USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 571 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 58 GLN : amide:sc= 0.0545 K(o=0.38,f=-7.5!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ -112:sc= 0.329 (180deg=0) USER MOD Single : A 6 SER OG : rot -128:sc= -1.11 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0565! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.323 K(o=-0.32,f=-10!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -6.44! C(o=-6.4!,f=-13!) USER MOD Single : A 37 SER OG : rot 54:sc= 1.17 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 41:sc= -1.66! USER MOD Single : A 50 THR OG1 : rot -68:sc= -0.54 USER MOD Single : A 57 THR OG1 : rot 113:sc= -3.67! USER MOD Single : A 62 ASN : amide:sc= -1.97! C(o=-2!,f=-8.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -4.24! USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 10.547 9.649 -6.733 1.00 0.00 N ATOM 57 CA VAL A 5 9.077 9.437 -6.832 1.00 0.00 C ATOM 58 C VAL A 5 8.802 8.333 -7.853 1.00 0.00 C ATOM 59 O VAL A 5 9.561 8.135 -8.780 1.00 0.00 O ATOM 60 CB VAL A 5 8.405 10.738 -7.264 1.00 0.00 C ATOM 61 CG1 VAL A 5 6.943 10.723 -6.822 1.00 0.00 C ATOM 62 CG2 VAL A 5 9.121 11.913 -6.597 1.00 0.00 C ATOM 0 HA VAL A 5 8.675 9.139 -5.864 1.00 0.00 H new ATOM 0 HB VAL A 5 8.457 10.839 -8.348 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.461 11.651 -7.129 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.432 9.878 -7.284 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.892 10.629 -5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 5 8.648 12.847 -6.900 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.059 11.809 -5.514 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.168 11.921 -6.901 1.00 0.00 H new ATOM 72 N SER A 6 7.740 7.592 -7.683 1.00 0.00 N ATOM 73 CA SER A 6 7.454 6.480 -8.635 1.00 0.00 C ATOM 74 C SER A 6 6.398 6.881 -9.664 1.00 0.00 C ATOM 75 O SER A 6 5.245 7.088 -9.341 1.00 0.00 O ATOM 76 CB SER A 6 6.937 5.270 -7.854 1.00 0.00 C ATOM 77 OG SER A 6 7.130 5.497 -6.464 1.00 0.00 O ATOM 0 H SER A 6 7.061 7.707 -6.930 1.00 0.00 H new ATOM 0 HA SER A 6 8.379 6.240 -9.160 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.880 5.109 -8.066 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.465 4.368 -8.165 1.00 0.00 H new ATOM 0 HG SER A 6 7.601 4.733 -6.070 1.00 0.00 H new ATOM 83 N LYS A 7 6.775 6.933 -10.913 1.00 0.00 N ATOM 84 CA LYS A 7 5.785 7.251 -11.977 1.00 0.00 C ATOM 85 C LYS A 7 5.120 5.929 -12.348 1.00 0.00 C ATOM 86 O LYS A 7 5.748 5.045 -12.902 1.00 0.00 O ATOM 87 CB LYS A 7 6.500 7.841 -13.197 1.00 0.00 C ATOM 88 CG LYS A 7 5.465 8.384 -14.184 1.00 0.00 C ATOM 89 CD LYS A 7 4.534 9.361 -13.462 1.00 0.00 C ATOM 90 CE LYS A 7 3.936 10.338 -14.476 1.00 0.00 C ATOM 91 NZ LYS A 7 2.662 10.895 -13.939 1.00 0.00 N ATOM 0 H LYS A 7 7.727 6.769 -11.241 1.00 0.00 H new ATOM 0 HA LYS A 7 5.052 7.983 -11.636 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.174 8.639 -12.886 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.111 7.077 -13.678 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.965 8.886 -15.012 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.888 7.563 -14.611 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.739 8.815 -12.954 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.085 9.907 -12.696 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.641 11.144 -14.679 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.752 9.829 -15.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.256 11.559 -14.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.990 10.120 -13.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.850 11.395 -13.047 1.00 0.00 H new ATOM 105 N LEU A 8 3.880 5.747 -11.997 1.00 0.00 N ATOM 106 CA LEU A 8 3.237 4.438 -12.286 1.00 0.00 C ATOM 107 C LEU A 8 2.166 4.537 -13.363 1.00 0.00 C ATOM 108 O LEU A 8 1.293 5.381 -13.332 1.00 0.00 O ATOM 109 CB LEU A 8 2.572 3.904 -11.010 1.00 0.00 C ATOM 110 CG LEU A 8 3.610 3.457 -9.965 1.00 0.00 C ATOM 111 CD1 LEU A 8 3.093 2.194 -9.273 1.00 0.00 C ATOM 112 CD2 LEU A 8 4.963 3.154 -10.620 1.00 0.00 C ATOM 0 H LEU A 8 3.291 6.436 -11.530 1.00 0.00 H new ATOM 0 HA LEU A 8 4.023 3.771 -12.641 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.936 4.678 -10.581 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.926 3.063 -11.262 1.00 0.00 H new ATOM 0 HG LEU A 8 3.753 4.263 -9.246 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.818 1.864 -8.529 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.143 2.410 -8.784 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.949 1.407 -10.013 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.675 2.841 -9.856 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.842 2.356 -11.352 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.335 4.050 -11.118 1.00 0.00 H new ATOM 124 N ARG A 9 2.200 3.609 -14.275 1.00 0.00 N ATOM 125 CA ARG A 9 1.163 3.539 -15.331 1.00 0.00 C ATOM 126 C ARG A 9 0.420 2.233 -15.073 1.00 0.00 C ATOM 127 O ARG A 9 0.940 1.160 -15.306 1.00 0.00 O ATOM 128 CB ARG A 9 1.816 3.511 -16.714 1.00 0.00 C ATOM 129 CG ARG A 9 2.706 4.744 -16.883 1.00 0.00 C ATOM 130 CD ARG A 9 3.326 4.737 -18.280 1.00 0.00 C ATOM 131 NE ARG A 9 4.606 5.500 -18.260 1.00 0.00 N ATOM 132 CZ ARG A 9 5.288 5.657 -19.361 1.00 0.00 C ATOM 133 NH1 ARG A 9 4.667 5.765 -20.504 1.00 0.00 N ATOM 134 NH2 ARG A 9 6.592 5.706 -19.320 1.00 0.00 N ATOM 0 H ARG A 9 2.916 2.885 -14.332 1.00 0.00 H new ATOM 0 HA ARG A 9 0.497 4.401 -15.308 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.408 2.603 -16.830 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.050 3.493 -17.489 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.120 5.651 -16.738 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.490 4.747 -16.126 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.506 3.712 -18.604 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.636 5.182 -18.998 1.00 0.00 H new ATOM 0 HE ARG A 9 4.949 5.899 -17.386 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.648 5.727 -20.537 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.200 5.888 -21.365 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.078 5.622 -18.427 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.125 5.829 -20.181 1.00 0.00 H new ATOM 148 N ILE A 10 -0.759 2.300 -14.531 1.00 0.00 N ATOM 149 CA ILE A 10 -1.475 1.039 -14.198 1.00 0.00 C ATOM 150 C ILE A 10 -2.622 0.797 -15.189 1.00 0.00 C ATOM 151 O ILE A 10 -3.541 1.573 -15.297 1.00 0.00 O ATOM 152 CB ILE A 10 -1.998 1.155 -12.760 1.00 0.00 C ATOM 153 CG1 ILE A 10 -0.937 1.854 -11.881 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.288 -0.237 -12.192 1.00 0.00 C ATOM 155 CD1 ILE A 10 -1.619 2.520 -10.695 1.00 0.00 C ATOM 0 H ILE A 10 -1.255 3.162 -14.305 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.799 0.187 -14.273 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.918 1.739 -12.763 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.203 1.128 -11.531 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.396 2.597 -12.467 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.659 -0.143 -11.171 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.040 -0.732 -12.807 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.372 -0.828 -12.193 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.871 3.013 -10.075 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.336 3.258 -11.055 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.140 1.766 -10.105 1.00 0.00 H new ATOM 167 N ARG A 11 -2.559 -0.277 -15.927 1.00 0.00 N ATOM 168 CA ARG A 11 -3.629 -0.572 -16.923 1.00 0.00 C ATOM 169 C ARG A 11 -4.861 -1.155 -16.232 1.00 0.00 C ATOM 170 O ARG A 11 -4.762 -1.864 -15.250 1.00 0.00 O ATOM 171 CB ARG A 11 -3.112 -1.597 -17.934 1.00 0.00 C ATOM 172 CG ARG A 11 -3.231 -1.030 -19.344 1.00 0.00 C ATOM 173 CD ARG A 11 -2.047 -0.107 -19.606 1.00 0.00 C ATOM 174 NE ARG A 11 -1.223 -0.655 -20.720 1.00 0.00 N ATOM 175 CZ ARG A 11 -1.802 -1.143 -21.782 1.00 0.00 C ATOM 176 NH1 ARG A 11 -1.666 -2.407 -22.077 1.00 0.00 N ATOM 177 NH2 ARG A 11 -2.514 -0.366 -22.552 1.00 0.00 N ATOM 0 H ARG A 11 -1.809 -0.967 -15.883 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.900 0.358 -17.423 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.073 -1.844 -17.717 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.683 -2.522 -17.854 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.248 -1.838 -20.075 