USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 389 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 TYR N :NH3+ 153:sc= 0.447 (180deg=0.07) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -160:sc= -1.85! USER MOD Single : A 7 GLN : amide:sc=-0.00536 X(o=-0.0054,f=0) USER MOD Single : A 8 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.53) USER MOD Single : A 9 ASN : amide:sc= -4.17! C(o=-4.2!,f=-7.2!) USER MOD Single : A 13 SER OG : rot -100:sc= 0.05 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -2.74! K(o=-2.7!,f=-0.22) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0527 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.268! USER MOD Single : A 40 THR OG1 : rot -161:sc= -0.369! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.714 K(o=-0.71,f=-0.02) USER MOD Single : A 50 LYS NZ :NH3+ 167:sc= -2.08 (180deg=-2.56!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 21.848 -8.628 -3.623 1.00 13.20 N ATOM 2 CA TYR A 1 22.405 -7.268 -3.370 1.00 11.89 C ATOM 3 C TYR A 1 21.612 -6.592 -2.248 1.00 11.23 C ATOM 4 O TYR A 1 20.794 -5.728 -2.495 1.00 10.30 O ATOM 5 CB TYR A 1 22.321 -6.408 -4.631 1.00 11.11 C ATOM 6 CG TYR A 1 23.200 -7.023 -5.721 1.00 11.98 C ATOM 7 CD1 TYR A 1 24.561 -6.797 -5.734 1.00 11.61 C ATOM 8 CD2 TYR A 1 22.645 -7.813 -6.708 1.00 13.26 C ATOM 9 CE1 TYR A 1 25.355 -7.350 -6.717 1.00 12.52 C ATOM 10 CE2 TYR A 1 23.438 -8.368 -7.691 1.00 14.11 C ATOM 11 CZ TYR A 1 24.799 -8.140 -7.704 1.00 13.76 C ATOM 12 OH TYR A 1 25.593 -8.695 -8.687 1.00 14.71 O ATOM 0 H1 TYR A 1 22.033 -8.901 -4.609 1.00 13.20 H new ATOM 0 H2 TYR A 1 22.299 -9.313 -2.983 1.00 13.20 H new ATOM 0 H3 TYR A 1 20.822 -8.620 -3.453 1.00 13.20 H new ATOM 0 HA TYR A 1 23.451 -7.370 -3.081 1.00 11.89 H new ATOM 0 HB2 TYR A 1 21.288 -6.344 -4.973 1.00 11.11 H new ATOM 0 HB3 TYR A 1 22.648 -5.391 -4.414 1.00 11.11 H new ATOM 0 HD1 TYR A 1 25.009 -6.182 -4.968 1.00 11.61 H new ATOM 0 HD2 TYR A 1 21.581 -7.998 -6.711 1.00 13.26 H new ATOM 0 HE1 TYR A 1 26.419 -7.164 -6.715 1.00 12.52 H new ATOM 0 HE2 TYR A 1 22.990 -8.985 -8.456 1.00 14.11 H new ATOM 0 HH TYR A 1 25.037 -9.222 -9.298 1.00 14.71 H new ATOM 24 N ALA A 2 21.870 -7.002 -1.035 1.00 11.88 N ATOM 25 CA ALA A 2 21.138 -6.393 0.113 1.00 11.54 C ATOM 26 C ALA A 2 21.971 -6.511 1.395 1.00 12.10 C ATOM 27 O ALA A 2 22.924 -7.261 1.452 1.00 12.84 O ATOM 28 CB ALA A 2 19.808 -7.122 0.301 1.00 12.50 C ATOM 0 H ALA A 2 22.548 -7.724 -0.791 1.00 11.88 H new ATOM 0 HA ALA A 2 20.958 -5.338 -0.095 1.00 11.54 H new ATOM 0 HB1 ALA A 2 19.267 -6.682 1.139 1.00 12.50 H new ATOM 0 HB2 ALA A 2 19.210 -7.029 -0.606 1.00 12.50 H new ATOM 0 HB3 ALA A 2 19.996 -8.176 0.504 1.00 12.50 H new ATOM 34 N SER A 3 21.589 -5.765 2.395 1.00 11.92 N ATOM 35 CA SER A 3 22.343 -5.817 3.681 1.00 12.76 C ATOM 36 C SER A 3 21.381 -5.652 4.861 1.00 13.44 C ATOM 37 O SER A 3 20.301 -6.208 4.867 1.00 13.89 O ATOM 38 CB SER A 3 23.375 -4.689 3.701 1.00 11.92 C ATOM 39 OG SER A 3 24.319 -5.100 4.678 1.00 12.85 O ATOM 0 H SER A 3 20.794 -5.126 2.379 1.00 11.92 H new ATOM 0 HA SER A 3 22.845 -6.781 3.767 1.00 12.76 H new ATOM 0 HB2 SER A 3 23.842 -4.559 2.725 1.00 11.92 H new ATOM 0 HB3 SER A 3 22.918 -3.735 3.965 1.00 11.92 H new ATOM 0 HG SER A 3 24.830 -4.323 4.987 1.00 12.85 H new ATOM 45 N LEU A 4 21.794 -4.890 5.837 1.00 13.64 N ATOM 46 CA LEU A 4 20.912 -4.676 7.021 1.00 14.40 C ATOM 47 C LEU A 4 20.060 -3.419 6.820 1.00 13.22 C ATOM 48 O LEU A 4 19.179 -3.391 5.983 1.00 12.56 O ATOM 49 CB LEU A 4 21.778 -4.513 8.269 1.00 15.53 C ATOM 50 CG LEU A 4 22.930 -3.554 7.960 1.00 14.96 C ATOM 51 CD1 LEU A 4 23.221 -2.700 9.195 1.00 15.72 C ATOM 52 CD2 LEU A 4 24.178 -4.366 7.606 1.00 15.53 C ATOM 0 H LEU A 4 22.694 -4.411 5.867 1.00 13.64 H new ATOM 0 HA LEU A 4 20.252 -5.535 7.139 1.00 14.40 H new ATOM 0 HB2 LEU A 4 21.179 -4.127 9.094 1.00 15.53 H new ATOM 0 HB3 LEU A 4 22.169 -5.481 8.584 1.00 15.53 H new ATOM 0 HG LEU A 4 22.658 -2.910 7.124 1.00 14.96 H new ATOM 0 HD11 LEU A 4 24.041 -2.015 8.979 1.00 15.72 H new ATOM 0 HD12 LEU A 4 22.331 -2.128 9.460 1.00 15.72 H new ATOM 0 HD13 LEU A 4 23.498 -3.347 10.028 1.00 15.72 H new ATOM 0 HD21 LEU A 4 25.002 -3.688 7.385 1.00 15.53 H new ATOM 0 HD22 LEU A 4 24.448 -5.003 8.448 1.00 15.53 H new ATOM 0 HD23 LEU A 4 23.973 -4.986 6.733 1.00 15.53 H new ATOM 64 N GLU A 5 20.342 -2.406 7.592 1.00 13.07 N ATOM 65 CA GLU A 5 19.561 -1.142 7.457 1.00 12.01 C ATOM 66 C GLU A 5 20.310 -0.155 6.553 1.00 10.61 C ATOM 67 O GLU A 5 21.491 0.073 6.728 1.00 10.88 O ATOM 68 CB GLU A 5 19.368 -0.523 8.839 1.00 12.95 C ATOM 69 CG GLU A 5 18.599 -1.506 9.726 1.00 14.34 C ATOM 70 CD GLU A 5 18.563 -0.975 11.160 1.00 15.49 C ATOM 71 OE1 GLU A 5 18.844 0.203 11.307 1.00 15.33 O ATOM 72 OE2 GLU A 5 18.257 -1.776 12.026 1.00 16.54 O ATOM 0 H GLU A 5 21.072 -2.397 8.304 1.00 13.07 H new ATOM 0 HA GLU A 5 18.591 -1.363 7.012 1.00 12.01 H new ATOM 0 HB2 GLU A 5 20.335 -0.291 9.285 1.00 12.95 H new ATOM 0 HB3 GLU A 5 18.821 0.416 8.757 1.00 12.95 H new ATOM 0 HG2 GLU A 5 17.585 -1.636 9.349 1.00 14.34 H new ATOM 0 HG3 GLU A 5 19.076 -2.486 9.701 1.00 14.34 H new ATOM 79 N GLU A 6 19.603 0.405 5.604 1.00 9.33 N ATOM 80 CA GLU A 6 20.252 1.380 4.673 1.00 8.05 C ATOM 81 C GLU A 6 19.348 2.601 4.471 1.00 7.08 C ATOM 82 O GLU A 6 18.699 3.055 5.392 1.00 7.27 O ATOM 83 CB GLU A 6 20.495 0.695 3.326 1.00 7.38 C ATOM 84 CG GLU A 6 21.554 1.478 2.542 1.00 6.76 