USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 437 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 1.11 (180deg=1.11) USER MOD Single : A 29 GLN : amide:sc=-1.71e-06 K(o=-1.7e-06,f=-1) USER MOD Single : A 31 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.36) USER MOD Single : A 33 ASN : amide:sc= -0.0291 X(o=-0.029,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS :FLIP no HE2:sc= 0.22 F(o=-0.91,f=0.22) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.372 K(o=-0.37,f=-7!) USER MOD Single : A 48 LYS NZ :NH3+ -153:sc= 1.26 (180deg=1.11) USER MOD Single : A 51 SER OG : rot -18:sc= 0.775 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -152:sc= -0.441 USER MOD Single : A 59 THR OG1 : rot 86:sc= 0.818 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 -73:sc= 1.25 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 20 -0.217 -0.029 -2.813 1.00 52.33 N ATOM 26 CA ASP A 20 -1.420 0.387 -3.522 1.00 31.24 C ATOM 27 C ASP A 20 -1.558 1.904 -3.465 1.00 51.24 C ATOM 28 O ASP A 20 -2.653 2.453 -3.563 1.00 41.14 O ATOM 29 CB ASP A 20 -2.650 -0.288 -2.907 1.00 54.51 C ATOM 30 CG ASP A 20 -2.846 0.059 -1.441 1.00 25.42 C ATOM 31 OD1 ASP A 20 -1.880 -0.065 -0.657 1.00 54.31 O ATOM 32 OD2 ASP A 20 -3.972 0.431 -1.062 1.00 14.54 O ATOM 0 HA ASP A 20 -1.344 0.083 -4.566 1.00 31.24 H new ATOM 0 HB2 ASP A 20 -3.538 0.007 -3.466 1.00 54.51 H new ATOM 0 HB3 ASP A 20 -2.554 -1.369 -3.009 1.00 54.51 H new ATOM 37 N LYS A 21 -0.419 2.572 -3.323 1.00 34.13 N ATOM 38 CA LYS A 21 -0.376 4.028 -3.245 1.00 64.33 C ATOM 39 C LYS A 21 -0.322 4.616 -4.649 1.00 75.12 C ATOM 40 O LYS A 21 0.519 4.210 -5.457 1.00 10.14 O ATOM 41 CB LYS A 21 0.860 4.478 -2.457 1.00 41.02 C ATOM 42 CG LYS A 21 0.922 3.953 -1.031 1.00 14.03 C ATOM 43 CD LYS A 21 -0.137 4.588 -0.149 1.00 10.22 C ATOM 44 CE LYS A 21 -0.013 4.115 1.289 1.00 44.32 C ATOM 45 NZ LYS A 21 -1.000 4.778 2.177 1.00 44.12 N ATOM 0 H LYS A 21 0.495 2.124 -3.259 1.00 34.13 H new ATOM 0 HA LYS A 21 -1.273 4.380 -2.735 1.00 64.33 H new ATOM 0 HB2 LYS A 21 1.754 4.153 -2.990 1.00 41.02 H new ATOM 0 HB3 LYS A 21 0.883 5.567 -2.431 1.00 41.02 H new ATOM 0 HG2 LYS A 21 0.789 2.871 -1.036 1.00 14.03 H new ATOM 0 HG3 LYS A 21 1.909 4.151 -0.613 1.00 14.03 H new ATOM 0 HD2 LYS A 21 -0.042 5.673 -0.187 1.00 10.22 H new ATOM 0 HD3 LYS A 21 -1.128 4.341 -0.531 1.00 10.22 H new ATOM 0 HE2 LYS A 21 -0.156 3.035 1.330 1.00 44.32 H new ATOM 0 HE3 LYS A 21 0.995 4.317 1.652 1.00 44.32 H new ATOM 0 HZ1 LYS A 21 -0.882 4.428 3.149 1.00 44.12 H new ATOM 0 HZ2 LYS A 21 -0.848 5.807 2.159 1.00 44.12 H new ATOM 0 HZ3 LYS A 21 -1.963 4.565 1.846 1.00 44.12 H new ATOM 59 N ASP A 22 -1.207 5.559 -4.938 1.00 34.44 N ATOM 60 CA ASP A 22 -1.244 6.182 -6.254 1.00 0.11 C ATOM 61 C ASP A 22 -0.162 7.250 -6.362 1.00 23.35 C ATOM 62 O ASP A 22 0.014 8.078 -5.465 1.00 11.14 O ATOM 63 CB ASP A 22 -2.628 6.783 -6.546 1.00 11.33 C ATOM 64 CG ASP A 22 -2.963 7.976 -5.673 1.00 31.33 C ATOM 65 OD1 ASP A 22 -3.356 7.768 -4.505 1.00 3.52 O ATOM 66 OD2 ASP A 22 -2.839 9.123 -6.153 1.00 22.54 O ATOM 0 H ASP A 22 -1.906 5.909 -4.283 1.00 34.44 H new ATOM 0 HA ASP A 22 -1.052 5.411 -7.000 1.00 0.11 H new ATOM 0 HB2 ASP A 22 -2.671 7.085 -7.593 1.00 11.33 H new ATOM 0 HB3 ASP A 22 -3.387 6.014 -6.404 1.00 11.33 H new ATOM 71 N LEU A 23 0.586 7.206 -7.452 1.00 34.34 N ATOM 72 CA LEU A 23 1.680 8.143 -7.663 1.00 15.32 C ATOM 73 C LEU A 23 1.323 9.155 -8.744 1.00 72.25 C ATOM 74 O LEU A 23 1.606 10.347 -8.618 1.00 4.05 O ATOM 75 CB LEU A 23 2.948 7.385 -8.057 1.00 74.21 C ATOM 76 CG LEU A 23 4.206 8.243 -8.189 1.00 63.30 C ATOM 77 CD1 LEU A 23 4.543 8.910 -6.863 1.00 15.35 C ATOM 78 CD2 LEU A 23 5.374 7.399 -8.682 1.00 24.41 C ATOM 0 H LEU A 23 0.456 6.531 -8.206 1.00 34.34 H new ATOM 0 HA LEU A 23 1.857 8.681 -6.732 1.00 15.32 H new ATOM 0 HB2 LEU A 23 3.133 6.609 -7.314 1.00 74.21 H new ATOM 0 HB3 LEU A 23 2.770 6.881 -9.007 1.00 74.21 H new ATOM 0 HG LEU A 23 4.015 9.027 -8.922 1.00 63.30 H new ATOM 0 HD11 LEU A 23 5.442 9.516 -6.979 1.00 15.35 H new ATOM 0 HD12 LEU A 23 3.713 9.546 -6.555 1.00 15.35 H new ATOM 0 HD13 LEU A 23 4.716 8.146 -6.105 1.00 15.35 H new ATOM 0 HD21 LEU A 23 6.263 8.024 -8.771 1.00 24.41 H new ATOM 0 HD22 LEU A 23 5.566 6.594 -7.973 1.00 24.41 H new ATOM 0 HD23 LEU A 23 5.130 6.974 -9.656 1.00 24.41 H new ATOM 90 N LEU A 24 0.680 8.675 -9.793 1.00 73.11 N ATOM 91 CA LEU A 24 0.370 9.498 -10.947 1.00 52.53 C ATOM 92 C LEU A 24 -1.136 9.655 -11.085 1.00 70.02 C ATOM 93 O LEU A 24 -1.897 8.950 -10.428 1.00 13.42 O ATOM 94 CB LEU A 24 0.947 8.850 -12.207 1.00 41.04 C ATOM 95 CG LEU A 24 2.453 8.582 -12.172 1.00 44.34 C ATOM 96 CD1 LEU A 24 2.853 7.684 -13.330 1.00 61.11 C ATOM 97 CD2 LEU A 24 3.229 9.891 -12.215 1.00 40.40 C ATOM 0 H LEU A 24 0.360 7.710 -9.869 1.00 73.11 H new ATOM 0 HA LEU A 24 0.814 10.485 -10.815 1.00 52.53 H new ATOM 0 HB2 LEU A 24 0.430 7.906 -12.380 1.00 41.04 H new ATOM 0 HB3 LEU A 24 0.729 9.493 -13.059 1.00 41.04 H new ATOM 0 HG LEU A 24 2.695 8.073 -11.239 1.00 44.34 H new ATOM 0 HD11 LEU A 24 3.927 7.501 -13.294 1.00 61.11 H new ATOM 0 HD12 LEU A 24 2.320 6.736 -13.256 1.00 61.11 H new ATOM 0 HD13 LEU A 24 2.599 8.170 -14.272 1.00 61.11 H new ATOM 0 HD21 LEU A 24 4.298 9.681 -12.189 1.00 40.40 H new ATOM 0 HD22 LEU A 24 2.987 10.428 -13.132 1.00 40.40 H new ATOM 0 HD23 LEU A 24 2.959 10.503 -11.354 1.00 40.40 H new ATOM 109 N LYS A 25 -1.565 10.582 -11.929 1.00 22.14 N ATOM 110 CA LYS A 25 -2.983 10.770 -12.194 1.00 1.12 C ATOM 111 C LYS A 25 -3.234 10.910 -13.691 1.00 21.10 C ATOM 112 O LYS A 25 -2.767 11.862 -14.318 1.00 75.14 O ATOM 113 CB LYS A 25 -3.520 12.015 -11.474 1.00 71.14 C ATOM 114 CG LYS A 25 -3.674 11.868 -9.964 1.00 35.45 C ATOM 115 CD LYS A 25 -4.618 10.734 -9.605 1.00 34.12 C ATOM 116 CE LYS A 25 -5.242 10.921 -8.227 1.00 11.54 C ATOM 117 NZ LYS A 25 -4.229 11.104 -7.153 1.00 43.22 N ATOM 0 H LYS A 25 -0.951 11.215 -12.442 1.00 22.14 H new ATOM 0 HA LYS A 25 -3.506 9.891 -11.818 1.00 1.12 H new ATOM 0 HB2 LYS A 25 -2.850 12.851 -11.676 1.00 71.14 H new ATOM 0 HB3 LYS A 25 -4.490 12.273 -11.900 1.00 71.14 H new ATOM 0 HG2 LYS A 25 -2.698 11.685 -9.514 1.00 35.45 H new ATOM 0 HG3 LYS A 25 -4.049 