USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 617 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 Set 1.1: A 17 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.059) USER MOD Set 1.2: A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.022) USER MOD Single : A 13 GLN : amide:sc= -0.0527 X(o=-0.053,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.868 USER MOD Single : A 31 GLN : amide:sc= -0.0748 X(o=-0.075,f=-0.11) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc=-0.00655 K(o=-0.0065,f=-0.68) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.164 K(o=-0.16,f=-2.4!) USER MOD Single : A 65 ASN : amide:sc= 0.216 K(o=0.22,f=-1.3) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.848 7.521 -13.527 1.00 0.00 N ATOM 60 CA GLY A 7 5.565 6.852 -13.655 1.00 0.00 C ATOM 61 C GLY A 7 4.904 6.666 -12.288 1.00 0.00 C ATOM 62 O GLY A 7 5.256 5.753 -11.543 1.00 0.00 O ATOM 0 HA2 GLY A 7 4.910 7.435 -14.303 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.703 5.881 -14.131 1.00 0.00 H new ATOM 66 N LEU A 8 3.957 7.546 -12.000 1.00 0.00 N ATOM 67 CA LEU A 8 3.243 7.491 -10.735 1.00 0.00 C ATOM 68 C LEU A 8 2.890 6.037 -10.417 1.00 0.00 C ATOM 69 O LEU A 8 3.445 5.448 -9.491 1.00 0.00 O ATOM 70 CB LEU A 8 2.033 8.426 -10.761 1.00 0.00 C ATOM 71 CG LEU A 8 2.332 9.916 -10.590 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.051 10.748 -10.681 1.00 0.00 C ATOM 73 CD2 LEU A 8 3.093 10.176 -9.287 1.00 0.00 C ATOM 0 H LEU A 8 3.667 8.302 -12.621 1.00 0.00 H new ATOM 0 HA LEU A 8 3.876 7.851 -9.924 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.512 8.287 -11.708 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.346 8.121 -9.972 1.00 0.00 H new ATOM 0 HG LEU A 8 2.978 10.230 -11.410 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.293 11.803 -10.556 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.586 10.595 -11.655 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.360 10.439 -9.897 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.293 11.243 -9.189 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.492 9.841 -8.442 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.036 9.630 -9.301 1.00 0.00 H new ATOM 85 N ARG A 9 1.969 5.499 -11.203 1.00 0.00 N ATOM 86 CA ARG A 9 1.535 4.125 -11.017 1.00 0.00 C ATOM 87 C ARG A 9 2.746 3.204 -10.851 1.00 0.00 C ATOM 88 O ARG A 9 2.689 2.226 -10.107 1.00 0.00 O ATOM 89 CB ARG A 9 0.698 3.646 -12.205 1.00 0.00 C ATOM 90 CG ARG A 9 -0.722 3.285 -11.764 1.00 0.00 C ATOM 91 CD ARG A 9 -1.685 3.296 -12.953 1.00 0.00 C ATOM 92 NE ARG A 9 -2.773 4.271 -12.715 1.00 0.00 N ATOM 93 CZ ARG A 9 -2.690 5.576 -13.008 1.00 0.00 C ATOM 94 NH1 ARG A 9 -1.570 6.071 -13.553 1.00 0.00 N ATOM 95 NH2 ARG A 9 -3.727 6.386 -12.757 1.00 0.00 N ATOM 0 H ARG A 9 1.511 5.990 -11.971 1.00 0.00 H new ATOM 0 HA ARG A 9 0.921 4.090 -10.117 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.659 4.426 -12.965 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.173 2.778 -12.663 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.723 2.299 -11.300 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.063 3.993 -11.009 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.147 3.555 -13.865 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.104 2.301 -13.102 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.640 3.928 -12.302 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.781 5.454 -13.745 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.507 7.064 -13.776 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.580 6.009 -12.343 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.664 7.379 -12.980 1.00 0.00 H new ATOM 109 N GLU A 10 3.813 3.550 -11.557 1.00 0.00 N ATOM 110 CA GLU A 10 5.035 2.766 -11.497 1.00 0.00 C ATOM 111 C GLU A 10 5.735 2.977 -10.153 1.00 0.00 C ATOM 112 O GLU A 10 6.370 2.062 -9.630 1.00 0.00 O ATOM 113 CB GLU A 10 5.967 3.113 -12.660 1.00 0.00 C ATOM 114 CG GLU A 10 5.881 2.058 -13.765 1.00 0.00 C ATOM 115 CD GLU A 10 6.606 0.775 -13.355 1.00 0.00 C ATOM 116 OE1 GLU A 10 7.654 0.904 -12.686 1.00 0.00 O ATOM 117 OE2 GLU A 10 6.096 -0.307 -13.719 1.00 0.00 O ATOM 0 H GLU A 10 3.856 4.362 -12.173 1.00 0.00 H new ATOM 0 HA GLU A 10 4.772 1.712 -11.587 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.702 4.090 -13.064 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.993 3.184 -12.300 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.836 1.836 -13.981 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.319 2.450 -14.682 1.00 0.00 H new ATOM 124 N GLN A 11 5.596 4.187 -9.632 1.00 0.00 N ATOM 125 CA GLN A 11 6.207 4.529 -8.359 1.00 0.00 C ATOM 126 C GLN A 11 5.581 3.705 -7.232 1.00 0.00 C ATOM 127 O GLN A 11 6.268 2.926 -6.573 1.00 0.00 O ATOM 128 CB GLN A 11 6.084 6.028 -8.077 1.00 0.00 C ATOM 129 CG GLN A 11 7.229 6.804 -8.729 1.00 0.00 C ATOM 130 CD GLN A 11 7.476 8.129 -8.005 1.00 0.00 C ATOM 131 OE1 GLN A 11 8.390 8.270 -7.209 1.00 0.00 O ATOM 132 NE2 GLN A 11 6.612 9.089 -8.323 1.00 0.00 N ATOM 0 H GLN A 11 5.069 4.943 -10.069 1.00 0.00 H new ATOM 0 HA GLN A 11 7.269 4.289 -8.411 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.130 6.396 -8.454 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.089 6.201 -7.001 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.137 6.202 -8.712 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.993 6.996 -9.776 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.870 8.904 -8.998 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.692 10.010 -7.892 1.00 0.00 H new ATOM 141 N VAL A 12 4.285 3.906 -7.044 1.00 0.00 N ATOM 142 CA VAL A 12 3.559 3.192 -6.008 1.00 0.00 C ATOM 143 C VAL A 12 3.749 1.687 -6.204 1.00 0.00 C ATOM 144 O VAL A 12 4.014 0.961 -5.247 1.00 0.00 O ATOM 145 CB VAL A 12 2.089 3.615 -6.013 1.00 0.00 C ATOM 146 CG1 VAL A 12 1.366 3.100 -4.767 1.00 0.00 C ATOM 147 CG2 VAL A 12 1.956 5.134 -6.135 1.00 0.00 C ATOM 0 H VAL A 12 3.719 4.554 -7.592 1.00 0.00 H new ATOM 0 HA VAL A 12 3.952 3.444 -5.023 1.00 0.00 H new ATOM 0 HB VAL A 12 1.614 3.166 -6.885 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.323 3.415 -4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.416 2.011 -4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.843 3.506 -3.875 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.901 5.408 -6.136 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.454 5.612 -5.291 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.418 5.466 -7.065 1.00 0.00 H new ATOM 157 N GLN A 13 3.605 1.262 -7.450 1.00 0.00 N ATOM 158 CA GLN A 13 3.757 -0.144 -7.784 1.00 0.00 C ATOM 159 C GLN A 13 5.054 -0.695 -7.185 1.00 0.00 C ATOM 160 O GLN A 13 5.143 -1.881 -6.873 1.00 0.00 O ATOM 161 CB GLN A 13 3.720 -0.356 -9.299 1.00 0.00 C ATOM 162 CG GLN A 13 2.303 -0.686 -9.772 1.00 0.00 C ATOM 163 CD GLN A 13 2.319 -1.820 -10.799 1.00 0.00 C ATOM 164 OE1 GLN A 13 2.009 -1.639 -11.966 1.00 0.00 O ATOM 165 NE2 GLN A 13 2.695 -2.995 -10.303 1.00 0.00 N ATOM 0 H GLN A 13 3.385 1.867 -8.241 1.00 0.00 H new ATOM 0 HA GLN A 13 2.919 -0.692 -7.353 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.076 0.542 -9.804 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.397 -1.165 -9.573 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.688 -0.972 -8.919 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.846 0.201 -10.211 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.941 -3.077 -9.317 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.737 -3.814 -10.909 1.00 0.00 H new ATOM 174 N ASP A 14 6.026 0.194 -7.043 1.00 0.00 N ATOM 175 CA ASP A 14 7.313 -0.188 -6.488 1.00 0.00 C ATOM 176 C ASP A 14 7.264 -0.062 -4.964 1.00 0.00 C ATOM 177 O ASP A 14 7.820 -0.895 -4.250 1.00 0.00 O ATOM 178 CB ASP A 14 8.428 0.725 -7.001 1.00 0.00 C ATOM 179 CG ASP A 14 9.827 0.107 -6.992 1.00 0.00 C ATOM 180 OD1 ASP A 14 10.387 -0.013 -5.881 1.00 0.00 O ATOM 181 OD2 ASP A 14 10.305 -0.233 -8.096 1.00 0.00 O ATOM 0 H ASP A 14 5.948 1.177 -7.303 1.00 0.00 H new ATOM 0 HA ASP A 14 7.519 -1.214 -6.792 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.188 1.028 -8.020 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.443 1.630 -6.394 1.00 0.00 H new ATOM 186 N LEU A 15 6.593 0.987 -4.510 1.00 0.00 N ATOM 187 CA LEU A 15 6.463 1.233 -3.084 1.00 0.00 C ATOM 188 C LEU A 15 5.895 -0.015 -2.405 1.00 0.00 C ATOM 189 O LEU A 15 6.608 -0.715 -1.688 1.00 0.00 O ATOM 190 CB LEU A 15 5.642 2.499 -2.831 1.00 0.00 C ATOM 191 CG LEU A 15 5.270 2.776 -1.373 1.00 0.00 C ATOM 192 CD1 LEU A 15 6.512 3.108 -0.544 1.00 0.00 C ATOM 193 CD2 LEU A 15 4.207 3.873 -1.278 1.00 0.00 C ATOM 0 H LEU A 15 6.134 1.676 -5.105 1.00 0.00 H new ATOM 0 HA LEU A 15 7.440 1.421 -2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.202 3.353 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.723 2.435 -3.414 1.00 0.00 H new ATOM 0 HG LEU A 15 4.836 1.869 -0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.220 3.301 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.205 2.267 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.998 3.993 -0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.960 