USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 525 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 46 TYR OH : rot 0:sc= 0.356 USER MOD Set 1.2: A 61 THR OG1 : rot 80:sc= 0.371 USER MOD Set 2.1: A 37 CYS SG : rot 159:sc= -0.977 USER MOD Set 2.2: A 41 GLN : amide:sc= 0.0806 X(o=-0.9,f=-0.98) USER MOD Single : A 9 GLN : amide:sc= -1.81 K(o=-1.8,f=-0.39) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.503 X(o=-0.5,f=-0.5) USER MOD Single : A 26 SER OG : rot 150:sc= -0.393 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 0.196 (180deg=0.183) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot -110:sc= -0.77 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= -0.148 (180deg=-0.148) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-7.6!) USER MOD Single : A 70 HIS : no HE2:sc= -6.64! C(o=-6.6!,f=-6.4!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.135 USER MOD Single : A 75 LYS NZ :NH3+ -106:sc= 0.0367 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 1.369 -19.843 -0.131 1.00 0.00 N ATOM 67 CA ASP A 8 1.331 -19.254 1.196 1.00 0.00 C ATOM 68 C ASP A 8 1.275 -17.730 1.071 1.00 0.00 C ATOM 69 O ASP A 8 0.372 -17.092 1.610 1.00 0.00 O ATOM 70 CB ASP A 8 2.583 -19.617 1.996 1.00 0.00 C ATOM 71 CG ASP A 8 2.658 -21.075 2.453 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.574 -21.675 2.617 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.798 -21.557 2.629 1.00 0.00 O ATOM 0 HA ASP A 8 0.451 -19.639 1.711 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.461 -19.397 1.388 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.634 -18.974 2.874 1.00 0.00 H new ATOM 78 N GLN A 9 2.252 -17.190 0.358 1.00 0.00 N ATOM 79 CA GLN A 9 2.326 -15.753 0.156 1.00 0.00 C ATOM 80 C GLN A 9 1.124 -15.269 -0.658 1.00 0.00 C ATOM 81 O GLN A 9 0.791 -14.085 -0.636 1.00 0.00 O ATOM 82 CB GLN A 9 3.640 -15.362 -0.523 1.00 0.00 C ATOM 83 CG GLN A 9 4.835 -16.007 0.182 1.00 0.00 C ATOM 84 CD GLN A 9 4.696 -15.903 1.702 1.00 0.00 C ATOM 85 OE1 GLN A 9 4.861 -16.866 2.434 1.00 0.00 O ATOM 86 NE2 GLN A 9 4.385 -14.685 2.135 1.00 0.00 N ATOM 0 H GLN A 9 3.000 -17.722 -0.087 1.00 0.00 H new ATOM 0 HA GLN A 9 2.300 -15.267 1.131 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.619 -15.671 -1.568 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.750 -14.278 -0.514 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.911 -17.055 -0.109 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.756 -15.520 -0.137 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.261 -13.923 1.468 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.270 -14.513 3.134 1.00 0.00 H new ATOM 95 N LYS A 10 0.505 -16.210 -1.356 1.00 0.00 N ATOM 96 CA LYS A 10 -0.653 -15.895 -2.175 1.00 0.00 C ATOM 97 C LYS A 10 -1.821 -15.500 -1.269 1.00 0.00 C ATOM 98 O LYS A 10 -2.616 -14.629 -1.618 1.00 0.00 O ATOM 99 CB LYS A 10 -0.973 -17.054 -3.120 1.00 0.00 C ATOM 100 CG LYS A 10 -1.088 -16.567 -4.566 1.00 0.00 C ATOM 101 CD LYS A 10 -0.816 -17.705 -5.552 1.00 0.00 C ATOM 102 CE LYS A 10 -1.581 -17.493 -6.859 1.00 0.00 C ATOM 103 NZ LYS A 10 -0.663 -17.579 -8.017 1.00 0.00 N ATOM 0 H LYS A 10 0.784 -17.191 -1.371 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.443 -15.040 -2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.193 -17.812 -3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.907 -17.528 -2.817 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.085 -16.162 -4.739 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.380 -15.756 -4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.253 -17.765 -5.758 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.108 -18.655 -5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.366 -18.243 -6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.070 -16.519 -6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.199 -17.433 -8.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.071 -16.847 -7.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.216 -18.518 -8.036 1.00 0.00 H new ATOM 117 N LYS A 11 -1.888 -16.161 -0.122 1.00 0.00 N ATOM 118 CA LYS A 11 -2.945 -15.891 0.837 1.00 0.00 C ATOM 119 C LYS A 11 -2.646 -14.577 1.562 1.00 0.00 C ATOM 120 O LYS A 11 -3.556 -13.801 1.849 1.00 0.00 O ATOM 121 CB LYS A 11 -3.134 -17.083 1.777 1.00 0.00 C ATOM 122 CG LYS A 11 -3.938 -18.194 1.098 1.00 0.00 C ATOM 123 CD LYS A 11 -4.345 -19.271 2.106 1.00 0.00 C ATOM 124 CE LYS A 11 -4.639 -20.597 1.403 1.00 0.00 C ATOM 125 NZ LYS A 11 -3.420 -21.435 1.346 1.00 0.00 N ATOM 0 H LYS A 11 -1.227 -16.883 0.164 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.899 -15.764 0.326 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.161 -17.468 2.082 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.647 -16.759 2.682 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.828 -17.771 0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.345 -18.642 0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.547 -19.411 2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.227 -18.944 2.657 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.429 -21.129 1.933 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.004 -20.407 0.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.637 -22.331 0.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.677 -20.932 0.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.088 -21.631 2.312 1.00 0.00 H new ATOM 139 N PHE A 12 -1.367 -14.369 1.839 1.00 0.00 N ATOM 140 CA PHE A 12 -0.936 -13.163 2.525 1.00 0.00 C ATOM 141 C PHE A 12 -1.205 -11.921 1.673 1.00 0.00 C ATOM 142 O PHE A 12 -1.817 -10.963 2.141 1.00 0.00 O ATOM 143 CB PHE A 12 0.570 -13.293 2.756 1.00 0.00 C ATOM 144 CG PHE A 12 1.268 -11.969 3.072 1.00 0.00 C ATOM 145 CD1 PHE A 12 1.623 -11.129 2.064 1.00 0.00 C ATOM 146 CD2 PHE A 12 1.534 -11.632 4.363 1.00 0.00 C ATOM 147 CE1 PHE A 12 2.271 -9.900 2.358 1.00 0.00 C ATOM 148 CE2 PHE A 12 2.181 -10.403 4.657 1.00 0.00 C ATOM 149 CZ PHE A 12 2.536 -9.563 3.648 1.00 0.00 C ATOM 0 H PHE A 12 -0.615 -15.016 1.601 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.483 -13.053 3.462 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.742 -13.988 3.578 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.027 -13.730 1.868 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.412 -11.396 1.039 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.253 -12.299 5.164 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.553 -9.233 1.557 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.391 -10.135 5.682 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.028 -8.628 3.872 1.00 0.00 H new ATOM 159 N ILE A 13 -0.733 -11.979 0.436 1.00 0.00 N ATOM 160 CA ILE A 13 -0.915 -10.870 -0.486 1.00 0.00 C ATOM 161 C ILE A 13 -2.410 -10.590 -0.652 1.00 0.00 C ATOM 162 O ILE A 13 -2.858 -9.460 -0.462 1.00 0.00 O ATOM 163 CB ILE A 13 -0.191 -11.147 -1.805 1.00 0.00 C ATOM 164 CG1 ILE A 13 0.072 -9.848 -2.569 1.00 0.00 C ATOM 165 CG2 ILE A 13 -0.961 -12.163 -2.651 1.00 0.00 C ATOM 166 CD1 ILE A 13 1.299 -9.123 -2.012 1.00 0.00 C ATOM 0 H ILE A 13 -0.225 -12.776 0.051 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.463 -9.963 -0.085 1.00 0.00 H new ATOM 0 HB ILE A 13 0.779 -11.588 -1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.224 -10.068 -3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.801 -9.199 -2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.424 -12.342 -3.583 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.054 -13.099 -2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.954 -11.773 -2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.464 -8.203 -2.573 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.134 -8.883 -0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.174 -9.766 -2.104 1.00 0.00 H new ATOM 178 N ASP A 14 -3.140 -11.638 -1.005 1.00 0.00 N ATOM 179 CA ASP A 14 -4.575 -11.518 -1.198 1.00 0.00 