USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 460 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 19 LYS NZ :NH3+ 153:sc= 1.21 (180deg=0.707) USER MOD Single : A 21 LYS NZ :NH3+ 127:sc= 1.26 (180deg=-0.526) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 31 GLN : amide:sc= 0.814 K(o=0.81,f=-5.7!) USER MOD Single : A 33 ASN : amide:sc= -0.685 K(o=-0.68,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl 168:sc= -0.208 (180deg=-0.593) USER MOD Single : A 42 HIS : no HE2:sc= -0.281 K(o=-0.28,f=-1.4) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -162:sc= 0.413 (180deg=0.0874) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 77:sc= -0.702 USER MOD Single : A 59 THR OG1 : rot 86:sc= 1.34 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 72:sc= 1.09 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0632 X(o=-0.063,f=-0.046) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 19 -0.142 -0.235 -0.231 1.00 71.23 N ATOM 2 CA LYS A 19 0.596 -0.151 -1.514 1.00 30.03 C ATOM 3 C LYS A 19 -0.303 0.378 -2.628 1.00 73.42 C ATOM 4 O LYS A 19 -0.235 -0.080 -3.769 1.00 35.54 O ATOM 5 CB LYS A 19 1.144 -1.531 -1.878 1.00 1.44 C ATOM 6 CG LYS A 19 2.151 -2.042 -0.868 1.00 65.21 C ATOM 7 CD LYS A 19 2.491 -3.498 -1.095 1.00 34.03 C ATOM 8 CE LYS A 19 3.509 -3.981 -0.078 1.00 75.10 C ATOM 9 NZ LYS A 19 3.036 -3.794 1.321 1.00 73.31 N ATOM 0 HA LYS A 19 1.425 0.547 -1.397 1.00 30.03 H new ATOM 0 HB2 LYS A 19 0.318 -2.238 -1.952 1.00 1.44 H new ATOM 0 HB3 LYS A 19 1.612 -1.484 -2.861 1.00 1.44 H new ATOM 0 HG2 LYS A 19 3.060 -1.444 -0.928 1.00 65.21 H new ATOM 0 HG3 LYS A 19 1.752 -1.915 0.138 1.00 65.21 H new ATOM 0 HD2 LYS A 19 1.586 -4.102 -1.025 1.00 34.03 H new ATOM 0 HD3 LYS A 19 2.886 -3.631 -2.102 1.00 34.03 H new ATOM 0 HE2 LYS A 19 3.720 -5.036 -0.251 1.00 75.10 H new ATOM 0 HE3 LYS A 19 4.445 -3.441 -0.219 1.00 75.10 H new ATOM 0 HZ1 LYS A 19 3.487 -4.500 1.937 1.00 73.31 H new ATOM 0 HZ2 LYS A 19 3.287 -2.839 1.648 1.00 73.31 H new ATOM 0 HZ3 LYS A 19 2.003 -3.912 1.357 1.00 73.31 H new ATOM 25 N ASP A 20 -1.127 1.365 -2.293 1.00 20.31 N ATOM 26 CA ASP A 20 -2.036 1.971 -3.255 1.00 3.21 C ATOM 27 C ASP A 20 -1.935 3.493 -3.192 1.00 34.25 C ATOM 28 O ASP A 20 -2.906 4.189 -2.895 1.00 72.33 O ATOM 29 CB ASP A 20 -3.482 1.506 -3.009 1.00 11.24 C ATOM 30 CG ASP A 20 -3.975 1.779 -1.595 1.00 23.11 C ATOM 31 OD1 ASP A 20 -3.511 1.097 -0.653 1.00 2.12 O ATOM 32 OD2 ASP A 20 -4.841 2.660 -1.418 1.00 25.54 O ATOM 0 H ASP A 20 -1.183 1.763 -1.356 1.00 20.31 H new ATOM 0 HA ASP A 20 -1.747 1.648 -4.255 1.00 3.21 H new ATOM 0 HB2 ASP A 20 -4.142 2.006 -3.718 1.00 11.24 H new ATOM 0 HB3 ASP A 20 -3.550 0.437 -3.209 1.00 11.24 H new ATOM 37 N LYS A 21 -0.742 4.006 -3.455 1.00 20.00 N ATOM 38 CA LYS A 21 -0.517 5.445 -3.450 1.00 34.33 C ATOM 39 C LYS A 21 -0.655 5.981 -4.866 1.00 21.20 C ATOM 40 O LYS A 21 0.035 5.511 -5.773 1.00 74.34 O ATOM 41 CB LYS A 21 0.882 5.802 -2.919 1.00 52.31 C ATOM 42 CG LYS A 21 1.257 5.171 -1.582 1.00 51.22 C ATOM 43 CD LYS A 21 1.828 3.772 -1.765 1.00 70.43 C ATOM 44 CE LYS A 21 2.426 3.224 -0.476 1.00 44.42 C ATOM 45 NZ LYS A 21 1.407 3.043 0.590 1.00 0.41 N ATOM 0 H LYS A 21 0.084 3.449 -3.674 1.00 20.00 H new ATOM 0 HA LYS A 21 -1.259 5.896 -2.791 1.00 34.33 H new ATOM 0 HB2 LYS A 21 1.621 5.503 -3.662 1.00 52.31 H new ATOM 0 HB3 LYS A 21 0.949 6.886 -2.821 1.00 52.31 H new ATOM 0 HG2 LYS A 21 1.988 5.800 -1.074 1.00 51.22 H new ATOM 0 HG3 LYS A 21 0.377 5.125 -0.941 1.00 51.22 H new ATOM 0 HD2 LYS A 21 1.041 3.102 -2.112 1.00 70.43 H new ATOM 0 HD3 LYS A 21 2.594 3.792 -2.540 1.00 70.43 H new ATOM 0 HE2 LYS A 21 2.908 2.268 -0.680 1.00 44.42 H new ATOM 0 HE3 LYS A 21 3.202 3.903 -0.122 1.00 44.42 H new ATOM 0 HZ1 LYS A 21 1.455 2.070 0.955 1.00 0.41 H new ATOM 0 HZ2 LYS A 21 1.592 3.713 1.364 1.00 0.41 H new ATOM 0 HZ3 LYS A 21 0.460 3.219 0.198 1.00 0.41 H new ATOM 59 N ASP A 22 -1.541 6.946 -5.062 1.00 14.34 N ATOM 60 CA ASP A 22 -1.734 7.528 -6.384 1.00 51.31 C ATOM 61 C ASP A 22 -0.565 8.448 -6.713 1.00 14.13 C ATOM 62 O ASP A 22 -0.466 9.561 -6.192 1.00 1.03 O ATOM 63 CB ASP A 22 -3.050 8.315 -6.464 1.00 41.31 C ATOM 64 CG ASP A 22 -4.267 7.492 -6.085 1.00 72.22 C ATOM 65 OD1 ASP A 22 -4.587 6.516 -6.791 1.00 42.42 O ATOM 66 OD2 ASP A 22 -4.926 7.830 -5.079 1.00 45.34 O ATOM 0 H ASP A 22 -2.133 7.340 -4.331 1.00 14.34 H new ATOM 0 HA ASP A 22 -1.782 6.715 -7.109 1.00 51.31 H new ATOM 0 HB2 ASP A 22 -2.987 9.182 -5.806 1.00 41.31 H new ATOM 0 HB3 ASP A 22 -3.178 8.693 -7.478 1.00 41.31 H new ATOM 71 N LEU A 23 0.322 7.975 -7.574 1.00 31.13 N ATOM 72 CA LEU A 23 1.513 8.730 -7.941 1.00 50.41 C ATOM 73 C LEU A 23 1.279 9.493 -9.239 1.00 3.22 C ATOM 74 O LEU A 23 1.829 10.573 -9.451 1.00 24.02 O ATOM 75 CB LEU A 23 2.706 7.781 -8.093 1.00 4.32 C ATOM 76 CG LEU A 23 4.075 8.451 -8.176 1.00 63.34 C ATOM 77 CD1 LEU A 23 4.334 9.290 -6.933 1.00 74.21 C ATOM 78 CD2 LEU A 23 5.162 7.403 -8.353 1.00 1.34 C ATOM 0 H LEU A 23 0.240 7.068 -8.034 1.00 31.13 H new ATOM 0 HA LEU A 23 1.730 9.449 -7.151 1.00 50.41 H new ATOM 0 HB2 LEU A 23 2.709 7.092 -7.248 1.00 4.32 H new ATOM 0 HB3 LEU A 23 2.559 7.183 -8.992 1.00 4.32 H new ATOM 0 HG LEU A 23 4.088 9.113 -9.042 1.00 63.34 H new ATOM 0 HD11 LEU A 23 5.314 9.760 -7.009 1.00 74.21 H new ATOM 0 HD12 LEU A 23 3.568 10.060 -6.848 1.00 74.21 H new ATOM 0 HD13 LEU A 23 4.306 8.651 -6.050 1.00 74.21 H new ATOM 0 HD21 LEU A 23 6.134 7.893 -8.411 1.00 1.34 H new ATOM 0 HD22 LEU A 23 5.150 6.720 -7.504 1.00 1.34 H new ATOM 0 HD23 LEU A 23 4.982 6.844 -9.271 1.00 1.34 H new ATOM 90 N LEU A 24 0.455 8.916 -10.099 1.00 32.24 N ATOM 91 CA LEU A 24 0.106 9.525 -11.373 1.00 1.44 C ATOM 92 C LEU A 24 -1.406 9.557 -11.494 1.00 31.50 C ATOM 93 O LEU A 24 -2.090 8.851 -10.758 1.00 40.20 O ATOM 94 CB LEU A 24 0.708 8.723 -12.529 1.00 31.11 C ATOM 95 CG LEU A 24 2.224 8.533 -12.476 1.00 21.04 C ATOM 96 CD1 LEU A 24 2.665 7.516 -13.514 1.00 35.51 C ATOM 97 CD2 LEU A 24 2.938 9.859 -12.696 1.00 51.00 C ATOM 0 H LEU A 24 0.010 8.013 -9.934 1.00 32.24 H new ATOM 0 HA LEU A 24 0.505 10.538 -11.418 1.00 1.44 H new ATOM 0 HB2 LEU A 24 0.236 7.741 -12.552 1.00 31.11 H new ATOM 0 HB3 LEU A 24 0.454 9.220 -13.465 1.00 31.11 H new ATOM 0 HG LEU A 24 2.490 8.160 -11.487 1.00 21.04 H new ATOM 0 HD11 LEU A 24 3.747 7.391 -13.464 1.00 35.51 H new ATOM 0 HD12 LEU A 24 2.180 6.560 -13.316 1.00 35.51 H new ATOM 0 HD13 LEU A 24 2.385 7.866 -14.508 1.00 35.51 H new ATOM 0 HD21 LEU A 24 4.016 