12.801 -9.544 1.00 35.45 H new ATOM 0 HD2 LYS A 25 -5.407 10.669 -10.354 1.00 34.12 H new ATOM 0 HD3 LYS A 25 -4.075 9.789 -9.631 1.00 34.12 H new ATOM 0 HE2 LYS A 25 -5.903 11.787 -8.248 1.00 11.54 H new ATOM 0 HE3 LYS A 25 -5.860 10.054 -7.993 1.00 11.54 H new ATOM 0 HZ1 LYS A 25 -4.710 11.226 -6.239 1.00 43.22 H new ATOM 0 HZ2 LYS A 25 -3.613 10.267 -7.111 1.00 43.22 H new ATOM 0 HZ3 LYS A 25 -3.655 11.947 -7.357 1.00 43.22 H new ATOM 131 N GLY A 26 -3.960 9.956 -14.257 1.00 54.42 N ATOM 132 CA GLY A 26 -4.391 10.061 -15.641 1.00 63.23 C ATOM 133 C GLY A 26 -3.282 9.845 -16.656 1.00 12.23 C ATOM 134 O GLY A 26 -3.084 10.669 -17.550 1.00 72.02 O ATOM 0 H GLY A 26 -4.261 9.106 -13.781 1.00 54.42 H new ATOM 0 HA2 GLY A 26 -5.180 9.331 -15.821 1.00 63.23 H new ATOM 0 HA3 GLY A 26 -4.827 11.047 -15.800 1.00 63.23 H new ATOM 138 N LEU A 27 -2.558 8.745 -16.529 1.00 4.24 N ATOM 139 CA LEU A 27 -1.572 8.367 -17.535 1.00 73.52 C ATOM 140 C LEU A 27 -1.935 7.023 -18.144 1.00 32.34 C ATOM 141 O LEU A 27 -2.572 6.191 -17.494 1.00 71.34 O ATOM 142 CB LEU A 27 -0.151 8.318 -16.958 1.00 64.21 C ATOM 143 CG LEU A 27 0.548 9.675 -16.811 1.00 22.23 C ATOM 144 CD1 LEU A 27 0.027 10.434 -15.603 1.00 72.15 C ATOM 145 CD2 LEU A 27 2.054 9.497 -16.722 1.00 71.43 C ATOM 0 H LEU A 27 -2.632 8.099 -15.743 1.00 4.24 H new ATOM 0 HA LEU A 27 -1.585 9.133 -18.310 1.00 73.52 H new ATOM 0 HB2 LEU A 27 -0.191 7.842 -15.978 1.00 64.21 H new ATOM 0 HB3 LEU A 27 0.460 7.681 -17.597 1.00 64.21 H new ATOM 0 HG LEU A 27 0.322 10.264 -17.700 1.00 22.23 H new ATOM 0 HD11 LEU A 27 0.542 11.392 -15.525 1.00 72.15 H new ATOM 0 HD12 LEU A 27 -1.044 10.605 -15.715 1.00 72.15 H new ATOM 0 HD13 LEU A 27 0.209 9.850 -14.701 1.00 72.15 H new ATOM 0 HD21 LEU A 27 2.530 10.472 -16.618 1.00 71.43 H new ATOM 0 HD22 LEU A 27 2.297 8.881 -15.857 1.00 71.43 H new ATOM 0 HD23 LEU A 27 2.417 9.011 -17.627 1.00 71.43 H new ATOM 157 N ASP A 28 -1.550 6.822 -19.393 1.00 71.22 N ATOM 158 CA ASP A 28 -1.849 5.579 -20.093 1.00 1.43 C ATOM 159 C ASP A 28 -0.704 4.584 -19.909 1.00 52.41 C ATOM 160 O ASP A 28 0.314 4.913 -19.307 1.00 65.34 O ATOM 161 CB ASP A 28 -2.094 5.850 -21.583 1.00 74.25 C ATOM 162 CG ASP A 28 -2.819 4.710 -22.270 1.00 3.50 C ATOM 163 OD1 ASP A 28 -2.150 3.774 -22.749 1.00 11.11 O ATOM 164 OD2 ASP A 28 -4.066 4.731 -22.308 1.00 62.31 O ATOM 0 H ASP A 28 -1.029 7.503 -19.946 1.00 71.22 H new ATOM 0 HA ASP A 28 -2.756 5.147 -19.670 1.00 1.43 H new ATOM 0 HB2 ASP A 28 -2.677 6.765 -21.691 1.00 74.25 H new ATOM 0 HB3 ASP A 28 -1.139 6.020 -22.080 1.00 74.25 H new ATOM 169 N GLN A 29 -0.873 3.380 -20.439 1.00 75.14 N ATOM 170 CA GLN A 29 0.104 2.309 -20.279 1.00 70.45 C ATOM 171 C GLN A 29 1.465 2.701 -20.845 1.00 44.14 C ATOM 172 O GLN A 29 2.465 2.709 -20.127 1.00 24.42 O ATOM 173 CB GLN A 29 -0.411 1.041 -20.959 1.00 44.03 C ATOM 174 CG GLN A 29 0.599 -0.093 -21.016 1.00 72.41 C ATOM 175 CD GLN A 29 0.067 -1.286 -21.782 1.00 23.40 C ATOM 176 OE1 GLN A 29 -0.762 -1.140 -22.683 1.00 61.21 O ATOM 177 NE2 GLN A 29 0.546 -2.471 -21.443 1.00 13.54 N ATOM 0 H GLN A 29 -1.689 3.118 -20.991 1.00 75.14 H new ATOM 0 HA GLN A 29 0.236 2.123 -19.213 1.00 70.45 H new ATOM 0 HB2 GLN A 29 -1.299 0.695 -20.430 1.00 44.03 H new ATOM 0 HB3 GLN A 29 -0.720 1.288 -21.975 1.00 44.03 H new ATOM 0 HG2 GLN A 29 1.516 0.261 -21.487 1.00 72.41 H new ATOM 0 HG3 GLN A 29 0.859 -0.399 -20.003 1.00 72.41 H new ATOM 0 HE21 GLN A 29 1.231 -2.548 -20.691 1.00 13.54 H new ATOM 0 HE22 GLN A 29 0.230 -3.308 -21.933 1.00 13.54 H new ATOM 186 N GLU A 30 1.498 3.040 -22.129 1.00 45.34 N ATOM 187 CA GLU A 30 2.746 3.407 -22.788 1.00 21.13 C ATOM 188 C GLU A 30 3.297 4.713 -22.226 1.00 72.12 C ATOM 189 O GLU A 30 4.494 4.971 -22.295 1.00 2.25 O ATOM 190 CB GLU A 30 2.546 3.535 -24.298 1.00 5.35 C ATOM 191 CG GLU A 30 1.470 4.529 -24.693 1.00 4.04 C ATOM 192 CD GLU A 30 1.477 4.814 -26.176 1.00 72.00 C ATOM 193 OE1 GLU A 30 1.284 3.869 -26.965 1.00 34.44 O ATOM 194 OE2 GLU A 30 1.678 5.983 -26.562 1.00 65.23 O ATOM 0 H GLU A 30 0.677 3.068 -22.733 1.00 45.34 H new ATOM 0 HA GLU A 30 3.467 2.613 -22.595 1.00 21.13 H new ATOM 0 HB2 GLU A 30 3.489 3.834 -24.756 1.00 5.35 H new ATOM 0 HB3 GLU A 30 2.290 2.557 -24.705 1.00 5.35 H new ATOM 0 HG2 GLU A 30 0.494 4.140 -24.404 1.00 4.04 H new ATOM 0 HG3 GLU A 30 1.618 5.459 -24.145 1.00 4.04 H new ATOM 201 N GLN A 31 2.418 5.528 -21.661 1.00 31.45 N ATOM 202 CA GLN A 31 2.817 6.815 -21.111 1.00 54.44 C ATOM 203 C GLN A 31 3.496 6.619 -19.756 1.00 70.00 C ATOM 204 O GLN A 31 4.401 7.365 -19.384 1.00 22.40 O ATOM 205 CB GLN A 31 1.595 7.725 -20.970 1.00 30.12 C ATOM 206 CG GLN A 31 1.931 9.181 -20.686 1.00 24.01 C ATOM 207 CD GLN A 31 2.841 9.782 -21.739 1.00 32.00 C ATOM 208 OE1 GLN A 31 4.062 9.774 -21.603 1.00 51.21 O ATOM 209 NE2 GLN A 31 2.252 10.285 -22.808 1.00 11.00 N ATOM 0 H GLN A 31 1.423 5.321 -21.571 1.00 31.45 H new ATOM 0 HA GLN A 31 3.527 7.287 -21.790 1.00 54.44 H new ATOM 0 HB2 GLN A 31 1.008 7.671 -21.887 1.00 30.12 H new ATOM 0 HB3 GLN A 31 0.965 7.346 -20.166 1.00 30.12 H new ATOM 0 HG2 GLN A 31 1.009 9.760 -20.634 1.00 24.01 H new ATOM 0 HG3 GLN A 31 2.410 9.256 -19.710 1.00 24.01 H new ATOM 0 HE21 GLN A 31 1.235 10.273 -22.883 1.00 11.00 H new ATOM 0 HE22 GLN A 31 2.814 10.686 -23.559 1.00 11.00 H new ATOM 218 N ALA A 32 3.058 5.593 -19.035 1.00 61.13 N ATOM 219 CA ALA A 32 3.611 5.273 -17.726 1.00 63.33 C ATOM 220 C ALA A 32 4.980 4.610 -17.852 1.00 43.21 C ATOM 221 O ALA A 32 5.749 4.579 -16.890 1.00 30.41 O ATOM 222 CB ALA A 32 2.654 4.378 -16.950 1.00 44.14 C ATOM 0 H ALA A 32 2.315 4.964 -19.339 1.00 61.13 H new ATOM 0 HA ALA A 32 3.740 6.206 -17.178 1.00 63.33 H new ATOM 0 HB1 ALA A 32 3.082 4.148 -15.974 1.00 44.14 H new ATOM 0 HB2 ALA A 32 1.702 4.892 -16.817 1.00 44.14 H new ATOM 0 HB3 ALA A 32 2.492 3.453 -17.503 1.00 44.14 H new ATOM 228 N ASN A 33 5.274 4.081 -19.040 1.00 2.14 N ATOM 229 CA ASN A 33 6.542 3.397 -19.297 1.00 40.33 C ATOM 230 C ASN A 33 7.732 4.289 -18.957 1.00 23.32 C ATOM 231 O ASN A 33 8.712 3.831 -18.372 1.00 41.12 O ATOM 232 CB ASN A 33 6.628 2.948 -20.761 1.00 3.41 C ATOM 233 CG ASN A 33 7.916 2.204 -21.073 1.00 2.55 C ATOM 234 OD1 ASN A 33 8.001 0.988 -20.901 1.00 31.45 O ATOM 235 ND2 ASN A 33 8.923 2.922 -21.549 1.00 3.04 N ATOM 0 H ASN A 33 4.647 4.114 -19.844 1.00 2.14 H new ATOM 0 HA ASN A 33 6.577 2.518 -18.653 1.00 40.33 H new ATOM 0 HB2 ASN A 33 5.778 2.305 -20.990 1.00 3.41 H new ATOM 0 HB3 ASN A 33 6.552 3.821 -21.409 1.00 3.41 H new ATOM 0 HD21 ASN A 33 9.805 2.469 -21.786 1.00 3.04 H new ATOM 0 HD22 ASN A 33 8.816 3.928 -21.678 1.00 3.04 H new ATOM 242 N GLU A 34 7.640 5.563 -19.316 1.00 75.12 N ATOM 243 CA GLU A 34 8.698 6.515 -19.012 1.00 51.32 C ATOM 244 C GLU A 34 8.897 6.612 -17.503 1.00 75.13 C ATOM 245 O GLU A 34 10.019 6.547 -17.008 1.00 64.23 O ATOM 246 CB GLU A 34 8.357 7.894 -19.591 1.00 61.43 C ATOM 247 CG GLU A 34 9.479 8.910 -19.457 1.00 64.05 C ATOM 248 CD GLU A 34 10.735 8.477 -20.180 1.00 74.03 C ATOM 249 OE1 GLU A 34 10.839 8.722 -21.399 1.00 15.30 O ATOM 250 OE2 GLU A 34 11.621 7.876 -19.538 1.00 43.31 O ATOM 0 H GLU A 34 6.845 5.959 -19.817 1.00 75.12 H new ATOM 0 HA GLU A 34 9.624 6.166 -19.468 1.00 51.32 H new ATOM 0 HB2 GLU A 34 8.104 7.783 -20.645 1.00 61.43 H new ATOM 0 HB3 GLU A 34 7.469 8.279 -19.089 1.00 61.43 H new ATOM 0 HG2 GLU A 34 9.147 9.869 -19.854 1.00 64.05 H new ATOM 0 HG3 GLU A 34 9.704 9.062 -18.401 1.00 64.05 H new ATOM 257 N VAL A 35 7.792 6.725 -16.779 1.00 51.31 N ATOM 258 CA VAL A 35 7.838 6.890 -15.335 1.00 24.13 C ATOM 259 C VAL A 35 8.348 5.626 -14.645 1.00 24.11 C ATOM 260 O VAL A 35 9.209 5.698 -13.769 1.00 72.43 O ATOM 261 CB VAL A 35 6.454 7.268 -14.767 1.00 52.44 C ATOM 262 CG1 VAL A 35 6.524 7.466 -13.261 1.00 63.35 C ATOM 263 CG2 VAL A 35 5.924 8.522 -15.446 1.00 54.41 C ATOM 0 H VAL A 35 6.850 6.705 -17.171 1.00 51.31 H new ATOM 0 HA VAL A 35 8.534 7.704 -15.132 1.00 24.13 H new ATOM 0 HB VAL A 35 5.766 6.447 -14.971 1.00 52.44 H new ATOM 0 HG11 VAL A 35 5.537 7.732 -12.883 1.00 63.35 H new ATOM 0 HG12 VAL A 35 6.857 6.542 -12.788 1.00 63.35 H new ATOM 0 HG13 VAL A 35 7.228 8.266 -13.032 1.00 63.35 H new ATOM 0 HG21 VAL A 35 4.947 8.774 -15.033 1.00 54.41 H new ATOM 0 HG22 VAL A 35 6.614 9.348 -15.275 1.00 54.41 H new ATOM 0 HG23 VAL A 35 5.830 8.344 -16.517 1.00 54.41 H new ATOM 273 N ILE A 36 7.831 4.466 -15.047 1.00 32.32 N ATOM 274 CA ILE A 36 8.240 3.208 -14.428 1.00 33.43 C ATOM 275 C ILE A 36 9.720 2.936 -14.694 1.00 11.35 C ATOM 276 O ILE A 36 10.414 2.363 -13.854 1.00 12.21 O ATOM 277 CB ILE A 36 7.378 2.007 -14.901 1.00 51.10 C ATOM 278 CG1 ILE A 36 7.698 0.761 -14.070 1.00 52.12 C ATOM 279 CG2 ILE A 36 7.584 1.723 -16.382 1.00 43.22 C ATOM 280 CD1 ILE A 36 6.799 -0.421 -14.375 1.00 34.15 C ATOM 0 H ILE A 36 7.137 4.372 -15.789 1.00 32.32 H new ATOM 0 HA ILE A 36 8.082 3.315 -13.355 1.00 33.43 H new ATOM 0 HB ILE A 36 6.331 2.271 -14.755 1.00 51.10 H new ATOM 0 HG12 ILE A 36 8.734 0.473 -14.247 1.00 52.12 H new ATOM 0 HG13 ILE A 36 7.612 1.008 -13.012 1.00 52.12 H new ATOM 0 HG21 ILE A 36 6.966 0.876 -16.680 1.00 43.22 H new ATOM 0 HG22 ILE A 36 7.302 2.601 -16.963 1.00 43.22 H new ATOM 0 HG23 ILE A 36 8.633 1.488 -16.565 1.00 43.22 H new ATOM 0 HD11 ILE A 36 7.085 -1.266 -13.749 1.00 34.15 H new ATOM 0 HD12 ILE A 36 5.763 -0.152 -14.171 1.00 34.15 H new ATOM 0 HD13 ILE A 36 6.903 -0.696 -15.425 1.00 34.15 H new ATOM 292 N ALA A 37 10.199 3.380 -15.853 1.00 43.03 N ATOM 293 CA ALA A 37 11.606 3.249 -16.196 1.00 11.43 C ATOM 294 C ALA A 37 12.452 4.129 -15.287 1.00 13.23 C ATOM 295 O ALA A 37 13.490 3.700 -14.797 1.00 54.22 O ATOM 296 CB ALA A 37 11.838 3.601 -17.658 1.00 34.35 C ATOM 0 H ALA A 37 9.631 3.833 -16.569 1.00 43.03 H new ATOM 0 HA ALA A 37 11.905 2.211 -16.049 1.00 11.43 H new ATOM 0 HB1 ALA A 37 12.897 3.496 -17.894 1.00 34.35 H new ATOM 0 HB2 ALA A 37 11.257 2.929 -18.290 1.00 34.35 H new ATOM 0 HB3 ALA A 37 11.526 4.630 -17.839 1.00 34.35 H new ATOM 302 N VAL A 38 11.987 5.356 -15.054 1.00 34.40 N ATOM 303 CA VAL A 38 12.650 6.268 -14.123 1.00 3.41 C ATOM 304 C VAL A 38 12.778 5.621 -12.747 1.00 34.00 C ATOM 305 O VAL A 38 13.873 5.534 -12.189 1.00 50.44 O ATOM 306 CB VAL A 38 11.883 7.608 -13.989 1.00 4.50 C ATOM 307 CG1 VAL A 38 12.491 8.482 -12.900 1.00 50.25 C ATOM 308 CG2 VAL A 38 11.875 8.357 -15.310 1.00 63.12 C ATOM 0 H VAL A 38 11.153 5.741 -15.498 1.00 34.40 H new ATOM 0 HA VAL A 38 13.641 6.478 -14.526 1.00 3.41 H new ATOM 0 HB VAL A 38 10.856 7.374 -13.710 1.00 4.50 H new ATOM 0 HG11 VAL A 38 11.933 9.415 -12.829 1.00 50.25 H new ATOM 0 HG12 VAL A 38 12.446 7.958 -11.945 1.00 50.25 H new ATOM 0 HG13 VAL A 38 13.531 8.699 -13.146 1.00 50.25 H new ATOM 0 HG21 VAL A 38 11.331 9.295 -15.193 1.00 63.12 H new ATOM 0 HG22 VAL A 38 12.900 8.567 -15.615 1.00 63.12 H new ATOM 0 HG23 VAL A 38 11.388 7.747 -16.071 1.00 63.12 H new ATOM 318 N LEU A 39 11.655 5.148 -12.221 1.00 24.10 N ATOM 319 CA LEU A 39 11.627 4.491 -10.918 1.00 32.41 C ATOM 320 C LEU A 39 12.581 3.300 -10.886 1.00 44.40 C ATOM 321 O LEU A 39 13.432 3.199 -10.002 1.00 44.54 O ATOM 322 CB LEU A 39 10.200 4.035 -10.576 1.00 64.13 C ATOM 323 CG LEU A 39 9.309 5.075 -9.876 1.00 42.42 C ATOM 324 CD1 LEU A 39 9.854 5.395 -8.495 1.00 73.01 C ATOM 325 CD2 LEU A 39 9.189 6.348 -10.700 1.00 21.33 C ATOM 0 H LEU A 39 10.746 5.207 -12.679 1.00 24.10 H new ATOM 0 HA LEU A 39 11.955 5.213 -10.170 1.00 32.41 H new ATOM 0 HB2 LEU A 39 9.708 3.726 -11.498 1.00 64.13 H new ATOM 0 HB3 LEU A 39 10.265 3.153 -9.938 1.00 64.13 H new ATOM 0 HG LEU A 39 8.313 4.644 -9.775 1.00 42.42 H new ATOM 0 HD11 LEU A 39 9.212 6.132 -8.013 1.00 73.01 H new ATOM 0 HD12 LEU A 39 9.878 4.486 -7.894 1.00 73.01 H new ATOM 0 HD13 LEU A 39 10.863 5.796 -8.586 1.00 73.01 H new ATOM 0 HD21 LEU A 39 8.553 7.062 -10.177 1.00 21.33 H new ATOM 0 HD22 LEU A 39 10.178 6.782 -10.845 1.00 21.33 H new ATOM 0 HD23 LEU A 39 8.750 6.114 -11.670 1.00 21.33 H new ATOM 337 N GLN A 40 12.462 2.425 -11.875 1.00 51.30 N ATOM 338 CA GLN A 40 13.272 1.215 -11.936 1.00 51.31 C ATOM 339 C GLN A 40 14.755 1.548 -12.097 1.00 14.24 C ATOM 340 O GLN A 40 15.614 0.891 -11.506 1.00 14.12 O ATOM 341 CB GLN A 40 12.790 0.334 -13.090 1.00 11.15 C ATOM 342 CG GLN A 40 13.479 -1.016 -13.170 1.00 35.44 C ATOM 343 CD GLN A 40 12.829 -1.934 -14.188 1.00 53.53 C ATOM 344 OE1 GLN A 40 13.198 -1.939 -15.361 1.00 44.34 O ATOM 345 NE2 GLN A 40 