USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 510 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+ 151:sc= 0.0358 (180deg=0) 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 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.552 USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.55 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0689 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0.0058) USER MOD Single : A 36 SER OG : rot 35:sc= 0.285 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.535 USER MOD Single : A 38 ASN : amide:sc= -0.401 X(o=-0.4,f=-0.37) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0.0028) USER MOD Single : A 50 GLN : amide:sc= -0.18 K(o=-0.18,f=-1.1!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.114) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.893 0.706 -0.108 1.00 1.21 N ATOM 2 CA MET A 1 -4.629 2.113 -0.386 1.00 53.31 C ATOM 3 C MET A 1 -3.303 2.283 -1.120 1.00 1.20 C ATOM 4 O MET A 1 -2.402 1.453 -0.994 1.00 54.21 O ATOM 5 CB MET A 1 -4.613 2.918 0.915 1.00 45.01 C ATOM 6 CG MET A 1 -5.933 3.605 1.222 1.00 53.14 C ATOM 7 SD MET A 1 -6.544 3.229 2.876 1.00 73.12 S ATOM 8 CE MET A 1 -7.438 4.733 3.257 1.00 54.42 C ATOM 0 H1 MET A 1 -5.469 0.625 0.754 1.00 1.21 H new ATOM 0 H2 MET A 1 -5.406 0.284 -0.908 1.00 1.21 H new ATOM 0 H3 MET A 1 -3.992 0.204 0.029 1.00 1.21 H new ATOM 0 HA MET A 1 -5.428 2.487 -1.026 1.00 53.31 H new ATOM 0 HB2 MET A 1 -4.358 2.253 1.741 1.00 45.01 H new ATOM 0 HB3 MET A 1 -3.826 3.670 0.857 1.00 45.01 H new ATOM 0 HG2 MET A 1 -5.809 4.683 1.121 1.00 53.14 H new ATOM 0 HG3 MET A 1 -6.677 3.300 0.486 1.00 53.14 H new ATOM 0 HE1 MET A 1 -7.875 4.654 4.252 1.00 54.42 H new ATOM 0 HE2 MET A 1 -6.753 5.581 3.228 1.00 54.42 H new ATOM 0 HE3 MET A 1 -8.230 4.881 2.523 1.00 54.42 H new ATOM 18 N ASP A 2 -3.190 3.363 -1.886 1.00 21.41 N ATOM 19 CA ASP A 2 -1.973 3.641 -2.639 1.00 42.45 C ATOM 20 C ASP A 2 -1.729 5.144 -2.741 1.00 61.22 C ATOM 21 O ASP A 2 -2.669 5.938 -2.711 1.00 65.32 O ATOM 22 CB ASP A 2 -2.063 3.031 -4.039 1.00 22.21 C ATOM 23 CG ASP A 2 -2.939 3.845 -4.970 1.00 72.24 C ATOM 24 OD1 ASP A 2 -3.947 4.410 -4.495 1.00 64.11 O ATOM 25 OD2 ASP A 2 -2.617 3.918 -6.175 1.00 32.44 O ATOM 0 H ASP A 2 -3.926 4.060 -2.002 1.00 21.41 H new ATOM 0 HA ASP A 2 -1.135 3.190 -2.108 1.00 42.45 H new ATOM 0 HB2 ASP A 2 -1.062 2.953 -4.463 1.00 22.21 H new ATOM 0 HB3 ASP A 2 -2.459 2.018 -3.966 1.00 22.21 H new ATOM 30 N GLU A 3 -0.461 5.526 -2.861 1.00 31.35 N ATOM 31 CA GLU A 3 -0.095 6.933 -2.965 1.00 4.34 C ATOM 32 C GLU A 3 1.123 7.113 -3.867 1.00 10.24 C ATOM 33 O GLU A 3 1.554 6.178 -4.542 1.00 24.24 O ATOM 34 CB GLU A 3 0.194 7.512 -1.578 1.00 24.22 C ATOM 35 CG GLU A 3 -0.440 8.872 -1.341 1.00 51.04 C ATOM 36 CD GLU A 3 0.215 9.632 -0.204 1.00 61.43 C ATOM 37 OE1 GLU A 3 1.155 9.086 0.411 1.00 41.25 O ATOM 38 OE2 GLU A 3 -0.213 10.772 0.070 1.00 2.44 O ATOM 0 H GLU A 3 0.329 4.881 -2.889 1.00 31.35 H new ATOM 0 HA GLU A 3 -0.935 7.469 -3.407 1.00 4.34 H new ATOM 0 HB2 GLU A 3 -0.167 6.816 -0.821 1.00 24.22 H new ATOM 0 HB3 GLU A 3 1.273 7.596 -1.446 1.00 24.22 H new ATOM 0 HG2 GLU A 3 -0.373 9.464 -2.254 1.00 51.04 H new ATOM 0 HG3 GLU A 3 -1.500 8.741 -1.122 1.00 51.04 H new ATOM 45 N THR A 4 1.673 8.323 -3.874 1.00 4.43 N ATOM 46 CA THR A 4 2.840 8.628 -4.693 1.00 75.11 C ATOM 47 C THR A 4 4.004 9.108 -3.835 1.00 24.21 C ATOM 48 O THR A 4 4.187 10.308 -3.634 1.00 62.40 O ATOM 49 CB THR A 4 2.519 9.702 -5.750 1.00 33.22 C ATOM 50 OG1 THR A 4 1.446 10.533 -5.293 1.00 74.15 O ATOM 51 CG2 THR A 4 2.141 9.060 -7.076 1.00 71.12 C ATOM 0 H THR A 4 1.329 9.108 -3.321 1.00 4.43 H new ATOM 0 HA THR A 4 3.122 7.704 -5.198 1.00 75.11 H new ATOM 0 HB THR A 4 3.411 10.311 -5.901 1.00 33.22 H new ATOM 0 HG1 THR A 4 1.249 11.214 -5.969 1.00 74.15 H new ATOM 0 HG21 THR A 4 1.919 9.838 -7.807 1.00 71.12 H new ATOM 0 HG22 THR A 4 2.971 8.451 -7.435 1.00 71.12 H new ATOM 0 HG23 THR A 4 1.262 8.430 -6.938 1.00 71.12 H new ATOM 59 N GLY A 5 4.791 8.162 -3.331 1.00 23.13 N ATOM 60 CA GLY A 5 5.930 8.509 -2.500 1.00 74.21 C ATOM 61 C GLY A 5 6.608 7.290 -1.908 1.00 21.52 C ATOM 62 O GLY A 5 7.736 6.959 -2.273 1.00 25.43 O ATOM 0 H GLY A 5 4.660 7.162 -3.483 1.00 23.13 H new ATOM 0 HA2 GLY A 5 6.652 9.070 -3.094 1.00 74.21 H new ATOM 0 HA3 GLY A 5 5.601 9.165 -1.694 1.00 74.21 H new ATOM 66 N LYS A 6 5.920 6.619 -0.989 1.00 44.44 N ATOM 67 CA LYS A 6 6.463 5.430 -0.344 1.00 34.21 C ATOM 68 C LYS A 6 6.300 4.204 -1.237 1.00 41.12 C ATOM 69 O LYS A 6 5.185 3.842 -1.612 1.00 24.24 O ATOM 70 CB LYS A 6 5.768 5.191 0.999 1.00 54.35 C ATOM 71 CG LYS A 6 6.317 4.000 1.765 1.00 53.33 C ATOM 72 CD LYS A 6 7.643 4.328 2.430 1.00 52.51 C ATOM 73 CE LYS A 6 8.081 3.221 3.376 1.00 13.33 C ATOM 74 NZ LYS A 6 8.826 2.146 2.665 1.00 30.00 N ATOM 0 H LYS A 6 4.985 6.879 -0.675 1.00 44.44 H new ATOM 0 HA LYS A 6 7.527 5.594 -0.172 1.00 34.21 H new ATOM 0 HB2 LYS A 6 5.868 6.085 1.614 1.00 54.35 H new ATOM 0 HB3 LYS A 6 4.702 5.041 0.825 1.00 54.35 H new ATOM 0 HG2 LYS A 6 5.596 3.689 2.522 1.00 53.33 H new ATOM 0 HG3 LYS A 6 6.448 3.158 1.085 1.00 53.33 H new ATOM 0 HD2 LYS A 6 8.406 4.479 1.667 1.00 52.51 H new ATOM 0 HD3 LYS A 6 7.553 5.264 2.981 1.00 52.51 H new ATOM 0 HE2 LYS A 6 8.711 3.641 4.160 1.00 13.33 H new ATOM 0 HE3 LYS A 6 7.206 2.794 3.865 1.00 13.33 H new ATOM 0 HZ1 LYS A 6 9.107 1.411 3.345 1.00 30.00 H new ATOM 0 HZ2 LYS A 6 8.217 1.727 1.933 1.00 30.00 H new ATOM 0 HZ3 LYS A 6 9.675 2.548 2.220 1.00 30.00 H new ATOM 88 N GLU A 7 7.419 3.570 -1.573 1.00 60.24 N ATOM 89 CA GLU A 7 7.399 2.384 -2.422 1.00 52.43 C ATOM 90 C GLU A 7 6.888 2.724 -3.819 1.00 51.44 C ATOM 91 O GLU A 7 6.548 1.836 -4.602 1.00 32.21 O ATOM 92 CB GLU A 7 6.522 1.297 -1.797 1.00 51.33 C ATOM 93 CG GLU A 7 7.242 -0.026 -1.598 1.00 41.21 C ATOM 94 CD GLU A 7 6.860 -0.708 -0.299 1.00 72.31 C ATOM 95 OE1 GLU A 7 7.276 -0.221 0.773 1.00 71.24 O ATOM 96 OE2 GLU A 7 6.144 -1.730 -0.355 1.00 72.10 O ATOM 0 H GLU A 7 8.350 3.857 -1.271 1.00 60.24 H new ATOM 0 HA GLU A 7 8.420 2.012 -2.508 1.00 52.43 H new ATOM 0 HB2 GLU A 7 6.153 1.649 -0.834 1.00 51.33 H new ATOM 0 HB3 GLU A 7 5.651 1.135 -2.432 1.00 51.33 H new ATOM 0 HG2 GLU A 7 7.014 -0.689 -2.433 1.00 41.21 H new ATOM 0 HG3 GLU A 7 8.318 0.145 -1.612 1.00 41.21 H new ATOM 103 N LEU A 8 6.836 4.016 -4.126 1.00 21.12 N ATOM 104 CA LEU A 8 6.366 4.475 -5.428 1.00 44.13 C ATOM 105 C LEU A 8 7.296 5.542 -5.997 1.00 62.15 C ATOM 106 O LEU A 8 8.035 6.194 -5.260 1.00 0.22 O ATOM 107 CB LEU A 8 4.945 5.030 -5.314 1.00 23.55 C ATOM 108 CG LEU A 8 3.814 4.035 -5.575 1.00 33.13 C ATOM 109 CD1 LEU A 8 3.921 3.461 -6.979 1.00 22.32 C ATOM 110 CD2 LEU A 8 3.833 2.921 -4.538 1.00 53.11 C ATOM 0 H LEU A 8 7.114 4.764 -3.491 1.00 21.12 H new ATOM 0 HA LEU A 8 6.363 3.622 -6.106 1.00 44.13 H new ATOM 0 HB2 LEU A 8 4.816 5.442 -4.313 1.00 23.55 H new ATOM 0 HB3 LEU A 8 4.842 5.858 -6.015 1.00 23.55 H new ATOM 0 HG LEU A 8 2.865 4.564 -5.493 1.00 33.13 H new ATOM 0 HD11 LEU A 8 3.108 2.755 -7.146 1.00 22.32 H new ATOM 0 HD12 LEU A 8 3.856 4.269 -7.708 1.00 22.32 H new ATOM 0 HD13 LEU A 8 4.876 2.947 -7.090 1.00 22.32 H new ATOM 0 HD21 LEU A 8 3.021 2.222 -4.740 1.00 53.11 H new ATOM 0 HD22 