9.703 -12.655 1.00 51.00 H new ATOM 0 HD22 LEU A 24 2.667 10.261 -13.672 1.00 51.00 H new ATOM 0 HD23 LEU A 24 2.643 10.564 -11.919 1.00 51.00 H new ATOM 109 N LYS A 25 -1.934 10.376 -12.392 1.00 2.51 N ATOM 110 CA LYS A 25 -3.379 10.459 -12.565 1.00 52.44 C ATOM 111 C LYS A 25 -3.764 10.460 -14.041 1.00 70.13 C ATOM 112 O LYS A 25 -3.415 11.376 -14.784 1.00 34.31 O ATOM 113 CB LYS A 25 -3.927 11.720 -11.886 1.00 3.31 C ATOM 114 CG LYS A 25 -3.682 11.771 -10.383 1.00 2.22 C ATOM 115 CD LYS A 25 -4.090 13.112 -9.796 1.00 33.31 C ATOM 116 CE LYS A 25 -3.734 13.214 -8.319 1.00 32.41 C ATOM 117 NZ LYS A 25 -4.583 12.337 -7.468 1.00 71.34 N ATOM 0 H LYS A 25 -1.393 10.986 -13.005 1.00 2.51 H new ATOM 0 HA LYS A 25 -3.818 9.578 -12.098 1.00 52.44 H new ATOM 0 HB2 LYS A 25 -3.472 12.596 -12.348 1.00 3.31 H new ATOM 0 HB3 LYS A 25 -4.999 11.783 -12.071 1.00 3.31 H new ATOM 0 HG2 LYS A 25 -4.242 10.974 -9.895 1.00 2.22 H new ATOM 0 HG3 LYS A 25 -2.627 11.590 -10.179 1.00 2.22 H new ATOM 0 HD2 LYS A 25 -3.597 13.914 -10.345 1.00 33.31 H new ATOM 0 HD3 LYS A 25 -5.164 13.252 -9.922 1.00 33.31 H new ATOM 0 HE2 LYS A 25 -2.687 12.945 -8.181 1.00 32.41 H new ATOM 0 HE3 LYS A 25 -3.843 14.248 -7.992 1.00 32.41 H new ATOM 0 HZ1 LYS A 25 -4.302 12.442 -6.472 1.00 71.34 H new ATOM 0 HZ2 LYS A 25 -5.581 12.609 -7.577 1.00 71.34 H new ATOM 0 HZ3 LYS A 25 -4.460 11.346 -7.760 1.00 71.34 H new ATOM 131 N GLY A 26 -4.476 9.419 -14.457 1.00 65.05 N ATOM 132 CA GLY A 26 -5.062 9.388 -15.786 1.00 22.12 C ATOM 133 C GLY A 26 -4.081 9.032 -16.891 1.00 61.14 C ATOM 134 O GLY A 26 -4.416 9.139 -18.072 1.00 73.24 O ATOM 0 H GLY A 26 -4.659 8.589 -13.893 1.00 65.05 H new ATOM 0 HA2 GLY A 26 -5.879 8.666 -15.794 1.00 22.12 H new ATOM 0 HA3 GLY A 26 -5.497 10.364 -16.002 1.00 22.12 H new ATOM 138 N LEU A 27 -2.884 8.596 -16.523 1.00 11.35 N ATOM 139 CA LEU A 27 -1.858 8.281 -17.514 1.00 23.30 C ATOM 140 C LEU A 27 -2.097 6.923 -18.165 1.00 43.32 C ATOM 141 O LEU A 27 -2.756 6.046 -17.600 1.00 71.30 O ATOM 142 CB LEU A 27 -0.457 8.327 -16.895 1.00 64.43 C ATOM 143 CG LEU A 27 0.247 9.688 -16.964 1.00 33.35 C ATOM 144 CD1 LEU A 27 -0.483 10.725 -16.124 1.00 64.21 C ATOM 145 CD2 LEU A 27 1.695 9.560 -16.519 1.00 32.20 C ATOM 0 H LEU A 27 -2.599 8.452 -15.554 1.00 11.35 H new ATOM 0 HA LEU A 27 -1.923 9.044 -18.290 1.00 23.30 H new ATOM 0 HB2 LEU A 27 -0.530 8.027 -15.850 1.00 64.43 H new ATOM 0 HB3 LEU A 27 0.168 7.588 -17.396 1.00 64.43 H new ATOM 0 HG LEU A 27 0.231 10.025 -18.000 1.00 33.35 H new ATOM 0 HD11 LEU A 27 0.038 11.680 -16.191 1.00 64.21 H new ATOM 0 HD12 LEU A 27 -1.502 10.841 -16.493 1.00 64.21 H new ATOM 0 HD13 LEU A 27 -0.509 10.398 -15.084 1.00 64.21 H new ATOM 0 HD21 LEU A 27 2.180 10.535 -16.574 1.00 32.20 H new ATOM 0 HD22 LEU A 27 1.729 9.195 -15.493 1.00 32.20 H new ATOM 0 HD23 LEU A 27 2.215 8.858 -17.171 1.00 32.20 H new ATOM 157 N ASP A 28 -1.562 6.771 -19.367 1.00 22.35 N ATOM 158 CA ASP A 28 -1.685 5.536 -20.123 1.00 4.34 C ATOM 159 C ASP A 28 -0.421 4.684 -19.970 1.00 63.13 C ATOM 160 O ASP A 28 0.587 5.148 -19.432 1.00 41.11 O ATOM 161 CB ASP A 28 -1.945 5.858 -21.603 1.00 62.31 C ATOM 162 CG ASP A 28 -2.091 4.619 -22.468 1.00 1.11 C ATOM 163 OD1 ASP A 28 -3.179 4.007 -22.463 1.00 14.14 O ATOM 164 OD2 ASP A 28 -1.110 4.239 -23.137 1.00 33.20 O ATOM 0 H ASP A 28 -1.031 7.500 -19.844 1.00 22.35 H new ATOM 0 HA ASP A 28 -2.527 4.964 -19.733 1.00 4.34 H new ATOM 0 HB2 ASP A 28 -2.851 6.458 -21.684 1.00 62.31 H new ATOM 0 HB3 ASP A 28 -1.125 6.466 -21.985 1.00 62.31 H new ATOM 169 N GLN A 29 -0.490 3.450 -20.455 1.00 34.51 N ATOM 170 CA GLN A 29 0.607 2.491 -20.379 1.00 13.11 C ATOM 171 C GLN A 29 1.903 3.055 -20.960 1.00 44.23 C ATOM 172 O GLN A 29 2.962 2.940 -20.345 1.00 73.43 O ATOM 173 CB GLN A 29 0.199 1.215 -21.122 1.00 54.44 C ATOM 174 CG GLN A 29 1.321 0.211 -21.322 1.00 21.41 C ATOM 175 CD GLN A 29 1.642 0.001 -22.788 1.00 0.05 C ATOM 176 OE1 GLN A 29 2.499 0.680 -23.353 1.00 35.14 O ATOM 177 NE2 GLN A 29 0.940 -0.925 -23.420 1.00 34.03 N ATOM 0 H GLN A 29 -1.321 3.082 -20.919 1.00 34.51 H new ATOM 0 HA GLN A 29 0.802 2.270 -19.330 1.00 13.11 H new ATOM 0 HB2 GLN A 29 -0.608 0.732 -20.571 1.00 54.44 H new ATOM 0 HB3 GLN A 29 -0.201 1.491 -22.097 1.00 54.44 H new ATOM 0 HG2 GLN A 29 2.214 0.557 -20.802 1.00 21.41 H new ATOM 0 HG3 GLN A 29 1.039 -0.741 -20.873 1.00 21.41 H new ATOM 0 HE21 GLN A 29 0.238 -1.466 -22.915 1.00 34.03 H new ATOM 0 HE22 GLN A 29 1.100 -1.098 -24.412 1.00 34.03 H new ATOM 186 N GLU A 30 1.818 3.677 -22.130 1.00 72.12 N ATOM 187 CA GLU A 30 3.012 4.185 -22.798 1.00 34.31 C ATOM 188 C GLU A 30 3.615 5.362 -22.035 1.00 50.41 C ATOM 189 O GLU A 30 4.829 5.569 -22.053 1.00 44.13 O ATOM 190 CB GLU A 30 2.705 4.593 -24.239 1.00 2.10 C ATOM 191 CG GLU A 30 1.647 5.677 -24.364 1.00 25.03 C ATOM 192 CD GLU A 30 1.494 6.164 -25.786 1.00 2.54 C ATOM 193 OE1 GLU A 30 0.846 5.463 -26.592 1.00 53.13 O ATOM 194 OE2 GLU A 30 2.027 7.244 -26.106 1.00 23.15 O ATOM 0 H GLU A 30 0.945 3.841 -22.632 1.00 72.12 H new ATOM 0 HA GLU A 30 3.743 3.377 -22.815 1.00 34.31 H new ATOM 0 HB2 GLU A 30 3.624 4.941 -24.711 1.00 2.10 H new ATOM 0 HB3 GLU A 30 2.376 3.713 -24.792 1.00 2.10 H new ATOM 0 HG2 GLU A 30 0.691 5.292 -24.009 1.00 25.03 H new ATOM 0 HG3 GLU A 30 1.911 6.516 -23.721 1.00 25.03 H new ATOM 201 N GLN A 31 2.768 6.114 -21.348 1.00 13.34 N ATOM 202 CA GLN A 31 3.221 7.263 -20.579 1.00 14.03 C ATOM 203 C GLN A 31 3.855 6.793 -19.276 1.00 41.51 C ATOM 204 O GLN A 31 4.894 7.302 -18.847 1.00 4.42 O ATOM 205 CB GLN A 31 2.046 8.195 -20.285 1.00 72.04 C ATOM 206 CG GLN A 31 1.220 8.542 -21.514 1.00 75.44 C ATOM 207 CD GLN A 31 0.093 9.500 -21.197 1.00 3.23 C ATOM 208 OE1 GLN A 31 -1.004 9.085 -20.824 1.00 32.34 O ATOM 209 NE2 GLN A 31 0.350 10.786 -21.360 1.00 32.14 N ATOM 0 H GLN A 31 1.762 5.949 -21.307 1.00 13.34 H new ATOM 0 HA GLN A 31 3.964 7.810 -21.160 1.00 14.03 H new ATOM 0 HB2 GLN A 31 1.399 7.727 -19.543 1.00 72.04 H new ATOM 0 HB3 GLN A 31 2.426 9.115 -19.841 1.00 72.04 H new ATOM 0 HG2 GLN A 31 1.868 8.984 -22.271 1.00 75.44 H new ATOM 0 HG3 GLN A 31 0.808 7.628 -21.942 1.00 75.44 H new ATOM 0 HE21 GLN A 31 1.274 11.086 -21.671 1.00 32.14 H new ATOM 0 HE22 GLN A 31 -0.376 11.479 -21.175 1.00 32.14 H new ATOM 218 N ALA A 32 3.227 5.797 -18.661 1.00 3.44 N ATOM 219 CA ALA A 32 3.727 5.220 -17.422 1.00 25.40 C ATOM 220 C ALA A 32 4.997 4.417 -17.673 1.00 13.10 C ATOM 221 O ALA A 32 5.777 4.171 -16.756 1.00 32.15 O ATOM 222 