4.051 -0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.591 4.792 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.311 3.559 -1.814 1.00 0.00 H new ATOM 205 N PHE A 16 4.616 -0.256 -2.656 1.00 0.00 N ATOM 206 CA PHE A 16 3.944 -1.407 -2.078 1.00 0.00 C ATOM 207 C PHE A 16 4.809 -2.663 -2.196 1.00 0.00 C ATOM 208 O PHE A 16 4.766 -3.534 -1.328 1.00 0.00 O ATOM 209 CB PHE A 16 2.652 -1.615 -2.870 1.00 0.00 C ATOM 210 CG PHE A 16 1.521 -0.662 -2.478 1.00 0.00 C ATOM 211 CD1 PHE A 16 1.801 0.485 -1.803 1.00 0.00 C ATOM 212 CD2 PHE A 16 0.235 -0.962 -2.804 1.00 0.00 C ATOM 213 CE1 PHE A 16 0.751 1.369 -1.439 1.00 0.00 C ATOM 214 CE2 PHE A 16 -0.815 -0.078 -2.440 1.00 0.00 C ATOM 215 CZ PHE A 16 -0.535 1.069 -1.765 1.00 0.00 C ATOM 0 H PHE A 16 4.028 0.326 -3.252 1.00 0.00 H new ATOM 0 HA PHE A 16 3.749 -1.231 -1.020 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.865 -1.492 -3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.313 -2.641 -2.730 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.822 0.724 -1.544 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.012 -1.873 -3.340 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.974 2.280 -0.903 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.836 -0.317 -2.699 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.333 1.741 -1.488 1.00 0.00 H new ATOM 225 N ASN A 17 5.573 -2.717 -3.277 1.00 0.00 N ATOM 226 CA ASN A 17 6.447 -3.852 -3.520 1.00 0.00 C ATOM 227 C ASN A 17 7.616 -3.811 -2.533 1.00 0.00 C ATOM 228 O ASN A 17 7.859 -4.778 -1.813 1.00 0.00 O ATOM 229 CB ASN A 17 7.022 -3.811 -4.937 1.00 0.00 C ATOM 230 CG ASN A 17 6.132 -4.584 -5.912 1.00 0.00 C ATOM 231 OD1 ASN A 17 6.597 -5.242 -6.828 1.00 0.00 O ATOM 232 ND2 ASN A 17 4.831 -4.467 -5.666 1.00 0.00 N ATOM 0 H ASN A 17 5.605 -1.993 -3.995 1.00 0.00 H new ATOM 0 HA ASN A 17 5.860 -4.762 -3.396 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.115 -2.776 -5.266 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.025 -4.237 -4.939 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.154 -4.944 -6.261 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.509 -3.900 -4.882 1.00 0.00 H new ATOM 239 N LYS A 18 8.308 -2.682 -2.532 1.00 0.00 N ATOM 240 CA LYS A 18 9.445 -2.502 -1.646 1.00 0.00 C ATOM 241 C LYS A 18 8.991 -2.683 -0.197 1.00 0.00 C ATOM 242 O LYS A 18 9.561 -3.486 0.541 1.00 0.00 O ATOM 243 CB LYS A 18 10.126 -1.158 -1.914 1.00 0.00 C ATOM 244 CG LYS A 18 11.647 -1.313 -1.964 1.00 0.00 C ATOM 245 CD LYS A 18 12.279 -0.959 -0.616 1.00 0.00 C ATOM 246 CE LYS A 18 13.631 -1.654 -0.445 1.00 0.00 C ATOM 247 NZ LYS A 18 13.657 -2.438 0.810 1.00 0.00 N ATOM 0 H LYS A 18 8.103 -1.882 -3.131 1.00 0.00 H new ATOM 0 HA LYS A 18 10.203 -3.261 -1.840 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.768 -0.747 -2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.855 -0.447 -1.133 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.903 -2.338 -2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.056 -0.669 -2.742 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.409 0.121 -0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.610 -1.254 0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.819 -2.311 -1.295 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.429 -0.912 -0.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.582 -2.903 0.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.499 -1.804 1.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.908 -3.159 0.784 1.00 0.00 H new ATOM 261 N LYS A 19 7.968 -1.924 0.169 1.00 0.00 N ATOM 262 CA LYS A 19 7.430 -1.991 1.517 1.00 0.00 C ATOM 263 C LYS A 19 7.357 -3.454 1.960 1.00 0.00 C ATOM 264 O LYS A 19 7.855 -3.808 3.028 1.00 0.00 O ATOM 265 CB LYS A 19 6.091 -1.257 1.597 1.00 0.00 C ATOM 266 CG LYS A 19 6.292 0.212 1.973 1.00 0.00 C ATOM 267 CD LYS A 19 6.482 0.370 3.483 1.00 0.00 C ATOM 268 CE LYS A 19 7.140 1.710 3.816 1.00 0.00 C ATOM 269 NZ LYS A 19 7.443 1.794 5.263 1.00 0.00 N ATOM 0 H LYS A 19 7.498 -1.259 -0.445 1.00 0.00 H new ATOM 0 HA LYS A 19 8.090 -1.478 2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.578 -1.323 0.638 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.451 -1.741 2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.162 0.609 1.450 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.431 0.795 1.648 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.516 0.301 3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.097 -0.446 3.863 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.058 1.824 3.239 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.479 2.528 3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.889 2.710 5.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.562 1.706 5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.091 1.025 5.527 1.00 0.00 H new ATOM 283 N TYR A 20 6.733 -4.264 1.118 1.00 0.00 N ATOM 284 CA TYR A 20 6.589 -5.680 1.409 1.00 0.00 C ATOM 285 C TYR A 20 7.898 -6.266 1.941 1.00 0.00 C ATOM 286 O TYR A 20 7.930 -6.834 3.032 1.00 0.00 O ATOM 287 CB TYR A 20 6.247 -6.352 0.078 1.00 0.00 C ATOM 288 CG TYR A 20 5.452 -7.651 0.223 1.00 0.00 C ATOM 289 CD1 TYR A 20 4.137 -7.612 0.642 1.00 0.00 C ATOM 290 CD2 TYR A 20 6.049 -8.861 -0.067 1.00 0.00 C ATOM 291 CE1 TYR A 20 3.389 -8.835 0.779 1.00 0.00 C ATOM 292 CE2 TYR A 20 5.300 -10.084 0.070 1.00 0.00 C ATOM 293 CZ TYR A 20 4.007 -10.010 0.486 1.00 0.00 C ATOM 294 OH TYR A 20 3.301 -11.165 0.614 1.00 0.00 O ATOM 0 H TYR A 20 6.321 -3.966 0.234 1.00 0.00 H new ATOM 0 HA TYR A 20 5.822 -5.840 2.167 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.675 -5.654 -0.533 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.172 -6.562 -0.459 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.670 -6.665 0.867 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.077 -8.891 -0.396 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.360 -8.819 1.107 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.755 -11.038 -0.153 1.00 0.00 H new ATOM 0 HH TYR A 20 3.870 -11.925 0.370 1.00 0.00 H new ATOM 304 N GLY A 21 8.946 -6.109 1.146 1.00 0.00 N ATOM 305 CA GLY A 21 10.254 -6.616 1.523 1.00 0.00 C ATOM 306 C GLY A 21 10.516 -6.403 3.015 1.00 0.00 C ATOM 307 O GLY A 21 11.135 -7.242 3.667 1.00 0.00 O ATOM 0 H GLY A 21 8.916 -5.638 0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.318 -7.678 1.287 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.025 -6.113 0.939 1.00 0.00 H new ATOM 311 N GLU A 22 10.030 -5.275 3.513 1.00 0.00 N ATOM 312 CA GLU A 22 10.203 -4.941 4.917 1.00 0.00 C ATOM 313 C GLU A 22 9.325 -5.841 5.789 1.00 0.00 C ATOM 314 O GLU A 22 9.821 -6.507 6.696 1.00 0.00 O ATOM 315 CB GLU A 22 9.897 -3.464 5.170 1.00 0.00 C ATOM 316 CG GLU A 22 10.739 -2.565 4.262 1.00 0.00 C ATOM 317 CD GLU A 22 10.446 -1.087 4.529 1.00 0.00 C ATOM 318 OE1 GLU A 22 10.583 -0.685 5.705 1.00 0.00 O ATOM 319 OE2 GLU A 22 10.093 -0.393 3.552 1.00 0.00 O ATOM 0 H GLU A 22 9.517 -4.581 2.970 1.00 0.00 H new ATOM 0 HA GLU A 22 11.245 -5.113 5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.838 -3.273 4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.097 -3.221 6.214 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.798 -2.765 4.427 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.529 -2.798 3.218 1.00 0.00 H new ATOM 326 N ALA A 23 8.036 -5.831 5.483 1.00 0.00 N ATOM 327 CA ALA A 23 7.084 -6.638 6.228 1.00 0.00 C ATOM 328 C ALA A 23 7.633 -8.059 6.377 1.00 0.00 C ATOM 329 O ALA A 23 7.273 -8.772 7.312 1.00 0.00 O ATOM 330 CB ALA A 23 5.727 -6.609 5.522 1.00 0.00 C ATOM 0 H ALA A 23 7.628 -5.277 4.730 1.00 0.00 H new ATOM 0 HA ALA A 23 6.939 -6.233 7.230 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.013 -7.214 6.081 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.367 -5.582 5.467 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.833 -7.011 4.514 1.00 0.00 H new ATOM 336 N LEU A 24 8.496 -8.427 5.441 1.00 0.00 N ATOM 337 CA LEU A 24 9.098 -9.749 5.457 1.00 0.00 C ATOM 338 C LEU A 24 10.515 -9.653 6.026 1.00 0.00 C ATOM 339 O LEU A 24 11.014 -10.605 6.622 1.00 0.00 O ATOM 340 CB LEU A 24 9.036 -10.383 4.066 1.00 0.00 C ATOM 341 CG LEU A 24 7.638 -10.543 3.464 1.00 0.00 C ATOM 342 CD1 LEU A 24 7.719 -10.945 1.990 1.00 0.00 C ATOM 343 CD2 LEU A 24 6.799 -11.528 4.281 1.00 0.00 C ATOM 0 H LEU A 24 8.792 -7.833 4.667 1.00 0.00 H new ATOM 0 HA LEU A 24 8.536 -10.415 6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.636 -9.779 3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.504 -11.366 4.115 1.00 0.00 H new ATOM 0 HG LEU A 24 7.134 -9.577 3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.712 -11.052 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.254 -10.176 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.249 -11.893 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.810 -11.624 3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.289 -12.502 4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.700 -11.161 5.303 1.00 0.00 H new ATOM 355 N GLY A 25 11.123 -8.493 5.821 1.00 0.00 N ATOM 