USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 505 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 20 GLN : amide:sc= -3.59! C(o=-34!,f=-31!) USER MOD Set 1.2: A 21 ASN : amide:sc= -13.5! C(o=-34!,f=-32!) USER MOD Set 1.3: B 20 GLN : amide:sc= -3.69! C(o=-34!,f=-31!) USER MOD Set 1.4: B 21 ASN : amide:sc= -12.9! C(o=-34!,f=-31!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 160:sc= -1.76 USER MOD Single : A 18 GLN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 26 ASN : amide:sc= -0.777 K(o=-0.78,f=-2) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 SER OG : rot 90:sc= 1.03 USER MOD Single : B 18 GLN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 26 ASN : amide:sc= -0.219 K(o=-0.22,f=-1.9!) USER MOD Single : B 32 LYS NZ :NH3+ 157:sc= 0.00195 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N LEU A 7 6.636 -9.850 -14.716 1.00 0.00 N ATOM 59 CA LEU A 7 6.574 -8.413 -14.923 1.00 0.00 C ATOM 60 C LEU A 7 5.110 -7.968 -14.944 1.00 0.00 C ATOM 61 O LEU A 7 4.768 -6.921 -14.397 1.00 0.00 O ATOM 62 CB LEU A 7 7.354 -8.019 -16.178 1.00 0.00 C ATOM 63 CG LEU A 7 7.911 -6.594 -16.202 1.00 0.00 C ATOM 64 CD1 LEU A 7 9.388 -6.575 -15.806 1.00 0.00 C ATOM 65 CD2 LEU A 7 7.673 -5.936 -17.564 1.00 0.00 C ATOM 0 HA LEU A 7 7.056 -7.888 -14.098 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.185 -8.715 -16.299 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.702 -8.148 -17.042 1.00 0.00 H new ATOM 0 HG LEU A 7 7.373 -6.004 -15.460 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.758 -5.550 -15.831 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.500 -6.976 -14.799 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.960 -7.185 -16.505 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.078 -4.924 -17.555 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.168 -6.518 -18.341 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.603 -5.897 -17.767 1.00 0.00 H new ATOM 77 N GLU A 8 4.285 -8.786 -15.581 1.00 0.00 N ATOM 78 CA GLU A 8 2.866 -8.490 -15.679 1.00 0.00 C ATOM 79 C GLU A 8 2.195 -8.645 -14.313 1.00 0.00 C ATOM 80 O GLU A 8 1.407 -7.794 -13.904 1.00 0.00 O ATOM 81 CB GLU A 8 2.192 -9.379 -16.726 1.00 0.00 C ATOM 82 CG GLU A 8 2.294 -8.758 -18.121 1.00 0.00 C ATOM 83 CD GLU A 8 1.020 -7.987 -18.473 1.00 0.00 C ATOM 84 OE1 GLU A 8 0.325 -8.344 -19.436 1.00 0.00 O ATOM 85 OE2 GLU A 8 0.760 -6.984 -17.704 1.00 0.00 O ATOM 0 H GLU A 8 4.572 -9.653 -16.034 1.00 0.00 H new ATOM 0 HA GLU A 8 2.752 -7.455 -16.001 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.660 -10.364 -16.727 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.144 -9.524 -16.464 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.152 -8.087 -18.162 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.465 -9.541 -18.860 1.00 0.00 H new ATOM 93 N ALA A 9 2.530 -9.740 -13.646 1.00 0.00 N ATOM 94 CA ALA A 9 1.970 -10.018 -12.335 1.00 0.00 C ATOM 95 C ALA A 9 2.491 -8.986 -11.333 1.00 0.00 C ATOM 96 O ALA A 9 1.721 -8.433 -10.548 1.00 0.00 O ATOM 97 CB ALA A 9 2.312 -11.452 -11.927 1.00 0.00 C ATOM 0 H ALA A 9 3.182 -10.445 -13.989 1.00 0.00 H new ATOM 0 HA ALA A 9 0.883 -9.936 -12.357 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.892 -11.660 -10.943 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.894 -12.147 -12.655 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.395 -11.572 -11.892 1.00 0.00 H new ATOM 103 N VAL A 10 3.794 -8.758 -11.390 1.00 0.00 N ATOM 104 CA VAL A 10 4.427 -7.802 -10.498 1.00 0.00 C ATOM 105 C VAL A 10 3.992 -6.386 -10.883 1.00 0.00 C ATOM 106 O VAL A 10 3.970 -5.489 -10.040 1.00 0.00 O ATOM 107 CB VAL A 10 5.946 -7.988 -10.523 1.00 0.00 C ATOM 108 CG1 VAL A 10 6.592 -7.388 -9.273 1.00 0.00 C ATOM 109 CG2 VAL A 10 6.314 -9.465 -10.677 1.00 0.00 C ATOM 0 H VAL A 10 4.430 -9.219 -12.041 1.00 0.00 H new ATOM 0 HA VAL A 10 4.109 -7.972 -9.469 1.00 0.00 H new ATOM 0 HB VAL A 10 6.336 -7.454 -11.390 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.671 -7.534 -9.316 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.371 -6.322 -9.226 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.194 -7.881 -8.386 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.399 -9.570 -10.692 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.906 -10.031 -9.839 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.900 -9.848 -11.610 1.00 0.00 H new ATOM 119 N ARG A 11 3.657 -6.229 -12.155 1.00 0.00 N ATOM 120 CA ARG A 11 3.224 -4.938 -12.660 1.00 0.00 C ATOM 121 C ARG A 11 1.809 -4.623 -12.168 1.00 0.00 C ATOM 122 O ARG A 11 1.498 -3.474 -11.858 1.00 0.00 O ATOM 123 CB ARG A 11 3.242 -4.911 -14.190 1.00 0.00 C ATOM 124 CG ARG A 11 2.408 -3.746 -14.728 1.00 0.00 C ATOM 125 CD ARG A 11 2.604 -3.583 -16.237 1.00 0.00 C ATOM 126 NE ARG A 11 1.292 -3.437 -16.905 1.00 0.00 N ATOM 127 CZ ARG A 11 1.138 -3.152 -18.216 1.00 0.00 C ATOM 128 NH1 ARG A 11 2.215 -2.979 -19.010 1.00 0.00 N ATOM 129 NH2 ARG A 11 -0.082 -3.045 -18.708 1.00 0.00 N ATOM 0 H ARG A 11 3.677 -6.975 -12.851 1.00 0.00 H new ATOM 0 HA ARG A 11 3.919 -4.186 -12.286 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.269 -4.821 -14.544 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.852 -5.852 -14.578 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.354 -3.918 -14.511 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.692 -2.825 -14.219 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.223 -2.709 -16.439 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.132 -4.448 -16.639 1.00 0.00 H new ATOM 0 HE ARG A 11 0.451 -3.559 -16.340 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.154 -3.063 -18.621 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.090 -2.764 -19.999 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.890 -3.177 -18.100 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.216 -2.830 -19.696 1.00 0.00 H new ATOM 142 N ARG A 12 0.990 -5.662 -12.113 1.00 0.00 N ATOM 143 CA ARG A 12 -0.383 -5.511 -11.664 1.00 0.00 C ATOM 144 C ARG A 12 -0.438 -5.441 -10.136 1.00 0.00 C ATOM 145 O ARG A 12 -1.338 -4.823 -9.572 1.00 0.00 O ATOM 146 CB ARG A 12 -1.252 -6.674 -12.146 1.00 0.00 C ATOM 147 CG ARG A 12 -2.738 -6.364 -11.956 1.00 0.00 C ATOM 148 CD ARG A 12 -3.512 -7.621 -11.553 1.00 0.00 C ATOM 149 NE ARG A 12 -4.928 -7.498 -11.968 1.00 0.00 N ATOM 150 CZ ARG A 12 -5.931 -8.250 -11.468 1.00 0.00 C ATOM 151 NH1 ARG A 12 -5.683 -9.188 -10.529 1.00 0.00 N ATOM 152 NH2 ARG A 12 -7.160 -8.055 -11.911 1.00 0.00 N ATOM 0 H ARG A 12 1.251 -6.613 -12.372 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.770 -4.584 -12.088 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.050 -6.872 -13.199 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.992 -7.579 -11.596 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.858 -5.597 -11.191 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.150 -5.959 -12.880 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.063 -8.499 -12.017 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.452 -7.765 -10.474 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.160 -6.801 -12.676 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.731 -9.333 -10.192 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.447 -9.752 -10.157 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.340 -7.345 -12.621 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.929 -8.615 -11.544 1.00 0.00 H new ATOM 165 N LYS A 13 0.537 -6.084 -9.511 1.00 0.00 N ATOM 166 CA LYS A 13 0.612 -6.103 -8.061 1.00 0.00 C ATOM 167 C LYS A 13 1.203 -4.781 -7.568 1.00 0.00 C ATOM 168 O LYS A 13 0.757 -4.236 -6.558 1.00 0.00 O ATOM 169 CB LYS A 13 1.378 -7.336 -7.579 1.00 0.00 C ATOM 170 CG LYS A 13 0.502 -8.209 -6.676 1.00 0.00 C ATOM 171 CD LYS A 13 1.358 -9.028 -5.709 1.00 0.00 C ATOM 172 CE LYS A 13 0.884 -8.843 -4.266 1.00 0.00 C ATOM 173 NZ LYS A 13 1.212 -10.038 -3.456 1.00 0.00 N ATOM 0 H LYS A 13 1.282 -6.596 -9.983 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.385 -6.188 -7.630 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.715 -7.918 -8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.270 -7.025 -7.035 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.187 -7.580 -6.113 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.104 -8.878 -7.287 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.310 -10.083 -5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.401 -8.724 -5.795 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.356 -7.961 -3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.192 -8.669 -4.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.884 -9.896 -2.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.742 -10.872 -3.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.241 -10.186 -3.457 1.00 0.00 H new ATOM 186 N ILE A 14 2.196 -4.302 -8.302 1.00 0.00 N ATOM 187 CA ILE A 14 2.853 -3.055 -7.952 1.00 0.00 C ATOM 188 C ILE A 14 1.867 -1.898 -8.127 1.00 0.00 C ATOM 189 O ILE A 14 1.709 -1.070 -7.230 1.00 0.00 O ATOM 190 CB ILE A 14 4.147 -2.886 -8.752 1.00 0.00 C ATOM 191 CG1 ILE A 14 5.081 -1.880 -8.077 1.00 0.00 C ATOM 192 CG2 ILE A 14 3.847 -2.508 -10.204 1.00 0.00 C ATOM 193 CD1 ILE A 14 4.353 -0.566 -7.785 1.00 0.00 C ATOM 0 H ILE A 14 2.562 -4.756 -9.139 1.00 0.00 H new ATOM 0 HA ILE A 14 3.153 -3.064 -6.904 1.00 0.00 H new ATOM 0 HB ILE A 14 4.667 -3.844 -8.770 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.465 -2.301 -7.148 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.941 -1.689 -8.719 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.783 -2.394 -10.751 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.249 -3.292 -10.668 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.295 -1.568 -10.229 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.040 0.131 -7.305 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.992 -0.135 -8.719 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.509 -0.757 -7.123 1.00 0.00 H new ATOM 205 N ARG A 15 1.228 -1.878 -9.287 1.00 0.00 N ATOM 206 CA ARG A 15 0.262 -0.837 -9.592 1.00 0.00 C ATOM 207 C ARG A 15 -0.920 -0.910 -8.623 1.00 0.00 C ATOM 208 O ARG A 15 -1.346 0.108 -8.079 1.00 0.00 O ATOM 209 CB ARG A 15 -0.254 -0.966 -11.025 1.00 0.00 C ATOM 210 CG ARG A 15 -0.928 0.329 -11.485 1.00 0.00 C ATOM 211 CD ARG A 15 -0.398 0.767 -12.853 1.00 0.00 C ATOM 212 NE ARG A 15 -1.223 0.172 -13.928 1.00 0.00 N ATOM 213 CZ ARG A 15 -0.885 0.187 -15.236 1.00 0.00 C ATOM 214 NH1 ARG A 15 0.264 0.768 -15.640 1.00 0.00 N ATOM 215 NH2 ARG A 15 -1.696 -0.375 -16.113 1.00 0.00 N ATOM 0 H ARG A 15 1.361 -2.567 -10.028 1.00 0.00 H new ATOM 0 HA ARG A 15 0.766 0.124 -9.485 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.573 -1.206 -11.693 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.964 -1.791 -11.087 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.007 0.183 -11.539 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.749 1.116 -10.753 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.416 1.854 -12.928 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.641 0.457 -12.966 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.100 -0.277 -13.665 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.885 1.200 -14.956 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.512 0.775 -16.629 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.563 -0.812 -15.799 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.456 -0.372 -17.104 1.00 0.00 H new ATOM 228 N SER A 16 -1.418 -2.124 -8.437 1.00 0.00 N ATOM 229 CA SER A 16 -2.542 -2.344 -7.544 1.00 0.00 C ATOM 230 C SER A 16 -2.180 -1.895 -6.127 1.00 0.00 C ATOM 231 O SER A 16 -2.921 -1.137 -5.503 1.00 0.00 O ATOM 232 CB SER A 16 -2.966 -3.815 -7.543 1.00 0.00 C ATOM 233 OG SER A 16 -1.915 -4.672 -7.107 1.00 0.00 O ATOM 0 H SER A 16 -1.063 -2.966 -8.890 1.00 0.00 H new ATOM 0 HA SER A 16 -3.384 -1.752 -7.902 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.831 -3.943 -6.893 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.276 -4.104 -8.547 1.00 0.00 H new ATOM 0 HG SER A 16 -2.291 -5.528 -6.814 1.00 0.00 H new ATOM 239 N LEU A 17 -1.040 -2.381 -5.659 1.00 0.00 N ATOM 240 CA LEU A 17 -0.570 -2.040 -4.327 1.00 0.00 C ATOM 241 C LEU A 17 -0.460 -0.519 -4.205 1.00 0.00 C ATOM 242 O LEU A 17 -0.739 0.044 -3.147 1.00 0.00 O ATOM 243 CB LEU A 17 0.732 -2.779 -4.011 1.00 0.00 C ATOM 244 CG LEU A 17 0.591 -4.255 -3.636 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.898 -4.800 -3.056 1.00 0.00 C ATOM 246 CD2 LEU A 17 -0.589 -4.469 -2.686 1.00 0.00 C ATOM 0 H LEU A 17 -0.427 -3.009 -6.179 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.286 -2.370 -3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.388 -2.706 -4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.230 -2.262 -3.191 1.00 0.00 H new ATOM 0 HG LEU A 17 0.380 -4.819 -4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.771 -5.851 -2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.693 -4.702 -3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.162 -4.236 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.667 -5.527 -2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.433 -3.891 -1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.509 -4.142 -3.170 1.00 0.00 H new ATOM 258 N GLN A 18 -0.051 0.102 -5.301 1.00 0.00 N ATOM 259 CA GLN A 18 0.100 1.547 -5.330 1.00 0.00 C ATOM 260 C GLN A 18 -1.237 2.228 -5.029 1.00 0.00 C ATOM 261 O GLN A 18 -1.308 3.122 -4.188 1.00 0.00 O ATOM 262 CB GLN A 18 0.662 2.013 -6.675 1.00 0.00 C ATOM 263 CG GLN A 18 1.465 3.305 -6.515 1.00 0.00 C ATOM 264 CD GLN A 18 1.362 4.174 -7.771 1.00 0.00 C ATOM 265 OE1 GLN A 18 1.108 5.366 -7.714 1.00 0.00 O ATOM 266 NE2 GLN A 18 1.574 3.512 -8.905 1.00 0.00 N ATOM 0 H GLN A 18 0.181 -0.369 -6.176 1.00 0.00 H new ATOM 0 HA GLN A 18 0.813 1.833 -4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.298 1.235 -7.097 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.155 2.173 -7.379 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.098 3.861 -5.653 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.510 3.066 -6.319 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.782 2.514 -8.882 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.528 4.003 -9.798 1.00 0.00 H new ATOM 275 N GLU A 19 -2.265 1.777 -5.734 1.00 0.00 N ATOM 276 CA GLU A 19 -3.597 2.330 -5.554 1.00 0.00 C ATOM 277 C GLU A 19 -4.035 2.195 -4.094 1.00 0.00 C ATOM 278 O GLU A 19 -4.504 3.158 -3.490 1.00 0.00 O ATOM 279 CB GLU A 19 -4.602 1.659 -6.492 1.00 0.00 C ATOM 280 CG GLU A 19 -4.365 2.085 -7.943 1.00 0.00 C ATOM 281 CD GLU A 19 -5.684 2.158 -8.714 1.00 0.00 C ATOM 282 OE1 GLU A 19 -6.556 1.293 -8.535 1.00 0.00 O ATOM 283 OE2 GLU A 19 -5.788 3.157 -9.524 1.00 0.00 O ATOM 0 H GLU A 19 -2.202 1.035 -6.431 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.566 3.390 -5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.516 0.576 -6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.616 1.922 -6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.872 3.057 -7.965 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.694 1.377 -8.429 1.00 0.00 H new ATOM 291 N GLN A 20 -3.865 0.990 -3.568 1.00 0.00 N ATOM 292 CA GLN A 20 -4.237 0.715 -2.191 1.00 0.00 C ATOM 293 C GLN A 20 -3.444 1.613 -1.239 1.00 0.00 C ATOM 294 O GLN A 20 -3.984 2.102 -0.247 1.00 0.00 O ATOM 295 CB GLN A 20 -4.032 -0.762 -1.851 1.00 0.00 C ATOM 296 CG GLN A 20 -3.964 -0.973 -0.337 1.00 0.00 C ATOM 297 CD GLN A 20 -4.258 -2.429 0.028 1.00 0.00 C ATOM 298 OE1 GLN A 20 -5.110 -3.081 -0.553 1.00 0.00 O ATOM 299 NE2 GLN A 20 -3.508 -2.899 1.020 1.00 0.00 N ATOM 0 H GLN A 20 -3.474 0.193 -4.071 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.297 0.936 -2.070 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.849 -1.351 -2.267 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.112 -1.121 -2.313 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.975 -0.695 0.028 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.682 -0.318 0.157 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.813 -2.298 1.462 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.628 -3.861 1.339 1.00 0.00 H new ATOM 308 N ASN A 21 -2.176 1.802 -1.572 1.00 0.00 N ATOM 309 CA ASN A 21 -1.303 2.631 -0.759 1.00 0.00 C ATOM 310 C ASN A 21 -1.924 4.022 -0.607 1.00 0.00 C ATOM 311 O ASN A 21 -2.040 4.535 0.504 1.00 0.00 O ATOM 312 CB ASN A 21 0.068 2.796 -1.416 1.00 0.00 C ATOM 313 CG ASN A 21 1.069 1.783 -0.855 1.00 0.00 C ATOM 314 OD1 ASN A 21 2.262 2.025 -0.785 1.00 0.00 O ATOM 315 ND2 ASN A 21 0.517 0.639 -0.462 1.00 0.00 N ATOM 0 H ASN A 21 -1.732 1.395 -2.395 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.183 2.146 0.210 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.023 2.664 -2.494 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.436 3.808 -1.248 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.101 -0.102 -0.074 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.490 0.502 -0.549 1.00 0.00 H new ATOM 322 N TYR A 22 -2.309 4.590 -1.740 1.00 0.00 N ATOM 323 CA TYR A 22 -2.915 5.910 -1.748 1.00 0.00 C ATOM 324 C TYR A 22 -4.324 5.870 -1.151 1.00 0.00 C ATOM 325 O TYR A 22 -4.833 6.887 -0.683 1.00 0.00 O ATOM 326 CB TYR A 22 -3.009 6.324 -3.217 1.00 0.00 C ATOM 327 CG TYR A 22 -1.865 7.228 -3.683 1.00 0.00 C ATOM 328 CD1 TYR A 22 -0.558 6.799 -3.574 1.00 0.00 C ATOM 329 CD2 TYR A 22 -2.141 8.472 -4.213 1.00 0.00 C ATOM 330 CE1 TYR A 22 0.518 7.650 -4.011 1.00 0.00 C ATOM 331 CE2 TYR A 22 -1.065 9.322 -4.652 1.00 0.00 C ATOM 332 CZ TYR A 22 0.211 8.869 -4.529 1.00 0.00 C ATOM 333 OH TYR A 22 1.227 9.673 -4.943 1.00 0.00 O ATOM 0 H TYR A 22 -2.213 4.160 -2.660 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.323 6.607 -1.155 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.025 5.427 -3.836 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -3.955 6.840 -3.379 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.342 5.825 -3.161 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.164 8.808 -4.298 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.545 7.327 -3.929 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.267 10.297 -5.070 1.00 0.00 H new ATOM 0 HH TYR A 22 0.859 10.512 -5.291 1.00 0.00 H new ATOM 343 N HIS A 23 -4.914 4.684 -1.189 1.00 0.00 N ATOM 344 CA HIS A 23 -6.254 4.498 -0.658 1.00 0.00 C ATOM 345 C HIS A 23 -6.201 4.479 0.871 1.00 0.00 C ATOM 346 O HIS A 23 -7.059 5.065 1.532 1.00 0.00 O ATOM 347 CB HIS A 23 -6.900 3.241 -1.244 1.00 0.00 C ATOM 348 CG HIS A 23 -8.280 3.470 -1.813 1.00 0.00 C ATOM 349 ND1 HIS A 23 -9.332 3.956 -1.057 1.00 0.00 N ATOM 350 CD2 HIS A 23 -8.770 3.274 -3.072 1.00 0.00 C ATOM 351 CE1 HIS A 23 -10.401 4.044 -1.835 1.00 0.00 C ATOM 352 NE2 HIS A 23 -10.051 3.620 -3.083 1.00 0.00 N ATOM 0 H HIS A 23 -4.489 3.843 -1.579 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.887 5.334 -0.955 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.255 2.845 -2.029 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.960 2.479 -0.467 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.210 2.900 -3.916 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -11.378 4.391 -1.534 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.671 3.576 -3.891 1.00 0.00 H new ATOM 360 N LEU A 24 -5.188 3.800 1.389 1.00 0.00 N ATOM 361 CA LEU A 24 -5.014 3.698 2.828 1.00 0.00 C ATOM 362 C LEU A 24 -4.347 4.972 3.348 1.00 0.00 C ATOM 363 O LEU A 24 -4.588 5.385 4.482 1.00 0.00 O ATOM 364 CB LEU A 24 -4.257 2.417 3.186 1.00 0.00 C ATOM 365 CG LEU A 24 -4.946 1.104 2.811 1.00 0.00 C ATOM 366 CD1 LEU A 24 -3.919 0.033 2.436 1.00 0.00 C ATOM 367 CD2 LEU A 24 -5.880 0.636 3.929 1.00 0.00 C ATOM 0 H LEU A 24 -4.480 3.315 0.838 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.981 3.619 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.283 2.446 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.075 2.415 4.261 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.562 1.281 1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.435 -0.890 2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.331 0.375 1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.258 -0.149 3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.357 -0.299 3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.305 0.480 4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.644 1.393 4.106 1.00 0.00 H new ATOM 379 N GLU A 25 -3.521 5.561 2.495 1.00 0.00 N ATOM 380 CA GLU A 25 -2.817 6.781 2.855 1.00 0.00 C ATOM 381 C GLU A 25 -3.809 7.933 3.028 1.00 0.00 C ATOM 382 O GLU A 25 -3.755 8.659 4.019 1.00 0.00 O ATOM 383 CB GLU A 25 -1.751 7.125 1.814 1.00 0.00 C ATOM 384 CG GLU A 25 -1.337 8.594 1.918 1.00 0.00 C ATOM 385 CD GLU A 25 -0.329 8.959 0.827 1.00 0.00 C ATOM 386 OE1 GLU A 25 -0.409 8.433 -0.293 1.00 0.00 O ATOM 387 OE2 GLU A 25 0.563 9.824 1.176 1.00 0.00 O ATOM 0 H GLU A 25 -3.323 5.216 1.556 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.309 6.619 3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.879 6.487 1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.135 6.922 0.814 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.218 9.230 1.832 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.901 8.784 2.899 1.00 0.00 H new ATOM 395 N ASN A 26 -4.689 8.066 2.046 1.00 0.00 N ATOM 396 CA ASN A 26 -5.690 9.120 2.077 1.00 0.00 C ATOM 397 C ASN A 26 -6.782 8.749 3.084 1.00 0.00 C ATOM 398 O ASN A 26 -7.344 9.622 3.743 1.00 0.00 O ATOM 399 CB ASN A 26 -6.349 9.293 0.708 1.00 0.00 C ATOM 400 CG ASN A 26 -5.313 9.663 -0.356 1.00 0.00 C ATOM 401 OD1 ASN A 26 -4.178 10.001 -0.064 1.00 0.00 O ATOM 402 ND2 ASN A 26 -5.766 9.581 -1.604 1.00 0.00 N ATOM 0 H ASN A 26 -4.730 7.462 1.225 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.194 10.049 2.359 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.854 8.370 0.424 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.112 10.069 0.763 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.151 9.808 -2.386 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.728 9.291 -1.779 1.00 0.00 H new ATOM 409 N GLU A 27 -7.049 7.455 3.169 1.00 0.00 N ATOM 410 CA GLU A 27 -8.063 