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.167 -0.482 -19.452 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.401 0.892 -19.860 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.441 -0.011 -18.705 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.205 -0.648 -20.652 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.107 -3.013 -21.477 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.119 -2.788 -22.908 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.618 0.623 -22.323 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.967 -0.747 -23.383 1.00 0.00 H new ATOM 191 N THR A 12 -6.024 -0.872 -16.753 1.00 0.00 N ATOM 192 CA THR A 12 -7.269 -1.419 -16.149 1.00 0.00 C ATOM 193 C THR A 12 -7.843 -2.498 -17.075 1.00 0.00 C ATOM 194 O THR A 12 -7.280 -2.777 -18.115 1.00 0.00 O ATOM 195 CB THR A 12 -8.298 -0.300 -15.950 1.00 0.00 C ATOM 196 OG1 THR A 12 -9.303 -0.397 -16.951 1.00 0.00 O ATOM 197 CG2 THR A 12 -7.619 1.068 -16.040 1.00 0.00 C ATOM 0 H THR A 12 -6.164 -0.283 -17.574 1.00 0.00 H new ATOM 0 HA THR A 12 -7.038 -1.854 -15.177 1.00 0.00 H new ATOM 0 HB THR A 12 -8.749 -0.406 -14.963 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.962 0.317 -16.823 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.362 1.853 -15.897 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.855 1.146 -15.267 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.156 1.181 -17.020 1.00 0.00 H new ATOM 205 N PRO A 13 -8.943 -3.080 -16.668 1.00 0.00 N ATOM 206 CA PRO A 13 -9.610 -4.139 -17.444 1.00 0.00 C ATOM 207 C PRO A 13 -10.396 -3.531 -18.607 1.00 0.00 C ATOM 208 O PRO A 13 -10.898 -4.232 -19.463 1.00 0.00 O ATOM 209 CB PRO A 13 -10.544 -4.797 -16.425 1.00 0.00 C ATOM 210 CG PRO A 13 -10.781 -3.752 -15.309 1.00 0.00 C ATOM 211 CD PRO A 13 -9.627 -2.736 -15.403 1.00 0.00 C ATOM 0 HA PRO A 13 -8.915 -4.850 -17.892 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.485 -5.087 -16.892 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.097 -5.704 -16.019 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.744 -3.258 -15.440 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.798 -4.229 -14.329 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.999 -1.711 -15.417 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.953 -2.819 -14.550 1.00 0.00 H new ATOM 219 N SER A 14 -10.500 -2.232 -18.649 1.00 0.00 N ATOM 220 CA SER A 14 -11.245 -1.581 -19.762 1.00 0.00 C ATOM 221 C SER A 14 -10.248 -0.954 -20.740 1.00 0.00 C ATOM 222 O SER A 14 -10.625 -0.307 -21.696 1.00 0.00 O ATOM 223 CB SER A 14 -12.160 -0.492 -19.198 1.00 0.00 C ATOM 224 OG SER A 14 -13.514 -0.905 -19.325 1.00 0.00 O ATOM 0 H SER A 14 -10.101 -1.593 -17.961 1.00 0.00 H new ATOM 0 HA SER A 14 -11.848 -2.326 -20.282 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.921 -0.306 -18.151 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.002 0.445 -19.732 1.00 0.00 H new ATOM 0 HG SER A 14 -14.103 -0.211 -18.963 1.00 0.00 H new ATOM 230 N GLY A 15 -8.975 -1.143 -20.509 1.00 0.00 N ATOM 231 CA GLY A 15 -7.957 -0.560 -21.426 1.00 0.00 C ATOM 232 C GLY A 15 -7.632 0.868 -20.988 1.00 0.00 C ATOM 233 O GLY A 15 -7.180 1.679 -21.771 1.00 0.00 O ATOM 0 H GLY A 15 -8.599 -1.676 -19.725 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.053 -1.169 -21.417 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.331 -0.561 -22.450 1.00 0.00 H new ATOM 237 N GLU A 16 -7.862 1.186 -19.743 1.00 0.00 N ATOM 238 CA GLU A 16 -7.566 2.566 -19.265 1.00 0.00 C ATOM 239 C GLU A 16 -6.206 2.591 -18.565 1.00 0.00 C ATOM 240 O GLU A 16 -5.634 1.563 -18.254 1.00 0.00 O ATOM 241 CB GLU A 16 -8.655 3.015 -18.287 1.00 0.00 C ATOM 242 CG GLU A 16 -9.342 4.269 -18.830 1.00 0.00 C ATOM 243 CD GLU A 16 -10.691 3.889 -19.446 1.00 0.00 C ATOM 244 OE1 GLU A 16 -11.031 2.718 -19.402 1.00 0.00 O ATOM 245 OE2 GLU A 16 -11.361 4.775 -19.949 1.00 0.00 O ATOM 0 H GLU A 16 -8.241 0.552 -19.039 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.543 3.244 -20.118 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.386 2.218 -18.149 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.219 3.221 -17.310 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.488 4.992 -18.028 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.710 4.747 -19.579 1.00 0.00 H new ATOM 252 N PHE A 17 -5.684 3.763 -18.327 1.00 0.00 N ATOM 253 CA PHE A 17 -4.355 3.879 -17.661 1.00 0.00 C ATOM 254 C PHE A 17 -4.489 4.705 -16.378 1.00 0.00 C ATOM 255 O PHE A 17 -4.901 5.847 -16.412 1.00 0.00 O ATOM 256 CB PHE A 17 -3.399 4.624 -18.599 1.00 0.00 C ATOM 257 CG PHE A 17 -2.359 3.694 -19.182 1.00 0.00 C ATOM 258 CD1 PHE A 17 -1.354 3.150 -18.368 1.00 0.00 C ATOM 259 CD2 PHE A 17 -2.382 3.402 -20.552 1.00 0.00 C ATOM 260 CE1 PHE A 17 -0.379 2.313 -18.925 1.00 0.00 C ATOM 261 CE2 PHE A 17 -1.404 2.569 -21.109 1.00 0.00 C ATOM 262 CZ PHE A 17 -0.402 2.025 -20.295 1.00 0.00 C ATOM 0 H PHE A 17 -6.124 4.651 -18.567 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.981 2.882 -17.428 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.967 5.088 -19.405 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.905 5.428 -18.053 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.332 3.377 -17.312 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.155 3.820 -21.179 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.391 1.889 -18.297 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.422 2.346 -22.166 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.353 1.383 -20.724 1.00 0.00 H new ATOM 272 N LEU A 18 -4.097 4.170 -15.253 1.00 0.00 N ATOM 273 CA LEU A 18 -4.160 4.974 -14.004 1.00 0.00 C ATOM 274 C LEU A 18 -2.792 5.608 -13.826 1.00 0.00 C ATOM 275 O LEU A 18 -1.840 4.955 -13.431 1.00 0.00 O ATOM 276 CB LEU A 18 -4.450 4.113 -12.768 1.00 0.00 C ATOM 277 CG LEU A 18 -5.812 3.430 -12.872 1.00 0.00 C ATOM 278 CD1 LEU A 18 -6.894 4.441 -13.275 1.00 0.00 C ATOM 279 CD2 LEU A 18 -5.720 2.317 -13.905 1.00 0.00 C ATOM 0 H LEU A 18 -3.740 3.221 -15.147 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.965 5.704 -14.092 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.671 3.359 -12.657 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.421 4.736 -11.874 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.086 3.014 -11.902 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.857 3.935 -13.344 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.952 5.230 -12.526 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.643 4.876 -14.242 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.686 1.819 -13.991 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.442 2.739 -14.871 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.966 1.594 -13.595 1.00 0.00 H new ATOM 291 N GLU A 19 -2.681 6.862 -14.124 1.00 0.00 N ATOM 292 CA GLU A 19 -1.367 7.540 -13.971 1.00 0.00 C ATOM 293 C GLU A 19 -1.220 7.946 -12.512 1.00 0.00 C ATOM 294 O GLU A 19 -2.034 8.672 -11.977 1.00 0.00 O ATOM 295 CB GLU A 19 -1.309 8.779 -14.869 1.00 0.00 C ATOM 296 CG GLU A 19 -0.732 8.396 -16.233 1.00 0.00 C ATOM 297 CD GLU A 19 -0.730 9.622 -17.148 1.00 0.00 C ATOM 298 OE1 GLU A 19 0.188 10.418 -17.038 1.00 0.00 O ATOM 299 OE2 GLU A 19 -1.647 9.744 -17.944 1.00 0.00 O ATOM 0 H GLU A 19 -3.440 7.451 -14.467 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.558 6.871 -14.262 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.307 9.200 -14.990 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.692 9.549 -14.405 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.282 8.014 -16.117 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.324 7.597 -16.679 1.00 0.00 H new ATOM 306 N ARG A 20 -0.213 7.462 -11.847 1.00 0.00 N ATOM 307 CA ARG A 20 -0.067 7.806 -10.412 1.00 0.00 C ATOM 308 C ARG A 20 1.385 8.113 -10.063 1.00 0.00 C ATOM 309 O ARG A 20 2.272 7.306 -10.264 1.00 0.00 O ATOM 310 CB ARG A 20 -0.536 6.617 -9.580 1.00 0.00 C ATOM 311 CG ARG A 20 -1.053 7.105 -8.230 1.00 0.00 C ATOM 312 CD ARG A 20 -2.226 8.064 -8.444 1.00 0.00 C ATOM 313 NE ARG A 20 -1.729 9.469 -8.437 1.00 0.00 N ATOM 314 CZ ARG A 20 -2.536 10.449 -8.743 1.00 0.00 C ATOM 315 NH1 ARG A 20 -3.344 10.335 -9.761 1.00 0.00 N ATOM 316 NH2 ARG A 20 -2.533 11.543 -8.032 1.00 0.00 N ATOM 0 H ARG A 20 0.507 6.850 -12.230 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.665 8.693 -10.201 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.323 6.079 -10.109 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.286 5.916 -9.434 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.370 