C ATOM 180 C ASP A 14 -5.179 -10.729 -0.034 1.00 0.00 C ATOM 181 O ASP A 14 -5.863 -9.730 -0.246 1.00 0.00 O ATOM 182 CB ASP A 14 -5.243 -12.895 -1.233 1.00 0.00 C ATOM 183 CG ASP A 14 -6.579 -12.947 -1.976 1.00 0.00 C ATOM 184 OD1 ASP A 14 -6.643 -12.346 -3.071 1.00 0.00 O ATOM 185 OD2 ASP A 14 -7.506 -13.586 -1.434 1.00 0.00 O ATOM 0 H ASP A 14 -2.765 -12.573 -1.162 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.746 -11.009 -2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.558 -13.603 -1.699 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.401 -13.232 -0.208 1.00 0.00 H new ATOM 190 N GLN A 15 -4.903 -11.209 1.170 1.00 0.00 N ATOM 191 CA GLN A 15 -5.410 -10.561 2.367 1.00 0.00 C ATOM 192 C GLN A 15 -5.154 -9.054 2.304 1.00 0.00 C ATOM 193 O GLN A 15 -6.032 -8.257 2.632 1.00 0.00 O ATOM 194 CB GLN A 15 -4.788 -11.170 3.625 1.00 0.00 C ATOM 195 CG GLN A 15 -5.385 -12.548 3.920 1.00 0.00 C ATOM 196 CD GLN A 15 -5.996 -12.592 5.322 1.00 0.00 C ATOM 197 OE1 GLN A 15 -7.090 -12.111 5.566 1.00 0.00 O ATOM 198 NE2 GLN A 15 -5.230 -13.195 6.227 1.00 0.00 N ATOM 0 H GLN A 15 -4.335 -12.039 1.342 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.486 -10.725 2.417 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.709 -11.257 3.496 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.955 -10.508 4.475 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.149 -12.784 3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.611 -13.310 3.833 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.324 -13.576 5.955 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.549 -13.276 7.192 1.00 0.00 H new ATOM 207 N VAL A 16 -3.947 -8.708 1.881 1.00 0.00 N ATOM 208 CA VAL A 16 -3.565 -7.310 1.770 1.00 0.00 C ATOM 209 C VAL A 16 -4.465 -6.619 0.744 1.00 0.00 C ATOM 210 O VAL A 16 -5.042 -5.570 1.027 1.00 0.00 O ATOM 211 CB VAL A 16 -2.077 -7.200 1.430 1.00 0.00 C ATOM 212 CG1 VAL A 16 -1.671 -5.741 1.211 1.00 0.00 C ATOM 213 CG2 VAL A 16 -1.217 -7.852 2.515 1.00 0.00 C ATOM 0 H VAL A 16 -3.221 -9.371 1.611 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.706 -6.799 2.722 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.905 -7.739 0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.609 -5.691 0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.249 -5.322 0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.865 -5.169 2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.164 -7.760 2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.395 -7.355 3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.478 -8.907 2.602 1.00 0.00 H new ATOM 223 N ILE A 17 -4.557 -7.235 -0.425 1.00 0.00 N ATOM 224 CA ILE A 17 -5.378 -6.692 -1.494 1.00 0.00 C ATOM 225 C ILE A 17 -6.676 -6.137 -0.904 1.00 0.00 C ATOM 226 O ILE A 17 -7.003 -4.968 -1.104 1.00 0.00 O ATOM 227 CB ILE A 17 -5.598 -7.741 -2.586 1.00 0.00 C ATOM 228 CG1 ILE A 17 -4.271 -8.370 -3.018 1.00 0.00 C ATOM 229 CG2 ILE A 17 -6.363 -7.147 -3.771 1.00 0.00 C ATOM 230 CD1 ILE A 17 -3.164 -7.316 -3.095 1.00 0.00 C ATOM 0 H ILE A 17 -4.077 -8.105 -0.656 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.868 -5.861 -1.981 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.214 -8.540 -2.173 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.987 -9.150 -2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.391 -8.849 -3.990 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.506 -7.913 -4.533 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.334 -6.786 -3.433 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.794 -6.318 -4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.232 -7.789 -3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.440 -6.551 -3.820 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.030 -6.857 -2.116 1.00 0.00 H new ATOM 242 N GLU A 18 -7.380 -7.002 -0.188 1.00 0.00 N ATOM 243 CA GLU A 18 -8.635 -6.613 0.432 1.00 0.00 C ATOM 244 C GLU A 18 -8.515 -5.214 1.039 1.00 0.00 C ATOM 245 O GLU A 18 -9.354 -4.350 0.788 1.00 0.00 O ATOM 246 CB GLU A 18 -9.064 -7.634 1.488 1.00 0.00 C ATOM 247 CG GLU A 18 -9.766 -8.829 0.841 1.00 0.00 C ATOM 248 CD GLU A 18 -10.998 -8.380 0.052 1.00 0.00 C ATOM 249 OE1 GLU A 18 -10.822 -8.070 -1.146 1.00 0.00 O ATOM 250 OE2 GLU A 18 -12.087 -8.357 0.665 1.00 0.00 O ATOM 0 H GLU A 18 -7.105 -7.970 -0.024 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.407 -6.589 -0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.191 -7.977 2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.733 -7.160 2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.073 -9.347 0.177 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.062 -9.542 1.611 1.00 0.00 H new ATOM 257 N LYS A 19 -7.465 -5.033 1.828 1.00 0.00 N ATOM 258 CA LYS A 19 -7.225 -3.753 2.473 1.00 0.00 C ATOM 259 C LYS A 19 -7.043 -2.674 1.403 1.00 0.00 C ATOM 260 O LYS A 19 -7.608 -1.587 1.511 1.00 0.00 O ATOM 261 CB LYS A 19 -6.051 -3.857 3.448 1.00 0.00 C ATOM 262 CG LYS A 19 -6.329 -4.901 4.532 1.00 0.00 C ATOM 263 CD LYS A 19 -5.030 -5.552 5.011 1.00 0.00 C ATOM 264 CE LYS A 19 -4.947 -5.550 6.539 1.00 0.00 C ATOM 265 NZ LYS A 19 -4.575 -4.206 7.036 1.00 0.00 N ATOM 0 H LYS A 19 -6.771 -5.752 2.035 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.085 -3.462 3.076 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.145 -4.124 2.904 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.871 -2.887 3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.836 -4.430 5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.001 -5.665 4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.974 -6.576 4.642 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.176 -5.017 4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.907 -5.848 6.962 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.212 -6.283 6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.523 -4.222 8.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.649 -3.936 6.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.291 -3.514 6.736 1.00 0.00 H new ATOM 279 N ILE A 20 -6.253 -3.012 0.395 1.00 0.00 N ATOM 280 CA ILE A 20 -5.989 -2.086 -0.692 1.00 0.00 C ATOM 281 C ILE A 20 -7.308 -1.721 -1.376 1.00 0.00 C ATOM 282 O ILE A 20 -7.745 -0.572 -1.317 1.00 0.00 O ATOM 283 CB ILE A 20 -4.942 -2.664 -1.646 1.00 0.00 C ATOM 284 CG1 ILE A 20 -3.632 -2.954 -0.911 1.00 0.00 C ATOM 285 CG2 ILE A 20 -4.731 -1.744 -2.851 1.00 0.00 C ATOM 286 CD1 ILE A 20 -2.714 -3.841 -1.755 1.00 0.00 C ATOM 0 H ILE A 20 -5.787 -3.915 0.308 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.561 -1.160 -0.308 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.315 -3.614 -2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.126 -2.017 -0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.845 -3.445 0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.982 -2.178 -3.513 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.671 -1.630 -3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.390 -0.767 -2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.790 -4.032 -1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.214 -4.787 -1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.484 -3.337 -2.694 1.00 0.00 H new ATOM 298 N GLU A 21 -7.906 -2.719 -2.009 1.00 0.00 N ATOM 299 CA GLU A 21 -9.167 -2.517 -2.703 1.00 0.00 C ATOM 300 C GLU A 21 -10.067 -1.572 -1.905 1.00 0.00 C ATOM 301 O GLU A 21 -10.484 -0.531 -2.412 1.00 0.00 O ATOM 302 CB GLU A 21 -9.868 -3.851 -2.965 1.00 0.00 C ATOM 303 CG GLU A 21 -9.215 -4.595 -4.132 1.00 0.00 C ATOM 304 CD GLU A 21 -10.128 -4.596 -5.361 1.00 0.00 C ATOM 305 OE1 GLU A 21 -10.365 -3.490 -5.892 1.00 0.00 O ATOM 306 OE2 GLU A 21 -10.566 -5.703 -5.741 1.00 0.00 O ATOM 0 H GLU A 21 -7.541 -3.670 -2.056 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.958 -2.058 -3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.829 -4.469 -2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.921 -3.675 -3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.264 -4.125 -4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.995 -5.621 -3.837 1.00 0.00 H new ATOM 313 N ASP A 22 -10.339 -1.967 -0.670 1.00 0.00 N ATOM 314 CA ASP A 22 -11.182 -1.168 0.203 1.00 0.00 C ATOM 315 C ASP A 22 -10.646 0.265 0.250 1.00 0.00 C ATOM 316 O ASP A 22 -11.379 1.214 -0.023 1.00 0.00 O ATOM 317 CB ASP A 22 -11.179 -1.721 1.629 1.00 0.00 C ATOM 318 CG ASP A 22 -12.563 -1.920 2.249 1.00 0.00 C ATOM 319 OD1 ASP A 22 -13.466 -2.345 1.496 1.00 0.00 O ATOM 320 OD2 ASP A 22 -12.688 -1.641 3.461 1.00 0.00 O ATOM 0 H ASP A 22 -9.990 -2.830 -0.253 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.198 -1.195 -0.192 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.656 -2.677 1.630 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.607 -1.044 2.264 1.00 0.00 H new ATOM 325 N PHE A 23 -9.373 0.375 0.598 1.00 0.00 N ATOM 326 CA PHE A 23 -8.730 1.675 0.685 1.00 0.00 C ATOM 327 C PHE A 23 -8.911 2.464 -0.614 1.00 0.00 C ATOM 328 O PHE A 23 -9.090 3.680 -0.586 1.00 0.00 O ATOM 329 CB PHE A 23 -7.239 1.423 0.912 1.00 0.00 C ATOM 330 CG PHE A 23 -6.331 2.525 0.361 1.00 0.00 C ATOM 331 CD1 PHE A 23 -6.429 3.792 0.844 1.00 0.00 C ATOM 332 CD2 PHE A 23 -5.425 2.236 -0.612 1.00 0.00 C ATOM 333 CE1 PHE A 23 -5.587 4.815 0.332 1.00 0.00 C ATOM 334 CE2 PHE A 23 -4.582 3.259 -1.123 1.00 0.00 C ATOM 335 CZ PHE A 23 -4.681 4.526 -0.640 1.00 0.00 C ATOM 0 H PHE A 23 -8.769 -0.415 0.823 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.172 2.255 1.495 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.057 1.318 1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -6.966 0.475 0.448 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.147 4.021 1.617 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.347 1.229 -0.996 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.666 5.822 0.715 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.862 3.030 -1.895 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.040 5.303 -1.028 1.00 0.00 H new ATOM 345 N LEU A 24 -8.858 1.738 -1.721 1.00 0.00 N ATOM 346 CA LEU A 24 -9.013 2.354 -3.028 1.00 0.00 C ATOM 347 C LEU A 24 -10.472 2.773 -3.219 1.00 0.00 C ATOM 348 O LEU A 24 -10.754 3.766 -3.888 1.00 0.00 O ATOM 349 CB LEU A 24 -8.492 1.423 -4.124 1.00 0.00 C ATOM 350 CG LEU A 24 -7.038 0.967 -3.982 1.00 0.00 C ATOM 351 CD1 LEU A 24 -6.734 -0.199 -4.925 1.00 0.00 C ATOM 352 CD2 LEU A 24 -6.074 2.137 -4.189 1.00 0.00 C ATOM 0 H LEU A 24 -8.710 0.729 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.409 3.259 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.128 0.538 -4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.602 1.927 -5.084 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.892 0.605 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.694 -0.503 -4.804 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.388 -1.038 -4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.903 0.113 -5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.048 1.786 -4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.214 2.552 -5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.273 2.908 -3.445 1.00 0.00 H new ATOM 364 N GLN A 25 -11.361 1.995 -2.620 1.00 0.00 N ATOM 365 CA GLN A 25 -12.784 2.272 -2.717 1.00 0.00 C ATOM 366 C GLN A 25 -13.127 3.554 -1.955 1.00 0.00 C ATOM 367 O GLN A 25 -13.649 4.505 -2.536 1.00 0.00 O ATOM 368 CB GLN A 25 -13.610 1.092 -2.202 1.00 0.00 C ATOM 369 CG GLN A 25 -13.547 -0.087 -3.176 1.00 0.00 C ATOM 370 CD GLN A 25 -14.003 0.333 -4.574 1.00 0.00 C ATOM 371 OE1 GLN A 25 -15.029 0.967 -4.757 1.00 0.00 O ATOM 372 NE2 GLN A 25 -13.185 -0.055 -5.549 1.00 0.00 N ATOM 0 H GLN A 25 -11.123 1.173 -2.065 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.035 2.417 -3.768 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.238 0.782 -1.225 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.646 1.401 -2.065 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.528 -0.471 -3.222 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -14.178 -0.898 -2.812 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.341 -0.584 -5.327 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.401 0.176 -6.519 1.00 0.00 H new ATOM 381 N SER A 26 -12.820 3.539 -0.666 1.00 0.00 N ATOM 382 CA SER A 26 -13.090 4.689 0.181 1.00 0.00 C ATOM 383 C SER A 26 -12.626 5.971 -0.514 1.00 0.00 C ATOM 384 O SER A 26 -11.645 5.959 -1.256 1.00 0.00 O ATOM 385 CB SER A 26 -12.403 4.544 1.540 1.00 0.00 C ATOM 386 OG SER A 26 -13.162 5.143 2.588 1.00 0.00 O ATOM 0 H SER A 26 -12.387 2.749 -0.188 1.00 0.00 H new ATOM 0 HA SER A 26 -14.165 4.744 0.351 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.253 3.487 1.760 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.416 5.004 1.498 1.00 0.00 H new ATOM 0 HG SER A 26 -12.999 4.662 3.426 1.00 0.00 H new ATOM 392 N GLU A 27 -13.353 7.046 -0.249 1.00 0.00 N ATOM 393 CA GLU A 27 -13.029 8.334 -0.839 1.00 0.00 C ATOM 394 C GLU A 27 -12.104 9.125 0.088 1.00 0.00 C ATOM 395 O GLU A 27 -10.991 9.482 -0.296 1.00 0.00 O ATOM 396 CB GLU A 27 -14.298 9.127 -1.155 1.00 0.00 C ATOM 397 CG GLU A 27 -14.370 9.475 -2.644 1.00 0.00 C ATOM 398 CD GLU A 27 -13.330 10.536 -3.010 1.00 0.00 C ATOM 399 OE1 GLU A 27 -12.239 10.494 -2.402 1.00 0.00 O ATOM 400 OE2 GLU A 27 -13.650 11.364 -3.890 1.00 0.00 O ATOM 0 H GLU A 27 -14.166 7.052 0.367 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.506 8.160 -1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.175 8.545 -0.871 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.317 10.042 -0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.204 8.577 -3.239 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.368 9.839 -2.888 1.00 0.00 H new ATOM 407 N GLU A 28 -12.599 9.376 1.291 1.00 0.00 N ATOM 408 CA GLU A 28 -11.831 10.118 2.276 1.00 0.00 C ATOM 409 C GLU A 28 -10.400 9.580 2.349 1.00 0.00 C ATOM 410 O GLU A 28 -9.442 10.351 2.325 1.00 0.00 O ATOM 411 CB GLU A 28 -12.506 10.069 3.649 1.00 0.00 C ATOM 412 CG GLU A 28 -12.572 11.462 4.278 1.00 0.00 C ATOM 413 CD GLU A 28 -14.014 11.841 4.621 1.00 0.00 C ATOM 414 OE1 GLU A 28 -14.918 11.311 3.939 1.00 0.00 O ATOM 415 OE2 GLU A 28 -14.180 12.651 5.558 1.00 0.00 O ATOM 0 H GLU A 28 -13.523 9.079 1.606 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.791 11.162 1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.513 9.663 3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.955 9.396 4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.961 11.487 5.180 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.153 12.196 3.590 1.00 0.00 H new ATOM 422 N LYS A 29 -10.301 8.262 2.438 1.00 0.00 N ATOM 423 CA LYS A 29 -9.004 7.613 2.514 1.00 0.00 C ATOM 424 C LYS A 29 -8.048 8.274 1.520 1.00 0.00 C ATOM 425 O LYS A 29 -8.368 8.408 0.340 1.00 0.00 O ATOM 426 CB LYS A 29 -9.148 6.102 2.316 1.00 0.00 C ATOM 427 CG LYS A 29 -9.964 5.476 3.449 1.00 0.00 C ATOM 428 CD LYS A 29 -9.788 3.957 3.478 1.00 0.00 C ATOM 429 CE LYS A 29 -9.576 3.456 4.908 1.00 0.00 C ATOM 430 NZ LYS A 29 -9.725 1.985 4.969 1.00 0.00 N ATOM 0 H LYS A 29 -11.098 7.626 2.459 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.572 7.742 3.506 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.632 5.901 1.360 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.161 5.641 2.276 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.652 5.900 4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.018 5.721 3.321 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.667 3.477 3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.936 3.674 2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.583 3.742 5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.296 3.928 5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.578 1.661 5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.681 