CB ALA A 32 2.662 4.344 -16.775 1.00 64.21 C ATOM 0 H ALA A 32 2.366 5.371 -19.004 1.00 3.44 H new ATOM 0 HA ALA A 32 3.968 6.035 -16.739 1.00 25.40 H new ATOM 0 HB1 ALA A 32 3.052 3.920 -15.850 1.00 64.21 H new ATOM 0 HB2 ALA A 32 1.780 4.946 -16.555 1.00 64.21 H new ATOM 0 HB3 ALA A 32 2.390 3.538 -17.457 1.00 64.21 H new ATOM 228 N ASN A 33 5.194 4.015 -18.922 1.00 24.13 N ATOM 229 CA ASN A 33 6.392 3.285 -19.324 1.00 32.02 C ATOM 230 C ASN A 33 7.640 4.128 -19.068 1.00 74.43 C ATOM 231 O ASN A 33 8.635 3.637 -18.539 1.00 72.51 O ATOM 232 CB ASN A 33 6.303 2.900 -20.803 1.00 11.43 C ATOM 233 CG ASN A 33 7.518 2.134 -21.300 1.00 45.35 C ATOM 234 OD1 ASN A 33 7.910 2.270 -22.456 1.00 32.32 O ATOM 235 ND2 ASN A 33 8.109 1.312 -20.443 1.00 45.24 N ATOM 0 H ASN A 33 4.534 4.184 -19.681 1.00 24.13 H new ATOM 0 HA ASN A 33 6.463 2.374 -18.729 1.00 32.02 H new ATOM 0 HB2 ASN A 33 5.411 2.294 -20.960 1.00 11.43 H new ATOM 0 HB3 ASN A 33 6.183 3.804 -21.400 1.00 11.43 H new ATOM 0 HD21 ASN A 33 8.919 0.765 -20.736 1.00 45.24 H new ATOM 0 HD22 ASN A 33 7.754 1.226 -19.491 1.00 45.24 H new ATOM 242 N GLU A 34 7.572 5.407 -19.424 1.00 3.30 N ATOM 243 CA GLU A 34 8.671 6.328 -19.162 1.00 21.03 C ATOM 244 C GLU A 34 8.856 6.516 -17.663 1.00 62.43 C ATOM 245 O GLU A 34 9.977 6.554 -17.160 1.00 51.23 O ATOM 246 CB GLU A 34 8.402 7.685 -19.807 1.00 2.04 C ATOM 247 CG GLU A 34 8.346 7.653 -21.321 1.00 2.23 C ATOM 248 CD GLU A 34 8.041 9.018 -21.898 1.00 14.44 C ATOM 249 OE1 GLU A 34 8.975 9.832 -22.044 1.00 41.21 O ATOM 250 OE2 GLU A 34 6.858 9.291 -22.183 1.00 62.51 O ATOM 0 H GLU A 34 6.770 5.828 -19.893 1.00 3.30 H new ATOM 0 HA GLU A 34 9.578 5.901 -19.591 1.00 21.03 H new ATOM 0 HB2 GLU A 34 7.457 8.074 -19.428 1.00 2.04 H new ATOM 0 HB3 GLU A 34 9.181 8.382 -19.498 1.00 2.04 H new ATOM 0 HG2 GLU A 34 9.299 7.297 -21.713 1.00 2.23 H new ATOM 0 HG3 GLU A 34 7.584 6.943 -21.642 1.00 2.23 H new ATOM 257 N VAL A 35 7.738 6.622 -16.957 1.00 14.43 N ATOM 258 CA VAL A 35 7.755 6.867 -15.524 1.00 60.11 C ATOM 259 C VAL A 35 8.371 5.692 -14.769 1.00 23.31 C ATOM 260 O VAL A 35 9.260 5.879 -13.941 1.00 61.42 O ATOM 261 CB VAL A 35 6.336 7.137 -14.979 1.00 72.34 C ATOM 262 CG1 VAL A 35 6.384 7.476 -13.499 1.00 40.14 C ATOM 263 CG2 VAL A 35 5.667 8.255 -15.761 1.00 42.33 C ATOM 0 H VAL A 35 6.804 6.541 -17.358 1.00 14.43 H new ATOM 0 HA VAL A 35 8.368 7.754 -15.364 1.00 60.11 H new ATOM 0 HB VAL A 35 5.745 6.229 -15.102 1.00 72.34 H new ATOM 0 HG11 VAL A 35 5.373 7.663 -13.136 1.00 40.14 H new ATOM 0 HG12 VAL A 35 6.819 6.642 -12.949 1.00 40.14 H new ATOM 0 HG13 VAL A 35 6.994 8.367 -13.349 1.00 40.14 H new ATOM 0 HG21 VAL A 35 4.668 8.431 -15.362 1.00 42.33 H new ATOM 0 HG22 VAL A 35 6.259 9.166 -15.672 1.00 42.33 H new ATOM 0 HG23 VAL A 35 5.594 7.971 -16.811 1.00 42.33 H new ATOM 273 N ILE A 36 7.912 4.481 -15.071 1.00 31.52 N ATOM 274 CA ILE A 36 8.400 3.293 -14.382 1.00 64.02 C ATOM 275 C ILE A 36 9.892 3.087 -14.645 1.00 65.24 C ATOM 276 O ILE A 36 10.607 2.559 -13.796 1.00 3.40 O ATOM 277 CB ILE A 36 7.604 2.023 -14.778 1.00 71.11 C ATOM 278 CG1 ILE A 36 7.956 0.860 -13.848 1.00 74.43 C ATOM 279 CG2 ILE A 36 7.872 1.640 -16.227 1.00 24.25 C ATOM 280 CD1 ILE A 36 7.133 -0.389 -14.092 1.00 44.11 C ATOM 0 H ILE A 36 7.207 4.298 -15.785 1.00 31.52 H new ATOM 0 HA ILE A 36 8.249 3.458 -13.315 1.00 64.02 H new ATOM 0 HB ILE A 36 6.542 2.245 -14.676 1.00 71.11 H new ATOM 0 HG12 ILE A 36 9.012 0.617 -13.969 1.00 74.43 H new ATOM 0 HG13 ILE A 36 7.818 1.179 -12.815 1.00 74.43 H new ATOM 0 HG21 ILE A 36 7.301 0.746 -16.479 1.00 24.25 H new ATOM 0 HG22 ILE A 36 7.571 2.458 -16.881 1.00 24.25 H new ATOM 0 HG23 ILE A 36 8.935 1.441 -16.360 1.00 24.25 H new ATOM 0 HD11 ILE A 36 7.440 -1.169 -13.395 1.00 44.11 H new ATOM 0 HD12 ILE A 36 6.077 -0.164 -13.943 1.00 44.11 H new ATOM 0 HD13 ILE A 36 7.289 -0.734 -15.114 1.00 44.11 H new ATOM 292 N ALA A 37 10.359 3.535 -15.808 1.00 3.51 N ATOM 293 CA ALA A 37 11.777 3.468 -16.137 1.00 42.33 C ATOM 294 C ALA A 37 12.584 4.312 -15.156 1.00 21.41 C ATOM 295 O ALA A 37 13.659 3.911 -14.709 1.00 24.13 O ATOM 296 CB ALA A 37 12.017 3.934 -17.565 1.00 12.40 C ATOM 0 H ALA A 37 9.776 3.947 -16.536 1.00 3.51 H new ATOM 0 HA ALA A 37 12.105 2.431 -16.057 1.00 42.33 H new ATOM 0 HB1 ALA A 37 13.082 3.877 -17.792 1.00 12.40 H new ATOM 0 HB2 ALA A 37 11.464 3.295 -18.254 1.00 12.40 H new ATOM 0 HB3 ALA A 37 11.678 4.964 -17.673 1.00 12.40 H new ATOM 302 N VAL A 38 12.038 5.474 -14.806 1.00 1.22 N ATOM 303 CA VAL A 38 12.664 6.361 -13.834 1.00 33.22 C ATOM 304 C VAL A 38 12.792 5.666 -12.482 1.00 53.53 C ATOM 305 O VAL A 38 13.836 5.734 -11.834 1.00 61.14 O ATOM 306 CB VAL A 38 11.864 7.674 -13.673 1.00 75.03 C ATOM 307 CG1 VAL A 38 12.486 8.568 -12.609 1.00 52.40 C ATOM 308 CG2 VAL A 38 11.781 8.407 -15.003 1.00 75.13 C ATOM 0 H VAL A 38 11.158 5.823 -15.185 1.00 1.22 H new ATOM 0 HA VAL A 38 13.658 6.609 -14.206 1.00 33.22 H new ATOM 0 HB VAL A 38 10.855 7.419 -13.349 1.00 75.03 H new ATOM 0 HG11 VAL A 38 11.903 9.484 -12.517 1.00 52.40 H new ATOM 0 HG12 VAL A 38 12.493 8.045 -11.653 1.00 52.40 H new ATOM 0 HG13 VAL A 38 13.508 8.816 -12.894 1.00 52.40 H new ATOM 0 HG21 VAL A 38 11.215 9.330 -14.875 1.00 75.13 H new ATOM 0 HG22 VAL A 38 12.786 8.643 -15.352 1.00 75.13 H new ATOM 0 HG23 VAL A 38 11.282 7.774 -15.737 1.00 75.13 H new ATOM 318 N LEU A 39 11.736 4.973 -12.072 1.00 53.15 N ATOM 319 CA LEU A 39 11.749 4.231 -10.818 1.00 31.41 C ATOM 320 C LEU A 39 12.717 3.051 -10.902 1.00 23.23 C ATOM 321 O LEU A 39 13.530 2.833 -10.002 1.00 34.24 O ATOM 322 CB LEU A 39 10.342 3.722 -10.466 1.00 40.12 C ATOM 323 CG LEU A 39 9.375 4.758 -9.872 1.00 11.42 C ATOM 324 CD1 LEU A 39 9.997 5.437 -8.665 1.00 4.42 C ATOM 325 CD2 LEU A 39 8.960 5.791 -10.906 1.00 54.45 C ATOM 0 H LEU A 39 10.860 4.910 -12.590 1.00 53.15 H new ATOM 0 HA LEU A 39 12.082 4.910 -10.033 1.00 31.41 H new ATOM 0 HB2 LEU A 39 9.891 3.310 -11.369 1.00 40.12 H new ATOM 0 HB3 LEU A 39 10.442 2.901 -9.757 1.00 40.12 H new ATOM 0 HG LEU A 39 8.478 4.227 -9.553 1.00 11.42 H new ATOM 0 HD11 LEU A 39 9.298 6.167 -8.258 1.00 4.42 H new ATOM 0 HD12 LEU A 39 10.225 4.690 -7.905 1.00 4.42 H new ATOM 0 HD13 LEU A 39 10.915 5.942 -8.965 1.00 4.42 H new ATOM 0 HD21 LEU A 39 8.276 6.507 -10.451 1.00 54.45 H new ATOM 0 HD22 LEU A 39 9.843 6.315 -11.272 1.00 54.45 H new ATOM 0 HD23 LEU A 39 8.462 5.293 -11.738 1.00 54.45 H new ATOM 337 N GLN A 40 12.637 2.315 -12.005 1.00 54.34 N ATOM 338 