6.257 -7.623 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.255 7.607 -7.684 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.719 7.846 -9.392 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.970 7.926 -7.659 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.758 9.665 -8.193 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.345 9.480 -10.318 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.974 11.100 -10.000 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.900 11.633 -7.237 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.163 12.308 -8.271 1.00 0.00 H new ATOM 330 N ARG A 21 1.624 9.259 -9.493 1.00 0.00 N ATOM 331 CA ARG A 21 3.004 9.609 -9.074 1.00 0.00 C ATOM 332 C ARG A 21 3.077 9.390 -7.565 1.00 0.00 C ATOM 333 O ARG A 21 2.332 9.982 -6.811 1.00 0.00 O ATOM 334 CB ARG A 21 3.292 11.076 -9.403 1.00 0.00 C ATOM 335 CG ARG A 21 4.611 11.495 -8.751 1.00 0.00 C ATOM 336 CD ARG A 21 4.827 12.995 -8.960 1.00 0.00 C ATOM 337 NE ARG A 21 4.599 13.335 -10.393 1.00 0.00 N ATOM 338 CZ ARG A 21 4.083 14.490 -10.716 1.00 0.00 C ATOM 339 NH1 ARG A 21 4.250 15.521 -9.934 1.00 0.00 N ATOM 340 NH2 ARG A 21 3.400 14.613 -11.821 1.00 0.00 N ATOM 0 H ARG A 21 0.919 9.970 -9.299 1.00 0.00 H new ATOM 0 HA ARG A 21 3.739 8.995 -9.595 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.348 11.213 -10.483 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.479 11.707 -9.043 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.592 11.264 -7.686 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.438 10.933 -9.185 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.145 13.563 -8.327 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.839 13.272 -8.666 1.00 0.00 H new ATOM 0 HE ARG A 21 4.846 12.665 -11.122 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.784 15.425 -9.070 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.847 16.423 -10.187 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.269 13.807 -12.432 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.997 15.515 -12.074 1.00 0.00 H new ATOM 354 N PHE A 22 3.938 8.525 -7.114 1.00 0.00 N ATOM 355 CA PHE A 22 4.005 8.264 -5.650 1.00 0.00 C ATOM 356 C PHE A 22 5.322 8.742 -5.069 1.00 0.00 C ATOM 357 O PHE A 22 6.376 8.529 -5.633 1.00 0.00 O ATOM 358 CB PHE A 22 3.935 6.765 -5.380 1.00 0.00 C ATOM 359 CG PHE A 22 2.727 6.149 -6.018 1.00 0.00 C ATOM 360 CD1 PHE A 22 1.451 6.475 -5.559 1.00 0.00 C ATOM 361 CD2 PHE A 22 2.892 5.228 -7.058 1.00 0.00 C ATOM 362 CE1 PHE A 22 0.335 5.884 -6.148 1.00 0.00 C ATOM 363 CE2 PHE A 22 1.775 4.638 -7.646 1.00 0.00 C ATOM 364 CZ PHE A 22 0.496 4.968 -7.192 1.00 0.00 C ATOM 0 H PHE A 22 4.592 7.992 -7.687 1.00 0.00 H new ATOM 0 HA PHE A 22 3.169 8.794 -5.194 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.835 6.283 -5.761 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.910 6.588 -4.305 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.329 7.182 -4.751 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.883 4.975 -7.404 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.656 6.134 -5.798 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.898 3.928 -8.450 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.371 4.514 -7.649 1.00 0.00 H new ATOM 374 N LEU A 23 5.281 9.315 -3.903 1.00 0.00 N ATOM 375 CA LEU A 23 6.546 9.719 -3.258 1.00 0.00 C ATOM 376 C LEU A 23 7.244 8.421 -2.868 1.00 0.00 C ATOM 377 O LEU A 23 6.634 7.531 -2.326 1.00 0.00 O ATOM 378 CB LEU A 23 6.254 10.551 -2.008 1.00 0.00 C ATOM 379 CG LEU A 23 5.348 11.727 -2.377 1.00 0.00 C ATOM 380 CD1 LEU A 23 4.953 12.485 -1.109 1.00 0.00 C ATOM 381 CD2 LEU A 23 6.099 12.669 -3.320 1.00 0.00 C ATOM 0 H LEU A 23 4.432 9.518 -3.376 1.00 0.00 H new ATOM 0 HA LEU A 23 7.162 10.326 -3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.773 9.932 -1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.185 10.917 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 23 4.451 11.354 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.307 13.323 -1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.420 11.814 -0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.849 12.859 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.456 13.508 -3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.995 13.041 -2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.382 12.130 -4.224 1.00 0.00 H new ATOM 393 N ALA A 24 8.494 8.279 -3.171 1.00 0.00 N ATOM 394 CA ALA A 24 9.191 7.000 -2.832 1.00 0.00 C ATOM 395 C ALA A 24 8.797 6.517 -1.425 1.00 0.00 C ATOM 396 O ALA A 24 8.874 5.337 -1.121 1.00 0.00 O ATOM 397 CB ALA A 24 10.700 7.227 -2.898 1.00 0.00 C ATOM 0 H ALA A 24 9.069 8.982 -3.636 1.00 0.00 H new ATOM 0 HA ALA A 24 8.896 6.233 -3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.218 6.300 -2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.977 7.542 -3.904 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.983 8.001 -2.185 1.00 0.00 H new ATOM 403 N SER A 25 8.374 7.406 -0.567 1.00 0.00 N ATOM 404 CA SER A 25 7.977 6.987 0.811 1.00 0.00 C ATOM 405 C SER A 25 6.458 6.788 0.874 1.00 0.00 C ATOM 406 O SER A 25 5.887 6.614 1.933 1.00 0.00 O ATOM 407 CB SER A 25 8.390 8.069 1.810 1.00 0.00 C ATOM 408 OG SER A 25 7.413 9.102 1.812 1.00 0.00 O ATOM 0 H SER A 25 8.286 8.404 -0.759 1.00 0.00 H new ATOM 0 HA SER A 25 8.474 6.049 1.060 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.486 7.641 2.808 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.365 8.475 1.542 1.00 0.00 H new ATOM 0 HG SER A 25 7.673 9.797 2.452 1.00 0.00 H new ATOM 414 N ASN A 26 5.801 6.814 -0.253 1.00 0.00 N ATOM 415 CA ASN A 26 4.322 6.629 -0.271 1.00 0.00 C ATOM 416 C ASN A 26 3.979 5.226 0.224 1.00 0.00 C ATOM 417 O ASN A 26 4.843 4.475 0.637 1.00 0.00 O ATOM 418 CB ASN A 26 3.801 6.807 -1.699 1.00 0.00 C ATOM 419 CG ASN A 26 2.937 8.067 -1.774 1.00 0.00 C ATOM 420 OD1 ASN A 26 3.203 8.954 -2.561 1.00 0.00 O ATOM 421 ND2 ASN A 26 1.906 8.183 -0.983 1.00 0.00 N ATOM 0 H ASN A 26 6.228 6.956 -1.168 1.00 0.00 H new ATOM 0 HA ASN A 26 3.856 7.369 0.380 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.636 6.884 -2.395 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.218 5.935 -1.996 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.323 9.019 -1.025 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.683 7.438 -0.323 1.00 0.00 H new ATOM 428 N LYS A 27 2.724 4.866 0.195 1.00 0.00 N ATOM 429 CA LYS A 27 2.337 3.514 0.678 1.00 0.00 C ATOM 430 C LYS A 27 1.491 2.788 -0.374 1.00 0.00 C ATOM 431 O LYS A 27 0.625 3.361 -1.024 1.00 0.00 O ATOM 432 CB LYS A 27 1.538 3.637 1.980 1.00 0.00 C ATOM 433 CG LYS A 27 1.921 4.932 2.705 1.00 0.00 C ATOM 434 CD LYS A 27 1.090 6.094 2.150 1.00 0.00 C ATOM 435 CE LYS A 27 0.232 6.687 3.268 1.00 0.00 C ATOM 436 NZ LYS A 27 -0.223 8.052 2.877 1.00 0.00 N ATOM 0 H LYS A 27 1.956 5.447 -0.141 1.00 0.00 H new ATOM 0 HA LYS A 27 3.245 2.938 0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.470 3.633 1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.736 2.778 2.621 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.748 4.826 3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.984 5.135 2.572 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.746 6.859 1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.455 5.745 1.336 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.629 6.046 3.459 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.805 6.735 4.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.807 8.455 3.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.605 8.661 2.