C ATOM 85 CD GLU A 6 22.908 0.782 2.688 1.00 7.88 C ATOM 86 OE1 GLU A 6 23.367 0.722 3.818 1.00 8.75 O ATOM 87 OE2 GLU A 6 23.408 0.349 1.662 1.00 7.92 O ATOM 0 H GLU A 6 18.612 0.232 5.434 1.00 9.33 H new ATOM 0 HA GLU A 6 21.199 1.711 5.100 1.00 8.05 H new ATOM 0 HB2 GLU A 6 20.827 -0.332 3.482 1.00 7.38 H new ATOM 0 HB3 GLU A 6 19.567 0.647 2.757 1.00 7.38 H new ATOM 0 HG2 GLU A 6 21.274 1.537 1.490 1.00 6.76 H new ATOM 0 HG3 GLU A 6 21.616 2.501 2.914 1.00 6.76 H new ATOM 94 N GLN A 7 19.325 3.103 3.266 1.00 6.24 N ATOM 95 CA GLN A 7 18.472 4.297 2.984 1.00 5.44 C ATOM 96 C GLN A 7 17.141 3.862 2.360 1.00 4.60 C ATOM 97 O GLN A 7 16.297 4.684 2.063 1.00 3.66 O ATOM 98 CB GLN A 7 19.210 5.218 2.014 1.00 5.45 C ATOM 99 CG GLN A 7 19.126 6.658 2.526 1.00 5.46 C ATOM 100 CD GLN A 7 19.723 7.603 1.482 1.00 5.58 C ATOM 101 OE1 GLN A 7 20.735 8.237 1.710 1.00 6.76 O ATOM 102 NE2 GLN A 7 19.131 7.727 0.327 1.00 4.63 N ATOM 0 H GLN A 7 19.853 2.744 2.471 1.00 6.24 H new ATOM 0 HA GLN A 7 18.269 4.822 3.917 1.00 5.44 H new ATOM 0 HB2 GLN A 7 20.252 4.911 1.924 1.00 5.45 H new ATOM 0 HB3 GLN A 7 18.770 5.147 1.019 1.00 5.45 H new ATOM 0 HG2 GLN A 7 18.088 6.926 2.724 1.00 5.46 H new ATOM 0 HG3 GLN A 7 19.665 6.753 3.469 1.00 5.46 H new ATOM 0 HE21 GLN A 7 18.282 7.198 0.130 1.00 4.63 H new ATOM 0 HE22 GLN A 7 19.517 8.353 -0.379 1.00 4.63 H new ATOM 111 N ASN A 8 16.982 2.580 2.178 1.00 5.23 N ATOM 112 CA ASN A 8 15.712 2.080 1.575 1.00 4.85 C ATOM 113 C ASN A 8 15.493 0.609 1.946 1.00 6.20 C ATOM 114 O ASN A 8 16.403 -0.192 1.883 1.00 7.40 O ATOM 115 CB ASN A 8 15.793 2.215 0.056 1.00 4.67 C ATOM 116 CG ASN A 8 16.353 0.922 -0.539 1.00 6.11 C ATOM 117 OD1 ASN A 8 17.524 0.625 -0.413 1.00 7.09 O ATOM 118 ND2 ASN A 8 15.551 0.127 -1.193 1.00 6.52 N ATOM 0 H ASN A 8 17.667 1.863 2.417 1.00 5.23 H new ATOM 0 HA ASN A 8 14.877 2.668 1.957 1.00 4.85 H new ATOM 0 HB2 ASN A 8 14.805 2.420 -0.355 1.00 4.67 H new ATOM 0 HB3 ASN A 8 16.430 3.058 -0.212 1.00 4.67 H new ATOM 0 HD21 ASN A 8 15.908 -0.739 -1.596 1.00 6.52 H new ATOM 0 HD22 ASN A 8 14.567 0.372 -1.302 1.00 6.52 H new ATOM 125 N ASN A 9 14.286 0.289 2.324 1.00 6.07 N ATOM 126 CA ASN A 9 13.985 -1.123 2.702 1.00 7.37 C ATOM 127 C ASN A 9 12.480 -1.389 2.584 1.00 7.13 C ATOM 128 O ASN A 9 11.959 -1.543 1.497 1.00 6.79 O ATOM 129 CB ASN A 9 14.436 -1.362 4.143 1.00 8.29 C ATOM 130 CG ASN A 9 15.965 -1.351 4.204 1.00 9.06 C ATOM 131 OD1 ASN A 9 16.589 -0.309 4.243 1.00 8.67 O ATOM 132 ND2 ASN A 9 16.605 -2.487 4.215 1.00 10.32 N ATOM 0 H ASN A 9 13.501 0.937 2.388 1.00 6.07 H new ATOM 0 HA ASN A 9 14.516 -1.798 2.031 1.00 7.37 H new ATOM 0 HB2 ASN A 9 14.029 -0.590 4.796 1.00 8.29 H new ATOM 0 HB3 ASN A 9 14.053 -2.317 4.502 1.00 8.29 H new ATOM 0 HD21 ASN A 9 17.624 -2.498 4.256 1.00 10.32 H new ATOM 0 HD22 ASN A 9 16.087 -3.365 4.182 1.00 10.32 H new ATOM 139 N ASP A 10 11.817 -1.438 3.710 1.00 7.54 N ATOM 140 CA ASP A 10 10.344 -1.690 3.691 1.00 7.41 C ATOM 141 C ASP A 10 9.582 -0.381 3.927 1.00 6.27 C ATOM 142 O ASP A 10 9.590 0.155 5.017 1.00 6.37 O ATOM 143 CB ASP A 10 9.994 -2.686 4.796 1.00 8.80 C ATOM 144 CG ASP A 10 8.543 -2.470 5.231 1.00 8.74 C ATOM 145 OD1 ASP A 10 8.352 -1.606 6.069 1.00 8.60 O ATOM 146 OD2 ASP A 10 7.707 -3.182 4.698 1.00 9.08 O ATOM 0 H ASP A 10 12.227 -1.316 4.636 1.00 7.54 H new ATOM 0 HA ASP A 10 10.061 -2.095 2.719 1.00 7.41 H new ATOM 0 HB2 ASP A 10 10.130 -3.706 4.438 1.00 8.80 H new ATOM 0 HB3 ASP A 10 10.664 -2.554 5.646 1.00 8.80 H new ATOM 151 N ALA A 11 8.940 0.105 2.897 1.00 5.36 N ATOM 152 CA ALA A 11 8.174 1.377 3.044 1.00 4.31 C ATOM 153 C ALA A 11 6.878 1.313 2.228 1.00 3.27 C ATOM 154 O ALA A 11 5.845 0.917 2.731 1.00 2.91 O ATOM 155 CB ALA A 11 9.033 2.538 2.545 1.00 4.10 C ATOM 0 H ALA A 11 8.913 -0.319 1.970 1.00 5.36 H new ATOM 0 HA ALA A 11 7.922 1.524 4.094 1.00 4.31 H new ATOM 0 HB1 ALA A 11 8.480 3.471 2.649 1.00 4.10 H new ATOM 0 HB2 ALA A 11 9.949 2.592 3.133 1.00 4.10 H new ATOM 0 HB3 ALA A 11 9.284 2.380 1.496 1.00 4.10 H new ATOM 161 N LEU A 12 6.960 1.704 0.986 1.00 3.10 N ATOM 162 CA LEU A 12 5.739 1.672 0.127 1.00 2.12 C ATOM 163 C LEU A 12 5.668 0.352 -0.646 1.00 1.92 C ATOM 164 O LEU A 12 6.629 -0.390 -0.704 1.00 2.59 O ATOM 165 CB LEU A 12 5.787 2.836 -0.861 1.00 2.49 C ATOM 166 CG LEU A 12 5.485 4.138 -0.116 1.00 2.82 C ATOM 167 CD1 LEU A 12 6.290 5.277 -0.743 1.00 4.08 C ATOM 168 CD2 LEU A 12 3.991 4.450 -0.235 1.00 2.11 C ATOM 0 H LEU A 12 7.809 2.041 0.531 1.00 3.10 H new ATOM 0 HA LEU A 12 4.856 1.758 0.761 1.00 2.12 H new ATOM 0 HB2 LEU A 12 6.769 2.891 -1.330 1.00 2.49 H new ATOM 0 HB3 LEU A 12 5.061 2.682 -1.659 1.00 2.49 H new ATOM 0 HG LEU A 12 5.757 4.033 0.934 1.00 2.82 H new ATOM 0 HD11 LEU A 12 6.077 6.206 -0.215 1.00 4.08 H new ATOM 0 HD12 LEU A 12 7.354 5.053 -0.670 1.00 4.08 H new ATOM 0 HD13 LEU A 12 6.013 5.384 -1.792 1.00 4.08 H new ATOM 0 HD21 LEU A 12 3.770 5.377 0.294 1.00 2.11 H new ATOM 0 HD22 LEU A 12 3.725 4.560 -1.286 1.00 2.11 H new ATOM 0 HD23 LEU A 12 3.413 3.636 0.202 1.00 2.11 H new ATOM 180 N SER A 13 4.524 0.094 -1.223 1.00 1.20 N ATOM 181 CA SER A 13 4.349 -1.167 -2.003 1.00 1.45 C ATOM 182 C SER A 13 4.277 -0.843 -3.524 1.00 0.94 C ATOM 183 O SER A 13 3.249 -0.407 -3.999 1.00 0.69 O ATOM 184 CB SER A 13 3.034 -1.816 -1.575 1.00 1.75 C ATOM 185 OG SER A 13 2.379 -0.807 -0.820 1.00 2.65 O ATOM 0 H SER A 13 3.705 0.700 -1.188 1.00 1.20 H new ATOM 0 HA SER A 13 