USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 607 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 SER N :NH3+ 141:sc= -0.0707 (180deg=-0.432) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.81! C(o=-1.8!,f=-4.8!) USER MOD Single : A 37 SER OG : rot -40:sc= -4.93! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0842 USER MOD Single : A 42 MET CE :methyl -157:sc= 0 (180deg=-1.26) USER MOD Single : A 46 SER OG : rot 92:sc= 0.279 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -50:sc= 0.495 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0261) USER MOD Single : A 64 LYS NZ :NH3+ 178:sc= 0.218 (180deg=0.217) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.868 -8.732 -7.534 1.00 0.00 N ATOM 2 CA SER A 1 -9.821 -7.816 -7.001 1.00 0.00 C ATOM 3 C SER A 1 -8.566 -7.917 -7.870 1.00 0.00 C ATOM 4 O SER A 1 -8.470 -8.754 -8.746 1.00 0.00 O ATOM 5 CB SER A 1 -9.479 -8.215 -5.565 1.00 0.00 C ATOM 6 OG SER A 1 -8.610 -9.341 -5.585 1.00 0.00 O ATOM 0 H1 SER A 1 -11.373 -9.180 -6.743 1.00 0.00 H new ATOM 0 H2 SER A 1 -11.542 -8.190 -8.112 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.421 -9.466 -8.120 1.00 0.00 H new ATOM 0 HA SER A 1 -10.192 -6.791 -7.015 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.002 -7.382 -5.048 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.389 -8.453 -5.015 1.00 0.00 H new ATOM 0 HG SER A 1 -8.387 -9.599 -4.666 1.00 0.00 H new ATOM 14 N GLU A 2 -7.602 -7.068 -7.637 1.00 0.00 N ATOM 15 CA GLU A 2 -6.355 -7.115 -8.451 1.00 0.00 C ATOM 16 C GLU A 2 -5.211 -6.465 -7.669 1.00 0.00 C ATOM 17 O GLU A 2 -5.392 -5.465 -7.003 1.00 0.00 O ATOM 18 CB GLU A 2 -6.573 -6.357 -9.763 1.00 0.00 C ATOM 19 CG GLU A 2 -7.011 -4.923 -9.457 1.00 0.00 C ATOM 20 CD GLU A 2 -7.286 -4.183 -10.766 1.00 0.00 C ATOM 21 OE1 GLU A 2 -8.156 -4.621 -11.501 1.00 0.00 O ATOM 22 OE2 GLU A 2 -6.622 -3.189 -11.013 1.00 0.00 O ATOM 0 H GLU A 2 -7.625 -6.344 -6.918 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.102 -8.153 -8.669 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.654 -6.351 -10.349 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.331 -6.860 -10.364 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.907 -4.930 -8.836 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.235 -4.407 -8.892 1.00 0.00 H new ATOM 29 N ILE A 3 -4.034 -7.025 -7.746 1.00 0.00 N ATOM 30 CA ILE A 3 -2.881 -6.437 -7.008 1.00 0.00 C ATOM 31 C ILE A 3 -2.318 -5.255 -7.801 1.00 0.00 C ATOM 32 O ILE A 3 -2.458 -5.181 -9.006 1.00 0.00 O ATOM 33 CB ILE A 3 -1.794 -7.498 -6.832 1.00 0.00 C ATOM 34 CG1 ILE A 3 -2.429 -8.802 -6.343 1.00 0.00 C ATOM 35 CG2 ILE A 3 -0.770 -7.013 -5.804 1.00 0.00 C ATOM 36 CD1 ILE A 3 -1.880 -9.975 -7.157 1.00 0.00 C ATOM 0 H ILE A 3 -3.822 -7.863 -8.287 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.213 -6.092 -6.029 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.297 -7.671 -7.786 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.214 -8.948 -5.284 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.513 -8.751 -6.445 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.005 -7.769 -5.678 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.318 -6.084 -6.151 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.267 -6.840 -4.849 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.333 -10.903 -6.808 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.117 -9.829 -8.211 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.798 -10.030 -7.033 1.00 0.00 H new ATOM 48 N ILE A 4 -1.684 -4.330 -7.135 1.00 0.00 N ATOM 49 CA ILE A 4 -1.114 -3.155 -7.853 1.00 0.00 C ATOM 50 C ILE A 4 0.390 -3.075 -7.591 1.00 0.00 C ATOM 51 O ILE A 4 0.828 -2.564 -6.579 1.00 0.00 O ATOM 52 CB ILE A 4 -1.788 -1.876 -7.351 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.240 -1.842 -7.834 1.00 0.00 C ATOM 54 CG2 ILE A 4 -1.042 -0.656 -7.896 1.00 0.00 C ATOM 55 CD1 ILE A 4 -4.034 -0.840 -6.994 1.00 0.00 C ATOM 0 H ILE A 4 -1.536 -4.337 -6.126 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.290 -3.264 -8.923 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.765 -1.858 -6.261 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.278 -1.561 -8.886 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.685 -2.834 -7.753 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.523 0.254 -7.538 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.008 -0.679 -7.553 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.064 -0.673 -8.986 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.068 -0.816 -7.338 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.007 -1.141 -5.947 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.594 0.152 -7.098 1.00 0.00 H new ATOM 67 N ARG A 5 1.186 -3.576 -8.495 1.00 0.00 N ATOM 68 CA ARG A 5 2.662 -3.528 -8.298 1.00 0.00 C ATOM 69 C ARG A 5 3.214 -2.243 -8.913 1.00 0.00 C ATOM 70 O ARG A 5 2.474 -1.376 -9.335 1.00 0.00 O ATOM 71 CB ARG A 5 3.307 -4.738 -8.978 1.00 0.00 C ATOM 72 CG ARG A 5 2.723 -4.906 -10.383 1.00 0.00 C ATOM 73 CD ARG A 5 1.679 -6.023 -10.373 1.00 0.00 C ATOM 74 NE ARG A 5 2.273 -7.264 -10.945 1.00 0.00 N ATOM 75 CZ ARG A 5 2.203 -7.489 -12.229 1.00 0.00 C ATOM 76 NH1 ARG A 5 1.096 -7.243 -12.875 1.00 0.00 N ATOM 77 NH2 ARG A 5 3.241 -7.959 -12.867 1.00 0.00 N ATOM 0 H ARG A 5 0.878 -4.017 -9.362 1.00 0.00 H new ATOM 0 HA ARG A 5 2.888 -3.548 -7.232 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.387 -4.603 -9.035 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.129 -5.637 -8.389 1.00 0.00 H new ATOM 0 HG2 ARG A 5 2.268 -3.972 -10.713 1.00 0.00 H new ATOM 0 HG3 ARG A 5 3.516 -5.142 -11.092 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.337 -6.207 -9.354 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.806 -5.724 -10.953 1.00 0.00 H new ATOM 0 HE ARG A 5 2.734 -7.938 -10.333 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.286 -6.875 -12.377 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.041 -7.419 -13.878 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.106 -8.150 -12.362 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.186 -8.135 -13.870 1.00 0.00 H new ATOM 91 N VAL A 6 4.512 -2.108 -8.967 1.00 0.00 N ATOM 92 CA VAL A 6 5.107 -0.876 -9.555 1.00 0.00 C ATOM 93 C VAL A 6 5.110 -0.995 -11.084 1.00 0.00 C ATOM 94 O VAL A 6 5.398 -2.047 -11.619 1.00 0.00 O ATOM 95 CB VAL A 6 6.543 -0.716 -9.053 1.00 0.00 C ATOM 96 CG1 VAL A 6 7.239 0.397 -9.839 1.00 0.00 C ATOM 97 CG2 VAL A 6 6.523 -0.351 -7.566 1.00 0.00 C ATOM 0 H VAL A 6 5.184 -2.797 -8.630 1.00 0.00 H new ATOM 0 HA VAL A 6 4.520 -0.007 -9.258 1.00 0.00 H new ATOM 0 HB VAL A 6 7.083 -1.652 -9.193 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.262 0.510 -9.481 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.252 0.141 -10.898 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.700 1.334 -9.699 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.545 -0.236 -7.206 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.983 0.586 -7.428 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.027 -1.142 -7.004 1.00 0.00 H new ATOM 107 N PRO A 7 4.788 0.091 -11.744 1.00 0.00 N ATOM 108 CA PRO A 7 4.744 0.139 -13.215 1.00 0.00 C ATOM 109 C PRO A 7 6.160 0.267 -13.788 1.00 0.00 C ATOM 110 O PRO A 7 7.140 0.136 -13.082 1.00 0.00 O ATOM 111 CB PRO A 7 3.922 1.396 -13.508 1.00 0.00 C ATOM 112 CG PRO A 7 4.025 2.290 -12.249 1.00 0.00 C ATOM 113 CD PRO A 7 4.439 1.367 -11.087 1.00 0.00 C ATOM 0 HA PRO A 7 4.316 -0.758 -13.661 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.307 1.916 -14.386 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.884 1.140 -13.719 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.759 3.082 -12.395 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.071 2.774 -12.038 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.286 1.776 -10.536 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.626 1.238 -10.372 1.00 0.00 H new ATOM 121 N ASP A 8 6.271 0.524 -15.062 1.00 0.00 N ATOM 122 CA ASP A 8 7.621 0.660 -15.679 1.00 0.00 C ATOM 123 C ASP A 8 8.157 2.071 -15.422 1.00 0.00 C ATOM 124 O ASP A 8 7.741 3.026 -16.046 1.00 0.00 O ATOM 125 CB ASP A 8 7.519 0.420 -17.186 1.00 0.00 C ATOM 126 CG ASP A 8 8.913 0.488 -17.811 1.00 0.00 C ATOM 127 OD1 ASP A 8 9.526 1.540 -17.729 1.00 0.00 O ATOM 128 OD2 ASP A 8 9.344 -0.512 -18.360 1.00 0.00 O ATOM 0 H ASP A 8 5.486 0.646 -15.702 1.00 0.00 H new ATOM 0 HA ASP A 8 8.298 -0.073 -15.240 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.069 -0.554 -17.380 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.869 1.167 -17.640 1.00 0.00 H new ATOM 133 N ILE A 9 9.076 2.207 -14.506 1.00 0.00 N ATOM 134 CA ILE A 9 9.638 3.556 -14.209 1.00 0.00 C ATOM 135 C ILE A 9 11.048 3.658 -14.794 1.00 0.00 C ATOM 136 O ILE A 9 11.418 4.658 -15.376 1.00 0.00 O ATOM 137 CB ILE A 9 9.703 3.787 -12.691 1.00 0.00 C ATOM 138 CG1 ILE A 9 9.251 2.530 -11.937 1.00 0.00 C ATOM 