11.857 -2.715 -13.745 1.00 51.22 N ATOM 0 H GLN A 40 11.808 2.531 -12.651 1.00 51.30 H new ATOM 0 HA GLN A 40 13.158 0.673 -10.997 1.00 51.31 H new ATOM 0 HB2 GLN A 40 11.716 0.176 -12.988 1.00 11.15 H new ATOM 0 HB3 GLN A 40 12.947 0.866 -14.029 1.00 11.15 H new ATOM 0 HG2 GLN A 40 14.527 -0.872 -13.431 1.00 35.44 H new ATOM 0 HG3 GLN A 40 13.457 -1.491 -12.189 1.00 35.44 H new ATOM 0 HE21 GLN A 40 11.582 -2.680 -12.764 1.00 51.22 H new ATOM 0 HE22 GLN A 40 11.383 -3.352 -14.385 1.00 51.22 H new ATOM 354 N MET A 41 15.045 2.585 -12.876 1.00 53.35 N ATOM 355 CA MET A 41 16.422 3.009 -13.123 1.00 54.33 C ATOM 356 C MET A 41 17.072 3.540 -11.847 1.00 32.11 C ATOM 357 O MET A 41 18.295 3.522 -11.707 1.00 4.30 O ATOM 358 CB MET A 41 16.456 4.087 -14.212 1.00 20.43 C ATOM 359 CG MET A 41 17.857 4.485 -14.649 1.00 51.41 C ATOM 360 SD MET A 41 17.850 5.839 -15.841 1.00 35.42 S ATOM 361 CE MET A 41 19.603 6.020 -16.159 1.00 20.41 C ATOM 0 H MET A 41 14.342 3.151 -13.350 1.00 53.35 H new ATOM 0 HA MET A 41 16.987 2.139 -13.459 1.00 54.33 H new ATOM 0 HB2 MET A 41 15.904 3.728 -15.081 1.00 20.43 H new ATOM 0 HB3 MET A 41 15.935 4.973 -13.848 1.00 20.43 H new ATOM 0 HG2 MET A 41 18.437 4.778 -13.774 1.00 51.41 H new ATOM 0 HG3 MET A 41 18.356 3.621 -15.088 1.00 51.41 H new ATOM 0 HE1 MET A 41 19.761 6.822 -16.880 1.00 20.41 H new ATOM 0 HE2 MET A 41 20.118 6.261 -15.229 1.00 20.41 H new ATOM 0 HE3 MET A 41 19.998 5.087 -16.562 1.00 20.41 H new ATOM 371 N HIS A 42 16.253 4.003 -10.909 1.00 21.23 N ATOM 372 CA HIS A 42 16.762 4.517 -9.642 1.00 33.04 C ATOM 373 C HIS A 42 16.882 3.399 -8.611 1.00 23.14 C ATOM 374 O HIS A 42 17.080 3.656 -7.425 1.00 72.14 O ATOM 375 CB HIS A 42 15.882 5.652 -9.105 1.00 23.02 C ATOM 376 CG HIS A 42 16.083 6.960 -9.815 1.00 50.14 C ATOM 377 ND1 HIS A 42 15.315 7.608 -10.720 1.00 70.13 N flip ATOM 378 CD2 HIS A 42 17.186 7.763 -9.616 1.00 33.41 C flip ATOM 379 CE1 HIS A 42 15.961 8.772 -11.049 1.00 44.42 C flip ATOM 380 NE2 HIS A 42 17.087 8.842 -10.370 1.00 15.33 N flip ATOM 0 H HIS A 42 15.238 4.033 -11.001 1.00 21.23 H new ATOM 0 HA HIS A 42 17.756 4.923 -9.828 1.00 33.04 H new ATOM 0 HB2 HIS A 42 14.835 5.360 -9.190 1.00 23.02 H new ATOM 0 HB3 HIS A 42 16.089 5.789 -8.044 1.00 23.02 H new ATOM 0 HD1 HIS A 42 14.419 7.289 -11.090 1.00 70.13 H new ATOM 0 HD2 HIS A 42 18.005 7.543 -8.947 1.00 33.41 H new ATOM 0 HE1 HIS A 42 15.604 9.511 -11.751 1.00 44.42 H new ATOM 389 N ASN A 43 16.757 2.157 -9.081 1.00 74.23 N ATOM 390 CA ASN A 43 16.992 0.962 -8.260 1.00 43.41 C ATOM 391 C ASN A 43 15.978 0.822 -7.129 1.00 22.24 C ATOM 392 O ASN A 43 16.272 0.218 -6.097 1.00 33.21 O ATOM 393 CB ASN A 43 18.415 0.959 -7.684 1.00 50.24 C ATOM 394 CG ASN A 43 19.475 0.799 -8.755 1.00 1.31 C ATOM 395 OD1 ASN A 43 19.830 -0.317 -9.133 1.00 61.35 O ATOM 396 ND2 ASN A 43 20.002 1.912 -9.240 1.00 41.01 N ATOM 0 H ASN A 43 16.490 1.948 -10.043 1.00 74.23 H new ATOM 0 HA ASN A 43 16.870 0.106 -8.923 1.00 43.41 H new ATOM 0 HB2 ASN A 43 18.587 1.890 -7.144 1.00 50.24 H new ATOM 0 HB3 ASN A 43 18.509 0.149 -6.961 1.00 50.24 H new ATOM 0 HD21 ASN A 43 20.730 1.863 -9.953 1.00 41.01 H new ATOM 0 HD22 ASN A 43 19.681 2.819 -8.901 1.00 41.01 H new ATOM 403 N ILE A 44 14.781 1.350 -7.327 1.00 1.02 N ATOM 404 CA ILE A 44 13.712 1.178 -6.356 1.00 34.33 C ATOM 405 C ILE A 44 12.617 0.301 -6.962 1.00 21.12 C ATOM 406 O ILE A 44 12.382 0.345 -8.172 1.00 14.11 O ATOM 407 CB ILE A 44 13.134 2.542 -5.891 1.00 31.44 C ATOM 408 CG1 ILE A 44 12.076 2.343 -4.801 1.00 42.34 C ATOM 409 CG2 ILE A 44 12.551 3.317 -7.064 1.00 1.00 C ATOM 410 CD1 ILE A 44 11.535 3.639 -4.241 1.00 54.34 C ATOM 0 H ILE A 44 14.525 1.899 -8.148 1.00 1.02 H new ATOM 0 HA ILE A 44 14.121 0.689 -5.472 1.00 34.33 H new ATOM 0 HB ILE A 44 13.954 3.125 -5.472 1.00 31.44 H new ATOM 0 HG12 ILE A 44 11.250 1.760 -5.209 1.00 42.34 H new ATOM 0 HG13 ILE A 44 12.508 1.758 -3.989 1.00 42.34 H new ATOM 0 HG21 ILE A 44 12.153 4.268 -6.710 1.00 1.00 H new ATOM 0 HG22 ILE A 44 13.332 3.502 -7.802 1.00 1.00 H new ATOM 0 HG23 ILE A 44 11.750 2.736 -7.522 1.00 1.00 H new ATOM 0 HD11 ILE A 44 10.791 3.422 -3.475 1.00 54.34 H new ATOM 0 HD12 ILE A 44 12.350 4.214 -3.802 1.00 54.34 H new ATOM 0 HD13 ILE A 44 11.073 4.217 -5.042 1.00 54.34 H new ATOM 422 N GLU A 45 11.984 -0.522 -6.134 1.00 34.21 N ATOM 423 CA GLU A 45 10.962 -1.445 -6.608 1.00 34.41 C ATOM 424 C GLU A 45 9.740 -0.698 -7.134 1.00 70.45 C ATOM 425 O GLU A 45 8.942 -0.153 -6.370 1.00 42.14 O ATOM 426 CB GLU A 45 10.554 -2.446 -5.512 1.00 1.32 C ATOM 427 CG GLU A 45 10.348 -1.838 -4.131 1.00 4.50 C ATOM 428 CD GLU A 45 11.640 -1.729 -3.348 1.00 64.15 C ATOM 429 OE1 GLU A 45 12.360 -0.727 -3.508 1.00 62.42 O ATOM 430 OE2 GLU A 45 11.952 -2.664 -2.581 1.00 63.44 O ATOM 0 H GLU A 45 12.161 -0.568 -5.131 1.00 34.21 H new ATOM 0 HA GLU A 45 11.396 -2.009 -7.434 1.00 34.41 H new ATOM 0 HB2 GLU A 45 9.631 -2.940 -5.817 1.00 1.32 H new ATOM 0 HB3 GLU A 45 11.320 -3.218 -5.442 1.00 1.32 H new ATOM 0 HG2 GLU A 45 9.905 -0.847 -4.236 1.00 4.50 H new ATOM 0 HG3 GLU A 45 9.638 -2.447 -3.571 1.00 4.50 H new ATOM 437 N ALA A 46 9.617 -0.666 -8.454 1.00 42.50 N ATOM 438 CA ALA A 46 8.490 -0.028 -9.107 1.00 3.23 C ATOM 439 C ALA A 46 7.460 -1.071 -9.504 1.00 32.11 C ATOM 440 O ALA A 46 7.728 -1.940 -10.339 1.00 2.23 O ATOM 441 CB ALA A 46 8.961 0.746 -10.329 1.00 13.24 C ATOM 0 H ALA A 46 10.293 -1.080 -9.096 1.00 42.50 H new ATOM 0 HA ALA A 46 8.027 0.672 -8.411 1.00 3.23 H new ATOM 0 HB1 ALA A 46 8.106 1.221 -10.811 1.00 13.24 H new ATOM 0 HB2 ALA A 46 9.675 1.510 -10.023 1.00 13.24 H new ATOM 0 HB3 ALA A 46 9.440 0.063 -11.030 1.00 13.24 H new ATOM 447 N ASN A 47 6.293 -0.999 -8.893 1.00 4.25 N ATOM 448 CA ASN A 47 5.237 -1.957 -9.161 1.00 42.44 C ATOM 449 C ASN A 47 4.133 -1.293 -9.981 1.00 64.02 C ATOM 450 O ASN A 47 3.854 -0.103 -9.819 1.00 0.14 O ATOM 451 CB ASN A 47 4.685 -2.515 -7.843 1.00 65.21 C ATOM 452 CG ASN A 47 3.951 -3.836 -8.016 1.00 12.24 C ATOM 453 OD1 ASN A 47 3.347 -4.101 -9.053 1.00 75.33 O ATOM 454 ND2 ASN A 47 4.015 -4.687 -7.004 1.00 43.14 N ATOM 0 H ASN A 47 6.052 -0.285 -8.206 1.00 4.25 H new ATOM 0 HA ASN A 47 5.641 -2.789 -9.738 1.00 42.44 H new ATOM 0 HB2 ASN A 