CA GLN A 40 13.423 1.102 -12.193 1.00 24.52 C ATOM 339 C GLN A 40 14.921 1.402 -12.226 1.00 63.12 C ATOM 340 O GLN A 40 15.720 0.678 -11.630 1.00 2.45 O ATOM 341 CB GLN A 40 12.996 0.403 -13.483 1.00 23.14 C ATOM 342 CG GLN A 40 13.552 -1.000 -13.630 1.00 52.54 C ATOM 343 CD GLN A 40 13.051 -1.687 -14.882 1.00 14.12 C ATOM 344 OE1 GLN A 40 13.679 -1.617 -15.940 1.00 54.12 O ATOM 345 NE2 GLN A 40 11.909 -2.344 -14.776 1.00 30.24 N ATOM 0 H GLN A 40 12.028 2.542 -12.791 1.00 54.34 H new ATOM 0 HA GLN A 40 13.237 0.444 -11.344 1.00 24.52 H new ATOM 0 HB2 GLN A 40 11.907 0.358 -13.518 1.00 23.14 H new ATOM 0 HB3 GLN A 40 13.318 1.003 -14.334 1.00 23.14 H new ATOM 0 HG2 GLN A 40 14.641 -0.957 -13.653 1.00 52.54 H new ATOM 0 HG3 GLN A 40 13.275 -1.592 -12.758 1.00 52.54 H new ATOM 0 HE21 GLN A 40 11.421 -2.377 -13.881 1.00 30.24 H new ATOM 0 HE22 GLN A 40 11.516 -2.818 -15.589 1.00 30.24 H new ATOM 354 N MET A 41 15.303 2.482 -12.905 1.00 61.03 N ATOM 355 CA MET A 41 16.713 2.858 -12.999 1.00 63.02 C ATOM 356 C MET A 41 17.225 3.369 -11.655 1.00 61.00 C ATOM 357 O MET A 41 18.427 3.505 -11.447 1.00 14.21 O ATOM 358 CB MET A 41 16.938 3.922 -14.080 1.00 53.43 C ATOM 359 CG MET A 41 16.361 5.285 -13.735 1.00 43.04 C ATOM 360 SD MET A 41 16.727 6.537 -14.980 1.00 71.12 S ATOM 361 CE MET A 41 15.951 5.817 -16.427 1.00 35.24 C ATOM 0 H MET A 41 14.663 3.107 -13.394 1.00 61.03 H new ATOM 0 HA MET A 41 17.271 1.964 -13.277 1.00 63.02 H new ATOM 0 HB2 MET A 41 18.009 4.026 -14.256 1.00 53.43 H new ATOM 0 HB3 MET A 41 16.494 3.576 -15.014 1.00 53.43 H new ATOM 0 HG2 MET A 41 15.280 5.198 -13.621 1.00 43.04 H new ATOM 0 HG3 MET A 41 16.758 5.609 -12.773 1.00 43.04 H new ATOM 0 HE1 MET A 41 15.903 6.561 -17.222 1.00 35.24 H new ATOM 0 HE2 MET A 41 16.535 4.961 -16.765 1.00 35.24 H new ATOM 0 HE3 MET A 41 14.942 5.491 -16.174 1.00 35.24 H new ATOM 371 N HIS A 42 16.306 3.653 -10.742 1.00 34.11 N ATOM 372 CA HIS A 42 16.680 4.104 -9.409 1.00 3.54 C ATOM 373 C HIS A 42 16.669 2.933 -8.438 1.00 75.24 C ATOM 374 O HIS A 42 16.921 3.101 -7.245 1.00 34.55 O ATOM 375 CB HIS A 42 15.748 5.218 -8.923 1.00 1.02 C ATOM 376 CG HIS A 42 15.900 6.498 -9.689 1.00 33.34 C ATOM 377 ND1 HIS A 42 14.932 7.477 -9.727 1.00 53.33 N ATOM 378 CD2 HIS A 42 16.918 6.956 -10.454 1.00 42.32 C ATOM 379 CE1 HIS A 42 15.350 8.477 -10.481 1.00 11.31 C ATOM 380 NE2 HIS A 42 16.553 8.189 -10.933 1.00 41.32 N ATOM 0 H HIS A 42 15.301 3.580 -10.899 1.00 34.11 H new ATOM 0 HA HIS A 42 17.690 4.512 -9.455 1.00 3.54 H new ATOM 0 HB2 HIS A 42 14.716 4.877 -9.000 1.00 1.02 H new ATOM 0 HB3 HIS A 42 15.942 5.409 -7.868 1.00 1.02 H new ATOM 0 HD1 HIS A 42 14.033 7.436 -9.248 1.00 53.33 H new ATOM 0 HD2 HIS A 42 17.848 6.444 -10.652 1.00 42.32 H new ATOM 0 HE1 HIS A 42 14.797 9.381 -10.692 1.00 11.31 H new ATOM 389 N ASN A 43 16.357 1.747 -8.964 1.00 32.52 N ATOM 390 CA ASN A 43 16.443 0.496 -8.209 1.00 42.45 C ATOM 391 C ASN A 43 15.519 0.498 -6.995 1.00 53.53 C ATOM 392 O ASN A 43 15.778 -0.185 -6.003 1.00 55.13 O ATOM 393 CB ASN A 43 17.890 0.230 -7.772 1.00 73.21 C ATOM 394 CG ASN A 43 18.826 0.047 -8.952 1.00 73.12 C ATOM 395 OD1 ASN A 43 18.991 -1.062 -9.462 1.00 14.51 O ATOM 396 ND2 ASN A 43 19.453 1.131 -9.388 1.00 64.52 N ATOM 0 H ASN A 43 16.038 1.627 -9.925 1.00 32.52 H new ATOM 0 HA ASN A 43 16.116 -0.305 -8.872 1.00 42.45 H new ATOM 0 HB2 ASN A 43 18.240 1.061 -7.159 1.00 73.21 H new ATOM 0 HB3 ASN A 43 17.920 -0.662 -7.146 1.00 73.21 H new ATOM 0 HD21 ASN A 43 20.100 1.065 -10.174 1.00 64.52 H new ATOM 0 HD22 ASN A 43 19.288 2.031 -8.938 1.00 64.52 H new ATOM 403 N ILE A 44 14.430 1.246 -7.086 1.00 35.43 N ATOM 404 CA ILE A 44 13.462 1.324 -6.000 1.00 15.21 C ATOM 405 C ILE A 44 12.302 0.365 -6.257 1.00 51.52 C ATOM 406 O ILE A 44 11.977 0.072 -7.409 1.00 74.04 O ATOM 407 CB ILE A 44 12.928 2.766 -5.821 1.00 23.35 C ATOM 408 CG1 ILE A 44 11.950 2.845 -4.642 1.00 71.34 C ATOM 409 CG2 ILE A 44 12.264 3.250 -7.100 1.00 33.15 C ATOM 410 CD1 ILE A 44 11.362 4.222 -4.425 1.00 44.35 C ATOM 0 H ILE A 44 14.193 1.809 -7.903 1.00 35.43 H new ATOM 0 HA ILE A 44 13.970 1.036 -5.080 1.00 15.21 H new ATOM 0 HB ILE A 44 13.774 3.417 -5.603 1.00 23.35 H new ATOM 0 HG12 ILE A 44 11.139 2.136 -4.807 1.00 71.34 H new ATOM 0 HG13 ILE A 44 12.465 2.533 -3.734 1.00 71.34 H new ATOM 0 HG21 ILE A 44 11.894 4.265 -6.956 1.00 33.15 H new ATOM 0 HG22 ILE A 44 12.990 3.240 -7.913 1.00 33.15 H new ATOM 0 HG23 ILE A 44 11.431 2.592 -7.349 1.00 33.15 H new ATOM 0 HD11 ILE A 44 10.681 4.197 -3.574 1.00 44.35 H new ATOM 0 HD12 ILE A 44 12.164 4.933 -4.227 1.00 44.35 H new ATOM 0 HD13 ILE A 44 10.817 4.530 -5.317 1.00 44.35 H new ATOM 422 N GLU A 45 11.712 -0.147 -5.182 1.00 71.13 N ATOM 423 CA GLU A 45 10.571 -1.048 -5.279 1.00 43.02 C ATOM 424 C GLU A 45 9.401 -0.356 -5.981 1.00 64.13 C ATOM 425 O GLU A 45 8.723 0.492 -5.396 1.00 52.21 O ATOM 426 CB GLU A 45 10.144 -1.507 -3.881 1.00 42.21 C ATOM 427 CG GLU A 45 9.089 -2.600 -3.892 1.00 21.34 C ATOM 428 CD GLU A 45 9.608 -3.904 -4.461 1.00 60.15 C ATOM 429 OE1 GLU A 45 9.534 -4.098 -5.693 1.00 33.15 O ATOM 430 OE2 GLU A 45 10.086 -4.750 -3.675 1.00 10.30 O ATOM 0 H GLU A 45 12.009 0.049 -4.226 1.00 71.13 H new ATOM 0 HA GLU A 45 10.865 -1.918 -5.866 1.00 43.02 H new ATOM 0 HB2 GLU A 45 11.021 -1.866 -3.343 1.00 42.21 H new ATOM 0 HB3 GLU A 45 9.760 -0.650 -3.328 1.00 42.21 H new ATOM 0 HG2 GLU A 45 8.734 -2.767 -2.875 1.00 21.34 H new ATOM 0 HG3 GLU A 45 8.232 -2.267 -4.478 1.00 21.34 H new ATOM 437 N ALA A 46 9.183 -0.711 -7.236 1.00 31.35 N ATOM 438 CA ALA A 46 8.133 -0.098 -8.028 1.00 0.41 C ATOM 439 C ALA A 46 7.034 -1.100 -8.341 1.00 30.20 C ATOM 440 O ALA A 46 7.302 -2.207 -8.815 1.00 33.24 O ATOM 441 CB ALA A 46 8.707 0.479 -9.313 1.00 51.21 C ATOM 0 H ALA A 46 9.722 -1.423 -7.729 1.00 31.35 H new ATOM 0 HA ALA A 46 7.697 0.713 -7.445 1.00 0.41 H new ATOM 0 HB1 ALA A 46 7.907 0.935 -9.896 1.00 51.21 H new ATOM 0 HB2 ALA A 46 9.455 1.234 -9.071 1.00 51.21 H new ATOM 0 HB3 ALA A 46 9.171 -0.318 -9.894 1.00 51.21 H new ATOM 447 N ASN A 47 5.801 -0.710 -8.064 1.00 11.54 N ATOM 448 CA ASN A 47 4.644 -1.538 -8.363 1.00 4.22 C ATOM 449 C ASN A 47 3.757 -0.834 -9.378 1.00 31.14 C ATOM 450 O ASN A 47 3.729 0.397 -9.441 1.00 53.21 O ATOM 451 CB ASN A 47 3.835 -1.840 -7.095 1.00 44.43 C ATOM 452 CG ASN A 47 4.573 -2.717 -6.101 1.00 14.11 C ATOM 453 OD1 ASN A 47 4.505 -3.944 -6.166 1.00 64.42 O ATOM 454 ND2 ASN A 47 5.267 -2.094 -5.161 1.00 52.12 N ATOM 0 H ASN A 47 5.574 