356 CA GLY A 25 12.473 -8.261 6.306 1.00 0.00 C ATOM 357 C GLY A 25 13.487 -8.333 5.162 1.00 0.00 C ATOM 358 O GLY A 25 14.605 -7.837 5.287 1.00 0.00 O ATOM 0 H GLY A 25 10.706 -7.705 5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.528 -7.283 6.785 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.723 -9.002 7.065 1.00 0.00 H new ATOM 362 N ILE A 26 13.059 -8.956 4.074 1.00 0.00 N ATOM 363 CA ILE A 26 13.916 -9.100 2.909 1.00 0.00 C ATOM 364 C ILE A 26 14.615 -7.769 2.628 1.00 0.00 C ATOM 365 O ILE A 26 14.224 -6.732 3.163 1.00 0.00 O ATOM 366 CB ILE A 26 13.117 -9.637 1.720 1.00 0.00 C ATOM 367 CG1 ILE A 26 13.012 -11.163 1.775 1.00 0.00 C ATOM 368 CG2 ILE A 26 13.710 -9.151 0.396 1.00 0.00 C ATOM 369 CD1 ILE A 26 11.768 -11.654 1.033 1.00 0.00 C ATOM 0 H ILE A 26 12.131 -9.367 3.974 1.00 0.00 H new ATOM 0 HA ILE A 26 14.696 -9.837 3.099 1.00 0.00 H new ATOM 0 HB ILE A 26 12.103 -9.241 1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 26 13.903 -11.609 1.333 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.973 -11.491 2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 26 13.123 -9.547 -0.433 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.690 -8.062 0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 26 14.740 -9.498 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 26 11.717 -12.741 1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.877 -11.226 1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 26 11.821 -11.345 -0.011 1.00 0.00 H new ATOM 381 N LYS A 27 15.639 -7.840 1.789 1.00 0.00 N ATOM 382 CA LYS A 27 16.397 -6.653 1.431 1.00 0.00 C ATOM 383 C LYS A 27 16.066 -6.258 -0.010 1.00 0.00 C ATOM 384 O LYS A 27 16.039 -5.074 -0.342 1.00 0.00 O ATOM 385 CB LYS A 27 17.890 -6.875 1.680 1.00 0.00 C ATOM 386 CG LYS A 27 18.170 -7.092 3.169 1.00 0.00 C ATOM 387 CD LYS A 27 19.377 -6.269 3.624 1.00 0.00 C ATOM 388 CE LYS A 27 19.048 -5.463 4.883 1.00 0.00 C ATOM 389 NZ LYS A 27 18.907 -4.027 4.556 1.00 0.00 N ATOM 0 H LYS A 27 15.961 -8.701 1.347 1.00 0.00 H new ATOM 0 HA LYS A 27 16.113 -5.814 2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.233 -7.740 1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 27 18.454 -6.014 1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.293 -6.812 3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 27 18.354 -8.150 3.358 1.00 0.00 H new ATOM 0 HD2 LYS A 27 20.220 -6.931 3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 27 19.683 -5.594 2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.124 -5.833 5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 27 19.836 -5.598 5.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.684 -3.494 5.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.798 -3.674 4.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.140 -3.902 3.865 1.00 0.00 H new ATOM 403 N TYR A 28 15.822 -7.272 -0.827 1.00 0.00 N ATOM 404 CA TYR A 28 15.495 -7.045 -2.224 1.00 0.00 C ATOM 405 C TYR A 28 14.001 -6.761 -2.398 1.00 0.00 C ATOM 406 O TYR A 28 13.205 -7.039 -1.503 1.00 0.00 O ATOM 407 CB TYR A 28 15.843 -8.343 -2.955 1.00 0.00 C ATOM 408 CG TYR A 28 15.338 -9.606 -2.255 1.00 0.00 C ATOM 409 CD1 TYR A 28 14.040 -10.033 -2.454 1.00 0.00 C ATOM 410 CD2 TYR A 28 16.179 -10.319 -1.426 1.00 0.00 C ATOM 411 CE1 TYR A 28 13.564 -11.222 -1.795 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.703 -11.508 -0.767 1.00 0.00 C ATOM 413 CZ TYR A 28 14.419 -11.901 -0.984 1.00 0.00 C ATOM 414 OH TYR A 28 13.970 -13.024 -0.362 1.00 0.00 O ATOM 0 H TYR A 28 15.844 -8.253 -0.548 1.00 0.00 H new ATOM 0 HA TYR A 28 16.043 -6.187 -2.612 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.424 -8.305 -3.961 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.926 -8.408 -3.063 1.00 0.00 H new ATOM 0 HD1 TYR A 28 13.382 -9.475 -3.104 1.00 0.00 H new ATOM 0 HD2 TYR A 28 17.195 -9.986 -1.271 1.00 0.00 H new ATOM 0 HE1 TYR A 28 12.551 -11.567 -1.942 1.00 0.00 H new ATOM 0 HE2 TYR A 28 16.351 -12.075 -0.115 1.00 0.00 H new ATOM 0 HH TYR A 28 14.689 -13.405 0.184 1.00 0.00 H new ATOM 424 N PRO A 29 13.658 -6.196 -3.586 1.00 0.00 N ATOM 425 CA PRO A 29 12.275 -5.871 -3.889 1.00 0.00 C ATOM 426 C PRO A 29 11.475 -7.133 -4.219 1.00 0.00 C ATOM 427 O PRO A 29 11.708 -7.769 -5.246 1.00 0.00 O ATOM 428 CB PRO A 29 12.346 -4.892 -5.050 1.00 0.00 C ATOM 429 CG PRO A 29 13.729 -5.062 -5.655 1.00 0.00 C ATOM 430 CD PRO A 29 14.575 -5.852 -4.669 1.00 0.00 C ATOM 0 HA PRO A 29 11.752 -5.427 -3.042 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.570 -5.102 -5.786 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.193 -3.869 -4.708 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.667 -5.585 -6.609 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.181 -4.090 -5.853 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.993 -6.745 -5.133 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.414 -5.260 -4.304 1.00 0.00 H new ATOM 438 N VAL A 30 10.549 -7.457 -3.329 1.00 0.00 N ATOM 439 CA VAL A 30 9.713 -8.632 -3.512 1.00 0.00 C ATOM 440 C VAL A 30 8.377 -8.211 -4.128 1.00 0.00 C ATOM 441 O VAL A 30 8.019 -7.034 -4.097 1.00 0.00 O ATOM 442 CB VAL A 30 9.552 -9.372 -2.183 1.00 0.00 C ATOM 443 CG1 VAL A 30 8.931 -10.754 -2.397 1.00 0.00 C ATOM 444 CG2 VAL A 30 10.890 -9.480 -1.450 1.00 0.00 C ATOM 0 H VAL A 30 10.359 -6.927 -2.479 1.00 0.00 H new ATOM 0 HA VAL A 30 10.183 -9.332 -4.203 1.00 0.00 H new ATOM 0 HB VAL A 30 8.873 -8.793 -1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.827 -11.259 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.949 -10.644 -2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.574 -11.344 -3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.747 -10.010 -0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.601 -10.026 -2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.276 -8.481 -1.249 1.00 0.00 H new ATOM 454 N GLN A 31 7.677 -9.195 -4.672 1.00 0.00 N ATOM 455 CA GLN A 31 6.388 -8.941 -5.294 1.00 0.00 C ATOM 456 C GLN A 31 5.265 -9.081 -4.264 1.00 0.00 C ATOM 457 O GLN A 31 5.437 -9.737 -3.238 1.00 0.00 O ATOM 458 CB GLN A 31 6.160 -9.875 -6.484 1.00 0.00 C ATOM 459 CG GLN A 31 5.710 -11.260 -6.016 1.00 0.00 C ATOM 460 CD GLN A 31 4.275 -11.550 -6.460 1.00 0.00 C ATOM 461 OE1 GLN A 31 3.926 -11.447 -7.625 1.00 0.00 O ATOM 462 NE2 GLN A 31 3.466 -11.916 -5.471 1.00 0.00 N ATOM 0 H GLN A 31 7.977 -10.169 -4.695 1.00 0.00 H new ATOM 0 HA GLN A 31 6.383 -7.918 -5.671 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.407 -9.449 -7.146 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.080 -9.964 -7.063 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.380 -12.019 -6.420 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.777 -11.320 -4.930 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.823 -11.982 -4.518 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.488 -12.131 -5.665 1.00 0.00 H new ATOM 471 N VAL A 32 4.140 -8.453 -4.574 1.00 0.00 N ATOM 472 CA VAL A 32 2.989 -8.500 -3.688 1.00 0.00 C ATOM 473 C VAL A 32 1.894 -9.356 -4.327 1.00 0.00 C ATOM 474 O VAL A 32 1.447 -9.072 -5.437 1.00 0.00 O ATOM 475 CB VAL A 32 2.523 -7.079 -3.361 1.00 0.00 C ATOM 476 CG1 VAL A 32 1.176 -7.098 -2.636 1.00 0.00 C ATOM 477 CG2 VAL A 32 3.577 -6.332 -2.541 1.00 0.00 C ATOM 0 H VAL A 32 4.001 -7.909 -5.426 1.00 0.00 H new ATOM 0 HA VAL A 32 3.255 -8.967 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 32 2.390 -6.544 -4.302 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.867 -6.076 -2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.428 -7.574 -3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.272 -7.657 -1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.221 -5.325 -2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.756 -6.865 -1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.505 -6.273 -3.109 1.00 0.00 H new ATOM 487 N PRO A 33 1.482 -10.414 -3.579 1.00 0.00 N ATOM 488 CA PRO A 33 0.447 -11.313 -4.060 1.00 0.00 C ATOM 489 C PRO A 33 -0.934 -10.662 -3.963 1.00 0.00 C ATOM 490 O PRO A 33 -1.672 -10.903 -3.009 1.00 0.00 O ATOM 491 CB PRO A 33 0.578 -12.560 -3.201 1.00 0.00 C ATOM 492 CG PRO A 33 1.366 -12.137 -1.971 1.00 0.00 C ATOM 493 CD PRO A 33 1.988 -10.781 -2.259 1.00 0.00 C ATOM 0 HA PRO A 33 0.562 -11.559 -5.116 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.402 -12.948 -2.923 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.093 -13.354 -3.741 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.713 -12.080 -1.100 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.139 -12.871 -1.742 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.702 -10.046 -1.507 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.077 -10.835 -2.253 1.00 0.00 H new ATOM 501 N TYR A 34 -1.242 -9.850 -4.963 1.00 0.00 N ATOM 502 CA TYR A 34 -2.522 -9.162 -5.002 1.00 0.00 C ATOM 503 C TYR A 34 -3.680 -10.161 -5.024 1.00 0.00 C ATOM 504 O TYR A 34 -4.641 -10.020 -4.268 1.00 0.00 O ATOM 505 CB TYR A 34 -2.530 -8.361 -6.305 1.00 0.00 C ATOM 506 CG TYR A 34 -1.476 -7.253 -6.361 1.00 0.00 C ATOM 507 CD1 TYR A 34 -1.452 -6.274 -5.389 