1.720 4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.021 1.539 4.347 1.00 0.00 H new ATOM 444 N ARG A 30 -6.892 8.671 2.034 1.00 0.00 N ATOM 445 CA ARG A 30 -5.887 9.315 1.206 1.00 0.00 C ATOM 446 C ARG A 30 -4.614 8.469 1.162 1.00 0.00 C ATOM 447 O ARG A 30 -3.941 8.407 0.134 1.00 0.00 O ATOM 448 CB ARG A 30 -5.547 10.709 1.738 1.00 0.00 C ATOM 449 CG ARG A 30 -6.625 11.723 1.350 1.00 0.00 C ATOM 450 CD ARG A 30 -6.588 12.015 -0.151 1.00 0.00 C ATOM 451 NE ARG A 30 -7.560 13.081 -0.483 1.00 0.00 N ATOM 452 CZ ARG A 30 -7.728 13.589 -1.712 1.00 0.00 C ATOM 453 NH1 ARG A 30 -6.989 13.132 -2.732 1.00 0.00 N ATOM 454 NH2 ARG A 30 -8.634 14.554 -1.920 1.00 0.00 N ATOM 0 H ARG A 30 -6.630 8.559 3.013 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.297 9.412 0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.450 10.674 2.823 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.583 11.028 1.342 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.607 11.338 1.625 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.477 12.648 1.908 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.584 12.322 -0.446 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.822 11.110 -0.712 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.138 13.452 0.271 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.299 12.398 -2.573 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.117 13.518 -3.667 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.196 14.902 -1.143 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.762 14.941 -2.855 1.00 0.00 H new ATOM 468 N SER A 31 -4.321 7.837 2.289 1.00 0.00 N ATOM 469 CA SER A 31 -3.140 6.997 2.392 1.00 0.00 C ATOM 470 C SER A 31 -3.421 5.812 3.318 1.00 0.00 C ATOM 471 O SER A 31 -3.909 5.992 4.432 1.00 0.00 O ATOM 472 CB SER A 31 -1.939 7.795 2.900 1.00 0.00 C ATOM 473 OG SER A 31 -2.317 9.084 3.376 1.00 0.00 O ATOM 0 H SER A 31 -4.882 7.890 3.139 1.00 0.00 H new ATOM 0 HA SER A 31 -2.898 6.623 1.397 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.449 7.242 3.701 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.210 7.905 2.097 1.00 0.00 H new ATOM 0 HG SER A 31 -1.522 9.562 3.693 1.00 0.00 H new ATOM 479 N LEU A 32 -3.099 4.626 2.822 1.00 0.00 N ATOM 480 CA LEU A 32 -3.310 3.411 3.591 1.00 0.00 C ATOM 481 C LEU A 32 -2.007 3.026 4.296 1.00 0.00 C ATOM 482 O LEU A 32 -0.925 3.430 3.872 1.00 0.00 O ATOM 483 CB LEU A 32 -3.877 2.304 2.700 1.00 0.00 C ATOM 484 CG LEU A 32 -4.350 1.040 3.420 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.607 1.318 4.247 1.00 0.00 C ATOM 486 CD2 LEU A 32 -4.557 -0.109 2.431 1.00 0.00 C ATOM 0 H LEU A 32 -2.694 4.481 1.897 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.057 3.577 4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.716 2.712 2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.113 2.021 1.975 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.570 0.730 4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.922 0.403 4.749 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.391 2.084 4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.405 1.665 3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.893 -0.996 2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.309 0.176 1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.617 -0.327 1.924 1.00 0.00 H new ATOM 498 N GLU A 33 -2.155 2.251 5.360 1.00 0.00 N ATOM 499 CA GLU A 33 -1.003 1.807 6.128 1.00 0.00 C ATOM 500 C GLU A 33 -1.073 0.297 6.365 1.00 0.00 C ATOM 501 O GLU A 33 -2.088 -0.215 6.835 1.00 0.00 O ATOM 502 CB GLU A 33 -0.902 2.566 7.453 1.00 0.00 C ATOM 503 CG GLU A 33 -0.713 4.065 7.213 1.00 0.00 C ATOM 504 CD GLU A 33 -0.125 4.748 8.449 1.00 0.00 C ATOM 505 OE1 GLU A 33 -0.708 4.552 9.537 1.00 0.00 O ATOM 506 OE2 GLU A 33 0.894 5.452 8.278 1.00 0.00 O ATOM 0 H GLU A 33 -3.054 1.919 5.709 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.102 2.023 5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.804 2.399 8.041 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.066 2.179 8.035 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.053 4.220 6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.671 4.521 6.963 1.00 0.00 H new ATOM 513 N LEU A 34 0.019 -0.374 6.029 1.00 0.00 N ATOM 514 CA LEU A 34 0.094 -1.815 6.199 1.00 0.00 C ATOM 515 C LEU A 34 0.970 -2.135 7.412 1.00 0.00 C ATOM 516 O LEU A 34 1.680 -1.267 7.917 1.00 0.00 O ATOM 517 CB LEU A 34 0.565 -2.483 4.906 1.00 0.00 C ATOM 518 CG LEU A 34 -0.500 -2.678 3.825 1.00 0.00 C ATOM 519 CD1 LEU A 34 0.090 -3.363 2.591 1.00 0.00 C ATOM 520 CD2 LEU A 34 -1.710 -3.434 4.377 1.00 0.00 C ATOM 0 H LEU A 34 0.859 0.054 5.640 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.894 -2.228 6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.375 -1.886 4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.984 -3.458 5.156 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.851 -1.695 3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.688 -3.490 1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.893 -2.749 2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.486 -4.339 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.452 -3.559 3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.394 -4.413 4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.147 -2.869 5.200 1.00 0.00 H new ATOM 532 N ASP A 35 0.892 -3.385 7.844 1.00 0.00 N ATOM 533 CA ASP A 35 1.669 -3.832 8.988 1.00 0.00 C ATOM 534 C ASP A 35 3.145 -3.913 8.596 1.00 0.00 C ATOM 535 O ASP A 35 3.472 -4.063 7.420 1.00 0.00 O ATOM 536 CB ASP A 35 1.225 -5.222 9.447 1.00 0.00 C ATOM 537 CG ASP A 35 2.358 -6.150 9.889 1.00 0.00 C ATOM 538 OD1 ASP A 35 3.199 -6.471 9.022 1.00 0.00 O ATOM 539 OD2 ASP A 35 2.357 -6.517 11.084 1.00 0.00 O ATOM 0 H ASP A 35 0.302 -4.103 7.422 1.00 0.00 H new ATOM 0 HA ASP A 35 1.516 -3.119 9.798 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.525 -5.108 10.275 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.681 -5.700 8.633 1.00 0.00 H new ATOM 544 N PRO A 36 4.021 -3.806 9.631 1.00 0.00 N ATOM 545 CA PRO A 36 5.456 -3.866 9.406 1.00 0.00 C ATOM 546 C PRO A 36 5.908 -5.301 9.126 1.00 0.00 C ATOM 547 O PRO A 36 5.777 -6.175 9.981 1.00 0.00 O ATOM 548 CB PRO A 36 6.076 -3.284 10.666 1.00 0.00 C ATOM 549 CG PRO A 36 4.994 -3.350 11.732 1.00 0.00 C ATOM 550 CD PRO A 36 3.671 -3.627 11.037 1.00 0.00 C ATOM 0 HA PRO A 36 5.768 -3.302 8.527 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.956 -3.853 10.967 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.401 -2.257 10.503 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.217 -4.135 12.454 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.946 -2.412 12.285 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.190 -4.517 11.442 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.973 -2.800 11.169 1.00 0.00 H new ATOM 558 N CYS A 37 6.430 -5.498 7.924 1.00 0.00 N ATOM 559 CA CYS A 37 6.902 -6.812 7.520 1.00 0.00 C ATOM 560 C CYS A 37 8.377 -6.932 7.906 1.00 0.00 C ATOM 561 O CYS A 37 8.978 -5.971 8.385 1.00 0.00 O ATOM 562 CB CYS A 37 6.681 -7.057 6.026 1.00 0.00 C ATOM 563 SG CYS A 37 4.925 -7.462 5.711 1.00 0.00 S ATOM 0 H CYS A 37 6.536 -4.770 7.217 1.00 0.00 H new ATOM 0 HA CYS A 37 6.329 -7.582 8.036 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.966 -6.172 5.458 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.318 -7.873 5.685 1.00 0.00 H new ATOM 0 HG CYS A 37 4.644 -7.233 4.463 1.00 0.00 H new ATOM 569 N THR A 38 8.920 -8.120 7.684 1.00 0.00 N ATOM 570 CA THR A 38 10.313 -8.378 8.003 1.00 0.00 C ATOM 571 C THR A 38 11.206 -8.035 6.809 1.00 0.00 C ATOM 572 O THR A 38 12.394 -7.764 6.975 1.00 0.00 O ATOM 573 CB THR A 38 10.434 -9.836 8.452 1.00 0.00 C ATOM 574 OG1 THR A 38 11.839 -10.066 8.512 1.00 0.00 O ATOM 575 CG2 THR A 38 9.940 -10.819 7.388 1.00 0.00 C ATOM 0 H THR A 38 8.419 -8.915 7.287 