5.190 -1.835 -1.817 1.00 1.45 H new ATOM 0 HB2 SER A 13 2.439 -2.118 -2.437 1.00 1.75 H new ATOM 0 HB3 SER A 13 3.207 -2.711 -0.978 1.00 1.75 H new ATOM 0 HG SER A 13 2.501 -0.983 0.136 1.00 2.65 H new ATOM 191 N PRO A 14 5.366 -1.059 -4.269 1.00 0.85 N ATOM 192 CA PRO A 14 5.362 -0.759 -5.708 1.00 0.58 C ATOM 193 C PRO A 14 4.275 -1.567 -6.424 1.00 0.20 C ATOM 194 O PRO A 14 4.006 -1.357 -7.590 1.00 0.67 O ATOM 195 CB PRO A 14 6.756 -1.152 -6.212 1.00 0.77 C ATOM 196 CG PRO A 14 7.591 -1.589 -4.971 1.00 0.97 C ATOM 197 CD PRO A 14 6.639 -1.611 -3.762 1.00 1.16 C ATOM 0 HA PRO A 14 5.147 0.292 -5.903 1.00 0.58 H new ATOM 0 HB2 PRO A 14 6.688 -1.965 -6.935 1.00 0.77 H new ATOM 0 HB3 PRO A 14 7.232 -0.313 -6.719 1.00 0.77 H new ATOM 0 HG2 PRO A 14 8.031 -2.573 -5.131 1.00 0.97 H new ATOM 0 HG3 PRO A 14 8.415 -0.896 -4.799 1.00 0.97 H new ATOM 0 HD2 PRO A 14 6.507 -2.624 -3.382 1.00 1.16 H new ATOM 0 HD3 PRO A 14 7.030 -1.011 -2.940 1.00 1.16 H new ATOM 205 N ALA A 15 3.671 -2.474 -5.701 1.00 0.27 N ATOM 206 CA ALA A 15 2.589 -3.304 -6.310 1.00 0.59 C ATOM 207 C ALA A 15 1.220 -2.765 -5.880 1.00 0.60 C ATOM 208 O ALA A 15 0.209 -3.415 -6.058 1.00 0.66 O ATOM 209 CB ALA A 15 2.740 -4.749 -5.835 1.00 0.97 C ATOM 0 H ALA A 15 3.878 -2.675 -4.723 1.00 0.27 H new ATOM 0 HA ALA A 15 2.665 -3.263 -7.397 1.00 0.59 H new ATOM 0 HB1 ALA A 15 1.953 -5.361 -6.276 1.00 0.97 H new ATOM 0 HB2 ALA A 15 3.713 -5.133 -6.142 1.00 0.97 H new ATOM 0 HB3 ALA A 15 2.662 -4.785 -4.748 1.00 0.97 H new ATOM 215 N ILE A 16 1.221 -1.582 -5.324 1.00 0.57 N ATOM 216 CA ILE A 16 -0.069 -0.979 -4.873 1.00 0.59 C ATOM 217 C ILE A 16 -1.017 -0.799 -6.062 1.00 0.67 C ATOM 218 O ILE A 16 -2.223 -0.811 -5.905 1.00 0.68 O ATOM 219 CB ILE A 16 0.210 0.382 -4.231 1.00 0.54 C ATOM 220 CG1 ILE A 16 -1.036 0.839 -3.469 1.00 0.56 C ATOM 221 CG2 ILE A 16 0.536 1.400 -5.324 1.00 0.57 C ATOM 222 CD1 ILE A 16 -0.776 2.218 -2.861 1.00 0.51 C ATOM 0 H ILE A 16 2.051 -1.011 -5.163 1.00 0.57 H new ATOM 0 HA ILE A 16 -0.539 -1.643 -4.148 1.00 0.59 H new ATOM 0 HB ILE A 16 1.054 0.301 -3.545 1.00 0.54 H new ATOM 0 HG12 ILE A 16 -1.893 0.880 -4.141 1.00 0.56 H new ATOM 0 HG13 ILE A 16 -1.280 0.123 -2.685 1.00 0.56 H new ATOM 0 HG21 ILE A 16 0.735 2.371 -4.870 1.00 0.57 H new ATOM 0 HG22 ILE A 16 1.416 1.071 -5.877 1.00 0.57 H new ATOM 0 HG23 ILE A 16 -0.310 1.485 -6.006 1.00 0.57 H new ATOM 0 HD11 ILE A 16 -1.661 2.548 -2.317 1.00 0.51 H new ATOM 0 HD12 ILE A 16 0.070 2.160 -2.177 1.00 0.51 H new ATOM 0 HD13 ILE A 16 -0.552 2.930 -3.656 1.00 0.51 H new ATOM 234 N ARG A 17 -0.454 -0.637 -7.228 1.00 0.76 N ATOM 235 CA ARG A 17 -1.312 -0.452 -8.436 1.00 0.86 C ATOM 236 C ARG A 17 -1.891 -1.797 -8.889 1.00 0.91 C ATOM 237 O ARG A 17 -2.994 -1.863 -9.393 1.00 1.07 O ATOM 238 CB ARG A 17 -0.467 0.144 -9.562 1.00 0.90 C ATOM 239 CG ARG A 17 0.067 1.508 -9.123 1.00 0.74 C ATOM 240 CD ARG A 17 1.558 1.595 -9.458 1.00 0.99 C ATOM 241 NE ARG A 17 1.738 1.393 -10.924 1.00 1.60 N ATOM 242 CZ ARG A 17 1.819 2.431 -11.709 1.00 1.79 C ATOM 243 NH1 ARG A 17 1.329 3.570 -11.300 1.00 1.42 N ATOM 244 NH2 ARG A 17 2.387 2.296 -12.876 1.00 2.80 N ATOM 0 H ARG A 17 0.552 -0.624 -7.398 1.00 0.76 H new ATOM 0 HA ARG A 17 -2.135 0.219 -8.191 1.00 0.86 H new ATOM 0 HB2 ARG A 17 0.360 -0.523 -9.804 1.00 0.90 H new ATOM 0 HB3 ARG A 17 -1.067 0.249 -10.466 1.00 0.90 H new ATOM 0 HG2 ARG A 17 -0.479 2.305 -9.628 1.00 0.74 H new ATOM 0 HG3 ARG A 17 -0.086 1.645 -8.053 1.00 0.74 H new ATOM 0 HD2 ARG A 17 1.955 2.565 -9.160 1.00 0.99 H new ATOM 0 HD3 ARG A 17 2.113 0.839 -8.903 1.00 0.99 H new ATOM 0 HE ARG A 17 1.797 0.451 -11.310 1.00 1.60 H new ATOM 0 HH11 ARG A 17 0.892 3.637 -10.381 1.00 1.42 H new ATOM 0 HH12 ARG A 17 1.383 4.393 -11.900 1.00 1.42 H new ATOM 0 HH21 ARG A 17 2.758 1.390 -13.161 1.00 2.80 H new ATOM 0 HH22 ARG A 17 2.459 3.097 -13.504 1.00 2.80 H new ATOM 258 N ARG A 18 -1.132 -2.841 -8.699 1.00 0.81 N ATOM 259 CA ARG A 18 -1.622 -4.188 -9.117 1.00 0.86 C ATOM 260 C ARG A 18 -2.320 -4.889 -7.946 1.00 0.80 C ATOM 261 O ARG A 18 -2.848 -5.973 -8.095 1.00 0.86 O ATOM 262 CB ARG A 18 -0.432 -5.030 -9.576 1.00 0.89 C ATOM 263 CG ARG A 18 0.262 -4.320 -10.741 1.00 0.94 C ATOM 264 CD ARG A 18 0.154 -5.192 -11.994 1.00 1.58 C ATOM 265 NE ARG A 18 0.900 -4.536 -13.105 1.00 2.20 N ATOM 266 CZ ARG A 18 0.304 -4.341 -14.249 1.00 3.52 C ATOM 267 NH1 ARG A 18 0.176 -5.345 -15.073 1.00 3.86 N ATOM 268 NH2 ARG A 18 -0.145 -3.149 -14.532 1.00 4.68 N ATOM 0 H ARG A 18 -0.203 -2.823 -8.277 1.00 0.81 H new ATOM 0 HA ARG A 18 -2.336 -4.072 -9.932 1.00 0.86 H new ATOM 0 HB2 ARG A 18 0.267 -5.174 -8.752 1.00 0.89 H new ATOM 0 HB3 ARG A 18 -0.768 -6.020 -9.885 1.00 0.89 H new ATOM 0 HG2 ARG A 18 -0.199 -3.348 -10.918 1.00 0.94 H new ATOM 0 HG3 ARG A 18 1.309 -4.136 -10.500 1.00 0.94 H new ATOM 0 HD2 ARG A 18 0.563 -6.184 -11.799 1.00 1.58 H new ATOM 0 HD3 ARG A 18 -0.892 -5.327 -12.270 1.00 1.58 H new ATOM 0 HE ARG A 18 1.868 -4.242 -12.972 1.00 2.20 H new ATOM 0 HH11 ARG A 18 0.539 -6.263 -14.818 1.00 3.86 H new ATOM 0 HH12 ARG A 18 -0.287 -5.211 -15.972 1.00 3.86 H new ATOM 0 HH21 ARG A 18 -0.027 -2.388 -13.863 1.00 4.68 H new ATOM 0 HH22 ARG A 18 -0.614 -2.978 -15.422 1.00 4.68 H new ATOM 282 N LEU A 19 -2.308 -4.256 -6.807 1.00 0.68 N ATOM 283 CA LEU A 19 -2.968 -4.874 -5.620 1.00 0.61 C ATOM 284 C LEU A 19 -4.464 -5.067 -5.888 1.00 0.54 C ATOM 285 O LEU A 19 -4.997 -6.142 -5.701 1.00 0.52 O