139 CG2 ILE A 9 8.790 4.953 -12.315 1.00 0.00 C ATOM 140 CD1 ILE A 9 9.261 2.807 -10.432 1.00 0.00 C ATOM 0 H ILE A 9 9.462 1.444 -13.951 1.00 0.00 H new ATOM 0 HA ILE A 9 8.992 4.312 -14.656 1.00 0.00 H new ATOM 0 HB ILE A 9 10.733 4.015 -12.415 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.250 2.241 -12.258 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.914 1.696 -12.169 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.835 5.118 -11.238 1.00 0.00 H new ATOM 0 HG22 ILE A 9 9.118 5.854 -12.834 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.765 4.720 -12.604 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.940 1.914 -9.896 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.270 3.076 -10.118 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.581 3.629 -10.209 1.00 0.00 H new ATOM 152 N GLY A 10 11.837 2.630 -14.645 1.00 0.00 N ATOM 153 CA GLY A 10 13.223 2.669 -15.191 1.00 0.00 C ATOM 154 C GLY A 10 14.221 2.370 -14.071 1.00 0.00 C ATOM 155 O GLY A 10 15.329 1.934 -14.312 1.00 0.00 O ATOM 0 H GLY A 10 11.582 1.765 -14.169 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.330 1.938 -15.993 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.428 3.649 -15.623 1.00 0.00 H new ATOM 159 N GLY A 11 13.835 2.598 -12.845 1.00 0.00 N ATOM 160 CA GLY A 11 14.759 2.327 -11.709 1.00 0.00 C ATOM 161 C GLY A 11 13.985 1.661 -10.570 1.00 0.00 C ATOM 162 O GLY A 11 13.134 0.823 -10.791 1.00 0.00 O ATOM 0 H GLY A 11 12.919 2.961 -12.582 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.574 1.681 -12.035 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.209 3.257 -11.362 1.00 0.00 H new ATOM 166 N ASP A 12 14.271 2.029 -9.350 1.00 0.00 N ATOM 167 CA ASP A 12 13.549 1.418 -8.199 1.00 0.00 C ATOM 168 C ASP A 12 12.439 2.363 -7.736 1.00 0.00 C ATOM 169 O ASP A 12 12.519 3.563 -7.907 1.00 0.00 O ATOM 170 CB ASP A 12 14.530 1.180 -7.050 1.00 0.00 C ATOM 171 CG ASP A 12 15.307 2.466 -6.765 1.00 0.00 C ATOM 172 OD1 ASP A 12 14.838 3.519 -7.163 1.00 0.00 O ATOM 173 OD2 ASP A 12 16.360 2.376 -6.154 1.00 0.00 O ATOM 0 H ASP A 12 14.973 2.726 -9.102 1.00 0.00 H new ATOM 0 HA ASP A 12 13.113 0.467 -8.506 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.990 0.864 -6.157 1.00 0.00 H new ATOM 0 HB3 ASP A 12 15.219 0.376 -7.308 1.00 0.00 H new ATOM 178 N GLY A 13 11.401 1.832 -7.150 1.00 0.00 N ATOM 179 CA GLY A 13 10.287 2.701 -6.677 1.00 0.00 C ATOM 180 C GLY A 13 10.310 2.779 -5.150 1.00 0.00 C ATOM 181 O GLY A 13 9.947 1.843 -4.465 1.00 0.00 O ATOM 0 H GLY A 13 11.276 0.834 -6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.385 3.699 -7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.331 2.301 -7.016 1.00 0.00 H new ATOM 185 N GLU A 14 10.734 3.889 -4.610 1.00 0.00 N ATOM 186 CA GLU A 14 10.779 4.026 -3.126 1.00 0.00 C ATOM 187 C GLU A 14 9.558 4.814 -2.650 1.00 0.00 C ATOM 188 O GLU A 14 9.173 5.800 -3.246 1.00 0.00 O ATOM 189 CB GLU A 14 12.055 4.768 -2.722 1.00 0.00 C ATOM 190 CG GLU A 14 13.277 3.929 -3.101 1.00 0.00 C ATOM 191 CD GLU A 14 14.212 4.758 -3.984 1.00 0.00 C ATOM 192 OE1 GLU A 14 14.206 5.970 -3.845 1.00 0.00 O ATOM 193 OE2 GLU A 14 14.919 4.167 -4.783 1.00 0.00 O ATOM 0 H GLU A 14 11.051 4.706 -5.132 1.00 0.00 H new ATOM 0 HA GLU A 14 10.773 3.037 -2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.098 5.737 -3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.052 4.961 -1.649 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.801 3.604 -2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.963 3.029 -3.630 1.00 0.00 H new ATOM 200 N VAL A 15 8.945 4.387 -1.580 1.00 0.00 N ATOM 201 CA VAL A 15 7.748 5.113 -1.069 1.00 0.00 C ATOM 202 C VAL A 15 8.193 6.389 -0.350 1.00 0.00 C ATOM 203 O VAL A 15 9.026 6.356 0.533 1.00 0.00 O ATOM 204 CB VAL A 15 6.987 4.216 -0.090 1.00 0.00 C ATOM 205 CG1 VAL A 15 5.808 4.991 0.501 1.00 0.00 C ATOM 206 CG2 VAL A 15 6.466 2.982 -0.831 1.00 0.00 C ATOM 0 H VAL A 15 9.221 3.568 -1.038 1.00 0.00 H new ATOM 0 HA VAL A 15 7.098 5.374 -1.904 1.00 0.00 H new ATOM 0 HB VAL A 15 7.655 3.904 0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.266 4.352 1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.178 5.871 1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.139 5.303 -0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.924 2.342 -0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.797 3.295 -1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.306 2.430 -1.253 1.00 0.00 H new ATOM 216 N ILE A 16 7.643 7.512 -0.723 1.00 0.00 N ATOM 217 CA ILE A 16 8.035 8.789 -0.062 1.00 0.00 C ATOM 218 C ILE A 16 6.892 9.267 0.837 1.00 0.00 C ATOM 219 O ILE A 16 7.112 9.831 1.890 1.00 0.00 O ATOM 220 CB ILE A 16 8.322 9.849 -1.126 1.00 0.00 C ATOM 221 CG1 ILE A 16 9.594 9.472 -1.891 1.00 0.00 C ATOM 222 CG2 ILE A 16 8.518 11.208 -0.454 1.00 0.00 C ATOM 223 CD1 ILE A 16 9.687 10.308 -3.169 1.00 0.00 C ATOM 0 H ILE A 16 6.940 7.601 -1.456 1.00 0.00 H new ATOM 0 HA ILE A 16 8.930 8.627 0.539 1.00 0.00 H new ATOM 0 HB ILE A 16 7.482 9.904 -1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.471 9.644 -1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.581 8.410 -2.138 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.723 11.963 -1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.614 11.478 0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.358 11.153 0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 16 10.592 10.040 -3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.816 10.114 -3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 16 9.719 11.366 -2.910 1.00 0.00 H new ATOM 235 N GLU A 17 5.672 9.048 0.428 1.00 0.00 N ATOM 236 CA GLU A 17 4.517 9.492 1.258 1.00 0.00 C ATOM 237 C GLU A 17 3.316 8.583 0.990 1.00 0.00 C ATOM 238 O GLU A 17 2.919 8.381 -0.141 1.00 0.00 O ATOM 239 CB GLU A 17 4.157 10.934 0.899 1.00 0.00 C ATOM 240 CG GLU A 17 3.499 11.612 2.103 1.00 0.00 C ATOM 241 CD GLU A 17 2.761 12.870 1.641 1.00 0.00 C ATOM 242 OE1 GLU A 17 3.406 13.733 1.069 1.00 0.00 O ATOM 243 OE2 GLU A 17 1.565 12.948 1.866 1.00 0.00 O ATOM 0 H GLU A 17 5.426 8.581 -0.445 1.00 0.00 H new ATOM 0 HA GLU A 17 4.785 9.436 2.313 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.053 11.481 0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.480 10.949 0.045 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.803 10.925 2.585 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.254 11.872 2.845 1.00 0.00 H new ATOM 250 N LEU A 18 2.732 8.035 2.020 1.00 0.00 N ATOM 251 CA LEU A 18 1.556 7.142 1.823 1.00 0.00 C ATOM 252 C LEU A 18 0.296 7.836 2.346 1.00 0.00 C ATOM 253 O LEU A 18 0.241 8.271 3.479 1.00 0.00 O ATOM 254 CB LEU A 18 1.774 5.835 2.588 1.00 0.00 C ATOM 255 CG LEU A 18 0.476 5.027 2.600 1.00 0.00 C ATOM 256 CD1 LEU A 18 0.798 3.540 2.445 1.00 0.00 C ATOM 257 CD2 LEU A 18 -0.252 5.255 3.927 1.00 0.00 C ATOM 0 H LEU A 18 3.019 8.167 2.990 1.00 0.00 H new ATOM 0 HA LEU A 18 1.438 6.925 0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.570 5.256 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.092 6.048 3.609 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.160 5.348 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.128 2.964 2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.318 3.377 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.433 3.217 3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.178 4.680 3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.385 4.933 4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.482 6.315 4.038 1.00 0.00 H new ATOM 269 N LEU A 19 -0.717 7.943 1.530 1.00 0.00 N ATOM 270 CA LEU A 19 -1.970 8.610 1.982 1.00 0.00 C ATOM 271 C LEU A 19 -3.158 7.674 1.753 1.00 0.00 C ATOM 272 O LEU A 19 -4.126 8.029 1.108 1.00 0.00 O ATOM 273 CB LEU A 19 -2.177 9.899 1.184 1.00 0.00 C ATOM 274 CG LEU A 19 -2.077 9.594 -0.311 1.00 0.00 C ATOM 275 CD1 LEU A 19 -3.379 10.000 -1.004 1.00 0.00 C ATOM 276 CD2 LEU A 19 -0.912 10.383 -0.915 1.00 0.00 C ATOM 0 H LEU A 19 -0.731 7.597 0.570 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.893 8.846 3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.152 10.329 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.428 10.638 1.466 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.908 8.527 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.307 9.782 -2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.210 9.440 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.549 11.067 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.840 10.166 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.083 11.450 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.017 10.095 -0.422 1.00 0.00 H new ATOM 288 N VAL A 20 -3.094 6.478 2.274 1.00 0.00 N ATOM 289 CA VAL A 20 -4.221 5.522 2.083 1.00 0.00 C ATOM 290 C VAL A 20 -4.326 4.605 3.304 1.00 0.00 C ATOM 291 O VAL A 20 -3.405 4.492 4.087 1.00 0.00 O ATOM 292 CB VAL A 20 -3.969 