USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0284 (180deg=-0.443) USER MOD Single : A 1 MET N :NH3+ 173:sc= 0 (180deg=-0.0408) USER MOD Single : A 7 TYR OH : rot -105:sc= 0.522 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -1.37 K(o=-1.4,f=-8.7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -2.34 K(o=-2.3,f=-7.4!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.505 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc=-0.00687 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.381 -5.855 -20.474 1.00 0.00 N ATOM 2 CA MET A 1 -1.633 -5.855 -21.719 1.00 0.00 C ATOM 3 C MET A 1 -0.440 -6.811 -21.643 1.00 0.00 C ATOM 4 O MET A 1 0.672 -6.454 -22.029 1.00 0.00 O ATOM 5 CB MET A 1 -1.134 -4.439 -22.016 1.00 0.00 C ATOM 6 CG MET A 1 -2.144 -3.670 -22.870 1.00 0.00 C ATOM 7 SD MET A 1 -1.634 -1.967 -23.033 1.00 0.00 S ATOM 8 CE MET A 1 -0.211 -2.170 -24.092 1.00 0.00 C ATOM 0 H1 MET A 1 -3.111 -5.115 -20.508 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.833 -6.782 -20.341 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.735 -5.668 -19.681 1.00 0.00 H new ATOM 0 HA MET A 1 -2.294 -6.192 -22.517 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.963 -3.906 -21.081 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.177 -4.488 -22.535 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.225 -4.130 -23.855 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.132 -3.720 -22.413 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.029 -1.218 -24.566 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.640 -2.504 -23.498 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.432 -2.912 -24.860 1.00 0.00 H new ATOM 18 N ALA A 2 -0.713 -8.006 -21.141 1.00 0.00 N ATOM 19 CA ALA A 2 0.324 -9.016 -21.009 1.00 0.00 C ATOM 20 C ALA A 2 1.142 -8.738 -19.746 1.00 0.00 C ATOM 21 O ALA A 2 1.260 -9.599 -18.876 1.00 0.00 O ATOM 22 CB ALA A 2 1.187 -9.030 -22.272 1.00 0.00 C ATOM 0 H ALA A 2 -1.636 -8.298 -20.821 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.116 -10.008 -20.905 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.965 -9.787 -22.173 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.564 -9.261 -23.136 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.648 -8.052 -22.408 1.00 0.00 H new ATOM 28 N GLU A 3 1.687 -7.532 -19.686 1.00 0.00 N ATOM 29 CA GLU A 3 2.491 -7.129 -18.545 1.00 0.00 C ATOM 30 C GLU A 3 1.913 -7.715 -17.255 1.00 0.00 C ATOM 31 O GLU A 3 0.791 -7.389 -16.870 1.00 0.00 O ATOM 32 CB GLU A 3 2.595 -5.605 -18.457 1.00 0.00 C ATOM 33 CG GLU A 3 1.372 -4.935 -19.087 1.00 0.00 C ATOM 34 CD GLU A 3 1.074 -3.594 -18.414 1.00 0.00 C ATOM 35 OE1 GLU A 3 2.001 -2.819 -18.137 1.00 0.00 O ATOM 36 OE2 GLU A 3 -0.174 -3.368 -18.178 1.00 0.00 O ATOM 0 H GLU A 3 1.587 -6.820 -20.410 1.00 0.00 H new ATOM 0 HA GLU A 3 3.499 -7.521 -18.680 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.683 -5.302 -17.413 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.500 -5.269 -18.963 1.00 0.00 H new ATOM 0 HG2 GLU A 3 1.546 -4.781 -20.152 1.00 0.00 H new ATOM 0 HG3 GLU A 3 0.507 -5.591 -18.997 1.00 0.00 H new ATOM 44 N ASP A 4 2.704 -8.569 -16.624 1.00 0.00 N ATOM 45 CA ASP A 4 2.285 -9.203 -15.385 1.00 0.00 C ATOM 46 C ASP A 4 3.517 -9.520 -14.537 1.00 0.00 C ATOM 47 O ASP A 4 3.462 -10.369 -13.648 1.00 0.00 O ATOM 48 CB ASP A 4 1.550 -10.516 -15.660 1.00 0.00 C ATOM 49 CG ASP A 4 0.056 -10.503 -15.331 1.00 0.00 C ATOM 50 OD1 ASP A 4 -0.789 -10.251 -16.203 1.00 0.00 O ATOM 51 OD2 ASP A 4 -0.234 -10.768 -14.102 1.00 0.00 O ATOM 0 H ASP A 4 3.633 -8.837 -16.947 1.00 0.00 H new ATOM 0 HA ASP A 4 1.616 -8.517 -14.865 1.00 0.00 H new ATOM 0 HB2 ASP A 4 1.672 -10.770 -16.713 1.00 0.00 H new ATOM 0 HB3 ASP A 4 2.027 -11.309 -15.084 1.00 0.00 H new ATOM 57 N GLU A 5 4.601 -8.820 -14.840 1.00 0.00 N ATOM 58 CA GLU A 5 5.845 -9.016 -14.115 1.00 0.00 C ATOM 59 C GLU A 5 5.863 -8.159 -12.848 1.00 0.00 C ATOM 60 O GLU A 5 6.896 -8.036 -12.192 1.00 0.00 O ATOM 61 CB GLU A 5 7.052 -8.706 -15.004 1.00 0.00 C ATOM 62 CG GLU A 5 7.866 -9.971 -15.284 1.00 0.00 C ATOM 63 CD GLU A 5 8.724 -9.804 -16.540 1.00 0.00 C ATOM 64 OE1 GLU A 5 8.301 -9.134 -17.494 1.00 0.00 O ATOM 65 OE2 GLU A 5 9.868 -10.399 -16.502 1.00 0.00 O ATOM 0 H GLU A 5 4.643 -8.117 -15.578 1.00 0.00 H new ATOM 0 HA GLU A 5 5.910 -10.064 -13.822 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.713 -8.272 -15.945 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.684 -7.962 -14.519 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.505 -10.193 -14.429 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.194 -10.820 -15.409 1.00 0.00 H new ATOM 73 N GLY A 6 4.707 -7.588 -12.542 1.00 0.00 N ATOM 74 CA GLY A 6 4.577 -6.746 -11.366 1.00 0.00 C ATOM 75 C GLY A 6 3.109 -6.410 -11.092 1.00 0.00 C ATOM 76 O GLY A 6 2.414 -5.893 -11.965 1.00 0.00 O ATOM 0 H GLY A 6 3.852 -7.692 -13.089 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.005 -7.254 -10.502 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.144 -5.826 -11.508 1.00 0.00 H new ATOM 80 N TYR A 7 2.682 -6.716 -9.876 1.00 0.00 N ATOM 81 CA TYR A 7 1.310 -6.453 -9.476 1.00 0.00 C ATOM 82 C TYR A 7 1.222 -5.190 -8.617 1.00 0.00 C ATOM 83 O TYR A 7 1.787 -5.136 -7.526 1.00 0.00 O ATOM 84 CB TYR A 7 0.877 -7.657 -8.637 1.00 0.00 C ATOM 85 CG TYR A 7 1.815 -7.972 -7.470 1.00 0.00 C ATOM 86 CD1 TYR A 7 1.609 -7.382 -6.240 1.00 0.00 C ATOM 87 CD2 TYR A 7 2.867 -8.848 -7.648 1.00 0.00 C ATOM 88 CE1 TYR A 7 2.492 -7.679 -5.142 1.00 0.00 C ATOM 89 CE2 TYR A 7 3.750 -9.145 -6.550 1.00 0.00 C ATOM 90 CZ TYR A 7 3.519 -8.545 -5.351 1.00 0.00 C ATOM 91 OH TYR A 7 4.352 -8.826 -4.314 1.00 0.00 O ATOM 0 H TYR A 7 3.262 -7.144 -9.154 1.00 0.00 H new ATOM 0 HA TYR A 7 0.677 -6.304 -10.351 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.124 -7.473 -8.246 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.811 -8.532 -9.283 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.785 -6.697 -6.101 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.028 -9.310 -8.611 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.342 -7.224 -4.174 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.577 -9.828 -6.675 1.00 0.00 H new ATOM 0 HH TYR A 7 5.205 -8.362 -4.445 1.00 0.00 H new ATOM 101 N PRO A 8 0.490 -4.178 -9.156 1.00 0.00 N ATOM 102 CA PRO A 8 0.320 -2.919 -8.451 1.00 0.00 C ATOM 103 C PRO A 8 -0.671 -3.067 -7.294 1.00 0.00 C ATOM 104 O PRO A 8 -1.592 -3.880 -7.362 1.00 0.00 O ATOM 105 CB PRO A 8 -0.146 -1.935 -9.510 1.00 0.00 C ATOM 106 CG PRO A 8 -0.666 -2.778 -10.663 1.00 0.00 C ATOM 107 CD PRO A 8 -0.194 -4.207 -10.445 1.00 0.00 C ATOM 0 HA PRO A 8 1.241 -2.572 -7.982 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.927 -1.283 -9.120 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.673 -1.293 -9.834 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.754 -2.738 -10.705 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.296 -2.394 -11.614 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.032 -4.904 -10.433 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.476 -4.529 -11.242 1.00 0.00 H new ATOM 115 N ALA A 9 -0.448 -2.270 -6.260 1.00 0.00 N ATOM 116 CA ALA A 9 -1.310 -2.302 -5.091 1.00 0.00 C ATOM 117 C ALA A 9 -1.758 -0.878 -4.754 1.00 0.00 C ATOM 118 O ALA A 9 -0.942 0.042 -4.721 1.00 0.00 O ATOM 119 CB ALA A 9 -0.571 -2.970 -3.930 1.00 0.00 C ATOM 0 H ALA A 9 0.317 -1.598 -6.207 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.205 -2.891 -5.290 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.218 -2.994 -3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.300 -3.988 -4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.332 -2.404 -3.700 1.00 0.00 H new ATOM 125 N GLU A 10 -3.053 -0.742 -4.512 1.00 0.00 N ATOM 126 CA GLU A 10 -3.620 0.554 -4.178 1.00 0.00 C ATOM 127 C GLU A 10 -3.890 0.645 -2.675 1.00 0.00 C ATOM 128 O GLU A 10 -4.430 -0.287 -2.081 1.00 0.00 O ATOM 129 CB GLU A 10 -4.895 0.818 -4.981 1.00 0.00 C ATOM 130 CG GLU A 10 -5.159 2.320 -5.114 1.00 0.00 C ATOM 131 CD GLU A 10 -6.620 2.649 -4.802 1.00 0.00 C ATOM 132 OE1 GLU A 10 -7.000 2.728 -3.625 1.00 0.00 O ATOM 133 OE2 GLU A 10 -7.371 2.827 -5.836 1.00 0.00 O ATOM 0 H GLU A 10 -3.726 -1.508 -4.540 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.896 1.324 -4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.804 0.372 -5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.743 0.338 -4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.506 2.869 -4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.917 2.647 -6.125 1.00 0.00 H new ATOM 141 N VAL A 11 -3.502 1.775 -2.103 1.00 0.00 N ATOM 142 CA VAL A 11 -3.696 1.999 -0.681 1.00 0.00 C ATOM 143 C VAL A 11 -5.188 1.916 -0.354 1.00 