEU A 69 20.546 -3.404 -7.937 1.00 0.00 H new ATOM 0 HD22 LEU A 69 20.096 -4.973 -8.646 1.00 0.00 H new ATOM 0 HD23 LEU A 69 19.124 -4.282 -7.325 1.00 0.00 H new ATOM 1129 N ASP A 70 20.247 -9.925 -7.801 1.00 0.00 N ATOM 1130 CA ASP A 70 19.852 -11.276 -7.420 1.00 0.00 C ATOM 1131 C ASP A 70 20.822 -11.858 -6.396 1.00 0.00 C ATOM 1132 O ASP A 70 20.439 -12.677 -5.559 1.00 0.00 O ATOM 1133 CB ASP A 70 19.790 -12.179 -8.652 1.00 0.00 C ATOM 1134 CG ASP A 70 19.366 -13.595 -8.313 1.00 0.00 C ATOM 1135 OD1 ASP A 70 20.209 -14.360 -7.801 1.00 0.00 O ATOM 1136 OD2 ASP A 70 18.190 -13.938 -8.559 1.00 0.00 O ATOM 0 H ASP A 70 20.514 -9.824 -8.780 1.00 0.00 H new ATOM 0 HA ASP A 70 18.862 -11.224 -6.967 1.00 0.00 H new ATOM 0 HB2 ASP A 70 19.091 -11.757 -9.373 1.00 0.00 H new ATOM 0 HB3 ASP A 70 20.768 -12.201 -9.132 1.00 0.00 H new TER 1141 ASP A 70