LEU A 8 4.786 2.394 -4.588 1.00 53.11 H new ATOM 0 HD23 LEU A 8 3.706 3.348 -3.543 1.00 53.11 H new ATOM 122 N VAL A 9 7.253 5.716 -7.315 1.00 30.33 N ATOM 123 CA VAL A 9 8.089 6.706 -7.983 1.00 30.20 C ATOM 124 C VAL A 9 7.246 7.661 -8.821 1.00 24.11 C ATOM 125 O VAL A 9 6.298 7.247 -9.489 1.00 64.35 O ATOM 126 CB VAL A 9 9.138 6.035 -8.889 1.00 63.30 C ATOM 127 CG1 VAL A 9 9.948 5.014 -8.104 1.00 0.45 C ATOM 128 CG2 VAL A 9 8.467 5.385 -10.090 1.00 24.12 C ATOM 0 H VAL A 9 6.648 5.184 -7.940 1.00 30.33 H new ATOM 0 HA VAL A 9 8.601 7.268 -7.202 1.00 30.20 H new ATOM 0 HB VAL A 9 9.821 6.802 -9.254 1.00 63.30 H new ATOM 0 HG11 VAL A 9 10.684 4.550 -8.761 1.00 0.45 H new ATOM 0 HG12 VAL A 9 10.460 5.511 -7.280 1.00 0.45 H new ATOM 0 HG13 VAL A 9 9.282 4.248 -7.708 1.00 0.45 H new ATOM 0 HG21 VAL A 9 9.223 4.916 -10.719 1.00 24.12 H new ATOM 0 HG22 VAL A 9 7.760 4.629 -9.747 1.00 24.12 H new ATOM 0 HG23 VAL A 9 7.936 6.144 -10.665 1.00 24.12 H new ATOM 138 N LEU A 10 7.598 8.941 -8.781 1.00 50.30 N ATOM 139 CA LEU A 10 6.874 9.957 -9.538 1.00 4.35 C ATOM 140 C LEU A 10 7.546 10.216 -10.883 1.00 35.53 C ATOM 141 O LEU A 10 8.678 10.694 -10.941 1.00 31.21 O ATOM 142 CB LEU A 10 6.795 11.258 -8.736 1.00 61.13 C ATOM 143 CG LEU A 10 5.545 12.109 -8.961 1.00 1.52 C ATOM 144 CD1 LEU A 10 5.435 12.522 -10.421 1.00 21.45 C ATOM 145 CD2 LEU A 10 4.299 11.354 -8.523 1.00 21.43 C ATOM 0 H LEU A 10 8.380 9.300 -8.233 1.00 50.30 H new ATOM 0 HA LEU A 10 5.865 9.588 -9.722 1.00 4.35 H new ATOM 0 HB2 LEU A 10 6.857 11.012 -7.676 1.00 61.13 H new ATOM 0 HB3 LEU A 10 7.670 11.863 -8.975 1.00 61.13 H new ATOM 0 HG LEU A 10 5.630 13.011 -8.355 1.00 1.52 H new ATOM 0 HD11 LEU A 10 4.539 13.127 -10.562 1.00 21.45 H new ATOM 0 HD12 LEU A 10 6.313 13.103 -10.702 1.00 21.45 H new ATOM 0 HD13 LEU A 10 5.374 11.632 -11.047 1.00 21.45 H new ATOM 0 HD21 LEU A 10 3.419 11.975 -8.691 1.00 21.43 H new ATOM 0 HD22 LEU A 10 4.209 10.434 -9.101 1.00 21.43 H new ATOM 0 HD23 LEU A 10 4.375 11.111 -7.463 1.00 21.43 H new ATOM 157 N ALA A 11 6.838 9.897 -11.962 1.00 0.41 N ATOM 158 CA ALA A 11 7.363 10.099 -13.306 1.00 64.15 C ATOM 159 C ALA A 11 7.218 11.554 -13.740 1.00 64.43 C ATOM 160 O ALA A 11 6.129 12.125 -13.678 1.00 0.23 O ATOM 161 CB ALA A 11 6.658 9.179 -14.292 1.00 52.31 C ATOM 0 H ALA A 11 5.900 9.498 -11.931 1.00 0.41 H new ATOM 0 HA ALA A 11 8.425 9.855 -13.294 1.00 64.15 H new ATOM 0 HB1 ALA A 11 7.060 9.341 -15.292 1.00 52.31 H new ATOM 0 HB2 ALA A 11 6.818 8.141 -14.000 1.00 52.31 H new ATOM 0 HB3 ALA A 11 5.590 9.395 -14.291 1.00 52.31 H new ATOM 167 N LEU A 12 8.322 12.148 -14.179 1.00 63.13 N ATOM 168 CA LEU A 12 8.318 13.538 -14.623 1.00 62.53 C ATOM 169 C LEU A 12 8.212 13.623 -16.143 1.00 4.54 C ATOM 170 O LEU A 12 7.642 14.572 -16.683 1.00 22.33 O ATOM 171 CB LEU A 12 9.586 14.249 -14.148 1.00 1.10 C ATOM 172 CG LEU A 12 9.379 15.416 -13.182 1.00 53.42 C ATOM 173 CD1 LEU A 12 8.713 16.585 -13.892 1.00 71.14 C ATOM 174 CD2 LEU A 12 8.551 14.976 -11.984 1.00 14.32 C ATOM 0 H LEU A 12 9.231 11.689 -14.237 1.00 63.13 H new ATOM 0 HA LEU A 12 7.448 14.031 -14.188 1.00 62.53 H new ATOM 0 HB2 LEU A 12 10.231 13.515 -13.666 1.00 1.10 H new ATOM 0 HB3 LEU A 12 10.121 14.618 -15.023 1.00 1.10 H new ATOM 0 HG LEU A 12 10.355 15.743 -12.824 1.00 53.42 H new ATOM 0 HD11 LEU A 12 8.574 17.406 -13.189 1.00 71.14 H new ATOM 0 HD12 LEU A 12 9.344 16.917 -14.717 1.00 71.14 H new ATOM 0 HD13 LEU A 12 7.744 16.271 -14.280 1.00 71.14 H new ATOM 0 HD21 LEU A 12 8.414 15.819 -11.307 1.00 14.32 H new ATOM 0 HD22 LEU A 12 7.578 14.622 -12.325 1.00 14.32 H new ATOM 0 HD23 LEU A 12 9.067 14.171 -11.461 1.00 14.32 H new ATOM 186 N TYR A 13 8.763 12.627 -16.826 1.00 24.41 N ATOM 187 CA TYR A 13 8.731 12.589 -18.283 1.00 43.42 C ATOM 188 C TYR A 13 9.424 11.337 -18.812 1.00 20.04 C ATOM 189 O TYR A 13 10.597 11.373 -19.185 1.00 55.43 O ATOM 190 CB TYR A 13 9.400 13.838 -18.861 1.00 31.10 C ATOM 191 CG TYR A 13 8.423 14.828 -19.454 1.00 45.13 C ATOM 192 CD1 TYR A 13 7.504 14.435 -20.419 1.00 21.32 C ATOM 193 CD2 TYR A 13 8.420 16.157 -19.049 1.00 53.44 C ATOM 194 CE1 TYR A 13 6.611 15.336 -20.964 1.00 52.31 C ATOM 195 CE2 TYR A 13 7.529 17.066 -19.588 1.00 60.41 C ATOM 196 CZ TYR A 13 6.627 16.650 -20.545 1.00 50.44 C ATOM 197 OH TYR A 13 5.738 17.551 -21.085 1.00 52.31 O ATOM 0 H TYR A 13 9.238 11.834 -16.394 1.00 24.41 H new ATOM 0 HA TYR A 13 7.688 12.564 -18.597 1.00 43.42 H new ATOM 0 HB2 TYR A 13 9.972 14.331 -18.075 1.00 31.10 H new ATOM 0 HB3 TYR A 13 10.111 13.536 -19.630 1.00 31.10 H new ATOM 0 HD1 TYR A 13 7.488 13.407 -20.749 1.00 21.32 H new ATOM 0 HD2 TYR A 13 9.126 16.485 -18.300 1.00 53.44 H new ATOM 0 HE1 TYR A 13 5.904 15.014 -21.714 1.00 52.31 H new ATOM 0 HE2 TYR A 13 7.539 18.096 -19.262 1.00 60.41 H new ATOM 0 HH TYR A 13 5.880 18.433 -20.682 1.00 52.31 H new ATOM 207 N ASP A 14 8.690 10.230 -18.840 1.00 12.30 N ATOM 208 CA ASP A 14 9.231 8.966 -19.324 1.00 22.30 C ATOM 209 C ASP A 14 9.576 9.054 -20.807 1.00 55.35 C ATOM 210 O ASP A 14 10.748 9.072 -21.183 1.00 10.40 O ATOM 211 CB ASP A 14 8.230 7.834 -19.087 1.00 24.23 C ATOM 212 CG ASP A 14 8.626 6.946 -17.923 1.00 71.45 C ATOM 213 OD1 ASP A 14 8.668 7.448 -16.781 1.00 40.23 O ATOM 214 OD2 ASP A 14 8.894 5.748 -18.155 1.00 63.04 O ATOM 0 H ASP A 14 7.718 10.183 -18.533 1.00 12.30 H new ATOM 0 HA ASP A 14 10.145 8.755 -18.769 1.00 22.30 H new ATOM 0 HB2 ASP A 14 7.244 8.258 -18.898 1.00 24.23 H new ATOM 0 HB3 ASP A 14 8.149 7.229 -19.990 1.00 24.23 H new ATOM 219 N TYR A 15 8.547 9.108 -21.646 1.00 13.10 N ATOM 220 CA TYR A 15 8.740 9.191 -23.089 1.00 2.12 C ATOM 221 C TYR A 15 9.436 7.941 -23.618 1.00 21.31 C ATOM 222 O TYR A 15 9.738 7.019 -22.861 1.00 21.31 O ATOM 223 CB TYR A 15 9.559 10.433 -23.444 1.00 43.11 C ATOM 224 CG TYR A 15 8.761 11.501 -24.158 1.00 64.31 C ATOM 225 CD1 TYR A 15 8.294 11.299 -25.451 1.00 23.11 C ATOM 226 CD2 TYR A 15 8.474 12.711 -23.539 1.00 50.12 C ATOM 227 CE1 TYR A 15 7.566 12.272 -26.107 1.00 73.11 C ATOM 228 CE2 TYR A 15 7.745 13.689 -24.187 1.00 52.33 C ATOM 229 CZ TYR A 15 7.293 13.465 -25.471 1.00 44.22 C ATOM 230 OH TYR A 15 6.567 14.436 -26.121 1.00 13.40 O ATOM 0 H TYR A 15 7.571 9.096 -21.351 1.00 13.10 H new ATOM 0 HA TYR A 15 7.759 9.264 -23.558 1.00 2.12 H new ATOM 0 HB2 TYR A 15 9.979 10.855 -22.531 1.00 43.11 H new ATOM 0 HB3 TYR A 15 10.398 10.137 -24.073 1.00 43.11 H new ATOM 0 HD1 TYR A 15 8.504 10.365 -25.951 1.00 23.11 H new ATOM 0 HD2 TYR A 15 8.827 12.890 -22.534 1.00 50.12 H new ATOM 0 HE1 TYR A 15 7.212 12.100 -27.113 1.00 73.11 H new ATOM 0 HE2 TYR A 15 7.530 14.624 -23.691 1.00 52.33 H new ATOM 0 HH TYR A 15 6.462 15.214 -25.534 1.00 13.40 H new ATOM 240 N GLN A 16 9.687 7.919 -24.923 1.00 25.12 N ATOM 241 CA GLN A 16 10.348 6.782 -25.554 1.00 53.42 C ATOM 242 C GLN A 16 11.847 6.798 -25.273 1.00 15.34 C ATOM 243 O GLN A 16 12.534 7.773 -25.575 1.00 54.20 O ATOM 244 CB GLN A 16 10.100 6.796 -27.064 1.00 22.24 C ATOM 245 CG GLN A 16 10.636 8.038 -27.757 1.00 65.21 C ATOM 246 CD GLN A 16 9.620 8.673 -28.685 1.00 12.01 C ATOM 247 OE1 GLN A 16 9.051 9.721 -28.377 1.00 72.22 O ATOM 248 NE2 GLN A 16 9.386 8.041 -29.829 1.00 33.21 N ATOM 0 H GLN A 16 9.443 8.674 -25.564 1.00 25.12 H new