1.00 0.00 H new ATOM 0 HA THR A 38 10.655 -7.742 8.819 1.00 0.00 H new ATOM 0 HB THR A 38 9.867 -9.981 9.371 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.008 -10.988 8.797 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.048 -11.839 7.757 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.891 -10.621 7.169 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.529 -10.698 6.479 1.00 0.00 H new ATOM 583 N GLY A 39 10.599 -8.057 5.631 1.00 0.00 N ATOM 584 CA GLY A 39 11.324 -7.751 4.409 1.00 0.00 C ATOM 585 C GLY A 39 10.731 -8.504 3.217 1.00 0.00 C ATOM 586 O GLY A 39 10.057 -7.910 2.376 1.00 0.00 O ATOM 0 H GLY A 39 9.613 -8.282 5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.289 -6.678 4.220 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.374 -8.020 4.528 1.00 0.00 H new ATOM 590 N PHE A 40 11.003 -9.800 3.181 1.00 0.00 N ATOM 591 CA PHE A 40 10.505 -10.640 2.106 1.00 0.00 C ATOM 592 C PHE A 40 9.093 -10.222 1.692 1.00 0.00 C ATOM 593 O PHE A 40 8.871 -9.813 0.553 1.00 0.00 O ATOM 594 CB PHE A 40 10.463 -12.073 2.640 1.00 0.00 C ATOM 595 CG PHE A 40 10.202 -13.131 1.565 1.00 0.00 C ATOM 596 CD1 PHE A 40 11.121 -13.347 0.587 1.00 0.00 C ATOM 597 CD2 PHE A 40 9.050 -13.854 1.589 1.00 0.00 C ATOM 598 CE1 PHE A 40 10.879 -14.329 -0.411 1.00 0.00 C ATOM 599 CE2 PHE A 40 8.808 -14.835 0.591 1.00 0.00 C ATOM 600 CZ PHE A 40 9.727 -15.052 -0.387 1.00 0.00 C ATOM 0 H PHE A 40 11.562 -10.289 3.880 1.00 0.00 H new ATOM 0 HA PHE A 40 11.152 -10.549 1.234 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.411 -12.295 3.131 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.686 -12.144 3.401 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.035 -12.772 0.569 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.320 -13.682 2.366 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.609 -14.501 -1.188 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.893 -15.409 0.609 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.542 -15.799 -1.145 1.00 0.00 H new ATOM 610 N GLN A 41 8.174 -10.337 2.640 1.00 0.00 N ATOM 611 CA GLN A 41 6.790 -9.976 2.389 1.00 0.00 C ATOM 612 C GLN A 41 6.718 -8.675 1.586 1.00 0.00 C ATOM 613 O GLN A 41 6.058 -8.618 0.549 1.00 0.00 O ATOM 614 CB GLN A 41 6.008 -9.855 3.698 1.00 0.00 C ATOM 615 CG GLN A 41 5.403 -11.201 4.102 1.00 0.00 C ATOM 616 CD GLN A 41 5.814 -11.582 5.526 1.00 0.00 C ATOM 617 OE1 GLN A 41 6.772 -12.303 5.751 1.00 0.00 O ATOM 618 NE2 GLN A 41 5.038 -11.060 6.471 1.00 0.00 N ATOM 0 H GLN A 41 8.362 -10.675 3.584 1.00 0.00 H new ATOM 0 HA GLN A 41 6.329 -10.770 1.801 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.668 -9.497 4.488 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.215 -9.115 3.585 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.316 -11.150 4.035 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.730 -11.974 3.406 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.251 -10.464 6.213 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.229 -11.256 7.454 1.00 0.00 H new ATOM 627 N ARG A 42 7.405 -7.664 2.095 1.00 0.00 N ATOM 628 CA ARG A 42 7.428 -6.368 1.438 1.00 0.00 C ATOM 629 C ARG A 42 7.665 -6.538 -0.064 1.00 0.00 C ATOM 630 O ARG A 42 6.926 -5.987 -0.878 1.00 0.00 O ATOM 631 CB ARG A 42 8.523 -5.474 2.022 1.00 0.00 C ATOM 632 CG ARG A 42 8.369 -5.336 3.538 1.00 0.00 C ATOM 633 CD ARG A 42 9.241 -4.201 4.077 1.00 0.00 C ATOM 634 NE ARG A 42 9.991 -4.660 5.268 1.00 0.00 N ATOM 635 CZ ARG A 42 10.818 -3.884 5.981 1.00 0.00 C ATOM 636 NH1 ARG A 42 11.006 -2.605 5.628 1.00 0.00 N ATOM 637 NH2 ARG A 42 11.457 -4.386 7.046 1.00 0.00 N ATOM 0 H ARG A 42 7.950 -7.716 2.955 1.00 0.00 H new ATOM 0 HA ARG A 42 6.461 -5.895 1.605 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.502 -5.893 1.789 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.479 -4.489 1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.325 -5.146 3.785 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.645 -6.273 4.022 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.936 -3.868 3.306 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.618 -3.345 4.337 1.00 0.00 H new ATOM 0 HE ARG A 42 9.870 -5.628 5.564 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.520 -2.223 4.817 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.636 -2.013 6.170 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.314 -5.360 7.314 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.087 -3.795 7.588 1.00 0.00 H new ATOM 651 N LYS A 43 8.698 -7.304 -0.384 1.00 0.00 N ATOM 652 CA LYS A 43 9.041 -7.554 -1.774 1.00 0.00 C ATOM 653 C LYS A 43 7.848 -8.198 -2.482 1.00 0.00 C ATOM 654 O LYS A 43 7.663 -8.017 -3.685 1.00 0.00 O ATOM 655 CB LYS A 43 10.329 -8.375 -1.868 1.00 0.00 C ATOM 656 CG LYS A 43 10.019 -9.863 -2.044 1.00 0.00 C ATOM 657 CD LYS A 43 11.088 -10.728 -1.373 1.00 0.00 C ATOM 658 CE LYS A 43 12.054 -11.306 -2.409 1.00 0.00 C ATOM 659 NZ LYS A 43 13.198 -11.964 -1.740 1.00 0.00 N ATOM 0 H LYS A 43 9.308 -7.759 0.295 1.00 0.00 H new ATOM 0 HA LYS A 43 9.249 -6.617 -2.290 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.928 -8.023 -2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.925 -8.228 -0.967 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.042 -10.088 -1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.965 -10.104 -3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.641 -10.131 -0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.612 -11.539 -0.822 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.532 -12.025 -3.041 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.415 -10.511 -3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.818 -12.395 -2.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.735 -11.258 -1.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.847 -12.702 -1.097 1.00 0.00 H new ATOM 673 N LEU A 44 7.068 -8.936 -1.706 1.00 0.00 N ATOM 674 CA LEU A 44 5.897 -9.608 -2.243 1.00 0.00 C ATOM 675 C LEU A 44 4.824 -8.569 -2.572 1.00 0.00 C ATOM 676 O LEU A 44 4.255 -8.583 -3.662 1.00 0.00 O ATOM 677 CB LEU A 44 5.421 -10.703 -1.286 1.00 0.00 C ATOM 678 CG LEU A 44 6.501 -11.650 -0.760 1.00 0.00 C ATOM 679 CD1 LEU A 44 5.929 -12.604 0.291 1.00 0.00 C ATOM 680 CD2 LEU A 44 7.179 -12.401 -1.908 1.00 0.00 C ATOM 0 H LEU A 44 7.224 -9.083 -0.709 1.00 0.00 H new ATOM 0 HA LEU A 44 6.144 -10.117 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.936 -10.227 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.661 -11.297 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 44 7.269 -11.053 -0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.717 -13.266 0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.532 -12.028 1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.130 -13.198 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.942 -13.067 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.435 -12.986 -2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.643 -11.686 -2.587 1.00 0.00 H new ATOM 692 N ILE A 45 4.579 -7.693 -1.609 1.00 0.00 N ATOM 693 CA ILE A 45 3.584 -6.649 -1.782 1.00 0.00 C ATOM 694 C ILE A 45 3.952 -5.796 -2.997 1.00 0.00 C ATOM 695 O ILE A 45 3.110 -5.533 -3.855 1.00 0.00 O ATOM 696 CB ILE A 45 3.422 -5.843 -0.491 1.00 0.00 C ATOM 697 CG1 ILE A 45 2.887 -6.722 0.641 1.00 0.00 C ATOM 698 CG2 ILE A 45 2.547 -4.609 -0.721 1.00 0.00 C ATOM 699 CD1 ILE A 45 2.852 -5.953 1.963 1.00 0.00 C ATOM 0 H ILE A 45 5.053 -7.685 -0.706 1.00 0.00 H new ATOM 0 HA ILE A 45 2.606 -7.085 -1.983 1.00 0.00 H new ATOM 0 HB ILE A 45 4.406 -5.488 -0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.885 -7.071 0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.515 -7.606 0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.448 -4.054 0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.008 -3.971 -1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.561 -4.921 -1.064 