1.00 0.00 C ATOM 508 CD2 TYR A 34 -0.551 -7.232 -7.385 1.00 0.00 C ATOM 509 CE1 TYR A 34 -0.460 -5.232 -5.441 1.00 0.00 C ATOM 510 CE2 TYR A 34 0.441 -6.189 -7.438 1.00 0.00 C ATOM 511 CZ TYR A 34 0.437 -5.241 -6.463 1.00 0.00 C ATOM 512 OH TYR A 34 1.374 -4.256 -6.513 1.00 0.00 O ATOM 0 H TYR A 34 -0.628 -9.653 -5.753 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.646 -8.530 -4.122 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.370 -9.043 -7.140 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.516 -7.917 -6.441 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.177 -6.289 -4.589 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.571 -7.998 -8.147 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.429 -4.461 -4.686 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.171 -6.161 -8.233 1.00 0.00 H new ATOM 0 HH TYR A 34 1.948 -4.390 -7.296 1.00 0.00 H new ATOM 522 N LYS A 35 -3.552 -11.148 -5.899 1.00 0.00 N ATOM 523 CA LYS A 35 -4.577 -12.170 -6.029 1.00 0.00 C ATOM 524 C LYS A 35 -4.915 -12.727 -4.645 1.00 0.00 C ATOM 525 O LYS A 35 -6.033 -12.558 -4.160 1.00 0.00 O ATOM 526 CB LYS A 35 -4.142 -13.240 -7.033 1.00 0.00 C ATOM 527 CG LYS A 35 -5.330 -13.727 -7.864 1.00 0.00 C ATOM 528 CD LYS A 35 -4.905 -14.029 -9.303 1.00 0.00 C ATOM 529 CE LYS A 35 -5.987 -14.824 -10.038 1.00 0.00 C ATOM 530 NZ LYS A 35 -7.097 -13.934 -10.445 1.00 0.00 N ATOM 0 H LYS A 35 -2.754 -11.262 -6.525 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.494 -11.740 -6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.374 -12.835 -7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.695 -14.081 -6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.753 -14.623 -7.410 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.114 -12.969 -7.864 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.711 -13.096 -9.832 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.973 -14.593 -9.300 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.559 -15.306 -10.917 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.366 -15.616 -9.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.822 -14.489 -10.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.516 -13.494 -9.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.734 -13.193 -11.078 1.00 0.00 H new ATOM 544 N ARG A 36 -3.929 -13.379 -4.047 1.00 0.00 N ATOM 545 CA ARG A 36 -4.107 -13.962 -2.728 1.00 0.00 C ATOM 546 C ARG A 36 -4.616 -12.905 -1.746 1.00 0.00 C ATOM 547 O ARG A 36 -5.323 -13.227 -0.793 1.00 0.00 O ATOM 548 CB ARG A 36 -2.796 -14.548 -2.203 1.00 0.00 C ATOM 549 CG ARG A 36 -2.063 -15.323 -3.300 1.00 0.00 C ATOM 550 CD ARG A 36 -1.411 -16.587 -2.736 1.00 0.00 C ATOM 551 NE ARG A 36 -0.505 -17.182 -3.744 1.00 0.00 N ATOM 552 CZ ARG A 36 -0.911 -17.980 -4.740 1.00 0.00 C ATOM 553 NH1 ARG A 36 -2.210 -18.284 -4.869 1.00 0.00 N ATOM 554 NH2 ARG A 36 -0.018 -18.475 -5.609 1.00 0.00 N ATOM 0 H ARG A 36 -3.003 -13.517 -4.452 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.840 -14.764 -2.816 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.158 -13.746 -1.831 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.001 -15.209 -1.361 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.764 -15.593 -4.090 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.302 -14.688 -3.752 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.853 -16.346 -1.831 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.179 -17.308 -2.455 1.00 0.00 H new ATOM 0 HE ARG A 36 0.491 -16.971 -3.676 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.890 -17.908 -4.208 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.519 -18.892 -5.628 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.971 -18.244 -5.512 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.327 -19.083 -6.368 1.00 0.00 H new ATOM 568 N ILE A 37 -4.235 -11.664 -2.011 1.00 0.00 N ATOM 569 CA ILE A 37 -4.643 -10.558 -1.163 1.00 0.00 C ATOM 570 C ILE A 37 -6.103 -10.208 -1.455 1.00 0.00 C ATOM 571 O ILE A 37 -6.778 -9.600 -0.625 1.00 0.00 O ATOM 572 CB ILE A 37 -3.683 -9.377 -1.323 1.00 0.00 C ATOM 573 CG1 ILE A 37 -2.417 -9.582 -0.490 1.00 0.00 C ATOM 574 CG2 ILE A 37 -4.380 -8.055 -0.992 1.00 0.00 C ATOM 575 CD1 ILE A 37 -1.331 -8.579 -0.886 1.00 0.00 C ATOM 0 H ILE A 37 -3.647 -11.400 -2.802 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.588 -10.843 -0.112 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.375 -9.326 -2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.652 -9.470 0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.047 -10.598 -0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.676 -7.232 -1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.226 -7.911 -1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.736 -8.079 0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.442 -8.747 -0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.081 -8.710 -1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.696 -7.565 -0.723 1.00 0.00 H new ATOM 587 N LYS A 38 -6.548 -10.606 -2.638 1.00 0.00 N ATOM 588 CA LYS A 38 -7.916 -10.342 -3.050 1.00 0.00 C ATOM 589 C LYS A 38 -8.830 -11.441 -2.503 1.00 0.00 C ATOM 590 O LYS A 38 -9.798 -11.154 -1.799 1.00 0.00 O ATOM 591 CB LYS A 38 -7.996 -10.177 -4.569 1.00 0.00 C ATOM 592 CG LYS A 38 -8.855 -8.968 -4.945 1.00 0.00 C ATOM 593 CD LYS A 38 -8.086 -8.011 -5.857 1.00 0.00 C ATOM 594 CE LYS A 38 -6.974 -7.295 -5.088 1.00 0.00 C ATOM 595 NZ LYS A 38 -7.417 -5.946 -4.671 1.00 0.00 N ATOM 0 H LYS A 38 -5.985 -11.109 -3.324 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.264 -9.398 -2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.993 -10.056 -4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.416 -11.079 -5.015 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.762 -9.304 -5.447 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.166 -8.444 -4.042 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.657 -8.565 -6.692 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.771 -7.277 -6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.696 -7.880 -4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.085 -7.215 -5.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.650 -5.474 -4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.661 -5.385 -5.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.252 -6.029 -4.057 1.00 0.00 H new ATOM 609 N SER A 39 -8.491 -12.674 -2.846 1.00 0.00 N ATOM 610 CA SER A 39 -9.269 -13.817 -2.398 1.00 0.00 C ATOM 611 C SER A 39 -9.313 -13.853 -0.869 1.00 0.00 C ATOM 612 O SER A 39 -10.351 -14.152 -0.281 1.00 0.00 O ATOM 613 CB SER A 39 -8.691 -15.124 -2.943 1.00 0.00 C ATOM 614 OG SER A 39 -8.724 -15.170 -4.367 1.00 0.00 O ATOM 0 H SER A 39 -7.688 -12.907 -3.429 1.00 0.00 H new ATOM 0 HA SER A 39 -10.284 -13.712 -2.782 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.662 -15.236 -2.600 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.255 -15.965 -2.540 1.00 0.00 H new ATOM 0 HG SER A 39 -8.345 -16.019 -4.676 1.00 0.00 H new ATOM 620 N ASN A 40 -8.173 -13.544 -0.269 1.00 0.00 N ATOM 621 CA ASN A 40 -8.068 -13.537 1.180 1.00 0.00 C ATOM 622 C ASN A 40 -7.671 -12.136 1.652 1.00 0.00 C ATOM 623 O ASN A 40 -6.565 -11.675 1.377 1.00 0.00 O ATOM 624 CB ASN A 40 -6.996 -14.518 1.660 1.00 0.00 C ATOM 625 CG ASN A 40 -7.562 -15.480 2.706 1.00 0.00 C ATOM 626 OD1 ASN A 40 -8.270 -15.095 3.623 1.00 0.00 O ATOM 627 ND2 ASN A 40 -7.212 -16.749 2.520 1.00 0.00 N ATOM 0 H ASN A 40 -7.314 -13.297 -0.760 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.035 -13.830 1.589 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.610 -15.083 0.812 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.157 -13.966 2.084 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -7.539 -17.468 3.165 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -6.617 -17.004 1.732 1.00 0.00 H new ATOM 634 N PRO A 41 -8.621 -11.482 2.373 1.00 0.00 N ATOM 635 CA PRO A 41 -8.382 -10.144 2.886 1.00 0.00 C ATOM 636 C PRO A 41 -7.441 -10.178 4.092 1.00 0.00 C ATOM 637 O PRO A 41 -6.855 -9.160 4.456 1.00 0.00 O ATOM 638 CB PRO A 41 -9.761 -9.600 3.223 1.00 0.00 C ATOM 639 CG PRO A 41 -10.673 -10.811 3.326 1.00 0.00 C ATOM 640 CD PRO A 41 -9.943 -11.998 2.718 1.00 0.00 C ATOM 0 HA PRO A 41 -7.880 -9.500 2.164 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.743 -9.044 4.160 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.109 -8.913 2.451 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.926 -11.011 4.367 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.610 -10.629 2.800 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.873 -12.825 3.425 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.464 -12.375 1.837 1.00 0.00 H new ATOM 648 N GLY A 42 -7.326 -11.361 4.678 1.00 0.00 N ATOM 649 CA GLY A 42 -6.467 -11.542 5.836 1.00 0.00 C ATOM 650 C GLY A 42 -5.054 -11.950 5.411 1.00 0.00 C ATOM 651 O GLY A 42 -4.423 -12.781 6.062 1.00 0.00 O ATOM 0 H GLY A 42 -7.813 -12.203 4.373 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.425 -10.617 6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.889 -12.305 6.491 1.00 0.00 H new ATOM 655 N SER A 43 -4.600 -11.346 4.323 1.00 0.00 N ATOM 656 CA SER A 43 -3.274 -11.636 3.804 1.00 0.00 C ATOM 657 C SER A 43 -2.277 -10.586 4.299 1.00 0.00 C ATOM 658 O SER A 43 -1.490 -10.851 5.206 1.00 0.00 O ATOM 659 CB SER A 43 -3.280 -11.685 2.275 1.00 0.00 C ATOM 660 OG SER A 43 -3.041 -13.000 1.782 1.00 0.00 O ATOM 0 H SER A 43 -5.127 -10.657 3.786 1.00 0.00 H new ATOM 0 HA SER A 43 -2.970 -12.617 4.170 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.241 -11.328 1.905 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.518 -11.009 1.888 1.00 0.00 H new ATOM 0 HG SER A 43 -3.054 -12.989 0.802 1.00 0.00 H new ATOM 666 N VAL A 44 -2.344 -9.417 3.680 1.00 0.00 N ATOM 667 CA VAL A 44 -1.456 -8.325 4.046 1.00 0.00 C ATOM 668 C VAL A 44 -2.291 -7.115 4.469 1.00 0.00 C ATOM 669 O VAL A 44 -3.097 -6.609 3.689 1.00 0.00 O ATOM 670 CB VAL A 44 -0.500 -8.019 2.892 1.00 0.00 C ATOM 671 CG1 VAL A 44 0.096 -6.617 3.032 1.00 0.00 C ATOM 672 CG2 VAL A 44 0.602 -9.076 2.797 1.00 0.00 C ATOM 0 H VAL A 44 -2.998 -9.201 2.928 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.836 -8.605 4.897 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.073 -8.049 1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.772 -6.424 2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.706 -5.879 3.027 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.647 -6.548 3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.268 -8.834 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.171 -9.093 3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.154 -10.055 2.628 1.00 0.00 H new ATOM 682 N ILE A 45 -2.070 -6.685 5.702 1.00 0.00 N ATOM 683 CA ILE A 45 -2.792 -5.543 6.237 1.00 0.00 C ATOM 684 C ILE A 45 -2.018 -4.262 5.920 1.00 0.00 C ATOM 685 O ILE A 45 -0.834 -4.154 6.235 1.00 0.00 O ATOM 686 CB ILE A 45 -3.074 -5.738 7.728 1.00 0.00 C ATOM 687 CG1 ILE A 45 -3.159 -7.225 8.080 1.00 0.00 C ATOM 688 CG2 ILE A 45 -4.330 -4.976 8.154 1.00 0.00 C ATOM 689 CD1 ILE A 45 -3.970 -7.991 7.033 1.00 0.00 C ATOM 0 H ILE A 45 -1.401 -7.107 6.346 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.768 -5.452 5.761 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.239 -5.321 8.290 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.155 -7.645 8.146 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.620 -7.344 9.061 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.507 -5.132 9.218 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.193 -3.912 7.961 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.186 -5.340 7.587 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.015 -9.045 7.307 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.980 -7.585 6.987 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.493 -7.890 6.058 1.00 0.00 H new ATOM 701 N ILE A 46 -2.719 -3.323 5.302 1.00 0.00 N ATOM 702 CA ILE A 46 -2.113 -2.053 4.939 1.00 0.00 C ATOM 703 C ILE A 46 -2.738 -0.936 5.777 1.00 0.00 C ATOM 704 O ILE A 46 -3.950 -0.731 5.739 1.00 0.00 O ATOM 705 CB ILE A 46 -2.217 -1.822 3.430 1.00 0.00 C ATOM 706 CG1 ILE A 46 -1.208 -2.687 2.672 1.00 0.00 C ATOM 707 CG2 ILE A 46 -2.067 -0.337 3.092 1.00 0.00 C ATOM 708 CD1 ILE A 46 -1.265 -2.406 1.169 1.00 0.00 C ATOM 0 H ILE A 46 -3.701 -3.416 5.043 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.047 -2.062 5.164 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.211 -2.128 3.105 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.203 -2.490 3.045 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.416 -3.741 2.857 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.145 -0.200 2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.855 0.230 3.588 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.095 0.018 3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.538 -3.034 0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.265 -2.627 0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.033 -1.357 0.986 1.00 0.00 H new ATOM 720 N GLU A 47 -1.882 -0.244 6.514 1.00 0.00 N ATOM 721 CA GLU A 47 -2.336 0.847 7.360 1.00 0.00 C ATOM 722 C GLU A 47 -1.398 2.049 7.226 1.00 0.00 C ATOM 723 O GLU A 47 -0.285 1.918 6.719 1.00 0.00 O ATOM 724 CB GLU A 47 -2.447 0.400 8.819 1.00 0.00 C ATOM 725 CG GLU A 47 -3.840 -0.158 9.117 1.00 0.00 C ATOM 726 CD GLU A 47 -4.874 0.967 9.203 1.00 0.00 C ATOM 727 OE1 GLU A 47 -4.736 1.794 10.130 1.00 0.00 O ATOM 728 OE2 GLU A 47 -5.779 0.973 8.341 1.00 0.00 O ATOM 0 H GLU A 47 -0.877 -0.417 6.543 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.330 1.147 7.029 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.694 -0.360 9.028 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.240 1.243 9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.128 -0.863 8.337 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.821 -0.712 10.056 1.00 0.00 H new ATOM 735 N GLY A 48 -1.883 3.192 7.688 1.00 0.00 N ATOM 736 CA GLY A 48 -1.102 4.415 7.625 1.00 0.00 C ATOM 737 C GLY A 48 -1.413 5.200 6.349 1.00 0.00 C ATOM 738 O GLY A 48 -0.997 6.348 6.205 1.00 0.00 O ATOM 0 H GLY A 48 -2.807 3.297 8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.316 5.033 8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.039 4.174 7.658 1.00 0.00 H new ATOM 742 N LEU A 49 -2.142 4.548 5.455 1.00 0.00 N ATOM 743 CA LEU A 49 -2.513 5.170 4.195 1.00 0.00 C ATOM 744 C LEU A 49 -3.102 6.555 4.469 1.00 0.00 C ATOM 745 O LEU A 49 -3.465 6.866 5.603 1.00 0.00 O ATOM 746 CB LEU A 49 -3.444 4.253 3.399 1.00 0.00 C ATOM 747 CG LEU A 49 -2.763 3.280 2.434 1.00 0.00 C ATOM 748 CD1 LEU A 49 -3.761 2.254 1.894 1.00 0.00 C ATOM 749 CD2 LEU A 49 -2.050 4.033 1.309 1.00 0.00 C ATOM 0 H LEU A 49 -2.486 3.596 5.578 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.633 5.315 3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.042 3.676 4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.134 4.875 2.829 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.002 2.729 2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.251 1.575 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.183 1.686 2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.561 2.769 1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.574 3.318 0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.775 4.627 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.292 4.691 1.735 1.00 0.00 H new ATOM 761 N PRO A 50 -3.180 7.372 3.385 1.00 0.00 N ATOM 762 CA PRO A 50 -3.718 8.716 3.497 1.00 0.00 C ATOM 763 C PRO A 50 -5.243 8.688 3.629 1.00 0.00 C ATOM 764 O PRO A 50 -5.867 7.646 3.433 1.00 0.00 O ATOM 765 CB PRO A 50 -3.244 9.437 2.246 1.00 0.00 C ATOM 766 CG PRO A 50 -2.853 8.347 1.261 1.00 0.00 C ATOM 767 CD PRO A 50 -2.760 7.037 2.027 1.00 0.00 C ATOM 0 HA PRO A 50 -3.373 9.233 4.393 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.032 10.069 1.837 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.397 10.087 2.467 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.592 8.271 0.463 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.898 8.582 0.790 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.405 6.275 1.589 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.745 6.641 2.013 1.00 0.00 H new ATOM 775 N PRO A 51 -5.813 9.875 3.968 1.00 0.00 N ATOM 776 CA PRO A 51 -7.252 9.996 4.128 1.00 0.00 C ATOM 777 C PRO A 51 -7.955 10.007 2.770 1.00 0.00 C ATOM 778 O PRO A 51 -7.651 10.839 1.916 1.00 0.00 O ATOM 779 CB PRO A 51 -7.454 11.282 4.913 1.00 0.00 C ATOM 780 CG PRO A 51 -6.163 12.070 4.761 1.00 0.00 C ATOM 781 CD PRO A 51 -5.105 11.129 4.209 1.00 0.00 C ATOM 0 HA PRO A 51 -7.689 9.150 4.658 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.303 11.846 4.527 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.662 11.071 5.962 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.309 12.916 4.090 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.848 12.476 5.722 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.668 11.520 3.290 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.288 10.993 4.918 1.00 0.00 H new ATOM 789 N GLY A 52 -8.883 9.074 2.611 1.00 0.00 N ATOM 790 CA GLY A 52 -9.632 8.967 1.371 1.00 0.00 C ATOM 791 C GLY A 52 -9.076 7.846 0.490 1.00 0.00 C ATOM 792 O GLY A 52 -9.659 7.514 -0.541 1.00 0.00 O ATOM 0 H GLY A 52 -9.133 8.385 3.321 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.682 8.774 1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.588 9.914 0.832 1.00 0.00 H new ATOM 796 N ILE A 53 -7.954 7.293 0.928 1.00 0.00 N ATOM 797 CA ILE A 53 -7.313 6.217 0.193 1.00 0.00 C ATOM 798 C ILE A 53 -7.238 4.973 1.080 1.00 0.00 C ATOM 799 O ILE A 53 -6.370 4.874 1.945 1.00 0.00 O ATOM 800 CB ILE A 53 -5.955 6.671 -0.346 1.00 0.00 C ATOM 801 CG1 ILE A 53 -6.059 8.047 -1.006 1.00 0.00 C ATOM 802 CG2 ILE A 53 -5.363 5.624 -1.292 1.00 0.00 C ATOM 803 CD1 ILE A 53 -4.699 8.504 -1.539 1.00 0.00 C ATOM 0 H ILE A 53 -7.473 7.571 1.783 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.904 5.949 -0.683 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.269 6.769 