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.785 7.994 2.004 1.00 0.00 H new ATOM 450 N LEU A 28 1.733 1.519 -0.538 1.00 0.00 N ATOM 451 CA LEU A 28 0.958 0.735 -1.529 1.00 0.00 C ATOM 452 C LEU A 28 -0.537 0.924 -1.263 1.00 0.00 C ATOM 453 O LEU A 28 -1.318 1.116 -2.173 1.00 0.00 O ATOM 454 CB LEU A 28 1.298 -0.741 -1.375 1.00 0.00 C ATOM 455 CG LEU A 28 1.605 -1.373 -2.730 1.00 0.00 C ATOM 456 CD1 LEU A 28 2.619 -0.558 -3.521 1.00 0.00 C ATOM 457 CD2 LEU A 28 2.152 -2.773 -2.496 1.00 0.00 C ATOM 0 H LEU A 28 2.438 0.991 -0.024 1.00 0.00 H new ATOM 0 HA LEU A 28 1.204 1.073 -2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.157 -0.853 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.464 -1.263 -0.906 1.00 0.00 H new ATOM 0 HG LEU A 28 0.685 -1.405 -3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.809 -1.043 -4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.226 0.444 -3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.550 -0.490 -2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.377 -3.241 -3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.062 -2.713 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.409 -3.370 -1.967 1.00 0.00 H new ATOM 469 N GLN A 29 -0.947 0.868 -0.019 1.00 0.00 N ATOM 470 CA GLN A 29 -2.395 1.040 0.285 1.00 0.00 C ATOM 471 C GLN A 29 -2.884 2.310 -0.401 1.00 0.00 C ATOM 472 O GLN A 29 -3.939 2.330 -1.005 1.00 0.00 O ATOM 473 CB GLN A 29 -2.605 1.149 1.804 1.00 0.00 C ATOM 474 CG GLN A 29 -3.938 1.845 2.107 1.00 0.00 C ATOM 475 CD GLN A 29 -3.700 3.342 2.312 1.00 0.00 C ATOM 476 OE1 GLN A 29 -3.706 4.105 1.366 1.00 0.00 O ATOM 477 NE2 GLN A 29 -3.494 3.800 3.516 1.00 0.00 N ATOM 0 H GLN A 29 -0.345 0.712 0.790 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.956 0.180 -0.079 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.595 0.155 2.252 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.784 1.709 2.253 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.637 1.687 1.286 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.391 1.413 2.999 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.489 3.161 4.311 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.338 4.797 3.663 1.00 0.00 H new ATOM 486 N ILE A 30 -2.131 3.373 -0.332 1.00 0.00 N ATOM 487 CA ILE A 30 -2.585 4.612 -1.006 1.00 0.00 C ATOM 488 C ILE A 30 -2.692 4.323 -2.492 1.00 0.00 C ATOM 489 O ILE A 30 -3.647 4.690 -3.142 1.00 0.00 O ATOM 490 CB ILE A 30 -1.590 5.755 -0.758 1.00 0.00 C ATOM 491 CG1 ILE A 30 -2.400 7.041 -0.564 1.00 0.00 C ATOM 492 CG2 ILE A 30 -0.620 5.912 -1.947 1.00 0.00 C ATOM 493 CD1 ILE A 30 -1.536 8.269 -0.870 1.00 0.00 C ATOM 0 H ILE A 30 -1.236 3.434 0.154 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.552 4.921 -0.609 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.989 5.539 0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.272 7.031 -1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.769 7.095 0.460 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.074 6.728 -1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.061 4.986 -2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.186 6.132 -2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.126 9.174 -0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.677 8.286 -0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.189 8.221 -1.902 1.00 0.00 H new ATOM 505 N VAL A 31 -1.719 3.652 -3.033 1.00 0.00 N ATOM 506 CA VAL A 31 -1.790 3.329 -4.484 1.00 0.00 C ATOM 507 C VAL A 31 -3.106 2.616 -4.741 1.00 0.00 C ATOM 508 O VAL A 31 -3.889 2.980 -5.599 1.00 0.00 O ATOM 509 CB VAL A 31 -0.646 2.405 -4.892 1.00 0.00 C ATOM 510 CG1 VAL A 31 -0.477 2.474 -6.407 1.00 0.00 C ATOM 511 CG2 VAL A 31 0.639 2.854 -4.203 1.00 0.00 C ATOM 0 H VAL A 31 -0.889 3.317 -2.544 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.716 4.250 -5.062 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.867 1.380 -4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.338 1.818 -6.712 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.400 2.155 -6.891 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.248 3.498 -6.701 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.457 2.195 -4.493 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.873 3.876 -4.501 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.506 2.812 -3.122 1.00 0.00 H new ATOM 521 N PHE A 32 -3.344 1.593 -3.988 1.00 0.00 N ATOM 522 CA PHE A 32 -4.599 0.817 -4.152 1.00 0.00 C ATOM 523 C PHE A 32 -5.806 1.754 -4.037 1.00 0.00 C ATOM 524 O PHE A 32 -6.758 1.653 -4.791 1.00 0.00 O ATOM 525 CB PHE A 32 -4.669 -0.239 -3.048 1.00 0.00 C ATOM 526 CG PHE A 32 -3.415 -1.094 -3.067 1.00 0.00 C ATOM 527 CD1 PHE A 32 -2.469 -0.950 -4.093 1.00 0.00 C ATOM 528 CD2 PHE A 32 -3.198 -2.039 -2.053 1.00 0.00 C ATOM 529 CE1 PHE A 32 -1.323 -1.748 -4.104 1.00 0.00 C ATOM 530 CE2 PHE A 32 -2.047 -2.835 -2.068 1.00 0.00 C ATOM 531 CZ PHE A 32 -1.115 -2.691 -3.091 1.00 0.00 C ATOM 0 H PHE A 32 -2.719 1.254 -3.257 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.612 0.338 -5.131 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.775 0.245 -2.077 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.549 -0.866 -3.189 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.627 -0.222 -4.875 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.921 -2.152 -1.259 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.596 -1.637 -4.895 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.882 -3.561 -1.286 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.229 -3.308 -3.103 1.00 0.00 H new ATOM 541 N ASP A 33 -5.780 2.663 -3.100 1.00 0.00 N ATOM 542 CA ASP A 33 -6.934 3.595 -2.942 1.00 0.00 C ATOM 543 C ASP A 33 -7.015 4.540 -4.144 1.00 0.00 C ATOM 544 O ASP A 33 -8.077 4.790 -4.680 1.00 0.00 O ATOM 545 CB ASP A 33 -6.754 4.418 -1.664 1.00 0.00 C ATOM 546 CG ASP A 33 -7.927 4.154 -0.717 1.00 0.00 C ATOM 547 OD1 ASP A 33 -7.969 3.078 -0.143 1.00 0.00 O ATOM 548 OD2 ASP A 33 -8.764 5.031 -0.584 1.00 0.00 O ATOM 0 H ASP A 33 -5.014 2.801 -2.440 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.854 3.013 -2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.814 4.154 -1.178 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.701 5.479 -1.907 1.00 0.00 H new ATOM 553 N PHE A 34 -5.905 5.077 -4.566 1.00 0.00 N ATOM 554 CA PHE A 34 -5.929 6.015 -5.720 1.00 0.00 C ATOM 555 C PHE A 34 -6.567 5.330 -6.932 1.00 0.00 C ATOM 556 O PHE A 34 -7.463 5.863 -7.555 1.00 0.00 O ATOM 557 CB PHE A 34 -4.481 6.440 -6.040 1.00 0.00 C ATOM 558 CG PHE A 34 -4.040 5.889 -7.381 1.00 0.00 C ATOM 559 CD1 PHE A 34 -4.551 6.432 -8.567 1.00 0.00 C ATOM 560 CD2 PHE A 34 -3.135 4.830 -7.431 1.00 0.00 C ATOM 561 CE1 PHE A 34 -4.147 5.912 -9.802 1.00 0.00 C ATOM 562 CE2 PHE A 34 -2.732 4.309 -8.659 1.00 0.00 C ATOM 563 CZ PHE A 34 -3.238 4.849 -9.849 1.00 0.00 C ATOM 0 H PHE A 34 -4.984 4.907 -4.162 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.521 6.897 -5.475 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.410 7.528 -6.048 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.811 6.083 -5.258 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.255 7.250 -8.528 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.745 4.412 -6.515 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.536 6.331 -10.718 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.030 3.489 -8.694 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.927 4.445 -10.801 1.00 0.00 H new ATOM 573 N VAL A 35 -6.107 4.158 -7.279 1.00 0.00 N ATOM 574 CA VAL A 35 -6.706 3.478 -8.467 1.00 0.00 C ATOM 575 C VAL A 35 -8.178 3.199 -8.186 1.00 0.00 C ATOM 576 O VAL A 35 -9.041 3.572 -8.956 1.00 0.00 O ATOM 577 CB VAL A 35 -5.995 2.154 -8.795 1.00 0.00 C ATOM 578 CG1 VAL A 35 -4.999 2.379 -9.931 1.00 0.00 C ATOM 579 CG2 VAL A 35 -5.248 1.625 -7.569 1.00 0.00 C ATOM 0 H VAL A 35 -5.360 3.650 -6.805 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.591 4.138 -9.327 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.745 1.422 -9.094 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.495 1.441 -10.164 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.529 2.735 -10.814 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.261 3.122 -9.626 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.752 0.688 -7.822 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.504 2.356 -7.253 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.956 1.454 -6.758 1.00 0.00 H new ATOM 589 N ALA A 36 -8.489 2.576 -7.079 1.00 0.00 N ATOM 590 CA ALA A 36 -9.922 2.313 -6.779 1.00 0.00 C ATOM 591 C ALA A 36 -10.646 3.658 -6.668 1.00 0.00 C ATOM 592 O ALA A 36 -11.857 3.734 -6.688 1.00 0.00 O ATOM 593 CB ALA A 36 -10.051 1.513 -5.481 1.00 0.00 C ATOM 0 H ALA A 36 -7.823 2.244 -6.382 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.373 1.723 -7.577 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.104 1.327 -5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.528 0.562 -5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.613 2.079 -4.659 1.00 0.00 H new ATOM 599 N SER A 37 -9.912 4.729 -6.576 1.00 0.00 N ATOM 600 CA SER A 37 -10.557 6.064 -6.506 1.00 0.00 C ATOM 601 C SER A 37 -10.788 6.567 -7.937 1.00 0.00 C ATOM 602 O SER A 37 -11.495 7.528 -8.163 1.00 0.00 O ATOM 603 CB SER A 37 -9.646 7.039 -5.760 1.00 0.00 C ATOM 604 OG SER A 37 -9.614 6.691 -4.381 1.00 0.00 O ATOM 