47 5.507 -2.652 -7.141 1.00 65.21 H new ATOM 0 HB3 ASN A 47 4.007 -1.784 -7.402 1.00 65.21 H new ATOM 0 HD21 ASN A 47 3.554 -5.595 -7.071 1.00 43.14 H new ATOM 0 HD22 ASN A 47 4.525 -4.435 -6.157 1.00 43.14 H new ATOM 461 N LYS A 48 3.529 -2.064 -10.868 1.00 70.33 N ATOM 462 CA LYS A 48 2.511 -1.562 -11.778 1.00 3.24 C ATOM 463 C LYS A 48 1.121 -1.665 -11.154 1.00 25.15 C ATOM 464 O LYS A 48 0.693 -2.742 -10.741 1.00 14.44 O ATOM 465 CB LYS A 48 2.592 -2.350 -13.096 1.00 5.24 C ATOM 466 CG LYS A 48 1.434 -2.131 -14.064 1.00 43.13 C ATOM 467 CD LYS A 48 0.340 -3.176 -13.881 1.00 21.44 C ATOM 468 CE LYS A 48 -0.642 -3.173 -15.041 1.00 12.25 C ATOM 469 NZ LYS A 48 -1.674 -4.231 -14.897 1.00 40.22 N ATOM 0 H LYS A 48 3.730 -3.058 -10.979 1.00 70.33 H new ATOM 0 HA LYS A 48 2.691 -0.506 -11.980 1.00 3.24 H new ATOM 0 HB2 LYS A 48 3.520 -2.084 -13.601 1.00 5.24 H new ATOM 0 HB3 LYS A 48 2.650 -3.413 -12.861 1.00 5.24 H new ATOM 0 HG2 LYS A 48 1.016 -1.136 -13.912 1.00 43.13 H new ATOM 0 HG3 LYS A 48 1.804 -2.168 -15.088 1.00 43.13 H new ATOM 0 HD2 LYS A 48 0.792 -4.164 -13.790 1.00 21.44 H new ATOM 0 HD3 LYS A 48 -0.195 -2.983 -12.951 1.00 21.44 H new ATOM 0 HE2 LYS A 48 -1.127 -2.199 -15.103 1.00 12.25 H new ATOM 0 HE3 LYS A 48 -0.100 -3.319 -15.975 1.00 12.25 H new ATOM 0 HZ1 LYS A 48 -2.018 -4.510 -15.838 1.00 40.22 H new ATOM 0 HZ2 LYS A 48 -1.260 -5.057 -14.420 1.00 40.22 H new ATOM 0 HZ3 LYS A 48 -2.468 -3.867 -14.332 1.00 40.22 H new ATOM 483 N ILE A 49 0.426 -0.539 -11.079 1.00 5.21 N ATOM 484 CA ILE A 49 -0.939 -0.522 -10.572 1.00 71.52 C ATOM 485 C ILE A 49 -1.897 0.058 -11.611 1.00 5.11 C ATOM 486 O ILE A 49 -1.741 1.197 -12.056 1.00 71.21 O ATOM 487 CB ILE A 49 -1.069 0.276 -9.251 1.00 11.51 C ATOM 488 CG1 ILE A 49 -0.474 1.681 -9.395 1.00 42.43 C ATOM 489 CG2 ILE A 49 -0.399 -0.473 -8.110 1.00 32.33 C ATOM 490 CD1 ILE A 49 -0.667 2.559 -8.174 1.00 23.14 C ATOM 0 H ILE A 49 0.784 0.373 -11.362 1.00 5.21 H new ATOM 0 HA ILE A 49 -1.205 -1.559 -10.366 1.00 71.52 H new ATOM 0 HB ILE A 49 -2.130 0.382 -9.023 1.00 11.51 H new ATOM 0 HG12 ILE A 49 0.593 1.594 -9.602 1.00 42.43 H new ATOM 0 HG13 ILE A 49 -0.927 2.170 -10.257 1.00 42.43 H new ATOM 0 HG21 ILE A 49 -0.499 0.101 -7.189 1.00 32.33 H new ATOM 0 HG22 ILE A 49 -0.874 -1.446 -7.985 1.00 32.33 H new ATOM 0 HG23 ILE A 49 0.658 -0.612 -8.337 1.00 32.33 H new ATOM 0 HD11 ILE A 49 -0.219 3.536 -8.354 1.00 23.14 H new ATOM 0 HD12 ILE A 49 -1.732 2.679 -7.977 1.00 23.14 H new ATOM 0 HD13 ILE A 49 -0.189 2.094 -7.312 1.00 23.14 H new ATOM 502 N ASP A 50 -2.856 -0.752 -12.032 1.00 21.32 N ATOM 503 CA ASP A 50 -3.890 -0.298 -12.952 1.00 30.04 C ATOM 504 C ASP A 50 -5.227 -0.205 -12.228 1.00 3.23 C ATOM 505 O ASP A 50 -5.553 -1.053 -11.395 1.00 43.32 O ATOM 506 CB ASP A 50 -4.004 -1.237 -14.161 1.00 74.42 C ATOM 507 CG ASP A 50 -4.492 -2.624 -13.792 1.00 71.51 C ATOM 508 OD1 ASP A 50 -3.671 -3.447 -13.322 1.00 3.44 O ATOM 509 OD2 ASP A 50 -5.695 -2.904 -13.970 1.00 51.50 O ATOM 0 H ASP A 50 -2.941 -1.729 -11.751 1.00 21.32 H new ATOM 0 HA ASP A 50 -3.612 0.690 -13.318 1.00 30.04 H new ATOM 0 HB2 ASP A 50 -4.687 -0.800 -14.890 1.00 74.42 H new ATOM 0 HB3 ASP A 50 -3.030 -1.317 -14.644 1.00 74.42 H new ATOM 514 N SER A 51 -5.982 0.842 -12.521 1.00 41.34 N ATOM 515 CA SER A 51 -7.303 1.038 -11.933 1.00 23.01 C ATOM 516 C SER A 51 -8.128 1.956 -12.825 1.00 11.02 C ATOM 517 O SER A 51 -7.574 2.796 -13.527 1.00 51.31 O ATOM 518 CB SER A 51 -7.190 1.645 -10.528 1.00 71.34 C ATOM 519 OG SER A 51 -6.421 0.821 -9.668 1.00 34.34 O ATOM 0 H SER A 51 -5.701 1.578 -13.169 1.00 41.34 H new ATOM 0 HA SER A 51 -7.794 0.068 -11.851 1.00 23.01 H new ATOM 0 HB2 SER A 51 -6.733 2.632 -10.592 1.00 71.34 H new ATOM 0 HB3 SER A 51 -8.186 1.782 -10.108 1.00 71.34 H new ATOM 0 HG SER A 51 -6.361 -0.081 -10.047 1.00 34.34 H new ATOM 525 N GLY A 52 -9.444 1.801 -12.795 1.00 12.13 N ATOM 526 CA GLY A 52 -10.308 2.626 -13.621 1.00 41.41 C ATOM 527 C GLY A 52 -10.186 4.107 -13.306 1.00 63.30 C ATOM 528 O GLY A 52 -10.096 4.936 -14.209 1.00 2.34 O ATOM 0 H GLY A 52 -9.931 1.119 -12.214 1.00 12.13 H new ATOM 0 HA2 GLY A 52 -10.065 2.461 -14.671 1.00 41.41 H new ATOM 0 HA3 GLY A 52 -11.343 2.314 -13.481 1.00 41.41 H new ATOM 532 N LYS A 53 -10.152 4.433 -12.022 1.00 70.32 N ATOM 533 CA LYS A 53 -10.099 5.825 -11.577 1.00 50.32 C ATOM 534 C LYS A 53 -8.723 6.441 -11.806 1.00 63.21 C ATOM 535 O LYS A 53 -8.566 7.661 -11.781 1.00 11.13 O ATOM 536 CB LYS A 53 -10.432 5.904 -10.086 1.00 64.10 C ATOM 537 CG LYS A 53 -9.428 5.169 -9.210 1.00 42.11 C ATOM 538 CD LYS A 53 -9.789 5.255 -7.739 1.00 44.05 C ATOM 539 CE LYS A 53 -8.775 4.520 -6.877 1.00 70.21 C ATOM 540 NZ LYS A 53 -9.169 4.511 -5.445 1.00 13.41 N ATOM 0 H LYS A 53 -10.160 3.751 -11.264 1.00 70.32 H new ATOM 0 HA LYS A 53 -10.829 6.384 -12.163 1.00 50.32 H new ATOM 0 HB2 LYS A 53 -10.471 6.950 -9.784 1.00 64.10 H new ATOM 0 HB3 LYS A 53 -11.425 5.486 -9.919 1.00 64.10 H new ATOM 0 HG2 LYS A 53 -9.381 4.123 -9.511 1.00 42.11 H new ATOM 0 HG3 LYS A 53 -8.435 5.590 -9.365 1.00 42.11 H new ATOM 0 HD2 LYS A 53 -9.838 6.301 -7.435 1.00 44.05 H new ATOM 0 HD3 LYS A 53 -10.780 4.830 -7.580 1.00 44.05 H new ATOM 0 HE2 LYS A 53 -8.672 3.494 -7.232 1.00 70.21 H new ATOM 0 HE3 LYS A 53 -7.799 4.993 -6.982 1.00 70.21 H new ATOM 0 HZ1 LYS A 53 -8.452 4.001 -4.891 1.00 13.41 H new ATOM 0 HZ2 LYS A 53 -9.242 5.489 -5.099 1.00 13.41 H new ATOM 0 HZ3 LYS A 53 -10.089 4.037 -5.341 1.00 13.41 H new ATOM 554 N LEU A 54 -7.729 5.595 -12.023 1.00 61.34 N ATOM 555 CA LEU A 54 -6.346 6.042 -12.017 1.00 42.24 C ATOM 556 C LEU A 54 -5.705 5.928 -13.401 1.00 15.31 C ATOM 557 O LEU A 54 -4.950 6.808 -13.825 1.00 12.41 O ATOM 558 CB LEU A 54 -5.558 5.211 -11.003 1.00 4.14 C ATOM 559 CG LEU A 54 -4.207 5.788 -10.591 1.00 1.43 C ATOM 560 CD1 LEU A 54 -4.394 7.120 -9.878 1.00 51.31 C ATOM 561 CD2 LEU A 54 -3.468 4.806 -9.696 1.00 74.44 C ATOM 0 H LEU A 54 -7.853 4.599 -12.205 1.00 61.34 H new ATOM 0 HA LEU A 54 -6.326 7.095 -11.737 1.00 42.24 H new ATOM 0 HB2 LEU A 54 -6.168 5.086 -10.109 1.00 4.14 H new ATOM 0 HB3 LEU A 54 -5.397 4.217 -11.420 1.00 4.14 H new ATOM 0 HG LEU A 54 -3.612 5.958 -11.488 1.00 1.43 H new ATOM 0 HD11 LEU