ATOM 0 HA GLN A 16 9.928 5.869 -25.131 1.00 53.42 H new ATOM 0 HB2 GLN A 16 10.562 5.914 -27.508 1.00 22.24 H new ATOM 0 HB3 GLN A 16 9.028 6.721 -27.249 1.00 22.24 H new ATOM 0 HG2 GLN A 16 10.940 8.766 -27.005 1.00 65.21 H new ATOM 0 HG3 GLN A 16 11.528 7.776 -28.326 1.00 65.21 H new ATOM 0 HE21 GLN A 16 9.880 7.175 -30.044 1.00 33.21 H new ATOM 0 HE22 GLN A 16 8.712 8.422 -30.493 1.00 33.21 H new ATOM 257 N GLU A 17 12.346 5.712 -24.691 1.00 61.04 N ATOM 258 CA GLU A 17 13.764 5.603 -24.368 1.00 71.12 C ATOM 259 C GLU A 17 14.615 5.636 -25.635 1.00 33.44 C ATOM 260 O GLU A 17 15.055 6.698 -26.074 1.00 0.34 O ATOM 261 CB GLU A 17 14.035 4.313 -23.592 1.00 31.42 C ATOM 262 CG GLU A 17 13.523 4.344 -22.161 1.00 44.23 C ATOM 263 CD GLU A 17 14.508 4.988 -21.204 1.00 34.41 C ATOM 264 OE1 GLU A 17 15.567 4.380 -20.944 1.00 31.22 O ATOM 265 OE2 GLU A 17 14.218 6.100 -20.715 1.00 70.20 O ATOM 0 H GLU A 17 11.790 4.896 -24.434 1.00 61.04 H new ATOM 0 HA GLU A 17 14.036 6.456 -23.746 1.00 71.12 H new ATOM 0 HB2 GLU A 17 13.570 3.479 -24.117 1.00 31.42 H new ATOM 0 HB3 GLU A 17 15.109 4.124 -23.581 1.00 31.42 H new ATOM 0 HG2 GLU A 17 12.580 4.890 -22.128 1.00 44.23 H new ATOM 0 HG3 GLU A 17 13.314 3.326 -21.831 1.00 44.23 H new ATOM 272 N LYS A 18 14.843 4.464 -26.217 1.00 73.54 N ATOM 273 CA LYS A 18 15.640 4.355 -27.434 1.00 13.44 C ATOM 274 C LYS A 18 15.917 2.895 -27.774 1.00 64.31 C ATOM 275 O LYS A 18 17.012 2.388 -27.530 1.00 45.14 O ATOM 276 CB LYS A 18 16.960 5.112 -27.272 1.00 11.33 C ATOM 277 CG LYS A 18 17.049 6.368 -28.121 1.00 40.40 C ATOM 278 CD LYS A 18 17.578 6.064 -29.513 1.00 13.13 C ATOM 279 CE LYS A 18 16.969 6.990 -30.555 1.00 21.12 C ATOM 280 NZ LYS A 18 17.708 8.279 -30.651 1.00 0.24 N ATOM 0 H LYS A 18 14.487 3.575 -25.866 1.00 73.54 H new ATOM 0 HA LYS A 18 15.072 4.798 -28.252 1.00 13.44 H new ATOM 0 HB2 LYS A 18 17.088 5.382 -26.224 1.00 11.33 H new ATOM 0 HB3 LYS A 18 17.784 4.448 -27.533 1.00 11.33 H new ATOM 0 HG2 LYS A 18 16.063 6.827 -28.198 1.00 40.40 H new ATOM 0 HG3 LYS A 18 17.701 7.093 -27.633 1.00 40.40 H new ATOM 0 HD2 LYS A 18 18.663 6.168 -29.522 1.00 13.13 H new ATOM 0 HD3 LYS A 18 17.355 5.028 -29.770 1.00 13.13 H new ATOM 0 HE2 LYS A 18 16.973 6.496 -31.527 1.00 21.12 H new ATOM 0 HE3 LYS A 18 15.927 7.187 -30.302 1.00 21.12 H new ATOM 0 HZ1 LYS A 18 17.262 8.882 -31.372 1.00 0.24 H new ATOM 0 HZ2 LYS A 18 17.683 8.763 -29.731 1.00 0.24 H new ATOM 0 HZ3 LYS A 18 18.696 8.094 -30.918 1.00 0.24 H new ATOM 294 N SER A 19 14.919 2.224 -28.340 1.00 23.41 N ATOM 295 CA SER A 19 15.056 0.820 -28.712 1.00 12.22 C ATOM 296 C SER A 19 13.768 0.298 -29.342 1.00 65.50 C ATOM 297 O SER A 19 12.671 0.785 -29.070 1.00 3.31 O ATOM 298 CB SER A 19 15.415 -0.022 -27.486 1.00 2.51 C ATOM 299 OG SER A 19 16.600 -0.767 -27.708 1.00 51.43 O ATOM 0 H SER A 19 14.007 2.629 -28.551 1.00 23.41 H new ATOM 0 HA SER A 19 15.858 0.740 -29.446 1.00 12.22 H new ATOM 0 HB2 SER A 19 15.547 0.628 -26.621 1.00 2.51 H new ATOM 0 HB3 SER A 19 14.594 -0.700 -27.253 1.00 2.51 H new ATOM 0 HG SER A 19 16.809 -1.295 -26.909 1.00 51.43 H new ATOM 305 N PRO A 20 13.904 -0.720 -30.206 1.00 1.23 N ATOM 306 CA PRO A 20 12.763 -1.332 -30.893 1.00 23.21 C ATOM 307 C PRO A 20 11.874 -2.128 -29.944 1.00 12.22 C ATOM 308 O PRO A 20 10.706 -2.383 -30.240 1.00 3.03 O ATOM 309 CB PRO A 20 13.422 -2.263 -31.914 1.00 43.54 C ATOM 310 CG PRO A 20 14.756 -2.580 -31.332 1.00 44.33 C ATOM 311 CD PRO A 20 15.182 -1.351 -30.577 1.00 54.23 C ATOM 0 HA PRO A 20 12.106 -0.584 -31.338 1.00 23.21 H new ATOM 0 HB2 PRO A 20 12.831 -3.166 -32.065 1.00 43.54 H new ATOM 0 HB3 PRO A 20 13.519 -1.779 -32.886 1.00 43.54 H new ATOM 0 HG2 PRO A 20 14.697 -3.444 -30.670 1.00 44.33 H new ATOM 0 HG3 PRO A 20 15.474 -2.826 -32.114 1.00 44.33 H new ATOM 0 HD2 PRO A 20 15.775 -1.604 -29.698 1.00 54.23 H new ATOM 0 HD3 PRO A 20 15.792 -0.691 -31.194 1.00 54.23 H new ATOM 319 N ARG A 21 12.433 -2.517 -28.803 1.00 12.24 N ATOM 320 CA ARG A 21 11.690 -3.284 -27.810 1.00 72.34 C ATOM 321 C ARG A 21 11.284 -2.402 -26.633 1.00 72.33 C ATOM 322 O ARG A 21 10.379 -2.744 -25.873 1.00 72.20 O ATOM 323 CB ARG A 21 12.529 -4.463 -27.313 1.00 11.30 C ATOM 324 CG ARG A 21 11.728 -5.497 -26.540 1.00 31.25 C ATOM 325 CD ARG A 21 12.217 -6.908 -26.826 1.00 30.42 C ATOM 326 NE ARG A 21 12.340 -7.703 -25.607 1.00 0.14 N ATOM 327 CZ ARG A 21 11.300 -8.186 -24.936 1.00 0.20 C ATOM 328 NH1 ARG A 21 10.066 -7.957 -25.364 1.00 44.54 N ATOM 329 NH2 ARG A 21 11.493 -8.900 -23.835 1.00 30.24 N ATOM 0 H ARG A 21 13.398 -2.314 -28.543 1.00 12.24 H new ATOM 0 HA ARG A 21 10.786 -3.665 -28.284 1.00 72.34 H new ATOM 0 HB2 ARG A 21 13.002 -4.947 -28.167 1.00 11.30 H new ATOM 0 HB3 ARG A 21 13.329 -4.086 -26.677 1.00 11.30 H new ATOM 0 HG2 ARG A 21 11.804 -5.294 -25.472 1.00 31.25 H new ATOM 0 HG3 ARG A 21 10.674 -5.415 -26.805 1.00 31.25 H new ATOM 0 HD2 ARG A 21 11.526 -7.399 -27.511 1.00 30.42 H new ATOM 0 HD3 ARG A 21 13.184 -6.862 -27.328 1.00 30.42 H new ATOM 0 HE ARG A 21 13.276 -7.898 -25.251 1.00 0.14 H new ATOM 0 HH11 ARG A 21 9.913 -7.409 -26.210 1.00 44.54 H new ATOM 0 HH12 ARG A 21 9.270 -8.329 -24.847 1.00 44.54 H new ATOM 0 HH21 ARG A 21 12.441 -9.079 -23.503 1.00 30.24 H new ATOM 0 HH22 ARG A 21 10.694 -9.270 -23.321 1.00 30.24 H new ATOM 343 N GLU A 22 11.960 -1.267 -26.490 1.00 42.22 N ATOM 344 CA GLU A 22 11.670 -0.337 -25.405 1.00 21.22 C ATOM 345 C GLU A 22 10.202 0.078 -25.422 1.00 50.43 C ATOM 346 O GLU A 22 9.430 -0.362 -26.275 1.00 24.15 O ATOM 347 CB GLU A 22 12.563 0.901 -25.511 1.00 63.44 C ATOM 348 CG GLU A 22 12.061 1.929 -26.510 1.00 40.43 C ATOM 349 CD GLU A 22 11.242 3.026 -25.857 1.00 31.50 C ATOM 350 OE1 GLU A 22 11.342 3.187 -24.623 1.00 24.41 O ATOM 351 OE2 GLU A 22 10.500 3.723 -26.581 1.00 22.51 O ATOM 0 H GLU A 22 12.712 -0.969 -27.111 1.00 42.22 H new ATOM 0 HA GLU A 22 11.876 -0.844 -24.462 1.00 21.22 H new ATOM 0 HB2 GLU A 22 12.640 1.368 -24.529 1.00 63.44 H new ATOM 0 HB3 GLU A 22 13.568 0.590 -25.796 1.00 63.44 H new ATOM 0 HG2 GLU A 22 12.912 2.374 -27.026 1.00 40.43 H new ATOM 0 HG3 GLU A 22 11.455 1.430 -27.266 1.00 40.43 H new ATOM 358 N VAL A 23 9.823 0.930 -24.474 1.00 74.53 N ATOM 359 CA VAL A 23 8.448 1.406 -24.380 1.00 32.20 C ATOM 360 C VAL A 23 8.391 2.804 -23.776 1.00 50.50 C ATOM 361 O VAL A 23 9.111 3.113 -22.826 1.00 21.13 O ATOM 362 CB VAL A 23 7.582 0.456 -23.531 1.00 11.31 C ATOM 363 CG1 VAL A 23 6.164 0.993 -23.408 1.00 10.02 C ATOM 364 CG2 VAL A 23 7.581 -0.942 -24.130 1.00 23.14 C ATOM 0 H VAL A 23 10.449 1.304 -23.761 1.00 74.53 H new ATOM 0 HA VAL A 23 8.053 1.436 -25.395 1.00 32.20 H new ATOM 0 HB VAL A 23 8.011 0.398 -22.531 1.00 11.31 H new ATOM 0 HG11 VAL A 23 5.567 0.309 -22.805 1.00 10.02 H new ATOM 0 HG12 VAL A 23 6.186 1.973 -22.931 1.00 10.02 H new ATOM 0 HG13 VAL A 23 5.722 1.083 -24.400 1.00 10.02 H new ATOM 0 HG21 VAL A 23 6.964 -1.600 -23.517 1.00 23.14 H new ATOM 0 HG22 VAL A 23 7.177 -0.904 -25.142 1.00 23.14 H new ATOM 0 HG23 VAL A 23 8.601 -1.325 -24.161 1.00 23.14 H new ATOM 374 N THR A 24 7.529 3.649 -24.333 1.00 41.45 N ATOM 375 CA THR A 24 7.378 5.016 -23.851 1.00 11.21 C ATOM 376 C THR A 24 6.279 5.109 -22.799 1.00 12.43 C ATOM 377 O THR A 24 5.321 4.336 -22.818 