0.184 -7.628 1.00 11.54 H new ATOM 0 HA ASN A 47 5.000 -2.482 -8.775 1.00 4.22 H new ATOM 0 HB2 ASN A 47 3.569 -0.900 -6.611 1.00 44.43 H new ATOM 0 HB3 ASN A 47 2.902 -2.329 -7.376 1.00 44.43 H new ATOM 0 HD21 ASN A 47 5.770 -2.633 -4.457 1.00 52.12 H new ATOM 0 HD22 ASN A 47 5.298 -1.075 -5.141 1.00 52.12 H new ATOM 461 N LYS A 48 3.044 -1.610 -10.172 1.00 1.55 N ATOM 462 CA LYS A 48 2.144 -1.058 -11.171 1.00 42.21 C ATOM 463 C LYS A 48 0.698 -1.209 -10.717 1.00 73.05 C ATOM 464 O LYS A 48 0.210 -2.325 -10.541 1.00 70.11 O ATOM 465 CB LYS A 48 2.353 -1.760 -12.516 1.00 72.34 C ATOM 466 CG LYS A 48 1.402 -1.294 -13.606 1.00 72.54 C ATOM 467 CD LYS A 48 1.676 -2.005 -14.919 1.00 32.20 C ATOM 468 CE LYS A 48 0.666 -1.616 -15.984 1.00 15.43 C ATOM 469 NZ LYS A 48 0.968 -2.254 -17.290 1.00 12.11 N ATOM 0 H LYS A 48 3.070 -2.629 -10.145 1.00 1.55 H new ATOM 0 HA LYS A 48 2.363 0.003 -11.292 1.00 42.21 H new ATOM 0 HB2 LYS A 48 3.378 -1.594 -12.846 1.00 72.34 H new ATOM 0 HB3 LYS A 48 2.233 -2.834 -12.377 1.00 72.34 H new ATOM 0 HG2 LYS A 48 0.373 -1.480 -13.297 1.00 72.54 H new ATOM 0 HG3 LYS A 48 1.504 -0.218 -13.745 1.00 72.54 H new ATOM 0 HD2 LYS A 48 2.681 -1.761 -15.263 1.00 32.20 H new ATOM 0 HD3 LYS A 48 1.645 -3.083 -14.763 1.00 32.20 H new ATOM 0 HE2 LYS A 48 -0.334 -1.906 -15.660 1.00 15.43 H new ATOM 0 HE3 LYS A 48 0.661 -0.532 -16.101 1.00 15.43 H new ATOM 0 HZ1 LYS A 48 0.256 -1.964 -17.991 1.00 12.11 H new ATOM 0 HZ2 LYS A 48 1.912 -1.957 -17.611 1.00 12.11 H new ATOM 0 HZ3 LYS A 48 0.948 -3.288 -17.184 1.00 12.11 H new ATOM 483 N ILE A 49 0.020 -0.086 -10.519 1.00 41.24 N ATOM 484 CA ILE A 49 -1.367 -0.113 -10.083 1.00 11.32 C ATOM 485 C ILE A 49 -2.315 0.029 -11.267 1.00 4.24 C ATOM 486 O ILE A 49 -2.308 1.037 -11.977 1.00 13.05 O ATOM 487 CB ILE A 49 -1.677 0.973 -9.024 1.00 5.02 C ATOM 488 CG1 ILE A 49 -1.098 2.333 -9.435 1.00 32.12 C ATOM 489 CG2 ILE A 49 -1.143 0.546 -7.665 1.00 64.13 C ATOM 490 CD1 ILE A 49 -1.400 3.445 -8.455 1.00 53.32 C ATOM 0 H ILE A 49 0.406 0.849 -10.653 1.00 41.24 H new ATOM 0 HA ILE A 49 -1.524 -1.084 -9.614 1.00 11.32 H new ATOM 0 HB ILE A 49 -2.759 1.084 -8.956 1.00 5.02 H new ATOM 0 HG12 ILE A 49 -0.017 2.240 -9.543 1.00 32.12 H new ATOM 0 HG13 ILE A 49 -1.494 2.606 -10.413 1.00 32.12 H new ATOM 0 HG21 ILE A 49 -1.366 1.317 -6.928 1.00 64.13 H new ATOM 0 HG22 ILE A 49 -1.615 -0.390 -7.366 1.00 64.13 H new ATOM 0 HG23 ILE A 49 -0.064 0.404 -7.726 1.00 64.13 H new ATOM 0 HD11 ILE A 49 -0.959 4.375 -8.813 1.00 53.32 H new ATOM 0 HD12 ILE A 49 -2.479 3.567 -8.364 1.00 53.32 H new ATOM 0 HD13 ILE A 49 -0.980 3.195 -7.481 1.00 53.32 H new ATOM 502 N ASP A 50 -3.105 -1.010 -11.485 1.00 25.13 N ATOM 503 CA ASP A 50 -4.094 -1.022 -12.554 1.00 24.41 C ATOM 504 C ASP A 50 -5.493 -0.909 -11.962 1.00 53.22 C ATOM 505 O ASP A 50 -6.013 -1.866 -11.383 1.00 71.12 O ATOM 506 CB ASP A 50 -3.961 -2.305 -13.389 1.00 34.30 C ATOM 507 CG ASP A 50 -4.981 -2.403 -14.511 1.00 51.23 C ATOM 508 OD1 ASP A 50 -5.514 -1.365 -14.943 1.00 30.41 O ATOM 509 OD2 ASP A 50 -5.252 -3.530 -14.974 1.00 64.15 O ATOM 0 H ASP A 50 -3.080 -1.865 -10.930 1.00 25.13 H new ATOM 0 HA ASP A 50 -3.921 -0.169 -13.210 1.00 24.41 H new ATOM 0 HB2 ASP A 50 -2.958 -2.351 -13.814 1.00 34.30 H new ATOM 0 HB3 ASP A 50 -4.069 -3.169 -12.733 1.00 34.30 H new ATOM 514 N SER A 51 -6.080 0.273 -12.082 1.00 33.14 N ATOM 515 CA SER A 51 -7.391 0.545 -11.511 1.00 4.34 C ATOM 516 C SER A 51 -8.196 1.449 -12.437 1.00 21.21 C ATOM 517 O SER A 51 -7.645 2.362 -13.055 1.00 73.23 O ATOM 518 CB SER A 51 -7.242 1.200 -10.136 1.00 24.01 C ATOM 519 OG SER A 51 -6.518 0.364 -9.249 1.00 23.30 O ATOM 0 H SER A 51 -5.665 1.065 -12.574 1.00 33.14 H new ATOM 0 HA SER A 51 -7.923 -0.399 -11.396 1.00 4.34 H new ATOM 0 HB2 SER A 51 -6.730 2.157 -10.239 1.00 24.01 H new ATOM 0 HB3 SER A 51 -8.228 1.409 -9.721 1.00 24.01 H new ATOM 0 HG SER A 51 -6.435 0.805 -8.378 1.00 23.30 H new ATOM 525 N GLY A 52 -9.498 1.199 -12.513 1.00 35.11 N ATOM 526 CA GLY A 52 -10.359 1.946 -13.415 1.00 31.43 C ATOM 527 C GLY A 52 -10.427 3.426 -13.086 1.00 4.32 C ATOM 528 O GLY A 52 -10.621 4.255 -13.975 1.00 44.43 O ATOM 0 H GLY A 52 -9.977 0.487 -11.962 1.00 35.11 H new ATOM 0 HA2 GLY A 52 -9.998 1.823 -14.436 1.00 31.43 H new ATOM 0 HA3 GLY A 52 -11.364 1.526 -13.379 1.00 31.43 H new ATOM 532 N LYS A 53 -10.268 3.761 -11.811 1.00 60.31 N ATOM 533 CA LYS A 53 -10.319 5.154 -11.373 1.00 51.31 C ATOM 534 C LYS A 53 -9.135 5.955 -11.914 1.00 34.23 C ATOM 535 O LYS A 53 -9.260 7.143 -12.218 1.00 74.41 O ATOM 536 CB LYS A 53 -10.316 5.245 -9.840 1.00 34.34 C ATOM 537 CG LYS A 53 -9.005 4.794 -9.208 1.00 40.21 C ATOM 538 CD LYS A 53 -8.862 5.285 -7.778 1.00 51.14 C ATOM 539 CE LYS A 53 -7.431 5.123 -7.285 1.00 1.52 C ATOM 540 NZ LYS A 53 -7.222 5.737 -5.946 1.00 3.14 N ATOM 0 H LYS A 53 -10.103 3.089 -11.062 1.00 60.31 H new ATOM 0 HA LYS A 53 -11.244 5.576 -11.766 1.00 51.31 H new ATOM 0 HB2 LYS A 53 -10.518 6.275 -9.544 1.00 34.34 H new ATOM 0 HB3 LYS A 53 -11.129 4.635 -9.446 1.00 34.34 H new ATOM 0 HG2 LYS A 53 -8.951 3.705 -9.224 1.00 40.21 H new ATOM 0 HG3 LYS A 53 -8.170 5.164 -9.803 1.00 40.21 H new ATOM 0 HD2 LYS A 53 -9.154 6.334 -7.719 1.00 51.14 H new ATOM 0 HD3 LYS A 53 -9.539 4.729 -7.130 1.00 51.14 H new ATOM 0 HE2 LYS A 53 -7.183 4.063 -7.239 1.00 1.52 H new ATOM 0 HE3 LYS A 53 -6.748 5.579 -8.002 1.00 1.52 H new ATOM 0 HZ1 LYS A 53 -6.204 5.877 -5.783 1.00 3.14 H new ATOM 0 HZ2 LYS A 53 -7.709 6.655 -5.905 1.00 3.14 H new ATOM 0 HZ3 LYS A 53 -7.606 5.108 -5.212 1.00 3.14 H new ATOM 554 N LEU A 54 -7.997 5.295 -12.050 1.00 35.24 N ATOM 555 CA LEU A 54 -6.739 5.995 -12.246 1.00 23.31 C ATOM 556 C LEU A 54 -6.147 5.735 -13.625 1.00 21.11 C ATOM 557 O LEU A 54 -5.471 6.595 -14.189 1.00 32.41 O ATOM 558 CB LEU A 54 -5.754 5.558 -11.160 1.00 53.01 C ATOM 559 CG LEU A 54 -4.554 6.478 -10.954 1.00 50.34 C ATOM 560 CD1 LEU A 54 -5.018 7.863 -10.537 1.00 41.42 C ATOM 561 CD2 LEU A 54 -3.617 5.895 -9.910 1.00 12.12 C ATOM 0 H LEU A 54 -7.918 4.278 -12.028 1.00 35.24 H new ATOM 0 HA LEU A 54 -6.929 7.066 -12.177 1.00 23.31 H new ATOM 0 HB2 LEU A 54 -6.293 5.476 -10.216 1.00 53.01 H new ATOM 0 HB3 LEU A 54 -5.388 4.561 -11.406 1.00 53.01 H new ATOM 0 HG LEU A 54 -4.013 6.563 -11.896 1.00 50.34 H new ATOM 0 HD11 LEU A 54 -4.152 8.509 -10.393 1.00 41.42 H new ATOM 0 HD12 LEU A 54 -5.658 8.281 -11.314 1.00 41.42 H new ATOM 0 HD13 LEU A 54 -5.578 7.794 -9.604 1.00 41.42 H new ATOM 0 HD21 LEU A 54 -2.765 6.561 -9.773 1.00 12.12 H new ATOM 0 HD22 LEU A 54 -4.148 5.786 -8.965 1.00 12.12 H new ATOM 0 HD23 LEU A 54 -3.264 4.919 -10.242 1.00 12.12 H new ATOM 573 N GLY A 55 -6.403 4.557 -14.167 1.00 74.03 N ATOM 574 CA GLY A 55 -5.802 4.182 -15.426 1.00 2.10 C ATOM 575 C GLY A 55 -4.539 3.380 -15.208 1.00 32.45 C ATOM 576 O GLY A 55 -4.585 2.295 -14.626 1.00 15.05 O ATOM 0 H GLY A 55 -7.017 3.853 -13.757 1.00 74.03 H new ATOM 0 HA2 GLY A 55 -6.511 3.597 -16.011 1.00 2.10 H new ATOM 0 HA3 GLY A 55 -5.573 5.077 -16.004 1.00 2.10 H new ATOM 580 N TYR A 56 -3.413 3.913 -15.660 1.00 40.14 N ATOM 581 CA TYR A 56 -2.125 3.269 -15.449 1.00 53.24 C ATOM 582 C TYR A 56 -1.183 4.214 -14.723 1.00 44.33 C ATOM 583 O TYR A 56 -0.916 5.323 -15.188 1.00 3.24 O ATOM 584 CB TYR A 56 -1.510 2.827 -16.777 1.00 43.41 C ATOM 585 CG TYR A 56 -2.331 1.790 -17.507 1.00 72.44 C ATOM 586 CD1 TYR A 56 -2.573 0.545 -16.942 1.00 64.23 C ATOM 587 CD2 TYR A 56 -2.868 2.060 -18.758 1.00 23.23 C ATOM 588 CE1 TYR A 56 -3.324 -0.403 -17.606 1.00 40.14 C ATOM 589 CE2 TYR A 56 -3.619 1.117 -19.427 1.00 21.13 C ATOM 590 CZ TYR A 56 -3.844 -0.111 -18.847 1.00 12.21 C ATOM 591 OH TYR A 56 -4.594 -1.052 -19.512 1.00 23.41 O ATOM 0 H TYR A 56 -3.366 4.791 -16.176 1.00 40.14 H new ATOM 0 HA TYR A 56 -2.282 2.382 -14.836 1.00 53.24 H new ATOM 0 HB2 TYR A 56 -1.387 3.699 -17.419 1.00 43.41 H new ATOM 0 HB3 TYR A 56 -0.514 2.425 -16.591 1.00 43.41 H new ATOM 0 HD1 TYR A 56 -2.167 0.315 -15.968 1.00 64.23 H new ATOM 0 HD2 TYR A 56 -2.695 3.023 -19.214 1.00 23.23 H new ATOM 0 HE1 TYR A 56 -3.503 -1.368 -17.155 1.00 40.14 H new ATOM 0 HE2 TYR A 56 -4.029 1.341 -20.401 1.00 21.13 H new ATOM 0 HH TYR A 56 -4.887 -0.688 -20.373 1.00 23.41 H new ATOM 601 N SER A 57 -0.700 3.786 -13.569 1.00 73.25 N ATOM 602 CA SER A 57 0.188 4.607 -12.768 1.00 63.51 C ATOM 603 C SER A 57 1.159 3.745 -11.969 1.00 14.22 C ATOM 604 O SER A 57 0.985 2.528 -11.857 1.00 61.32 O ATOM 605 CB SER A 57 -0.632 5.493 -11.832 1.00 13.32 C ATOM 606 OG SER A 57 -1.517 6.318 -12.570 1.00 15.30 O ATOM 0 H SER A 57 -0.909 2.873 -13.166 1.00 73.25 H new ATOM 0 HA SER A 57 0.774 5.238 -13.437 1.00 63.51 H new ATOM 0 HB2 SER A 57 -1.199 4.871 -11.139 1.00 13.32 H new ATOM 0 HB3 SER A 57 0.035 6.112 -11.232 1.00 13.32 H new ATOM 0 HG SER A 57 -2.284 5.788 -12.871 1.00 15.30 H new ATOM 612 N ILE A 58 2.180 4.385 -11.424 1.00 11.41 N ATOM 613 CA ILE A 58 3.187 3.696 -10.635 1.00 72.21 C ATOM 614 C ILE A 58 2.887 3.881 -9.157 1.00 0.21 C ATOM 615 O ILE A 58 2.254 4.863 -8.770 1.00 71.42 O ATOM 616 CB ILE A 58 4.605 4.246 -10.930 1.00 21.11 C ATOM 617 CG1 ILE A 58 4.795 4.447 -12.436 1.00 51.24 C ATOM 618 CG2 ILE A 58 5.675 3.309 -10.379 1.00 62.51 C ATOM 619 CD1 ILE A 58 4.695 3.172 -13.248 1.00 71.34 C ATOM 0 H ILE A 58 2.334 5.389 -11.515 1.00 11.41 H new ATOM 0 HA ILE A 58 3.159 2.639 -10.901 1.00 72.21 H new ATOM 0 HB ILE A 58 4.708 5.211 -10.433 1.00 21.11 H new ATOM 0 HG12 ILE A 58 4.046 5.153 -12.795 1.00 51.24 H new ATOM 0 HG13 ILE A 58 5.771 4.901 -12.611 1.00 51.24 H new ATOM 0 HG21 ILE A 58 6.662 3.716 -10.598 1.00 62.51 H new ATOM 0 HG22 ILE A 58 5.553 3.212 -9.300 1.00 62.51 H new ATOM 0 HG23 ILE A 58 5.575 2.329 -10.845 1.00 62.51 H new ATOM 0 HD11 ILE A 58 4.841 3.401 -14.304 1.00 71.34 H new ATOM 0 HD12 ILE A 58 5.462 2.470 -12.919 1.00 71.34 H new ATOM 0 HD13 ILE A 58 3.710 2.727 -13.106 1.00 71.34 H new ATOM 631 N THR A 59 3.313 2.940 -8.341 1.00 44.13 N ATOM 632 CA THR A 59 3.216 3.091 -6.908 1.00 10.42 C ATOM 633 C THR A 59 4.426 2.427 -6.255 1.00 60.20 C ATOM 634 O THR A 59 5.118 1.626 -6.888 1.00 22.14 O ATOM 635 CB THR A 59 1.895 2.503 -6.357 1.00 31.21 C ATOM 636 OG1 THR A 59 1.516 3.191 -5.157 1.00 11.00 O ATOM 637 CG2 THR A 59 2.022 1.014 -6.071 1.00 34.30 C ATOM 0 H THR A 59 3.730 2.061 -8.648 1.00 44.13 H new ATOM 0 HA THR A 59 3.209 4.154 -6.667 1.00 10.42 H new ATOM 0 HB THR A 59 1.128 2.639 -7.119 1.00 31.21 H new ATOM 0 HG1 THR A 59 1.005 3.994 -5.388 1.00 11.00 H new ATOM 0 HG21 THR A 59 1.075 0.636 -5.686 1.00 34.30 H new ATOM 0 HG22 THR A 59 2.276 0.487 -6.991 1.00 34.30 H new ATOM 0 HG23 THR A 59 2.806 0.851 -5.331 1.00 34.30 H new ATOM 645 N VAL A 60 4.688 2.764 -5.007 1.00 3.33 N ATOM 646 CA VAL A 60 5.857 2.254 -4.308 1.00 32.23 C ATOM 647 C VAL A 60 5.452 1.600 -3.000 1.00 42.34 C ATOM 648 O VAL A 60 4.282 1.642 -2.613 1.00 0.34 O ATOM 649 CB VAL A 60 6.887 3.372 -4.028 1.00 51.24 C ATOM 650 CG1 VAL A 60 7.513 3.858 -5.327 1.00 41.42 C ATOM 651 CG2 VAL A 60 6.231 4.527 -3.281 1.00 21.32 C ATOM 0 H VAL A 60 4.106 3.391 -4.452 1.00 3.33 H new ATOM 0 HA VAL A 60 6.323 1.512 -4.957 1.00 32.23 H new ATOM 0 HB VAL A 60 7.678 2.963 -3.399 1.00 51.24 H new ATOM 0 HG11 VAL A 60 8.236 4.645 -5.111 1.00 41.42 H new ATOM 0 HG12 VAL A 60 8.018 3.028 -5.821 1.00 41.42 H new ATOM 0 HG13 VAL A 60 6.735 4.250 -5.982 1.00 41.42 H new ATOM 0 HG21 VAL A 60 6.971 5.305 -3.092 1.00 21.32 H new ATOM 0 HG22 VAL A 60 5.420 4.936 -3.883 1.00 21.32 H new ATOM 0 HG23 VAL A 60 5.833 4.167 -2.332 1.00 21.32 H new ATOM 661 N ALA A 61 6.413 0.975 -2.342 1.00 31.20 N ATOM 662 CA ALA A 61 6.182 0.364 -1.044 1.00 22.54 C ATOM 663 C ALA A 61 5.865 1.431 0.003 1.00 22.43 C ATOM 664 O ALA A 61 6.029 2.628 -0.249 1.00 62.42 O ATOM 665 CB ALA A 61 7.399 -0.448 -0.633 1.00 15.24 C ATOM 0 H ALA A 61 7.367 0.877 -2.688 1.00 31.20 H new ATOM 0 HA ALA A 61 5.323 -0.303 -1.115 1.00 22.54 H new ATOM 0 HB1 ALA A 61 7.220 -0.904 0.341 1.00 15.24 H new ATOM 0 HB2 ALA A 61 7.582 -1.229 -1.371 1.00 15.24 H new ATOM 0 HB3 ALA A 61 8.269 0.206 -0.573 1.00 15.24 H new ATOM 671 N GLU A 62 5.418 0.992 1.174 1.00 54.12 N ATOM 672 CA GLU A 62 5.033 1.906 2.248 1.00 40.34 C ATOM 673 C GLU A 62 6.177 2.858 2.649 1.00 0.30 C ATOM 674 O GLU A 62 5.989 4.077 2.639 1.00 51.32 O ATOM 675 CB GLU A 62 4.533 1.126 3.472 1.00 34.32 C ATOM 676 CG GLU A 62 3.045 0.786 3.439 1.00 74.32 C ATOM 677 CD GLU A 62 2.628 -0.018 2.221 1.00 14.24 C ATOM 678 OE1 GLU A 62 2.848 -1.248 2.205 1.00 4.11 O ATOM 679 OE2 GLU A 62 2.057 0.576 1.281 1.00 4.21 O ATOM 0 H GLU A 62 5.312 0.004 1.406 1.00 54.12 H new ATOM 0 HA GLU A 62 4.221 2.522 1.862 1.00 40.34 H new ATOM 0 HB2 GLU A 62 5.103 0.201 3.555 1.00 34.32 H new ATOM 0 HB3 GLU A 62 4.740 1.710 4.369 1.00 34.32 H new ATOM 0 HG2 GLU A 62 2.790 0.225 4.338 1.00 74.32 H new ATOM 0 HG3 GLU A 62 2.470 1.711 3.467 1.00 74.32 H new ATOM 686 N PRO A 63 7.379 2.338 2.993 1.00 65.42 N ATOM 687 CA PRO A 63 8.496 3.176 3.445 1.00 64.23 C