A 54 -3.421 7.519 -9.591 1.00 51.31 H new ATOM 0 HD12 LEU A 54 -4.891 7.823 -10.546 1.00 51.31 H new ATOM 0 HD13 LEU A 54 -5.004 6.973 -8.986 1.00 51.31 H new ATOM 0 HD21 LEU A 54 -2.505 5.229 -9.409 1.00 74.44 H new ATOM 0 HD22 LEU A 54 -4.060 4.612 -8.802 1.00 74.44 H new ATOM 0 HD23 LEU A 54 -3.308 3.872 -10.235 1.00 74.44 H new ATOM 573 N GLY A 55 -6.023 4.850 -14.102 1.00 10.43 N ATOM 574 CA GLY A 55 -5.367 4.551 -15.354 1.00 31.41 C ATOM 575 C GLY A 55 -4.173 3.653 -15.130 1.00 64.12 C ATOM 576 O GLY A 55 -4.298 2.586 -14.527 1.00 14.12 O ATOM 0 H GLY A 55 -6.731 4.172 -13.821 1.00 10.43 H new ATOM 0 HA2 GLY A 55 -6.070 4.067 -16.032 1.00 31.41 H new ATOM 0 HA3 GLY A 55 -5.047 5.477 -15.833 1.00 31.41 H new ATOM 580 N TYR A 56 -3.017 4.085 -15.602 1.00 41.11 N ATOM 581 CA TYR A 56 -1.780 3.378 -15.340 1.00 12.15 C ATOM 582 C TYR A 56 -0.836 4.257 -14.539 1.00 71.33 C ATOM 583 O TYR A 56 -0.496 5.366 -14.954 1.00 45.43 O ATOM 584 CB TYR A 56 -1.119 2.932 -16.643 1.00 21.00 C ATOM 585 CG TYR A 56 -1.674 1.639 -17.187 1.00 2.43 C ATOM 586 CD1 TYR A 56 -2.766 1.625 -18.045 1.00 2.32 C ATOM 587 CD2 TYR A 56 -1.095 0.426 -16.844 1.00 20.14 C ATOM 588 CE1 TYR A 56 -3.267 0.436 -18.542 1.00 4.55 C ATOM 589 CE2 TYR A 56 -1.589 -0.765 -17.334 1.00 51.11 C ATOM 590 CZ TYR A 56 -2.671 -0.755 -18.184 1.00 34.14 C ATOM 591 OH TYR A 56 -3.161 -1.945 -18.672 1.00 44.32 O ATOM 0 H TYR A 56 -2.911 4.925 -16.170 1.00 41.11 H new ATOM 0 HA TYR A 56 -2.011 2.486 -14.757 1.00 12.15 H new ATOM 0 HB2 TYR A 56 -1.244 3.715 -17.391 1.00 21.00 H new ATOM 0 HB3 TYR A 56 -0.048 2.817 -16.477 1.00 21.00 H new ATOM 0 HD1 TYR A 56 -3.231 2.558 -18.328 1.00 2.32 H new ATOM 0 HD2 TYR A 56 -0.242 0.414 -16.181 1.00 20.14 H new ATOM 0 HE1 TYR A 56 -4.119 0.440 -19.206 1.00 4.55 H new ATOM 0 HE2 TYR A 56 -1.129 -1.701 -17.052 1.00 51.11 H new ATOM 0 HH TYR A 56 -2.625 -2.687 -18.322 1.00 44.32 H new ATOM 601 N SER A 57 -0.445 3.774 -13.374 1.00 61.30 N ATOM 602 CA SER A 57 0.469 4.503 -12.521 1.00 55.31 C ATOM 603 C SER A 57 1.463 3.555 -11.873 1.00 51.54 C ATOM 604 O SER A 57 1.321 2.332 -11.957 1.00 52.40 O ATOM 605 CB SER A 57 -0.307 5.277 -11.457 1.00 35.44 C ATOM 606 OG SER A 57 -1.175 6.224 -12.057 1.00 10.15 O ATOM 0 H SER A 57 -0.749 2.876 -12.998 1.00 61.30 H new ATOM 0 HA SER A 57 1.024 5.214 -13.132 1.00 55.31 H new ATOM 0 HB2 SER A 57 -0.885 4.584 -10.845 1.00 35.44 H new ATOM 0 HB3 SER A 57 0.389 5.786 -10.791 1.00 35.44 H new ATOM 0 HG SER A 57 -1.311 6.977 -11.445 1.00 10.15 H new ATOM 612 N ILE A 58 2.471 4.124 -11.236 1.00 11.33 N ATOM 613 CA ILE A 58 3.519 3.338 -10.611 1.00 50.24 C ATOM 614 C ILE A 58 3.375 3.401 -9.100 1.00 13.13 C ATOM 615 O ILE A 58 3.020 4.442 -8.554 1.00 21.33 O ATOM 616 CB ILE A 58 4.919 3.861 -11.006 1.00 44.41 C ATOM 617 CG1 ILE A 58 4.975 4.160 -12.509 1.00 41.02 C ATOM 618 CG2 ILE A 58 5.998 2.859 -10.624 1.00 23.40 C ATOM 619 CD1 ILE A 58 4.619 2.977 -13.387 1.00 64.21 C ATOM 0 H ILE A 58 2.586 5.133 -11.138 1.00 11.33 H new ATOM 0 HA ILE A 58 3.420 2.309 -10.956 1.00 50.24 H new ATOM 0 HB ILE A 58 5.103 4.786 -10.460 1.00 44.41 H new ATOM 0 HG12 ILE A 58 4.294 4.982 -12.731 1.00 41.02 H new ATOM 0 HG13 ILE A 58 5.979 4.500 -12.764 1.00 41.02 H new ATOM 0 HG21 ILE A 58 6.975 3.249 -10.912 1.00 23.40 H new ATOM 0 HG22 ILE A 58 5.976 2.694 -9.547 1.00 23.40 H new ATOM 0 HG23 ILE A 58 5.817 1.916 -11.139 1.00 23.40 H new ATOM 0 HD11 ILE A 58 4.682 3.270 -14.435 1.00 64.21 H new ATOM 0 HD12 ILE A 58 5.315 2.160 -13.196 1.00 64.21 H new ATOM 0 HD13 ILE A 58 3.604 2.650 -13.162 1.00 64.21 H new ATOM 631 N THR A 59 3.624 2.295 -8.428 1.00 10.43 N ATOM 632 CA THR A 59 3.595 2.284 -6.981 1.00 62.24 C ATOM 633 C THR A 59 4.894 1.697 -6.440 1.00 53.45 C ATOM 634 O THR A 59 5.557 0.904 -7.109 1.00 33.14 O ATOM 635 CB THR A 59 2.383 1.497 -6.435 1.00 24.43 C ATOM 636 OG1 THR A 59 2.124 1.870 -5.072 1.00 25.12 O ATOM 637 CG2 THR A 59 2.618 -0.002 -6.522 1.00 21.23 C ATOM 0 H THR A 59 3.847 1.398 -8.858 1.00 10.43 H new ATOM 0 HA THR A 59 3.493 3.315 -6.642 1.00 62.24 H new ATOM 0 HB THR A 59 1.517 1.745 -7.049 1.00 24.43 H new ATOM 0 HG1 THR A 59 1.558 2.670 -5.054 1.00 25.12 H new ATOM 0 HG21 THR A 59 1.748 -0.530 -6.131 1.00 21.23 H new ATOM 0 HG22 THR A 59 2.777 -0.286 -7.562 1.00 21.23 H new ATOM 0 HG23 THR A 59 3.498 -0.267 -5.935 1.00 21.23 H new ATOM 645 N VAL A 60 5.255 2.108 -5.242 1.00 13.32 N ATOM 646 CA VAL A 60 6.480 1.658 -4.604 1.00 23.25 C ATOM 647 C VAL A 60 6.202 1.274 -3.161 1.00 32.20 C ATOM 648 O VAL A 60 5.060 1.393 -2.696 1.00 41.13 O ATOM 649 CB VAL A 60 7.585 2.736 -4.641 1.00 45.42 C ATOM 650 CG1 VAL A 60 7.993 3.053 -6.073 1.00 60.01 C ATOM 651 CG2 VAL A 60 7.130 3.997 -3.920 1.00 55.44 C ATOM 0 H VAL A 60 4.710 2.763 -4.682 1.00 13.32 H new ATOM 0 HA VAL A 60 6.836 0.792 -5.162 1.00 23.25 H new ATOM 0 HB VAL A 60 8.458 2.340 -4.123 1.00 45.42 H new ATOM 0 HG11 VAL A 60 8.772 3.815 -6.069 1.00 60.01 H new ATOM 0 HG12 VAL A 60 8.371 2.150 -6.552 1.00 60.01 H new ATOM 0 HG13 VAL A 60 7.128 3.421 -6.625 1.00 60.01 H new ATOM 0 HG21 VAL A 60 7.923 4.744 -3.958 1.00 55.44 H new ATOM 0 HG22 VAL A 60 6.237 4.391 -4.405 1.00 55.44 H new ATOM 0 HG23 VAL A 60 6.904 3.760 -2.880 1.00 55.44 H new ATOM 661 N ALA A 61 7.224 0.761 -2.484 1.00 22.13 N ATOM 662 CA ALA A 61 7.135 0.460 -1.059 1.00 72.44 C ATOM 663 C ALA A 61 6.553 1.650 -0.298 1.00 42.54 C ATOM 664 O ALA A 61 6.882 2.801 -0.591 1.00 53.43 O ATOM 665 CB ALA A 61 8.507 0.093 -0.512 1.00 22.23 C ATOM 0 H ALA A 61 8.129 0.544 -2.902 1.00 22.13 H new ATOM 0 HA ALA A 61 6.469 -0.392 -0.923 1.00 72.44 H new ATOM 0 HB1 ALA A 61 8.427 -0.129 0.552 1.00 22.23 H new ATOM 0 HB2 ALA A 61 8.886 -0.783 -1.038 1.00 22.23 H new ATOM 0 HB3 ALA A 61 9.192 0.928 -0.658 1.00 22.23 H new ATOM 671 N GLU A 62 5.685 1.358 0.667 1.00 50.45 N ATOM 672 CA GLU A 62 4.931 2.387 1.388 1.00 70.40 C ATOM 673 C GLU A 62 5.823 3.523 1.910 1.00 34.02 C ATOM 674 O GLU A 62 5.584 4.687 1.586 1.00 15.41 O ATOM 675 CB GLU A 62 4.121 1.779 2.546 1.00 61.42 C ATOM 676 CG GLU A 62 2.910 0.971 2.103 1.00 45.05 C ATOM 677 CD GLU A 62 3.285 -0.315 1.400 1.00 43.12 C ATOM 678 OE1 GLU A 62 3.563 -0.274 0.190 1.00 4.55 O ATOM 679 OE2 GLU