ATOM 286 CB LEU A 19 -2.778 -3.961 -4.411 1.00 0.70 C ATOM 287 CG LEU A 19 -3.045 -4.756 -3.133 1.00 0.59 C ATOM 288 CD1 LEU A 19 -1.720 -5.293 -2.591 1.00 0.66 C ATOM 289 CD2 LEU A 19 -3.680 -3.835 -2.090 1.00 0.67 C ATOM 0 H LEU A 19 -1.875 -3.347 -6.645 1.00 0.68 H new ATOM 0 HA LEU A 19 -2.518 -5.847 -5.424 1.00 0.61 H new ATOM 0 HB2 LEU A 19 -1.764 -3.560 -4.399 1.00 0.70 H new ATOM 0 HB3 LEU A 19 -3.457 -3.110 -4.473 1.00 0.70 H new ATOM 0 HG LEU A 19 -3.719 -5.585 -3.349 1.00 0.59 H new ATOM 0 HD11 LEU A 19 -1.903 -5.861 -1.679 1.00 0.66 H new ATOM 0 HD12 LEU A 19 -1.258 -5.941 -3.336 1.00 0.66 H new ATOM 0 HD13 LEU A 19 -1.052 -4.460 -2.371 1.00 0.66 H new ATOM 0 HD21 LEU A 19 -3.872 -4.398 -1.177 1.00 0.67 H new ATOM 0 HD22 LEU A 19 -3.002 -3.010 -1.872 1.00 0.67 H new ATOM 0 HD23 LEU A 19 -4.619 -3.440 -2.477 1.00 0.67 H new ATOM 301 N LEU A 20 -5.109 -4.018 -6.321 1.00 0.64 N ATOM 302 CA LEU A 20 -6.570 -4.125 -6.609 1.00 0.60 C ATOM 303 C LEU A 20 -6.838 -5.315 -7.534 1.00 0.51 C ATOM 304 O LEU A 20 -7.868 -5.954 -7.447 1.00 0.53 O ATOM 305 CB LEU A 20 -7.043 -2.838 -7.283 1.00 0.71 C ATOM 306 CG LEU A 20 -7.057 -1.707 -6.253 1.00 0.83 C ATOM 307 CD1 LEU A 20 -6.774 -0.379 -6.959 1.00 0.94 C ATOM 308 CD2 LEU A 20 -8.437 -1.642 -5.593 1.00 0.91 C ATOM 0 H LEU A 20 -4.695 -3.101 -6.487 1.00 0.64 H new ATOM 0 HA LEU A 20 -7.111 -4.275 -5.675 1.00 0.60 H new ATOM 0 HB2 LEU A 20 -6.382 -2.583 -8.112 1.00 0.71 H new ATOM 0 HB3 LEU A 20 -8.040 -2.977 -7.701 1.00 0.71 H new ATOM 0 HG LEU A 20 -6.295 -1.891 -5.495 1.00 0.83 H new ATOM 0 HD11 LEU A 20 -6.783 0.430 -6.229 1.00 0.94 H new ATOM 0 HD12 LEU A 20 -5.797 -0.423 -7.440 1.00 0.94 H new ATOM 0 HD13 LEU A 20 -7.541 -0.197 -7.712 1.00 0.94 H new ATOM 0 HD21 LEU A 20 -8.451 -0.837 -4.858 1.00 0.91 H new ATOM 0 HD22 LEU A 20 -9.195 -1.453 -6.353 1.00 0.91 H new ATOM 0 HD23 LEU A 20 -8.648 -2.590 -5.097 1.00 0.91 H new ATOM 320 N ALA A 21 -5.903 -5.586 -8.403 1.00 0.46 N ATOM 321 CA ALA A 21 -6.084 -6.732 -9.341 1.00 0.46 C ATOM 322 C ALA A 21 -5.551 -8.020 -8.705 1.00 0.33 C ATOM 323 O ALA A 21 -5.874 -9.109 -9.137 1.00 0.46 O ATOM 324 CB ALA A 21 -5.320 -6.446 -10.633 1.00 0.56 C ATOM 0 H ALA A 21 -5.029 -5.070 -8.505 1.00 0.46 H new ATOM 0 HA ALA A 21 -7.145 -6.857 -9.558 1.00 0.46 H new ATOM 0 HB1 ALA A 21 -5.448 -7.280 -11.323 1.00 0.56 H new ATOM 0 HB2 ALA A 21 -5.706 -5.534 -11.089 1.00 0.56 H new ATOM 0 HB3 ALA A 21 -4.261 -6.320 -10.409 1.00 0.56 H new ATOM 330 N GLU A 22 -4.745 -7.864 -7.691 1.00 0.37 N ATOM 331 CA GLU A 22 -4.182 -9.068 -7.012 1.00 0.63 C ATOM 332 C GLU A 22 -5.277 -9.776 -6.207 1.00 0.64 C ATOM 333 O GLU A 22 -5.376 -10.988 -6.224 1.00 0.78 O ATOM 334 CB GLU A 22 -3.060 -8.632 -6.070 1.00 0.84 C ATOM 335 CG GLU A 22 -2.334 -9.871 -5.544 1.00 1.13 C ATOM 336 CD GLU A 22 -0.913 -9.904 -6.110 1.00 1.44 C ATOM 337 OE1 GLU A 22 -0.773 -10.460 -7.187 1.00 1.54 O ATOM 338 OE2 GLU A 22 -0.048 -9.370 -5.435 1.00 2.38 O ATOM 0 H GLU A 22 -4.454 -6.966 -7.306 1.00 0.37 H new ATOM 0 HA GLU A 22 -3.791 -9.756 -7.762 1.00 0.63 H new ATOM 0 HB2 GLU A 22 -2.360 -7.982 -6.595 1.00 0.84 H new ATOM 0 HB3 GLU A 22 -3.469 -8.056 -5.240 1.00 0.84 H new ATOM 0 HG2 GLU A 22 -2.303 -9.853 -4.455 1.00 1.13 H new ATOM 0 HG3 GLU A 22 -2.874 -10.773 -5.833 1.00 1.13 H new ATOM 345 N HIS A 23 -6.077 -9.000 -5.524 1.00 0.58 N ATOM 346 CA HIS A 23 -7.176 -9.601 -4.708 1.00 0.68 C ATOM 347 C HIS A 23 -8.524 -9.415 -5.414 1.00 0.73 C ATOM 348 O HIS A 23 -9.556 -9.790 -4.893 1.00 0.86 O ATOM 349 CB HIS A 23 -7.218 -8.912 -3.345 1.00 0.61 C ATOM 350 CG HIS A 23 -5.826 -8.963 -2.711 1.00 0.65 C ATOM 351 ND1 HIS A 23 -5.161 -10.008 -2.523 1.00 0.71 N ATOM 352 CD2 HIS A 23 -5.037 -7.936 -2.231 1.00 0.67 C ATOM 353 CE1 HIS A 23 -4.042 -9.751 -1.978 1.00 0.75 C ATOM 354 NE2 HIS A 23 -3.875 -8.450 -1.755 1.00 0.74 N ATOM 0 H HIS A 23 -6.019 -7.982 -5.495 1.00 0.58 H new ATOM 0 HA HIS A 23 -6.988 -10.667 -4.583 1.00 0.68 H new ATOM 0 HB2 HIS A 23 -7.542 -7.877 -3.457 1.00 0.61 H new ATOM 0 HB3 HIS A 23 -7.944 -9.404 -2.698 1.00 0.61 H new ATOM 0 HD2 HIS A 23 -5.303 -6.889 -2.234 1.00 0.67 H new ATOM 0 HE1 HIS A 23 -3.310 -10.503 -1.725 1.00 0.75 H new ATOM 0 HE2 HIS A 23 -3.081 -7.966 -1.336 1.00 0.74 H new ATOM 362 N ASN A 24 -8.486 -8.839 -6.584 1.00 0.69 N ATOM 363 CA ASN A 24 -9.757 -8.622 -7.335 1.00 0.88 C ATOM 364 C ASN A 24 -10.755 -7.840 -6.475 1.00 0.81 C ATOM 365 O ASN A 24 -11.729 -8.388 -5.999 1.00 1.05 O ATOM 366 CB ASN A 24 -10.356 -9.978 -7.703 1.00 1.16 C ATOM 367 CG ASN A 24 -11.494 -9.772 -8.705 1.00 1.26 C ATOM 368 OD1 ASN A 24 -12.098 -10.714 -9.178 1.00 2.00 O ATOM 369 ND2 ASN A 24 -11.818 -8.557 -9.054 1.00 1.87 N ATOM 0 H ASN A 24 -7.640 -8.512 -7.050 1.00 0.69 H new ATOM 0 HA ASN A 24 -9.547 -8.049 -8.238 1.00 0.88 H new ATOM 0 HB2 ASN A 24 -9.589 -10.623 -8.133 1.00 1.16 H new ATOM 0 HB3 ASN A 24 -10.729 -10.479 -6.809 1.00 1.16 H new ATOM 0 HD21 ASN A 24 -12.575 -8.402 -9.720 1.00 1.87 H new ATOM 0 HD22 ASN A 24 -11.315 -7.762 -8.660 1.00 1.87 H new ATOM 376 N LEU A 25 -10.489 -6.573 -6.297 1.00 0.55 N ATOM 377 CA LEU A 25 -11.410 -5.735 -5.471 1.00 0.48 C ATOM 378 C LEU A 25 -11.561 -4.345 -6.097 1.00 0.47 C ATOM 379 O LEU A 25 -10.613 -3.787 -6.614 1.00 0.56 O ATOM 380 CB LEU A 25 -10.833 -5.597 -4.060 1.00 0.51 C ATOM 381 CG LEU A 25 -11.355 -6.740 -3.182 1.00 0.62 C ATOM 382 CD1 LEU A 25 -10.336 -7.027 -2.076 1.00 0.77 C ATOM 383 CD2 