0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.780 8.009 -1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.433 8.773 -0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.398 5.971 -1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.230 4.684 -0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.039 5.470 -2.133 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.801 9.485 -2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.987 8.564 -0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.339 7.788 -2.278 1.00 0.00 H new ATOM 815 N PRO A 54 -8.185 4.029 0.828 1.00 0.00 N ATOM 816 CA PRO A 54 -8.234 2.795 1.593 1.00 0.00 C ATOM 817 C PRO A 54 -7.119 1.840 1.166 1.00 0.00 C ATOM 818 O PRO A 54 -6.346 2.148 0.259 1.00 0.00 O ATOM 819 CB PRO A 54 -9.625 2.234 1.345 1.00 0.00 C ATOM 820 CG PRO A 54 -10.135 2.924 0.090 1.00 0.00 C ATOM 821 CD PRO A 54 -9.229 4.112 -0.189 1.00 0.00 C ATOM 0 HA PRO A 54 -8.067 2.954 2.658 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.592 1.153 1.210 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.282 2.430 2.193 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.130 2.234 -0.754 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.165 3.253 0.227 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.808 4.062 -1.193 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.776 5.052 -0.119 1.00 0.00 H new ATOM 829 N PHE A 55 -7.070 0.699 1.838 1.00 0.00 N ATOM 830 CA PHE A 55 -6.062 -0.303 1.540 1.00 0.00 C ATOM 831 C PHE A 55 -6.481 -1.165 0.347 1.00 0.00 C ATOM 832 O PHE A 55 -7.152 -2.182 0.516 1.00 0.00 O ATOM 833 CB PHE A 55 -5.936 -1.194 2.777 1.00 0.00 C ATOM 834 CG PHE A 55 -5.499 -2.628 2.470 1.00 0.00 C ATOM 835 CD1 PHE A 55 -4.659 -2.875 1.430 1.00 0.00 C ATOM 836 CD2 PHE A 55 -5.952 -3.656 3.237 1.00 0.00 C ATOM 837 CE1 PHE A 55 -4.254 -4.206 1.145 1.00 0.00 C ATOM 838 CE2 PHE A 55 -5.547 -4.986 2.953 1.00 0.00 C ATOM 839 CZ PHE A 55 -4.707 -5.233 1.912 1.00 0.00 C ATOM 0 H PHE A 55 -7.713 0.447 2.588 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.119 0.183 1.290 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.218 -0.745 3.463 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.896 -1.220 3.292 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.300 -2.059 0.821 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.620 -3.460 4.062 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.586 -4.402 0.319 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.906 -5.802 3.563 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.400 -6.245 1.695 1.00 0.00 H new ATOM 849 N ARG A 56 -6.069 -0.726 -0.833 1.00 0.00 N ATOM 850 CA ARG A 56 -6.394 -1.444 -2.054 1.00 0.00 C ATOM 851 C ARG A 56 -5.304 -1.224 -3.105 1.00 0.00 C ATOM 852 O ARG A 56 -4.319 -0.533 -2.848 1.00 0.00 O ATOM 853 CB ARG A 56 -7.739 -0.985 -2.621 1.00 0.00 C ATOM 854 CG ARG A 56 -8.886 -1.355 -1.679 1.00 0.00 C ATOM 855 CD ARG A 56 -9.206 -0.202 -0.725 1.00 0.00 C ATOM 856 NE ARG A 56 -10.670 -0.005 -0.643 1.00 0.00 N ATOM 857 CZ ARG A 56 -11.428 0.432 -1.657 1.00 0.00 C ATOM 858 NH1 ARG A 56 -10.865 0.720 -2.838 1.00 0.00 N ATOM 859 NH2 ARG A 56 -12.749 0.580 -1.491 1.00 0.00 N ATOM 0 H ARG A 56 -5.513 0.118 -0.970 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.458 -2.504 -1.808 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.724 0.094 -2.775 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.902 -1.444 -3.596 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.773 -1.607 -2.261 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.618 -2.243 -1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.803 -0.416 0.265 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.727 0.713 -1.073 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.131 -0.215 0.242 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.859 0.606 -2.965 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.442 1.053 -3.610 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.178 0.360 -0.592 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.326 0.913 -2.263 1.00 0.00 H new ATOM 873 N LYS A 57 -5.516 -1.825 -4.267 1.00 0.00 N ATOM 874 CA LYS A 57 -4.564 -1.704 -5.357 1.00 0.00 C ATOM 875 C LYS A 57 -4.246 -0.226 -5.589 1.00 0.00 C ATOM 876 O LYS A 57 -5.137 0.620 -5.537 1.00 0.00 O ATOM 877 CB LYS A 57 -5.082 -2.424 -6.604 1.00 0.00 C ATOM 878 CG LYS A 57 -4.666 -3.897 -6.599 1.00 0.00 C ATOM 879 CD LYS A 57 -4.613 -4.456 -8.022 1.00 0.00 C ATOM 880 CE LYS A 57 -4.402 -5.971 -8.008 1.00 0.00 C ATOM 881 NZ LYS A 57 -4.867 -6.571 -9.279 1.00 0.00 N ATOM 0 H LYS A 57 -6.334 -2.397 -4.477 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.626 -2.196 -5.099 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.169 -2.349 -6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.694 -1.936 -7.498 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.689 -4.001 -6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.371 -4.476 -6.003 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.540 -4.219 -8.544 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.804 -3.978 -8.575 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.346 -6.196 -7.858 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.944 -6.412 -7.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.717 -7.600 -9.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.880 -6.372 -9.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.332 -6.163 -10.072 1.00 0.00 H new ATOM 895 N PRO A 58 -2.939 0.048 -5.846 1.00 0.00 N ATOM 896 CA PRO A 58 -2.492 1.409 -6.086 1.00 0.00 C ATOM 897 C PRO A 58 -2.902 1.883 -7.483 1.00 0.00 C ATOM 898 O PRO A 58 -3.590 2.893 -7.622 1.00 0.00 O ATOM 899 CB PRO A 58 -0.985 1.369 -5.891 1.00 0.00 C ATOM 900 CG PRO A 58 -0.589 -0.093 -6.007 1.00 0.00 C ATOM 901 CD PRO A 58 -1.856 -0.928 -5.916 1.00 0.00 C ATOM 0 HA PRO A 58 -2.949 2.128 -5.406 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -0.478 1.972 -6.644 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.706 1.773 -4.918 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.078 -0.276 -6.952 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.105 -0.365 -5.212 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.965 -1.578 -6.784 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.844 -1.570 -5.036 1.00 0.00 H new ATOM 909 N CYS A 59 -2.461 1.131 -8.480 1.00 0.00 N ATOM 910 CA CYS A 59 -2.774 1.461 -9.861 1.00 0.00 C ATOM 911 C CYS A 59 -4.293 1.576 -9.995 1.00 0.00 C ATOM 912 O CYS A 59 -4.792 2.221 -10.916 1.00 0.00 O ATOM 913 CB CYS A 59 -2.191 0.434 -10.834 1.00 0.00 C ATOM 914 SG CYS A 59 -2.949 -1.206 -10.541 1.00 0.00 S ATOM 0 H CYS A 59 -1.890 0.295 -8.360 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.314 2.414 -10.123 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.373 0.750 -11.861 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.110 0.372 -10.706 1.00 0.00 H new ATOM 0 HG CYS A 59 -2.449 -2.070 -11.374 1.00 0.00 H new ATOM 920 N THR A 60 -4.988 0.940 -9.063 1.00 0.00 N ATOM 921 CA THR A 60 -6.441 0.963 -9.066 1.00 0.00 C ATOM 922 C THR A 60 -6.952 2.359 -8.703 1.00 0.00 C ATOM 923 O THR A 60 -8.150 2.627 -8.790 1.00 0.00 O ATOM 924 CB THR A 60 -6.933 -0.130 -8.115 1.00 0.00 C ATOM 925 OG1 THR A 60 -7.309 -1.198 -8.980 1.00 0.00 O ATOM 926 CG2 THR A 60 -8.234 0.252 -7.407 1.00 0.00 C ATOM 0 H THR A 60 -4.572 0.406 -8.301 1.00 0.00 H new ATOM 0 HA THR A 60 -6.838 0.753 -10.059 1.00 0.00 H new ATOM 0 HB THR A 60 -6.163 -0.338 -7.372 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.639 -1.951 -8.446 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.539 -0.558 -6.744 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.078 1.159 -6.823 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.014 0.427 -8.148 1.00 0.00 H new ATOM 934 N PHE A 61 -6.020 3.211 -8.304 1.00 0.00 N ATOM 935 CA PHE A 61 -6.362 4.572 -7.928 1.00 0.00 C ATOM 936 C PHE A 61 -5.873 5.571 -8.979 1.00 0.00 C ATOM 937 O PHE A 61 -5.061 5.227 -9.837 1.00 0.00 O ATOM 938 CB PHE A 61 -5.656 4.860 -6.601 1.00 0.00 C ATOM 939 CG PHE A 61 -6.210 4.066 -5.417 1.00 0.00 C ATOM 940 CD1 PHE A 61 -7.553 3.921 -5.264 1.00 0.00 C ATOM 941 CD2 PHE A 61 -5.358 3.506 -4.516 1.00 0.00 C ATOM 942 CE1 PHE A 61 -8.067 3.184 -4.164 1.00 0.00 C ATOM 943 CE2 PHE A 61 -5.872 2.769 -3.417 1.00 0.00 C ATOM 944 CZ PHE A 61 -7.216 2.624 -3.264 1.00 0.00 C ATOM 0 H PHE A 61 -5.028 2.985 -8.233 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.444 4.674 -7.844 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.595 4.637 -6.710 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.737 5.925 -6.381 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.229 4.366 -5.979 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.291 3.622 -4.637 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -9.134 3.069 -4.043 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.196 2.323 -2.702 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.607 2.064 -2.427 1.00 0.00 H new ATOM 954 N GLY A 62 -6.388 6.787 -8.879 1.00 0.00 N ATOM 955 CA GLY A 62 -6.015 7.838 -9.810 1.00 0.00 C ATOM 956 C GLY A 62 -4.683 8.476 -9.411 1.00 0.00 C ATOM 957 O GLY A 62 -4.263 8.377 -8.259 1.00 0.00 O ATOM 0 H GLY A 62 -7.061 7.068 -8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.938 7.427 -10.817 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.794 8.600 -9.835 1.00 0.00 H new ATOM 961 N SER A 63 -4.055 9.116 -10.386 1.00 0.00 N ATOM 962 CA SER A 63 -2.779 9.771 -10.152 1.00 0.00 C ATOM 963 C SER A 63 -2.824 10.549 -8.835 1.00 0.00 C ATOM 964 O SER A 63 -1.955 10.382 -7.981 1.00 0.00 O ATOM 965 CB SER A 63 -2.418 10.705 -11.308 1.00 0.00 C ATOM 966 OG SER A 63 -3.546 11.440 -11.773 1.00 0.00 O ATOM 0 H SER A 63 -4.406 9.195 -11.340 1.00 0.00 H new ATOM 0 HA SER A 63 -2.008 9.003 -10.087 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.642 11.399 -10.985 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.002 10.121 -12.129 1.00 0.00 H new ATOM 0 HG SER A 63 -3.274 12.026 -12.510 1.00 0.00 H new ATOM 972 N GLN A 64 -3.846 11.383 -8.712 1.00 0.00 N ATOM 973 CA GLN A 64 -4.016 12.187 -7.514 1.00 0.00 C ATOM 974 C GLN A 64 -3.901 11.310 -6.266 1.00 0.00 C ATOM 975 O GLN A 64 -3.136 11.620 -5.353 1.00 0.00 O ATOM 976 CB GLN A 64 -5.352 12.933 -7.539 1.00 0.00 C ATOM 977 CG GLN A 64 -5.142 14.425 -7.806 1.00 0.00 C ATOM 978 CD GLN A 64 -5.274 14.739 -9.297 1.00 0.00 C ATOM 979 OE1 GLN A 64 -5.577 13.884 -10.114 1.00 0.00 O ATOM 980 NE2 GLN A 64 -5.032 16.010 -9.606 1.00 0.00 N ATOM 0 H GLN A 64 -4.565 11.519 -9.423 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.222 12.933 -7.485 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.995 12.509 -8.310 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.865 12.799 -6.587 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.873 15.005 -7.242 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.155 14.726 -7.453 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.783 16.675 -8.873 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.095 16.320 -10.576 1.00 0.00 H new ATOM 989 N ASN A 65 -4.672 10.233 -6.265 1.00 0.00 N ATOM 990 CA ASN A 65 -4.666 9.309 -5.143 1.00 0.00 C ATOM 991 C ASN A 65 -3.249 8.770 -4.939 1.00 0.00 C ATOM 992 O ASN A 65 -2.804 8.597 -3.806 1.00 0.00 O ATOM 993 CB ASN A 65 -5.592 8.119 -5.405 1.00 0.00 C ATOM 994 CG ASN A 65 -6.990 8.377 -4.839 1.00 0.00 C ATOM 995 OD1 ASN A 65 -7.355 9.491 -4.502 1.00 0.00 O ATOM 996 ND2 ASN A 65 -7.748 7.288 -4.753 1.00 0.00 N ATOM 0 H ASN A 65 -5.305 9.979 -7.023 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.012 9.848 -4.261 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.658 7.934 -6.477 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.173 7.221 -4.952 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.698 7.355 -4.387 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.380 6.385 -5.053 1.00 0.00 H new ATOM 1003 N LEU A 66 -2.579 8.521 -6.055 1.00 0.00 N ATOM 1004 CA LEU A 66 -1.221 8.005 -6.013 1.00 0.00 C ATOM 1005 C LEU A 66 -0.313 9.029 -5.329 1.00 0.00 C ATOM 1006 O LEU A 66 0.244 8.758 -4.266 1.00 0.00 O ATOM 1007 CB LEU A 66 -0.755 7.608 -7.415 1.00 0.00 C ATOM 1008 CG LEU A 66 -1.586 6.533 -8.118 1.00 0.00 C ATOM 1009 CD1 LEU A 66 -1.182 6.403 -9.588 1.00 0.00 C ATOM 1010 CD2 LEU A 66 -1.494 5.197 -7.378 1.00 0.00 C ATOM 0 H LEU A 66 -2.951 8.667 -6.993 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.178 7.092 -5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.748 8.501 -8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.275 7.257 -7.348 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.631 6.841 -8.097 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.788 5.632 -10.065 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.341 7.355 -10.095 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.129 6.129 -9.653 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.094 4.451 -7.899 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.455 4.870 -7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.868 5.318 -6.361 1.00 0.00 H new ATOM 1022 N GLU A 67 -0.190 10.183 -5.967 1.00 0.00 N ATOM 1023 CA GLU A 67 0.641 11.249 -5.434 1.00 0.00 C ATOM 1024 C GLU A 67 0.504 11.318 -3.912 1.00 0.00 C ATOM 1025 O GLU A 67 1.458 11.658 -3.214 1.00 0.00 O ATOM 1026 CB GLU A 67 0.291 12.592 -6.078 1.00 0.00 C ATOM 1027 CG GLU A 67 1.368 13.019 -7.077 1.00 0.00 C ATOM 1028 CD GLU A 67 1.654 14.518 -6.968 1.00 0.00 C ATOM 1029 OE1 GLU A 67 0.727 15.243 -6.549 1.00 0.00 O ATOM 1030 OE2 GLU A 67 2.794 14.904 -7.305 1.00 0.00 O ATOM 0 H GLU A 67 -0.652 10.404 -6.849 1.00 0.00 H new ATOM 0 HA GLU A 67 1.681 11.028 -5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.671 12.516 -6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.185 13.353 -5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.283 12.456 -6.893 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.045 12.780 -8.090 1.00 0.00 H new ATOM 1037 N ARG A 68 -0.690 10.989 -3.442 1.00 0.00 N ATOM 1038 CA ARG A 68 -0.964 11.009 -2.015 1.00 0.00 C ATOM 1039 C ARG A 68 -0.282 9.825 -1.326 1.00 0.00 C ATOM 1040 O ARG A 68 0.412 9.999 -0.326 1.00 0.00 O ATOM 1041 CB ARG A 68 -2.468 10.952 -1.742 1.00 0.00 C ATOM 1042 CG ARG A 68 -3.189 12.132 -2.395 1.00 0.00 C ATOM 1043 CD ARG A 68 -4.667 11.810 -2.631 1.00 0.00 C ATOM 1044 NE ARG A 68 -5.517 12.816 -1.956 1.00 0.00 N ATOM 1045 CZ ARG A 68 -5.708 12.871 -0.631 1.00 0.00 C ATOM 1046 NH1 ARG A 68 -5.110 11.978 0.170 1.00 0.00 N ATOM 1047 NH2 ARG A 68 -6.498 13.818 -0.106 1.00 0.00 N ATOM 0 H ARG A 68 -1.479 10.707 -4.024 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.569 11.943 -1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.875 10.016 -2.124 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.647 10.962 -0.667 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.102 13.013 -1.759 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.710 12.375 -3.344 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.880 11.800 -3.700 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.896 10.814 -2.251 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.987 13.511 -2.536 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.509 11.257 -0.229 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.255 12.020 1.179 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.954 14.497 -0.715 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.643 13.859 0.903 1.00 0.00 H new ATOM 1061 N ILE A 69 -0.503 8.646 -1.890 1.00 0.00 N ATOM 1062 CA ILE A 69 0.081 7.434 -1.343 1.00 0.00 C ATOM 1063 C ILE A 69 1.585 7.638 -1.155 1.00 0.00 C ATOM 1064 O ILE A 69 2.072 7.688 -0.026 1.00 0.00 O ATOM 1065 CB ILE A 69 -0.272 6.228 -2.216 1.00 0.00 C ATOM 1066 CG1 ILE A 69 -1.719 5.788 -1.985 1.00 0.00 C ATOM 1067 CG2 ILE A 69 0.718 5.082 -1.994 1.00 0.00 C ATOM 1068 CD1 ILE A 69 -2.282 5.085 -3.222 1.00 0.00 C ATOM 0 H ILE A 69 -1.079 8.505 -2.720 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.337 7.220 -0.360 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.190 6.527 -3.261 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.766 5.117 -1.128 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.333 6.656 -1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.444 4.237 -2.626 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.724 5.416 -2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.692 4.776 -0.948 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.312 4.782 -3.031 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.256 5.767 -4.072 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.680 4.204 -3.445 1.00 0.00 H new ATOM 1080 N LEU A 70 2.280 7.750 -2.277 1.00 0.00 N ATOM 1081 CA LEU A 70 3.719 7.948 -2.250 1.00 0.00 C ATOM 1082 C LEU A 70 4.066 9.000 -1.195 1.00 0.00 C ATOM 1083 O LEU A 70 5.166 8.995 -0.647 1.00 0.00 O ATOM 1084 CB LEU A 70 4.240 8.284 -3.649 1.00 0.00 C ATOM 1085 CG LEU A 70 3.938 7.258 -4.742 1.00 0.00 C ATOM 1086 CD1 LEU A 70 4.276 7.815 -6.126 1.00 0.00 C ATOM 1087 CD2 LEU A 70 4.655 5.935 -4.466 1.00 0.00 C ATOM 0 H LEU A 70 1.873 7.707 -3.211 1.00 0.00 H new ATOM 0 HA LEU A 70 4.225 7.027 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.818 9.242 -3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.320 8.416 -3.591 1.00 0.00 H new ATOM 0 HG LEU A 70 2.868 7.053 -4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.052 7.065 -6.885 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.682 8.710 -6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.335 8.068 -6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.423 5.223 -5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.731 6.104 -4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.322 5.534 -3.509 1.00 0.00 H new ATOM 1099 N ALA A 71 3.105 9.877 -0.943 1.00 0.00 N ATOM 1100 CA ALA A 71 3.295 10.934 0.036 1.00 0.00 C ATOM 1101 C ALA A 71 3.442 10.313 1.427 1.00 0.00 C ATOM 1102 O ALA A 71 4.442 10.535 2.107 1.00 0.00 O ATOM 1103 CB ALA A 71 2.127 11.919 -0.042 1.00 0.00 C ATOM 0 H ALA A 71 2.193 9.877 -1.400 1.00 0.00 H new ATOM 0 HA ALA A 71 4.207 11.493 -0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.270 12.712 0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.083 12.353 -1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.194 11.395 0.167 1.00 0.00 H new ATOM 1109 N VAL A 72 2.429 9.548 1.809 1.00 0.00 N ATOM 1110 CA VAL A 72 2.433 8.894 3.106 1.00 0.00 C ATOM 1111 C VAL A 72 3.047 7.499 2.968 1.00 0.00 C ATOM 1112 O VAL A 72 2.816 6.630 3.807 1.00 0.00 O ATOM 1113 CB VAL A 72 1.017 8.870 3.684 1.00 0.00 C ATOM 1114 CG1 VAL A 72 0.523 10.286 3.985 1.00 0.00 C ATOM 1115 CG2 VAL A 72 0.054 8.141 2.744 1.00 0.00 C ATOM 0 H VAL A 72 1.600 9.367 1.243 1.00 0.00 H new ATOM 0 HA VAL A 72 3.049 9.451 3.813 1.00 0.00 H new ATOM 0 HB VAL A 72 1.048 8.320 4.625 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.486 10.240 4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.188 10.757 4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.515 10.872 3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.946 8.138 3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.030 8.651 1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.391 7.114 2.602 1.00 0.00 H new ATOM 1125 N ALA A 73 3.815 7.329 1.902 1.00 0.00 N ATOM 1126 CA ALA A 73 4.464 6.055 1.643 1.00 0.00 C ATOM 1127 C ALA A 73 5.119 5.550 2.930 1.00 0.00 C ATOM 1128 O ALA A 73 5.258 4.344 3.129 1.00 0.00 O ATOM 1129 CB ALA A 73 5.469 6.216 0.501 1.00 0.00 C ATOM 0 H ALA A 73 4.002 8.052 1.208 1.00 0.00 H new ATOM 0 HA ALA A 73 3.733 5.309 1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.956 5.260 0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.949 6.547 -0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.220 6.956 0.779 1.00 0.00 H new ATOM 1135 N ASP A 74 5.506 6.498 3.771 1.00 0.00 N ATOM 1136 CA ASP A 74 6.144 6.165 5.033 1.00 0.00 C ATOM 1137 C ASP A 74 5.099 5.590 5.991 1.00 0.00 C ATOM 1138 O ASP A 74 5.348 4.586 6.657 1.00 0.00 O ATOM 1139 CB ASP A 74 6.753 7.407 5.687 1.00 0.00 C ATOM 1140 CG ASP A 74 5.954 8.697 5.494 1.00 0.00 C ATOM 1141 OD1 ASP A 74 5.955 9.199 4.350 1.00 0.00 O ATOM 1142 OD2 ASP A 74 5.359 9.152 6.496 1.00 0.00 O ATOM 0 H ASP A 74 5.390 7.497 3.603 1.00 0.00 H new ATOM 0 HA ASP A 74 6.933 5.440 4.831 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.861 7.221 6.756 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.756 7.555 5.287 1.00 0.00 H new ATOM 1147 N LYS A 75 3.951 6.250 6.030 1.00 0.00 N ATOM 1148 CA LYS A 75 2.867 5.817 6.895 1.00 0.00 C ATOM 1149 C LYS A 75 2.453 4.394 6.513 1.00 0.00 C ATOM 1150 O LYS A 75 2.373 3.516 7.370 1.00 0.00 O ATOM 1151 CB LYS A 75 1.716 6.824 6.857 1.00 0.00 C ATOM 1152 CG LYS A 75 2.220 8.243 7.125 1.00 0.00 C ATOM 1153 CD LYS A 75 1.698 8.767 8.464 1.00 0.00 C ATOM 1154 CE LYS A 75 1.950 10.270 8.602 1.00 0.00 C ATOM 1155 NZ LYS A 75 2.219 10.623 10.013 1.00 0.00 N ATOM 0 H LYS A 75 3.748 7.082 5.476 1.00 0.00 H new ATOM 0 HA LYS A 75 3.197 5.785 7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.227 6.786 5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.967 6.554 7.601 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.310 8.251 7.127 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.898 8.905 6.321 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.630 8.565 8.546 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.186 8.236 9.281 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.797 10.561 7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.084 10.825 8.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.388 11.646 10.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.400 10.363 10.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.059 10.108 10.346 1.00 0.00 H new ATOM 1169 N ILE A 76 2.200 4.212 5.225 1.00 0.00 N ATOM 1170 CA ILE A 76 1.795 2.911 4.719 1.00 0.00 C ATOM 1171 C ILE A 76 2.618 1.821 5.410 1.00 0.00 C ATOM 1172 O ILE A 76 3.845 1.819 5.327 1.00 0.00 O ATOM 1173 CB ILE A 76 1.889 2.877 3.193 1.00 0.00 C ATOM 1174 CG1 ILE A 76 0.813 3.760 2.558 1.00 0.00 C ATOM 1175 CG2 ILE A 76 1.832 1.440 2.671 1.00 0.00 C ATOM 1176 CD1 ILE A 76 1.256 4.261 1.182 1.00 0.00 C ATOM 0 H ILE A 76 2.268 4.943 4.517 1.00 0.00 H new ATOM 0 HA ILE A 76 0.748 2.719 4.955 1.00 0.00 H new ATOM 0 HB ILE A 76 2.856 3.287 2.902 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.115 3.196 2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.604 4.609 3.208 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.901 1.445 1.583 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.664 0.869 3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.891 0.980 2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.473 4.886 0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.171 4.845 1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.440 3.410 0.527 1.00 0.00 H new ATOM 1188 N LYS A 77 1.909 0.922 6.077 1.00 0.00 N ATOM 1189 CA LYS A 77 2.558 -0.170 6.782 1.00 0.00 C ATOM 1190 C LYS A 77 1.874 -1.488 6.412 1.00 0.00 C ATOM 1191 O LYS A 77 0.650 -1.595 6.474 1.00 0.00 O ATOM 1192 CB LYS A 77 2.588 0.106 8.286 1.00 0.00 C ATOM 1193 CG LYS A 77 3.201 -1.071 9.047 1.00 0.00 C ATOM 1194 CD LYS A 77 3.090 -0.864 10.559 1.00 0.00 C ATOM 1195 CE LYS A 77 3.929 -1.895 11.317 1.00 0.00 C ATOM 1196 NZ LYS A 77 3.428 -2.054 12.701 1.00 0.00 N ATOM 0 H LYS A 77 0.891 0.928 6.144 1.00 0.00 H new ATOM 0 HA LYS A 77 3.601 -0.255 6.476 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.164 1.010 8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.576 0.289 8.646 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.695 -1.994 8.765 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.249 -1.183 8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.422 0.141 10.817 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.047 -0.943 10.865 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.894 -2.853 10.799 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.973 -1.581 11.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.008 -2.757 13.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.484 -1.142 13.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.439 -2.375 12.677 1.00 0.00 H new ATOM 1210 N PHE A 78 2.694 -2.458 6.036 1.00 0.00 N ATOM 1211 CA PHE A 78 2.183 -3.764 5.657 1.00 0.00 C ATOM 1212 C PHE A 78 2.375 -4.778 6.787 1.00 0.00 C ATOM 1213 O PHE A 78 3.313 -4.664 7.575 1.00 0.00 O ATOM 1214 CB PHE A 78 2.986 -4.221 4.437 1.00 0.00 C ATOM 1215 CG PHE A 78 2.447 -3.696 3.105 1.00 0.00 C ATOM 1216 CD1 PHE A 78 2.159 -2.375 2.961 1.00 0.00 C ATOM 1217 CD2 PHE A 78 2.255 -4.551 2.064 1.00 0.00 C ATOM 1218 CE1 PHE A 78 1.658 -1.887 1.725 1.00 0.00 C ATOM 1219 CE2 PHE A 78 1.755 -4.063 0.828 1.00 0.00 C ATOM 1220 CZ PHE A 78 1.467 -2.742 0.685 1.00 0.00 C ATOM 0 H PHE A 78 3.709 -2.366 5.986 1.00 0.00 H new ATOM 0 HA PHE A 78 1.116 -3.698 5.442 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.020 -3.895 4.553 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.996 -5.311 4.409 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.311 -1.696 3.787 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.483 -5.601 2.178 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.429 -0.838 1.611 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.603 -4.741 0.001 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.086 -2.371 -0.255 1.00 0.00 H new ATOM 1230 N THR A 79 1.472 -5.746 6.830 1.00 0.00 N ATOM 1231 CA THR A 79 1.529 -6.778 7.851 1.00 0.00 C ATOM 1232 C THR A 79 1.551 -8.165 7.206 1.00 0.00 C ATOM 1233 O THR A 79 0.864 -8.404 6.214 1.00 0.00 O ATOM 1234 CB THR A 79 0.349 -6.569 8.802 1.00 0.00 C ATOM 1235 OG1 THR A 79 0.750 -5.471 9.617 1.00 0.00 O ATOM 1236 CG2 THR A 79 0.182 -7.725 9.791 1.00 0.00 C ATOM 0 H THR A 79 0.696 -5.838 6.174 1.00 0.00 H new ATOM 0 HA THR A 79 2.449 -6.709 8.432 1.00 0.00 H new ATOM 0 HB THR A 79 -0.567 -6.451 8.223 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.041 -5.267 10.262 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.669 -7.526 10.442 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.011 -8.651 9.242 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.085 -7.822 10.393 1.00 0.00 H new ATOM 1244 N VAL A 80 2.349 -9.044 7.795 1.00 0.00 N ATOM 1245 CA VAL A 80 2.470 -10.401 7.290 1.00 0.00 C ATOM 1246 C VAL A 80 2.172 -11.389 8.419 1.00 0.00 C ATOM 1247 O VAL A 80 3.024 -11.640 9.270 1.00 0.00 O ATOM 1248 CB VAL A 80 3.852 -10.606 6.665 1.00 0.00 C ATOM 1249 CG1 VAL A 80 4.082 -12.077 6.314 1.00 0.00 C ATOM 1250 CG2 VAL A 80 4.036 -9.714 5.436 1.00 0.00 C ATOM 0 H VAL A 80 2.918 -8.843 8.617 1.00 0.00 H new ATOM 0 HA VAL A 80 1.741 -10.581 6.500 1.00 0.00 H new ATOM 0 HB VAL A 80 4.600 -10.317 7.404 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.071 -12.195 5.872 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.014 -12.682 7.218 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.325 -12.404 5.602 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.026 -9.879 5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.277 -9.958 4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.936 -8.668 5.727 1.00 0.00 H new