6.958 4.084 1.00 0.00 C ATOM 411 C GLU A 27 -7.642 7.214 5.532 1.00 0.00 C ATOM 412 O GLU A 27 -8.359 7.870 6.285 1.00 0.00 O ATOM 413 CB GLU A 27 -8.336 5.472 3.846 1.00 0.00 C ATOM 414 CG GLU A 27 -9.264 4.906 4.922 1.00 0.00 C ATOM 415 CD GLU A 27 -10.071 3.723 4.384 1.00 0.00 C ATOM 416 OE1 GLU A 27 -10.231 3.586 3.163 1.00 0.00 O ATOM 417 OE2 GLU A 27 -10.541 2.929 5.285 1.00 0.00 O ATOM 0 H GLU A 27 -6.581 6.735 2.619 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.991 7.498 3.895 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.786 5.334 2.863 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.395 4.921 3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.676 4.588 5.783 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.942 5.686 5.269 1.00 0.00 H new ATOM 425 N VAL A 28 -6.479 6.680 5.880 1.00 0.00 N ATOM 426 CA VAL A 28 -5.954 6.841 7.226 1.00 0.00 C ATOM 427 C VAL A 28 -5.832 8.332 7.545 1.00 0.00 C ATOM 428 O VAL A 28 -6.192 8.768 8.637 1.00 0.00 O ATOM 429 CB VAL A 28 -4.629 6.089 7.363 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.443 7.010 7.068 1.00 0.00 C ATOM 431 CG2 VAL A 28 -4.499 5.454 8.749 1.00 0.00 C ATOM 0 H VAL A 28 -5.886 6.136 5.253 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.636 6.407 7.958 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.622 5.286 6.625 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.513 6.451 7.172 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.524 7.393 6.051 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.446 7.843 7.771 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.548 4.926 8.819 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.539 6.232 9.511 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.317 4.751 8.905 1.00 0.00 H new ATOM 441 N ALA A 29 -5.321 9.073 6.572 1.00 0.00 N ATOM 442 CA ALA A 29 -5.146 10.506 6.736 1.00 0.00 C ATOM 443 C ALA A 29 -6.498 11.147 7.055 1.00 0.00 C ATOM 444 O ALA A 29 -6.712 11.635 8.164 1.00 0.00 O ATOM 445 CB ALA A 29 -4.507 11.090 5.475 1.00 0.00 C ATOM 0 H ALA A 29 -5.023 8.708 5.668 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.476 10.718 7.569 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.376 12.165 5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.536 10.623 5.309 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.153 10.899 4.618 1.00 0.00 H new ATOM 451 N ARG A 30 -7.377 11.126 6.063 1.00 0.00 N ATOM 452 CA ARG A 30 -8.702 11.698 6.223 1.00 0.00 C ATOM 453 C ARG A 30 -9.384 11.118 7.464 1.00 0.00 C ATOM 454 O ARG A 30 -10.292 11.732 8.022 1.00 0.00 O ATOM 455 CB ARG A 30 -9.573 11.425 4.996 1.00 0.00 C ATOM 456 CG ARG A 30 -10.171 10.018 5.051 1.00 0.00 C ATOM 457 CD ARG A 30 -11.688 10.074 5.245 1.00 0.00 C ATOM 458 NE ARG A 30 -12.219 8.714 5.481 1.00 0.00 N ATOM 459 CZ ARG A 30 -13.432 8.457 6.016 1.00 0.00 C ATOM 460 NH1 ARG A 30 -14.251 9.468 6.374 1.00 0.00 N ATOM 461 NH2 ARG A 30 -13.805 7.201 6.183 1.00 0.00 N ATOM 0 H ARG A 30 -7.196 10.721 5.145 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.586 12.776 6.338 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.374 12.163 4.942 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.977 11.536 4.090 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.938 9.484 4.130 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.717 9.458 5.868 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.931 10.720 6.089 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.160 10.510 4.364 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.632 7.920 5.224 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.955 10.435 6.241 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -15.166 9.265 6.777 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.180 6.443 5.909 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.718 6.989 6.586 1.00 0.00 H new ATOM 474 N LEU A 31 -8.921 9.941 7.859 1.00 0.00 N ATOM 475 CA LEU A 31 -9.476 9.271 9.023 1.00 0.00 C ATOM 476 C LEU A 31 -9.027 10.003 10.289 1.00 0.00 C ATOM 477 O LEU A 31 -9.857 10.434 11.088 1.00 0.00 O ATOM 478 CB LEU A 31 -9.111 7.785 9.010 1.00 0.00 C ATOM 479 CG LEU A 31 -9.761 6.925 10.096 1.00 0.00 C ATOM 480 CD1 LEU A 31 -11.163 7.437 10.433 1.00 0.00 C ATOM 481 CD2 LEU A 31 -9.772 5.449 9.693 1.00 0.00 C ATOM 0 H LEU A 31 -8.168 9.434 7.394 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.565 9.309 9.001 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.382 7.373 8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.029 7.696 9.103 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.161 7.007 11.002 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.603 6.809 11.207 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.099 8.464 10.792 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.787 7.403 9.540 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.239 4.860 10.482 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.336 5.329 8.768 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.749 5.106 9.541 1.00 0.00 H new ATOM 493 N LYS A 32 -7.715 10.120 10.433 1.00 0.00 N ATOM 494 CA LYS A 32 -7.146 10.793 11.588 1.00 0.00 C ATOM 495 C LYS A 32 -7.790 12.173 11.738 1.00 0.00 C ATOM 496 O LYS A 32 -7.964 12.662 12.854 1.00 0.00 O ATOM 497 CB LYS A 32 -5.620 10.835 11.486 1.00 0.00 C ATOM 498 CG LYS A 32 -5.040 9.424 11.371 1.00 0.00 C ATOM 499 CD LYS A 32 -3.867 9.392 10.388 1.00 0.00 C ATOM 500 CE LYS A 32 -3.063 8.099 10.537 1.00 0.00 C ATOM 501 NZ LYS A 32 -1.805 8.354 11.274 1.00 0.00 N ATOM 0 H LYS A 32 -7.030 9.760 9.769 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.367 10.237 12.499 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.326 11.425 10.618 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.207 11.332 12.364 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.707 9.083 12.351 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.816 8.734 11.040 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.240 9.477 9.368 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.218 10.250 10.562 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.657 7.353 11.066 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.838 7.688 9.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.271 7.466 11.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.233 9.050 10.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.026 8.725 12.220 1.00 0.00 H new ATOM 514 N LYS A 33 -8.127 12.760 10.600 1.00 0.00 N ATOM 515 CA LYS A 33 -8.748 14.074 10.591 1.00 0.00 C ATOM 516 C LYS A 33 -10.234 13.933 10.930 1.00 0.00 C ATOM 517 O LYS A 33 -10.823 14.827 11.536 1.00 0.00 O ATOM 518 CB LYS A 33 -8.486 14.782 9.260 1.00 0.00 C ATOM 519 CG LYS A 33 -8.995 16.224 9.296 1.00 0.00 C ATOM 520 CD LYS A 33 -9.809 16.549 8.042 1.00 0.00 C ATOM 521 CE LYS A 33 -11.258 16.083 8.193 1.00 0.00 C ATOM 522 NZ LYS A 33 -12.172 16.981 7.452 1.00 0.00 N ATOM 0 H LYS A 33 -7.982 12.350 9.677 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.304 14.710 11.357 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.418 14.775 9.045 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.977 14.239 8.453 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.611 16.374 10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.151 16.910 9.374 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.786 17.623 7.857 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.357 16.067 7.175 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.359 15.064 7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.532 16.065 9.