ATOM 688 C PRO A 63 9.133 3.977 2.309 1.00 30.21 C ATOM 689 O PRO A 63 9.772 5.006 2.539 1.00 10.12 O ATOM 690 CB PRO A 63 9.512 2.170 4.012 1.00 44.35 C ATOM 691 CG PRO A 63 8.809 0.854 4.049 1.00 23.41 C ATOM 692 CD PRO A 63 7.754 0.916 2.989 1.00 70.44 C ATOM 0 HA PRO A 63 8.161 3.919 4.168 1.00 64.23 H new ATOM 0 HB2 PRO A 63 10.403 2.119 3.386 1.00 44.35 H new ATOM 0 HB3 PRO A 63 9.840 2.466 5.009 1.00 44.35 H new ATOM 0 HG2 PRO A 63 9.504 0.036 3.860 1.00 23.41 H new ATOM 0 HG3 PRO A 63 8.366 0.676 5.029 1.00 23.41 H new ATOM 0 HD2 PRO A 63 8.136 0.600 2.018 1.00 70.44 H new ATOM 0 HD3 PRO A 63 6.906 0.272 3.223 1.00 70.44 H new ATOM 700 N ASP A 64 8.932 3.514 1.086 1.00 22.54 N ATOM 701 CA ASP A 64 9.576 4.110 -0.080 1.00 44.42 C ATOM 702 C ASP A 64 8.720 5.221 -0.684 1.00 70.20 C ATOM 703 O ASP A 64 9.047 5.765 -1.742 1.00 54.34 O ATOM 704 CB ASP A 64 9.858 3.033 -1.132 1.00 50.54 C ATOM 705 CG ASP A 64 10.926 2.051 -0.689 1.00 71.50 C ATOM 706 OD1 ASP A 64 10.624 1.165 0.140 1.00 34.22 O ATOM 707 OD2 ASP A 64 12.076 2.169 -1.160 1.00 33.11 O ATOM 0 H ASP A 64 8.325 2.723 0.871 1.00 22.54 H new ATOM 0 HA ASP A 64 10.517 4.552 0.246 1.00 44.42 H new ATOM 0 HB2 ASP A 64 8.937 2.490 -1.347 1.00 50.54 H new ATOM 0 HB3 ASP A 64 10.171 3.510 -2.061 1.00 50.54 H new ATOM 712 N PHE A 65 7.637 5.562 0.005 1.00 31.04 N ATOM 713 CA PHE A 65 6.709 6.596 -0.454 1.00 53.21 C ATOM 714 C PHE A 65 7.416 7.930 -0.701 1.00 34.33 C ATOM 715 O PHE A 65 7.131 8.621 -1.679 1.00 3.40 O ATOM 716 CB PHE A 65 5.586 6.776 0.574 1.00 10.13 C ATOM 717 CG PHE A 65 4.627 7.888 0.247 1.00 43.43 C ATOM 718 CD1 PHE A 65 3.668 7.728 -0.741 1.00 42.32 C ATOM 719 CD2 PHE A 65 4.683 9.091 0.933 1.00 11.11 C ATOM 720 CE1 PHE A 65 2.784 8.747 -1.039 1.00 73.01 C ATOM 721 CE2 PHE A 65 3.801 10.114 0.640 1.00 32.43 C ATOM 722 CZ PHE A 65 2.850 9.941 -0.348 1.00 73.15 C ATOM 0 H PHE A 65 7.376 5.134 0.893 1.00 31.04 H new ATOM 0 HA PHE A 65 6.288 6.269 -1.405 1.00 53.21 H new ATOM 0 HB2 PHE A 65 5.029 5.842 0.655 1.00 10.13 H new ATOM 0 HB3 PHE A 65 6.030 6.969 1.551 1.00 10.13 H new ATOM 0 HD1 PHE A 65 3.611 6.796 -1.284 1.00 42.32 H new ATOM 0 HD2 PHE A 65 5.425 9.231 1.706 1.00 11.11 H new ATOM 0 HE1 PHE A 65 2.042 8.610 -1.812 1.00 73.01 H new ATOM 0 HE2 PHE A 65 3.855 11.047 1.182 1.00 32.43 H new ATOM 0 HZ PHE A 65 2.159 10.738 -0.579 1.00 73.15 H new ATOM 732 N THR A 66 8.354 8.270 0.172 1.00 43.24 N ATOM 733 CA THR A 66 9.017 9.567 0.117 1.00 2.42 C ATOM 734 C THR A 66 9.914 9.695 -1.121 1.00 21.10 C ATOM 735 O THR A 66 10.164 10.800 -1.606 1.00 54.44 O ATOM 736 CB THR A 66 9.846 9.827 1.399 1.00 0.41 C ATOM 737 OG1 THR A 66 10.420 11.140 1.362 1.00 13.34 O ATOM 738 CG2 THR A 66 10.952 8.791 1.570 1.00 0.31 C ATOM 0 H THR A 66 8.674 7.665 0.928 1.00 43.24 H new ATOM 0 HA THR A 66 8.232 10.320 0.048 1.00 2.42 H new ATOM 0 HB THR A 66 9.169 9.748 2.250 1.00 0.41 H new ATOM 0 HG1 THR A 66 10.940 11.293 2.178 1.00 13.34 H new ATOM 0 HG21 THR A 66 11.513 9.005 2.480 1.00 0.31 H new ATOM 0 HG22 THR A 66 10.511 7.797 1.641 1.00 0.31 H new ATOM 0 HG23 THR A 66 11.623 8.830 0.712 1.00 0.31 H new ATOM 746 N ALA A 67 10.375 8.567 -1.649 1.00 25.13 N ATOM 747 CA ALA A 67 11.279 8.581 -2.791 1.00 74.21 C ATOM 748 C ALA A 67 10.521 8.832 -4.088 1.00 62.24 C ATOM 749 O ALA A 67 10.995 9.562 -4.960 1.00 30.22 O ATOM 750 CB ALA A 67 12.046 7.272 -2.867 1.00 64.54 C ATOM 0 H ALA A 67 10.139 7.636 -1.306 1.00 25.13 H new ATOM 0 HA ALA A 67 11.988 9.398 -2.655 1.00 74.21 H new ATOM 0 HB1 ALA A 67 12.719 7.294 -3.724 1.00 64.54 H new ATOM 0 HB2 ALA A 67 12.626 7.137 -1.954 1.00 64.54 H new ATOM 0 HB3 ALA A 67 11.344 6.445 -2.977 1.00 64.54 H new ATOM 756 N ALA A 68 9.331 8.245 -4.190 1.00 42.13 N ATOM 757 CA ALA A 68 8.501 8.355 -5.389 1.00 70.32 C ATOM 758 C ALA A 68 8.261 9.812 -5.782 1.00 21.24 C ATOM 759 O ALA A 68 8.304 10.160 -6.962 1.00 11.31 O ATOM 760 CB ALA A 68 7.172 7.654 -5.163 1.00 4.24 C ATOM 0 H ALA A 68 8.915 7.682 -3.448 1.00 42.13 H new ATOM 0 HA ALA A 68 9.036 7.875 -6.208 1.00 70.32 H new ATOM 0 HB1 ALA A 68 6.558 7.740 -6.060 1.00 4.24 H new ATOM 0 HB2 ALA A 68 7.349 6.601 -4.943 1.00 4.24 H new ATOM 0 HB3 ALA A 68 6.654 8.118 -4.323 1.00 4.24 H new ATOM 766 N VAL A 69 8.029 10.655 -4.781 1.00 34.32 N ATOM 767 CA VAL A 69 7.736 12.069 -5.002 1.00 22.33 C ATOM 768 C VAL A 69 8.852 12.755 -5.793 1.00 50.10 C ATOM 769 O VAL A 69 8.597 13.428 -6.794 1.00 32.30 O ATOM 770 CB VAL A 69 7.537 12.805 -3.659 1.00 23.22 C ATOM 771 CG1 VAL A 69 7.158 14.263 -3.882 1.00 31.13 C ATOM 772 CG2 VAL A 69 6.487 12.096 -2.811 1.00 30.20 C ATOM 0 H VAL A 69 8.038 10.381 -3.799 1.00 34.32 H new ATOM 0 HA VAL A 69 6.814 12.119 -5.582 1.00 22.33 H new ATOM 0 HB VAL A 69 8.484 12.787 -3.120 1.00 23.22 H new ATOM 0 HG11 VAL A 69 7.024 14.756 -2.919 1.00 31.13 H new ATOM 0 HG12 VAL A 69 7.950 14.764 -4.439 1.00 31.13 H new ATOM 0 HG13 VAL A 69 6.228 14.315 -4.448 1.00 31.13 H new ATOM 0 HG21 VAL A 69 6.360 12.629 -1.869 1.00 30.20 H new ATOM 0 HG22 VAL A 69 5.538 12.077 -3.348 1.00 30.20 H new ATOM 0 HG23 VAL A 69 6.811 11.075 -2.610 1.00 30.20 H new ATOM 782 N TYR A 70 10.088 12.554 -5.362 1.00 25.14 N ATOM 783 CA TYR A 70 11.228 13.210 -5.988 1.00 53.03 C ATOM 784 C TYR A 70 11.518 12.643 -7.371 1.00 35.31 C ATOM 785 O TYR A 70 12.038 13.343 -8.239 1.00 13.22 O ATOM 786 CB TYR A 70 12.466 13.091 -5.101 1.00 13.25 C ATOM 787 CG TYR A 70 12.675 14.285 -4.202 1.00 1.34 C ATOM 788 CD1 TYR A 70 11.806 14.561 -3.154 1.00 74.21 C ATOM 789 CD2 TYR A 70 13.742 15.144 -4.413 1.00 74.02 C ATOM 790 CE1 TYR A 70 11.999 15.660 -2.340 1.00 71.31 C ATOM 791 CE2 TYR A 70 13.941 16.244 -3.607 1.00 3.24 C ATOM 792 CZ TYR A 70 13.069 16.497 -2.572 1.00 22.42 C ATOM 793 OH TYR A 70 13.264 17.599 -1.774 1.00 74.13 O ATOM 0 H TYR A 70 10.328 11.942 -4.582 1.00 25.14 H new ATOM 0 HA TYR A 70 10.973 14.263 -6.107 1.00 53.03 H new ATOM 0 HB2 TYR A 70 12.380 12.194 -4.488 1.00 13.25 H new ATOM 0 HB3 TYR A 70 13.345 12.962 -5.732 1.00 13.25 H new ATOM 0 HD1 TYR A 70 10.967 13.906 -2.973 1.00 74.21 H new ATOM 0 HD2 TYR A 70 14.429 14.948 -5.223 1.00 74.02 H new ATOM 0 HE1 TYR A 70 11.316 15.862 -1.528 1.00 71.31 H new ATOM 0 HE2 TYR A 70 14.777 16.904 -3.786 1.00 3.24 H new ATOM 0 HH TYR A 70 14.063 18.081 -2.072 1.00 74.13 H new ATOM 803 N TRP A 71 11.172 11.386 -7.585 1.00 22.02 N ATOM 804 CA TRP A 71 11.416 10.761 -8.873 1.00 12.33 C ATOM 805 C TRP A 71 10.439 11.298 -9.914 1.00 63.02 C ATOM 806 O TRP A 71 10.800 