0 H SER A 37 -8.892 4.736 -6.546 1.00 0.00 H new ATOM 0 HA SER A 37 -11.506 5.993 -5.975 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.640 7.007 -6.178 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.009 8.059 -5.881 1.00 0.00 H new ATOM 0 HG SER A 37 -9.359 5.749 -4.287 1.00 0.00 H new ATOM 610 N LYS A 38 -10.175 5.926 -8.907 1.00 0.00 N ATOM 611 CA LYS A 38 -10.335 6.366 -10.323 1.00 0.00 C ATOM 612 C LYS A 38 -11.598 5.754 -10.944 1.00 0.00 C ATOM 613 O LYS A 38 -12.627 6.394 -11.031 1.00 0.00 O ATOM 614 CB LYS A 38 -9.108 5.922 -11.127 1.00 0.00 C ATOM 615 CG LYS A 38 -8.362 7.153 -11.648 1.00 0.00 C ATOM 616 CD LYS A 38 -7.822 7.959 -10.465 1.00 0.00 C ATOM 617 CE LYS A 38 -6.442 8.517 -10.818 1.00 0.00 C ATOM 618 NZ LYS A 38 -6.508 10.006 -10.873 1.00 0.00 N ATOM 0 H LYS A 38 -9.570 5.116 -8.773 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.429 7.452 -10.345 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.448 5.322 -10.500 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.416 5.291 -11.961 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.542 6.847 -12.298 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.031 7.770 -12.248 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.505 8.774 -10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.755 7.326 -9.580 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.709 8.202 -10.075 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.112 8.121 -11.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.570 10.386 -11.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.195 10.297 -11.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.805 10.375 -9.947 1.00 0.00 H new ATOM 632 N GLY A 39 -11.523 4.530 -11.403 1.00 0.00 N ATOM 633 CA GLY A 39 -12.716 3.901 -12.048 1.00 0.00 C ATOM 634 C GLY A 39 -13.029 2.539 -11.408 1.00 0.00 C ATOM 635 O GLY A 39 -14.051 1.937 -11.671 1.00 0.00 O ATOM 0 H GLY A 39 -10.691 3.941 -11.359 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.578 4.561 -11.950 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.533 3.773 -13.115 1.00 0.00 H new ATOM 745 N LYS A 46 -6.819 -5.878 -6.811 1.00 0.00 N ATOM 746 CA LYS A 46 -5.361 -6.053 -6.577 1.00 0.00 C ATOM 747 C LYS A 46 -4.636 -5.697 -7.872 1.00 0.00 C ATOM 748 O LYS A 46 -5.057 -6.066 -8.953 1.00 0.00 O ATOM 749 CB LYS A 46 -5.063 -7.508 -6.205 1.00 0.00 C ATOM 750 CG LYS A 46 -6.258 -8.106 -5.459 1.00 0.00 C ATOM 751 CD LYS A 46 -6.347 -7.491 -4.061 1.00 0.00 C ATOM 752 CE LYS A 46 -7.733 -6.877 -3.861 1.00 0.00 C ATOM 753 NZ LYS A 46 -8.455 -7.621 -2.791 1.00 0.00 N ATOM 0 HA LYS A 46 -5.028 -5.412 -5.761 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.856 -8.088 -7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.171 -7.558 -5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.178 -7.914 -6.011 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.150 -9.188 -5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.163 -8.254 -3.304 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.578 -6.728 -3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.641 -5.825 -3.589 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.298 -6.917 -4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.398 -7.204 -2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.554 -8.618 -3.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.917 -7.560 -1.903 1.00 0.00 H new ATOM 767 N LEU A 47 -3.565 -4.967 -7.782 1.00 0.00 N ATOM 768 CA LEU A 47 -2.833 -4.578 -9.012 1.00 0.00 C ATOM 769 C LEU A 47 -1.699 -5.567 -9.274 1.00 0.00 C ATOM 770 O LEU A 47 -1.130 -6.127 -8.362 1.00 0.00 O ATOM 771 CB LEU A 47 -2.265 -3.178 -8.822 1.00 0.00 C ATOM 772 CG LEU A 47 -3.403 -2.220 -8.481 1.00 0.00 C ATOM 773 CD1 LEU A 47 -2.914 -1.188 -7.466 1.00 0.00 C ATOM 774 CD2 LEU A 47 -3.867 -1.515 -9.755 1.00 0.00 C ATOM 0 H LEU A 47 -3.165 -4.623 -6.909 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.511 -4.588 -9.865 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.522 -3.179 -8.024 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.758 -2.851 -9.730 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.236 -2.776 -8.052 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.727 -0.504 -7.222 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.584 -1.697 -6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.082 -0.626 -7.890 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.680 -0.830 -9.516 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.036 -0.956 -10.185 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.217 -2.256 -10.474 1.00 0.00 H new ATOM 786 N LEU A 48 -1.365 -5.783 -10.516 1.00 0.00 N ATOM 787 CA LEU A 48 -0.265 -6.728 -10.845 1.00 0.00 C ATOM 788 C LEU A 48 0.937 -5.924 -11.334 1.00 0.00 C ATOM 789 O LEU A 48 0.866 -5.240 -12.336 1.00 0.00 O ATOM 790 CB LEU A 48 -0.733 -7.693 -11.945 1.00 0.00 C ATOM 791 CG LEU A 48 0.467 -8.398 -12.595 1.00 0.00 C ATOM 792 CD1 LEU A 48 1.100 -7.480 -13.644 1.00 0.00 C ATOM 793 CD2 LEU A 48 1.510 -8.749 -11.528 1.00 0.00 C ATOM 0 H LEU A 48 -1.810 -5.342 -11.321 1.00 0.00 H new ATOM 0 HA LEU A 48 0.013 -7.306 -9.963 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.411 -8.434 -11.521 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.293 -7.145 -12.702 1.00 0.00 H new ATOM 0 HG LEU A 48 0.122 -9.314 -13.074 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.951 -7.984 -14.103 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.363 -7.241 -14.411 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.437 -6.560 -13.166 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.357 -9.249 -11.998 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.852 -7.837 -11.039 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.063 -9.412 -10.787 1.00 0.00 H new ATOM 805 N SER A 49 2.043 -5.987 -10.643 1.00 0.00 N ATOM 806 CA SER A 49 3.226 -5.208 -11.096 1.00 0.00 C ATOM 807 C SER A 49 3.844 -5.919 -12.298 1.00 0.00 C ATOM 808 O SER A 49 4.208 -7.080 -12.228 1.00 0.00 O ATOM 809 CB SER A 49 4.252 -5.101 -9.970 1.00 0.00 C ATOM 810 OG SER A 49 4.039 -6.151 -9.036 1.00 0.00 O ATOM 0 H SER A 49 2.176 -6.538 -9.795 1.00 0.00 H new ATOM 0 HA SER A 49 2.918 -4.200 -11.375 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.262 -5.160 -10.376 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.164 -4.135 -9.474 1.00 0.00 H new ATOM 0 HG SER A 49 3.832 -6.979 -9.517 1.00 0.00 H new ATOM 816 N THR A 50 3.939 -5.230 -13.403 1.00 0.00 N ATOM 817 CA THR A 50 4.501 -5.849 -14.635 1.00 0.00 C ATOM 818 C THR A 50 6.029 -5.906 -14.561 1.00 0.00 C ATOM 819 O THR A 50 6.630 -6.905 -14.902 1.00 0.00 O ATOM 820 CB THR A 50 4.080 -5.017 -15.851 1.00 0.00 C ATOM 821 OG1 THR A 50 4.821 -3.805 -15.872 1.00 0.00 O ATOM 822 CG2 THR A 50 2.584 -4.703 -15.765 1.00 0.00 C ATOM 0 H THR A 50 3.649 -4.257 -13.504 1.00 0.00 H new ATOM 0 HA THR A 50 4.119 -6.866 -14.726 1.00 0.00 H new ATOM 0 HB THR A 50 4.278 -5.580 -16.763 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.548 -3.241 -15.118 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.286 -4.111 -16.631 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.017 -5.634 -15.749 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.382 -4.140 -14.854 1.00 0.00 H new ATOM 830 N PHE A 51 6.668 -4.847 -14.136 1.00 0.00 N ATOM 831 CA PHE A 51 8.157 -4.874 -14.066 1.00 0.00 C ATOM 832 C PHE A 51 8.606 -6.200 -13.441 1.00 0.00 C ATOM 833 O PHE A 51 9.261 -6.988 -14.094 1.00 0.00 O ATOM 834 CB PHE A 51 8.671 -3.690 -13.246 1.00 0.00 C ATOM 835 CG PHE A 51 9.438 -2.751 -14.147 1.00 0.00 C ATOM 836 CD1 PHE A 51 8.750 -1.907 -15.025 1.00 0.00 C ATOM 837 CD2 PHE A 51 10.837 -2.728 -14.104 1.00 0.00 C ATOM 838 CE1 PHE A 51 9.461 -1.037 -15.862 1.00 0.00 C ATOM 839 CE2 PHE A 51 11.548 -1.860 -14.941 1.00 0.00 C ATOM 840 CZ PHE A 51 10.860 -1.014 -15.820 1.00 0.00 C ATOM 0 H PHE A 51 6.229 -3.976 -13.838 1.00 0.00 H new ATOM 0 HA PHE A 51 8.571 -4.793 -15.071 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.836 -3.165 -12.782 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.313 -4.044 -12.439 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.671 -1.926 -15.058 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.367 -3.380 -13.425 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.930 -0.384 -16.539 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.627 -1.843 -14.909 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.409 -0.344 -16.465 1.00 0.00 H new ATOM 