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.151 16.650 7.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.088 17.948 7.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.920 16.977 6.443 1.00 0.00 H new ATOM 535 N LEU A 34 -10.796 12.804 10.524 1.00 0.00 N ATOM 536 CA LEU A 34 -12.201 12.535 10.777 1.00 0.00 C ATOM 537 C LEU A 34 -12.380 12.115 12.237 1.00 0.00 C ATOM 538 O LEU A 34 -13.243 12.644 12.937 1.00 0.00 O ATOM 539 CB LEU A 34 -12.741 11.516 9.773 1.00 0.00 C ATOM 540 CG LEU A 34 -14.264 11.401 9.684 1.00 0.00 C ATOM 541 CD1 LEU A 34 -14.819 12.310 8.585 1.00 0.00 C ATOM 542 CD2 LEU A 34 -14.695 9.946 9.498 1.00 0.00 C ATOM 0 H LEU A 34 -10.304 12.065 10.022 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.794 13.437 10.629 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.358 11.772 8.785 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.337 10.536 10.028 1.00 0.00 H new ATOM 0 HG LEU A 34 -14.688 11.742 10.628 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -15.904 12.209 8.543 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -14.559 13.346 8.804 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -14.390 12.023 7.625 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -15.782 9.893 9.438 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -14.261 9.553 8.579 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -14.349 9.353 10.345 1.00 0.00 H new ATOM 554 N VAL A 35 -11.552 11.168 12.653 1.00 0.00 N ATOM 555 CA VAL A 35 -11.609 10.671 14.017 1.00 0.00 C ATOM 556 C VAL A 35 -11.480 11.846 14.989 1.00 0.00 C ATOM 557 O VAL A 35 -12.359 12.065 15.823 1.00 0.00 O ATOM 558 CB VAL A 35 -10.536 9.601 14.228 1.00 0.00 C ATOM 559 CG1 VAL A 35 -10.770 8.401 13.309 1.00 0.00 C ATOM 560 CG2 VAL A 35 -9.135 10.181 14.027 1.00 0.00 C ATOM 0 H VAL A 35 -10.838 10.732 12.069 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.569 10.193 14.210 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.609 9.253 15.258 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.993 7.655 13.479 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.746 7.964 13.522 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.738 8.727 12.269 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.392 9.399 14.183 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.045 10.571 13.013 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.969 10.987 14.742 1.00 0.00 H new ATOM 719 N VAL B 10 10.945 -3.121 -10.026 1.00 0.00 N ATOM 720 CA VAL B 10 9.538 -3.440 -9.855 1.00 0.00 C ATOM 721 C VAL B 10 9.367 -4.335 -8.626 1.00 0.00 C ATOM 722 O VAL B 10 8.392 -4.204 -7.888 1.00 0.00 O ATOM 723 CB VAL B 10 8.987 -4.072 -11.135 1.00 0.00 C ATOM 724 CG1 VAL B 10 8.935 -5.597 -11.016 1.00 0.00 C ATOM 725 CG2 VAL B 10 7.608 -3.502 -11.477 1.00 0.00 C ATOM 0 HA VAL B 10 8.959 -2.533 -9.679 1.00 0.00 H new ATOM 0 HB VAL B 10 9.666 -3.823 -11.951 1.00 0.00 H new ATOM 0 HG11 VAL B 10 8.540 -6.021 -11.939 1.00 0.00 H new ATOM 0 HG12 VAL B 10 9.939 -5.983 -10.841 1.00 0.00 H new ATOM 0 HG13 VAL B 10 8.289 -5.875 -10.183 1.00 0.00 H new ATOM 0 HG21 VAL B 10 7.238 -3.967 -12.391 1.00 0.00 H new ATOM 0 HG22 VAL B 10 6.917 -3.707 -10.660 1.00 0.00 H new ATOM 0 HG23 VAL B 10 7.686 -2.425 -11.624 1.00 0.00 H new ATOM 735 N ARG B 11 10.331 -5.226 -8.444 1.00 0.00 N ATOM 736 CA ARG B 11 10.301 -6.142 -7.317 1.00 0.00 C ATOM 737 C ARG B 11 10.471 -5.375 -6.004 1.00 0.00 C ATOM 738 O ARG B 11 9.913 -5.761 -4.978 1.00 0.00 O ATOM 739 CB ARG B 11 11.406 -7.195 -7.432 1.00 0.00 C ATOM 740 CG ARG B 11 11.600 -7.932 -6.105 1.00 0.00 C ATOM 741 CD ARG B 11 12.628 -9.057 -6.250 1.00 0.00 C ATOM 742 NE ARG B 11 12.261 -10.193 -5.375 1.00 0.00 N ATOM 743 CZ ARG B 11 11.396 -11.170 -5.725 1.00 0.00 C ATOM 744 NH1 ARG B 11 10.803 -11.156 -6.937 1.00 0.00 N ATOM 745 NH2 ARG B 11 11.142 -12.137 -4.864 1.00 0.00 N ATOM 0 H ARG B 11 11.138 -5.333 -9.059 1.00 0.00 H new ATOM 0 HA ARG B 11 9.334 -6.645 -7.325 1.00 0.00 H new ATOM 0 HB2 ARG B 11 11.153 -7.909 -8.215 1.00 0.00 H new ATOM 0 HB3 ARG B 11 12.340 -6.717 -7.727 1.00 0.00 H new ATOM 0 HG2 ARG B 11 11.929 -7.230 -5.339 1.00 0.00 H new ATOM 0 HG3 ARG B 11 10.648 -8.345 -5.771 1.00 0.00 H new ATOM 0 HD2 ARG B 11 12.675 -9.387 -7.288 1.00 0.00 H new ATOM 0 HD3 ARG B 11 13.620 -8.690 -5.987 1.00 0.00 H new ATOM 0 HE ARG B 11 12.688 -10.241 -4.450 1.00 0.00 H new ATOM 0 HH11 ARG B 11 11.007 -10.404 -7.596 1.00 0.00 H new ATOM 0 HH12 ARG B 11 10.151 -11.897 -7.194 1.00 0.00 H new ATOM 0 HH21 ARG B 11 11.596 -12.139 -3.951 1.00 0.00 H new ATOM 0 HH22 ARG B 11 10.492 -12.883 -5.112 1.00 0.00 H new ATOM 758 N ARG B 12 11.245 -4.302 -6.079 1.00 0.00 N ATOM 759 CA ARG B 12 11.497 -3.478 -4.909 1.00 0.00 C ATOM 760 C ARG B 12 10.318 -2.533 -4.663 1.00 0.00 C ATOM 761 O ARG B 12 10.036 -2.171 -3.521 1.00 0.00 O ATOM 762 CB ARG B 12 12.774 -2.654 -5.080 1.00 0.00 C ATOM 763 CG ARG B 12 13.154 -1.953 -3.775 1.00 0.00 C ATOM 764 CD ARG B 12 13.530 -0.491 -4.025 1.00 0.00 C ATOM 765 NE ARG B 12 14.649 -0.098 -3.140 1.00 0.00 N ATOM 766 CZ ARG B 12 14.503 0.249 -1.844 1.00 0.00 C ATOM 767 NH1 ARG B 12 13.280 0.254 -1.269 1.00 0.00 N ATOM 768 NH2 ARG B 12 15.571 0.584 -1.146 1.00 0.00 N ATOM 0 H ARG B 12 11.706 -3.984 -6.932 1.00 0.00 H new ATOM 0 HA ARG B 12 11.620 -4.143 -4.054 1.00 0.00 H new ATOM 0 HB2 ARG B 12 13.590 -3.303 -5.399 1.00 0.00 H new ATOM 0 HB3 ARG B 12 12.630 -1.913 -5.866 1.00 0.00 H new ATOM 0 HG2 ARG B 12 12.320 -2.003 -3.075 1.00 0.00 H new ATOM 0 HG3 ARG B 12 13.992 -2.473 -3.310 1.00 0.00 H new ATOM 0 HD2 ARG B 12 13.815 -0.353 -5.068 1.00 0.00 H new ATOM 0 HD3 ARG B 12 12.668 0.151 -3.842 1.00 0.00 H new ATOM 0 HE ARG B 12 15.590 -0.089 -3.534 1.00 0.00 H new ATOM 0 HH11 ARG B 12 12.459 -0.006 -1.815 1.00 0.00 H new ATOM 0 HH12 ARG B 12 13.178 0.518 -0.289 1.00 0.00 H new ATOM 0 HH21 ARG B 12 16.491 0.578 -1.587 1.00 0.00 H new ATOM 0 HH22 ARG B 12 15.477 0.849 -0.165 1.00 0.00 H new ATOM 781 N LYS B 13 9.661 -2.161 -5.752 1.00 0.00 N ATOM 782 CA LYS B 13 8.520 -1.266 -5.668 1.00 0.00 C ATOM 783 C LYS B 13 7.298 -2.048 -5.183 1.00 0.00 C ATOM 784 O LYS B 13 6.489 -1.529 -4.416 1.00 0.00 O ATOM 785 CB LYS B 13 8.302 -0.550 -7.003 1.00 0.00 C ATOM 786 CG LYS B 13 8.376 0.969 -6.829 1.00 0.00 C ATOM 787 CD LYS B 13 8.189 1.684 -8.168 1.00 0.00 C ATOM 788 CE LYS B 13 7.495 3.034 -7.977 1.00 0.00 C ATOM 789 NZ LYS B 13 7.640 3.868 -9.191 1.00 0.00 N ATOM 0 H LYS B 13 9.897 -2.463 -6.697 1.00 0.00 H new ATOM 0 HA LYS B 13 8.706 -0.479 -4.937 1.00 0.00 H new ATOM 0 HB2 LYS B 13 9.055 -0.875 -7.721 1.00 0.00 H new ATOM 0 HB3 LYS B 13 7.331 -0.826 -7.413 1.00 0.00 H new ATOM 0 HG2 LYS B 13 7.608 1.296 -6.128 1.00 0.00 H new ATOM 0 HG3 LYS B 13 9.339 1.243 -6.398 1.00 0.00 H new ATOM 0 HD2 LYS B 13 9.159 1.834 -8.643 1.00 0.00 H new ATOM 0 HD3 LYS B 13 7.599 1.059 -8.838 1.00 0.00 H new ATOM 0 HE2 LYS B 13 6.438 2.879 -7.759 1.00 0.00 H new ATOM 0 HE3 LYS B 13 7.924 3.552 -7.119 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 7.163 4.781 -9.044 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 8.649 4.031 -9.381 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 7.209 3.379 -10.002 1.00 0.00 H new ATOM 