4.680 0.831 1.00 0.00 C ATOM 293 CG1 VAL A 20 -4.484 5.427 -0.400 1.00 0.00 C ATOM 294 CG2 VAL A 20 -2.466 4.428 0.682 1.00 0.00 C ATOM 0 H VAL A 20 -2.311 6.123 2.823 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.152 6.077 1.966 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.492 3.728 0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.304 4.826 -1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.554 5.608 -0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.962 6.379 -0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.284 3.828 -0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.945 5.381 0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.098 3.895 1.559 1.00 0.00 H new ATOM 304 N LYS A 21 -5.443 3.952 3.472 1.00 0.00 N ATOM 305 CA LYS A 21 -5.606 3.044 4.642 1.00 0.00 C ATOM 306 C LYS A 21 -6.375 1.793 4.216 1.00 0.00 C ATOM 307 O LYS A 21 -6.808 1.672 3.088 1.00 0.00 O ATOM 308 CB LYS A 21 -6.383 3.768 5.744 1.00 0.00 C ATOM 309 CG LYS A 21 -5.675 3.568 7.085 1.00 0.00 C ATOM 310 CD LYS A 21 -4.326 4.289 7.064 1.00 0.00 C ATOM 311 CE LYS A 21 -3.476 3.817 8.245 1.00 0.00 C ATOM 312 NZ LYS A 21 -2.757 2.567 7.873 1.00 0.00 N ATOM 0 H LYS A 21 -6.249 4.008 2.850 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.624 2.756 5.017 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.455 4.831 5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.402 3.384 5.798 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.293 3.954 7.895 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.528 2.505 7.275 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.808 4.087 6.126 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.477 5.367 7.119 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.761 4.591 8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.109 3.640 9.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.179 2.247 8.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.448 1.829 7.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.141 2.751 7.055 1.00 0.00 H new ATOM 326 N THR A 22 -6.549 0.859 5.111 1.00 0.00 N ATOM 327 CA THR A 22 -7.291 -0.384 4.757 1.00 0.00 C ATOM 328 C THR A 22 -8.796 -0.123 4.848 1.00 0.00 C ATOM 329 O THR A 22 -9.257 0.621 5.692 1.00 0.00 O ATOM 330 CB THR A 22 -6.908 -1.501 5.731 1.00 0.00 C ATOM 331 OG1 THR A 22 -5.534 -1.378 6.074 1.00 0.00 O ATOM 332 CG2 THR A 22 -7.153 -2.861 5.075 1.00 0.00 C ATOM 0 H THR A 22 -6.209 0.903 6.072 1.00 0.00 H new ATOM 0 HA THR A 22 -7.035 -0.683 3.741 1.00 0.00 H new ATOM 0 HB THR A 22 -7.516 -1.421 6.632 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.288 -2.092 6.699 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.880 -3.655 5.770 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.207 -2.954 4.814 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.547 -2.944 4.173 1.00 0.00 H new ATOM 340 N GLY A 23 -9.566 -0.729 3.987 1.00 0.00 N ATOM 341 CA GLY A 23 -11.042 -0.515 4.027 1.00 0.00 C ATOM 342 C GLY A 23 -11.365 0.915 3.590 1.00 0.00 C ATOM 343 O GLY A 23 -12.491 1.362 3.683 1.00 0.00 O ATOM 0 H GLY A 23 -9.238 -1.363 3.258 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.541 -1.228 3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.418 -0.692 5.035 1.00 0.00 H new ATOM 347 N ASP A 24 -10.387 1.637 3.114 1.00 0.00 N ATOM 348 CA ASP A 24 -10.643 3.038 2.673 1.00 0.00 C ATOM 349 C ASP A 24 -11.148 3.035 1.229 1.00 0.00 C ATOM 350 O ASP A 24 -10.589 2.385 0.367 1.00 0.00 O ATOM 351 CB ASP A 24 -9.346 3.844 2.758 1.00 0.00 C ATOM 352 CG ASP A 24 -9.191 4.418 4.167 1.00 0.00 C ATOM 353 OD1 ASP A 24 -9.971 4.044 5.026 1.00 0.00 O ATOM 354 OD2 ASP A 24 -8.295 5.222 4.363 1.00 0.00 O ATOM 0 H ASP A 24 -9.424 1.318 3.012 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.395 3.490 3.319 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.494 3.208 2.518 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.358 4.651 2.025 1.00 0.00 H new ATOM 359 N LEU A 25 -12.200 3.757 0.956 1.00 0.00 N ATOM 360 CA LEU A 25 -12.737 3.797 -0.433 1.00 0.00 C ATOM 361 C LEU A 25 -12.042 4.914 -1.215 1.00 0.00 C ATOM 362 O LEU A 25 -12.123 6.074 -0.863 1.00 0.00 O ATOM 363 CB LEU A 25 -14.243 4.064 -0.392 1.00 0.00 C ATOM 364 CG LEU A 25 -14.894 3.513 -1.661 1.00 0.00 C ATOM 365 CD1 LEU A 25 -14.340 4.250 -2.881 1.00 0.00 C ATOM 366 CD2 LEU A 25 -14.584 2.019 -1.784 1.00 0.00 C ATOM 0 H LEU A 25 -12.711 4.321 1.635 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.552 2.840 -0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.682 3.594 0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.431 5.134 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 25 -15.973 3.659 -1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -14.804 3.857 -3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -14.559 5.314 -2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -13.261 4.105 -2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.047 1.624 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.505 1.874 -1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.979 1.493 -0.915 1.00 0.00 H new ATOM 378 N ILE A 26 -11.355 4.574 -2.271 1.00 0.00 N ATOM 379 CA ILE A 26 -10.653 5.612 -3.070 1.00 0.00 C ATOM 380 C ILE A 26 -11.539 6.031 -4.247 1.00 0.00 C ATOM 381 O ILE A 26 -12.690 5.651 -4.334 1.00 0.00 O ATOM 382 CB ILE A 26 -9.340 5.030 -3.595 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.756 4.072 -2.554 1.00 0.00 C ATOM 384 CG2 ILE A 26 -8.342 6.159 -3.860 1.00 0.00 C ATOM 385 CD1 ILE A 26 -7.460 3.461 -3.090 1.00 0.00 C ATOM 0 H ILE A 26 -11.251 3.619 -2.614 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.445 6.483 -2.449 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.531 4.492 -4.524 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.561 4.605 -1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.474 3.284 -2.326 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.408 5.739 -4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.755 6.843 -4.602 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.151 6.701 -2.934 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.045 2.779 -2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.669 2.914 -4.009 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.741 4.254 -3.295 1.00 0.00 H new ATOM 397 N GLU A 27 -11.013 6.808 -5.153 1.00 0.00 N ATOM 398 CA GLU A 27 -11.826 7.248 -6.321 1.00 0.00 C ATOM 399 C GLU A 27 -10.927 7.356 -7.554 1.00 0.00 C ATOM 400 O GLU A 27 -9.716 7.321 -7.457 1.00 0.00 O ATOM 401 CB GLU A 27 -12.452 8.612 -6.023 1.00 0.00 C ATOM 402 CG GLU A 27 -11.359 9.590 -5.584 1.00 0.00 C ATOM 403 CD GLU A 27 -11.727 11.004 -6.035 1.00 0.00 C ATOM 404 OE1 GLU A 27 -12.386 11.127 -7.055 1.00 0.00 O ATOM 405 OE2 GLU A 27 -11.345 11.941 -5.353 1.00 0.00 O ATOM 0 H GLU A 27 -10.055 7.157 -5.135 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.616 6.521 -6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.961 8.992 -6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.204 8.516 -5.240 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.244 9.561 -4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.401 9.298 -6.014 1.00 0.00 H new ATOM 412 N VAL A 28 -11.509 7.489 -8.715 1.00 0.00 N ATOM 413 CA VAL A 28 -10.686 7.599 -9.952 1.00 0.00 C ATOM 414 C VAL A 28 -10.243 9.051 -10.144 1.00 0.00 C ATOM 415 O VAL A 28 -10.729 9.747 -11.013 1.00 0.00 O ATOM 416 CB VAL A 28 -11.517 7.156 -11.158 1.00 0.00 C ATOM 417 CG1 VAL A 28 -12.718 8.088 -11.321 1.00 0.00 C ATOM 418 CG2 VAL A 28 -10.652 7.214 -12.420 1.00 0.00 C ATOM 0 H VAL A 28 -12.518 7.526 -8.860 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.807 6.961 -9.861 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.868 6.136 -11.003 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.310 7.772 -12.180 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.334 8.049 -10.422 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -12.368 9.108 -11.477 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.242 6.899 -13.280 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.302 8.235 -12.574 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.795 6.550 -12.305 1.00 0.00 H new ATOM 428 N GLU A 29 -9.321 9.511 -9.342 1.00 0.00 N ATOM 429 CA GLU A 29 -8.843 10.913 -9.478 1.00 0.00 C ATOM 430 C GLU A 29 -7.944 11.263 -8.289 1.00 0.00 C ATOM 431 O GLU A 29 -6.984 11.995 -8.420 1.00 0.00 O ATOM 432 CB GLU A 29 -10.040 11.867 -9.508 1.00 0.00 C ATOM 433 CG GLU A 29 -9.549 13.310 -9.381 1.00 0.00 C ATOM 434 CD GLU A 29 -9.945 14.095 -10.632 1.00 0.00 C ATOM 435 OE1 GLU A 29 -10.930 13.730 -11.250 1.00 0.00 O ATOM 436 OE2 GLU A 29 -9.254 15.050 -10.951 1.00 0.00 O ATOM 0 H GLU A 29 -8.878 8.973 -8.597 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.279 11.012 -10.405 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.595 11.741 -10.438 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.725 