1.00 4.42 O ATOM 378 CB THR A 24 7.054 5.986 -25.003 1.00 14.12 C ATOM 379 OG1 THR A 24 6.859 7.309 -24.490 1.00 31.45 O ATOM 380 CG2 THR A 24 5.808 5.539 -25.752 1.00 75.11 C ATOM 0 H THR A 24 6.924 3.410 -25.119 1.00 41.45 H new ATOM 0 HA THR A 24 8.331 5.301 -23.404 1.00 11.21 H new ATOM 0 HB THR A 24 7.895 5.986 -25.696 1.00 14.12 H new ATOM 0 HG1 THR A 24 6.655 7.920 -25.229 1.00 31.45 H new ATOM 0 HG21 THR A 24 5.599 6.239 -26.561 1.00 75.11 H new ATOM 0 HG22 THR A 24 5.970 4.544 -26.166 1.00 75.11 H new ATOM 0 HG23 THR A 24 4.961 5.513 -25.066 1.00 75.11 H new ATOM 388 N MET A 25 6.423 6.061 -21.882 1.00 73.20 N ATOM 389 CA MET A 25 5.440 6.256 -20.822 1.00 72.55 C ATOM 390 C MET A 25 5.139 7.738 -20.626 1.00 21.04 C ATOM 391 O MET A 25 5.921 8.600 -21.028 1.00 24.44 O ATOM 392 CB MET A 25 5.943 5.647 -19.512 1.00 63.02 C ATOM 393 CG MET A 25 5.047 4.545 -18.970 1.00 43.21 C ATOM 394 SD MET A 25 5.274 2.978 -19.833 1.00 13.21 S ATOM 395 CE MET A 25 3.595 2.631 -20.351 1.00 14.13 C ATOM 0 H MET A 25 7.210 6.709 -21.852 1.00 73.20 H new ATOM 0 HA MET A 25 4.519 5.753 -21.117 1.00 72.55 H new ATOM 0 HB2 MET A 25 6.944 5.246 -19.668 1.00 63.02 H new ATOM 0 HB3 MET A 25 6.029 6.435 -18.764 1.00 63.02 H new ATOM 0 HG2 MET A 25 5.252 4.404 -17.909 1.00 43.21 H new ATOM 0 HG3 MET A 25 4.005 4.854 -19.055 1.00 43.21 H new ATOM 0 HE1 MET A 25 3.571 1.690 -20.900 1.00 14.13 H new ATOM 0 HE2 MET A 25 2.952 2.557 -19.474 1.00 14.13 H new ATOM 0 HE3 MET A 25 3.239 3.435 -20.995 1.00 14.13 H new ATOM 405 N LYS A 26 4.001 8.029 -20.005 1.00 72.11 N ATOM 406 CA LYS A 26 3.596 9.407 -19.754 1.00 5.14 C ATOM 407 C LYS A 26 3.879 9.802 -18.308 1.00 33.35 C ATOM 408 O LYS A 26 3.578 9.052 -17.378 1.00 62.24 O ATOM 409 CB LYS A 26 2.108 9.588 -20.062 1.00 24.13 C ATOM 410 CG LYS A 26 1.818 10.748 -20.998 1.00 73.23 C ATOM 411 CD LYS A 26 0.398 11.262 -20.825 1.00 44.22 C ATOM 412 CE LYS A 26 0.171 12.546 -21.609 1.00 24.04 C ATOM 413 NZ LYS A 26 -1.274 12.891 -21.700 1.00 52.45 N ATOM 0 H LYS A 26 3.342 7.328 -19.666 1.00 72.11 H new ATOM 0 HA LYS A 26 4.177 10.055 -20.410 1.00 5.14 H new ATOM 0 HB2 LYS A 26 1.723 8.670 -20.505 1.00 24.13 H new ATOM 0 HB3 LYS A 26 1.568 9.742 -19.128 1.00 24.13 H new ATOM 0 HG2 LYS A 26 2.524 11.556 -20.807 1.00 73.23 H new ATOM 0 HG3 LYS A 26 1.968 10.430 -22.030 1.00 73.23 H new ATOM 0 HD2 LYS A 26 -0.308 10.502 -21.158 1.00 44.22 H new ATOM 0 HD3 LYS A 26 0.200 11.440 -19.768 1.00 44.22 H new ATOM 0 HE2 LYS A 26 0.710 13.364 -21.131 1.00 24.04 H new ATOM 0 HE3 LYS A 26 0.582 12.437 -22.612 1.00 24.04 H new ATOM 0 HZ1 LYS A 26 -1.387 13.772 -22.241 1.00 52.45 H new ATOM 0 HZ2 LYS A 26 -1.785 12.122 -22.179 1.00 52.45 H new ATOM 0 HZ3 LYS A 26 -1.661 13.021 -20.743 1.00 52.45 H new ATOM 427 N LYS A 27 4.457 10.984 -18.124 1.00 35.13 N ATOM 428 CA LYS A 27 4.777 11.480 -16.791 1.00 10.43 C ATOM 429 C LYS A 27 3.564 11.391 -15.870 1.00 72.15 C ATOM 430 O LYS A 27 2.435 11.643 -16.289 1.00 71.14 O ATOM 431 CB LYS A 27 5.266 12.928 -16.867 1.00 45.44 C ATOM 432 CG LYS A 27 4.156 13.933 -17.118 1.00 54.52 C ATOM 433 CD LYS A 27 4.708 15.271 -17.582 1.00 71.10 C ATOM 434 CE LYS A 27 4.684 16.302 -16.464 1.00 21.31 C ATOM 435 NZ LYS A 27 3.498 17.197 -16.560 1.00 70.00 N ATOM 0 H LYS A 27 4.714 11.617 -18.882 1.00 35.13 H new ATOM 0 HA LYS A 27 5.570 10.855 -16.380 1.00 10.43 H new ATOM 0 HB2 LYS A 27 5.770 13.182 -15.934 1.00 45.44 H new ATOM 0 HB3 LYS A 27 6.007 13.011 -17.663 1.00 45.44 H new ATOM 0 HG2 LYS A 27 3.472 13.540 -17.870 1.00 54.52 H new ATOM 0 HG3 LYS A 27 3.578 14.074 -16.204 1.00 54.52 H new ATOM 0 HD2 LYS A 27 5.731 15.141 -17.936 1.00 71.10 H new ATOM 0 HD3 LYS A 27 4.122 15.634 -18.426 1.00 71.10 H new ATOM 0 HE2 LYS A 27 4.677 15.793 -15.500 1.00 21.31 H new ATOM 0 HE3 LYS A 27 5.594 16.900 -16.502 1.00 21.31 H new ATOM 0 HZ1 LYS A 27 3.518 17.885 -15.780 1.00 70.00 H new ATOM 0 HZ2 LYS A 27 3.517 17.703 -17.469 1.00 70.00 H new ATOM 0 HZ3 LYS A 27 2.629 16.629 -16.498 1.00 70.00 H new ATOM 449 N GLY A 28 3.805 11.031 -14.613 1.00 42.53 N ATOM 450 CA GLY A 28 2.723 10.917 -13.654 1.00 33.34 C ATOM 451 C GLY A 28 2.390 9.475 -13.324 1.00 63.02 C ATOM 452 O GLY A 28 1.788 9.191 -12.289 1.00 34.30 O ATOM 0 H GLY A 28 4.731 10.816 -14.242 1.00 42.53 H new ATOM 0 HA2 GLY A 28 2.996 11.442 -12.739 1.00 33.34 H new ATOM 0 HA3 GLY A 28 1.836 11.410 -14.052 1.00 33.34 H new ATOM 456 N ASP A 29 2.782 8.563 -14.207 1.00 20.21 N ATOM 457 CA ASP A 29 2.521 7.142 -14.005 1.00 45.21 C ATOM 458 C ASP A 29 3.250 6.627 -12.768 1.00 33.52 C ATOM 459 O ASP A 29 4.160 7.278 -12.255 1.00 63.12 O ATOM 460 CB ASP A 29 2.953 6.343 -15.236 1.00 35.01 C ATOM 461 CG ASP A 29 2.001 6.520 -16.403 1.00 63.42 C ATOM 462 OD1 ASP A 29 1.315 7.562 -16.457 1.00 73.41 O ATOM 463 OD2 ASP A 29 1.944 5.616 -17.263 1.00 41.22 O ATOM 0 H ASP A 29 3.281 8.782 -15.069 1.00 20.21 H new ATOM 0 HA ASP A 29 1.449 7.012 -13.854 1.00 45.21 H new ATOM 0 HB2 ASP A 29 3.953 6.655 -15.536 1.00 35.01 H new ATOM 0 HB3 ASP A 29 3.013 5.286 -14.977 1.00 35.01 H new ATOM 468 N ILE A 30 2.842 5.455 -12.293 1.00 33.40 N ATOM 469 CA ILE A 30 3.455 4.852 -11.116 1.00 44.31 C ATOM 470 C ILE A 30 4.276 3.623 -11.492 1.00 53.01 C ATOM 471 O ILE A 30 3.759 2.676 -12.086 1.00 33.20 O ATOM 472 CB ILE A 30 2.397 4.449 -10.073 1.00 15.42 C ATOM 473 CG1 ILE A 30 1.270 3.656 -10.738 1.00 13.32 C ATOM 474 CG2 ILE A 30 1.843 5.684 -9.376 1.00 62.50 C ATOM 475 CD1 ILE A 30 0.911 2.384 -10.003 1.00 32.04 C ATOM 0 H ILE A 30 2.089 4.904 -12.705 1.00 33.40 H new ATOM 0 HA ILE A 30 4.112 5.606 -10.682 1.00 44.31 H new ATOM 0 HB ILE A 30 2.870 3.814 -9.324 1.00 15.42 H new ATOM 0 HG12 ILE A 30 0.385 4.288 -10.808 1.00 13.32 H new ATOM 0 HG13 ILE A 30 1.565 3.406 -11.757 1.00 13.32 H new ATOM 0 HG21 ILE A 30 1.096 5.383 -8.641 1.00 62.50 H new ATOM 0 HG22 ILE A 30 2.653 6.213 -8.874 1.00 62.50 H new ATOM 0 HG23 ILE A 30 1.382 6.342 -10.113 1.00 62.50 H new ATOM 0 HD11 ILE A 30 0.105 1.874 -10.531 1.00 32.04 H new ATOM 0 HD12 ILE A 30 1.784 1.732 -9.956 1.00 32.04 H new ATOM 0 HD13 ILE A 30 0.585 2.628 -8.992 1.00 32.04 H new ATOM 487 N LEU A 31 5.557 3.644 -11.141 1.00 72.41 N ATOM 488 CA LEU A 31 6.450 2.529 -11.440 1.00 11.42 C ATOM 489 C LEU A 31 7.060 1.963 -10.162 1.00 4.22 C ATOM 490 O LEU A 31 7.895 2.604 -9.522 1.00 42.00 O ATOM 491 CB LEU A 31 7.559 2.980 -12.392 1.00 51.21 C ATOM 492 CG LEU A 31 7.256 2.849 -13.885 1.00 53.41 C ATOM 493 CD1 LEU A 31 7.231 1.386 -14.298 1.00 55.15 C ATOM 494 CD2 LEU A 31 5.934 3.524 -14.222 1.00 33.41 C ATOM 0 H LEU A 31 6.001 4.420 -10.650 1.00 72.41 H new ATOM 0 HA LEU A 31 5.865 1.745 -11.920 1.00 11.42 H new ATOM 0 HB2 LEU A 31 7.791 4.023 -12.179 1.00 51.21 H new ATOM 0 HB3 LEU A 31 8.457 2.402 -12.172 1.00 51.21 H new ATOM 0 HG LEU A 31 8.048 3.349 -14.443 1.00 53.41 H new ATOM 0 HD11 LEU A 31 7.014 1.312 -15.364 1.00 55.15 H new ATOM 0 HD12 LEU A 31 8.201 0.934 -14.093 1.00 55.15 H new ATOM 0 HD13 LEU A 31 6.460 0.862 -13.734 1.00 55.15 H new ATOM 0 HD21 LEU A 31 5.734 3.421 -15.289 1.00 33.41 H new ATOM 0 HD22 LEU A 31 5.130 3.054 -13.655 1.00 33.41 H new ATOM 0 HD23 LEU A 31 5.989 4.582 -13.964 1.00 33.41 H new ATOM 506 N THR A 32 6.640 0.756 -9.795 1.00 42.34 N