A 62 3.297 -1.373 2.052 1.00 31.40 O ATOM 0 H GLU A 62 5.483 0.406 0.972 1.00 50.45 H new ATOM 0 HA GLU A 62 4.243 2.820 0.662 1.00 70.40 H new ATOM 0 HB2 GLU A 62 4.776 1.137 3.135 1.00 61.42 H new ATOM 0 HB3 GLU A 62 3.787 2.583 3.202 1.00 61.42 H new ATOM 0 HG2 GLU A 62 2.297 0.738 2.974 1.00 45.05 H new ATOM 0 HG3 GLU A 62 2.298 1.579 1.436 1.00 45.05 H new ATOM 686 N PRO A 63 6.871 3.223 2.712 1.00 1.14 N ATOM 687 CA PRO A 63 7.719 4.267 3.296 1.00 62.40 C ATOM 688 C PRO A 63 8.654 4.916 2.275 1.00 31.23 C ATOM 689 O PRO A 63 9.352 5.884 2.584 1.00 13.22 O ATOM 690 CB PRO A 63 8.524 3.518 4.359 1.00 52.44 C ATOM 691 CG PRO A 63 8.597 2.119 3.859 1.00 4.11 C ATOM 692 CD PRO A 63 7.310 1.870 3.123 1.00 61.35 C ATOM 0 HA PRO A 63 7.125 5.092 3.690 1.00 62.40 H new ATOM 0 HB2 PRO A 63 9.518 3.948 4.479 1.00 52.44 H new ATOM 0 HB3 PRO A 63 8.036 3.566 5.332 1.00 52.44 H new ATOM 0 HG2 PRO A 63 9.455 1.985 3.200 1.00 4.11 H new ATOM 0 HG3 PRO A 63 8.716 1.416 4.684 1.00 4.11 H new ATOM 0 HD2 PRO A 63 7.461 1.220 2.262 1.00 61.35 H new ATOM 0 HD3 PRO A 63 6.571 1.386 3.762 1.00 61.35 H new ATOM 700 N ASP A 64 8.666 4.385 1.061 1.00 74.54 N ATOM 701 CA ASP A 64 9.512 4.920 0.001 1.00 65.34 C ATOM 702 C ASP A 64 8.691 5.744 -0.978 1.00 50.04 C ATOM 703 O ASP A 64 9.171 6.123 -2.048 1.00 34.24 O ATOM 704 CB ASP A 64 10.241 3.792 -0.736 1.00 62.21 C ATOM 705 CG ASP A 64 11.460 3.299 0.017 1.00 40.22 C ATOM 706 OD1 ASP A 64 12.549 3.883 -0.161 1.00 44.23 O ATOM 707 OD2 ASP A 64 11.341 2.331 0.796 1.00 31.44 O ATOM 0 H ASP A 64 8.099 3.583 0.784 1.00 74.54 H new ATOM 0 HA ASP A 64 10.257 5.569 0.461 1.00 65.34 H new ATOM 0 HB2 ASP A 64 9.554 2.961 -0.892 1.00 62.21 H new ATOM 0 HB3 ASP A 64 10.545 4.144 -1.722 1.00 62.21 H new ATOM 712 N PHE A 65 7.450 6.035 -0.599 1.00 44.50 N ATOM 713 CA PHE A 65 6.567 6.853 -1.421 1.00 21.23 C ATOM 714 C PHE A 65 7.177 8.234 -1.640 1.00 44.41 C ATOM 715 O PHE A 65 7.063 8.814 -2.721 1.00 60.11 O ATOM 716 CB PHE A 65 5.189 6.973 -0.761 1.00 51.12 C ATOM 717 CG PHE A 65 4.184 7.738 -1.574 1.00 54.44 C ATOM 718 CD1 PHE A 65 3.584 7.160 -2.682 1.00 15.21 C ATOM 719 CD2 PHE A 65 3.837 9.033 -1.227 1.00 1.31 C ATOM 720 CE1 PHE A 65 2.658 7.862 -3.428 1.00 63.21 C ATOM 721 CE2 PHE A 65 2.911 9.739 -1.968 1.00 64.03 C ATOM 722 CZ PHE A 65 2.320 9.152 -3.070 1.00 22.55 C ATOM 0 H PHE A 65 7.033 5.715 0.275 1.00 44.50 H new ATOM 0 HA PHE A 65 6.446 6.371 -2.391 1.00 21.23 H new ATOM 0 HB2 PHE A 65 4.801 5.972 -0.571 1.00 51.12 H new ATOM 0 HB3 PHE A 65 5.303 7.460 0.208 1.00 51.12 H new ATOM 0 HD1 PHE A 65 3.843 6.150 -2.965 1.00 15.21 H new ATOM 0 HD2 PHE A 65 4.296 9.496 -0.366 1.00 1.31 H new ATOM 0 HE1 PHE A 65 2.199 7.402 -4.291 1.00 63.21 H new ATOM 0 HE2 PHE A 65 2.649 10.748 -1.687 1.00 64.03 H new ATOM 0 HZ PHE A 65 1.594 9.702 -3.651 1.00 22.55 H new ATOM 732 N THR A 66 7.843 8.743 -0.613 1.00 42.51 N ATOM 733 CA THR A 66 8.504 10.038 -0.692 1.00 25.53 C ATOM 734 C THR A 66 9.603 10.029 -1.760 1.00 4.23 C ATOM 735 O THR A 66 9.815 11.023 -2.458 1.00 33.11 O ATOM 736 CB THR A 66 9.092 10.449 0.679 1.00 11.44 C ATOM 737 OG1 THR A 66 9.703 11.742 0.598 1.00 3.53 O ATOM 738 CG2 THR A 66 10.113 9.433 1.177 1.00 61.13 C ATOM 0 H THR A 66 7.940 8.276 0.289 1.00 42.51 H new ATOM 0 HA THR A 66 7.752 10.774 -0.977 1.00 25.53 H new ATOM 0 HB THR A 66 8.266 10.483 1.389 1.00 11.44 H new ATOM 0 HG1 THR A 66 10.068 11.987 1.474 1.00 3.53 H new ATOM 0 HG21 THR A 66 10.505 9.754 2.142 1.00 61.13 H new ATOM 0 HG22 THR A 66 9.635 8.460 1.285 1.00 61.13 H new ATOM 0 HG23 THR A 66 10.931 9.358 0.460 1.00 61.13 H new ATOM 746 N ALA A 67 10.275 8.890 -1.910 1.00 42.52 N ATOM 747 CA ALA A 67 11.321 8.753 -2.908 1.00 61.42 C ATOM 748 C ALA A 67 10.716 8.729 -4.303 1.00 0.42 C ATOM 749 O ALA A 67 11.251 9.337 -5.227 1.00 71.11 O ATOM 750 CB ALA A 67 12.141 7.499 -2.653 1.00 4.20 C ATOM 0 H ALA A 67 10.111 8.052 -1.352 1.00 42.52 H new ATOM 0 HA ALA A 67 11.987 9.613 -2.836 1.00 61.42 H new ATOM 0 HB1 ALA A 67 12.920 7.413 -3.411 1.00 4.20 H new ATOM 0 HB2 ALA A 67 12.600 7.559 -1.666 1.00 4.20 H new ATOM 0 HB3 ALA A 67 11.492 6.624 -2.699 1.00 4.20 H new ATOM 756 N ALA A 68 9.588 8.041 -4.439 1.00 73.14 N ATOM 757 CA ALA A 68 8.869 7.985 -5.707 1.00 14.15 C ATOM 758 C ALA A 68 8.523 9.388 -6.187 1.00 25.31 C ATOM 759 O ALA A 68 8.796 9.748 -7.331 1.00 55.43 O ATOM 760 CB ALA A 68 7.609 7.146 -5.561 1.00 54.43 C ATOM 0 H ALA A 68 9.150 7.513 -3.684 1.00 73.14 H new ATOM 0 HA ALA A 68 9.514 7.518 -6.451 1.00 14.15 H new ATOM 0 HB1 ALA A 68 7.082 7.112 -6.514 1.00 54.43 H new ATOM 0 HB2 ALA A 68 7.879 6.134 -5.260 1.00 54.43 H new ATOM 0 HB3 ALA A 68 6.962 7.590 -4.804 1.00 54.43 H new ATOM 766 N VAL A 69 7.949 10.186 -5.291 1.00 21.11 N ATOM 767 CA VAL A 69 7.595 11.568 -5.604 1.00 24.13 C ATOM 768 C VAL A 69 8.845 12.383 -5.924 1.00 32.11 C ATOM 769 O VAL A 69 8.835 13.245 -6.805 1.00 60.21 O ATOM 770 CB VAL A 69 6.832 12.237 -4.438 1.00 73.51 C ATOM 771 CG1 VAL A 69 6.442 13.667 -4.786 1.00 22.50 C ATOM 772 CG2 VAL A 69 5.601 11.425 -4.070 1.00 71.33 C ATOM 0 H VAL A 69 7.718 9.899 -4.340 1.00 21.11 H new ATOM 0 HA VAL A 69 6.942 11.544 -6.477 1.00 24.13 H new ATOM 0 HB VAL A 69 7.498 12.269 -3.576 1.00 73.51 H new ATOM 0 HG11 VAL A 69 5.907 14.112 -3.947 1.00 22.50 H new ATOM 0 HG12 VAL A 69 7.340 14.249 -4.994 1.00 22.50 H new ATOM 0 HG13 VAL A 69 5.800 13.665 -5.667 1.00 22.50 H new ATOM 0 HG21 VAL A 69 5.077 11.911 -3.247 1.00 71.33 H new ATOM 0 HG22 VAL A 69 4.939 11.357 -4.933 1.00 71.33 H new ATOM 0 HG23 VAL A 69 5.904 10.423 -3.765 1.00 71.33 H new ATOM 782 N TYR A 70 9.926 12.086 -5.214 1.00 15.34 N ATOM 783 CA TYR A 70 11.193 12.775 -5.411 1.00 13.21 C ATOM 784 C TYR A 70 11.724 12.536 -6.823 1.00 50.51 C ATOM 785 O TYR A 70 12.268 13.442 -7.455 1.00 44.33 O ATOM 786 CB TYR A 70 12.210 12.303 -4.369 1.00 13.10 C ATOM 787 CG TYR A 70 13.442 13.174 -4.280 1.00 21.41 C ATOM 788 CD1 TYR A 70 13.438 14.334 -3.516 1.00 14.13 C ATOM 789 CD2 TYR A 70 14.606 12.841 -4.959 1.00 32.34 C ATOM 790 CE1 TYR A 70 14.556 15.136 -3.432 1.00 54.34 C ATOM 791 CE2 TYR A 70 15.732 13.640 -4.879 1.00 43.15 C ATOM 792 CZ TYR A 70 15.700 14.787 -4.114 1.00 3.20 C ATOM 793 OH