0.00 C ATOM 144 O VAL A 11 -6.003 2.588 -0.984 1.00 0.00 O ATOM 145 CB VAL A 11 -3.067 3.333 -0.271 1.00 0.00 C ATOM 146 CG1 VAL A 11 -3.293 3.611 1.217 1.00 0.00 C ATOM 147 CG2 VAL A 11 -1.577 3.366 -0.615 1.00 0.00 C ATOM 0 H VAL A 11 -3.054 2.546 -2.599 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.193 1.225 -0.101 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.559 4.123 -0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.836 4.564 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.363 3.652 1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.841 2.815 1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.155 4.325 -0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.064 2.562 -0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.449 3.235 -1.690 1.00 0.00 H new ATOM 157 N ILE A 12 -5.501 1.086 0.630 1.00 0.00 N ATOM 158 CA ILE A 12 -6.881 0.906 1.047 1.00 0.00 C ATOM 159 C ILE A 12 -7.131 1.711 2.324 1.00 0.00 C ATOM 160 O ILE A 12 -8.203 2.289 2.497 1.00 0.00 O ATOM 161 CB ILE A 12 -7.210 -0.582 1.184 1.00 0.00 C ATOM 162 CG1 ILE A 12 -6.102 -1.322 1.937 1.00 0.00 C ATOM 163 CG2 ILE A 12 -7.491 -1.209 -0.183 1.00 0.00 C ATOM 164 CD1 ILE A 12 -6.682 -2.439 2.806 1.00 0.00 C ATOM 0 H ILE A 12 -4.822 0.531 1.151 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.562 1.290 0.288 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.120 -0.677 1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.391 -1.742 1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.550 -0.620 2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.722 -2.267 -0.058 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.339 -0.705 -0.647 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.613 -1.103 -0.820 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.874 -2.949 3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.374 -2.013 3.533 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.212 -3.152 2.175 1.00 0.00 H new ATOM 176 N GLU A 13 -6.125 1.723 3.185 1.00 0.00 N ATOM 177 CA GLU A 13 -6.222 2.447 4.441 1.00 0.00 C ATOM 178 C GLU A 13 -4.831 2.661 5.041 1.00 0.00 C ATOM 179 O GLU A 13 -3.969 1.789 4.943 1.00 0.00 O ATOM 180 CB GLU A 13 -7.138 1.717 5.426 1.00 0.00 C ATOM 181 CG GLU A 13 -7.202 2.454 6.765 1.00 0.00 C ATOM 182 CD GLU A 13 -8.614 2.403 7.352 1.00 0.00 C ATOM 183 OE1 GLU A 13 -8.989 1.401 7.980 1.00 0.00 O ATOM 184 OE2 GLU A 13 -9.332 3.452 7.136 1.00 0.00 O ATOM 0 H GLU A 13 -5.237 1.242 3.038 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.663 3.423 4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.140 1.635 5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.774 0.702 5.583 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.497 2.006 7.465 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.899 3.492 6.628 1.00 0.00 H new ATOM 192 N ILE A 14 -4.656 3.825 5.649 1.00 0.00 N ATOM 193 CA ILE A 14 -3.384 4.163 6.264 1.00 0.00 C ATOM 194 C ILE A 14 -3.417 3.770 7.742 1.00 0.00 C ATOM 195 O ILE A 14 -4.421 3.978 8.421 1.00 0.00 O ATOM 196 CB ILE A 14 -3.050 5.638 6.027 1.00 0.00 C ATOM 197 CG1 ILE A 14 -3.130 5.986 4.540 1.00 0.00 C ATOM 198 CG2 ILE A 14 -1.689 5.995 6.627 1.00 0.00 C ATOM 199 CD1 ILE A 14 -3.459 7.467 4.340 1.00 0.00 C ATOM 0 H ILE A 14 -5.374 4.546 5.729 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.575 3.598 5.801 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.797 6.244 6.540 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.181 5.752 4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.892 5.372 4.060 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.476 7.048 6.445 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.705 5.809 7.701 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.915 5.383 6.164 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.510 7.688 3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.420 7.692 4.803 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.682 8.078 4.800 1.00 0.00 H new ATOM 211 N ILE A 15 -2.306 3.209 8.197 1.00 0.00 N ATOM 212 CA ILE A 15 -2.195 2.785 9.583 1.00 0.00 C ATOM 213 C ILE A 15 -1.791 3.981 10.447 1.00 0.00 C ATOM 214 O ILE A 15 -2.540 4.394 11.330 1.00 0.00 O ATOM 215 CB ILE A 15 -1.246 1.591 9.703 1.00 0.00 C ATOM 216 CG1 ILE A 15 -1.763 0.396 8.899 1.00 0.00 C ATOM 217 CG2 ILE A 15 -0.999 1.232 11.169 1.00 0.00 C ATOM 218 CD1 ILE A 15 -0.622 -0.300 8.155 1.00 0.00 C ATOM 0 H ILE A 15 -1.475 3.038 7.631 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.159 2.435 9.953 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.285 1.875 9.275 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.251 -0.313 9.568 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.516 0.732 8.186 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.321 0.380 11.226 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.554 2.084 11.682 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.945 0.975 11.645 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.017 -1.145 7.592 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.151 0.405 7.469 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.117 -0.656 8.873 1.00 0.00 H new ATOM 230 N GLY A 16 -0.607 4.503 10.162 1.00 0.00 N ATOM 231 CA GLY A 16 -0.095 5.644 10.902 1.00 0.00 C ATOM 232 C GLY A 16 1.410 5.810 10.681 1.00 0.00 C ATOM 233 O GLY A 16 1.902 5.622 9.569 1.00 0.00 O ATOM 0 H GLY A 16 0.012 4.157 9.429 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.614 6.549 10.587 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.298 5.513 11.965 1.00 0.00 H new ATOM 237 N ARG A 17 2.099 6.160 11.757 1.00 0.00 N ATOM 238 CA ARG A 17 3.538 6.353 11.695 1.00 0.00 C ATOM 239 C ARG A 17 4.264 5.106 12.202 1.00 0.00 C ATOM 240 O ARG A 17 3.635 4.188 12.728 1.00 0.00 O ATOM 241 CB ARG A 17 3.968 7.561 12.530 1.00 0.00 C ATOM 242 CG ARG A 17 5.088 8.337 11.835 1.00 0.00 C ATOM 243 CD ARG A 17 4.748 9.826 11.744 1.00 0.00 C ATOM 244 NE ARG A 17 5.990 10.622 11.624 1.00 0.00 N ATOM 245 CZ ARG A 17 6.054 11.843 11.050 1.00 0.00 C ATOM 246 NH1 ARG A 17 4.946 12.418 10.539 1.00 0.00 N ATOM 247 NH2 ARG A 17 7.218 12.465 10.997 1.00 0.00 N ATOM 0 H ARG A 17 1.687 6.315 12.677 1.00 0.00 H new ATOM 0 HA ARG A 17 3.804 6.533 10.653 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.113 8.217 12.694 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.306 7.228 13.511 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.021 8.206 12.384 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.247 7.935 10.835 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.105 10.009 10.883 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.192 10.135 12.629 1.00 0.00 H new ATOM 0 HE ARG A 17 6.851 10.224 11.998 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.051 11.930 10.584 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.003 13.340 10.107 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.051 12.023 11.386 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.284 13.388 10.567 1.00 0.00 H new ATOM 260 N THR A 18 5.577 5.112 12.028 1.00 0.00 N ATOM 261 CA THR A 18 6.395 3.992 12.462 1.00 0.00 C ATOM 262 C THR A 18 7.646 4.494 13.185 1.00 0.00 C ATOM 263 O THR A 18 7.992 3.994 14.254 1.00 0.00 O ATOM 264 CB THR A 18 6.707 3.131 11.236 1.00 0.00 C ATOM 265 OG1 THR A 18 5.471 2.485 10.942 1.00 0.00 O ATOM 266 CG2 THR A 18 7.662 1.980 11.556 1.00 0.00 C ATOM 0 H THR A 18 6.095 5.875 11.592 1.00 0.00 H new ATOM 0 HA THR A 18 5.865 3.373 13.186 1.00 0.00 H new ATOM 0 HB THR A 18 7.141 3.756 10.455 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.582 1.907 10.158 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.850 1.401 10.652 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.603 2.382 11.932 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.215 1.336 12.313 1.00 0.00 H new ATOM 274 N GLY A 19 8.290 5.478 12.574 1.00 0.00 N ATOM 275 CA GLY A 19 9.495 6.053 13.147 1.00 0.00 C ATOM 276 C GLY A 19 10.542 4.972 13.421 1.00 0.00 C ATOM 277 O GLY A 19 10.644 3.998 12.676 1.00 0.00 O ATOM 0 H GLY A 19 8.000 5.891 11.688 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.906 6.798 12.466 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.250 6.570 14.075 1.00 0.00 H new ATOM 281 N THR A 20 11.293 5.179 14.493 1.00 0.00 N ATOM 282 CA THR A 20 12.329 4.234 14.875 1.00 0.00 C ATOM 283 C THR A 20 13.412 4.165 13.797 1.00 0.00 C ATOM 284 O THR A 20 14.497 4.719 13.966 1.00 0.00 O ATOM 285 CB THR A 20 11.660 2.886 15.151 1.00 0.00 C ATOM 286 OG1 THR A 20 10.993 3.078 16.396 1.00 0.00 O ATOM 287 CG2 THR A 20 12.674 1.778 15.439 1.00 0.00 C ATOM 0 H THR A 20 11.205 5.987 15.109 1.00 0.00 H new ATOM 0 HA THR A 20 12.839 4.553 15.784 1.00 0.00 H