LEU A 25 -12.682 -6.324 -2.545 1.00 0.50 C ATOM 0 H LEU A 25 -9.681 -6.084 -6.684 1.00 0.55 H new ATOM 0 HA LEU A 25 -12.389 -6.213 -5.428 1.00 0.48 H new ATOM 0 HB2 LEU A 25 -9.744 -5.620 -4.097 1.00 0.51 H new ATOM 0 HB3 LEU A 25 -11.117 -4.636 -3.632 1.00 0.51 H new ATOM 0 HG LEU A 25 -11.504 -7.632 -3.790 1.00 0.62 H new ATOM 0 HD11 LEU A 25 -10.701 -7.839 -1.447 1.00 0.77 H new ATOM 0 HD12 LEU A 25 -9.384 -7.314 -2.524 1.00 0.77 H new ATOM 0 HD13 LEU A 25 -10.197 -6.133 -1.469 1.00 0.77 H new ATOM 0 HD21 LEU A 25 -13.056 -7.135 -1.920 1.00 0.50 H new ATOM 0 HD22 LEU A 25 -12.529 -5.435 -1.933 1.00 0.50 H new ATOM 0 HD23 LEU A 25 -13.408 -6.105 -3.328 1.00 0.50 H new ATOM 395 N ASP A 26 -12.752 -3.814 -6.036 1.00 0.38 N ATOM 396 CA ASP A 26 -12.983 -2.460 -6.622 1.00 0.40 C ATOM 397 C ASP A 26 -12.749 -1.378 -5.564 1.00 0.40 C ATOM 398 O ASP A 26 -13.378 -1.376 -4.524 1.00 0.46 O ATOM 399 CB ASP A 26 -14.421 -2.375 -7.130 1.00 0.42 C ATOM 400 CG ASP A 26 -14.890 -3.767 -7.554 1.00 1.22 C ATOM 401 OD1 ASP A 26 -14.033 -4.518 -7.990 1.00 1.93 O ATOM 402 OD2 ASP A 26 -16.080 -4.001 -7.419 1.00 1.79 O ATOM 0 H ASP A 26 -13.569 -4.253 -5.610 1.00 0.38 H new ATOM 0 HA ASP A 26 -12.287 -2.301 -7.446 1.00 0.40 H new ATOM 0 HB2 ASP A 26 -15.072 -1.981 -6.349 1.00 0.42 H new ATOM 0 HB3 ASP A 26 -14.481 -1.686 -7.973 1.00 0.42 H new ATOM 407 N ALA A 27 -11.848 -0.480 -5.852 1.00 0.34 N ATOM 408 CA ALA A 27 -11.560 0.610 -4.874 1.00 0.32 C ATOM 409 C ALA A 27 -12.701 1.633 -4.875 1.00 0.36 C ATOM 410 O ALA A 27 -12.849 2.404 -3.947 1.00 0.33 O ATOM 411 CB ALA A 27 -10.256 1.302 -5.265 1.00 0.40 C ATOM 0 H ALA A 27 -11.302 -0.452 -6.713 1.00 0.34 H new ATOM 0 HA ALA A 27 -11.468 0.183 -3.875 1.00 0.32 H new ATOM 0 HB1 ALA A 27 -10.040 2.100 -4.554 1.00 0.40 H new ATOM 0 HB2 ALA A 27 -9.442 0.577 -5.255 1.00 0.40 H new ATOM 0 HB3 ALA A 27 -10.354 1.724 -6.265 1.00 0.40 H new ATOM 417 N SER A 28 -13.484 1.620 -5.920 1.00 0.45 N ATOM 418 CA SER A 28 -14.619 2.584 -5.996 1.00 0.56 C ATOM 419 C SER A 28 -15.398 2.584 -4.679 1.00 0.54 C ATOM 420 O SER A 28 -15.965 3.586 -4.288 1.00 0.68 O ATOM 421 CB SER A 28 -15.548 2.176 -7.138 1.00 0.53 C ATOM 422 OG SER A 28 -16.449 1.254 -6.541 1.00 1.32 O ATOM 0 H SER A 28 -13.389 0.990 -6.717 1.00 0.45 H new ATOM 0 HA SER A 28 -14.229 3.586 -6.176 1.00 0.56 H new ATOM 0 HB2 SER A 28 -16.074 3.037 -7.550 1.00 0.53 H new ATOM 0 HB3 SER A 28 -14.994 1.718 -7.958 1.00 0.53 H new ATOM 0 HG SER A 28 -17.089 0.940 -7.213 1.00 1.32 H new ATOM 428 N ALA A 29 -15.408 1.457 -4.021 1.00 0.41 N ATOM 429 CA ALA A 29 -16.142 1.370 -2.726 1.00 0.49 C ATOM 430 C ALA A 29 -15.231 1.811 -1.575 1.00 0.54 C ATOM 431 O ALA A 29 -15.699 2.246 -0.541 1.00 0.64 O ATOM 432 CB ALA A 29 -16.586 -0.074 -2.500 1.00 0.43 C ATOM 0 H ALA A 29 -14.944 0.599 -4.320 1.00 0.41 H new ATOM 0 HA ALA A 29 -17.012 2.025 -2.759 1.00 0.49 H new ATOM 0 HB1 ALA A 29 -17.124 -0.146 -1.555 1.00 0.43 H new ATOM 0 HB2 ALA A 29 -17.241 -0.385 -3.314 1.00 0.43 H new ATOM 0 HB3 ALA A 29 -15.711 -0.723 -2.470 1.00 0.43 H new ATOM 438 N ILE A 30 -13.948 1.688 -1.782 1.00 0.50 N ATOM 439 CA ILE A 30 -12.990 2.097 -0.711 1.00 0.57 C ATOM 440 C ILE A 30 -12.585 3.562 -0.900 1.00 0.86 C ATOM 441 O ILE A 30 -11.957 3.913 -1.879 1.00 1.26 O ATOM 442 CB ILE A 30 -11.740 1.208 -0.792 1.00 0.37 C ATOM 443 CG1 ILE A 30 -12.162 -0.276 -0.802 1.00 0.11 C ATOM 444 CG2 ILE A 30 -10.819 1.489 0.412 1.00 0.43 C ATOM 445 CD1 ILE A 30 -13.081 -0.571 0.391 1.00 0.38 C ATOM 0 H ILE A 30 -13.523 1.326 -2.636 1.00 0.50 H new ATOM 0 HA ILE A 30 -13.467 1.984 0.263 1.00 0.57 H new ATOM 0 HB ILE A 30 -11.196 1.431 -1.710 1.00 0.37 H new ATOM 0 HG12 ILE A 30 -12.677 -0.509 -1.734 1.00 0.11 H new ATOM 0 HG13 ILE A 30 -11.279 -0.914 -0.757 1.00 0.11 H new ATOM 0 HG21 ILE A 30 -9.934 0.855 0.349 1.00 0.43 H new ATOM 0 HG22 ILE A 30 -10.517 2.536 0.402 1.00 0.43 H new ATOM 0 HG23 ILE A 30 -11.354 1.274 1.337 1.00 0.43 H new ATOM 0 HD11 ILE A 30 -13.373 -1.621 0.374 1.00 0.38 H new ATOM 0 HD12 ILE A 30 -12.552 -0.356 1.320 1.00 0.38 H new ATOM 0 HD13 ILE A 30 -13.972 0.054 0.328 1.00 0.38 H new ATOM 457 N LYS A 31 -12.953 4.386 0.042 1.00 0.89 N ATOM 458 CA LYS A 31 -12.594 5.831 -0.067 1.00 1.13 C ATOM 459 C LYS A 31 -11.074 6.000 0.000 1.00 1.16 C ATOM 460 O LYS A 31 -10.379 5.167 0.548 1.00 1.34 O ATOM 461 CB LYS A 31 -13.245 6.596 1.084 1.00 1.30 C ATOM 462 CG LYS A 31 -14.715 6.852 0.748 1.00 1.72 C ATOM 463 CD LYS A 31 -14.835 8.179 -0.004 1.00 3.58 C ATOM 464 CE LYS A 31 -16.097 8.154 -0.868 1.00 4.42 C ATOM 465 NZ LYS A 31 -16.255 9.443 -1.599 1.00 5.65 N ATOM 0 H LYS A 31 -13.481 4.127 0.875 1.00 0.89 H new ATOM 0 HA LYS A 31 -12.951 6.222 -1.020 1.00 1.13 H new ATOM 0 HB2 LYS A 31 -13.165 6.024 2.008 1.00 1.30 H new ATOM 0 HB3 LYS A 31 -12.727 7.541 1.248 1.00 1.30 H new ATOM 0 HG2 LYS A 31 -15.108 6.038 0.139 1.00 1.72 H new ATOM 0 HG3 LYS A 31 -15.309 6.883 1.661 1.00 1.72 H new ATOM 0 HD2 LYS A 31 -14.879 9.008 0.702 1.00 3.58 H new ATOM 0 HD3 LYS A 31 -13.956 8.338 -0.628 1.00 3.58 H new ATOM 0 HE2 LYS A 31 -16.041 7.330 -1.580 1.00 4.42 H new ATOM 0 HE3 LYS A 31 -16.971 7.975 -0.241 1.00 4.42 H new ATOM 0 HZ1 LYS A 31 -17.116 9.409 -2.181 1.00 5.65 H new ATOM 0 HZ2 LYS A 31 -16.330 10.223 -0.915 1.00 5.65 H new ATOM 0 HZ3 LYS A 31 -15.429 9.598 -2.212 1.00 5.65 H new ATOM 479 N GLY A 32 -10.591 7.078 -0.562 1.00 1.14 N ATOM 480 CA GLY A 32 -9.118 