850 N PRO A 52 8.220 -6.432 -12.207 1.00 0.00 N ATOM 851 CA PRO A 52 8.558 -7.681 -11.510 1.00 0.00 C ATOM 852 C PRO A 52 7.583 -8.777 -11.944 1.00 0.00 C ATOM 853 O PRO A 52 7.845 -9.955 -11.799 1.00 0.00 O ATOM 854 CB PRO A 52 8.347 -7.343 -10.035 1.00 0.00 C ATOM 855 CG PRO A 52 7.362 -6.154 -10.002 1.00 0.00 C ATOM 856 CD PRO A 52 7.428 -5.485 -11.390 1.00 0.00 C ATOM 0 HA PRO A 52 9.567 -8.037 -11.718 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.943 -8.198 -9.494 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.291 -7.080 -9.557 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.350 -6.496 -9.785 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.635 -5.447 -9.218 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.433 -5.333 -11.808 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.905 -4.506 -11.339 1.00 0.00 H new ATOM 864 N ARG A 53 6.448 -8.387 -12.464 1.00 0.00 N ATOM 865 CA ARG A 53 5.436 -9.389 -12.898 1.00 0.00 C ATOM 866 C ARG A 53 4.921 -10.135 -11.668 1.00 0.00 C ATOM 867 O ARG A 53 4.844 -11.348 -11.651 1.00 0.00 O ATOM 868 CB ARG A 53 6.079 -10.381 -13.872 1.00 0.00 C ATOM 869 CG ARG A 53 5.002 -10.984 -14.776 1.00 0.00 C ATOM 870 CD ARG A 53 4.251 -9.862 -15.497 1.00 0.00 C ATOM 871 NE ARG A 53 3.519 -10.426 -16.667 1.00 0.00 N ATOM 872 CZ ARG A 53 2.275 -10.091 -16.880 1.00 0.00 C ATOM 873 NH1 ARG A 53 1.424 -10.083 -15.890 1.00 0.00 N ATOM 874 NH2 ARG A 53 1.884 -9.763 -18.081 1.00 0.00 N ATOM 0 H ARG A 53 6.180 -7.413 -12.606 1.00 0.00 H new ATOM 0 HA ARG A 53 4.608 -8.886 -13.398 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.834 -9.876 -14.475 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.588 -11.171 -13.319 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.458 -11.656 -15.503 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.307 -11.579 -14.184 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.551 -9.381 -14.814 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.951 -9.095 -15.828 1.00 0.00 H new ATOM 0 HE ARG A 53 3.989 -11.073 -17.300 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.731 -10.338 -14.951 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.452 -9.821 -16.055 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.550 -9.768 -18.853 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.912 -9.501 -18.247 1.00 0.00 H new ATOM 888 N ARG A 54 4.580 -9.418 -10.631 1.00 0.00 N ATOM 889 CA ARG A 54 4.084 -10.090 -9.395 1.00 0.00 C ATOM 890 C ARG A 54 2.857 -9.356 -8.846 1.00 0.00 C ATOM 891 O ARG A 54 2.561 -8.243 -9.232 1.00 0.00 O ATOM 892 CB ARG A 54 5.195 -10.084 -8.345 1.00 0.00 C ATOM 893 CG ARG A 54 5.402 -8.661 -7.824 1.00 0.00 C ATOM 894 CD ARG A 54 6.559 -8.645 -6.820 1.00 0.00 C ATOM 895 NE ARG A 54 7.566 -9.674 -7.201 1.00 0.00 N ATOM 896 CZ ARG A 54 8.184 -10.356 -6.274 1.00 0.00 C ATOM 897 NH1 ARG A 54 7.501 -10.948 -5.333 1.00 0.00 N ATOM 898 NH2 ARG A 54 9.486 -10.445 -6.289 1.00 0.00 N ATOM 0 H ARG A 54 4.623 -8.400 -10.586 1.00 0.00 H new ATOM 0 HA ARG A 54 3.801 -11.115 -9.633 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.934 -10.749 -7.522 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.121 -10.461 -8.779 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.617 -7.987 -8.653 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.490 -8.301 -7.349 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.022 -7.659 -6.799 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.185 -8.842 -5.815 1.00 0.00 H new ATOM 0 HE ARG A 54 7.773 -9.846 -8.185 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.483 -10.879 -5.321 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.985 -11.480 -4.610 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.020 -9.982 -7.024 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.969 -10.977 -5.565 1.00 0.00 H new ATOM 912 N ASP A 55 2.146 -9.974 -7.938 1.00 0.00 N ATOM 913 CA ASP A 55 0.942 -9.315 -7.354 1.00 0.00 C ATOM 914 C ASP A 55 1.345 -7.971 -6.747 1.00 0.00 C ATOM 915 O ASP A 55 1.828 -7.908 -5.640 1.00 0.00 O ATOM 916 CB ASP A 55 0.348 -10.207 -6.262 1.00 0.00 C ATOM 917 CG ASP A 55 -0.981 -9.614 -5.788 1.00 0.00 C ATOM 918 OD1 ASP A 55 -1.057 -8.402 -5.668 1.00 0.00 O ATOM 919 OD2 ASP A 55 -1.900 -10.382 -5.554 1.00 0.00 O ATOM 0 H ASP A 55 2.348 -10.906 -7.577 1.00 0.00 H new ATOM 0 HA ASP A 55 0.200 -9.157 -8.136 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.193 -11.215 -6.645 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.042 -10.287 -5.425 1.00 0.00 H new ATOM 924 N VAL A 56 1.138 -6.908 -7.478 1.00 0.00 N ATOM 925 CA VAL A 56 1.488 -5.539 -7.000 1.00 0.00 C ATOM 926 C VAL A 56 2.841 -5.533 -6.298 1.00 0.00 C ATOM 927 O VAL A 56 3.021 -6.083 -5.237 1.00 0.00 O ATOM 928 CB VAL A 56 0.382 -4.990 -6.093 1.00 0.00 C ATOM 929 CG1 VAL A 56 0.616 -5.408 -4.646 1.00 0.00 C ATOM 930 CG2 VAL A 56 0.367 -3.461 -6.188 1.00 0.00 C ATOM 0 H VAL A 56 0.730 -6.933 -8.412 1.00 0.00 H new ATOM 0 HA VAL A 56 1.569 -4.882 -7.866 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.576 -5.394 -6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.180 -5.008 -4.018 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.620 -6.496 -4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.576 -5.019 -4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.418 -3.064 -5.545 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.332 -3.067 -5.868 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.177 -3.162 -7.219 1.00 0.00 H new ATOM 940 N THR A 57 3.782 -4.895 -6.927 1.00 0.00 N ATOM 941 CA THR A 57 5.172 -4.785 -6.402 1.00 0.00 C ATOM 942 C THR A 57 5.286 -5.168 -4.918 1.00 0.00 C ATOM 943 O THR A 57 5.187 -4.342 -4.037 1.00 0.00 O ATOM 944 CB THR A 57 5.648 -3.347 -6.603 1.00 0.00 C ATOM 945 OG1 THR A 57 6.749 -3.085 -5.747 1.00 0.00 O ATOM 946 CG2 THR A 57 4.500 -2.384 -6.291 1.00 0.00 C ATOM 0 H THR A 57 3.640 -4.425 -7.821 1.00 0.00 H new ATOM 0 HA THR A 57 5.796 -5.490 -6.951 1.00 0.00 H new ATOM 0 HB THR A 57 5.963 -3.207 -7.637 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.558 -2.956 -6.285 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.837 -1.357 -6.434 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.663 -2.587 -6.959 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.181 -2.521 -5.258 1.00 0.00 H new ATOM 954 N GLN A 58 5.539 -6.423 -4.657 1.00 0.00 N ATOM 955 CA GLN A 58 5.741 -6.905 -3.246 1.00 0.00 C ATOM 956 C GLN A 58 4.429 -7.126 -2.481 1.00 0.00 C ATOM 957 O GLN A 58 4.425 -7.773 -1.452 1.00 0.00 O ATOM 958 CB GLN A 58 6.602 -5.896 -2.482 1.00 0.00 C ATOM 959 CG GLN A 58 7.868 -6.590 -1.975 1.00 0.00 C ATOM 960 CD GLN A 58 8.689 -7.089 -3.164 1.00 0.00 C ATOM 961 OE1 GLN A 58 8.433 -6.717 -4.293 1.00 0.00 O ATOM 962 NE2 GLN A 58 9.674 -7.921 -2.958 1.00 0.00 N ATOM 0 H GLN A 58 5.617 -7.150 -5.368 1.00 0.00 H new ATOM 0 HA GLN A 58 6.236 -7.874 -3.315 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.867 -5.062 -3.131 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.040 -5.482 -1.644 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.460 -5.898 -1.376 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.603 -7.425 -1.327 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.889 -8.233 -2.011 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.229 -8.259 -3.744 1.00 0.00 H new ATOM 971 N LEU A 59 3.327 -6.611 -2.935 1.00 0.00 N ATOM 972 CA LEU A 59 2.058 -6.828 -2.179 1.00 0.00 C ATOM 973 C LEU A 59 2.127 -6.093 -0.841 1.00 0.00 C ATOM 974 O LEU A 59 2.989 -5.266 -0.618 1.00 0.00 O ATOM 975 CB LEU A 59 1.857 -8.325 -1.933 1.00 0.00 C ATOM 976 CG LEU A 59 0.780 -8.853 -2.879 1.00 0.00 C ATOM 977 CD1 LEU A 59 0.969 -10.358 -3.081 1.00 0.00 C ATOM 978 CD2 LEU A 59 -0.601 -8.590 -2.276 1.00 0.00 C ATOM 0 H LEU A 59 3.244 -6.055 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 59 1.220 -6.442 -2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.793 -8.860 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.564 -8.499 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 59 0.861 -8.345 -3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.200 -10.734 -3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.953 -10.547 -3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.889 -10.867 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.370 -8.966 -2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.681 -9.098 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.737 -7.518 -2.133 1.00 0.00 H