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.468 -6.601 2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.860 -5.627 2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.204 -5.083 1.861 1.00 0.00 H new ATOM 711 N TYR A 46 5.212 -5.386 -3.033 1.00 0.00 N ATOM 712 CA TYR A 46 5.702 -4.568 -4.129 1.00 0.00 C ATOM 713 C TYR A 46 5.631 -5.328 -5.455 1.00 0.00 C ATOM 714 O TYR A 46 5.344 -4.741 -6.497 1.00 0.00 O ATOM 715 CB TYR A 46 7.167 -4.265 -3.807 1.00 0.00 C ATOM 716 CG TYR A 46 7.359 -3.163 -2.763 1.00 0.00 C ATOM 717 CD1 TYR A 46 6.872 -1.894 -3.001 1.00 0.00 C ATOM 718 CD2 TYR A 46 8.020 -3.439 -1.583 1.00 0.00 C ATOM 719 CE1 TYR A 46 7.053 -0.857 -2.018 1.00 0.00 C ATOM 720 CE2 TYR A 46 8.201 -2.402 -0.600 1.00 0.00 C ATOM 721 CZ TYR A 46 7.708 -1.162 -0.866 1.00 0.00 C ATOM 722 OH TYR A 46 7.879 -0.183 0.062 1.00 0.00 O ATOM 0 H TYR A 46 5.908 -5.605 -2.320 1.00 0.00 H new ATOM 0 HA TYR A 46 5.101 -3.665 -4.232 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.646 -5.177 -3.450 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.678 -3.975 -4.725 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.355 -1.678 -3.924 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.401 -4.432 -1.397 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.677 0.140 -2.192 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.716 -2.604 0.327 1.00 0.00 H new ATOM 0 HH TYR A 46 7.478 0.650 -0.263 1.00 0.00 H new ATOM 732 N GLN A 47 5.897 -6.624 -5.373 1.00 0.00 N ATOM 733 CA GLN A 47 5.866 -7.470 -6.553 1.00 0.00 C ATOM 734 C GLN A 47 4.460 -7.492 -7.154 1.00 0.00 C ATOM 735 O GLN A 47 4.286 -7.237 -8.345 1.00 0.00 O ATOM 736 CB GLN A 47 6.345 -8.886 -6.225 1.00 0.00 C ATOM 737 CG GLN A 47 5.472 -9.934 -6.919 1.00 0.00 C ATOM 738 CD GLN A 47 6.181 -11.289 -6.973 1.00 0.00 C ATOM 739 OE1 GLN A 47 6.981 -11.565 -7.853 1.00 0.00 O ATOM 740 NE2 GLN A 47 5.845 -12.116 -5.988 1.00 0.00 N ATOM 0 H GLN A 47 6.135 -7.108 -4.507 1.00 0.00 H new ATOM 0 HA GLN A 47 6.549 -7.053 -7.293 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.382 -9.005 -6.539 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.319 -9.042 -5.147 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.526 -10.035 -6.386 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.235 -9.603 -7.930 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.169 -11.822 -5.284 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.264 -13.045 -5.937 1.00 0.00 H new ATOM 749 N THR A 48 3.492 -7.800 -6.304 1.00 0.00 N ATOM 750 CA THR A 48 2.106 -7.859 -6.736 1.00 0.00 C ATOM 751 C THR A 48 1.676 -6.517 -7.331 1.00 0.00 C ATOM 752 O THR A 48 1.353 -6.433 -8.515 1.00 0.00 O ATOM 753 CB THR A 48 1.256 -8.294 -5.541 1.00 0.00 C ATOM 754 OG1 THR A 48 1.223 -9.716 -5.637 1.00 0.00 O ATOM 755 CG2 THR A 48 -0.210 -7.878 -5.683 1.00 0.00 C ATOM 0 H THR A 48 3.640 -8.012 -5.317 1.00 0.00 H new ATOM 0 HA THR A 48 1.971 -8.591 -7.532 1.00 0.00 H new ATOM 0 HB THR A 48 1.669 -7.866 -4.628 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.321 -10.006 -5.888 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.769 -8.211 -4.809 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.274 -6.793 -5.763 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.632 -8.334 -6.579 1.00 0.00 H new ATOM 763 N LEU A 49 1.685 -5.499 -6.483 1.00 0.00 N ATOM 764 CA LEU A 49 1.300 -4.165 -6.910 1.00 0.00 C ATOM 765 C LEU A 49 2.049 -3.809 -8.196 1.00 0.00 C ATOM 766 O LEU A 49 1.594 -2.971 -8.972 1.00 0.00 O ATOM 767 CB LEU A 49 1.510 -3.158 -5.777 1.00 0.00 C ATOM 768 CG LEU A 49 0.808 -3.479 -4.456 1.00 0.00 C ATOM 769 CD1 LEU A 49 1.280 -2.541 -3.343 1.00 0.00 C ATOM 770 CD2 LEU A 49 -0.712 -3.453 -4.622 1.00 0.00 C ATOM 0 H LEU A 49 1.953 -5.572 -5.502 1.00 0.00 H new ATOM 0 HA LEU A 49 0.235 -4.132 -7.142 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.580 -3.074 -5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.169 -2.181 -6.118 1.00 0.00 H new ATOM 0 HG LEU A 49 1.081 -4.492 -4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.766 -2.790 -2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.355 -2.654 -3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.056 -1.510 -3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.186 -3.684 -3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.025 -2.462 -4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.010 -4.194 -5.364 1.00 0.00 H new ATOM 782 N SER A 50 3.185 -4.465 -8.381 1.00 0.00 N ATOM 783 CA SER A 50 4.002 -4.229 -9.559 1.00 0.00 C ATOM 784 C SER A 50 3.162 -4.416 -10.824 1.00 0.00 C ATOM 785 O SER A 50 3.296 -3.653 -11.780 1.00 0.00 O ATOM 786 CB SER A 50 5.215 -5.162 -9.585 1.00 0.00 C ATOM 787 OG SER A 50 6.331 -4.568 -10.241 1.00 0.00 O ATOM 0 H SER A 50 3.559 -5.160 -7.735 1.00 0.00 H new ATOM 0 HA SER A 50 4.368 -3.203 -9.521 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.492 -5.425 -8.564 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.948 -6.090 -10.092 1.00 0.00 H new ATOM 0 HG SER A 50 7.085 -5.194 -10.235 1.00 0.00 H new ATOM 793 N TRP A 51 2.316 -5.434 -10.789 1.00 0.00 N ATOM 794 CA TRP A 51 1.454 -5.731 -11.921 1.00 0.00 C ATOM 795 C TRP A 51 0.011 -5.437 -11.507 1.00 0.00 C ATOM 796 O TRP A 51 -0.806 -5.035 -12.333 1.00 0.00 O ATOM 797 CB TRP A 51 1.657 -7.169 -12.403 1.00 0.00 C ATOM 798 CG TRP A 51 1.547 -8.218 -11.294 1.00 0.00 C ATOM 799 CD1 TRP A 51 2.541 -8.814 -10.621 1.00 0.00 C ATOM 800 CD2 TRP A 51 0.330 -8.773 -10.753 1.00 0.00 C ATOM 801 NE1 TRP A 51 2.055 -9.710 -9.691 1.00 0.00 N ATOM 802 CE2 TRP A 51 0.668 -9.684 -9.773 1.00 0.00 C ATOM 803 CE3 TRP A 51 -1.013 -8.514 -11.081 1.00 0.00 C ATOM 804 CZ2 TRP A 51 -0.280 -10.409 -9.041 1.00 0.00 C ATOM 805 CZ3 TRP A 51 -1.948 -9.247 -10.341 1.00 0.00 C ATOM 806 CH2 TRP A 51 -1.624 -10.168 -9.351 1.00 0.00 C ATOM 0 H TRP A 51 2.208 -6.064 -9.994 1.00 0.00 H new ATOM 0 HA TRP A 51 1.707 -5.100 -12.773 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.919 -7.391 -13.174 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.639 -7.250 -12.870 1.00 0.00 H new ATOM 0 HD1 TRP A 51 3.590 -8.618 -10.786 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.612 -10.286 -9.059 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -1.300 -7.805 -11.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 0.010 -11.116 -8.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.994 -9.086 -10.554 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -2.405 -10.695 -8.824 1.00 0.00 H new ATOM 817 N LYS A 52 -0.258 -5.649 -10.227 1.00 0.00 N ATOM 818 CA LYS A 52 -1.589 -5.412 -9.693 1.00 0.00 C ATOM 819 C LYS A 52 -1.936 -3.930 -9.840 1.00 0.00 C ATOM 820 O LYS A 52 -3.042 -3.586 -10.254 1.00 0.00 O ATOM 821 CB LYS A 52 -1.688 -5.927 -8.255 1.00 0.00 C ATOM 822 CG LYS A 52 -2.399 -7.281 -8.206 1.00 0.00 C ATOM 823 CD LYS A 52 -3.247 -7.409 -6.939 1.00 0.00 C ATOM 824 CE LYS A 52 -3.063 -8.783 -6.292 1.00 0.00 C ATOM 825 NZ LYS A 52 -4.284 -9.603 -6.458 1.00 0.00 N ATOM 0 H LYS A 52 0.423 -5.982 -9.544 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.333 -5.972 -10.260 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.689 -6.021 -7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.229 -5.206 -7.643 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.033 -7.395 -9.085 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.663 -8.084 -8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.968 -6.629 -6.230 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.298 -7.256 -7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.212 -9.293 -6.743 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.839 -8.665 -5.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.141 -10.532 -6.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.089 -9.123 -6.