11.632 -8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.980 13.776 -8.495 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.466 13.327 -9.255 1.00 0.00 H new ATOM 443 N GLN A 30 -8.246 10.744 -7.130 1.00 0.00 N ATOM 444 CA GLN A 30 -7.408 11.048 -5.937 1.00 0.00 C ATOM 445 C GLN A 30 -6.072 10.311 -6.051 1.00 0.00 C ATOM 446 O GLN A 30 -5.971 9.284 -6.694 1.00 0.00 O ATOM 447 CB GLN A 30 -8.137 10.589 -4.671 1.00 0.00 C ATOM 448 CG GLN A 30 -7.700 11.455 -3.488 1.00 0.00 C ATOM 449 CD GLN A 30 -7.070 10.568 -2.412 1.00 0.00 C ATOM 450 OE1 GLN A 30 -5.998 10.029 -2.604 1.00 0.00 O ATOM 451 NE2 GLN A 30 -7.693 10.394 -1.279 1.00 0.00 N ATOM 0 H GLN A 30 -9.037 10.123 -6.958 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.228 12.122 -5.884 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.215 10.664 -4.812 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.914 9.541 -4.470 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.984 12.207 -3.819 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.557 11.989 -3.078 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.593 10.846 -1.117 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.280 9.806 -0.555 1.00 0.00 H new ATOM 460 N GLY A 31 -5.045 10.825 -5.430 1.00 0.00 N ATOM 461 CA GLY A 31 -3.717 10.152 -5.505 1.00 0.00 C ATOM 462 C GLY A 31 -3.741 8.880 -4.656 1.00 0.00 C ATOM 463 O GLY A 31 -4.706 8.593 -3.977 1.00 0.00 O ATOM 0 H GLY A 31 -5.068 11.680 -4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.480 9.907 -6.540 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.936 10.824 -5.150 1.00 0.00 H new ATOM 467 N LEU A 32 -2.684 8.115 -4.690 1.00 0.00 N ATOM 468 CA LEU A 32 -2.646 6.862 -3.884 1.00 0.00 C ATOM 469 C LEU A 32 -1.298 6.755 -3.170 1.00 0.00 C ATOM 470 O LEU A 32 -1.228 6.435 -2.000 1.00 0.00 O ATOM 471 CB LEU A 32 -2.830 5.656 -4.809 1.00 0.00 C ATOM 472 CG LEU A 32 -3.779 4.651 -4.157 1.00 0.00 C ATOM 473 CD1 LEU A 32 -3.190 4.180 -2.825 1.00 0.00 C ATOM 474 CD2 LEU A 32 -5.133 5.318 -3.907 1.00 0.00 C ATOM 0 H LEU A 32 -1.846 8.303 -5.240 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.447 6.880 -3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.231 5.979 -5.770 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.867 5.186 -5.007 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.911 3.795 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.867 3.463 -2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.225 3.705 -3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.058 5.036 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.811 4.602 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.000 6.174 -3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.554 5.653 -4.855 1.00 0.00 H new ATOM 486 N VAL A 33 -0.225 7.022 -3.864 1.00 0.00 N ATOM 487 CA VAL A 33 1.117 6.934 -3.221 1.00 0.00 C ATOM 488 C VAL A 33 2.093 7.863 -3.946 1.00 0.00 C ATOM 489 O VAL A 33 1.789 8.407 -4.989 1.00 0.00 O ATOM 490 CB VAL A 33 1.627 5.495 -3.300 1.00 0.00 C ATOM 491 CG1 VAL A 33 0.989 4.665 -2.186 1.00 0.00 C ATOM 492 CG2 VAL A 33 1.255 4.897 -4.659 1.00 0.00 C ATOM 0 H VAL A 33 -0.220 7.297 -4.846 1.00 0.00 H new ATOM 0 HA VAL A 33 1.039 7.234 -2.176 1.00 0.00 H new ATOM 0 HB VAL A 33 2.711 5.487 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.353 3.639 -2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.253 5.091 -1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.095 4.672 -2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.618 3.871 -4.717 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.171 4.906 -4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.710 5.488 -5.454 1.00 0.00 H new ATOM 502 N VAL A 34 3.265 8.048 -3.403 1.00 0.00 N ATOM 503 CA VAL A 34 4.258 8.942 -4.062 1.00 0.00 C ATOM 504 C VAL A 34 5.600 8.215 -4.178 1.00 0.00 C ATOM 505 O VAL A 34 6.521 8.467 -3.426 1.00 0.00 O ATOM 506 CB VAL A 34 4.436 10.211 -3.227 1.00 0.00 C ATOM 507 CG1 VAL A 34 5.532 11.080 -3.847 1.00 0.00 C ATOM 508 CG2 VAL A 34 3.121 10.991 -3.204 1.00 0.00 C ATOM 0 H VAL A 34 3.578 7.619 -2.532 1.00 0.00 H new ATOM 0 HA VAL A 34 3.902 9.209 -5.057 1.00 0.00 H new ATOM 0 HB VAL A 34 4.719 9.941 -2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.659 11.985 -3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.469 10.524 -3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.249 11.351 -4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.245 11.896 -2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.840 11.261 -4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.339 10.372 -2.764 1.00 0.00 H new ATOM 518 N LEU A 35 5.718 7.314 -5.115 1.00 0.00 N ATOM 519 CA LEU A 35 7.000 6.573 -5.279 1.00 0.00 C ATOM 520 C LEU A 35 7.908 7.333 -6.248 1.00 0.00 C ATOM 521 O LEU A 35 7.477 7.790 -7.288 1.00 0.00 O ATOM 522 CB LEU A 35 6.714 5.176 -5.834 1.00 0.00 C ATOM 523 CG LEU A 35 5.860 4.394 -4.836 1.00 0.00 C ATOM 524 CD1 LEU A 35 4.382 4.535 -5.206 1.00 0.00 C ATOM 525 CD2 LEU A 35 6.257 2.916 -4.877 1.00 0.00 C ATOM 0 H LEU A 35 4.982 7.059 -5.774 1.00 0.00 H new ATOM 0 HA LEU A 35 7.495 6.484 -4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.196 5.252 -6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.650 4.649 -6.019 1.00 0.00 H new ATOM 0 HG LEU A 35 6.021 4.788 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.774 3.977 -4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.099 5.587 -5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.219 4.141 -6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.649 2.356 -4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.095 2.523 -5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.310 2.815 -4.613 1.00 0.00 H new ATOM 537 N GLU A 36 9.162 7.471 -5.916 1.00 0.00 N ATOM 538 CA GLU A 36 10.094 8.202 -6.820 1.00 0.00 C ATOM 539 C GLU A 36 11.101 7.218 -7.419 1.00 0.00 C ATOM 540 O GLU A 36 11.580 6.322 -6.753 1.00 0.00 O ATOM 541 CB GLU A 36 10.842 9.273 -6.023 1.00 0.00 C ATOM 542 CG GLU A 36 11.922 9.905 -6.902 1.00 0.00 C ATOM 543 CD GLU A 36 13.278 9.277 -6.578 1.00 0.00 C ATOM 544 OE1 GLU A 36 13.348 8.530 -5.615 1.00 0.00 O ATOM 545 OE2 GLU A 36 14.224 9.552 -7.298 1.00 0.00 O ATOM 0 H GLU A 36 9.581 7.110 -5.059 1.00 0.00 H new ATOM 0 HA GLU A 36 9.526 8.674 -7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.145 10.038 -5.679 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.294 8.831 -5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.682 9.755 -7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.959 10.981 -6.734 1.00 0.00 H new ATOM 552 N SER A 37 11.425 7.377 -8.674 1.00 0.00 N ATOM 553 CA SER A 37 12.400 6.452 -9.315 1.00 0.00 C ATOM 554 C SER A 37 13.683 7.214 -9.651 1.00 0.00 C ATOM 555 O SER A 37 13.759 8.418 -9.499 1.00 0.00 O ATOM 556 CB SER A 37 11.794 5.883 -10.599 1.00 0.00 C ATOM 557 OG SER A 37 10.407 5.648 -10.399 1.00 0.00 O ATOM 0 H SER A 37 11.056 8.108 -9.282 1.00 0.00 H new ATOM 0 HA SER A 37 12.631 5.637 -8.629 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.941 6.580 -11.424 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.296 4.955 -10.872 1.00 0.00 H new ATOM 0 HG SER A 37 10.264 5.280 -9.502 1.00 0.00 H new ATOM 563 N ALA A 38 14.693 6.524 -10.105 1.00 0.00 N ATOM 564 CA ALA A 38 15.970 7.211 -10.450 1.00 0.00 C ATOM 565 C ALA A 38 15.720 8.216 -11.575 1.00 0.00 C ATOM 566 O ALA A 38 16.546 9.061 -11.859 1.00 0.00 O ATOM 567 CB ALA A 38 16.997 6.175 -10.909 1.00 0.00 C ATOM 0 H ALA A 38 14.689 5.515 -10.252 1.00 0.00 H new ATOM 0 HA ALA A 38 16.350 7.735 -9.573 1.00 0.00 H new ATOM 0 HB1 ALA A 38 17.931 6.676 -11.162 1.00 0.00 H new ATOM 0 HB2 ALA A 38 17.175 5.459 -10.107 1.00 0.00 H new ATOM 0 HB3 ALA A 38 16.618 5.651 -11.786 1.00 0.00 H new ATOM 573 N LYS A 39 14.589 8.133 -12.218 1.00 0.00 N ATOM 574 CA LYS A 39 14.288 9.085 -13.325 1.00 0.00 C ATOM 575 C LYS A 39 13.712 10.378 -12.745 1.00 0.00 C ATOM 576 O LYS A 39 14.100 11.466 -13.123 1.00 0.00 O ATOM 577 CB LYS A 39 13.270 8.455 -14.278 1.00 0.00 C ATOM 578 CG LYS A 39 14.005 7.684 -15.375 1.00 0.00 C ATOM 579 CD LYS A 39 13.088 7.525 -16.589 1.00 0.00 C ATOM 580 CE LYS A 39 13.928 7.531 -17.868 1.00 0.00 C ATOM 581 NZ LYS A 39 13.031 7.656 -19.051 1.00 0.00 N ATOM 0 H LYS A 39 13.859 7.447 -12.025 1.00 0.00 H new ATOM 0 HA LYS A 39 15.205 9.309 -13.870 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.609 7.785 -13.729 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.643 9.229 -14.721 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.914 8.214 -15.660 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.309 6.705 -15.005 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.527 6.594 -16.514 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.359 8.335 -16.616 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.637 8.359 -17.846 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.512 6.613 -17.