new ATOM 990 N ASP A 60 1.219 -6.383 0.053 1.00 0.00 N ATOM 991 CA ASP A 60 1.230 -5.694 1.372 1.00 0.00 C ATOM 992 C ASP A 60 0.857 -4.221 1.173 1.00 0.00 C ATOM 993 O ASP A 60 1.711 -3.397 0.906 1.00 0.00 O ATOM 994 CB ASP A 60 2.627 -5.790 1.988 1.00 0.00 C ATOM 995 CG ASP A 60 2.590 -6.728 3.195 1.00 0.00 C ATOM 996 OD1 ASP A 60 2.252 -7.886 3.011 1.00 0.00 O ATOM 997 OD2 ASP A 60 2.900 -6.273 4.285 1.00 0.00 O ATOM 0 H ASP A 60 0.472 -7.066 -0.075 1.00 0.00 H new ATOM 0 HA ASP A 60 0.510 -6.168 2.039 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.337 -6.160 1.249 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.970 -4.801 2.293 1.00 0.00 H new ATOM 1002 N PRO A 61 -0.411 -3.933 1.316 1.00 0.00 N ATOM 1003 CA PRO A 61 -0.933 -2.564 1.152 1.00 0.00 C ATOM 1004 C PRO A 61 -0.482 -1.687 2.314 1.00 0.00 C ATOM 1005 O PRO A 61 -0.690 -0.490 2.328 1.00 0.00 O ATOM 1006 CB PRO A 61 -2.454 -2.752 1.140 1.00 0.00 C ATOM 1007 CG PRO A 61 -2.727 -4.107 1.830 1.00 0.00 C ATOM 1008 CD PRO A 61 -1.436 -4.933 1.682 1.00 0.00 C ATOM 0 HA PRO A 61 -0.576 -2.068 0.249 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.951 -1.939 1.669 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.838 -2.750 0.120 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.980 -3.965 2.881 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.571 -4.617 1.366 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.181 -5.445 2.610 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.538 -5.699 0.914 1.00 0.00 H new ATOM 1016 N ASN A 62 0.157 -2.275 3.279 1.00 0.00 N ATOM 1017 CA ASN A 62 0.642 -1.489 4.444 1.00 0.00 C ATOM 1018 C ASN A 62 2.129 -1.195 4.260 1.00 0.00 C ATOM 1019 O ASN A 62 2.747 -0.533 5.069 1.00 0.00 O ATOM 1020 CB ASN A 62 0.435 -2.296 5.727 1.00 0.00 C ATOM 1021 CG ASN A 62 1.154 -3.641 5.603 1.00 0.00 C ATOM 1022 OD1 ASN A 62 2.040 -3.797 4.788 1.00 0.00 O ATOM 1023 ND2 ASN A 62 0.805 -4.627 6.383 1.00 0.00 N ATOM 0 H ASN A 62 0.367 -3.273 3.313 1.00 0.00 H new ATOM 0 HA ASN A 62 0.087 -0.554 4.515 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.820 -1.743 6.584 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.629 -2.455 5.902 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.277 -5.528 6.308 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.061 -4.496 7.068 1.00 0.00 H new ATOM 1030 N LYS A 63 2.709 -1.685 3.200 1.00 0.00 N ATOM 1031 CA LYS A 63 4.154 -1.438 2.963 1.00 0.00 C ATOM 1032 C LYS A 63 4.339 -0.091 2.264 1.00 0.00 C ATOM 1033 O LYS A 63 3.439 0.425 1.629 1.00 0.00 O ATOM 1034 CB LYS A 63 4.724 -2.553 2.083 1.00 0.00 C ATOM 1035 CG LYS A 63 5.884 -3.233 2.812 1.00 0.00 C ATOM 1036 CD LYS A 63 5.984 -4.693 2.365 1.00 0.00 C ATOM 1037 CE LYS A 63 7.184 -5.354 3.046 1.00 0.00 C ATOM 1038 NZ LYS A 63 7.034 -6.836 2.986 1.00 0.00 N ATOM 0 H LYS A 63 2.242 -2.246 2.488 1.00 0.00 H new ATOM 0 HA LYS A 63 4.679 -1.423 3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.947 -3.282 1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.067 -2.142 1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.817 -2.712 2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.730 -3.182 3.890 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.068 -5.226 2.620 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.092 -4.746 1.282 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.108 -5.051 2.553 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.253 -5.026 4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.849 -7.286 3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.160 -7.117 3.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.988 -7.140 1.993 1.00 0.00 H new ATOM 1052 N SER A 64 5.510 0.470 2.363 1.00 0.00 N ATOM 1053 CA SER A 64 5.779 1.773 1.697 1.00 0.00 C ATOM 1054 C SER A 64 6.306 1.463 0.303 1.00 0.00 C ATOM 1055 O SER A 64 6.490 0.314 -0.043 1.00 0.00 O ATOM 1056 CB SER A 64 6.816 2.568 2.490 1.00 0.00 C ATOM 1057 OG SER A 64 8.121 2.180 2.085 1.00 0.00 O ATOM 0 H SER A 64 6.298 0.079 2.880 1.00 0.00 H new ATOM 0 HA SER A 64 4.872 2.374 1.643 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.675 3.636 2.325 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.687 2.391 3.558 1.00 0.00 H new ATOM 0 HG SER A 64 8.786 2.691 2.592 1.00 0.00 H new ATOM 1063 N LEU A 65 6.509 2.444 -0.523 1.00 0.00 N ATOM 1064 CA LEU A 65 6.968 2.132 -1.899 1.00 0.00 C ATOM 1065 C LEU A 65 8.421 1.674 -1.893 1.00 0.00 C ATOM 1066 O LEU A 65 8.751 0.653 -2.460 1.00 0.00 O ATOM 1067 CB LEU A 65 6.805 3.364 -2.769 1.00 0.00 C ATOM 1068 CG LEU A 65 5.346 3.446 -3.201 1.00 0.00 C ATOM 1069 CD1 LEU A 65 5.154 4.651 -4.098 1.00 0.00 C ATOM 1070 CD2 LEU A 65 4.952 2.176 -3.967 1.00 0.00 C ATOM 0 H LEU A 65 6.380 3.433 -0.311 1.00 0.00 H new ATOM 0 HA LEU A 65 6.363 1.319 -2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.090 4.260 -2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.458 3.304 -3.640 1.00 0.00 H new ATOM 0 HG LEU A 65 4.717 3.540 -2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.111 4.711 -4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.424 5.556 -3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.789 4.554 -4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.908 2.244 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.582 2.074 -4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.086 1.307 -3.323 1.00 0.00 H new ATOM 1082 N LEU A 66 9.296 2.397 -1.266 1.00 0.00 N ATOM 1083 CA LEU A 66 10.715 1.951 -1.252 1.00 0.00 C ATOM 1084 C LEU A 66 10.785 0.486 -0.823 1.00 0.00 C ATOM 1085 O LEU A 66 11.531 -0.294 -1.381 1.00 0.00 O ATOM 1086 CB LEU A 66 11.513 2.825 -0.281 1.00 0.00 C ATOM 1087 CG LEU A 66 12.261 3.931 -1.045 1.00 0.00 C ATOM 1088 CD1 LEU A 66 11.508 4.307 -2.329 1.00 0.00 C ATOM 1089 CD2 LEU A 66 12.368 5.166 -0.150 1.00 0.00 C ATOM 0 H LEU A 66 9.099 3.265 -0.768 1.00 0.00 H new ATOM 0 HA LEU A 66 11.141 2.048 -2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.841 3.271 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.224 2.210 0.271 1.00 0.00 H new ATOM 0 HG LEU A 66 13.252 3.566 -1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.054 5.091 -2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.424 3.430 -2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.511 4.667 -2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.897 5.956 -0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.369 5.512 0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.915 4.911 0.758 1.00 0.00 H new ATOM 1101 N GLU A 67 10.001 0.090 0.139 1.00 0.00 N ATOM 1102 CA GLU A 67 10.037 -1.343 0.561 1.00 0.00 C ATOM 1103 C GLU A 67 9.620 -2.193 -0.631 1.00 0.00 C ATOM 1104 O GLU A 67 10.171 -3.247 -0.879 1.00 0.00 O ATOM 1105 CB GLU A 67 9.075 -1.616 1.726 1.00 0.00 C ATOM 1106 CG GLU A 67 8.655 -0.311 2.392 1.00 0.00 C ATOM 1107 CD GLU A 67 8.232 -0.585 3.836 1.00 0.00 C ATOM 1108 OE1 GLU A 67 8.439 -1.696 4.293 1.00 0.00 O ATOM 1109 OE2 GLU A 67 7.706 0.323 4.460 1.00 0.00 O ATOM 0 H GLU A 67 9.345 0.684 0.647 1.00 0.00 H new ATOM 0 HA GLU A 67 11.046 -1.586 0.895 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.194 -2.144 1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.556 -2.265 2.457 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.480 0.401 2.373 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.831 0.142 1.841 1.00 0.00 H new ATOM 1116 N VAL A 68 8.653 -1.737 -1.381 1.00 0.00 N ATOM 1117 CA VAL A 68 8.218 -2.527 -2.566 1.00 0.00 C ATOM 1118 C VAL A 68 9.047 -2.120 -3.796 1.00 0.00 C ATOM 1119 O VAL A 68 8.917 -2.700 -4.852 1.00 0.00 O ATOM 1120 CB VAL A 68 6.717 -2.361 -2.820 1.00 0.00 C ATOM 1121 CG1 VAL A 68 5.941 -3.041 -1.691 1.00 0.00 C ATOM 1122 CG2 VAL A 68 6.322 -0.893 -2.867 1.00 0.00 C ATOM 0 H VAL A 68 8.151 -0.862 -1.227 1.00 0.00 H new ATOM 0 HA VAL A 68 8.392 -3.584 -2.367 1.00 0.00 H new ATOM 0 HB VAL A 68 6.482 -2.815 -3.783 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.871 -2.927 -1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.193 -4.101 -1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.205 -2.580 -0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.250 -0.810 -3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.566 -0.420 -1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.866 -0.395 -3.670 1.00 0.00 H new ATOM 1132 N LYS A 69 9.942 -1.167 -3.636 1.00 0.00 N ATOM 1133 CA LYS A 69 10.863 -0.751 -4.750 1.00 0.00 C ATOM 1134 C LYS A 69 10.207 0.170 -5.788 1.00 0.00 C ATOM 1135 O LYS A 69 10.530 0.104 -6.956 1.00 0.00 O ATOM 1136 CB LYS A 69 11.424 -1.986 -5.467 1.00 0.00 C ATOM 1137 CG LYS A 69 12.252 -2.825 -4.485 1.00 0.00 C ATOM 1138 CD LYS A 69 11.433 -4.016 -3.973 1.00 0.00 C ATOM 1139 CE LYS A 69 10.787 -4.751 -5.151 1.00 0.00 C ATOM 1140 NZ LYS A 69 11.098 -6.206 -5.061 1.00 0.00 N ATOM 0 H LYS A 69 10.075 -0.652 -2.766 1.00 0.00 H new ATOM 0 HA LYS A 69 11.661 -0.181 -4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.608 -2.584 -5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.044 -1.679 -6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.157 -3.183 -4.976 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.568 -2.206 -3.646 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.076 -4.698 -3.416 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.663 -3.669 -3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.708 -4.598 -5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.158 -4.347 -6.