11.491 -11.075 1.00 51.40 O ATOM 807 CB TRP A 71 11.328 9.238 -8.766 1.00 15.31 C ATOM 808 CG TRP A 71 12.278 8.639 -7.762 1.00 73.12 C ATOM 809 CD1 TRP A 71 12.085 7.484 -7.059 1.00 23.43 C ATOM 810 CD2 TRP A 71 13.554 9.156 -7.333 1.00 51.22 C ATOM 811 NE1 TRP A 71 13.156 7.243 -6.235 1.00 50.42 N ATOM 812 CE2 TRP A 71 14.067 8.254 -6.379 1.00 44.42 C ATOM 813 CE3 TRP A 71 14.316 10.286 -7.660 1.00 43.40 C ATOM 814 CZ2 TRP A 71 15.296 8.446 -5.757 1.00 12.02 C ATOM 815 CZ3 TRP A 71 15.534 10.475 -7.035 1.00 11.20 C ATOM 816 CH2 TRP A 71 16.013 9.559 -6.094 1.00 11.11 C ATOM 0 H TRP A 71 10.726 10.784 -6.893 1.00 22.02 H new ATOM 0 HA TRP A 71 12.428 11.010 -9.193 1.00 12.33 H new ATOM 0 HB2 TRP A 71 10.309 8.961 -8.497 1.00 15.31 H new ATOM 0 HB3 TRP A 71 11.528 8.803 -9.745 1.00 15.31 H new ATOM 0 HD1 TRP A 71 11.214 6.851 -7.140 1.00 23.43 H new ATOM 0 HE1 TRP A 71 13.257 6.439 -5.615 1.00 50.42 H new ATOM 0 HE3 TRP A 71 13.957 10.998 -8.389 1.00 43.40 H new ATOM 0 HZ2 TRP A 71 15.671 7.739 -5.032 1.00 12.02 H new ATOM 0 HZ3 TRP A 71 16.126 11.345 -7.278 1.00 11.20 H new ATOM 0 HH2 TRP A 71 16.969 9.735 -5.624 1.00 11.11 H new ATOM 827 N ILE A 72 9.211 11.568 -9.486 1.00 40.43 N ATOM 828 CA ILE A 72 8.217 12.182 -10.363 1.00 2.02 C ATOM 829 C ILE A 72 8.555 13.652 -10.586 1.00 12.54 C ATOM 830 O ILE A 72 8.338 14.197 -11.670 1.00 53.54 O ATOM 831 CB ILE A 72 6.789 12.054 -9.786 1.00 53.41 C ATOM 832 CG1 ILE A 72 6.443 10.580 -9.570 1.00 41.43 C ATOM 833 CG2 ILE A 72 5.769 12.709 -10.709 1.00 35.32 C ATOM 834 CD1 ILE A 72 6.530 9.742 -10.828 1.00 42.15 C ATOM 0 H ILE A 72 8.879 11.373 -8.541 1.00 40.43 H new ATOM 0 HA ILE A 72 8.242 11.652 -11.315 1.00 2.02 H new ATOM 0 HB ILE A 72 6.757 12.570 -8.827 1.00 53.41 H new ATOM 0 HG12 ILE A 72 7.116 10.164 -8.820 1.00 41.43 H new ATOM 0 HG13 ILE A 72 5.433 10.509 -9.166 1.00 41.43 H new ATOM 0 HG21 ILE A 72 4.772 12.606 -10.281 1.00 35.32 H new ATOM 0 HG22 ILE A 72 6.007 13.767 -10.822 1.00 35.32 H new ATOM 0 HG23 ILE A 72 5.797 12.224 -11.685 1.00 35.32 H new ATOM 0 HD11 ILE A 72 6.271 8.709 -10.596 1.00 42.15 H new ATOM 0 HD12 ILE A 72 5.836 10.131 -11.573 1.00 42.15 H new ATOM 0 HD13 ILE A 72 7.546 9.782 -11.222 1.00 42.15 H new ATOM 846 N LYS A 73 9.121 14.278 -9.558 1.00 24.40 N ATOM 847 CA LYS A 73 9.578 15.664 -9.644 1.00 62.12 C ATOM 848 C LYS A 73 10.639 15.810 -10.739 1.00 24.34 C ATOM 849 O LYS A 73 10.833 16.887 -11.298 1.00 54.31 O ATOM 850 CB LYS A 73 10.157 16.105 -8.295 1.00 62.41 C ATOM 851 CG LYS A 73 10.549 17.575 -8.231 1.00 14.45 C ATOM 852 CD LYS A 73 11.375 17.882 -6.987 1.00 52.12 C ATOM 853 CE LYS A 73 10.603 17.607 -5.702 1.00 70.33 C ATOM 854 NZ LYS A 73 9.533 18.611 -5.454 1.00 33.34 N ATOM 0 H LYS A 73 9.276 13.844 -8.648 1.00 24.40 H new ATOM 0 HA LYS A 73 8.728 16.298 -9.895 1.00 62.12 H new ATOM 0 HB2 LYS A 73 9.424 15.902 -7.515 1.00 62.41 H new ATOM 0 HB3 LYS A 73 11.034 15.497 -8.073 1.00 62.41 H new ATOM 0 HG2 LYS A 73 11.119 17.839 -9.121 1.00 14.45 H new ATOM 0 HG3 LYS A 73 9.651 18.192 -8.233 1.00 14.45 H new ATOM 0 HD2 LYS A 73 12.284 17.280 -6.999 1.00 52.12 H new ATOM 0 HD3 LYS A 73 11.684 18.927 -7.007 1.00 52.12 H new ATOM 0 HE2 LYS A 73 10.159 16.613 -5.754 1.00 70.33 H new ATOM 0 HE3 LYS A 73 11.295 17.603 -4.860 1.00 70.33 H new ATOM 0 HZ1 LYS A 73 9.038 18.379 -4.569 1.00 33.34 H new ATOM 0 HZ2 LYS A 73 9.956 19.558 -5.376 1.00 33.34 H new ATOM 0 HZ3 LYS A 73 8.856 18.598 -6.243 1.00 33.34 H new ATOM 868 N THR A 74 11.312 14.711 -11.045 1.00 14.14 N ATOM 869 CA THR A 74 12.372 14.712 -12.040 1.00 60.24 C ATOM 870 C THR A 74 11.829 14.324 -13.423 1.00 72.22 C ATOM 871 O THR A 74 12.519 14.451 -14.437 1.00 42.12 O ATOM 872 CB THR A 74 13.496 13.742 -11.616 1.00 33.44 C ATOM 873 OG1 THR A 74 13.838 13.979 -10.243 1.00 53.30 O ATOM 874 CG2 THR A 74 14.742 13.920 -12.472 1.00 43.45 C ATOM 0 H THR A 74 11.141 13.802 -10.615 1.00 14.14 H new ATOM 0 HA THR A 74 12.778 15.721 -12.107 1.00 60.24 H new ATOM 0 HB THR A 74 13.128 12.725 -11.750 1.00 33.44 H new ATOM 0 HG1 THR A 74 13.114 13.657 -9.665 1.00 53.30 H new ATOM 0 HG21 THR A 74 15.511 13.221 -12.144 1.00 43.45 H new ATOM 0 HG22 THR A 74 14.497 13.727 -13.516 1.00 43.45 H new ATOM 0 HG23 THR A 74 15.111 14.940 -12.369 1.00 43.45 H new ATOM 882 N TYR A 75 10.579 13.875 -13.463 1.00 62.21 N ATOM 883 CA TYR A 75 9.960 13.438 -14.710 1.00 44.41 C ATOM 884 C TYR A 75 9.528 14.639 -15.544 1.00 75.24 C ATOM 885 O TYR A 75 9.767 14.687 -16.752 1.00 14.45 O ATOM 886 CB TYR A 75 8.759 12.528 -14.414 1.00 3.51 C ATOM 887 CG TYR A 75 8.040 12.018 -15.646 1.00 2.44 C ATOM 888 CD1 TYR A 75 8.604 11.030 -16.444 1.00 23.11 C ATOM 889 CD2 TYR A 75 6.793 12.519 -16.004 1.00 4.25 C ATOM 890 CE1 TYR A 75 7.946 10.556 -17.564 1.00 31.34 C ATOM 891 CE2 TYR A 75 6.129 12.051 -17.123 1.00 70.33 C ATOM 892 CZ TYR A 75 6.709 11.070 -17.900 1.00 23.31 C ATOM 893 OH TYR A 75 6.047 10.602 -19.014 1.00 34.21 O ATOM 0 H TYR A 75 9.974 13.804 -12.645 1.00 62.21 H new ATOM 0 HA TYR A 75 10.694 12.872 -15.283 1.00 44.41 H new ATOM 0 HB2 TYR A 75 9.101 11.674 -13.829 1.00 3.51 H new ATOM 0 HB3 TYR A 75 8.049 13.075 -13.794 1.00 3.51 H new ATOM 0 HD1 TYR A 75 9.572 10.626 -16.185 1.00 23.11 H new ATOM 0 HD2 TYR A 75 6.335 13.287 -15.398 1.00 4.25 H new ATOM 0 HE1 TYR A 75 8.398 9.787 -18.173 1.00 31.34 H new ATOM 0 HE2 TYR A 75 5.161 12.451 -17.387 1.00 70.33 H new ATOM 0 HH TYR A 75 5.190 11.069 -19.105 1.00 34.21 H new ATOM 903 N GLN A 76 8.904 15.607 -14.892 1.00 14.31 N ATOM 904 CA GLN A 76 8.455 16.813 -15.569 1.00 72.14 C ATOM 905 C GLN A 76 9.474 17.929 -15.361 1.00 11.23 C ATOM 906 O GLN A 76 9.319 18.710 -14.401 1.00 65.43 O ATOM 907 CB GLN A 76 7.079 17.240 -15.043 1.00 5.32 C ATOM 908 CG GLN A 76 6.438 18.389 -15.816 1.00 62.44 C ATOM 909 CD GLN A 76 6.050 18.003 -17.235 1.00 30.41 C ATOM 910 OE1 GLN A 76 4.947 17.510 -17.474 1.00 21.00 O ATOM 911 NE2 GLN A 76 6.933 18.254 -18.189 1.00 40.23 N ATOM 912 OXT GLN A 76 10.437 18.013 -16.149 1.00 0.00 O ATOM 0 H GLN A 76 8.697 15.581 -13.894 1.00 14.31 H new ATOM 0 HA GLN A 76 8.365 16.609 -16.636 1.00 72.14 H new ATOM 0 HB2 GLN A 76 6.410 16.380 -15.072 1.00 5.32 H new ATOM 0 HB3 GLN A 76 7.178 17.532 -13.997 1.00 5.32 H new ATOM 0 HG2 GLN A 76 5.551 18.729 -15.282 1.00 62.44 H new ATOM 0 HG3 GLN A 76 7.132 19.229 -15.850 1.00 62.44 H new ATOM 0 HE21 GLN A 76 7.837 18.663 -17.952 1.00 40.23 H new ATOM 0 HE22 GLN A 76 6.709 18.038 -19.161 1.00 40.23 H new TER 921 GLN A 76