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.602 7.660 -19.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.372 6.852 -19.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.493 8.543 -18.986 1.00 0.00 H new ATOM 595 N ALA A 40 12.790 10.269 -11.829 1.00 0.00 N ATOM 596 CA ALA A 40 12.189 11.492 -11.226 1.00 0.00 C ATOM 597 C ALA A 40 11.123 11.086 -10.206 1.00 0.00 C ATOM 598 O ALA A 40 10.682 9.954 -10.171 1.00 0.00 O ATOM 599 CB ALA A 40 11.547 12.339 -12.325 1.00 0.00 C ATOM 0 H ALA A 40 12.426 9.386 -11.472 1.00 0.00 H new ATOM 0 HA ALA A 40 12.966 12.072 -10.728 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.107 13.234 -11.885 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.306 12.628 -13.052 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.769 11.760 -12.823 1.00 0.00 H new ATOM 605 N SER A 41 10.705 12.001 -9.375 1.00 0.00 N ATOM 606 CA SER A 41 9.667 11.667 -8.360 1.00 0.00 C ATOM 607 C SER A 41 8.282 11.723 -9.007 1.00 0.00 C ATOM 608 O SER A 41 7.852 12.753 -9.486 1.00 0.00 O ATOM 609 CB SER A 41 9.734 12.674 -7.211 1.00 0.00 C ATOM 610 OG SER A 41 8.987 12.179 -6.109 1.00 0.00 O ATOM 0 H SER A 41 11.037 12.965 -9.355 1.00 0.00 H new ATOM 0 HA SER A 41 9.847 10.663 -7.975 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.771 12.840 -6.917 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.336 13.637 -7.532 1.00 0.00 H new ATOM 0 HG SER A 41 9.029 12.821 -5.370 1.00 0.00 H new ATOM 616 N MET A 42 7.581 10.623 -9.025 1.00 0.00 N ATOM 617 CA MET A 42 6.224 10.614 -9.641 1.00 0.00 C ATOM 618 C MET A 42 5.195 10.174 -8.598 1.00 0.00 C ATOM 619 O MET A 42 5.525 9.912 -7.459 1.00 0.00 O ATOM 620 CB MET A 42 6.205 9.638 -10.820 1.00 0.00 C ATOM 621 CG MET A 42 7.311 10.013 -11.810 1.00 0.00 C ATOM 622 SD MET A 42 6.838 9.476 -13.472 1.00 0.00 S ATOM 623 CE MET A 42 6.569 7.731 -13.080 1.00 0.00 C ATOM 0 H MET A 42 7.889 9.730 -8.640 1.00 0.00 H new ATOM 0 HA MET A 42 5.978 11.615 -9.995 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.351 8.618 -10.464 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.234 9.667 -11.315 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.476 11.090 -11.797 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.250 9.543 -11.518 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.668 7.135 -13.987 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.308 7.404 -12.348 1.00 0.00 H new ATOM 0 HE3 MET A 42 5.568 7.601 -12.668 1.00 0.00 H new ATOM 633 N GLU A 43 3.949 10.091 -8.979 1.00 0.00 N ATOM 634 CA GLU A 43 2.902 9.669 -8.008 1.00 0.00 C ATOM 635 C GLU A 43 2.029 8.582 -8.639 1.00 0.00 C ATOM 636 O GLU A 43 2.168 8.257 -9.802 1.00 0.00 O ATOM 637 CB GLU A 43 2.032 10.872 -7.639 1.00 0.00 C ATOM 638 CG GLU A 43 2.928 12.066 -7.307 1.00 0.00 C ATOM 639 CD GLU A 43 2.059 13.279 -6.968 1.00 0.00 C ATOM 640 OE1 GLU A 43 0.984 13.079 -6.426 1.00 0.00 O ATOM 641 OE2 GLU A 43 2.482 14.386 -7.256 1.00 0.00 O ATOM 0 H GLU A 43 3.612 10.297 -9.919 1.00 0.00 H new ATOM 0 HA GLU A 43 3.378 9.277 -7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.367 11.121 -8.466 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.400 10.629 -6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.577 11.824 -6.465 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.575 12.295 -8.154 1.00 0.00 H new ATOM 648 N VAL A 44 1.130 8.017 -7.881 1.00 0.00 N ATOM 649 CA VAL A 44 0.250 6.951 -8.436 1.00 0.00 C ATOM 650 C VAL A 44 -1.108 6.996 -7.724 1.00 0.00 C ATOM 651 O VAL A 44 -1.227 6.542 -6.604 1.00 0.00 O ATOM 652 CB VAL A 44 0.898 5.585 -8.201 1.00 0.00 C ATOM 653 CG1 VAL A 44 0.122 4.513 -8.968 1.00 0.00 C ATOM 654 CG2 VAL A 44 2.346 5.617 -8.696 1.00 0.00 C ATOM 0 H VAL A 44 0.967 8.248 -6.901 1.00 0.00 H new ATOM 0 HA VAL A 44 0.111 7.111 -9.505 1.00 0.00 H new ATOM 0 HB VAL A 44 0.881 5.353 -7.136 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.584 3.540 -8.801 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.910 4.490 -8.618 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.139 4.744 -10.033 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.809 4.644 -8.529 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.361 5.848 -9.761 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.900 6.381 -8.151 1.00 0.00 H new ATOM 664 N PRO A 45 -2.091 7.542 -8.395 1.00 0.00 N ATOM 665 CA PRO A 45 -3.453 7.658 -7.844 1.00 0.00 C ATOM 666 C PRO A 45 -4.176 6.312 -7.921 1.00 0.00 C ATOM 667 O PRO A 45 -3.579 5.290 -8.191 1.00 0.00 O ATOM 668 CB PRO A 45 -4.123 8.691 -8.753 1.00 0.00 C ATOM 669 CG PRO A 45 -3.328 8.683 -10.080 1.00 0.00 C ATOM 670 CD PRO A 45 -1.943 8.090 -9.758 1.00 0.00 C ATOM 0 HA PRO A 45 -3.467 7.950 -6.794 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.169 8.437 -8.925 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.106 9.680 -8.296 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.840 8.086 -10.835 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.234 9.692 -10.482 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.667 7.314 -10.471 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.164 8.852 -9.798 1.00 0.00 H new ATOM 678 N SER A 46 -5.457 6.307 -7.684 1.00 0.00 N ATOM 679 CA SER A 46 -6.223 5.030 -7.740 1.00 0.00 C ATOM 680 C SER A 46 -6.649 4.753 -9.189 1.00 0.00 C ATOM 681 O SER A 46 -7.451 5.480 -9.741 1.00 0.00 O ATOM 682 CB SER A 46 -7.469 5.150 -6.862 1.00 0.00 C ATOM 683 OG SER A 46 -8.525 4.396 -7.442 1.00 0.00 O ATOM 0 H SER A 46 -6.009 7.133 -7.453 1.00 0.00 H new ATOM 0 HA SER A 46 -5.597 4.213 -7.381 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.256 4.786 -5.857 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.762 6.196 -6.767 1.00 0.00 H new ATOM 0 HG SER A 46 -8.522 3.489 -7.070 1.00 0.00 H new ATOM 689 N PRO A 47 -6.104 3.709 -9.764 1.00 0.00 N ATOM 690 CA PRO A 47 -6.419 3.318 -11.149 1.00 0.00 C ATOM 691 C PRO A 47 -7.770 2.598 -11.204 1.00 0.00 C ATOM 692 O PRO A 47 -8.223 2.184 -12.253 1.00 0.00 O ATOM 693 CB PRO A 47 -5.279 2.368 -11.524 1.00 0.00 C ATOM 694 CG PRO A 47 -4.706 1.827 -10.192 1.00 0.00 C ATOM 695 CD PRO A 47 -5.129 2.823 -9.096 1.00 0.00 C ATOM 0 HA PRO A 47 -6.498 4.167 -11.828 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.642 1.553 -12.150 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.510 2.890 -12.094 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.093 0.830 -9.980 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.620 1.744 -10.242 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.576 2.311 -8.244 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.275 3.385 -8.718 1.00 0.00 H new ATOM 703 N LYS A 48 -8.416 2.449 -10.081 1.00 0.00 N ATOM 704 CA LYS A 48 -9.736 1.759 -10.064 1.00 0.00 C ATOM 705 C LYS A 48 -10.492 2.139 -8.788 1.00 0.00 C ATOM 706 O LYS A 48 -9.955 2.084 -7.699 1.00 0.00 O ATOM 707 CB LYS A 48 -9.522 0.244 -10.100 1.00 0.00 C ATOM 708 CG LYS A 48 -10.767 -0.435 -10.674 1.00 0.00 C ATOM 709 CD LYS A 48 -10.713 -0.394 -12.203 1.00 0.00 C ATOM 710 CE LYS A 48 -11.964 0.304 -12.740 1.00 0.00 C ATOM 711 NZ LYS A 48 -12.194 -0.108 -14.154 1.00 0.00 N ATOM 0 H LYS A 48 -8.086 2.776 -9.173 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.317 2.063 -10.935 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.651 0.004 -10.709 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.322 -0.129 -9.096 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.822 -1.468 -10.329 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.666 0.069 -10.318 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.819 0.136 -12.532 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.649 -1.406 -12.602 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.829 0.045 -12.129 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.844 1.386 -12.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.044 0.366 -14.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.372 0.161 -14.