802 N ILE B 14 7.203 -3.284 -5.652 1.00 0.00 N ATOM 803 CA ILE B 14 6.093 -4.142 -5.275 1.00 0.00 C ATOM 804 C ILE B 14 6.239 -4.544 -3.807 1.00 0.00 C ATOM 805 O ILE B 14 5.317 -4.355 -3.013 1.00 0.00 O ATOM 806 CB ILE B 14 5.989 -5.334 -6.231 1.00 0.00 C ATOM 807 CG1 ILE B 14 4.598 -5.968 -6.168 1.00 0.00 C ATOM 808 CG2 ILE B 14 7.097 -6.353 -5.958 1.00 0.00 C ATOM 809 CD1 ILE B 14 4.423 -6.780 -4.882 1.00 0.00 C ATOM 0 H ILE B 14 7.876 -3.711 -6.289 1.00 0.00 H new ATOM 0 HA ILE B 14 5.149 -3.605 -5.366 1.00 0.00 H new ATOM 0 HB ILE B 14 6.130 -4.970 -7.249 1.00 0.00 H new ATOM 0 HG12 ILE B 14 3.837 -5.189 -6.217 1.00 0.00 H new ATOM 0 HG13 ILE B 14 4.449 -6.614 -7.033 1.00 0.00 H new ATOM 0 HG21 ILE B 14 7.001 -7.189 -6.650 1.00 0.00 H new ATOM 0 HG22 ILE B 14 8.069 -5.879 -6.095 1.00 0.00 H new ATOM 0 HG23 ILE B 14 7.012 -6.718 -4.934 1.00 0.00 H new ATOM 0 HD11 ILE B 14 3.426 -7.220 -4.862 1.00 0.00 H new ATOM 0 HD12 ILE B 14 5.170 -7.573 -4.848 1.00 0.00 H new ATOM 0 HD13 ILE B 14 4.548 -6.126 -4.019 1.00 0.00 H new ATOM 821 N ARG B 15 7.403 -5.090 -3.488 1.00 0.00 N ATOM 822 CA ARG B 15 7.682 -5.519 -2.128 1.00 0.00 C ATOM 823 C ARG B 15 7.540 -4.343 -1.160 1.00 0.00 C ATOM 824 O ARG B 15 6.915 -4.471 -0.109 1.00 0.00 O ATOM 825 CB ARG B 15 9.094 -6.098 -2.012 1.00 0.00 C ATOM 826 CG ARG B 15 9.183 -7.097 -0.857 1.00 0.00 C ATOM 827 CD ARG B 15 10.267 -8.144 -1.121 1.00 0.00 C ATOM 828 NE ARG B 15 10.677 -8.780 0.152 1.00 0.00 N ATOM 829 CZ ARG B 15 11.571 -9.787 0.241 1.00 0.00 C ATOM 830 NH1 ARG B 15 12.157 -10.284 -0.869 1.00 0.00 N ATOM 831 NH2 ARG B 15 11.864 -10.280 1.430 1.00 0.00 N ATOM 0 H ARG B 15 8.165 -5.245 -4.149 1.00 0.00 H new ATOM 0 HA ARG B 15 6.961 -6.295 -1.871 1.00 0.00 H new ATOM 0 HB2 ARG B 15 9.367 -6.590 -2.945 1.00 0.00 H new ATOM 0 HB3 ARG B 15 9.810 -5.291 -1.856 1.00 0.00 H new ATOM 0 HG2 ARG B 15 9.402 -6.568 0.070 1.00 0.00 H new ATOM 0 HG3 ARG B 15 8.220 -7.591 -0.723 1.00 0.00 H new ATOM 0 HD2 ARG B 15 9.893 -8.900 -1.811 1.00 0.00 H new ATOM 0 HD3 ARG B 15 11.128 -7.676 -1.597 1.00 0.00 H new ATOM 0 HE ARG B 15 10.257 -8.435 1.016 1.00 0.00 H new ATOM 0 HH11 ARG B 15 11.925 -9.898 -1.784 1.00 0.00 H new ATOM 0 HH12 ARG B 15 12.832 -11.045 -0.792 1.00 0.00 H new ATOM 0 HH21 ARG B 15 11.417 -9.900 2.264 1.00 0.00 H new ATOM 0 HH22 ARG B 15 12.538 -11.041 1.515 1.00 0.00 H new ATOM 844 N SER B 16 8.129 -3.223 -1.550 1.00 0.00 N ATOM 845 CA SER B 16 8.076 -2.024 -0.731 1.00 0.00 C ATOM 846 C SER B 16 6.620 -1.624 -0.482 1.00 0.00 C ATOM 847 O SER B 16 6.218 -1.407 0.659 1.00 0.00 O ATOM 848 CB SER B 16 8.837 -0.872 -1.388 1.00 0.00 C ATOM 849 OG SER B 16 10.248 -1.074 -1.349 1.00 0.00 O ATOM 0 H SER B 16 8.646 -3.120 -2.423 1.00 0.00 H new ATOM 0 HA SER B 16 8.555 -2.242 0.223 1.00 0.00 H new ATOM 0 HB2 SER B 16 8.514 -0.768 -2.424 1.00 0.00 H new ATOM 0 HB3 SER B 16 8.590 0.061 -0.882 1.00 0.00 H new ATOM 0 HG SER B 16 10.532 -1.557 -2.153 1.00 0.00 H new ATOM 855 N LEU B 17 5.869 -1.540 -1.571 1.00 0.00 N ATOM 856 CA LEU B 17 4.466 -1.169 -1.486 1.00 0.00 C ATOM 857 C LEU B 17 3.728 -2.184 -0.609 1.00 0.00 C ATOM 858 O LEU B 17 2.860 -1.812 0.177 1.00 0.00 O ATOM 859 CB LEU B 17 3.867 -1.015 -2.886 1.00 0.00 C ATOM 860 CG LEU B 17 4.209 0.281 -3.623 1.00 0.00 C ATOM 861 CD1 LEU B 17 3.031 1.257 -3.589 1.00 0.00 C ATOM 862 CD2 LEU B 17 5.488 0.908 -3.064 1.00 0.00 C ATOM 0 H LEU B 17 6.205 -1.722 -2.516 1.00 0.00 H new ATOM 0 HA LEU B 17 4.357 -0.195 -1.009 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.199 -1.855 -3.496 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.782 -1.089 -2.806 1.00 0.00 H new ATOM 0 HG LEU B 17 4.399 0.040 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU B 17 3.300 2.170 -4.120 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.166 0.800 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.787 1.497 -2.554 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.709 1.828 -3.605 1.00 0.00 H new ATOM 0 HD22 LEU B 17 5.351 1.133 -2.006 1.00 0.00 H new ATOM 0 HD23 LEU B 17 6.317 0.210 -3.182 1.00 0.00 H new ATOM 874 N GLN B 18 4.103 -3.443 -0.776 1.00 0.00 N ATOM 875 CA GLN B 18 3.486 -4.514 -0.009 1.00 0.00 C ATOM 876 C GLN B 18 3.592 -4.223 1.489 1.00 0.00 C ATOM 877 O GLN B 18 2.607 -4.327 2.217 1.00 0.00 O ATOM 878 CB GLN B 18 4.116 -5.865 -0.352 1.00 0.00 C ATOM 879 CG GLN B 18 3.061 -6.975 -0.362 1.00 0.00 C ATOM 880 CD GLN B 18 3.552 -8.204 0.407 1.00 0.00 C ATOM 881 OE1 GLN B 18 2.861 -8.758 1.246 1.00 0.00 O ATOM 882 NE2 GLN B 18 4.777 -8.597 0.073 1.00 0.00 N ATOM 0 H GLN B 18 4.825 -3.746 -1.430 1.00 0.00 H new ATOM 0 HA GLN B 18 2.430 -4.564 -0.275 1.00 0.00 H new ATOM 0 HB2 GLN B 18 4.599 -5.808 -1.328 1.00 0.00 H new ATOM 0 HB3 GLN B 18 4.893 -6.103 0.375 1.00 0.00 H new ATOM 0 HG2 GLN B 18 2.137 -6.608 0.084 1.00 0.00 H new ATOM 0 HG3 GLN B 18 2.830 -7.253 -1.390 1.00 0.00 H new ATOM 0 HE21 GLN B 18 5.300 -8.087 -0.639 1.00 0.00 H new ATOM 0 HE22 GLN B 18 5.194 -9.409 0.528 1.00 0.00 H new ATOM 891 N GLU B 19 4.797 -3.863 1.905 1.00 0.00 N ATOM 892 CA GLU B 19 5.046 -3.556 3.304 1.00 0.00 C ATOM 893 C GLU B 19 4.193 -2.364 3.745 1.00 0.00 C ATOM 894 O GLU B 19 3.622 -2.375 4.834 1.00 0.00 O ATOM 895 CB GLU B 19 6.533 -3.289 3.551 1.00 0.00 C ATOM 896 CG GLU B 19 7.376 -4.516 3.198 1.00 0.00 C ATOM 897 CD GLU B 19 8.639 -4.579 4.059 1.00 0.00 C ATOM 898 OE1 GLU B 19 9.239 -3.535 4.357 1.00 0.00 O ATOM 899 OE2 GLU B 19 8.992 -5.765 4.423 1.00 0.00 O ATOM 0 H GLU B 19 5.612 -3.777 1.298 1.00 0.00 H new ATOM 0 HA GLU B 19 4.763 -4.422 3.902 1.00 0.00 H new ATOM 0 HB2 GLU B 19 6.857 -2.437 2.954 1.00 0.00 H new ATOM 0 HB3 GLU B 19 6.690 -3.024 4.597 1.00 0.00 H new ATOM 0 HG2 GLU B 19 6.786 -5.421 3.344 1.00 0.00 H new ATOM 0 HG3 GLU B 19 7.651 -4.482 2.144 1.00 0.00 H new ATOM 907 N GLN B 20 4.137 -1.365 2.877 1.00 0.00 N ATOM 908 CA GLN B 20 3.364 -0.168 3.163 1.00 0.00 C ATOM 909 C GLN B 20 1.870 -0.497 3.202 1.00 0.00 C ATOM 910 O GLN B 20 1.113 0.124 3.947 1.00 0.00 O ATOM 911 CB GLN B 20 3.656 0.931 2.141 1.00 0.00 C ATOM 912 CG GLN B 20 2.540 1.978 2.126 1.00 0.00 C ATOM 913 CD GLN B 20 2.977 3.234 1.370 1.00 0.00 C ATOM 914 OE1 GLN B 20 4.132 3.407 1.017 1.00 0.00 O ATOM 915 NE2 GLN B 20 1.993 4.099 1.143 1.00 0.00 N ATOM 0 H GLN B 20 4.614 -1.360 1.975 1.00 0.00 H new ATOM 0 HA GLN B 20 3.660 0.205 4.143 1.00 0.00 H new ATOM 0 HB2 GLN B 20 4.606 1.410 2.379 1.00 0.00 H new ATOM 0 HB3 GLN B 20 3.760 0.491 1.149 1.00 0.00 H new ATOM 0 HG2 GLN B 20 1.649 1.559 1.658 1.00 0.00 H new ATOM 0 HG3 GLN B 20 2.269 2.241 3.149 1.00 0.00 H new ATOM 0 HE21 GLN B 20 1.048 3.892 1.466 1.00 0.00 H new ATOM 0 HE22 GLN B 20 2.183 4.969 0.646 1.00 0.00 H new ATOM 924 N ASN B 21 1.490 -1.474 2.392 1.00 0.00 N ATOM 925 CA ASN B 21 0.101 -1.894 2.324 1.00 0.00 C ATOM 926 C ASN B 21 -0.322 -2.460 3.682 1.00 0.00 C ATOM 927 O ASN B 21 -1.329 -2.038 4.247 1.00 0.00 O ATOM 928 CB ASN B 21 -0.093 -2.988 1.273 1.00 0.00 C ATOM 929 CG ASN B 21 -0.469 -2.387 -0.082 1.00 0.00 C ATOM 930 OD1 ASN B 21 -1.615 -2.396 -0.498 1.00 0.00 O ATOM 931 ND2 ASN B 21 0.559 -1.865 -0.746 1.00 0.00 N ATOM 0 H ASN B 21 2.121 -1.987 1.776 1.00 0.00 H new ATOM 0 HA ASN B 21 -0.502 -1.027 2.055 1.00 0.00 H new ATOM 0 HB2 ASN B 21 0.824 -3.569 1.175 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -0.873 -3.676 1.599 1.00 0.00 H new ATOM 0 HD21 ASN B 21 0.412 -1.439 -1.661 1.00 