new ATOM 0 HB THR A 20 11.046 2.603 14.296 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.531 2.252 16.650 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.147 0.843 15.628 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.333 1.656 14.580 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.265 2.045 16.315 1.00 0.00 H new ATOM 295 N THR A 21 13.080 3.481 12.712 1.00 0.00 N ATOM 296 CA THR A 21 14.011 3.333 11.606 1.00 0.00 C ATOM 297 C THR A 21 14.383 4.703 11.035 1.00 0.00 C ATOM 298 O THR A 21 15.533 4.934 10.667 1.00 0.00 O ATOM 299 CB THR A 21 13.376 2.397 10.576 1.00 0.00 C ATOM 300 OG1 THR A 21 13.696 1.091 11.050 1.00 0.00 O ATOM 301 CG2 THR A 21 14.062 2.477 9.211 1.00 0.00 C ATOM 0 H THR A 21 12.179 3.023 12.575 1.00 0.00 H new ATOM 0 HA THR A 21 14.950 2.888 11.936 1.00 0.00 H new ATOM 0 HB THR A 21 12.320 2.642 10.466 1.00 0.00 H new ATOM 0 HG1 THR A 21 13.321 0.421 10.441 1.00 0.00 H new ATOM 0 HG21 THR A 21 13.573 1.793 8.517 1.00 0.00 H new ATOM 0 HG22 THR A 21 13.992 3.495 8.828 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.111 2.200 9.314 1.00 0.00 H new ATOM 309 N GLY A 22 13.387 5.575 10.979 1.00 0.00 N ATOM 310 CA GLY A 22 13.595 6.916 10.459 1.00 0.00 C ATOM 311 C GLY A 22 12.285 7.513 9.942 1.00 0.00 C ATOM 312 O GLY A 22 12.060 7.576 8.735 1.00 0.00 O ATOM 0 H GLY A 22 12.434 5.379 11.285 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.005 7.554 11.242 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.329 6.888 9.653 1.00 0.00 H new ATOM 316 N ASP A 23 11.454 7.937 10.883 1.00 0.00 N ATOM 317 CA ASP A 23 10.171 8.527 10.539 1.00 0.00 C ATOM 318 C ASP A 23 9.508 7.691 9.442 1.00 0.00 C ATOM 319 O ASP A 23 9.098 8.225 8.412 1.00 0.00 O ATOM 320 CB ASP A 23 10.345 9.951 10.008 1.00 0.00 C ATOM 321 CG ASP A 23 11.085 10.905 10.947 1.00 0.00 C ATOM 322 OD1 ASP A 23 12.324 10.953 10.962 1.00 0.00 O ATOM 323 OD2 ASP A 23 10.326 11.631 11.696 1.00 0.00 O ATOM 0 H ASP A 23 11.644 7.884 11.884 1.00 0.00 H new ATOM 0 HA ASP A 23 9.558 8.550 11.440 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.884 9.906 9.061 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.360 10.366 9.795 1.00 0.00 H new ATOM 329 N VAL A 24 9.424 6.394 9.700 1.00 0.00 N ATOM 330 CA VAL A 24 8.818 5.480 8.748 1.00 0.00 C ATOM 331 C VAL A 24 7.296 5.626 8.804 1.00 0.00 C ATOM 332 O VAL A 24 6.750 6.092 9.803 1.00 0.00 O ATOM 333 CB VAL A 24 9.291 4.050 9.020 1.00 0.00 C ATOM 334 CG1 VAL A 24 8.551 3.049 8.132 1.00 0.00 C ATOM 335 CG2 VAL A 24 10.806 3.930 8.838 1.00 0.00 C ATOM 0 H VAL A 24 9.766 5.955 10.555 1.00 0.00 H new ATOM 0 HA VAL A 24 9.131 5.724 7.733 1.00 0.00 H new ATOM 0 HB VAL A 24 9.058 3.812 10.058 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.906 2.041 8.346 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.481 3.107 8.332 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.737 3.285 7.084 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.116 2.904 9.037 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.072 4.197 7.815 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.310 4.603 9.532 1.00 0.00 H new ATOM 345 N THR A 25 6.654 5.219 7.719 1.00 0.00 N ATOM 346 CA THR A 25 5.205 5.299 7.632 1.00 0.00 C ATOM 347 C THR A 25 4.635 4.011 7.035 1.00 0.00 C ATOM 348 O THR A 25 4.867 3.709 5.866 1.00 0.00 O ATOM 349 CB THR A 25 4.848 6.551 6.829 1.00 0.00 C ATOM 350 OG1 THR A 25 5.124 7.627 7.722 1.00 0.00 O ATOM 351 CG2 THR A 25 3.346 6.666 6.561 1.00 0.00 C ATOM 0 H THR A 25 7.110 4.833 6.892 1.00 0.00 H new ATOM 0 HA THR A 25 4.754 5.390 8.620 1.00 0.00 H new ATOM 0 HB THR A 25 5.386 6.540 5.881 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.922 8.478 7.281 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.147 7.572 5.988 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.010 5.797 5.995 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.810 6.711 7.509 1.00 0.00 H new ATOM 359 N GLN A 26 3.899 3.287 7.866 1.00 0.00 N ATOM 360 CA GLN A 26 3.293 2.039 7.435 1.00 0.00 C ATOM 361 C GLN A 26 1.882 2.291 6.898 1.00 0.00 C ATOM 362 O GLN A 26 1.093 2.996 7.524 1.00 0.00 O ATOM 363 CB GLN A 26 3.272 1.017 8.573 1.00 0.00 C ATOM 364 CG GLN A 26 4.260 -0.120 8.308 1.00 0.00 C ATOM 365 CD GLN A 26 3.576 -1.282 7.585 1.00 0.00 C ATOM 366 OE1 GLN A 26 2.876 -1.109 6.601 1.00 0.00 O ATOM 367 NE2 GLN A 26 3.817 -2.473 8.126 1.00 0.00 N ATOM 0 H GLN A 26 3.709 3.541 8.835 1.00 0.00 H new ATOM 0 HA GLN A 26 3.898 1.624 6.629 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.522 1.509 9.513 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.266 0.611 8.683 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.091 0.248 7.707 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.679 -0.470 9.251 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.413 -2.547 8.951 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.406 -3.312 7.716 1.00 0.00 H new ATOM 376 N VAL A 27 1.609 1.700 5.744 1.00 0.00 N ATOM 377 CA VAL A 27 0.307 1.852 5.116 1.00 0.00 C ATOM 378 C VAL A 27 -0.148 0.500 4.562 1.00 0.00 C ATOM 379 O VAL A 27 0.679 -0.344 4.219 1.00 0.00 O ATOM 380 CB VAL A 27 0.365 2.946 4.049 1.00 0.00 C ATOM 381 CG1 VAL A 27 0.521 4.328 4.688 1.00 0.00 C ATOM 382 CG2 VAL A 27 1.489 2.676 3.046 1.00 0.00 C ATOM 0 H VAL A 27 2.266 1.115 5.228 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.435 2.170 5.848 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.579 2.933 3.505 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.560 5.088 3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.328 4.524 5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.443 4.358 5.269 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.508 3.469 2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.445 2.648 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.316 1.718 2.555 1.00 0.00 H new ATOM 392 N LYS A 28 -1.460 0.336 4.491 1.00 0.00 N ATOM 393 CA LYS A 28 -2.035 -0.898 3.985 1.00 0.00 C ATOM 394 C LYS A 28 -2.494 -0.687 2.541 1.00 0.00 C ATOM 395 O LYS A 28 -3.179 0.290 2.240 1.00 0.00 O ATOM 396 CB LYS A 28 -3.142 -1.396 4.916 1.00 0.00 C ATOM 397 CG LYS A 28 -2.581 -2.343 5.978 1.00 0.00 C ATOM 398 CD LYS A 28 -3.698 -2.897 6.864 1.00 0.00 C ATOM 399 CE LYS A 28 -3.150 -3.917 7.864 1.00 0.00 C ATOM 400 NZ LYS A 28 -2.771 -3.250 9.130 1.00 0.00 N ATOM 0 H LYS A 28 -2.142 1.038 4.776 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.285 -1.689 3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.625 -0.547 5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.908 -1.909 4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.054 -3.165 5.495 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.852 -1.815 6.593 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.181 -2.080 7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.461 -3.365 6.243 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.901 -4.682 8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.283 -4.422 7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.401 -3.957 9.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.039 -2.536 8.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.606 -2.788 9.543 1.00 0.00 H new ATOM 413 N VAL A 29 -2.099 -1.619 1.685 1.00 0.00 N ATOM 414 CA VAL A 29 -2.462 -1.547 0.280 1.00 0.00 C ATOM 415 C VAL A 29 -3.010 -2.902 -0.171 1.00 0.00 C ATOM 416 O VAL A 29 -2.657 -3.937 0.393 1.00 0.00 O ATOM 417 CB VAL A 29 -1.261 -1.082 -0.547 1.00 0.00 C ATOM 418 CG1 VAL A 29 -0.767 0.287 -0.075 1.00 0.00 C ATOM 419 CG2 VAL A 29 -0.134 -2.116 -0.506 1.00 0.00 C ATOM 0 H VAL A 29 -1.531 -2.428 1.938 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.251 -0.810 0.126 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.586 -0.982 -1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.087 0.594 -0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.568 1.019 -0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.467 0.225 0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.707 -1.761 -1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.188 -2.263 0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.493 -3.062 -0.912 1.00 0.00 H new ATOM 429 N ARG A 30 -3.864 -2.852 -1.183 1.00 0.00 N ATOM 430 CA ARG A 30 -4.464 -4.063 -1.716 1.00 0.00 C ATOM 431 C ARG A 30 -4.025 -4.280 -3.166 1.00 0.00 C ATOM 432 O ARG A 30 -3.792 -3.319 -3.897 1.00 0.00 O ATOM 433 CB ARG A 30 -5.991 -3.993 -1.658 1.00 0.00 C ATOM 434 CG ARG A 30 -6.622 -5.215 -2.328 1.00 0.00 C ATOM 435 CD ARG A 30 -8.121 -5.292 -2.028 1.00 0.00 C ATOM 436 NE ARG A 30 -8.885 -4.588 -3.082 1.00 0.00 N ATOM 437 CZ ARG A 30 -10.225 -4.425 -3.065 1.00 0.00 C ATOM 438 NH1 ARG A 30 -10.962 -4.916 -2.046 1.00 0.00 N ATOM 439 