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.326 -1.139 -14.198 1.00 0.00 H new ATOM 725 N ALA A 49 -11.731 2.525 -8.914 1.00 0.00 N ATOM 726 CA ALA A 49 -12.517 2.908 -7.706 1.00 0.00 C ATOM 727 C ALA A 49 -12.865 1.653 -6.902 1.00 0.00 C ATOM 728 O ALA A 49 -13.692 0.859 -7.301 1.00 0.00 O ATOM 729 CB ALA A 49 -13.806 3.610 -8.139 1.00 0.00 C ATOM 0 H ALA A 49 -12.233 2.592 -9.799 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.925 3.582 -7.087 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -14.382 3.890 -7.257 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.559 4.505 -8.711 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -14.397 2.936 -8.759 1.00 0.00 H new ATOM 735 N GLY A 50 -12.240 1.471 -5.770 1.00 0.00 N ATOM 736 CA GLY A 50 -12.536 0.268 -4.942 1.00 0.00 C ATOM 737 C GLY A 50 -12.069 0.509 -3.506 1.00 0.00 C ATOM 738 O GLY A 50 -11.667 1.598 -3.149 1.00 0.00 O ATOM 0 H GLY A 50 -11.538 2.103 -5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.605 0.057 -4.957 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.033 -0.605 -5.357 1.00 0.00 H new ATOM 742 N VAL A 51 -12.120 -0.498 -2.678 1.00 0.00 N ATOM 743 CA VAL A 51 -11.680 -0.325 -1.264 1.00 0.00 C ATOM 744 C VAL A 51 -10.312 -0.982 -1.071 1.00 0.00 C ATOM 745 O VAL A 51 -9.971 -1.937 -1.740 1.00 0.00 O ATOM 746 CB VAL A 51 -12.696 -0.980 -0.328 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.657 -2.498 -0.514 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.350 -0.637 1.122 1.00 0.00 C ATOM 0 H VAL A 51 -12.447 -1.433 -2.919 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.609 0.738 -1.035 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.694 -0.610 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.381 -2.965 0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.903 -2.744 -1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.658 -2.868 -0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.074 -1.104 1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.351 -1.006 1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.377 0.444 1.257 1.00 0.00 H new ATOM 758 N VAL A 52 -9.524 -0.478 -0.159 1.00 0.00 N ATOM 759 CA VAL A 52 -8.179 -1.076 0.076 1.00 0.00 C ATOM 760 C VAL A 52 -8.341 -2.462 0.701 1.00 0.00 C ATOM 761 O VAL A 52 -9.064 -2.641 1.661 1.00 0.00 O ATOM 762 CB VAL A 52 -7.382 -0.179 1.026 1.00 0.00 C ATOM 763 CG1 VAL A 52 -5.988 -0.770 1.235 1.00 0.00 C ATOM 764 CG2 VAL A 52 -7.256 1.220 0.419 1.00 0.00 C ATOM 0 H VAL A 52 -9.754 0.321 0.432 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.649 -1.164 -0.872 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.897 -0.115 1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.420 -0.132 1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.076 -1.767 1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.472 -0.833 0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.689 1.860 1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.740 1.156 -0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.250 1.642 0.268 1.00 0.00 H new ATOM 774 N LYS A 53 -7.673 -3.446 0.165 1.00 0.00 N ATOM 775 CA LYS A 53 -7.790 -4.821 0.730 1.00 0.00 C ATOM 776 C LYS A 53 -6.781 -4.992 1.867 1.00 0.00 C ATOM 777 O LYS A 53 -7.086 -5.551 2.901 1.00 0.00 O ATOM 778 CB LYS A 53 -7.502 -5.849 -0.367 1.00 0.00 C ATOM 779 CG LYS A 53 -8.450 -7.040 -0.209 1.00 0.00 C ATOM 780 CD LYS A 53 -7.981 -7.916 0.954 1.00 0.00 C ATOM 781 CE LYS A 53 -7.516 -9.271 0.418 1.00 0.00 C ATOM 782 NZ LYS A 53 -8.699 -10.147 0.190 1.00 0.00 N ATOM 0 H LYS A 53 -7.052 -3.358 -0.639 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.799 -4.972 1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.632 -5.395 -1.349 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.466 -6.184 -0.304 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.465 -6.688 -0.027 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.475 -7.623 -1.130 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.167 -7.425 1.487 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.792 -8.055 1.669 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.965 -9.136 -0.513 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.834 -9.740 1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.383 -11.069 -0.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.207 -10.285 1.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.334 -9.700 -0.502 1.00 0.00 H new ATOM 796 N SER A 54 -5.579 -4.516 1.685 1.00 0.00 N ATOM 797 CA SER A 54 -4.554 -4.653 2.757 1.00 0.00 C ATOM 798 C SER A 54 -3.245 -4.006 2.300 1.00 0.00 C ATOM 799 O SER A 54 -2.848 -4.127 1.159 1.00 0.00 O ATOM 800 CB SER A 54 -4.315 -6.136 3.047 1.00 0.00 C ATOM 801 OG SER A 54 -3.727 -6.274 4.334 1.00 0.00 O ATOM 0 H SER A 54 -5.263 -4.039 0.841 1.00 0.00 H new ATOM 0 HA SER A 54 -4.907 -4.157 3.661 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.257 -6.683 3.004 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.662 -6.566 2.288 1.00 0.00 H new ATOM 0 HG SER A 54 -3.574 -7.223 4.524 1.00 0.00 H new ATOM 807 N VAL A 55 -2.571 -3.322 3.183 1.00 0.00 N ATOM 808 CA VAL A 55 -1.288 -2.669 2.799 1.00 0.00 C ATOM 809 C VAL A 55 -0.163 -3.704 2.825 1.00 0.00 C ATOM 810 O VAL A 55 0.245 -4.164 3.873 1.00 0.00 O ATOM 811 CB VAL A 55 -0.973 -1.544 3.786 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.153 -0.672 3.226 1.00 0.00 C ATOM 813 CG2 VAL A 55 -2.222 -0.687 3.998 1.00 0.00 C ATOM 0 H VAL A 55 -2.853 -3.187 4.154 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.376 -2.255 1.795 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.660 -1.974 4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.377 0.130 3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.044 -1.281 3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.159 -0.242 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.998 0.115 4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.535 -0.258 3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.025 -1.307 4.398 1.00 0.00 H new ATOM 823 N SER A 56 0.340 -4.076 1.680 1.00 0.00 N ATOM 824 CA SER A 56 1.438 -5.084 1.640 1.00 0.00 C ATOM 825 C SER A 56 2.791 -4.374 1.723 1.00 0.00 C ATOM 826 O SER A 56 3.831 -4.981 1.565 1.00 0.00 O ATOM 827 CB SER A 56 1.356 -5.872 0.332 1.00 0.00 C ATOM 828 OG SER A 56 2.018 -5.147 -0.695 1.00 0.00 O ATOM 0 H SER A 56 0.039 -3.726 0.771 1.00 0.00 H new ATOM 0 HA SER A 56 1.335 -5.765 2.485 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.816 -6.852 0.455 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.314 -6.041 0.060 1.00 0.00 H new ATOM 0 HG SER A 56 1.696 -4.221 -0.702 1.00 0.00 H new ATOM 834 N VAL A 57 2.787 -3.092 1.968 1.00 0.00 N ATOM 835 CA VAL A 57 4.074 -2.348 2.059 1.00 0.00 C ATOM 836 C VAL A 57 4.006 -1.349 3.216 1.00 0.00 C ATOM 837 O VAL A 57 3.025 -1.278 3.931 1.00 0.00 O ATOM 838 CB VAL A 57 4.322 -1.596 0.750 1.00 0.00 C ATOM 839 CG1 VAL A 57 4.853 -2.567 -0.304 1.00 0.00 C ATOM 840 CG2 VAL A 57 3.009 -0.981 0.260 1.00 0.00 C ATOM 0 H VAL A 57 1.948 -2.529 2.109 1.00 0.00 H new ATOM 0 HA VAL A 57 4.888 -3.051 2.234 1.00 0.00 H new ATOM 0 HB VAL A 57 5.054 -0.806 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.030 -2.031 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.788 -3.007 0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.121 -3.357 -0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.184 -0.445 -0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.277 -1.771 0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.629 -0.288 1.011 1.00 0.00 H new ATOM 850 N LYS A 58 5.040 -0.576 3.407 1.00 0.00 N ATOM 851 CA LYS A 58 5.034 0.416 4.518 1.00 0.00 C ATOM 852 C LYS A 58 5.488 1.778 3.989 1.00 0.00 C ATOM 853 O LYS A 58 5.937 1.900 2.867 1.00 0.00 O ATOM 854 CB LYS A 58 5.990 -0.046 5.621 1.00 0.00 C ATOM 855 CG LYS A 58 5.268 -0.015 6.969 1.00 0.00 C ATOM 856 CD LYS A 58 4.133 -1.041 6.964 1.00 0.00 C ATOM 857 CE LYS A 58 3.729 -1.363 8.405 1.00 0.00 C ATOM 858 NZ LYS A 58 2.753 -0.344 8.886 1.00 0.00 N ATOM 0 H LYS A 58 5.889 -0.589 2.841 1.00 0.00 H new ATOM 0 HA LYS A 58 4.025 0.501 4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.345 -1.055 5.410 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.867 0.601 5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.969 -0.236 7.774 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.870 0.982 7.158 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.277 -0.650 6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.452 -1.949 6.453 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.287 -2.358 8.457 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.609 -1.371 9.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.478 -0.562 9.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.190 0.599 8.