0.00 H new ATOM 0 HD22 ASN B 21 1.494 -1.891 -0.340 1.00 0.00 H new ATOM 938 N TYR B 22 0.467 -3.409 4.163 1.00 0.00 N ATOM 939 CA TYR B 22 0.187 -4.037 5.443 1.00 0.00 C ATOM 940 C TYR B 22 0.427 -3.062 6.597 1.00 0.00 C ATOM 941 O TYR B 22 -0.157 -3.209 7.670 1.00 0.00 O ATOM 942 CB TYR B 22 1.170 -5.204 5.564 1.00 0.00 C ATOM 943 CG TYR B 22 0.651 -6.368 6.409 1.00 0.00 C ATOM 944 CD1 TYR B 22 -0.600 -6.897 6.163 1.00 0.00 C ATOM 945 CD2 TYR B 22 1.434 -6.893 7.417 1.00 0.00 C ATOM 946 CE1 TYR B 22 -1.089 -7.993 6.957 1.00 0.00 C ATOM 947 CE2 TYR B 22 0.945 -7.989 8.213 1.00 0.00 C ATOM 948 CZ TYR B 22 -0.292 -8.486 7.942 1.00 0.00 C ATOM 949 OH TYR B 22 -0.753 -9.522 8.694 1.00 0.00 O ATOM 0 H TYR B 22 1.300 -3.758 3.690 1.00 0.00 H new ATOM 0 HA TYR B 22 -0.853 -4.359 5.493 1.00 0.00 H new ATOM 0 HB2 TYR B 22 1.408 -5.571 4.565 1.00 0.00 H new ATOM 0 HB3 TYR B 22 2.100 -4.839 5.999 1.00 0.00 H new ATOM 0 HD1 TYR B 22 -1.213 -6.488 5.373 1.00 0.00 H new ATOM 0 HD2 TYR B 22 2.414 -6.482 7.609 1.00 0.00 H new ATOM 0 HE1 TYR B 22 -2.067 -8.414 6.775 1.00 0.00 H new ATOM 0 HE2 TYR B 22 1.546 -8.407 9.007 1.00 0.00 H new ATOM 0 HH TYR B 22 -0.077 -9.770 9.358 1.00 0.00 H new ATOM 959 N HIS B 23 1.287 -2.088 6.338 1.00 0.00 N ATOM 960 CA HIS B 23 1.610 -1.089 7.342 1.00 0.00 C ATOM 961 C HIS B 23 0.480 -0.061 7.428 1.00 0.00 C ATOM 962 O HIS B 23 0.139 0.402 8.515 1.00 0.00 O ATOM 963 CB HIS B 23 2.971 -0.449 7.054 1.00 0.00 C ATOM 964 CG HIS B 23 3.294 0.730 7.937 1.00 0.00 C ATOM 965 ND1 HIS B 23 3.286 0.657 9.320 1.00 0.00 N ATOM 966 CD2 HIS B 23 3.636 2.013 7.622 1.00 0.00 C ATOM 967 CE1 HIS B 23 3.609 1.847 9.804 1.00 0.00 C ATOM 968 NE2 HIS B 23 3.825 2.686 8.750 1.00 0.00 N ATOM 0 H HIS B 23 1.770 -1.970 5.447 1.00 0.00 H new ATOM 0 HA HIS B 23 1.696 -1.566 8.318 1.00 0.00 H new ATOM 0 HB2 HIS B 23 3.748 -1.204 7.174 1.00 0.00 H new ATOM 0 HB3 HIS B 23 2.997 -0.128 6.013 1.00 0.00 H new ATOM 0 HD2 HIS B 23 3.736 2.413 6.624 1.00 0.00 H new ATOM 0 HE1 HIS B 23 3.688 2.107 10.849 1.00 0.00 H new ATOM 0 HE2 HIS B 23 4.088 3.669 8.818 1.00 0.00 H new ATOM 976 N LEU B 24 -0.071 0.263 6.267 1.00 0.00 N ATOM 977 CA LEU B 24 -1.156 1.227 6.197 1.00 0.00 C ATOM 978 C LEU B 24 -2.463 0.547 6.610 1.00 0.00 C ATOM 979 O LEU B 24 -3.354 1.191 7.161 1.00 0.00 O ATOM 980 CB LEU B 24 -1.210 1.874 4.812 1.00 0.00 C ATOM 981 CG LEU B 24 -0.552 3.250 4.688 1.00 0.00 C ATOM 982 CD1 LEU B 24 0.916 3.196 5.117 1.00 0.00 C ATOM 983 CD2 LEU B 24 -0.716 3.810 3.274 1.00 0.00 C ATOM 0 H LEU B 24 0.214 -0.125 5.368 1.00 0.00 H new ATOM 0 HA LEU B 24 -0.986 2.044 6.898 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -0.734 1.200 4.099 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -2.255 1.965 4.516 1.00 0.00 H new ATOM 0 HG LEU B 24 -1.061 3.935 5.366 1.00 0.00 H new ATOM 0 HD11 LEU B 24 1.360 4.187 5.019 1.00 0.00 H new ATOM 0 HD12 LEU B 24 0.980 2.870 6.155 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.455 2.493 4.482 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -0.240 4.788 3.213 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -0.249 3.133 2.558 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.777 3.908 3.042 1.00 0.00 H new ATOM 995 N GLU B 25 -2.535 -0.745 6.327 1.00 0.00 N ATOM 996 CA GLU B 25 -3.718 -1.520 6.662 1.00 0.00 C ATOM 997 C GLU B 25 -3.796 -1.744 8.174 1.00 0.00 C ATOM 998 O GLU B 25 -4.881 -1.728 8.753 1.00 0.00 O ATOM 999 CB GLU B 25 -3.734 -2.851 5.908 1.00 0.00 C ATOM 1000 CG GLU B 25 -4.858 -3.756 6.417 1.00 0.00 C ATOM 1001 CD GLU B 25 -4.936 -5.046 5.599 1.00 0.00 C ATOM 1002 OE1 GLU B 25 -4.345 -5.127 4.511 1.00 0.00 O ATOM 1003 OE2 GLU B 25 -5.640 -5.987 6.130 1.00 0.00 O ATOM 0 H GLU B 25 -1.793 -1.275 5.869 1.00 0.00 H new ATOM 0 HA GLU B 25 -4.598 -0.955 6.353 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.865 -2.667 4.842 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -2.774 -3.353 6.030 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -4.689 -3.996 7.467 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -5.809 -3.227 6.360 1.00 0.00 H new ATOM 1011 N ASN B 26 -2.630 -1.950 8.769 1.00 0.00 N ATOM 1012 CA ASN B 26 -2.551 -2.178 10.202 1.00 0.00 C ATOM 1013 C ASN B 26 -2.638 -0.836 10.933 1.00 0.00 C ATOM 1014 O ASN B 26 -3.111 -0.773 12.067 1.00 0.00 O ATOM 1015 CB ASN B 26 -1.225 -2.839 10.583 1.00 0.00 C ATOM 1016 CG ASN B 26 -1.227 -4.323 10.214 1.00 0.00 C ATOM 1017 OD1 ASN B 26 -2.256 -4.922 9.947 1.00 0.00 O ATOM 1018 ND2 ASN B 26 -0.020 -4.883 10.215 1.00 0.00 N ATOM 0 H ASN B 26 -1.732 -1.964 8.285 1.00 0.00 H new ATOM 0 HA ASN B 26 -3.375 -2.834 10.485 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -0.404 -2.335 10.074 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -1.053 -2.727 11.653 1.00 0.00 H new ATOM 0 HD21 ASN B 26 0.084 -5.871 9.983 1.00 0.00 H new ATOM 0 HD22 ASN B 26 0.801 -4.325 10.448 1.00 0.00 H new ATOM 1025 N GLU B 27 -2.173 0.203 10.255 1.00 0.00 N ATOM 1026 CA GLU B 27 -2.192 1.538 10.825 1.00 0.00 C ATOM 1027 C GLU B 27 -3.628 2.060 10.907 1.00 0.00 C ATOM 1028 O GLU B 27 -4.027 2.636 11.918 1.00 0.00 O ATOM 1029 CB GLU B 27 -1.308 2.492 10.019 1.00 0.00 C ATOM 1030 CG GLU B 27 -1.064 3.793 10.786 1.00 0.00 C ATOM 1031 CD GLU B 27 -2.091 4.859 10.396 1.00 0.00 C ATOM 1032 OE1 GLU B 27 -3.139 4.976 11.047 1.00 0.00 O ATOM 1033 OE2 GLU B 27 -1.767 5.582 9.378 1.00 0.00 O ATOM 0 H GLU B 27 -1.781 0.146 9.315 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.786 1.485 11.835 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -0.355 2.011 9.798 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -1.782 2.713 9.063 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -1.120 3.604 11.858 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -0.058 4.159 10.579 1.00 0.00 H new ATOM 1041 N VAL B 28 -4.366 1.838 9.830 1.00 0.00 N ATOM 1042 CA VAL B 28 -5.750 2.279 9.767 1.00 0.00 C ATOM 1043 C VAL B 28 -6.586 1.464 10.755 1.00 0.00 C ATOM 1044 O VAL B 28 -7.292 2.029 11.590 1.00 0.00 O ATOM 1045 CB VAL B 28 -6.264 2.185 8.329 1.00 0.00 C ATOM 1046 CG1 VAL B 28 -5.311 2.883 7.358 1.00 0.00 C ATOM 1047 CG2 VAL B 28 -6.491 0.727 7.922 1.00 0.00 C ATOM 0 H VAL B 28 -4.033 1.359 8.994 1.00 0.00 H new ATOM 0 HA VAL B 28 -5.831 3.326 10.059 1.00 0.00 H new ATOM 0 HB VAL B 28 -7.224 2.699 8.283 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -5.701 2.801 6.343 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -5.222 3.935 7.628 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -4.330 2.411 7.409 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -6.856 0.688 6.896 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -5.552 0.179 7.994 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -7.227 0.274 8.586 1.00 0.00 H new ATOM 1057 N ALA B 29 -6.477 0.150 10.630 1.00 0.00 N ATOM 1058 CA ALA B 29 -7.215 -0.748 11.502 1.00 0.00 C ATOM 1059 C ALA B 29 -7.022 -0.313 12.956 1.00 0.00 C ATOM 1060 O ALA B 29 -7.993 -0.152 13.694 1.00 0.00 O ATOM 1061 CB ALA B 29 -6.755 -2.188 11.260 1.00 0.00 C ATOM 0 H ALA B 29 -5.889 -0.315 9.938 1.00 0.00 H new ATOM 0 HA ALA B 29 -8.282 -0.704 11.283 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -7.309 -2.862 11.914 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -6.939 -2.459 10.220 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.689 -2.270 11.473 1.00 0.00 H new ATOM 1067 N ARG B 