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.481 -9.731 -7.471 1.00 0.00 H new ATOM 839 N TYR A 53 -0.971 -3.091 -9.494 1.00 0.00 N ATOM 840 CA TYR A 53 -1.161 -1.653 -9.583 1.00 0.00 C ATOM 841 C TYR A 53 0.179 -0.932 -9.746 1.00 0.00 C ATOM 842 O TYR A 53 0.731 -0.414 -8.776 1.00 0.00 O ATOM 843 CB TYR A 53 -1.797 -1.229 -8.257 1.00 0.00 C ATOM 844 CG TYR A 53 -3.083 -1.983 -7.915 1.00 0.00 C ATOM 845 CD1 TYR A 53 -4.290 -1.559 -8.432 1.00 0.00 C ATOM 846 CD2 TYR A 53 -3.036 -3.088 -7.089 1.00 0.00 C ATOM 847 CE1 TYR A 53 -5.501 -2.268 -8.109 1.00 0.00 C ATOM 848 CE2 TYR A 53 -4.247 -3.798 -6.767 1.00 0.00 C ATOM 849 CZ TYR A 53 -5.420 -3.353 -7.293 1.00 0.00 C ATOM 850 OH TYR A 53 -6.563 -4.023 -6.988 1.00 0.00 O ATOM 0 H TYR A 53 -0.055 -3.380 -9.151 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.780 -1.400 -10.444 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.075 -1.380 -7.455 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.013 -0.161 -8.294 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.326 -0.695 -9.079 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.091 -3.420 -6.684 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.452 -1.945 -8.506 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.224 -4.664 -6.122 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.353 -4.776 -6.397 1.00 0.00 H new ATOM 860 N PRO A 54 0.676 -0.922 -11.012 1.00 0.00 N ATOM 861 CA PRO A 54 1.940 -0.273 -11.314 1.00 0.00 C ATOM 862 C PRO A 54 1.786 1.249 -11.325 1.00 0.00 C ATOM 863 O PRO A 54 2.694 1.971 -10.916 1.00 0.00 O ATOM 864 CB PRO A 54 2.359 -0.838 -12.662 1.00 0.00 C ATOM 865 CG PRO A 54 1.100 -1.425 -13.278 1.00 0.00 C ATOM 866 CD PRO A 54 0.049 -1.526 -12.184 1.00 0.00 C ATOM 0 HA PRO A 54 2.704 -0.467 -10.561 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.778 -0.059 -13.299 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.128 -1.601 -12.543 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.744 -0.794 -14.092 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.305 -2.408 -13.702 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.863 -0.998 -12.461 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.228 -2.563 -11.995 1.00 0.00 H new ATOM 874 N LYS A 55 0.630 1.692 -11.798 1.00 0.00 N ATOM 875 CA LYS A 55 0.346 3.115 -11.868 1.00 0.00 C ATOM 876 C LYS A 55 -1.078 3.371 -11.370 1.00 0.00 C ATOM 877 O LYS A 55 -2.047 3.039 -12.052 1.00 0.00 O ATOM 878 CB LYS A 55 0.609 3.645 -13.278 1.00 0.00 C ATOM 879 CG LYS A 55 0.013 2.713 -14.335 1.00 0.00 C ATOM 880 CD LYS A 55 -0.638 3.511 -15.466 1.00 0.00 C ATOM 881 CE LYS A 55 -0.050 3.119 -16.823 1.00 0.00 C ATOM 882 NZ LYS A 55 1.047 4.039 -17.198 1.00 0.00 N ATOM 0 H LYS A 55 -0.121 1.090 -12.136 1.00 0.00 H new ATOM 0 HA LYS A 55 1.018 3.670 -11.214 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.178 4.641 -13.382 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.683 3.743 -13.439 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.795 2.071 -14.741 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.727 2.060 -13.873 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.714 3.335 -15.467 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.489 4.577 -15.296 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.324 2.096 -16.782 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.829 3.144 -17.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.435 3.759 -18.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.680 5.010 -17.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.798 3.995 -16.480 1.00 0.00 H new ATOM 896 N GLY A 56 -1.160 3.959 -10.186 1.00 0.00 N ATOM 897 CA GLY A 56 -2.450 4.264 -9.589 1.00 0.00 C ATOM 898 C GLY A 56 -2.285 4.772 -8.156 1.00 0.00 C ATOM 899 O GLY A 56 -2.988 5.687 -7.733 1.00 0.00 O ATOM 0 H GLY A 56 -0.354 4.233 -9.623 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.963 5.016 -10.188 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.076 3.372 -9.592 1.00 0.00 H new ATOM 903 N ILE A 57 -1.350 4.155 -7.447 1.00 0.00 N ATOM 904 CA ILE A 57 -1.083 4.533 -6.070 1.00 0.00 C ATOM 905 C ILE A 57 0.418 4.770 -5.892 1.00 0.00 C ATOM 906 O ILE A 57 1.181 4.686 -6.853 1.00 0.00 O ATOM 907 CB ILE A 57 -1.660 3.493 -5.108 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.020 2.121 -5.335 1.00 0.00 C ATOM 909 CG2 ILE A 57 -3.185 3.438 -5.210 1.00 0.00 C ATOM 910 CD1 ILE A 57 -1.811 1.311 -6.363 1.00 0.00 C ATOM 0 H ILE A 57 -0.768 3.396 -7.801 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.584 5.470 -5.828 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.417 3.797 -4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.007 2.247 -5.678 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.976 1.576 -4.392 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.569 2.691 -4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.602 4.414 -4.960 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.472 3.170 -6.227 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.335 0.341 -6.506 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.831 1.166 -6.006 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.832 1.848 -7.311 1.00 0.00 H new ATOM 922 N HIS A 58 0.796 5.060 -4.656 1.00 0.00 N ATOM 923 CA HIS A 58 2.192 5.310 -4.340 1.00 0.00 C ATOM 924 C HIS A 58 2.558 4.601 -3.035 1.00 0.00 C ATOM 925 O HIS A 58 2.037 4.941 -1.973 1.00 0.00 O ATOM 926 CB HIS A 58 2.481 6.812 -4.301 1.00 0.00 C ATOM 927 CG HIS A 58 3.701 7.182 -3.493 1.00 0.00 C ATOM 928 ND1 HIS A 58 4.944 7.390 -4.065 1.00 0.00 N ATOM 929 CD2 HIS A 58 3.857 7.379 -2.152 1.00 0.00 C ATOM 930 CE1 HIS A 58 5.802 7.698 -3.103 1.00 0.00 C ATOM 931 NE2 HIS A 58 5.126 7.690 -1.918 1.00 0.00 N ATOM 0 H HIS A 58 0.160 5.127 -3.861 1.00 0.00 H new ATOM 0 HA HIS A 58 2.825 4.899 -5.126 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.610 7.173 -5.321 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.614 7.328 -3.888 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.080 7.296 -1.407 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.851 7.917 -3.234 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.529 7.890 -1.003 1.00 0.00 H new ATOM 939 N VAL A 59 3.450 3.629 -3.155 1.00 0.00 N ATOM 940 CA VAL A 59 3.891 2.870 -1.998 1.00 0.00 C ATOM 941 C VAL A 59 5.157 3.510 -1.425 1.00 0.00 C ATOM 942 O VAL A 59 6.062 3.879 -2.172 1.00 0.00 O ATOM 943 CB VAL A 59 4.084 1.401 -2.378 1.00 0.00 C ATOM 944 CG1 VAL A 59 4.333 0.541 -1.137 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.886 0.879 -3.175 1.00 0.00 C ATOM 0 H VAL A 59 3.880 3.350 -4.037 1.00 0.00 H new ATOM 0 HA VAL A 59 3.133 2.893 -1.216 1.00 0.00 H new ATOM 0 HB VAL A 59 4.966 1.333 -3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.467 -0.499 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.230 0.890 -0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.479 0.618 -0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.049 -0.168 -3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.982 0.968 -2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.773 1.464 -4.088 1.00 0.00 H new ATOM 955 N GLU A 60 5.180 3.622 -0.105 1.00 0.00 N ATOM 956 CA GLU A 60 6.320 4.211 0.576 1.00 0.00 C ATOM 957 C GLU A 60 6.572 3.497 1.905 1.00 0.00 C ATOM 958 O GLU A 60 5.629 3.088 2.582 1.00 0.00 O ATOM 959 CB GLU A 60 6.115 5.712 0.790 1.00 0.00 C ATOM 960 CG GLU A 60 4.733 5.998 1.381 1.00 0.00 C ATOM 961 CD GLU A 60 4.196 7.345 0.891 1.00 0.00 C ATOM 962 OE1 GLU A 60 5.039 8.206 0.559 1.00 0.00 O ATOM 963 OE2 GLU A 60 2.954 7.483 0.861 1.00 0.00 O ATOM 0 H GLU A 60 4.427 3.315 0.511 1.00 0.00 H new ATOM 0 HA GLU A 60 7.200 4.084 -0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.886 6.096 1.457 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.224 6.237 -0.159 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.042 5.203 1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.792 6.000 2.469 1.00 0.00 H new ATOM 970 N THR A 61 7.847 3.369 