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.909 -0.357 8.278 1.00 0.00 H new ATOM 872 N LEU A 59 5.375 2.804 4.789 1.00 0.00 N ATOM 873 CA LEU A 59 5.801 4.156 4.331 1.00 0.00 C ATOM 874 C LEU A 59 7.305 4.320 4.556 1.00 0.00 C ATOM 875 O LEU A 59 7.821 4.020 5.614 1.00 0.00 O ATOM 876 CB LEU A 59 5.048 5.224 5.125 1.00 0.00 C ATOM 877 CG LEU A 59 5.564 5.250 6.565 1.00 0.00 C ATOM 878 CD1 LEU A 59 6.611 6.355 6.713 1.00 0.00 C ATOM 879 CD2 LEU A 59 4.398 5.521 7.519 1.00 0.00 C ATOM 0 H LEU A 59 5.006 2.764 5.739 1.00 0.00 H new ATOM 0 HA LEU A 59 5.578 4.267 3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.185 6.201 4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.979 5.013 5.115 1.00 0.00 H new ATOM 0 HG LEU A 59 6.016 4.288 6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.978 6.373 7.739 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.441 6.163 6.034 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.160 7.318 6.472 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.764 5.540 8.545 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.946 6.483 7.277 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.652 4.733 7.415 1.00 0.00 H new ATOM 891 N GLY A 60 8.015 4.793 3.568 1.00 0.00 N ATOM 892 CA GLY A 60 9.486 4.975 3.726 1.00 0.00 C ATOM 893 C GLY A 60 10.209 3.703 3.282 1.00 0.00 C ATOM 894 O GLY A 60 11.415 3.680 3.140 1.00 0.00 O ATOM 0 H GLY A 60 7.640 5.061 2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.824 5.824 3.132 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.726 5.198 4.766 1.00 0.00 H new ATOM 898 N ASP A 61 9.481 2.642 3.061 1.00 0.00 N ATOM 899 CA ASP A 61 10.128 1.372 2.627 1.00 0.00 C ATOM 900 C ASP A 61 10.390 1.424 1.120 1.00 0.00 C ATOM 901 O ASP A 61 9.592 1.933 0.358 1.00 0.00 O ATOM 902 CB ASP A 61 9.203 0.194 2.941 1.00 0.00 C ATOM 903 CG ASP A 61 9.502 -0.328 4.348 1.00 0.00 C ATOM 904 OD1 ASP A 61 10.513 0.069 4.904 1.00 0.00 O ATOM 905 OD2 ASP A 61 8.714 -1.116 4.845 1.00 0.00 O ATOM 0 H ASP A 61 8.467 2.600 3.162 1.00 0.00 H new ATOM 0 HA ASP A 61 11.071 1.245 3.158 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.161 0.507 2.871 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.347 -0.600 2.209 1.00 0.00 H new ATOM 910 N LYS A 62 11.504 0.902 0.683 1.00 0.00 N ATOM 911 CA LYS A 62 11.815 0.922 -0.774 1.00 0.00 C ATOM 912 C LYS A 62 11.483 -0.441 -1.385 1.00 0.00 C ATOM 913 O LYS A 62 11.532 -1.458 -0.721 1.00 0.00 O ATOM 914 CB LYS A 62 13.302 1.223 -0.974 1.00 0.00 C ATOM 915 CG LYS A 62 14.136 0.053 -0.449 1.00 0.00 C ATOM 916 CD LYS A 62 15.512 0.560 -0.012 1.00 0.00 C ATOM 917 CE LYS A 62 16.119 -0.414 0.998 1.00 0.00 C ATOM 918 NZ LYS A 62 16.448 -1.696 0.314 1.00 0.00 N ATOM 0 H LYS A 62 12.212 0.463 1.272 1.00 0.00 H new ATOM 0 HA LYS A 62 11.220 1.693 -1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.511 1.387 -2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.572 2.140 -0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.628 -0.421 0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.246 -0.705 -1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.167 0.657 -0.878 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.422 1.551 0.432 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.018 0.016 1.440 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.418 -0.594 1.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.953 -2.322 0.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.570 -2.158 0.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.051 -1.504 -0.511 1.00 0.00 H new ATOM 932 N LEU A 63 11.144 -0.471 -2.645 1.00 0.00 N ATOM 933 CA LEU A 63 10.810 -1.768 -3.296 1.00 0.00 C ATOM 934 C LEU A 63 11.435 -1.815 -4.691 1.00 0.00 C ATOM 935 O LEU A 63 11.917 -0.824 -5.200 1.00 0.00 O ATOM 936 CB LEU A 63 9.289 -1.903 -3.413 1.00 0.00 C ATOM 937 CG LEU A 63 8.676 -1.997 -2.014 1.00 0.00 C ATOM 938 CD1 LEU A 63 8.606 -0.601 -1.393 1.00 0.00 C ATOM 939 CD2 LEU A 63 7.265 -2.580 -2.115 1.00 0.00 C ATOM 0 H LEU A 63 11.084 0.347 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 63 11.203 -2.588 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.877 -1.046 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.036 -2.790 -3.993 1.00 0.00 H new ATOM 0 HG LEU A 63 9.293 -2.642 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.169 -0.668 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.610 -0.184 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.988 0.044 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.827 -2.648 -1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.648 -1.934 -2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.313 -3.575 -2.558 1.00 0.00 H new ATOM 951 N LYS A 64 11.431 -2.963 -5.315 1.00 0.00 N ATOM 952 CA LYS A 64 12.026 -3.072 -6.677 1.00 0.00 C ATOM 953 C LYS A 64 10.908 -3.214 -7.712 1.00 0.00 C ATOM 954 O LYS A 64 9.876 -3.800 -7.449 1.00 0.00 O ATOM 955 CB LYS A 64 12.936 -4.301 -6.738 1.00 0.00 C ATOM 956 CG LYS A 64 14.135 -4.004 -7.640 1.00 0.00 C ATOM 957 CD LYS A 64 13.824 -4.455 -9.069 1.00 0.00 C ATOM 958 CE LYS A 64 13.785 -5.982 -9.125 1.00 0.00 C ATOM 959 NZ LYS A 64 13.058 -6.416 -10.352 1.00 0.00 N ATOM 0 H LYS A 64 11.042 -3.828 -4.940 1.00 0.00 H new ATOM 0 HA LYS A 64 12.609 -2.176 -6.892 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.277 -4.564 -5.737 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.382 -5.158 -7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.359 -2.937 -7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.020 -4.521 -7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.867 -4.044 -9.391 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.581 -4.075 -9.755 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.799 -6.382 -9.129 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.290 -6.377 -8.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.061 -7.454 -10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.077 -6.074 -10.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.529 -6.023 -11.192 1.00 0.00 H new ATOM 973 N GLU A 65 11.104 -2.680 -8.887 1.00 0.00 N ATOM 974 CA GLU A 65 10.055 -2.781 -9.939 1.00 0.00 C ATOM 975 C GLU A 65 9.476 -4.196 -9.953 1.00 0.00 C ATOM 976 O GLU A 65 10.190 -5.171 -9.827 1.00 0.00 O ATOM 977 CB GLU A 65 10.673 -2.470 -11.305 1.00 0.00 C ATOM 978 CG GLU A 65 10.382 -1.015 -11.678 1.00 0.00 C ATOM 979 CD GLU A 65 10.565 -0.828 -13.185 1.00 0.00 C ATOM 980 OE1 GLU A 65 9.727 -1.310 -13.929 1.00 0.00 O ATOM 981 OE2 GLU A 65 11.541 -0.206 -13.571 1.00 0.00 O ATOM 0 H GLU A 65 11.947 -2.177 -9.163 1.00 0.00 H new ATOM 0 HA GLU A 65 9.259 -2.067 -9.727 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.749 -2.641 -11.276 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.264 -3.139 -12.062 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.365 -0.751 -11.389 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.051 -0.348 -11.134 1.00 0.00 H new ATOM 988 N GLY A 66 8.185 -4.318 -10.104 1.00 0.00 N ATOM 989 CA GLY A 66 7.561 -5.671 -10.125 1.00 0.00 C ATOM 990 C GLY A 66 7.088 -6.040 -8.718 1.00 0.00 C ATOM 991 O GLY A 66 6.444 -7.050 -8.515 1.00 0.00 O ATOM 0 H GLY A 66 7.536 -3.539 -10.214 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.719 -5.684 -10.817 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.279 -6.408 -10.483 1.00 0.00 H new ATOM 995 N ASP A 67 7.401 -5.230 -7.743 1.00 0.00 N ATOM 996 CA ASP A 67 6.967 -5.538 -6.351 1.00 0.00 C ATOM 997 C ASP A 67 5.528 -5.058 -6.147 1.00 0.00 C ATOM 998 O ASP A 67 5.115 -4.056 -6.697 1.00 0.00 O ATOM 999 CB ASP A 67 7.888 -4.824 -5.360 1.00 0.00 C ATOM 1000 CG ASP A 67 9.074 -5.729 -5.021 1.00 0.00 C ATOM 1001 OD1 ASP A 67 9.925 -5.901 -5.878 1.00 0.00 O ATOM 1002 OD2 ASP A 67 9.111 -6.233 -3.911 1.00 0.00 O ATOM 0 H ASP A 67 7.938 -4.369 -7.850 1.00 0.00 H new ATOM 0 HA ASP A 67 7.018 -6.614 -6.184 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.243 -3.887 -5.788 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.338 -4.572 -4.453 1.00 0.00 H new ATOM 1007 N ALA A 68 4.762 -5.764 -5.362 1.00 0.00 N ATOM 1008 CA ALA A 68 3.352 -5.347 -5.124 1.00 0.00 C ATOM 1009 C ALA A 68 3.319 -4.246 -4.062 1.00 0.00 C ATOM 1010 O ALA A 68 4.274 -4.039 -3.340 1.00 0.00 O ATOM 1011 CB ALA A 68 2.538 -6.549 -4.640 1.00 0.00 C ATOM 0 H ALA A 68 5.052 -6.612 -4.875 1.00 0.00 H new ATOM 0 HA ALA A 68 2.923 -4.970 -6.052 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.506 -6.243 -4.466 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.561 -7.333 -5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.966 -6.928 -3.712 1.00 0.00 H new ATOM 1017 N ILE A 69 2.228 -3.536 -3.960 1.00 0.00 N ATOM 1018 CA ILE A 69 2.139 -2.450 -2.945 1.00 0.00 C ATOM 1019 C ILE A 69 0.802 -2.548 -2.206 1.00 0.00 C ATOM 1020 O ILE A 69 0.757 -2.633 -0.995 1.00 0.00 O ATOM 1021 CB ILE A 69 2.237 -1.092 -3.642 1.00 0.00 C ATOM 1022 CG1 ILE A 69 3.643 -0.919 -4.222 1.00 0.00 C ATOM 1023 CG2 ILE A 69 1.964 0.023 -2.630 1.00 0.00 C ATOM 1024 CD1 ILE A 69 3.700 -1.540 -5.618 1.00 0.00 C ATOM 0 H ILE A 69 1.395 -3.662 -4.536 1.00 0.00 H new ATOM 0 HA ILE A 69 2.956 -2.553 -2.231 1.00 0.00 H new ATOM 0 HB ILE A 69 1.502 -1.042 -4.445 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.899 0.139 -4.273 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.377 -1.394 -3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.034 0.991 -3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.964 -0.100 -2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.699 -0.026 -1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.701 -1.417 -6.031 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.462 -2.602 -5.554 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.977 -1.045 -6.266 1.00 0.00 H new ATOM 1036 N ILE A 70 -0.287 -2.534 -2.925 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.619 -2.625 -2.260 1.00 0.00 C ATOM 1038 C ILE A 70 -2.584 -3.404 -3.155 1.00 0.00 C ATOM 1039 O ILE