ATOM 507 CA THR A 32 7.146 0.103 -8.595 1.00 32.21 C ATOM 508 C THR A 32 8.471 -0.600 -8.868 1.00 12.31 C ATOM 509 O THR A 32 8.569 -1.435 -9.768 1.00 34.12 O ATOM 510 CB THR A 32 6.137 -0.924 -8.047 1.00 32.01 C ATOM 511 OG1 THR A 32 4.943 -0.908 -8.838 1.00 0.15 O ATOM 512 CG2 THR A 32 5.794 -0.624 -6.595 1.00 71.24 C ATOM 0 H THR A 32 5.950 0.211 -10.312 1.00 42.34 H new ATOM 0 HA THR A 32 7.299 0.885 -7.851 1.00 32.21 H new ATOM 0 HB THR A 32 6.593 -1.912 -8.099 1.00 32.01 H new ATOM 0 HG1 THR A 32 4.307 -1.565 -8.484 1.00 0.15 H new ATOM 0 HG21 THR A 32 5.080 -1.362 -6.230 1.00 71.24 H new ATOM 0 HG22 THR A 32 6.700 -0.666 -5.991 1.00 71.24 H new ATOM 0 HG23 THR A 32 5.356 0.371 -6.523 1.00 71.24 H new ATOM 520 N LEU A 33 9.489 -0.257 -8.086 1.00 33.10 N ATOM 521 CA LEU A 33 10.810 -0.856 -8.243 1.00 75.21 C ATOM 522 C LEU A 33 10.874 -2.219 -7.560 1.00 42.42 C ATOM 523 O LEU A 33 10.505 -2.359 -6.394 1.00 14.44 O ATOM 524 CB LEU A 33 11.882 0.068 -7.665 1.00 5.20 C ATOM 525 CG LEU A 33 11.721 0.446 -6.192 1.00 74.31 C ATOM 526 CD1 LEU A 33 12.857 -0.134 -5.364 1.00 60.24 C ATOM 527 CD2 LEU A 33 11.660 1.958 -6.033 1.00 31.23 C ATOM 0 H LEU A 33 9.425 0.433 -7.337 1.00 33.10 H new ATOM 0 HA LEU A 33 10.995 -0.995 -9.308 1.00 75.21 H new ATOM 0 HB2 LEU A 33 12.853 -0.411 -7.792 1.00 5.20 H new ATOM 0 HB3 LEU A 33 11.899 0.985 -8.255 1.00 5.20 H new ATOM 0 HG LEU A 33 10.783 0.025 -5.829 1.00 74.31 H new ATOM 0 HD11 LEU A 33 12.725 0.146 -4.319 1.00 60.24 H new ATOM 0 HD12 LEU A 33 12.854 -1.220 -5.452 1.00 60.24 H new ATOM 0 HD13 LEU A 33 13.808 0.256 -5.727 1.00 60.24 H new ATOM 0 HD21 LEU A 33 11.545 2.209 -4.978 1.00 31.23 H new ATOM 0 HD22 LEU A 33 12.580 2.401 -6.413 1.00 31.23 H new ATOM 0 HD23 LEU A 33 10.811 2.349 -6.593 1.00 31.23 H new ATOM 539 N LEU A 34 11.348 -3.220 -8.293 1.00 72.04 N ATOM 540 CA LEU A 34 11.464 -4.572 -7.758 1.00 73.11 C ATOM 541 C LEU A 34 12.894 -4.861 -7.314 1.00 31.13 C ATOM 542 O LEU A 34 13.126 -5.692 -6.437 1.00 31.21 O ATOM 543 CB LEU A 34 11.027 -5.596 -8.807 1.00 34.32 C ATOM 544 CG LEU A 34 11.184 -7.066 -8.416 1.00 34.21 C ATOM 545 CD1 LEU A 34 9.838 -7.774 -8.450 1.00 21.20 C ATOM 546 CD2 LEU A 34 12.177 -7.760 -9.337 1.00 11.23 C ATOM 0 H LEU A 34 11.658 -3.121 -9.260 1.00 72.04 H new ATOM 0 HA LEU A 34 10.811 -4.650 -6.889 1.00 73.11 H new ATOM 0 HB2 LEU A 34 9.980 -5.415 -9.048 1.00 34.32 H new ATOM 0 HB3 LEU A 34 11.599 -5.420 -9.718 1.00 34.32 H new ATOM 0 HG LEU A 34 11.570 -7.112 -7.398 1.00 34.21 H new ATOM 0 HD11 LEU A 34 9.969 -8.819 -8.169 1.00 21.20 H new ATOM 0 HD12 LEU A 34 9.156 -7.293 -7.749 1.00 21.20 H new ATOM 0 HD13 LEU A 34 9.423 -7.718 -9.456 1.00 21.20 H new ATOM 0 HD21 LEU A 34 12.276 -8.805 -9.044 1.00 11.23 H new ATOM 0 HD22 LEU A 34 11.820 -7.704 -10.365 1.00 11.23 H new ATOM 0 HD23 LEU A 34 13.147 -7.269 -9.262 1.00 11.23 H new ATOM 558 N ASN A 35 13.849 -4.167 -7.924 1.00 23.31 N ATOM 559 CA ASN A 35 15.257 -4.348 -7.590 1.00 24.31 C ATOM 560 C ASN A 35 16.117 -3.279 -8.257 1.00 54.32 C ATOM 561 O ASN A 35 16.083 -3.112 -9.476 1.00 53.03 O ATOM 562 CB ASN A 35 15.730 -5.739 -8.019 1.00 1.13 C ATOM 563 CG ASN A 35 16.570 -6.418 -6.954 1.00 44.42 C ATOM 564 OD1 ASN A 35 16.042 -6.975 -5.992 1.00 72.34 O ATOM 565 ND2 ASN A 35 17.887 -6.373 -7.122 1.00 51.33 N ATOM 0 H ASN A 35 13.674 -3.474 -8.652 1.00 23.31 H new ATOM 0 HA ASN A 35 15.363 -4.252 -6.509 1.00 24.31 H new ATOM 0 HB2 ASN A 35 14.864 -6.361 -8.246 1.00 1.13 H new ATOM 0 HB3 ASN A 35 16.311 -5.655 -8.937 1.00 1.13 H new ATOM 0 HD21 ASN A 35 18.504 -6.811 -6.438 1.00 51.33 H new ATOM 0 HD22 ASN A 35 18.282 -5.900 -7.935 1.00 51.33 H new ATOM 572 N SER A 36 16.887 -2.557 -7.449 1.00 53.12 N ATOM 573 CA SER A 36 17.753 -1.501 -7.960 1.00 72.05 C ATOM 574 C SER A 36 19.176 -1.664 -7.435 1.00 51.13 C ATOM 575 O SER A 36 19.417 -1.605 -6.229 1.00 15.30 O ATOM 576 CB SER A 36 17.206 -0.128 -7.566 1.00 54.21 C ATOM 577 OG SER A 36 16.997 -0.045 -6.167 1.00 53.30 O ATOM 0 H SER A 36 16.929 -2.684 -6.438 1.00 53.12 H new ATOM 0 HA SER A 36 17.774 -1.577 -9.047 1.00 72.05 H new ATOM 0 HB2 SER A 36 17.904 0.649 -7.879 1.00 54.21 H new ATOM 0 HB3 SER A 36 16.268 0.057 -8.089 1.00 54.21 H new ATOM 0 HG SER A 36 17.694 -0.553 -5.701 1.00 53.30 H new ATOM 583 N THR A 37 20.118 -1.870 -8.351 1.00 11.13 N ATOM 584 CA THR A 37 21.517 -2.043 -7.982 1.00 2.21 C ATOM 585 C THR A 37 22.438 -1.730 -9.156 1.00 11.23 C ATOM 586 O THR A 37 23.458 -2.390 -9.350 1.00 0.55 O ATOM 587 CB THR A 37 21.796 -3.477 -7.493 1.00 44.23 C ATOM 588 OG1 THR A 37 20.668 -3.975 -6.766 1.00 51.02 O ATOM 589 CG2 THR A 37 23.033 -3.516 -6.609 1.00 4.11 C ATOM 0 H THR A 37 19.937 -1.921 -9.353 1.00 11.13 H new ATOM 0 HA THR A 37 21.718 -1.345 -7.170 1.00 2.21 H new ATOM 0 HB THR A 37 21.972 -4.107 -8.365 1.00 44.23 H new ATOM 0 HG1 THR A 37 20.853 -4.887 -6.460 1.00 51.02 H new ATOM 0 HG21 THR A 37 23.210 -4.539 -6.276 1.00 4.11 H new ATOM 0 HG22 THR A 37 23.896 -3.164 -7.175 1.00 4.11 H new ATOM 0 HG23 THR A 37 22.881 -2.873 -5.742 1.00 4.11 H new ATOM 597 N ASN A 38 22.071 -0.718 -9.936 1.00 61.52 N ATOM 598 CA ASN A 38 22.865 -0.318 -11.092 1.00 4.10 C ATOM 599 C ASN A 38 22.538 1.113 -11.507 1.00 5.40 C ATOM 600 O ASN A 38 21.371 1.491 -11.609 1.00 61.01 O ATOM 601 CB ASN A 38 22.616 -1.270 -12.263 1.00 73.13 C ATOM 602 CG ASN A 38 23.579 -2.442 -12.271 1.00 55.34 C ATOM 603 OD1 ASN A 38 24.760 -2.286 -12.580 1.00 23.25 O ATOM 604 ND2 ASN A 38 23.076 -3.623 -11.932 1.00 13.12 N ATOM 0 H ASN A 38 21.230 -0.161 -9.789 1.00 61.52 H new ATOM 0 HA ASN A 38 23.917 -0.365 -10.812 1.00 4.10 H new ATOM 0 HB2 ASN A 38 21.593 -1.644 -12.212 1.00 73.13 H new ATOM 0 HB3 ASN A 38 22.709 -0.721 -13.200 1.00 73.13 H new ATOM 0 HD21 ASN A 38 23.675 -4.448 -11.920 1.00 13.12 H new ATOM 0 HD22 ASN A 38 22.090 -3.705 -11.683 1.00 13.12 H new ATOM 611 N LYS A 39 23.578 1.906 -11.746 1.00 14.22 N ATOM 612 CA LYS A 39 23.403 3.296 -12.152 1.00 21.33 C ATOM 613 C LYS A 39 23.197 3.400 -13.660 1.00 3.25 C ATOM 614 O LYS A 39 22.545 4.325 -14.144 1.00 3.42 O ATOM 615 CB LYS A 39 24.618 4.127 -11.733 1.00 53.22 C ATOM 616 CG LYS A 39 24.358 5.624 -11.730 1.00 65.21 C ATOM 617 CD LYS A 39 25.631 6.410 -11.461 1.00 32.40 C ATOM 618 CE LYS A 39 25.551 7.815 -12.037 1.00 75.15 C ATOM 619 NZ LYS A 39 26.886 8.316 -12.466 1.00 72.31 N ATOM 0 H LYS A 39 24.551 1.610 -11.665 1.00 14.22 H new ATOM 0 HA LYS A 39 22.515 3.686 -11.654 1.00 21.33 H new ATOM 0 HB2 LYS A 39 24.932 3.819 -10.736 1.00 53.22 H new ATOM 0 HB3 LYS A 39 25.446 3.912 -12.409 1.00 53.22 H new ATOM 0 HG2 LYS A 39 23.940 5.924 -12.691 1.00 65.21 H new ATOM 0 HG3 LYS A 39 23.614 5.864 -10.970 1.00 65.21 H new ATOM 0 HD2 LYS A 39 25.805 6.466 -10.386 1.00 32.40 H new ATOM 0 HD3 LYS A 39 26.482 5.886 -11.895 1.00 32.40 H new ATOM 0 HE2 LYS A 39 24.871 7.820 -12.888 1.00 75.15 H new ATOM 0 HE3 LYS A 39 25.133 8.490 -11.291 1.00 75.15 H new ATOM 0 HZ1 LYS A 39 26.788 9.276 -12.853 1.00 72.31 H new ATOM 0 HZ2 LYS A 39 27.529 8.336 -11.649 1.00 72.31 H new ATOM 0 HZ3 LYS A 39 27.275 7.686 -13.197 1.00 72.31 H new ATOM 633 N ASP A 40 23.756 2.446 -14.396 1.00 32.13 N ATOM 634 CA ASP A 40 23.631 2.429 -15.849 1.00 2.54 C ATOM 635 C ASP A 40 22.566 1.431 -16.291 1.00 64.24 C ATOM 636 O ASP A 40 22.339 1.240 -17.486 1.00 51.20 O ATOM 637 CB ASP A 40 24.974 2.082 -16.493 1.00 71.51 C ATOM 638 CG ASP A 40 24.947 2.228 -18.002 1.00 1.12 C ATOM 639 OD1 ASP A 40 24.047 2.925 -18.514 1.00 12.32 O ATOM 640 OD2 ASP A 40 25.826 1.645 -18.671 1.00 21.34 O ATOM 0 H ASP A 40 24.300 1.674 -14.011 1.00 32.13 H new ATOM 0 HA ASP A 40 23.327 3.424 -16.175 1.00 2.54 H new ATOM 0 HB2 ASP A 40 25.749 2.729 -16.082 1.00 71.51 H new ATOM 0 HB3 ASP A 40 25.244 1.058 -16.235 1.00 71.51 H new ATOM 645 N TRP A 41 21.918 0.796 -15.321 1.00 44.13 N ATOM 646 CA TRP A 41 20.878 -0.184 -15.612 1.00 22.25 C ATOM 647 C TRP A 41 19.833 -0.214 -14.502 1.00 2.24 C ATOM 648 O TRP A 41 20.157 -0.036 -13.327 1.00 51.04 O ATOM 649 CB TRP A 41 21.493 -1.574 -15.787 1.00 51.33 C ATOM 650 CG TRP A 41 20.654 -2.493 -16.622 1.00 32.30 C ATOM 651 CD1 TRP A 41 19.520 -3.147 -16.233 1.00 74.10 C ATOM 652 CD2 TRP A 41 20.884 -2.862 -17.986 1.00 61.01 C ATOM 653 NE1 TRP A 41 19.031 -3.900 -17.273 1.00 71.23 N ATOM 654 CE2 TRP A 41 19.849 -3.742 -18.360 1.00 44.22 C ATOM 655 CE3 TRP A 41 21.862 -2.533 -18.929 1.00 21.25 C ATOM 656 CZ2 TRP A 41 19.768 -4.296 -19.635 1.00 3.40 C ATOM 657 CZ3 TRP A 41 21.780 -3.084 -20.193 1.00 63.02 C ATOM 658 CH2 TRP A 41 20.739 -3.957 -20.538 1.00 3.54 C ATOM 0 H TRP A 41 22.094 0.942 -14.327 1.00 44.13 H new ATOM 0 HA TRP A 41 20.387 0.108 -16.540 1.00 22.25 H new ATOM 0 HB2 TRP A 41 22.476 -1.473 -16.246 1.00 51.33 H new ATOM 0 HB3 TRP A 41 21.644 -2.023 -14.805 1.00 51.33 H new ATOM 0 HD1 TRP A 41 19.073 -3.082 -15.252 1.00 74.10 H new ATOM 0 HE1 TRP A 41 18.194 -4.482 -17.241 1.00 71.23 H new ATOM 0 HE3 TRP A 41 22.667 -1.860 -18.674 1.00 21.25 H new ATOM 0 HZ2 TRP A 41 18.967 -4.970 -19.902 1.00 3.40 H new ATOM 0 HZ3 TRP A 41 22.531 -2.838 -20.929 1.00 63.02 H new ATOM 0 HH2 TRP A 41 20.702 -4.370 -21.535 1.00 3.54 H new ATOM 669 N TRP A 42 18.581 -0.440 -14.881 1.00 14.54 N ATOM 670 CA TRP A 42 17.488 -0.492 -13.916 1.00 22.44 C ATOM 671 C TRP A 42 16.507 -1.607 -14.264 1.00 45.41 C ATOM 672 O TRP A 42 16.279 -1.902 -15.437 1.00 62.33 O ATOM 673 CB TRP A 42 16.757 0.850 -13.867 1.00 44.44 C ATOM 674 CG TRP A 42 17.682 2.028 -13.803 1.00 4.02 C ATOM 675 CD1 TRP A 42 18.082 2.696 -12.680 1.00 73.14 C ATOM 676 CD2 TRP A 42 18.321 2.677 -14.907 1.00 44.42 C ATOM 677 NE1 TRP A 42 18.931 3.721 -13.021 1.00 15.43 N ATOM 678 CE2 TRP A 42 19.094 3.731 -14.381 1.00 23.24 C ATOM 679 CE3 TRP A 42 18.318 2.470 -16.289 1.00 54.52 C ATOM 680 CZ2 TRP A 42 19.853 4.573 -15.189 1.00 1.11 C ATOM 681 CZ3 TRP A 42 19.071 3.308 -17.090 1.00 70.51 C ATOM 682 CH2 TRP A 42 19.831 4.348 -16.538 1.00 72.45 C ATOM 0 H TRP A 42 18.297 -0.590 -15.849 1.00 14.54 H new ATOM 0 HA TRP A 42 17.914 -0.701 -12.935 1.00 22.44 H new ATOM 0 HB2 TRP A 42 16.123 0.943 -14.749 1.00 44.44 H new ATOM 0 HB3 TRP A 42 16.099 0.866 -12.998 1.00 44.44 H new ATOM 0 HD1 TRP A 42 17.776 2.454 -11.673 1.00 73.14 H new ATOM 0 HE1 TRP A 42 19.369 4.370 -12.367 1.00 15.43 H new ATOM 0 HE3 TRP A 42 17.738 1.670 -16.724 1.00 54.52 H new ATOM 0 HZ2 TRP A 42 20.439 5.376 -14.766 1.00 1.11 H new ATOM 0 HZ3 TRP A 42 19.074 3.159 -18.160 1.00 70.51 H new ATOM 0 HH2 TRP A 42 20.411 4.984 -17.190 1.00 72.45 H new ATOM 693 N LYS A 43 15.929 -2.222 -13.238 1.00 63.34 N ATOM 694 CA LYS A 43 14.971 -3.304 -13.436 1.00 3.33 C ATOM 695 C LYS A 43 13.753 -3.122 -12.536 1.00 70.11 C ATOM 696 O LYS A 43 13.870 -3.113 -11.311 1.00 35.35 O ATOM 697 CB LYS A 43 15.631 -4.655 -13.152 1.00 70.23 C ATOM 698 CG LYS A 43 16.103 -5.376 -14.403 1.00 53.03 C ATOM 699 CD LYS A 43 16.578 -6.785 -14.089 1.00 43.44 C ATOM 700 CE LYS A 43 17.901 -7.092 -14.774 1.00 41.23 C ATOM 701 NZ LYS A 43 18.119 -8.557 -14.928 1.00 52.13 N ATOM 0 H LYS A 43 16.107 -1.990 -12.261 1.00 63.34 H new ATOM 0 HA LYS A 43 14.641 -3.279 -14.475 1.00 3.33 H new ATOM 0 HB2 LYS A 43 16.482 -4.502 -12.488 1.00 70.23 H new ATOM 0 HB3 LYS A 43 14.923 -5.291 -12.621 1.00 70.23 H new ATOM 0 HG2 LYS A 43 15.290 -5.418 -15.128 1.00 53.03 H new ATOM 0 HG3 LYS A 43 16.914 -4.812 -14.865 1.00 53.03 H new ATOM 0 HD2 LYS A 43 16.690 -6.901 -13.011 1.00 43.44 H new ATOM 0 HD3 LYS A 43 15.825 -7.504 -14.411 1.00 43.44 H new ATOM 0 HE2 LYS A 43 17.921 -6.617 -15.755 1.00 41.23 H new ATOM 0 HE3 LYS A 43 18.718 -6.662 -14.195 1.00 41.23 H new ATOM 0 HZ1 LYS A 43 19.031 -8.725 -15.399 1.00 52.13 H new ATOM 0 HZ2 LYS A 43 18.125 -9.007 -13.991 1.00 52.13 H new ATOM 0 HZ3 LYS A 43 17.353 -8.963 -15.502 1.00 52.13 H new ATOM 715 N VAL A 44 12.584 -2.979 -13.152 1.00 51.23 N ATOM 716 CA VAL A 44 11.344 -2.800 -12.407 1.00 34.31 C ATOM 717 C VAL A 44 10.183 -3.514 -13.092 1.00 4.32 C ATOM 718 O VAL A 44 10.302 -3.958 -14.233 1.00 42.52 O ATOM 719 CB VAL A 44 10.993 -1.309 -12.249 1.00 44.31 C ATOM 720 CG1 VAL A 44 12.141 -0.557 -11.592 1.00 30.34 C ATOM 721 CG2 VAL A 44 10.649 -0.697 -13.599 1.00 34.14 C ATOM 0 H VAL A 44 12.470 -2.984 -14.166 1.00 51.23 H new ATOM 0 HA VAL A 44 11.503 -3.234 -11.420 1.00 34.31 H new ATOM 0 HB VAL A 44 10.118 -1.226 -11.604 1.00 44.31 H new ATOM 0 HG11 VAL A 44 11.875 0.495 -11.489 1.00 30.34 H new ATOM 0 HG12 VAL A 44 12.337 -0.980 -10.607 1.00 30.34 H new ATOM 0 HG13 VAL A 44 13.035 -0.646 -12.209 1.00 30.34 H new ATOM 0 HG21 VAL A 44 10.403 0.357 -13.469 1.00 34.14 H new ATOM 0 HG22 VAL A 44 11.504 -0.790 -14.269 1.00 34.14 H new ATOM 0 HG23 VAL A 44 9.793 -1.219 -14.027 1.00 34.14 H new ATOM 731 N GLU A 45 9.062 -3.620 -12.386 1.00 55.53 N ATOM 732 CA GLU A 45 7.879 -4.280 -12.927 1.00 43.12 C ATOM 733 C GLU A 45 6.638 -3.413 -12.739 1.00 12.31 C ATOM 734 O GLU A 45 6.389 -2.894 -11.651 1.00 15.42 O ATOM 735 CB GLU A 45 7.673 -5.638 -12.253 1.00 42.02 C ATOM 736 CG GLU A 45 6.707 -6.546 -12.996 1.00 12.54 C ATOM 737 CD GLU A 45 7.122 -8.003 -12.949 1.00 24.12 C ATOM 738 OE1 GLU A 45 7.218 -8.557 -11.833 1.00 53.52 O ATOM 739 OE2 GLU A 45 7.352 -8.590 -14.027 1.00 5.04 O ATOM 0 H GLU A 45 8.948 -3.258 -11.439 1.00 55.53 H new ATOM 0 HA GLU A 45 8.036 -4.432 -13.995 1.00 43.12 H new ATOM 0 HB2 GLU A 45 8.636 -6.140 -12.165 1.00 42.02 H new ATOM 0 HB3 GLU A 45 7.303 -5.479 -11.240 1.00 42.02 H new ATOM 0 HG2 GLU A 45 5.712 -6.442 -12.564 1.00 12.54 H new ATOM 0 HG3 GLU A 45 6.639 -6.225 -14.035 1.00 12.54 H new ATOM 746 N VAL A 46 5.862 -3.260 -13.808 1.00 3.14 N ATOM 747 CA VAL A 46 4.646 -2.457 -13.761 1.00 44.44 C ATOM 748 C VAL A 46 3.520 -3.118 -14.547 1.00 61.52 C ATOM 749 O VAL A 46 3.639 -3.345 -15.750 1.00 64.44 O ATOM 750 CB VAL A 46 4.887 -1.042 -14.322 1.00 75.21 C ATOM 751 CG1 VAL A 46 5.476 -1.116 -15.722 1.00 42.32 C ATOM 752 CG2 VAL A 46 3.593 -0.242 -14.321 1.00 34.41 C ATOM 0 H VAL A 46 6.054 -3.682 -14.717 1.00 3.14 H new ATOM 0 HA VAL A 46 4.357 -2.381 -12.713 1.00 44.44 H new ATOM 0 HB VAL A 46 5.604 -0.532 -13.679 1.00 75.21 H new ATOM 0 HG11 VAL A 46 5.639 -0.107 -16.102 1.00 42.32 H new ATOM 0 HG12 VAL A 46 6.426 -1.650 -15.689 1.00 42.32 H new ATOM 0 HG13 VAL A 46 4.786 -1.644 -16.380 1.00 42.32 H new ATOM 0 HG21 VAL A 46 3.781 0.755 -14.720 1.00 34.41 H new ATOM 0 HG22 VAL A 46 2.852 -0.747 -14.941 1.00 34.41 H new ATOM 0 HG23 VAL A 46 3.217 -0.159 -13.301 1.00 34.41 H new ATOM 762 N ASN A 47 2.426 -3.426 -13.858 1.00 0.51 N ATOM 763 CA ASN A 47 1.277 -4.062 -14.492 1.00 30.04 C ATOM 764 C ASN A 47 1.704 -5.301 -15.272 1.00 74.52 C ATOM 765 O ASN A 47 1.150 -5.602 -16.330 1.00 65.22 O ATOM 766 CB ASN A 47 0.572 -3.076 -15.425 1.00 15.34 C ATOM 767 CG ASN A 47 -0.939 -3.193 -15.354 1.00 42.53 C ATOM 768 OD1 ASN A 47 -1.490 -4.292 -15.398 1.00 31.41 O ATOM 769 ND2 ASN A 47 -1.616 -2.055 -15.245 1.00 24.20 N ATOM 0 H ASN A 47 2.311 -3.245 -12.861 1.00 0.51 H new ATOM 0 HA ASN A 47 0.584 -4.368 -13.708 1.00 30.04 H new ATOM 0 HB2 ASN A 47 0.868 -2.059 -15.166 1.00 15.34 H new ATOM 0 HB3 ASN A 47 0.900 -3.252 -16.450 1.00 15.34 H new ATOM 0 HD21 ASN A 47 -2.635 -2.070 -15.194 1.00 24.20 H new ATOM 0 HD22 ASN A 47 -1.117 -1.166 -15.212 1.00 24.20 H new ATOM 776 N ASP A 48 2.690 -6.017 -14.743 1.00 12.22 N ATOM 777 CA ASP A 48 3.190 -7.225 -15.388 1.00 40.14 C ATOM 778 C ASP A 48 3.808 -6.900 -16.745 1.00 20.12 C ATOM 779 O ASP A 48 3.622 -7.635 -17.715 1.00 22.34 O ATOM 780 CB ASP A 48 2.061 -8.243 -15.559 1.00 10.50 C ATOM 781 CG ASP A 48 2.579 -9.644 -15.816 1.00 73.02 C ATOM 782 OD1 ASP A 48 3.531 -10.061 -15.124 1.00 62.33 O ATOM 783 OD2 ASP A 48 2.031 -10.324 -16.709 1.00 11.13 O ATOM 0 H ASP A 48 3.159 -5.781 -13.868 1.00 12.22 H new ATOM 0 HA ASP A 48 3.962 -7.655 -14.750 1.00 40.14 H new ATOM 0 HB2 ASP A 48 1.440 -8.247 -14.663 1.00 10.50 H new ATOM 0 HB3 ASP A 48 1.422 -7.937 -16.388 1.00 10.50 H new ATOM 788 N ARG A 49 4.542 -5.794 -16.805 1.00 65.11 N ATOM 789 CA ARG A 49 5.186 -5.371 -18.043 1.00 52.20 C ATOM 790 C ARG A 49 6.665 -5.074 -17.813 1.00 53.51 C ATOM 791 O ARG A 49 7.116 -4.967 -16.673 1.00 74.00 O ATOM 792 CB ARG A 49 4.488 -4.132 -18.608 1.00 75.40 C ATOM 793 CG ARG A 49 4.191 -4.226 -20.096 1.00 4.11 C ATOM 794 CD ARG A 49 4.408 -2.891 -20.792 1.00 32.21 C ATOM 795 NE ARG A 49 3.175 -2.114 -20.880 1.00 54.15 N ATOM 796 CZ ARG A 49 2.184 -2.400 -21.718 1.00 31.33 C ATOM 797 NH1 ARG A 49 2.281 -3.441 -22.534 1.00 11.24 N ATOM 798 NH2 ARG A 49 1.093 -1.645 -21.740 1.00 31.45 N ATOM 0 H ARG A 49 4.706 -5.175 -16.011 1.00 65.11 H new ATOM 0 HA ARG A 49 5.104 -6.186 -18.762 1.00 52.20 H new ATOM 0 HB2 ARG A 49 3.554 -3.974 -18.069 1.00 75.40 H new ATOM 0 HB3 ARG A 49 5.113 -3.258 -18.425 1.00 75.40 H new ATOM 0 HG2 ARG A 49 4.832 -4.982 -20.549 1.00 4.11 H new ATOM 0 HG3 ARG A 49 3.161 -4.551 -20.243 1.00 4.11 H new ATOM 0 HD2 ARG A 49 5.160 -2.318 -20.250 1.00 32.21 H new ATOM 0 HD3 ARG A 49 4.800 -3.064 -21.794 1.00 32.21 H new ATOM 0 HE ARG A 49 3.068 -1.308 -20.265 1.00 54.15 H new ATOM 0 HH11 ARG A 49 3.118 -4.024 -22.519 1.00 11.24 H new ATOM 0 HH12 ARG A 49 1.519 -3.658 -23.176 1.00 11.24 H new ATOM 0 HH21 ARG A 49 1.014 -0.844 -21.113 1.00 31.45 H new ATOM 0 HH22 ARG A 49 0.333 -1.866 -22.384 1.00 31.45 H new ATOM 812 N GLN A 50 7.413 -4.942 -18.904 1.00 11.44 N ATOM 813 CA GLN A 50 8.841 -4.658 -18.820 1.00 72.00 C ATOM 814 C GLN A 50 9.220 -3.499 -19.736 1.00 62.43 C ATOM 815 O GLN A 50 8.616 -3.305 -20.790 1.00 43.13 O ATOM 816 CB GLN A 50 9.652 -5.902 -19.188 1.00 54.33 C ATOM 817 CG GLN A 50 9.575 -6.263 -20.663 1.00 20.31 C ATOM 818 CD GLN A 50 10.826 -5.872 -21.425 1.00 74.43 C ATOM 819 OE1 GLN A 50 11.936 -5.940 -20.897 1.00 34.34 O ATOM 820 NE2 GLN A 50 10.652 -5.460 -22.676 1.00 24.13 N ATOM 0 H GLN A 50 7.055 -5.027 -19.855 1.00 11.44 H new ATOM 0 HA GLN A 50 9.070 -4.375 -17.793 1.00 72.00 H new ATOM 0 HB2 GLN A 50 10.695 -5.739 -18.916 1.00 54.33 H new ATOM 0 HB3 GLN A 50 9.296 -6.746 -18.597 1.00 54.33 H new ATOM 0 HG2 GLN A 50 9.414 -7.336 -20.763 1.00 20.31 H new ATOM 0 HG3 GLN A 50 8.712 -5.768 -21.110 1.00 20.31 H new ATOM 0 HE21 GLN A 50 9.714 -5.419 -23.074 1.00 24.13 H new ATOM 0 HE22 GLN A 50 11.457 -5.184 -23.239 1.00 24.13 H new ATOM 829 N GLY A 51 10.225 -2.732 -19.326 1.00 45.43 N ATOM 830 CA GLY A 51 10.668 -1.601 -20.122 1.00 33.33 C ATOM 831 C GLY A 51 11.730 -0.778 -19.420 1.00 33.43 C ATOM 832 O GLY A 51 11.731 -0.669 -18.193 1.00 71.23 O ATOM 0 H GLY A 51 10.741 -2.873 -18.457 1.00 45.43 H new ATOM 0 HA2 GLY A 51 11.062 -1.962 -21.072 1.00 33.33 H new ATOM 0 HA3 GLY A 51 9.813 -0.965 -20.352 1.00 33.33 H new ATOM 836 N PHE A 52 12.638 -0.199 -20.198 1.00 55.21 N ATOM 837 CA PHE A 52 13.712 0.616 -19.643 1.00 51.33 C ATOM 838 C PHE A 52 13.156 1.686 -18.708 1.00 34.22 C ATOM 839 O PHE A 52 12.308 2.488 -19.098 1.00 54.34 O ATOM 840 CB PHE A 52 14.515 1.274 -20.768 1.00 34.22 C ATOM 841 CG PHE A 52 15.750 0.510 -21.148 1.00 65.51 C ATOM 842 CD1 PHE A 52 16.770 0.314 -20.231 1.00 2.54 C ATOM 843 CD2 PHE A 52 15.893 -0.013 -22.423 1.00 74.33 C ATOM 844 CE1 PHE A 52 17.909 -0.389 -20.577 1.00 54.31 C ATOM 845 CE2 PHE A 52 17.028 -0.718 -22.775 1.00 44.45 C ATOM 846 CZ PHE A 52 18.038 -0.904 -21.852 1.00 22.53 C ATOM 0 H PHE A 52 12.652 -0.279 -21.215 1.00 55.21 H new ATOM 0 HA PHE A 52 14.370 -0.037 -19.069 1.00 51.33 H new ATOM 0 HB2 PHE A 52 13.877 1.378 -21.646 1.00 34.22 H new ATOM 0 HB3 PHE A 52 14.800 2.280 -20.460 1.00 34.22 H new ATOM 0 HD1 PHE A 52 16.674 0.716 -19.233 1.00 2.54 H new ATOM 0 HD2 PHE A 52 15.108 0.132 -23.150 1.00 74.33 H new ATOM 0 HE1 PHE A 52 18.696 -0.535 -19.852 1.00 54.31 H new ATOM 0 HE2 PHE A 52 17.125 -1.123 -23.771 1.00 44.45 H new ATOM 0 HZ PHE A 52 18.928 -1.451 -22.127 1.00 22.53 H new ATOM 856 N VAL A 53 13.639 1.690 -17.470 1.00 0.04 N ATOM 857 CA VAL A 53 13.192 2.660 -16.477 1.00 54.24 C ATOM 858 C VAL A 53 14.376 3.344 -15.805 1.00 2.53 C ATOM 859 O VAL A 53 14.899 2.881 -14.791 1.00 12.12 O ATOM 860 CB VAL A 53 12.316 1.996 -15.398 1.00 53.24 C ATOM 861 CG1 VAL A 53 11.885 3.018 -14.357 1.00 24.33 C ATOM 862 CG2 VAL A 53 11.106 1.327 -16.033 1.00 14.15 C ATOM 0 H VAL A 53 14.340 1.032 -17.130 1.00 0.04 H new ATOM 0 HA VAL A 53 12.599 3.405 -17.007 1.00 54.24 H new ATOM 0 HB VAL A 53 12.906 1.229 -14.896 1.00 53.24 H new ATOM 0 HG11 VAL A 53 11.267 2.531 -13.603 1.00 24.33 H new ATOM 0 HG12 VAL A 53 12.767 3.447 -13.881 1.00 24.33 H new ATOM 0 HG13 VAL A 53 11.312 3.810 -14.840 1.00 24.33 H new ATOM 0 HG21 VAL A 53 10.498 0.863 -15.257 1.00 14.15 H new ATOM 0 HG22 VAL A 53 10.513 2.074 -16.561 1.00 14.15 H new ATOM 0 HG23 VAL A 53 11.439 0.565 -16.737 1.00 14.15 H new ATOM 872 N PRO A 54 14.811 4.475 -16.380 1.00 44.13 N ATOM 873 CA PRO A 54 15.939 5.249 -15.852 1.00 61.25 C ATOM 874 C PRO A 54 15.604 5.934 -14.532 1.00 44.21 C ATOM 875 O PRO A 54 14.763 6.831 -14.483 1.00 42.13 O ATOM 876 CB PRO A 54 16.197 6.290 -16.945 1.00 24.42 C ATOM 877 CG PRO A 54 14.890 6.439 -17.643 1.00 33.51 C ATOM 878 CD PRO A 54 14.236 5.085 -17.591 1.00 11.45 C ATOM 0 HA PRO A 54 16.800 4.618 -15.634 1.00 61.25 H new ATOM 0 HB2 PRO A 54 16.528 7.237 -16.519 1.00 24.42 H new ATOM 0 HB3 PRO A 54 16.977 5.959 -17.631 1.00 24.42 H new ATOM 0 HG2 PRO A 54 14.270 7.191 -17.154 1.00 33.51 H new ATOM 0 HG3 PRO A 54 15.033 6.764 -18.674 1.00 33.51 H new ATOM 0 HD2 PRO A 54 13.151 5.165 -17.524 1.00 11.45 H new ATOM 0 HD3 PRO A 54 14.458 4.497 -18.481 1.00 11.45 H new ATOM 886 N ALA A 55 16.269 5.506 -13.463 1.00 55.25 N ATOM 887 CA ALA A 55 16.043 6.081 -12.143 1.00 71.30 C ATOM 888 C ALA A 55 16.428 7.556 -12.113 1.00 63.20 C ATOM 889 O ALA A 55 15.831 8.349 -11.386 1.00 34.51 O ATOM 890 CB ALA A 55 16.824 