TYR A 70 16.817 15.586 -4.022 1.00 33.25 O ATOM 0 H TYR A 70 9.949 11.367 -4.491 1.00 15.34 H new ATOM 0 HA TYR A 70 11.031 13.846 -5.287 1.00 13.21 H new ATOM 0 HB2 TYR A 70 11.727 12.272 -3.392 1.00 13.10 H new ATOM 0 HB3 TYR A 70 12.514 11.284 -4.607 1.00 13.10 H new ATOM 0 HD1 TYR A 70 12.544 14.612 -2.979 1.00 14.13 H new ATOM 0 HD2 TYR A 70 14.633 11.944 -5.559 1.00 32.34 H new ATOM 0 HE1 TYR A 70 14.535 16.035 -2.833 1.00 54.34 H new ATOM 0 HE2 TYR A 70 16.631 13.367 -5.412 1.00 43.15 H new ATOM 0 HH TYR A 70 17.540 15.201 -4.561 1.00 33.25 H new ATOM 803 N TRP A 71 11.549 11.319 -7.322 1.00 34.41 N ATOM 804 CA TRP A 71 11.994 10.978 -8.667 1.00 55.30 C ATOM 805 C TRP A 71 11.106 11.644 -9.712 1.00 32.20 C ATOM 806 O TRP A 71 11.572 12.015 -10.789 1.00 73.23 O ATOM 807 CB TRP A 71 12.005 9.458 -8.875 1.00 60.34 C ATOM 808 CG TRP A 71 12.867 8.714 -7.894 1.00 52.15 C ATOM 809 CD1 TRP A 71 12.591 7.504 -7.325 1.00 21.04 C ATOM 810 CD2 TRP A 71 14.132 9.127 -7.357 1.00 34.35 C ATOM 811 NE1 TRP A 71 13.606 7.135 -6.478 1.00 73.12 N ATOM 812 CE2 TRP A 71 14.562 8.113 -6.479 1.00 1.43 C ATOM 813 CE3 TRP A 71 14.946 10.249 -7.536 1.00 71.20 C ATOM 814 CZ2 TRP A 71 15.765 8.191 -5.782 1.00 34.33 C ATOM 815 CZ3 TRP A 71 16.137 10.325 -6.842 1.00 41.11 C ATOM 816 CH2 TRP A 71 16.537 9.303 -5.975 1.00 21.21 C ATOM 0 H TRP A 71 11.103 10.553 -6.817 1.00 34.41 H new ATOM 0 HA TRP A 71 13.013 11.348 -8.785 1.00 55.30 H new ATOM 0 HB2 TRP A 71 10.984 9.084 -8.802 1.00 60.34 H new ATOM 0 HB3 TRP A 71 12.352 9.242 -9.885 1.00 60.34 H new ATOM 0 HD1 TRP A 71 11.702 6.921 -7.514 1.00 21.04 H new ATOM 0 HE1 TRP A 71 13.642 6.272 -5.936 1.00 73.12 H new ATOM 0 HE3 TRP A 71 14.648 11.043 -8.205 1.00 71.20 H new ATOM 0 HZ2 TRP A 71 16.077 7.402 -5.114 1.00 34.33 H new ATOM 0 HZ3 TRP A 71 16.771 11.189 -6.971 1.00 41.11 H new ATOM 0 HH2 TRP A 71 17.475 9.394 -5.447 1.00 21.21 H new ATOM 827 N ILE A 72 9.833 11.821 -9.376 1.00 42.54 N ATOM 828 CA ILE A 72 8.877 12.466 -10.274 1.00 75.11 C ATOM 829 C ILE A 72 9.266 13.926 -10.530 1.00 32.34 C ATOM 830 O ILE A 72 8.854 14.526 -11.521 1.00 22.25 O ATOM 831 CB ILE A 72 7.437 12.400 -9.705 1.00 73.43 C ATOM 832 CG1 ILE A 72 7.025 10.947 -9.457 1.00 73.13 C ATOM 833 CG2 ILE A 72 6.440 13.072 -10.641 1.00 74.40 C ATOM 834 CD1 ILE A 72 7.081 10.073 -10.694 1.00 74.32 C ATOM 0 H ILE A 72 9.436 11.526 -8.484 1.00 42.54 H new ATOM 0 HA ILE A 72 8.902 11.922 -11.218 1.00 75.11 H new ATOM 0 HB ILE A 72 7.430 12.939 -8.757 1.00 73.43 H new ATOM 0 HG12 ILE A 72 7.675 10.521 -8.693 1.00 73.13 H new ATOM 0 HG13 ILE A 72 6.011 10.930 -9.058 1.00 73.13 H new ATOM 0 HG21 ILE A 72 5.439 13.009 -10.213 1.00 74.40 H new ATOM 0 HG22 ILE A 72 6.713 14.119 -10.772 1.00 74.40 H new ATOM 0 HG23 ILE A 72 6.453 12.570 -11.608 1.00 74.40 H new ATOM 0 HD11 ILE A 72 6.775 9.059 -10.437 1.00 74.32 H new ATOM 0 HD12 ILE A 72 6.409 10.473 -11.453 1.00 74.32 H new ATOM 0 HD13 ILE A 72 8.099 10.057 -11.083 1.00 74.32 H new ATOM 846 N LYS A 73 10.091 14.484 -9.653 1.00 4.11 N ATOM 847 CA LYS A 73 10.528 15.870 -9.789 1.00 42.22 C ATOM 848 C LYS A 73 11.394 16.088 -11.028 1.00 2.32 C ATOM 849 O LYS A 73 11.602 17.223 -11.452 1.00 54.25 O ATOM 850 CB LYS A 73 11.255 16.338 -8.528 1.00 11.31 C ATOM 851 CG LYS A 73 10.317 16.999 -7.533 1.00 70.03 C ATOM 852 CD LYS A 73 9.687 18.231 -8.153 1.00 22.22 C ATOM 853 CE LYS A 73 8.338 18.562 -7.545 1.00 33.54 C ATOM 854 NZ LYS A 73 7.579 19.500 -8.412 1.00 21.41 N ATOM 0 H LYS A 73 10.471 13.999 -8.840 1.00 4.11 H new ATOM 0 HA LYS A 73 9.630 16.475 -9.918 1.00 42.22 H new ATOM 0 HB2 LYS A 73 11.741 15.485 -8.054 1.00 11.31 H new ATOM 0 HB3 LYS A 73 12.041 17.040 -8.804 1.00 11.31 H new ATOM 0 HG2 LYS A 73 9.540 16.296 -7.231 1.00 70.03 H new ATOM 0 HG3 LYS A 73 10.865 17.275 -6.632 1.00 70.03 H new ATOM 0 HD2 LYS A 73 10.358 19.081 -8.026 1.00 22.22 H new ATOM 0 HD3 LYS A 73 9.570 18.075 -9.225 1.00 22.22 H new ATOM 0 HE2 LYS A 73 7.764 17.646 -7.404 1.00 33.54 H new ATOM 0 HE3 LYS A 73 8.478 19.005 -6.559 1.00 33.54 H new ATOM 0 HZ1 LYS A 73 6.660 19.711 -7.974 1.00 21.41 H new ATOM 0 HZ2 LYS A 73 8.119 20.382 -8.526 1.00 21.41 H new ATOM 0 HZ3 LYS A 73 7.427 19.065 -9.344 1.00 21.41 H new ATOM 868 N THR A 74 11.894 15.008 -11.611 1.00 43.32 N ATOM 869 CA THR A 74 12.644 15.111 -12.854 1.00 4.23 C ATOM 870 C THR A 74 11.695 15.098 -14.054 1.00 53.11 C ATOM 871 O THR A 74 12.123 15.161 -15.204 1.00 64.41 O ATOM 872 CB THR A 74 13.690 13.983 -12.989 1.00 41.23 C ATOM 873 OG1 THR A 74 13.073 12.695 -12.845 1.00 11.21 O ATOM 874 CG2 THR A 74 14.786 14.142 -11.947 1.00 54.21 C ATOM 0 H THR A 74 11.796 14.060 -11.248 1.00 43.32 H new ATOM 0 HA THR A 74 13.181 16.059 -12.833 1.00 4.23 H new ATOM 0 HB THR A 74 14.130 14.054 -13.984 1.00 41.23 H new ATOM 0 HG1 THR A 74 12.844 12.545 -11.904 1.00 11.21 H new ATOM 0 HG21 THR A 74 15.513 13.338 -12.058 1.00 54.21 H new ATOM 0 HG22 THR A 74 15.283 15.102 -12.085 1.00 54.21 H new ATOM 0 HG23 THR A 74 14.349 14.100 -10.950 1.00 54.21 H new ATOM 882 N TYR A 75 10.399 15.030 -13.765 1.00 35.11 N ATOM 883 CA TYR A 75 9.367 15.023 -14.795 1.00 22.55 C ATOM 884 C TYR A 75 8.396 16.190 -14.592 1.00 51.12 C ATOM 885 O TYR A 75 7.989 16.849 -15.551 1.00 31.44 O ATOM 886 CB TYR A 75 8.609 13.688 -14.768 1.00 50.43 C ATOM 887 CG TYR A 75 7.463 13.598 -15.757 1.00 1.22 C ATOM 888 CD1 TYR A 75 7.685 13.233 -17.079 1.00 62.42 C ATOM 889 CD2 TYR A 75 6.158 13.876 -15.365 1.00 41.14 C ATOM 890 CE1 TYR A 75 6.640 13.144 -17.982 1.00 41.30 C ATOM 891 CE2 TYR A 75 5.109 13.791 -16.262 1.00 21.14 C ATOM 892 CZ TYR A 75 5.355 13.427 -17.568 1.00 72.41 C ATOM 893 OH TYR A 75 4.310 13.343 -18.466 1.00 62.14 O ATOM 0 H TYR A 75 10.036 14.978 -12.813 1.00 35.11 H new ATOM 0 HA TYR A 75 9.844 15.140 -15.768 1.00 22.55 H new ATOM 0 HB2 TYR A 75 9.312 12.881 -14.971 1.00 50.43 H new ATOM 0 HB3 TYR A 75 8.219 13.526 -13.763 1.00 50.43 H new ATOM 0 HD1 TYR A 75 8.690 13.015 -17.408 1.00 62.42 H new ATOM 0 HD2 TYR A 75 5.960 14.163 -14.343 1.00 41.14 H new ATOM 0 HE1 TYR A 75 6.830 12.855 -19.005 1.00 41.30 H new ATOM 0 HE2 TYR A 75 4.101 14.009 -15.940 1.00 21.14 H new ATOM 0 HH TYR A 75 3.471 13.573 -18.014 1.00 62.14 H new