A 70 -2.203 -3.947 -4.173 1.00 0.00 O ATOM 1040 CB ILE A 70 -2.166 -1.217 -2.025 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -2.142 -0.434 -3.340 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -1.300 -0.497 -0.990 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -3.054 0.788 -3.225 1.00 0.00 C ATOM 0 H ILE A 70 -0.313 -2.464 -3.942 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.515 -3.140 -1.305 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.190 -1.284 -1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.124 -0.120 -3.570 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.472 -1.071 -4.161 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.691 0.507 -0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.316 -1.053 -0.052 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.275 -0.431 -1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.036 1.345 -4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.073 0.463 -3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.704 1.429 -2.416 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.833 -3.464 -2.783 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.823 -4.208 -3.612 1.00 0.00 C ATOM 1057 C GLU A 71 -6.185 -3.516 -3.525 1.00 0.00 C ATOM 1058 O GLU A 71 -6.479 -2.820 -2.574 1.00 0.00 O ATOM 1059 CB GLU A 71 -4.947 -5.644 -3.093 1.00 0.00 C ATOM 1060 CG GLU A 71 -3.774 -6.477 -3.612 1.00 0.00 C ATOM 1061 CD GLU A 71 -3.009 -7.072 -2.429 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -2.905 -6.398 -1.416 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -2.540 -8.192 -2.554 1.00 0.00 O ATOM 0 H GLU A 71 -4.211 -3.030 -1.941 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.489 -4.223 -4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.956 -5.649 -2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.890 -6.081 -3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.139 -7.273 -4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.110 -5.855 -4.213 1.00 0.00 H new ATOM 1070 N LEU A 72 -7.019 -3.701 -4.512 1.00 0.00 N ATOM 1071 CA LEU A 72 -8.361 -3.054 -4.485 1.00 0.00 C ATOM 1072 C LEU A 72 -9.436 -4.097 -4.795 1.00 0.00 C ATOM 1073 O LEU A 72 -9.372 -4.791 -5.791 1.00 0.00 O ATOM 1074 CB LEU A 72 -8.412 -1.941 -5.535 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.850 -1.442 -5.682 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.844 0.068 -5.931 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -10.516 -2.150 -6.864 1.00 0.00 C ATOM 0 H LEU A 72 -6.829 -4.272 -5.335 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.540 -2.630 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.759 -1.119 -5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.045 -2.312 -6.492 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.404 -1.657 -4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.869 0.424 -6.036 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.369 0.573 -5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.290 0.284 -6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.541 -1.795 -6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.961 -1.934 -7.777 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.521 -3.226 -6.688 1.00 0.00 H new ATOM 1089 N GLU A 73 -10.424 -4.215 -3.950 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.501 -5.214 -4.197 1.00 0.00 C ATOM 1091 C GLU A 73 -12.692 -4.527 -4.872 1.00 0.00 C ATOM 1092 O GLU A 73 -12.941 -3.359 -4.646 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.949 -5.820 -2.866 1.00 0.00 C ATOM 1094 CG GLU A 73 -11.754 -7.337 -2.903 1.00 0.00 C ATOM 1095 CD GLU A 73 -12.936 -8.021 -2.215 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -13.262 -7.625 -1.108 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -13.497 -8.928 -2.808 1.00 0.00 O ATOM 0 H GLU A 73 -10.531 -3.662 -3.099 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.122 -6.003 -4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.374 -5.389 -2.046 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.996 -5.582 -2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.673 -7.679 -3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.823 -7.607 -2.404 1.00 0.00 H new ATOM 1104 N PRO A 74 -13.395 -5.278 -5.682 1.00 0.00 N ATOM 1105 CA PRO A 74 -14.571 -4.775 -6.411 1.00 0.00 C ATOM 1106 C PRO A 74 -15.787 -4.708 -5.482 1.00 0.00 C ATOM 1107 O PRO A 74 -16.686 -3.912 -5.675 1.00 0.00 O ATOM 1108 CB PRO A 74 -14.783 -5.816 -7.514 1.00 0.00 C ATOM 1109 CG PRO A 74 -14.099 -7.115 -7.023 1.00 0.00 C ATOM 1110 CD PRO A 74 -13.080 -6.697 -5.947 1.00 0.00 C ATOM 0 HA PRO A 74 -14.433 -3.768 -6.804 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.845 -5.980 -7.695 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.348 -5.479 -8.455 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.833 -7.808 -6.613 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.603 -7.627 -7.848 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.181 -7.302 -5.046 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.056 -6.819 -6.300 1.00 0.00 H new ATOM 1118 N ALA A 75 -15.824 -5.538 -4.475 1.00 0.00 N ATOM 1119 CA ALA A 75 -16.980 -5.520 -3.537 1.00 0.00 C ATOM 1120 C ALA A 75 -18.189 -6.178 -4.206 1.00 0.00 C ATOM 1121 O ALA A 75 -18.469 -5.950 -5.366 1.00 0.00 O ATOM 1122 CB ALA A 75 -17.322 -4.073 -3.175 1.00 0.00 C ATOM 0 H ALA A 75 -15.103 -6.227 -4.262 1.00 0.00 H new ATOM 0 HA ALA A 75 -16.722 -6.069 -2.631 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.168 -4.060 -2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -16.461 -3.604 -2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -17.581 -3.523 -4.080 1.00 0.00 H new ATOM 1128 N ALA A 76 -18.907 -6.994 -3.484 1.00 0.00 N ATOM 1129 CA ALA A 76 -20.097 -7.664 -4.080 1.00 0.00 C ATOM 1130 C ALA A 76 -19.636 -8.798 -4.998 1.00 0.00 C ATOM 1131 O ALA A 76 -20.384 -9.285 -5.822 1.00 0.00 O ATOM 1132 CB ALA A 76 -20.903 -6.646 -4.891 1.00 0.00 C ATOM 0 H ALA A 76 -18.721 -7.225 -2.508 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.722 -8.071 -3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -21.774 -7.136 -5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -21.231 -5.838 -4.237 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.279 -6.239 -5.687 1.00 0.00 H new ATOM 1138 N GLY A 77 -18.410 -9.222 -4.862 1.00 0.00 N ATOM 1139 CA GLY A 77 -17.902 -10.325 -5.727 1.00 0.00 C ATOM 1140 C GLY A 77 -17.648 -11.568 -4.874 1.00 0.00 C ATOM 1141 O GLY A 77 -16.527 -11.865 -4.510 1.00 0.00 O ATOM 0 H GLY A 77 -17.738 -8.853 -4.190 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -18.626 -10.550 -6.510 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.982 -10.017 -6.223 1.00 0.00 H new ATOM 1145 N ALA A 78 -18.680 -12.299 -4.552 1.00 0.00 N ATOM 1146 CA ALA A 78 -18.496 -13.523 -3.722 1.00 0.00 C ATOM 1147 C ALA A 78 -17.481 -14.449 -4.396 1.00 0.00 C ATOM 1148 O ALA A 78 -17.764 -15.067 -5.403 1.00 0.00 O ATOM 1149 CB ALA A 78 -19.835 -14.249 -3.581 1.00 0.00 C ATOM 0 H ALA A 78 -19.642 -12.102 -4.828 1.00 0.00 H new ATOM 0 HA ALA A 78 -18.130 -13.241 -2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -19.701 -15.144 -2.974 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -20.558 -13.589 -3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -20.202 -14.531 -4.568 1.00 0.00 H new ATOM 1155 N ARG A 79 -16.300 -14.549 -3.849 1.00 0.00 N ATOM 1156 CA ARG A 79 -15.270 -15.434 -4.460 1.00 0.00 C ATOM 1157 C ARG A 79 -15.701 -16.895 -4.316 1.00 0.00 C ATOM 1158 O ARG A 79 -15.643 -17.610 -5.303 1.00 0.00 O ATOM 1159 CB ARG A 79 -13.931 -15.226 -3.748 1.00 0.00 C ATOM 1160 CG ARG A 79 -14.106 -15.477 -2.249 1.00 0.00 C ATOM 1161 CD ARG A 79 -13.313 -16.721 -1.844 1.00 0.00 C ATOM 1162 NE ARG A 79 -13.265 -16.817 -0.357 1.00 0.00 N ATOM 1163 CZ ARG A 79 -12.388 -16.123 0.315 1.00 0.00 C ATOM 1164 NH1 ARG A 79 -12.629 -14.874 0.606 1.00 0.00 N ATOM 1165 NH2 ARG A 79 -11.269 -16.677 0.694 1.00 0.00 N ATOM 0 H ARG A 79 -16.005 -14.056 -3.006 1.00 0.00 H new ATOM 0 HA ARG A 79 -15.163 -15.189 -5.517 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.181 -15.904 -4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.570 -14.212 -3.918 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.761 -14.612 -1.682 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -15.161 -15.613 -2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -13.778 -17.614 -2.262 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.302 -16.669 -2.249 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.918 -17.426 0.136 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.503 -14.440 0.308 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.944 -14.331 1.131 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.080 -17.653 0.465 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.584 -16.134 1.219 1.00 0.00 H new TER 1179 ARG A 79