NH2 ARG A 30 -10.804 -3.780 -4.060 1.00 0.00 N ATOM 0 H ARG A 30 -4.155 -1.992 -1.648 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.126 -4.898 -1.102 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.317 -3.935 -0.619 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.336 -3.085 -2.152 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.465 -5.165 -3.406 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.130 -6.122 -1.976 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.436 -6.334 -1.973 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.329 -4.845 -1.056 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.367 -4.202 -3.871 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.507 -5.414 -1.281 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.974 -4.788 -2.041 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.240 -3.413 -4.827 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.815 -3.648 -4.062 1.00 0.00 H new ATOM 452 N ILE A 31 -3.925 -5.548 -3.537 1.00 0.00 N ATOM 453 CA ILE A 31 -3.519 -5.902 -4.886 1.00 0.00 C ATOM 454 C ILE A 31 -4.645 -5.555 -5.862 1.00 0.00 C ATOM 455 O ILE A 31 -5.798 -5.924 -5.641 1.00 0.00 O ATOM 456 CB ILE A 31 -3.083 -7.368 -4.947 1.00 0.00 C ATOM 457 CG1 ILE A 31 -1.942 -7.642 -3.964 1.00 0.00 C ATOM 458 CG2 ILE A 31 -2.717 -7.773 -6.376 1.00 0.00 C ATOM 459 CD1 ILE A 31 -1.389 -9.056 -4.146 1.00 0.00 C ATOM 0 H ILE A 31 -4.118 -6.342 -2.927 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.647 -5.321 -5.185 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.927 -7.988 -4.643 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.145 -6.914 -4.115 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.300 -7.516 -2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.411 -8.819 -6.391 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.582 -7.639 -7.025 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.897 -7.150 -6.732 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.580 -9.224 -3.436 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.183 -9.782 -3.971 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.010 -9.171 -5.162 1.00 0.00 H new ATOM 471 N LEU A 32 -4.272 -4.850 -6.919 1.00 0.00 N ATOM 472 CA LEU A 32 -5.236 -4.449 -7.929 1.00 0.00 C ATOM 473 C LEU A 32 -5.403 -5.579 -8.947 1.00 0.00 C ATOM 474 O LEU A 32 -6.475 -5.743 -9.528 1.00 0.00 O ATOM 475 CB LEU A 32 -4.832 -3.113 -8.556 1.00 0.00 C ATOM 476 CG LEU A 32 -5.146 -1.863 -7.731 1.00 0.00 C ATOM 477 CD1 LEU A 32 -4.533 -0.616 -8.371 1.00 0.00 C ATOM 478 CD2 LEU A 32 -6.653 -1.713 -7.515 1.00 0.00 C ATOM 0 H LEU A 32 -3.315 -4.546 -7.098 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.213 -4.280 -7.476 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.760 -3.135 -8.751 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.330 -3.022 -9.521 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.689 -1.979 -6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.771 0.258 -7.765 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.451 -0.732 -8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.940 -0.484 -9.374 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.849 -0.817 -6.926 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.152 -1.629 -8.480 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.033 -2.586 -6.985 1.00 0.00 H new ATOM 490 N GLU A 33 -4.328 -6.331 -9.130 1.00 0.00 N ATOM 491 CA GLU A 33 -4.341 -7.441 -10.067 1.00 0.00 C ATOM 492 C GLU A 33 -3.089 -8.302 -9.889 1.00 0.00 C ATOM 493 O GLU A 33 -2.144 -7.897 -9.213 1.00 0.00 O ATOM 494 CB GLU A 33 -4.462 -6.941 -11.508 1.00 0.00 C ATOM 495 CG GLU A 33 -5.408 -7.830 -12.319 1.00 0.00 C ATOM 496 CD GLU A 33 -5.817 -7.147 -13.626 1.00 0.00 C ATOM 497 OE1 GLU A 33 -4.994 -6.460 -14.250 1.00 0.00 O ATOM 498 OE2 GLU A 33 -7.037 -7.350 -13.989 1.00 0.00 O ATOM 0 H GLU A 33 -3.441 -6.193 -8.645 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.215 -8.058 -9.856 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.829 -5.915 -11.511 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.478 -6.929 -11.976 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.921 -8.780 -12.538 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.296 -8.055 -11.729 1.00 0.00 H new ATOM 506 N GLY A 34 -3.122 -9.474 -10.506 1.00 0.00 N ATOM 507 CA GLY A 34 -2.001 -10.395 -10.424 1.00 0.00 C ATOM 508 C GLY A 34 -2.411 -11.696 -9.732 1.00 0.00 C ATOM 509 O GLY A 34 -1.942 -11.995 -8.635 1.00 0.00 O ATOM 0 H GLY A 34 -3.908 -9.807 -11.065 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.630 -10.613 -11.426 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.182 -9.929 -9.875 1.00 0.00 H new ATOM 513 N ARG A 35 -3.283 -12.436 -10.402 1.00 0.00 N ATOM 514 CA ARG A 35 -3.761 -13.699 -9.865 1.00 0.00 C ATOM 515 C ARG A 35 -4.559 -13.462 -8.581 1.00 0.00 C ATOM 516 O ARG A 35 -5.787 -13.538 -8.586 1.00 0.00 O ATOM 517 CB ARG A 35 -2.598 -14.647 -9.566 1.00 0.00 C ATOM 518 CG ARG A 35 -2.818 -16.010 -10.225 1.00 0.00 C ATOM 519 CD ARG A 35 -2.759 -17.135 -9.190 1.00 0.00 C ATOM 520 NE ARG A 35 -3.880 -18.078 -9.404 1.00 0.00 N ATOM 521 CZ ARG A 35 -3.961 -18.935 -10.444 1.00 0.00 C ATOM 522 NH1 ARG A 35 -2.985 -18.974 -11.376 1.00 0.00 N ATOM 523 NH2 ARG A 35 -5.008 -19.733 -10.535 1.00 0.00 N ATOM 0 H ARG A 35 -3.671 -12.185 -11.311 1.00 0.00 H new ATOM 0 HA ARG A 35 -4.403 -14.157 -10.618 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.667 -14.211 -9.927 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.495 -14.773 -8.488 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.785 -16.023 -10.727 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.059 -16.175 -10.990 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.809 -17.663 -9.268 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.810 -16.718 -8.184 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.639 -18.080 -8.723 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.179 -18.353 -11.297 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.053 -19.624 -12.159 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.740 -19.696 -9.826 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.085 -20.386 -11.314 1.00 0.00 H new ATOM 536 N ASP A 36 -3.829 -13.179 -7.512 1.00 0.00 N ATOM 537 CA ASP A 36 -4.453 -12.930 -6.224 1.00 0.00 C ATOM 538 C ASP A 36 -5.563 -11.890 -6.392 1.00 0.00 C ATOM 539 O ASP A 36 -6.722 -12.157 -6.078 1.00 0.00 O ATOM 540 CB ASP A 36 -3.440 -12.381 -5.218 1.00 0.00 C ATOM 541 CG ASP A 36 -2.190 -13.242 -5.024 1.00 0.00 C ATOM 542 OD1 ASP A 36 -1.081 -12.856 -5.420 1.00 0.00 O ATOM 543 OD2 ASP A 36 -2.392 -14.369 -4.429 1.00 0.00 O ATOM 0 H ASP A 36 -2.811 -13.117 -7.512 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.852 -13.875 -5.855 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.132 -11.387 -5.541 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.935 -12.263 -4.254 1.00 0.00 H new ATOM 549 N LYS A 37 -5.169 -10.726 -6.888 1.00 0.00 N ATOM 550 CA LYS A 37 -6.116 -9.645 -7.102 1.00 0.00 C ATOM 551 C LYS A 37 -7.116 -9.612 -5.944 1.00 0.00 C ATOM 552 O LYS A 37 -8.167 -10.247 -6.009 1.00 0.00 O ATOM 553 CB LYS A 37 -6.772 -9.772 -8.478 1.00 0.00 C ATOM 554 CG LYS A 37 -7.724 -8.603 -8.741 1.00 0.00 C ATOM 555 CD LYS A 37 -8.917 -9.048 -9.589 1.00 0.00 C ATOM 556 CE LYS A 37 -10.092 -8.081 -9.432 1.00 0.00 C ATOM 557 NZ LYS A 37 -11.234 -8.512 -10.270 1.00 0.00 N ATOM 0 H LYS A 37 -4.207 -10.508 -7.148 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.602 -8.684 -7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.003 -9.801 -9.250 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.320 -10.712 -8.538 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.078 -8.197 -7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.189 -7.802 -9.251 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.623 -9.101 -10.637 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.225 -10.051 -9.293 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.397 -8.037 -8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.783 -7.075 -9.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.023 -7.845 -10.