5.308 -11.091 1.00 33.34 C ATOM 0 H ALA A 55 16.968 4.764 -13.486 1.00 55.25 H new ATOM 0 HA ALA A 55 14.979 6.006 -11.918 1.00 71.30 H new ATOM 0 HB1 ALA A 55 16.646 5.748 -10.110 1.00 33.34 H new ATOM 0 HB2 ALA A 55 16.498 4.268 -11.087 1.00 33.34 H new ATOM 0 HB3 ALA A 55 17.888 5.353 -11.322 1.00 33.34 H new ATOM 896 N ALA A 56 17.431 7.917 -12.907 1.00 71.11 N ATOM 897 CA ALA A 56 17.895 9.297 -12.972 1.00 50.20 C ATOM 898 C ALA A 56 16.825 10.209 -13.563 1.00 61.24 C ATOM 899 O ALA A 56 16.914 11.433 -13.463 1.00 71.31 O ATOM 900 CB ALA A 56 19.176 9.385 -13.788 1.00 2.41 C ATOM 0 H ALA A 56 17.938 7.273 -13.514 1.00 71.11 H new ATOM 0 HA ALA A 56 18.101 9.633 -11.956 1.00 50.20 H new ATOM 0 HB1 ALA A 56 19.511 10.421 -13.828 1.00 2.41 H new ATOM 0 HB2 ALA A 56 19.947 8.772 -13.322 1.00 2.41 H new ATOM 0 HB3 ALA A 56 18.989 9.025 -14.800 1.00 2.41 H new ATOM 906 N TYR A 57 15.815 9.605 -14.180 1.00 43.22 N ATOM 907 CA TYR A 57 14.730 10.363 -14.791 1.00 13.23 C ATOM 908 C TYR A 57 13.449 10.237 -13.971 1.00 41.31 C ATOM 909 O TYR A 57 12.361 10.568 -14.443 1.00 21.04 O ATOM 910 CB TYR A 57 14.483 9.879 -16.221 1.00 11.24 C ATOM 911 CG TYR A 57 14.607 10.971 -17.259 1.00 74.03 C ATOM 912 CD1 TYR A 57 13.532 11.800 -17.556 1.00 1.22 C ATOM 913 CD2 TYR A 57 15.799 11.174 -17.944 1.00 31.25 C ATOM 914 CE1 TYR A 57 13.641 12.798 -18.505 1.00 13.44 C ATOM 915 CE2 TYR A 57 15.917 12.170 -18.893 1.00 0.51 C ATOM 916 CZ TYR A 57 14.835 12.980 -19.170 1.00 61.32 C ATOM 917 OH TYR A 57 14.948 13.974 -20.115 1.00 74.20 O ATOM 0 H TYR A 57 15.725 8.593 -14.270 1.00 43.22 H new ATOM 0 HA TYR A 57 15.023 11.413 -14.816 1.00 13.23 H new ATOM 0 HB2 TYR A 57 15.192 9.085 -16.455 1.00 11.24 H new ATOM 0 HB3 TYR A 57 13.486 9.443 -16.281 1.00 11.24 H new ATOM 0 HD1 TYR A 57 12.595 11.662 -17.036 1.00 1.22 H new ATOM 0 HD2 TYR A 57 16.648 10.542 -17.730 1.00 31.25 H new ATOM 0 HE1 TYR A 57 12.795 13.432 -18.725 1.00 13.44 H new ATOM 0 HE2 TYR A 57 16.851 12.314 -19.416 1.00 0.51 H new ATOM 0 HH TYR A 57 15.854 13.969 -20.489 1.00 74.20 H new ATOM 927 N VAL A 58 13.588 9.757 -12.739 1.00 75.03 N ATOM 928 CA VAL A 58 12.443 9.588 -11.852 1.00 4.35 C ATOM 929 C VAL A 58 12.840 9.810 -10.396 1.00 53.02 C ATOM 930 O VAL A 58 13.993 9.606 -10.017 1.00 21.11 O ATOM 931 CB VAL A 58 11.823 8.186 -11.995 1.00 63.23 C ATOM 932 CG1 VAL A 58 12.727 7.135 -11.369 1.00 5.22 C ATOM 933 CG2 VAL A 58 10.437 8.150 -11.370 1.00 22.23 C ATOM 0 H VAL A 58 14.481 9.479 -12.333 1.00 75.03 H new ATOM 0 HA VAL A 58 11.704 10.334 -12.143 1.00 4.35 H new ATOM 0 HB VAL A 58 11.724 7.959 -13.056 1.00 63.23 H new ATOM 0 HG11 VAL A 58 12.272 6.151 -11.480 1.00 5.22 H new ATOM 0 HG12 VAL A 58 13.696 7.145 -11.868 1.00 5.22 H new ATOM 0 HG13 VAL A 58 12.862 7.355 -10.310 1.00 5.22 H new ATOM 0 HG21 VAL A 58 10.014 7.152 -11.480 1.00 22.23 H new ATOM 0 HG22 VAL A 58 10.509 8.399 -10.311 1.00 22.23 H new ATOM 0 HG23 VAL A 58 9.794 8.874 -11.870 1.00 22.23 H new ATOM 943 N LYS A 59 11.876 10.229 -9.583 1.00 74.05 N ATOM 944 CA LYS A 59 12.122 10.477 -8.168 1.00 14.30 C ATOM 945 C LYS A 59 11.082 9.772 -7.303 1.00 62.50 C ATOM 946 O LYS A 59 9.879 9.948 -7.492 1.00 55.20 O ATOM 947 CB LYS A 59 12.103 11.981 -7.882 1.00 73.40 C ATOM 948 CG LYS A 59 13.242 12.739 -8.541 1.00 13.42 C ATOM 949 CD LYS A 59 13.121 14.237 -8.311 1.00 31.43 C ATOM 950 CE LYS A 59 14.044 15.018 -9.232 1.00 45.34 C ATOM 951 NZ LYS A 59 13.698 16.466 -9.267 1.00 53.21 N ATOM 0 H LYS A 59 10.916 10.404 -9.881 1.00 74.05 H new ATOM 0 HA LYS A 59 13.106 10.078 -7.921 1.00 14.30 H new ATOM 0 HB2 LYS A 59 11.155 12.396 -8.225 1.00 73.40 H new ATOM 0 HB3 LYS A 59 12.148 12.138 -6.804 1.00 73.40 H new ATOM 0 HG2 LYS A 59 14.194 12.385 -8.145 1.00 13.42 H new ATOM 0 HG3 LYS A 59 13.246 12.533 -9.611 1.00 13.42 H new ATOM 0 HD2 LYS A 59 12.090 14.550 -8.477 1.00 31.43 H new ATOM 0 HD3 LYS A 59 13.361 14.467 -7.273 1.00 31.43 H new ATOM 0 HE2 LYS A 59 15.075 14.899 -8.899 1.00 45.34 H new ATOM 0 HE3 LYS A 59 13.985 14.606 -10.239 1.00 45.34 H new ATOM 0 HZ1 LYS A 59 14.350 16.963 -9.906 1.00 53.21 H new ATOM 0 HZ2 LYS A 59 12.723 16.582 -9.609 1.00 53.21 H new ATOM 0 HZ3 LYS A 59 13.779 16.865 -8.310 1.00 53.21 H new ATOM 965 N LYS A 60 11.554 8.972 -6.352 1.00 44.34 N ATOM 966 CA LYS A 60 10.667 8.242 -5.456 1.00 32.43 C ATOM 967 C LYS A 60 10.632 8.891 -4.076 1.00 50.10 C ATOM 968 O LYS A 60 11.624 9.464 -3.623 1.00 71.01 O ATOM 969 CB LYS A 60 11.118 6.784 -5.334 1.00 1.42 C ATOM 970 CG LYS A 60 12.395 6.608 -4.531 1.00 3.42 C ATOM 971 CD LYS A 60 13.117 5.324 -4.905 1.00 14.42 C ATOM 972 CE LYS A 60 14.590 5.574 -5.185 1.00 45.53 C ATOM 973 NZ LYS A 60 15.286 6.169 -4.010 1.00 74.02 N ATOM 0 H LYS A 60 12.547 8.813 -6.183 1.00 44.34 H new ATOM 0 HA LYS A 60 9.662 8.271 -5.878 1.00 32.43 H new ATOM 0 HB2 LYS A 60 10.322 6.204 -4.867 1.00 1.42 H new ATOM 0 HB3 LYS A 60 11.267 6.374 -6.333 1.00 1.42 H new ATOM 0 HG2 LYS A 60 13.053 7.460 -4.702 1.00 3.42 H new ATOM 0 HG3 LYS A 60 12.158 6.597 -3.467 1.00 3.42 H new ATOM 0 HD2 LYS A 60 13.017 4.600 -4.096 1.00 14.42 H new ATOM 0 HD3 LYS A 60 12.648 4.885 -5.785 1.00 14.42 H new ATOM 0 HE2 LYS A 60 15.073 4.635 -5.455 1.00 45.53 H new ATOM 0 HE3 LYS A 60 14.689 6.241 -6.041 1.00 45.53 H new ATOM 0 HZ1 LYS A 60 16.314 6.061 -4.124 1.00 74.02 H new ATOM 0 HZ2 LYS A 60 15.050 7.180 -3.942 1.00 74.02 H new ATOM 0 HZ3 LYS A 60 14.981 5.683 -3.143 1.00 74.02 H new ATOM 987 N LEU A 61 9.485 8.797 -3.412 1.00 4.32 N ATOM 988 CA LEU A 61 9.322 9.375 -2.082 1.00 70.31 C ATOM 989 C LEU A 61 9.474 10.892 -2.125 1.00 24.23 C ATOM 990 O LEU A 61 9.909 11.510 -1.152 1.00 73.44 O ATOM 991 CB LEU A 61 10.344 8.775 -1.115 1.00 63.01 C ATOM 992 CG LEU A 61 9.815 8.390 0.267 1.00 63.00 C ATOM 993 CD1 LEU A 61 10.031 6.907 0.527 1.00 52.21 C ATOM 994 CD2 LEU A 61 10.487 9.226 1.347 1.00 71.21 C ATOM 0 H LEU A 61 8.655 8.327 -3.772 1.00 4.32 H new ATOM 0 HA LEU A 61 8.317 9.139 -1.731 1.00 70.31 H new ATOM 0 HB2 LEU A 61 10.774 7.887 -1.578 1.00 63.01 H new ATOM 0 HB3 LEU A 61 11.155 9.491 -0.985 1.00 63.01 H new ATOM 0 HG LEU A 61 8.744 8.590 0.294 1.00 63.00 H new ATOM 0 HD11 LEU A 61 9.648 6.651 1.515 1.00 52.21 H new ATOM 0 HD12 LEU A 61 9.503 6.325 -0.228 1.00 52.21 H new ATOM 0 HD13 LEU A 61 11.096 6.681 0.481 1.00 52.21 H new ATOM 0 HD21 LEU A 61 10.098 8.939 2.324 1.00 71.21 H new ATOM 0 HD22 LEU A 61 11.564 9.057 1.321 1.00 71.21 H new ATOM 0 HD23 LEU A 61 10.281 10.282 1.171 1.00 71.21 H new ATOM 1006 N ASP A 62 9.112 11.486 -3.256 1.00 64.14 N ATOM 1007 CA ASP A 62 9.206 12.931 -3.425 1.00 14.41 C ATOM 1008 C ASP A 62 8.278 13.410 -4.538 1.00 24.31 C ATOM 1009 O ASP A 62 8.414 14.547 -4.987 1.00 74.31 O ATOM 1010 CB ASP A 62 10.647 13.338 -3.735 1.00 10.31 C ATOM 1011 CG ASP A 62 11.031 14.652 -3.082 1.00 72.25 C ATOM 1012 OD1 ASP A 62 10.157 15.537 -2.972 1.00 71.32 O ATOM 1013 OD2 ASP A 62 12.206 14.795 -2.683 1.00 15.31 O ATOM 0 H ASP A 62 8.750 10.989 -4.070 1.00 64.14 H new ATOM 0 HA ASP A 62 8.897 13.401 -2.491 1.00 14.41 H new ATOM 0 HB2 ASP A 62 11.324 12.555 -3.394 1.00 10.31 H new ATOM 0 HB3 ASP A 62 10.774 13.421 -4.814 1.00 10.31 H new HETATM 1018 N NH2 A 90 7.368 12.542 -4.954 1.00 61.42 N TER 1019 NH2 A 90