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.731 -6.475 -5.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.564 -6.406 -4.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.217 -6.754 -5.126 1.00 0.00 H new ATOM 1207 N GLN A 73 9.946 4.280 -12.389 1.00 0.00 N ATOM 1208 CA GLN A 73 8.580 4.176 -12.979 1.00 0.00 C ATOM 1209 C GLN A 73 8.174 2.705 -13.054 1.00 0.00 C ATOM 1210 O GLN A 73 8.980 1.847 -13.357 1.00 0.00 O ATOM 1211 CB GLN A 73 8.585 4.777 -14.386 1.00 0.00 C ATOM 1212 CG GLN A 73 9.475 6.020 -14.408 1.00 0.00 C ATOM 1213 CD GLN A 73 9.285 6.761 -15.732 1.00 0.00 C ATOM 1214 OE1 GLN A 73 8.885 7.908 -15.747 1.00 0.00 O ATOM 1215 NE2 GLN A 73 9.555 6.149 -16.852 1.00 0.00 N ATOM 0 HA GLN A 73 7.870 4.720 -12.356 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.950 4.043 -15.105 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.570 5.039 -14.685 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.224 6.675 -13.574 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.520 5.734 -14.286 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.891 5.186 -16.839 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.430 6.634 -17.741 1.00 0.00 H new ATOM 1224 N GLU A 74 6.936 2.399 -12.787 1.00 0.00 N ATOM 1225 CA GLU A 74 6.505 0.974 -12.855 1.00 0.00 C ATOM 1226 C GLU A 74 5.119 0.871 -13.499 1.00 0.00 C ATOM 1227 O GLU A 74 4.271 1.725 -13.320 1.00 0.00 O ATOM 1228 CB GLU A 74 6.463 0.386 -11.441 1.00 0.00 C ATOM 1229 CG GLU A 74 7.887 0.071 -10.978 1.00 0.00 C ATOM 1230 CD GLU A 74 7.878 -1.194 -10.119 1.00 0.00 C ATOM 1231 OE1 GLU A 74 6.841 -1.491 -9.548 1.00 0.00 O ATOM 1232 OE2 GLU A 74 8.907 -1.844 -10.046 1.00 0.00 O ATOM 0 H GLU A 74 6.209 3.066 -12.527 1.00 0.00 H new ATOM 0 HA GLU A 74 7.217 0.415 -13.462 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.994 1.092 -10.756 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.857 -0.520 -11.430 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.539 -0.068 -11.841 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.288 0.908 -10.407 1.00 0.00 H new ATOM 1239 N THR A 75 4.877 -0.179 -14.237 1.00 0.00 N ATOM 1240 CA THR A 75 3.543 -0.351 -14.877 1.00 0.00 C ATOM 1241 C THR A 75 2.777 -1.434 -14.115 1.00 0.00 C ATOM 1242 O THR A 75 3.286 -2.509 -13.871 1.00 0.00 O ATOM 1243 CB THR A 75 3.715 -0.768 -16.340 1.00 0.00 C ATOM 1244 OG1 THR A 75 4.768 -0.014 -16.925 1.00 0.00 O ATOM 1245 CG2 THR A 75 2.414 -0.510 -17.103 1.00 0.00 C ATOM 0 H THR A 75 5.547 -0.925 -14.424 1.00 0.00 H new ATOM 0 HA THR A 75 2.992 0.589 -14.847 1.00 0.00 H new ATOM 0 HB THR A 75 3.957 -1.830 -16.390 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.881 -0.281 -17.861 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.538 -0.807 -18.144 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.608 -1.090 -16.654 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.168 0.551 -17.055 1.00 0.00 H new ATOM 1253 N LEU A 76 1.567 -1.155 -13.723 1.00 0.00 N ATOM 1254 CA LEU A 76 0.783 -2.166 -12.958 1.00 0.00 C ATOM 1255 C LEU A 76 -0.484 -2.542 -13.729 1.00 0.00 C ATOM 1256 O LEU A 76 -0.893 -1.853 -14.638 1.00 0.00 O ATOM 1257 CB LEU A 76 0.399 -1.581 -11.601 1.00 0.00 C ATOM 1258 CG LEU A 76 1.251 -2.223 -10.509 1.00 0.00 C ATOM 1259 CD1 LEU A 76 1.570 -1.190 -9.428 1.00 0.00 C ATOM 1260 CD2 LEU A 76 0.473 -3.380 -9.891 1.00 0.00 C ATOM 0 H LEU A 76 1.086 -0.273 -13.898 1.00 0.00 H new ATOM 0 HA LEU A 76 1.390 -3.060 -12.817 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.546 -0.501 -11.604 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.658 -1.758 -11.403 1.00 0.00 H new ATOM 0 HG LEU A 76 2.183 -2.589 -10.939 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.178 -1.653 -8.651 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.118 -0.358 -9.870 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.642 -0.822 -8.991 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.073 -3.846 -9.109 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.456 -3.005 -9.461 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.245 -4.117 -10.661 1.00 0.00 H new ATOM 1272 N PHE A 77 -1.109 -3.631 -13.370 1.00 0.00 N ATOM 1273 CA PHE A 77 -2.355 -4.055 -14.076 1.00 0.00 C ATOM 1274 C PHE A 77 -3.492 -4.205 -13.055 1.00 0.00 C ATOM 1275 O PHE A 77 -3.269 -4.576 -11.924 1.00 0.00 O ATOM 1276 CB PHE A 77 -2.112 -5.398 -14.770 1.00 0.00 C ATOM 1277 CG PHE A 77 -1.447 -5.169 -16.106 1.00 0.00 C ATOM 1278 CD1 PHE A 77 -1.943 -4.193 -16.975 1.00 0.00 C ATOM 1279 CD2 PHE A 77 -0.336 -5.937 -16.476 1.00 0.00 C ATOM 1280 CE1 PHE A 77 -1.328 -3.982 -18.216 1.00 0.00 C ATOM 1281 CE2 PHE A 77 0.279 -5.727 -17.717 1.00 0.00 C ATOM 1282 CZ PHE A 77 -0.218 -4.750 -18.586 1.00 0.00 C ATOM 0 H PHE A 77 -0.810 -4.248 -12.615 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.629 -3.305 -14.818 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.484 -6.033 -14.145 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.057 -5.923 -14.909 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.800 -3.601 -16.690 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.047 -6.691 -15.804 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.710 -3.227 -18.887 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.136 -6.319 -18.003 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.255 -4.588 -19.543 1.00 0.00 H new ATOM 1292 N LEU A 78 -4.709 -3.922 -13.437 1.00 0.00 N ATOM 1293 CA LEU A 78 -5.840 -4.057 -12.469 1.00 0.00 C ATOM 1294 C LEU A 78 -6.325 -5.509 -12.463 1.00 0.00 C ATOM 1295 O LEU A 78 -6.514 -6.112 -13.501 1.00 0.00 O ATOM 1296 CB LEU A 78 -6.980 -3.135 -12.903 1.00 0.00 C ATOM 1297 CG LEU A 78 -7.606 -2.460 -11.683 1.00 0.00 C ATOM 1298 CD1 LEU A 78 -7.495 -0.945 -11.838 1.00 0.00 C ATOM 1299 CD2 LEU A 78 -9.086 -2.835 -11.584 1.00 0.00 C ATOM 0 H LEU A 78 -4.969 -3.605 -14.371 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.510 -3.781 -11.467 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.604 -2.379 -13.593 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.737 -3.708 -13.439 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.084 -2.789 -10.784 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.940 -0.457 -10.971 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.445 -0.663 -11.914 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.021 -0.632 -12.740 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.527 -2.351 -10.712 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.606 -2.505 -12.484 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.182 -3.916 -11.485 1.00 0.00 H new ATOM 1311 N GLU A 79 -6.525 -6.081 -11.304 1.00 0.00 N ATOM 1312 CA GLU A 79 -6.994 -7.495 -11.248 1.00 0.00 C ATOM 1313 C GLU A 79 -8.024 -7.645 -10.130 1.00 0.00 C ATOM 1314 O GLU A 79 -7.951 -6.983 -9.115 1.00 0.00 O ATOM 1315 CB GLU A 79 -5.803 -8.416 -10.972 1.00 0.00 C ATOM 1316 CG GLU A 79 -6.189 -9.860 -11.302 1.00 0.00 C ATOM 1317 CD GLU A 79 -6.394 -10.643 -10.004 1.00 0.00 C ATOM 1318 OE1 GLU A 79 -6.687 -10.018 -8.998 1.00 0.00 O ATOM 1319 OE2 GLU A 79 -6.253 -11.855 -10.039 1.00 0.00 O ATOM 0 H GLU A 79 -6.384 -5.632 -10.399 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.450 -7.766 -12.200 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.946 -8.111 -11.573 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.503 -8.338 -9.927 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.102 -9.877 -11.897 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.409 -10.328 -11.902 1.00 0.00 H new