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.944 -8.531 -11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.538 -9.463 -9.979 1.00 0.00 H new ATOM 570 N GLY A 38 -6.752 -8.865 -4.912 1.00 0.00 N ATOM 571 CA GLY A 38 -7.605 -8.741 -3.741 1.00 0.00 C ATOM 572 C GLY A 38 -6.858 -9.159 -2.473 1.00 0.00 C ATOM 573 O GLY A 38 -7.433 -9.797 -1.592 1.00 0.00 O ATOM 0 H GLY A 38 -5.879 -8.340 -4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.947 -7.711 -3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.493 -9.361 -3.866 1.00 0.00 H new ATOM 577 N ARG A 39 -5.589 -8.782 -2.420 1.00 0.00 N ATOM 578 CA ARG A 39 -4.758 -9.110 -1.274 1.00 0.00 C ATOM 579 C ARG A 39 -4.295 -7.832 -0.571 1.00 0.00 C ATOM 580 O ARG A 39 -3.544 -7.043 -1.143 1.00 0.00 O ATOM 581 CB ARG A 39 -3.534 -9.925 -1.696 1.00 0.00 C ATOM 582 CG ARG A 39 -2.972 -10.722 -0.517 1.00 0.00 C ATOM 583 CD ARG A 39 -3.502 -12.157 -0.524 1.00 0.00 C ATOM 584 NE ARG A 39 -2.736 -12.984 0.435 1.00 0.00 N ATOM 585 CZ ARG A 39 -3.219 -14.095 1.030 1.00 0.00 C ATOM 586 NH1 ARG A 39 -4.472 -14.524 0.769 1.00 0.00 N ATOM 587 NH2 ARG A 39 -2.447 -14.757 1.872 1.00 0.00 N ATOM 0 H ARG A 39 -5.116 -8.252 -3.152 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.359 -9.708 -0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.806 -10.606 -2.503 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.766 -9.258 -2.088 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.883 -10.732 -0.566 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.244 -10.234 0.419 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.559 -12.164 -0.260 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.421 -12.578 -1.526 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.784 -12.696 0.660 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.063 -14.007 0.117 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.828 -15.365 1.224 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.501 -14.427 2.064 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.796 -15.599 2.330 1.00 0.00 H new ATOM 600 N VAL A 40 -4.760 -7.669 0.658 1.00 0.00 N ATOM 601 CA VAL A 40 -4.403 -6.501 1.445 1.00 0.00 C ATOM 602 C VAL A 40 -3.173 -6.821 2.296 1.00 0.00 C ATOM 603 O VAL A 40 -3.139 -7.839 2.986 1.00 0.00 O ATOM 604 CB VAL A 40 -5.603 -6.042 2.276 1.00 0.00 C ATOM 605 CG1 VAL A 40 -6.859 -5.929 1.410 1.00 0.00 C ATOM 606 CG2 VAL A 40 -5.837 -6.980 3.463 1.00 0.00 C ATOM 0 H VAL A 40 -5.381 -8.327 1.129 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.139 -5.668 0.793 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.379 -5.051 2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.697 -5.601 2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.688 -5.204 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.088 -6.901 0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.695 -6.632 4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.030 -7.989 3.097 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.953 -6.988 4.100 1.00 0.00 H new ATOM 616 N ILE A 41 -2.192 -5.934 2.220 1.00 0.00 N ATOM 617 CA ILE A 41 -0.963 -6.110 2.975 1.00 0.00 C ATOM 618 C ILE A 41 -0.579 -4.782 3.632 1.00 0.00 C ATOM 619 O ILE A 41 -1.235 -3.765 3.414 1.00 0.00 O ATOM 620 CB ILE A 41 0.134 -6.696 2.084 1.00 0.00 C ATOM 621 CG1 ILE A 41 0.474 -5.744 0.936 1.00 0.00 C ATOM 622 CG2 ILE A 41 -0.254 -8.087 1.580 1.00 0.00 C ATOM 623 CD1 ILE A 41 1.871 -6.031 0.382 1.00 0.00 C ATOM 0 H ILE A 41 -2.223 -5.091 1.647 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.109 -6.833 3.778 1.00 0.00 H new ATOM 0 HB ILE A 41 1.037 -6.812 2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.265 -5.848 0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.422 -4.713 1.286 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.543 -8.481 0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.406 -8.752 2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.175 -8.020 1.001 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.088 -5.341 -0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.610 -5.902 1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.912 -7.055 0.011 1.00 0.00 H new ATOM 635 N ARG A 42 0.483 -4.835 4.422 1.00 0.00 N ATOM 636 CA ARG A 42 0.963 -3.650 5.112 1.00 0.00 C ATOM 637 C ARG A 42 2.419 -3.369 4.735 1.00 0.00 C ATOM 638 O ARG A 42 3.329 -4.041 5.218 1.00 0.00 O ATOM 639 CB ARG A 42 0.859 -3.815 6.629 1.00 0.00 C ATOM 640 CG ARG A 42 1.442 -5.157 7.076 1.00 0.00 C ATOM 641 CD ARG A 42 0.332 -6.180 7.331 1.00 0.00 C ATOM 642 NE ARG A 42 0.632 -6.959 8.552 1.00 0.00 N ATOM 643 CZ ARG A 42 -0.245 -7.788 9.156 1.00 0.00 C ATOM 644 NH1 ARG A 42 -1.488 -7.952 8.655 1.00 0.00 N ATOM 645 NH2 ARG A 42 0.130 -8.435 10.244 1.00 0.00 N ATOM 0 H ARG A 42 1.025 -5.681 4.600 1.00 0.00 H new ATOM 0 HA ARG A 42 0.337 -2.812 4.806 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.389 -3.001 7.124 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.185 -3.748 6.935 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.121 -5.535 6.312 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.029 -5.018 7.984 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.625 -5.670 7.441 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.240 -6.850 6.476 1.00 0.00 H new ATOM 0 HE ARG A 42 1.560 -6.864 8.964 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.770 -7.448 7.814 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.145 -8.580 9.117 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.071 -8.305 10.616 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.521 -9.065 10.712 1.00 0.00 H new ATOM 658 N ARG A 43 2.594 -2.376 3.876 1.00 0.00 N ATOM 659 CA ARG A 43 3.924 -1.998 3.429 1.00 0.00 C ATOM 660 C ARG A 43 4.420 -0.779 4.209 1.00 0.00 C ATOM 661 O ARG A 43 3.650 0.138 4.490 1.00 0.00 O ATOM 662 CB ARG A 43 3.931 -1.676 1.934 1.00 0.00 C ATOM 663 CG ARG A 43 4.331 -2.902 1.110 1.00 0.00 C ATOM 664 CD ARG A 43 5.852 -2.991 0.963 1.00 0.00 C ATOM 665 NE ARG A 43 6.450 -3.535 2.202 1.00 0.00 N ATOM 666 CZ ARG A 43 7.742 -3.370 2.555 1.00 0.00 C ATOM 667 NH1 ARG A 43 8.585 -2.672 1.764 1.00 0.00 N ATOM 668 NH2 ARG A 43 8.170 -3.900 3.686 1.00 0.00 N ATOM 0 H ARG A 43 1.837 -1.821 3.477 1.00 0.00 H new ATOM 0 HA ARG A 43 4.588 -2.844 3.610 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.942 -1.334 1.627 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.626 -0.859 1.738 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.955 -3.806 1.590 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.869 -2.849 0.124 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.107 -3.628 0.116 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.264 -2.004 0.754 1.00 0.00 H new ATOM 0 HE ARG A 43 5.848 -4.068 2.829 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.247 -2.265 0.892 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.560 -2.552 2.038 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.527 -4.425 4.279 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.144 -3.784 3.967 1.00 0.00 H new ATOM 681 N ASN A 44 5.703 -0.809 4.538 1.00 0.00 N ATOM 682 CA ASN A 44 6.311 0.283 5.280 1.00 0.00 C ATOM 683 C ASN A 44 7.242 1.067 4.354 1.00 0.00 C ATOM 684 O ASN A 44 8.115 0.487 3.709 1.00 0.00 O ATOM 685 CB ASN A 44 7.142 -0.244 6.451 1.00 0.00 C ATOM 686 CG ASN A 44 8.421 -0.921 5.955 1.00 0.00 C ATOM 687 OD1 ASN A 44 8.398 -1.829 5.140 1.00 0.00 O ATOM 688 ND2 ASN A 44 9.536 -0.430 6.490 1.00 0.00 N ATOM 0 H ASN A 44 6.338 -1.572 4.305 1.00 0.00 H new ATOM 0 HA ASN A 44 5.512 0.918 5.662 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.397 0.578 7.119 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.552 -0.954 7.030 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.442 -0.815 6.223 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.485 0.331 7.167 1.00 0.00 H new ATOM 695 N VAL A 45 7.025 2.374 4.317 1.00 0.00 N ATOM 696 CA VAL A 45 7.835 3.244 3.480 1.00 0.00 C ATOM 697 C VAL A 45 7.988 4.603 4.165 1.00 0.00 C ATOM 698 O VAL A 45 7.268 4.910 5.114 1.00 0.00 O ATOM 699 CB VAL A 45 7.222 3.344 2.082 1.00 0.00 C ATOM 700 CG1 VAL A 45 7.959 4.381 1.233 1.00 0.00 C ATOM 701 CG2 VAL A 45 7.207 1.979 1.391 1.00 0.00 C ATOM 0 H VAL A 45 6.300 2.852 4.853 1.00 0.00 H new ATOM 0 HA VAL A 45 8.835 2.830 3.352 1.00 0.00 H new ATOM 0 HB VAL A 45 6.189 3.675 2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.503 4.432 0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.894 5.357 1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.006 4.094 1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.766 2.078 0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.227 1.606 1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.617 1.279 1.982 1.00 0.00 H new ATOM 711 N ARG A 46 8.931 5.383 3.656 1.00 0.00 N ATOM 712 CA ARG A 46 9.188 6.703 4.206 1.00 0.00 C ATOM 713 C ARG A 46 8.328 7.750 3.496 1.00 0.00 C ATOM 714 O ARG A 46 8.222 7.745 2.271 1.00 0.00 O ATOM 715 CB ARG A 46 10.664 7.082 4.062 1.00 0.00 C ATOM 716 CG ARG A 46 11.571 5.934 4.509 1.00 0.00 C ATOM 717 CD ARG A 46 12.377 6.324 5.750 1.00 0.00 C ATOM 718 NE ARG A 46 13.641 6.979 5.347 1.00 0.00 N ATOM 719 CZ ARG A 46 14.775 6.313 5.042 1.00 0.00 C ATOM 720 NH1 ARG A 46 