2.240 1.00 0.00 N ATOM 971 CA THR A 61 8.234 2.712 3.476 1.00 0.00 C ATOM 972 C THR A 61 8.475 3.746 4.578 1.00 0.00 C ATOM 973 O THR A 61 9.496 4.432 4.577 1.00 0.00 O ATOM 974 CB THR A 61 9.456 1.838 3.185 1.00 0.00 C ATOM 975 OG1 THR A 61 8.908 0.651 2.620 1.00 0.00 O ATOM 976 CG2 THR A 61 10.150 1.358 4.461 1.00 0.00 C ATOM 0 H THR A 61 8.626 3.710 1.676 1.00 0.00 H new ATOM 0 HA THR A 61 7.437 2.068 3.847 1.00 0.00 H new ATOM 0 HB THR A 61 10.165 2.398 2.575 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.693 0.807 1.677 1.00 0.00 H new ATOM 0 HG21 THR A 61 11.010 0.742 4.198 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.484 2.219 5.040 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.451 0.770 5.056 1.00 0.00 H new ATOM 1127 N HIS A 70 7.178 0.293 7.891 1.00 0.00 N ATOM 1128 CA HIS A 70 5.956 -0.340 7.425 1.00 0.00 C ATOM 1129 C HIS A 70 5.583 0.216 6.049 1.00 0.00 C ATOM 1130 O HIS A 70 5.782 1.399 5.778 1.00 0.00 O ATOM 1131 CB HIS A 70 4.834 -0.179 8.452 1.00 0.00 C ATOM 1132 CG HIS A 70 4.135 1.159 8.395 1.00 0.00 C ATOM 1133 ND1 HIS A 70 2.821 1.336 8.791 1.00 0.00 N ATOM 1134 CD2 HIS A 70 4.582 2.381 7.986 1.00 0.00 C ATOM 1135 CE1 HIS A 70 2.502 2.610 8.622 1.00 0.00 C ATOM 1136 NE2 HIS A 70 3.594 3.256 8.123 1.00 0.00 N ATOM 0 HA HIS A 70 6.118 -1.412 7.315 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.098 -0.968 8.298 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.247 -0.319 9.451 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.203 0.609 9.152 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.572 2.599 7.614 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.544 3.059 8.841 1.00 0.00 H new ATOM 1144 N ILE A 71 5.050 -0.665 5.215 1.00 0.00 N ATOM 1145 CA ILE A 71 4.648 -0.278 3.874 1.00 0.00 C ATOM 1146 C ILE A 71 3.403 0.607 3.955 1.00 0.00 C ATOM 1147 O ILE A 71 2.436 0.265 4.635 1.00 0.00 O ATOM 1148 CB ILE A 71 4.468 -1.514 2.990 1.00 0.00 C ATOM 1149 CG1 ILE A 71 5.819 -2.043 2.505 1.00 0.00 C ATOM 1150 CG2 ILE A 71 3.515 -1.224 1.829 1.00 0.00 C ATOM 1151 CD1 ILE A 71 5.684 -3.462 1.948 1.00 0.00 C ATOM 0 H ILE A 71 4.887 -1.646 5.443 1.00 0.00 H new ATOM 0 HA ILE A 71 5.430 0.314 3.398 1.00 0.00 H new ATOM 0 HB ILE A 71 4.012 -2.300 3.591 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.217 -1.382 1.735 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.533 -2.038 3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.405 -2.119 1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.541 -0.931 2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.919 -0.415 1.220 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.659 -3.814 1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.309 -4.125 2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.988 -3.459 1.109 1.00 0.00 H new ATOM 1163 N VAL A 72 3.465 1.728 3.251 1.00 0.00 N ATOM 1164 CA VAL A 72 2.355 2.665 3.235 1.00 0.00 C ATOM 1165 C VAL A 72 1.966 2.963 1.786 1.00 0.00 C ATOM 1166 O VAL A 72 2.831 3.100 0.923 1.00 0.00 O ATOM 1167 CB VAL A 72 2.719 3.922 4.027 1.00 0.00 C ATOM 1168 CG1 VAL A 72 1.866 5.114 3.587 1.00 0.00 C ATOM 1169 CG2 VAL A 72 2.587 3.680 5.532 1.00 0.00 C ATOM 0 H VAL A 72 4.267 2.008 2.687 1.00 0.00 H new ATOM 0 HA VAL A 72 1.482 2.231 3.723 1.00 0.00 H new ATOM 0 HB VAL A 72 3.762 4.160 3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.145 5.994 4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.032 5.309 2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.813 4.889 3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.852 4.589 6.071 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.559 3.405 5.767 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.256 2.873 5.831 1.00 0.00 H new ATOM 1179 N ILE A 73 0.663 3.055 1.563 1.00 0.00 N ATOM 1180 CA ILE A 73 0.149 3.334 0.233 1.00 0.00 C ATOM 1181 C ILE A 73 -0.517 4.712 0.227 1.00 0.00 C ATOM 1182 O ILE A 73 -0.991 5.180 1.261 1.00 0.00 O ATOM 1183 CB ILE A 73 -0.772 2.204 -0.234 1.00 0.00 C ATOM 1184 CG1 ILE A 73 0.000 0.890 -0.372 1.00 0.00 C ATOM 1185 CG2 ILE A 73 -1.493 2.584 -1.528 1.00 0.00 C ATOM 1186 CD1 ILE A 73 0.091 0.164 0.972 1.00 0.00 C ATOM 0 H ILE A 73 -0.052 2.941 2.281 1.00 0.00 H new ATOM 0 HA ILE A 73 0.964 3.370 -0.490 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.537 2.050 0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.493 0.249 -1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.003 1.091 -0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.141 1.764 -1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.094 3.478 -1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.759 2.781 -2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.644 -0.767 0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.606 0.798 1.694 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.913 -0.057 1.335 1.00 0.00 H new ATOM 1198 N SER A 74 -0.531 5.322 -0.949 1.00 0.00 N ATOM 1199 CA SER A 74 -1.131 6.636 -1.103 1.00 0.00 C ATOM 1200 C SER A 74 -1.964 6.684 -2.385 1.00 0.00 C ATOM 1201 O SER A 74 -1.793 5.849 -3.272 1.00 0.00 O ATOM 1202 CB SER A 74 -0.061 7.730 -1.123 1.00 0.00 C ATOM 1203 OG SER A 74 -0.321 8.712 -2.123 1.00 0.00 O ATOM 0 H SER A 74 -0.136 4.930 -1.804 1.00 0.00 H new ATOM 0 HA SER A 74 -1.782 6.818 -0.248 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.016 8.211 -0.146 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.915 7.279 -1.302 1.00 0.00 H new ATOM 0 HG SER A 74 0.383 9.394 -2.103 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.847 7.670 -2.442 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.707 7.838 -3.601 1.00 0.00 C ATOM 1211 C LYS A 75 -2.954 8.616 -4.681 1.00 0.00 C ATOM 1212 O LYS A 75 -2.473 9.721 -4.435 1.00 0.00 O ATOM 1213 CB LYS A 75 -5.035 8.480 -3.194 1.00 0.00 C ATOM 1214 CG LYS A 75 -6.079 7.414 -2.856 1.00 0.00 C ATOM 1215 CD LYS A 75 -7.485 8.017 -2.815 1.00 0.00 C ATOM 1216 CE LYS A 75 -8.490 7.113 -3.531 1.00 0.00 C ATOM 1217 NZ LYS A 75 -9.850 7.694 -3.464 1.00 0.00 N ATOM 0 H LYS A 75 -2.985 8.361 -1.704 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.965 6.869 -4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.880 9.129 -2.332 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.402 9.109 -4.005 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.043 6.616 -3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.845 6.963 -1.892 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.793 8.161 -1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.477 9.001 -3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.194 6.984 -4.572 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.488 6.123 -3.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.423 7.158 -2.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.789 8.687 -3.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.294 7.647 -4.403 1.00 0.00 H new ATOM 1231 N VAL A 76 -2.874 8.008 -5.856 1.00 0.00 N ATOM 1232 CA VAL A 76 -2.186 8.630 -6.975 1.00 0.00 C ATOM 1233 C VAL A 76 -3.121 8.665 -8.186 1.00 0.00 C ATOM 1234 O VAL A 76 -4.031 7.844 -8.297 1.00 0.00 O ATOM 1235 CB VAL A 76 -0.873 7.897 -7.255 1.00 0.00 C ATOM 1236 CG1 VAL A 76 -0.153 8.503 -8.462 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.031 7.900 -6.020 1.00 0.00 C ATOM 0 H VAL A 76 -3.274 7.092 -6.057 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.923 9.661 -6.737 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.112 6.861 -7.493 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.777 7.963 -8.639 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.791 8.426 -9.343 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.068 9.552 -8.265 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.958 7.373 -6.246 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.258 8.928 -5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.478 7.402 -5.195 1.00 0.00 H new