7.325 -0.543 1.00 1.17 C ATOM 481 C GLY A 32 -8.828 8.796 -0.245 1.00 1.73 C ATOM 482 O GLY A 32 -8.097 9.446 -0.967 1.00 2.67 O ATOM 0 H GLY A 32 -11.148 7.793 -1.030 1.00 1.14 H new ATOM 0 HA2 GLY A 32 -8.647 6.695 0.211 1.00 1.17 H new ATOM 0 HA3 GLY A 32 -8.684 7.050 -1.504 1.00 1.17 H new ATOM 486 N THR A 33 -9.410 9.292 0.812 1.00 1.69 N ATOM 487 CA THR A 33 -9.177 10.721 1.173 1.00 2.20 C ATOM 488 C THR A 33 -7.674 11.009 1.232 1.00 2.01 C ATOM 489 O THR A 33 -7.171 11.846 0.508 1.00 3.16 O ATOM 490 CB THR A 33 -9.805 11.001 2.539 1.00 2.59 C ATOM 491 OG1 THR A 33 -9.084 10.174 3.447 1.00 2.39 O ATOM 492 CG2 THR A 33 -11.248 10.508 2.605 1.00 2.56 C ATOM 0 H THR A 33 -10.031 8.777 1.436 1.00 1.69 H new ATOM 0 HA THR A 33 -9.631 11.363 0.418 1.00 2.20 H new ATOM 0 HB THR A 33 -9.777 12.070 2.748 1.00 2.59 H new ATOM 0 HG1 THR A 33 -9.433 10.302 4.354 1.00 2.39 H new ATOM 0 HG21 THR A 33 -11.662 10.724 3.590 1.00 2.56 H new ATOM 0 HG22 THR A 33 -11.841 11.015 1.843 1.00 2.56 H new ATOM 0 HG23 THR A 33 -11.274 9.433 2.429 1.00 2.56 H new ATOM 500 N GLY A 34 -6.990 10.307 2.094 1.00 0.70 N ATOM 501 CA GLY A 34 -5.520 10.523 2.215 1.00 0.38 C ATOM 502 C GLY A 34 -5.196 12.016 2.222 1.00 0.53 C ATOM 503 O GLY A 34 -6.045 12.838 2.504 1.00 0.71 O ATOM 0 H GLY A 34 -7.381 9.599 2.715 1.00 0.70 H new ATOM 0 HA2 GLY A 34 -5.153 10.061 3.132 1.00 0.38 H new ATOM 0 HA3 GLY A 34 -5.006 10.037 1.386 1.00 0.38 H new ATOM 507 N VAL A 35 -3.971 12.335 1.912 1.00 0.64 N ATOM 508 CA VAL A 35 -3.568 13.771 1.894 1.00 0.88 C ATOM 509 C VAL A 35 -4.050 14.441 0.602 1.00 1.20 C ATOM 510 O VAL A 35 -3.256 14.921 -0.183 1.00 1.95 O ATOM 511 CB VAL A 35 -2.046 13.863 1.982 1.00 0.94 C ATOM 512 CG1 VAL A 35 -1.619 15.326 1.849 1.00 1.28 C ATOM 513 CG2 VAL A 35 -1.587 13.327 3.340 1.00 0.66 C ATOM 0 H VAL A 35 -3.235 11.670 1.672 1.00 0.64 H new ATOM 0 HA VAL A 35 -4.021 14.282 2.743 1.00 0.88 H new ATOM 0 HB VAL A 35 -1.596 13.275 1.182 1.00 0.94 H new ATOM 0 HG11 VAL A 35 -0.533 15.395 1.911 1.00 1.28 H new ATOM 0 HG12 VAL A 35 -1.953 15.717 0.888 1.00 1.28 H new ATOM 0 HG13 VAL A 35 -2.067 15.910 2.653 1.00 1.28 H new ATOM 0 HG21 VAL A 35 -0.501 13.390 3.408 1.00 0.66 H new ATOM 0 HG22 VAL A 35 -2.036 13.921 4.136 1.00 0.66 H new ATOM 0 HG23 VAL A 35 -1.897 12.287 3.444 1.00 0.66 H new ATOM 523 N GLY A 36 -5.340 14.458 0.411 1.00 0.63 N ATOM 524 CA GLY A 36 -5.889 15.095 -0.820 1.00 0.89 C ATOM 525 C GLY A 36 -6.071 14.056 -1.929 1.00 1.73 C ATOM 526 O GLY A 36 -5.188 13.842 -2.735 1.00 2.94 O ATOM 0 H GLY A 36 -6.033 14.063 1.047 1.00 0.63 H new ATOM 0 HA2 GLY A 36 -6.846 15.567 -0.596 1.00 0.89 H new ATOM 0 HA3 GLY A 36 -5.216 15.883 -1.159 1.00 0.89 H new ATOM 530 N GLY A 37 -7.218 13.431 -1.946 1.00 1.68 N ATOM 531 CA GLY A 37 -7.480 12.406 -2.997 1.00 2.32 C ATOM 532 C GLY A 37 -6.264 11.495 -3.175 1.00 2.15 C ATOM 533 O GLY A 37 -5.637 11.490 -4.216 1.00 3.25 O ATOM 0 H GLY A 37 -7.979 13.584 -1.284 1.00 1.68 H new ATOM 0 HA2 GLY A 37 -8.351 11.810 -2.723 1.00 2.32 H new ATOM 0 HA3 GLY A 37 -7.715 12.897 -3.941 1.00 2.32 H new ATOM 537 N ARG A 38 -5.954 10.742 -2.152 1.00 1.01 N ATOM 538 CA ARG A 38 -4.780 9.821 -2.245 1.00 1.11 C ATOM 539 C ARG A 38 -5.088 8.499 -1.534 1.00 0.96 C ATOM 540 O ARG A 38 -5.078 8.426 -0.322 1.00 1.02 O ATOM 541 CB ARG A 38 -3.571 10.488 -1.584 1.00 1.08 C ATOM 542 CG ARG A 38 -2.293 10.086 -2.329 1.00 1.84 C ATOM 543 CD ARG A 38 -2.114 8.568 -2.247 1.00 2.80 C ATOM 544 NE ARG A 38 -0.761 8.212 -2.761 1.00 3.35 N ATOM 545 CZ ARG A 38 -0.641 7.281 -3.670 1.00 4.25 C ATOM 546 NH1 ARG A 38 -1.509 7.235 -4.644 1.00 4.24 N ATOM 547 NH2 ARG A 38 0.342 6.429 -3.574 1.00 5.47 N ATOM 0 H ARG A 38 -6.456 10.723 -1.264 1.00 1.01 H new ATOM 0 HA ARG A 38 -4.565 9.614 -3.293 1.00 1.11 H new ATOM 0 HB2 ARG A 38 -3.687 11.572 -1.599 1.00 1.08 H new ATOM 0 HB3 ARG A 38 -3.504 10.189 -0.538 1.00 1.08 H new ATOM 0 HG2 ARG A 38 -2.352 10.401 -3.371 1.00 1.84 H new ATOM 0 HG3 ARG A 38 -1.430 10.589 -1.892 1.00 1.84 H new ATOM 0 HD2 ARG A 38 -2.226 8.230 -1.217 1.00 2.80 H new ATOM 0 HD3 ARG A 38 -2.884 8.066 -2.833 1.00 2.80 H new ATOM 0 HE ARG A 38 0.066 8.692 -2.406 1.00 3.35 H new ATOM 0 HH11 ARG A 38 -2.265 7.919 -4.686 1.00 4.24 H new ATOM 0 HH12 ARG A 38 -1.431 6.515 -5.363 1.00 4.24 H new ATOM 0 HH21 ARG A 38 1.001 6.496 -2.799 1.00 5.47 H new ATOM 0 HH22 ARG A 38 0.451 5.696 -4.274 1.00 5.47 H new ATOM 561 N LEU A 39 -5.355 7.481 -2.307 1.00 0.78 N ATOM 562 CA LEU A 39 -5.666 6.156 -1.693 1.00 0.63 C ATOM 563 C LEU A 39 -4.463 5.658 -0.885 1.00 0.64 C ATOM 564 O LEU A 39 -3.359 5.592 -1.389 1.00 0.91 O ATOM 565 CB LEU A 39 -5.994 5.156 -2.809 1.00 0.85 C ATOM 566 CG LEU A 39 -6.383 3.798 -2.202 1.00 0.71 C ATOM 567 CD1 LEU A 39 -7.650 3.953 -1.353 1.00 0.48 C ATOM 568 CD2 LEU A 39 -6.659 2.808 -3.334 1.00 0.82 C ATOM 0 H LEU A 39 -5.372 7.507 -3.327 1.00 0.78 H new ATOM 0 HA LEU A 39 -6.520 6.254 -1.023 1.00 0.63 H new ATOM 0 HB2 LEU A 39 -6.811 5.537 -3.421 1.00 0.85 H new ATOM 0 HB3 LEU A 39 -5.132 5.036 -3.466 1.00 0.85 H new ATOM 0 HG LEU A 39 -5.569 3.434 -1.575 1.00 0.71 H new ATOM 0 HD11 LEU A 39 -7.922 2.988 -0.925 1.00 0.48 H new ATOM 0 HD12 LEU A 39 -7.465 4.667 -0.550 1.00 0.48 H new ATOM 0 HD13 LEU A 39 -8.466 4.315 -1.979 1.00 0.48 H new ATOM 0 HD21 LEU A 39 -6.936 1.842 -2.913 1.00 0.82 H new ATOM 0 HD22 LEU A 39 -7.475 3.181 -3.953 1.00 0.82 H new ATOM 0 HD23 LEU A 39 -5.763 2.695 -3.945 1.00 0.82 H new ATOM 580 N THR A 40 -4.705 5.317 0.352 1.00 0.49 N ATOM 581 CA THR A 40 -3.589 4.820 1.211 1.00 0.78 C ATOM 582 C THR A 40 -3.597 3.288 1.254 1.00 0.59 C ATOM 583 O THR A 40 -4.351 2.649 0.548 1.00 0.38 O ATOM 584 CB THR A 40 -3.765 5.372 2.628 1.00 1.01 C ATOM 585 OG1 THR A 40 -5.064 4.942 3.025 1.00 0.92 O ATOM 586 CG2 THR A 40 -3.826 6.896 2.631 1.00 1.05 C ATOM 0 H THR A 40 -5.619 5.360 0.803 1.00 0.49 H new ATOM 0 HA THR A 40 -2.638 5.156 0.796 1.00 0.78 H new ATOM 0 HB THR A 40 -2.942 5.041 3.262 1.00 1.01 H new ATOM 0 HG1 THR A 40 -5.374 5.489 3.777 1.00 0.92 H new ATOM 0 HG21 THR A 40 -3.951 7.253 3.653 1.00 1.05 H new ATOM 0 HG22 THR A 40 -2.901 7.298 2.217 1.00 1.05 H new ATOM 0 HG23 THR A 40 -4.669 7.228 2.025 1.00 1.05 H new ATOM 594 N ARG A 41 -2.754 2.733 2.085 1.00 0.73 N ATOM 595 CA ARG A 41 -2.694 1.244 2.189 1.00 0.56 C ATOM 596 C ARG A 41 -3.488 0.765 3.411 1.00 0.49 C ATOM 597 O ARG A 41 -3.955 -0.357 3.450 1.00 0.38 O ATOM 598 CB ARG A 41 -1.236 0.813 2.330 1.00 0.66 C ATOM 599 CG ARG A 41 -1.183 -0.684 2.648 1.00 0.96 C ATOM 600 CD ARG A 41 0.150 -1.254 2.158 1.00 0.43 C ATOM 601 NE ARG A 41 0.038 -1.576 0.707 1.00 1.55 N ATOM 602 CZ ARG A 41 -0.266 -2.792 0.341 1.00 2.64 C ATOM 603 NH1 ARG A 41 -1.440 -3.271 0.655 1.00 3.59 N ATOM 604 NH2 ARG A 41 0.614 -3.487 -0.325 1.00 3.43 N ATOM 0 H ARG A 41 -2.110 3.240 2.691 1.00 0.73 H new ATOM 0 HA ARG A 41 -3.129 0.804 1.292 1.00 0.56 H new ATOM 0 HB2 ARG A 41 -0.692 1.021 1.409 1.00 0.66 H new ATOM 0 HB3 ARG A 41 -0.751 1.383 3.122 1.00 0.66 H new ATOM 0 HG2 ARG A 41 -1.289 -0.844 3.721 1.00 0.96 H new ATOM 0 HG3 ARG A 41 -2.013 -1.200 2.165 1.00 0.96 H new ATOM 0 HD2 ARG A 41 0.951 -0.533 2.323 1.00 0.43 H new ATOM 0 HD3 ARG A 41 0.407 -2.150 2.723 1.00 0.43 H new ATOM 0 HE ARG A 41 0.197 -0.853 0.006 1.00 1.55 H new ATOM 0 HH11 ARG A 41 -2.102 -2.697 1.178 1.00 3.59 H new ATOM 0 HH12 ARG A 41 -1.695 -4.219 0.378 1.00 3.59 H new ATOM 0 HH21 ARG A 41 1.521 -3.079 -0.551 1.00 3.43 H new ATOM 0 HH22 ARG A 41 0.395 -4.439 -0.620 1.00 3.43 H new ATOM 618 N GLU A 42 -3.622 1.626 4.383 1.00 0.66 N ATOM 619 CA GLU A 42 -4.378 1.234 5.610 1.00 0.75 C ATOM 620 C GLU A 42 -5.887 1.362 5.370 1.00 0.61 C ATOM 621 O GLU A 42 -6.682 1.106 6.252 1.00 0.76 O ATOM 622 CB GLU A 42 -3.968 2.149 6.762 1.00 1.04 C ATOM 623 CG GLU A 42 -3.183 1.336 7.795 1.00 1.78 C ATOM 624 CD GLU A 42 -4.123 0.338 8.474 1.00 3.34 C ATOM 625 OE1 GLU A 42 -5.241 0.746 8.745 1.00 3.86 O ATOM 626 OE2 GLU A 42 -3.670 -0.776 8.683 1.00 4.30 O ATOM 0 H GLU A 42 -3.246 2.574 4.383 1.00 0.66 H new ATOM 0 HA GLU A 42 -4.148 0.197 5.855 1.00 0.75 H new ATOM 0 HB2 GLU A 42 -3.358 2.972 6.389 1.00 1.04 H new ATOM 0 HB3 GLU A 42 -4.851 2.590 7.224 1.00 1.04 H new ATOM 0 HG2 GLU A 42 -2.362 0.808 7.311 1.00 1.78 H new ATOM 0 HG3 GLU A 42 -2.741 2.000 8.538 1.00 1.78 H new ATOM 633 N ASP A 43 -6.248 1.754 4.177 1.00 0.38 N ATOM 634 CA ASP A 43 -7.700 1.903 3.863 1.00 0.26 C ATOM 635 C ASP A 43 -8.221 0.647 3.157 1.00 0.20 C ATOM 636 O ASP A 43 -9.360 0.260 3.335 1.00 0.36 O ATOM 637 CB ASP A 43 -7.892 3.116 2.955 1.00 0.30 C ATOM 638 CG ASP A 43 -8.126 4.359 3.816 1.00 0.60 C ATOM 639 OD1 ASP A 43 -7.129 4.944 4.205 1.00 0.78 O ATOM 640 OD2 ASP A 43 -9.289 4.653 4.036 1.00 1.42 O ATOM 0 H ASP A 43 -5.609 1.975 3.414 1.00 0.38 H new ATOM 0 HA ASP A 43 -8.256 2.041 4.790 1.00 0.26 H new ATOM 0 HB2 ASP A 43 -7.014 3.256 2.325 1.00 0.30 H new ATOM 0 HB3 ASP A 43 -8.740 2.956 2.289 1.00 0.30 H new ATOM 645 N VAL A 44 -7.377 0.037 2.372 1.00 0.22 N ATOM 646 CA VAL A 44 -7.808 -1.194 1.649 1.00 0.12 C ATOM 647 C VAL A 44 -7.437 -2.441 2.461 1.00 0.08 C ATOM 648 O VAL A 44 -8.187 -3.395 2.515 1.00 0.22 O ATOM 649 CB VAL A 44 -7.109 -1.247 0.290 1.00 0.18 C ATOM 650 CG1 VAL A 44 -7.647 -2.438 -0.507 1.00 0.20 C ATOM 651 CG2 VAL A 44 -7.400 0.044 -0.478 1.00 0.32 C ATOM 0 H VAL A 44 -6.416 0.333 2.200 1.00 0.22 H new ATOM 0 HA VAL A 44 -8.889 -1.170 1.512 1.00 0.12 H new ATOM 0 HB VAL A 44 -6.034 -1.355 0.434 1.00 0.18 H new ATOM 0 HG11 VAL A 44 -7.152 -2.480 -1.477 1.00 0.20 H new ATOM 0 HG12 VAL A 44 -7.452 -3.360 0.040 1.00 0.20 H new ATOM 0 HG13 VAL A 44 -8.721 -2.323 -0.653 1.00 0.20 H new ATOM 0 HG21 VAL A 44 -6.903 0.010 -1.448 1.00 0.32 H new ATOM 0 HG22 VAL A 44 -8.475 0.146 -0.624 1.00 0.32 H new ATOM 0 HG23 VAL A 44 -7.029 0.897 0.090 1.00 0.32 H new ATOM 661 N GLU A 45 -6.285 -2.404 3.074 1.00 0.33 N ATOM 662 CA GLU A 45 -5.847 -3.579 3.886 1.00 0.48 C ATOM 663 C GLU A 45 -6.915 -3.934 4.927 1.00 0.41 C ATOM 664 O GLU A 45 -7.246 -5.088 5.112 1.00 0.41 O ATOM 665 CB GLU A 45 -4.539 -3.240 4.597 1.00 0.70 C ATOM 666 CG GLU A 45 -4.230 -4.332 5.623 1.00 0.81 C ATOM 667 CD GLU A 45 -2.715 -4.531 5.712 1.00 1.45 C ATOM 668 OE1 GLU A 45 -2.071 -3.594 6.154 1.00 1.32 O ATOM 669 OE2 GLU A 45 -2.287 -5.609 5.333 1.00 2.55 O ATOM 0 H GLU A 45 -5.633 -1.620 3.050 1.00 0.33 H new ATOM 0 HA GLU A 45 -5.701 -4.433 3.225 1.00 0.48 H new ATOM 0 HB2 GLU A 45 -3.727 -3.163 3.874 1.00 0.70 H new ATOM 0 HB3 GLU A 45 -4.619 -2.272 5.091 1.00 0.70 H new ATOM 0 HG2 GLU A 45 -4.629 -4.054 6.598 1.00 0.81 H new ATOM 0 HG3 GLU A 45 -4.714 -5.265 5.335 1.00 0.81 H new ATOM 676 N LYS A 46 -7.430 -2.931 5.582 1.00 0.43 N ATOM 677 CA LYS A 46 -8.476 -3.189 6.618 1.00 0.46 C ATOM 678 C LYS A 46 -9.833 -3.441 5.950 1.00 0.28 C ATOM 679 O LYS A 46 -10.868 -3.158 6.518 1.00 0.67 O ATOM 680 CB LYS A 