14.813 4.965 5.093 1.00 0.00 N ATOM 721 NH2 ARG A 46 15.847 7.001 4.695 1.00 0.00 N ATOM 0 H ARG A 46 9.526 5.126 2.869 1.00 0.00 H new ATOM 0 HA ARG A 46 8.933 6.676 5.265 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.878 7.336 3.024 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.875 7.970 4.658 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.968 5.052 4.725 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.250 5.666 3.700 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.792 6.998 6.377 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.591 5.438 6.348 1.00 0.00 H new ATOM 0 HE ARG A 46 13.657 7.998 5.296 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.981 4.441 5.364 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.674 4.470 4.861 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.810 8.020 4.661 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.712 6.514 4.461 1.00 0.00 H new ATOM 734 N GLY A 47 7.735 8.624 4.297 1.00 0.00 N ATOM 735 CA GLY A 47 6.888 9.675 3.761 1.00 0.00 C ATOM 736 C GLY A 47 5.409 9.357 3.989 1.00 0.00 C ATOM 737 O GLY A 47 5.058 8.227 4.325 1.00 0.00 O ATOM 0 H GLY A 47 7.825 8.625 5.313 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.137 10.625 4.235 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.078 9.792 2.694 1.00 0.00 H new ATOM 741 N PRO A 48 4.559 10.400 3.793 1.00 0.00 N ATOM 742 CA PRO A 48 3.126 10.243 3.973 1.00 0.00 C ATOM 743 C PRO A 48 2.507 9.474 2.804 1.00 0.00 C ATOM 744 O PRO A 48 3.215 8.809 2.050 1.00 0.00 O ATOM 745 CB PRO A 48 2.588 11.659 4.104 1.00 0.00 C ATOM 746 CG PRO A 48 3.663 12.567 3.530 1.00 0.00 C ATOM 747 CD PRO A 48 4.939 11.753 3.395 1.00 0.00 C ATOM 0 HA PRO A 48 2.875 9.653 4.854 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.650 11.772 3.561 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.385 11.905 5.146 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.355 12.957 2.560 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.825 13.425 4.182 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.316 11.774 2.372 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.729 12.147 4.034 1.00 0.00 H new ATOM 755 N VAL A 49 1.192 9.591 2.690 1.00 0.00 N ATOM 756 CA VAL A 49 0.470 8.915 1.626 1.00 0.00 C ATOM 757 C VAL A 49 -0.979 9.405 1.608 1.00 0.00 C ATOM 758 O VAL A 49 -1.405 10.128 2.507 1.00 0.00 O ATOM 759 CB VAL A 49 0.587 7.399 1.795 1.00 0.00 C ATOM 760 CG1 VAL A 49 -0.250 6.914 2.980 1.00 0.00 C ATOM 761 CG2 VAL A 49 0.190 6.672 0.509 1.00 0.00 C ATOM 0 H VAL A 49 0.608 10.144 3.317 1.00 0.00 H new ATOM 0 HA VAL A 49 0.906 9.155 0.656 1.00 0.00 H new ATOM 0 HB VAL A 49 1.631 7.164 2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.149 5.833 3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.099 7.395 3.893 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.297 7.167 2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.282 5.596 0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.842 6.917 0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.846 6.985 -0.303 1.00 0.00 H new ATOM 771 N ARG A 50 -1.697 8.991 0.574 1.00 0.00 N ATOM 772 CA ARG A 50 -3.090 9.378 0.427 1.00 0.00 C ATOM 773 C ARG A 50 -3.880 8.266 -0.264 1.00 0.00 C ATOM 774 O ARG A 50 -3.476 7.774 -1.317 1.00 0.00 O ATOM 775 CB ARG A 50 -3.220 10.668 -0.386 1.00 0.00 C ATOM 776 CG ARG A 50 -2.205 11.714 0.078 1.00 0.00 C ATOM 777 CD ARG A 50 -2.137 12.886 -0.903 1.00 0.00 C ATOM 778 NE ARG A 50 -0.942 13.713 -0.622 1.00 0.00 N ATOM 779 CZ ARG A 50 -0.341 14.507 -1.533 1.00 0.00 C ATOM 780 NH1 ARG A 50 -0.819 14.589 -2.793 1.00 0.00 N ATOM 781 NH2 ARG A 50 0.722 15.203 -1.173 1.00 0.00 N ATOM 0 H ARG A 50 -1.340 8.391 -0.170 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.494 9.548 1.425 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.067 10.452 -1.444 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.230 11.066 -0.284 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.480 12.079 1.067 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.221 11.255 0.170 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.098 12.513 -1.926 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.038 13.494 -0.819 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.548 13.681 0.318 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.641 14.048 -3.063 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.358 15.192 -3.475 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.077 15.136 -0.219 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.188 15.808 -1.849 1.00 0.00 H new ATOM 794 N VAL A 51 -4.993 7.901 0.356 1.00 0.00 N ATOM 795 CA VAL A 51 -5.844 6.855 -0.186 1.00 0.00 C ATOM 796 C VAL A 51 -5.927 7.009 -1.706 1.00 0.00 C ATOM 797 O VAL A 51 -6.335 8.056 -2.206 1.00 0.00 O ATOM 798 CB VAL A 51 -7.214 6.890 0.494 1.00 0.00 C ATOM 799 CG1 VAL A 51 -8.153 5.845 -0.111 1.00 0.00 C ATOM 800 CG2 VAL A 51 -7.080 6.696 2.006 1.00 0.00 C ATOM 0 H VAL A 51 -5.325 8.311 1.229 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.420 5.872 0.019 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.650 7.874 0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.120 5.891 0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.285 6.047 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.724 4.852 0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.068 6.725 2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.613 5.732 2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.463 7.493 2.422 1.00 0.00 H new ATOM 810 N GLY A 52 -5.535 5.950 -2.399 1.00 0.00 N ATOM 811 CA GLY A 52 -5.561 5.954 -3.851 1.00 0.00 C ATOM 812 C GLY A 52 -4.182 5.622 -4.425 1.00 0.00 C ATOM 813 O GLY A 52 -4.078 5.027 -5.497 1.00 0.00 O ATOM 0 H GLY A 52 -5.197 5.083 -1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.292 5.228 -4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.882 6.932 -4.210 1.00 0.00 H new ATOM 817 N ASP A 53 -3.157 6.022 -3.686 1.00 0.00 N ATOM 818 CA ASP A 53 -1.789 5.774 -4.108 1.00 0.00 C ATOM 819 C ASP A 53 -1.673 4.342 -4.632 1.00 0.00 C ATOM 820 O ASP A 53 -2.400 3.454 -4.190 1.00 0.00 O ATOM 821 CB ASP A 53 -0.815 5.930 -2.938 1.00 0.00 C ATOM 822 CG ASP A 53 0.515 6.598 -3.288 1.00 0.00 C ATOM 823 OD1 ASP A 53 1.331 6.043 -4.040 1.00 0.00 O ATOM 824 OD2 ASP A 53 0.704 7.754 -2.748 1.00 0.00 O ATOM 0 H ASP A 53 -3.247 6.516 -2.798 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.539 6.497 -4.884 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.302 6.512 -2.155 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.610 4.944 -2.521 1.00 0.00 H new ATOM 830 N ILE A 54 -0.752 4.161 -5.568 1.00 0.00 N ATOM 831 CA ILE A 54 -0.531 2.852 -6.158 1.00 0.00 C ATOM 832 C ILE A 54 0.973 2.590 -6.258 1.00 0.00 C ATOM 833 O ILE A 54 1.742 3.489 -6.593 1.00 0.00 O ATOM 834 CB ILE A 54 -1.266 2.735 -7.495 1.00 0.00 C ATOM 835 CG1 ILE A 54 -2.779 2.653 -7.284 1.00 0.00 C ATOM 836 CG2 ILE A 54 -0.736 1.555 -8.311 1.00 0.00 C ATOM 837 CD1 ILE A 54 -3.532 2.996 -8.571 1.00 0.00 C ATOM 0 H ILE A 54 -0.150 4.900 -5.932 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.949 2.072 -5.522 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.070 3.639 -8.072 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.050 1.649 -6.956 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.077 3.339 -6.491 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.275 1.495 -9.256 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.327 1.697 -8.508 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.881 0.631 -7.751 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.605 2.930 -8.393 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.277 4.009 -8.883 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.250 2.294 -9.356 1.00 0.00 H new ATOM 849 N LEU A 55 1.346 1.354 -5.962 1.00 0.00 N ATOM 850 CA LEU A 55 2.745 0.962 -6.014 1.00 0.00 C ATOM 851 C LEU A 55 2.838 -0.552 -6.215 1.00 0.00 C ATOM 852 O LEU A 55 2.089 -1.311 -5.601 1.00 0.00 O ATOM 853 CB LEU A 55 3.489 1.465 -4.776 1.00 0.00 C ATOM 854 CG LEU A 55 4.282 2.762 -4.951 1.00 0.00 C ATOM 855 CD1 LEU A 55 4.080 3.694 -3.755 1.00 0.00 C ATOM 856 CD2 LEU A 55 5.762 2.469 -5.206 1.00 0.00 C ATOM 0 H LEU A 55 0.705 0.611 -5.685 1.00 0.00 H new ATOM 0 HA LEU A 55 3.240 1.428 -6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.764 1.611 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.175 0.685 -4.447 1.00 0.00 H new ATOM 0 HG LEU A 55 3.900 3.280 -5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.654 4.608 -3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.023 3.941 -3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.419 3.198 -2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.303 3.407 -5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.175 1.918 -4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.864 1.872 -6.112 1.00 0.00 H new ATOM 868 N ILE A 56 3.765 -0.947 -7.076 1.00 0.00 N ATOM 869 CA ILE A 56 3.966 -2.356 -7.365 1.00 0.00 C ATOM 870 C ILE A 56 4.948 -2.945 -6.350 1.00 0.00 C ATOM 871 O ILE A 56 5.860 -2.258 -5.892 1.00 0.00 O ATOM 872 CB ILE A 56 4.397 -2.549 -8.820 1.00 0.00 C ATOM 873 CG1 ILE A 56 3.836 -1.437 -9.709 1.00 0.00 C ATOM 874 CG2 ILE A 56 4.009 -3.939 -9.327 1.00 0.00 C ATOM 875 CD1 ILE A 56 3.905 -1.829 -11.187 1.00 0.00 C ATOM 0 H ILE A 56 4.385 -0.315 -7.583 1.00 0.00 H new ATOM 0 HA ILE A 56 3.030 -2.904 -7.259 1.00 0.00 H new ATOM 0 HB ILE A 56 5.484 -2.482 -8.867 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.802 -1.231 -9.432 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.399 -0.518 -9.546 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.327 -4.050 -10.364 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.496 -4.698 -8.715 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.928 -4.060 -9.264 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.500 -1.021 -11.797 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.943 -2.010 -11.467 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.321 -2.735 -11.351 1.00 0.00 H new ATOM 887 N LEU A 57 4.729 -4.212 -6.028 1.00 0.00 N ATOM 888 CA LEU A 57 5.583 -4.901 -5.076 1.00 0.00 C ATOM 889 C LEU A 57 6.366 -5.998 -5.801 1.00 0.00 C ATOM 890 O LEU A 57 5.927 -7.146 -5.855 1.00 0.00 O ATOM 891 CB LEU A 57 4.761 -5.412 -3.891 1.00 0.00 C ATOM 892 CG LEU A 57 4.235 -4.344 -2.930 1.00 0.00 C ATOM 893 CD1 LEU A 57 5.339 -3.356 -2.550 1.00 0.00 C ATOM 894 CD2 LEU A 57 3.009 -3.638 -3.513 1.00 0.00 C ATOM 0 H LEU A 57 3.972 -4.779 -6.410 1.00 0.00 H new ATOM 0 HA LEU A 57 6.315 -4.213 -4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.911 -5.974 -4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.374 -6.113 -3.324 1.00 0.00 H new ATOM 0 HG LEU A 57 3.916 -4.838 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.938 -2.608 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.155 -3.891 -2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.712 -2.864 -3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.655 -2.884 -2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.278 -3.159 -4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.219 -4.368 -3.690 1.00 0.00 H new ATOM 906 N ARG A 58 7.511 -5.606 -6.340 1.00 0.00 N ATOM 907 CA ARG A 58 8.359 -6.542 -7.058 1.00 0.00 C ATOM 908 C ARG A 58 8.938 -7.581 -6.096 1.00 0.00 C ATOM 909 O ARG A 58 9.328 -8.670 -6.514 1.00 0.00 O ATOM 910 CB ARG A 58 9.505 -5.816 -7.764 1.00 0.00 C ATOM 911 CG ARG A 58 10.349 -5.022 -6.765 1.00 0.00 C ATOM 912 CD ARG A 58 11.760 -5.603 -6.654 1.00 0.00 C ATOM 913 NE ARG A 58 12.694 -4.833 -7.505 1.00 0.00 N ATOM 914 CZ ARG A 58 13.125 -3.586 -7.218 1.00 0.00 C ATOM 915 NH1 ARG A 58 12.709 -2.957 -6.098 1.00 0.00 N ATOM 916 NH2 ARG A 58 13.960 -2.991 -8.050 1.00 0.00 N ATOM 0 H ARG A 58 7.871 -4.653 -6.294 1.00 0.00 H new ATOM 0 HA ARG A 58 7.743 -7.040 -7.807 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.134 -6.540 -8.283 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.102 -5.143 -8.521 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.405 -3.980 -7.079 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.869 -5.035 -5.787 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.093 -5.575 -5.617 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.756 -6.649 -6.959 1.00 0.00 H new ATOM 0 HE ARG A 58 13.033 -5.271 -8.361 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.064 -3.424 -5.461 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.040 -2.015 -5.889 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.269 -3.473 -8.894 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.296 -2.049 -7.849 1.00 0.00 H new ATOM 929 N GLU A 59 8.975 -7.208 -4.825 1.00 0.00 N ATOM 930 CA GLU A 59 9.500 -8.094 -3.800 1.00 0.00 C ATOM 931 C GLU A 59 8.821 -7.813 -2.458 1.00 0.00 C ATOM 932 O GLU A 59 8.378 -8.737 -1.777 1.00 0.00 O ATOM 933 CB GLU A 59 11.019 -7.960 -3.685 1.00 0.00 C ATOM 934 CG GLU A 59 11.643 -9.244 -3.132 1.00 0.00 C ATOM 935 CD GLU A 59 12.916 -9.609 -3.898 1.00 0.00 C ATOM 936 OE1 GLU A 59 14.000 -9.681 -3.300 1.00 0.00 O ATOM 937 OE2 GLU A 59 12.751 -9.822 -5.160 1.00 0.00 O ATOM 0 H GLU A 59 8.650 -6.304 -4.482 1.00 0.00 H new ATOM 0 HA GLU A 59 9.280 -9.122 -4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.443 -7.738 -4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.265 -7.122 -3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.875 -9.114 -2.075 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.925 -10.061 -3.202 1.00 0.00 H new ATOM 945 N THR A 60 8.762 -6.534 -2.117 1.00 0.00 N ATOM 946 CA THR A 60 8.145 -6.120 -0.869 1.00 0.00 C ATOM 947 C THR A 60 9.114 -6.324 0.298 1.00 0.00 C ATOM 948 O THR A 60 8.801 -5.980 1.437 1.00 0.00 O ATOM 949 CB THR A 60 6.833 -6.891 -0.711 1.00 0.00 C ATOM 950 OG1 THR A 60 5.930 -5.932 -0.168 1.00 0.00 O ATOM 951 CG2 THR A 60 6.917 -7.975 0.366 1.00 0.00 C ATOM 0 H THR A 60 9.132 -5.771 -2.684 1.00 0.00 H new ATOM 0 HA THR A 60 7.914 -5.055 -0.877 1.00 0.00 H new ATOM 0 HB THR A 60 6.563 -7.346 -1.664 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.053 -6.348 -0.035 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.960 -8.492 0.438 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.697 -8.690 0.103 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.154 -7.517 1.326 1.00 0.00 H new ATOM 959 N GLU A 61 10.271 -6.882 -0.026 1.00 0.00 N ATOM 960 CA GLU A 61 11.287 -7.136 0.981 1.00 0.00 C ATOM 961 C GLU A 61 10.667 -7.820 2.201 1.00 0.00 C ATOM 962 O GLU A 61 9.483 -8.153 2.195 1.00 0.00 O ATOM 963 CB GLU A 61 11.998 -5.842 1.380 1.00 0.00 C ATOM 964 CG GLU A 61 12.786 -5.262 0.203 1.00 0.00 C ATOM 965 CD GLU A 61 13.642 -4.075 0.648 1.00 0.00 C ATOM 966 OE1 GLU A 61 13.656 -3.732 1.839 1.00 0.00 O ATOM 967 OE2 GLU A 61 14.310 -3.501 -0.295 1.00 0.00 O ATOM 0 H GLU A 61 10.527 -7.165 -0.972 1.00 0.00 H new ATOM 0 HA GLU A 61 12.034 -7.806 0.555 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.266 -5.113 1.726 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.673 -6.036 2.213 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.424 -6.034 -0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 61 12.097 -4.945 -0.580 1.00 0.00 H new ATOM 975 N ARG A 62 11.495 -8.009 3.218 1.00 0.00 N ATOM 976 CA ARG A 62 11.042 -8.648 4.442 1.00 0.00 C ATOM 977 C ARG A 62 11.837 -8.122 5.640 1.00 0.00 C ATOM 978 O ARG A 62 11.263 -7.561 6.571 1.00 0.00 O ATOM 979 CB ARG A 62 11.200 -10.167 4.362 1.00 0.00 C ATOM 980 CG ARG A 62 10.467 -10.857 5.514 1.00 0.00 C ATOM 981 CD ARG A 62 11.162 -12.163 5.903 1.00 0.00 C ATOM 982 NE ARG A 62 10.505 -13.306 5.230 1.00 0.00 N ATOM 983 CZ ARG A 62 11.095 -14.501 5.017 1.00 0.00 C ATOM 984 NH1 ARG A 62 12.363 -14.721 5.425 1.00 0.00 N ATOM 985 NH2 ARG A 62 10.414 -15.452 4.405 1.00 0.00 N ATOM 0 H ARG A 62 12.476 -7.731 3.220 1.00 0.00 H new ATOM 0 HA ARG A 62 9.986 -8.411 4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.809 -10.527 3.410 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.258 -10.428 4.391 1.00 0.00 H new ATOM 0 HG2 ARG A 62 10.428 -10.191 6.376 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.437 -11.062 5.223 1.00 0.00 H new ATOM 0 HD2 ARG A 62 12.215 -12.122 5.623 1.00 0.00 H new ATOM 0 HD3 ARG A 62 11.125 -12.296 6.984 1.00 0.00 H new ATOM 0 HE ARG A 62 9.545 -13.183 4.907 1.00 0.00 H new ATOM 0 HH11 ARG A 62 12.882 -13.981 5.898 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.802 -15.627 5.260 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.456 -15.278 4.101 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.846 -16.361 4.237 1.00 0.00 H new ATOM 998 N GLU A 63 13.145 -8.323 5.576 1.00 0.00 N ATOM 999 CA GLU A 63 14.024 -7.877 6.643 1.00 0.00 C ATOM 1000 C GLU A 63 13.723 -8.642 7.933 1.00 0.00 C ATOM 1001 O GLU A 63 13.046 -8.127 8.822 1.00 0.00 O ATOM 1002 CB GLU A 63 13.900 -6.367 6.860 1.00 0.00 C ATOM 1003 CG GLU A 63 15.163 -5.641 6.393 1.00 0.00 C ATOM 1004 CD GLU A 63 14.810 -4.416 5.547 1.00 0.00 C ATOM 1005 OE1 GLU A 63 13.693 -3.888 5.655 1.00 0.00 O ATOM 1006 OE2 GLU A 63 15.744 -4.013 4.754 1.00 0.00 O ATOM 0 H GLU A 63 13.617 -8.789 4.801 1.00 0.00 H new ATOM 0 HA GLU A 63 15.053 -8.086 6.351 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.036 -5.987 6.315 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.727 -6.161 7.916 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.751 -5.333 