30 -5.762 -0.133 13.324 1.00 0.00 N ATOM 1068 CA ARG B 30 -5.430 0.282 14.677 1.00 0.00 C ATOM 1069 C ARG B 30 -5.865 1.730 14.910 1.00 0.00 C ATOM 1070 O ARG B 30 -6.199 2.109 16.033 1.00 0.00 O ATOM 1071 CB ARG B 30 -3.927 0.159 14.938 1.00 0.00 C ATOM 1072 CG ARG B 30 -3.657 -0.397 16.337 1.00 0.00 C ATOM 1073 CD ARG B 30 -2.161 -0.631 16.555 1.00 0.00 C ATOM 1074 NE ARG B 30 -1.924 -1.161 17.917 1.00 0.00 N ATOM 1075 CZ ARG B 30 -2.084 -0.440 19.047 1.00 0.00 C ATOM 1076 NH1 ARG B 30 -2.484 0.848 18.987 1.00 0.00 N ATOM 1077 NH2 ARG B 30 -1.845 -1.014 20.211 1.00 0.00 N ATOM 0 H ARG B 30 -4.959 -0.267 12.709 1.00 0.00 H new ATOM 0 HA ARG B 30 -5.961 -0.375 15.365 1.00 0.00 H new ATOM 0 HB2 ARG B 30 -3.477 -0.494 14.190 1.00 0.00 H new ATOM 0 HB3 ARG B 30 -3.455 1.136 14.834 1.00 0.00 H new ATOM 0 HG2 ARG B 30 -4.033 0.298 17.087 1.00 0.00 H new ATOM 0 HG3 ARG B 30 -4.198 -1.334 16.471 1.00 0.00 H new ATOM 0 HD2 ARG B 30 -1.782 -1.333 15.812 1.00 0.00 H new ATOM 0 HD3 ARG B 30 -1.615 0.303 16.419 1.00 0.00 H new ATOM 0 HE ARG B 30 -1.621 -2.131 18.007 1.00 0.00 H new ATOM 0 HH11 ARG B 30 -2.668 1.283 18.083 1.00 0.00 H new ATOM 0 HH12 ARG B 30 -2.602 1.386 19.846 1.00 0.00 H new ATOM 0 HH21 ARG B 30 -1.544 -1.988 20.247 1.00 0.00 H new ATOM 0 HH22 ARG B 30 -1.961 -0.484 21.075 1.00 0.00 H new ATOM 1090 N LEU B 31 -5.846 2.500 13.833 1.00 0.00 N ATOM 1091 CA LEU B 31 -6.233 3.899 13.906 1.00 0.00 C ATOM 1092 C LEU B 31 -7.672 3.999 14.418 1.00 0.00 C ATOM 1093 O LEU B 31 -7.943 4.712 15.384 1.00 0.00 O ATOM 1094 CB LEU B 31 -6.011 4.588 12.557 1.00 0.00 C ATOM 1095 CG LEU B 31 -6.499 6.034 12.456 1.00 0.00 C ATOM 1096 CD1 LEU B 31 -5.642 6.964 13.317 1.00 0.00 C ATOM 1097 CD2 LEU B 31 -6.553 6.493 10.997 1.00 0.00 C ATOM 0 H LEU B 31 -5.569 2.182 12.904 1.00 0.00 H new ATOM 0 HA LEU B 31 -5.603 4.432 14.618 1.00 0.00 H new ATOM 0 HB2 LEU B 31 -4.945 4.569 12.332 1.00 0.00 H new ATOM 0 HB3 LEU B 31 -6.510 4.002 11.785 1.00 0.00 H new ATOM 0 HG LEU B 31 -7.516 6.079 12.847 1.00 0.00 H new ATOM 0 HD11 LEU B 31 -6.011 7.986 13.227 1.00 0.00 H new ATOM 0 HD12 LEU B 31 -5.697 6.649 14.359 1.00 0.00 H new ATOM 0 HD13 LEU B 31 -4.606 6.921 12.979 1.00 0.00 H new ATOM 0 HD21 LEU B 31 -6.903 7.524 10.953 1.00 0.00 H new ATOM 0 HD22 LEU B 31 -5.557 6.429 10.558 1.00 0.00 H new ATOM 0 HD23 LEU B 31 -7.237 5.853 10.439 1.00 0.00 H new ATOM 1109 N LYS B 32 -8.556 3.274 13.748 1.00 0.00 N ATOM 1110 CA LYS B 32 -9.960 3.272 14.124 1.00 0.00 C ATOM 1111 C LYS B 32 -10.104 2.714 15.541 1.00 0.00 C ATOM 1112 O LYS B 32 -10.680 3.363 16.413 1.00 0.00 O ATOM 1113 CB LYS B 32 -10.793 2.525 13.080 1.00 0.00 C ATOM 1114 CG LYS B 32 -10.368 2.909 11.662 1.00 0.00 C ATOM 1115 CD LYS B 32 -10.047 1.667 10.829 1.00 0.00 C ATOM 1116 CE LYS B 32 -9.503 2.055 9.453 1.00 0.00 C ATOM 1117 NZ LYS B 32 -10.428 1.612 8.386 1.00 0.00 N ATOM 0 H LYS B 32 -8.328 2.684 12.948 1.00 0.00 H new ATOM 0 HA LYS B 32 -10.351 4.289 14.141 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -10.678 1.450 13.219 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -11.849 2.754 13.221 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -11.164 3.477 11.181 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -9.494 3.559 11.704 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -9.315 1.052 11.353 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -10.946 1.062 10.711 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -9.368 3.135 9.400 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -8.522 1.604 9.303 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -10.276 2.188 7.534 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -10.249 0.612 8.164 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -11.410 1.724 8.709 1.00 0.00 H new ATOM 1130 N LYS B 33 -9.571 1.515 15.727 1.00 0.00 N ATOM 1131 CA LYS B 33 -9.632 0.861 17.023 1.00 0.00 C ATOM 1132 C LYS B 33 -9.258 1.865 18.115 1.00 0.00 C ATOM 1133 O LYS B 33 -10.002 2.047 19.077 1.00 0.00 O ATOM 1134 CB LYS B 33 -8.769 -0.402 17.027 1.00 0.00 C ATOM 1135 CG LYS B 33 -9.047 -1.252 18.270 1.00 0.00 C ATOM 1136 CD LYS B 33 -8.216 -2.536 18.252 1.00 0.00 C ATOM 1137 CE LYS B 33 -8.763 -3.529 17.226 1.00 0.00 C ATOM 1138 NZ LYS B 33 -7.668 -4.065 16.388 1.00 0.00 N ATOM 0 H LYS B 33 -9.095 0.979 15.001 1.00 0.00 H new ATOM 0 HA LYS B 33 -10.648 0.526 17.233 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -8.970 -0.987 16.130 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -7.715 -0.127 16.999 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -8.816 -0.678 19.167 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -10.107 -1.501 18.315 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -7.179 -2.299 18.016 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -8.222 -2.991 19.243 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -9.271 -4.347 17.738 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -9.504 -3.038 16.596 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -8.057 -4.738 15.697 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -7.201 -3.283 15.885 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -6.975 -4.551 16.992 1.00 0.00 H new ATOM 1151 N LEU B 34 -8.106 2.494 17.927 1.00 0.00 N ATOM 1152 CA LEU B 34 -7.625 3.475 18.883 1.00 0.00 C ATOM 1153 C LEU B 34 -8.647 4.608 19.003 1.00 0.00 C ATOM 1154 O LEU B 34 -8.781 5.219 20.063 1.00 0.00 O ATOM 1155 CB LEU B 34 -6.221 3.951 18.503 1.00 0.00 C ATOM 1156 CG LEU B 34 -5.308 4.342 19.666 1.00 0.00 C ATOM 1157 CD1 LEU B 34 -4.430 3.164 20.093 1.00 0.00 C ATOM 1158 CD2 LEU B 34 -4.477 5.579 19.319 1.00 0.00 C ATOM 0 H LEU B 34 -7.493 2.342 17.126 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.528 3.027 19.872 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -5.733 3.160 17.934 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.317 4.809 17.838 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.934 4.604 20.519 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.790 3.468 20.921 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -5.063 2.334 20.409 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.811 2.849 19.253 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.837 5.836 20.163 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.860 5.369 18.446 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.142 6.415 19.101 1.00 0.00 H new ATOM 1170 N VAL B 35 -9.341 4.854 17.902 1.00 0.00 N ATOM 1171 CA VAL B 35 -10.346 5.903 17.870 1.00 0.00 C ATOM 1172 C VAL B 35 -11.691 5.328 18.315 1.00 0.00 C ATOM 1173 O VAL B 35 -11.998 5.306 19.507 1.00 0.00 O ATOM 1174 CB VAL B 35 -10.398 6.536 16.478 1.00 0.00 C ATOM 1175 CG1 VAL B 35 -11.563 7.521 16.366 1.00 0.00 C ATOM 1176 CG2 VAL B 35 -9.070 7.214 16.133 1.00 0.00 C ATOM 0 H VAL B 35 -9.227 4.345 17.025 1.00 0.00 H new ATOM 0 HA VAL B 35 -10.087 6.701 18.566 1.00 0.00 H new ATOM 0 HB VAL B 35 -10.564 5.738 15.754 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -11.577 7.956 15.367 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -12.501 6.997 16.546 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -11.442 8.313 17.105 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -9.134 7.656 15.139 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -8.859 7.995 16.864 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -8.269 6.475 16.151 1.00 0.00 H new