46 -8.577 -1.969 7.536 1.00 0.85 C ATOM 681 CG LYS A 46 -8.943 -2.423 8.957 1.00 1.25 C ATOM 682 CD LYS A 46 -7.662 -2.765 9.726 1.00 2.87 C ATOM 683 CE LYS A 46 -8.027 -3.185 11.152 1.00 3.48 C ATOM 684 NZ LYS A 46 -7.090 -4.234 11.643 1.00 4.81 N ATOM 0 H LYS A 46 -7.177 -1.952 5.449 1.00 0.43 H new ATOM 0 HA LYS A 46 -8.201 -4.071 7.197 1.00 0.46 H new ATOM 0 HB2 LYS A 46 -7.629 -1.431 7.548 1.00 0.85 H new ATOM 0 HB3 LYS A 46 -9.331 -1.278 7.158 1.00 0.85 H new ATOM 0 HG2 LYS A 46 -9.491 -1.635 9.473 1.00 1.25 H new ATOM 0 HG3 LYS A 46 -9.599 -3.293 8.916 1.00 1.25 H new ATOM 0 HD2 LYS A 46 -7.126 -3.570 9.223 1.00 2.87 H new ATOM 0 HD3 LYS A 46 -6.996 -1.903 9.748 1.00 2.87 H new ATOM 0 HE2 LYS A 46 -7.991 -2.319 11.813 1.00 3.48 H new ATOM 0 HE3 LYS A 46 -9.049 -3.562 11.176 1.00 3.48 H new ATOM 0 HZ1 LYS A 46 -7.352 -4.507 12.612 1.00 4.81 H new ATOM 0 HZ2 LYS A 46 -7.144 -5.066 11.022 1.00 4.81 H new ATOM 0 HZ3 LYS A 46 -6.119 -3.862 11.639 1.00 4.81 H new ATOM 698 N HIS A 47 -9.795 -3.968 4.754 1.00 0.20 N ATOM 699 CA HIS A 47 -11.075 -4.246 4.031 1.00 0.27 C ATOM 700 C HIS A 47 -10.970 -5.559 3.243 1.00 0.52 C ATOM 701 O HIS A 47 -11.881 -5.935 2.535 1.00 1.17 O ATOM 702 CB HIS A 47 -11.356 -3.097 3.064 1.00 0.77 C ATOM 703 CG HIS A 47 -12.866 -2.980 2.841 1.00 1.34 C ATOM 704 ND1 HIS A 47 -13.609 -2.136 3.395 1.00 1.67 N ATOM 705 CD2 HIS A 47 -13.701 -3.722 2.026 1.00 1.72 C ATOM 706 CE1 HIS A 47 -14.816 -2.267 3.019 1.00 2.10 C ATOM 707 NE2 HIS A 47 -14.969 -3.257 2.144 1.00 2.15 N ATOM 0 H HIS A 47 -8.944 -4.216 4.250 1.00 0.20 H new ATOM 0 HA HIS A 47 -11.884 -4.336 4.756 1.00 0.27 H new ATOM 0 HB2 HIS A 47 -10.963 -2.163 3.467 1.00 0.77 H new ATOM 0 HB3 HIS A 47 -10.849 -3.273 2.115 1.00 0.77 H new ATOM 0 HD2 HIS A 47 -13.392 -4.542 1.395 1.00 1.72 H new ATOM 0 HE1 HIS A 47 -15.626 -1.645 3.370 1.00 2.10 H new ATOM 0 HE2 HIS A 47 -15.819 -3.582 1.682 1.00 2.15 H new ATOM 715 N LEU A 48 -9.859 -6.230 3.388 1.00 0.41 N ATOM 716 CA LEU A 48 -9.680 -7.517 2.649 1.00 0.77 C ATOM 717 C LEU A 48 -10.424 -8.650 3.365 1.00 1.43 C ATOM 718 O LEU A 48 -9.927 -9.754 3.465 1.00 1.61 O ATOM 719 CB LEU A 48 -8.191 -7.848 2.582 1.00 0.62 C ATOM 720 CG LEU A 48 -7.442 -6.666 1.959 1.00 0.76 C ATOM 721 CD1 LEU A 48 -5.942 -6.968 1.954 1.00 0.74 C ATOM 722 CD2 LEU A 48 -7.917 -6.459 0.517 1.00 1.91 C ATOM 0 H LEU A 48 -9.076 -5.949 3.978 1.00 0.41 H new ATOM 0 HA LEU A 48 -10.086 -7.413 1.643 1.00 0.77 H new ATOM 0 HB2 LEU A 48 -7.806 -8.053 3.581 1.00 0.62 H new ATOM 0 HB3 LEU A 48 -8.032 -8.748 1.989 1.00 0.62 H new ATOM 0 HG LEU A 48 -7.638 -5.765 2.540 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -5.404 -6.130 1.512 1.00 0.74 H new ATOM 0 HD12 LEU A 48 -5.598 -7.121 2.977 1.00 0.74 H new ATOM 0 HD13 LEU A 48 -5.754 -7.869 1.370 1.00 0.74 H new ATOM 0 HD21 LEU A 48 -7.383 -5.618 0.075 1.00 1.91 H new ATOM 0 HD22 LEU A 48 -7.719 -7.360 -0.064 1.00 1.91 H new ATOM 0 HD23 LEU A 48 -8.987 -6.252 0.513 1.00 1.91 H new ATOM 734 N ALA A 49 -11.600 -8.353 3.844 1.00 2.31 N ATOM 735 CA ALA A 49 -12.388 -9.405 4.553 1.00 2.94 C ATOM 736 C ALA A 49 -12.572 -10.628 3.648 1.00 3.85 C ATOM 737 O ALA A 49 -12.036 -10.684 2.559 1.00 4.13 O ATOM 738 CB ALA A 49 -13.757 -8.838 4.928 1.00 4.08 C ATOM 0 H ALA A 49 -12.047 -7.439 3.778 1.00 2.31 H new ATOM 0 HA ALA A 49 -11.853 -9.709 5.452 1.00 2.94 H new ATOM 0 HB1 ALA A 49 -14.337 -9.601 5.446 1.00 4.08 H new ATOM 0 HB2 ALA A 49 -13.627 -7.975 5.581 1.00 4.08 H new ATOM 0 HB3 ALA A 49 -14.284 -8.532 4.024 1.00 4.08 H new ATOM 744 N LYS A 50 -13.330 -11.582 4.122 1.00 4.59 N ATOM 745 CA LYS A 50 -13.563 -12.811 3.306 1.00 5.74 C ATOM 746 C LYS A 50 -14.920 -12.729 2.599 1.00 7.12 C ATOM 747 O LYS A 50 -15.361 -11.662 2.220 1.00 7.43 O ATOM 748 CB LYS A 50 -13.542 -14.032 4.227 1.00 5.78 C ATOM 749 CG LYS A 50 -13.113 -15.266 3.417 1.00 6.74 C ATOM 750 CD LYS A 50 -11.577 -15.403 3.442 1.00 6.47 C ATOM 751 CE LYS A 50 -11.079 -15.720 4.866 1.00 5.54 C ATOM 752 NZ LYS A 50 -12.186 -16.224 5.729 1.00 5.96 N ATOM 0 H LYS A 50 -13.794 -11.565 5.030 1.00 4.59 H new ATOM 0 HA LYS A 50 -12.779 -12.897 2.554 1.00 5.74 H new ATOM 0 HB2 LYS A 50 -12.852 -13.867 5.054 1.00 5.78 H new ATOM 0 HB3 LYS A 50 -14.529 -14.192 4.662 1.00 5.78 H new ATOM 0 HG2 LYS A 50 -13.573 -16.162 3.832 1.00 6.74 H new ATOM 0 HG3 LYS A 50 -13.462 -15.176 2.388 1.00 6.74 H new ATOM 0 HD2 LYS A 50 -11.267 -16.194 2.759 1.00 6.47 H new ATOM 0 HD3 LYS A 50 -11.119 -14.479 3.089 1.00 6.47 H new ATOM 0 HE2 LYS A 50 -10.285 -16.465 4.818 1.00 5.54 H new ATOM 0 HE3 LYS A 50 -10.648 -14.823 5.311 1.00 5.54 H new ATOM 0 HZ1 LYS A 50 -11.789 -16.633 6.599 1.00 5.96 H new ATOM 0 HZ2 LYS A 50 -12.821 -15.437 5.974 1.00 5.96 H new ATOM 0 HZ3 LYS A 50 -12.721 -16.954 5.216 1.00 5.96 H new ATOM 766 N ALA A 51 -15.553 -13.859 2.437 1.00 8.16 N ATOM 767 CA ALA A 51 -16.881 -13.864 1.757 1.00 9.54 C ATOM 768 C ALA A 51 -17.850 -12.925 2.483 1.00 9.94 C ATOM 769 O ALA A 51 -17.877 -13.010 3.699 1.00 9.49 O ATOM 770 CB ALA A 51 -17.443 -15.284 1.766 1.00 10.37 C ATOM 771 OXT ALA A 51 -18.509 -12.177 1.778 1.00 10.86 O ATOM 0 H ALA A 51 -15.213 -14.771 2.742 1.00 8.16 H new ATOM 0 HA ALA A 51 -16.760 -13.520 0.730 1.00 9.54 H new ATOM 0 HB1 ALA A 51 -18.414 -15.294 1.270 1.00 10.37 H new ATOM 0 HB2 ALA A 51 -16.759 -15.949 1.239 1.00 10.37 H new ATOM 0 HB3 ALA A 51 -17.558 -15.623 2.795 1.00 10.37 H new TER 777 ALA A 51