7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.784 -6.322 5.812 1.00 0.00 H new ATOM 1014 N ALA A 64 14.241 -9.860 7.995 1.00 0.00 N ATOM 1015 CA ALA A 64 14.037 -10.702 9.162 1.00 0.00 C ATOM 1016 C ALA A 64 15.282 -10.647 10.049 1.00 0.00 C ATOM 1017 O ALA A 64 15.899 -11.675 10.324 1.00 0.00 O ATOM 1018 CB ALA A 64 13.704 -12.126 8.712 1.00 0.00 C ATOM 0 H ALA A 64 14.802 -10.284 7.256 1.00 0.00 H new ATOM 0 HA ALA A 64 13.195 -10.342 9.753 1.00 0.00 H new ATOM 0 HB1 ALA A 64 13.551 -12.758 9.587 1.00 0.00 H new ATOM 0 HB2 ALA A 64 12.796 -12.114 8.110 1.00 0.00 H new ATOM 0 HB3 ALA A 64 14.528 -12.522 8.118 1.00 0.00 H new ATOM 1024 N ARG A 65 15.615 -9.437 10.473 1.00 0.00 N ATOM 1025 CA ARG A 65 16.775 -9.234 11.324 1.00 0.00 C ATOM 1026 C ARG A 65 16.686 -10.126 12.564 1.00 0.00 C ATOM 1027 O ARG A 65 17.554 -10.968 12.791 1.00 0.00 O ATOM 1028 CB ARG A 65 16.889 -7.773 11.762 1.00 0.00 C ATOM 1029 CG ARG A 65 17.283 -6.877 10.585 1.00 0.00 C ATOM 1030 CD ARG A 65 17.905 -5.568 11.077 1.00 0.00 C ATOM 1031 NE ARG A 65 19.381 -5.679 11.081 1.00 0.00 N ATOM 1032 CZ ARG A 65 20.144 -5.656 9.968 1.00 0.00 C ATOM 1033 NH1 ARG A 65 19.577 -5.527 8.750 1.00 0.00 N ATOM 1034 NH2 ARG A 65 21.454 -5.763 10.089 1.00 0.00 N ATOM 0 H ARG A 65 15.101 -8.586 10.243 1.00 0.00 H new ATOM 0 HA ARG A 65 17.660 -9.497 10.745 1.00 0.00 H new ATOM 0 HB2 ARG A 65 15.938 -7.438 12.176 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.631 -7.684 12.556 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.991 -7.402 9.945 1.00 0.00 H new ATOM 0 HG3 ARG A 65 16.404 -6.661 9.978 1.00 0.00 H new ATOM 0 HD2 ARG A 65 17.596 -4.744 10.433 1.00 0.00 H new ATOM 0 HD3 ARG A 65 17.546 -5.340 12.081 1.00 0.00 H new ATOM 0 HE ARG A 65 19.851 -5.779 11.981 1.00 0.00 H new ATOM 0 HH11 ARG A 65 18.564 -5.446 8.665 1.00 0.00 H new ATOM 0 HH12 ARG A 65 20.162 -5.511 7.914 1.00 0.00 H new ATOM 0 HH21 ARG A 65 21.874 -5.861 11.013 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.046 -5.748 9.258 1.00 0.00 H new ATOM 1047 N GLU A 66 15.629 -9.910 13.334 1.00 0.00 N ATOM 1048 CA GLU A 66 15.416 -10.684 14.545 1.00 0.00 C ATOM 1049 C GLU A 66 16.572 -10.468 15.523 1.00 0.00 C ATOM 1050 O GLU A 66 17.321 -11.398 15.820 1.00 0.00 O ATOM 1051 CB GLU A 66 15.239 -12.169 14.223 1.00 0.00 C ATOM 1052 CG GLU A 66 14.471 -12.884 15.337 1.00 0.00 C ATOM 1053 CD GLU A 66 12.997 -13.054 14.965 1.00 0.00 C ATOM 1054 OE1 GLU A 66 12.190 -12.142 15.198 1.00 0.00 O ATOM 1055 OE2 GLU A 66 12.700 -14.182 14.414 1.00 0.00 O ATOM 0 H GLU A 66 14.912 -9.211 13.143 1.00 0.00 H new ATOM 0 HA GLU A 66 14.497 -10.337 15.018 1.00 0.00 H new ATOM 0 HB2 GLU A 66 14.704 -12.279 13.279 1.00 0.00 H new ATOM 0 HB3 GLU A 66 16.215 -12.635 14.092 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.918 -13.861 15.523 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.553 -12.315 16.263 1.00 0.00 H new ATOM 1063 N ILE A 67 16.683 -9.236 15.998 1.00 0.00 N ATOM 1064 CA ILE A 67 17.735 -8.887 16.936 1.00 0.00 C ATOM 1065 C ILE A 67 17.897 -10.015 17.957 1.00 0.00 C ATOM 1066 O ILE A 67 16.996 -10.269 18.755 1.00 0.00 O ATOM 1067 CB ILE A 67 17.459 -7.521 17.568 1.00 0.00 C ATOM 1068 CG1 ILE A 67 18.639 -7.066 18.429 1.00 0.00 C ATOM 1069 CG2 ILE A 67 16.147 -7.536 18.355 1.00 0.00 C ATOM 1070 CD1 ILE A 67 19.610 -6.206 17.618 1.00 0.00 C ATOM 0 H ILE A 67 16.061 -8.467 15.750 1.00 0.00 H new ATOM 0 HA ILE A 67 18.689 -8.786 16.418 1.00 0.00 H new ATOM 0 HB ILE A 67 17.345 -6.791 16.767 1.00 0.00 H new ATOM 0 HG12 ILE A 67 18.272 -6.498 19.284 1.00 0.00 H new ATOM 0 HG13 ILE A 67 19.162 -7.937 18.825 1.00 0.00 H new ATOM 0 HG21 ILE A 67 15.975 -6.553 18.794 1.00 0.00 H new ATOM 0 HG22 ILE A 67 15.324 -7.784 17.685 1.00 0.00 H new ATOM 0 HG23 ILE A 67 16.207 -8.282 19.148 1.00 0.00 H new ATOM 0 HD11 ILE A 67 20.439 -5.896 18.254 1.00 0.00 H new ATOM 0 HD12 ILE A 67 19.993 -6.784 16.777 1.00 0.00 H new ATOM 0 HD13 ILE A 67 19.090 -5.324 17.244 1.00 0.00 H new ATOM 1082 N LYS A 68 19.052 -10.661 17.899 1.00 0.00 N ATOM 1083 CA LYS A 68 19.344 -11.756 18.808 1.00 0.00 C ATOM 1084 C LYS A 68 19.317 -11.239 20.248 1.00 0.00 C ATOM 1085 O LYS A 68 18.907 -11.953 21.161 1.00 0.00 O ATOM 1086 CB LYS A 68 20.659 -12.437 18.424 1.00 0.00 C ATOM 1087 CG LYS A 68 20.421 -13.552 17.403 1.00 0.00 C ATOM 1088 CD LYS A 68 21.248 -13.321 16.137 1.00 0.00 C ATOM 1089 CE LYS A 68 20.488 -13.789 14.894 1.00 0.00 C ATOM 1090 NZ LYS A 68 20.810 -15.201 14.589 1.00 0.00 N ATOM 0 H LYS A 68 19.797 -10.447 17.236 1.00 0.00 H new ATOM 0 HA LYS A 68 18.578 -12.528 18.731 1.00 0.00 H new ATOM 0 HB2 LYS A 68 21.347 -11.700 18.009 1.00 0.00 H new ATOM 0 HB3 LYS A 68 21.133 -12.850 19.315 1.00 0.00 H new ATOM 0 HG2 LYS A 68 20.683 -14.514 17.842 1.00 0.00 H new ATOM 0 HG3 LYS A 68 19.362 -13.596 17.147 1.00 0.00 H new ATOM 0 HD2 LYS A 68 21.489 -12.262 16.043 1.00 0.00 H new ATOM 0 HD3 LYS A 68 22.194 -13.857 16.213 1.00 0.00 H new ATOM 0 HE2 LYS A 68 19.415 -13.681 15.055 1.00 0.00 H new ATOM 0 HE3 LYS A 68 20.748 -13.159 14.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 20.286 -15.502 13.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 21.831 -15.294 14.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 20.540 -15.801 15.395 1.00 0.00 H new ATOM 1103 N SER A 69 19.761 -10.000 20.406 1.00 0.00 N ATOM 1104 CA SER A 69 19.793 -9.378 21.719 1.00 0.00 C ATOM 1105 C SER A 69 18.549 -9.775 22.516 1.00 0.00 C ATOM 1106 O SER A 69 18.658 -10.386 23.578 1.00 0.00 O ATOM 1107 CB SER A 69 19.887 -7.855 21.605 1.00 0.00 C ATOM 1108 OG SER A 69 20.322 -7.255 22.822 1.00 0.00 O ATOM 0 H SER A 69 20.101 -9.410 19.646 1.00 0.00 H new ATOM 0 HA SER A 69 20.681 -9.731 22.243 1.00 0.00 H new ATOM 0 HB2 SER A 69 20.579 -7.593 20.804 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.913 -7.451 21.329 1.00 0.00 H new ATOM 0 HG SER A 69 20.371 -6.283 22.708 1.00 0.00 H new ATOM 1114 N ARG A 70 17.396 -9.411 21.974 1.00 0.00 N ATOM 1115 CA ARG A 70 16.134 -9.722 22.622 1.00 0.00 C ATOM 1116 C ARG A 70 16.243 -9.499 24.132 1.00 0.00 C ATOM 1117 O ARG A 70 16.564 -10.423 24.878 1.00 0.00 O ATOM 1118 CB ARG A 70 15.720 -11.171 22.356 1.00 0.00 C ATOM 1119 CG ARG A 70 14.344 -11.467 22.956 1.00 0.00 C ATOM 1120 CD ARG A 70 13.253 -11.403 21.884 1.00 0.00 C ATOM 1121 NE ARG A 70 12.132 -12.297 22.250 1.00 0.00 N ATOM 1122 CZ ARG A 70 10.858 -12.121 21.836 1.00 0.00 C ATOM 1123 NH1 ARG A 70 10.534 -11.082 21.039 1.00 0.00 N ATOM 1124 NH2 ARG A 70 9.935 -12.982 22.224 1.00 0.00 N ATOM 0 H ARG A 70 17.310 -8.904 21.093 1.00 0.00 H new ATOM 0 HA ARG A 70 15.376 -9.058 22.207 1.00 0.00 H new ATOM 0 HB2 ARG A 70 15.700 -11.356 21.282 1.00 0.00 H new ATOM 0 HB3 ARG A 70 16.460 -11.848 22.782 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.349 -12.455 23.416 1.00 0.00 H new ATOM 0 HG3 ARG A 70 14.125 -10.748 23.746 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.894 -10.379 21.780 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.663 -11.697 20.918 1.00 0.00 H new ATOM 0 HE ARG A 70 12.334 -13.095 22.852 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.253 -10.422 20.744 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.570 -10.957 20.731 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.189 -13.765 22.827 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.968 -12.864 21.921 1.00 0.00 H new ATOM 1137 N ARG A 71 15.969 -8.268 24.537 1.00 0.00 N ATOM 1138 CA ARG A 71 16.033 -7.911 25.944 1.00 0.00 C ATOM 1139 C ARG A 71 14.685 -7.360 26.414 1.00 0.00 C ATOM 1140 O ARG A 71 13.819 -7.050 25.597 1.00 0.00 O ATOM 1141 CB ARG A 71 17.120 -6.866 26.200 1.00 0.00 C ATOM 1142 CG ARG A 71 18.498 -7.398 25.799 1.00 0.00 C ATOM 1143 CD ARG A 71 19.562 -6.988 26.819 1.00 0.00 C ATOM 1144 NE ARG A 71 20.485 -8.117 27.069 1.00 0.00 N ATOM 1145 CZ ARG A 71 21.660 -8.004 27.724 1.00 0.00 C ATOM 1146 NH1 ARG A 71 22.066 -6.807 28.200 1.00 0.00 N ATOM 1147 NH2 ARG A 71 22.406 -9.079 27.891 1.00 0.00 N ATOM 0 H ARG A 71 15.702 -7.505 23.915 1.00 0.00 H new ATOM 0 HA ARG A 71 16.276 -8.815 26.503 1.00 0.00 H new ATOM 0 HB2 ARG A 71 16.898 -5.960 25.636 1.00 0.00 H new ATOM 0 HB3 ARG A 71 17.125 -6.592 27.255 1.00 0.00 H new ATOM 0 HG2 ARG A 71 18.464 -8.485 25.721 1.00 0.00 H new ATOM 0 HG3 ARG A 71 18.767 -7.016 24.814 1.00 0.00 H new ATOM 0 HD2 ARG A 71 20.119 -6.127 26.450 1.00 0.00 H new ATOM 0 HD3 ARG A 71 19.086 -6.684 27.751 1.00 0.00 H new ATOM 0 HE ARG A 71 20.217 -9.039 26.725 1.00 0.00 H new ATOM 0 HH11 ARG A 71 21.484 -5.981 28.066 1.00 0.00 H new ATOM 0 HH12 ARG A 71 22.955 -6.730 28.694 1.00 0.00 H new ATOM 0 HH21 ARG A 71 22.092 -9.979 27.527 1.00 0.00 H new ATOM 0 HH22 ARG A 71 23.296 -9.010 28.384 1.00 0.00 H new TER 1160 ARG A 71