USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 627 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 33 TYR OH : rot -74:sc= -4.08! USER MOD Set 1.2: A 70 HIS : no HE2:sc= -1.47! C(o=-5.5!,f=-9.7!) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -115:sc= -1.25 (180deg=-4.49!) USER MOD Single : A 19 ASN : amide:sc= -0.139 K(o=-0.14,f=-2.9!) USER MOD Single : A 23 LYS NZ :NH3+ 153:sc= 0.557 (180deg=0.24) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 15:sc= -0.937 USER MOD Single : A 32 MET CE :methyl 141:sc= -1.5 (180deg=-3.61!) USER MOD Single : A 34 HIS : no HD1:sc= -0.0248 X(o=-0.025,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.8!) USER MOD Single : A 36 THR OG1 : rot -51:sc= 0.683 USER MOD Single : A 37 MET CE :methyl -179:sc= 0 (180deg=-0.00374) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.5 K(o=-1.5,f=-3.4!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -2.2 F(o=-2.7,f=-2.2) USER MOD Single : A 74 TYR OH : rot -96:sc= 0.795 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot -101:sc= -0.0222 USER MOD ----------------------------------------------------------------- ATOM 78 N VAL A 5 -11.531 3.777 0.987 1.00 0.00 N ATOM 79 CA VAL A 5 -10.559 3.252 0.034 1.00 0.00 C ATOM 80 C VAL A 5 -10.067 1.873 0.456 1.00 0.00 C ATOM 81 O VAL A 5 -9.647 1.071 -0.380 1.00 0.00 O ATOM 82 CB VAL A 5 -9.348 4.192 -0.119 1.00 0.00 C ATOM 83 CG1 VAL A 5 -8.478 3.754 -1.290 1.00 0.00 C ATOM 84 CG2 VAL A 5 -9.804 5.636 -0.291 1.00 0.00 C ATOM 0 HA VAL A 5 -11.070 3.177 -0.926 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.750 4.134 0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.627 4.429 -1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.119 2.739 -1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.064 3.780 -2.209 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.933 6.282 -0.397 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.427 5.717 -1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.379 5.943 0.583 1.00 0.00 H new ATOM 94 N ALA A 6 -10.117 1.600 1.757 1.00 0.00 N ATOM 95 CA ALA A 6 -9.677 0.316 2.288 1.00 0.00 C ATOM 96 C ALA A 6 -10.369 -0.841 1.578 1.00 0.00 C ATOM 97 O ALA A 6 -9.729 -1.814 1.179 1.00 0.00 O ATOM 98 CB ALA A 6 -9.932 0.247 3.787 1.00 0.00 C ATOM 0 H ALA A 6 -10.458 2.253 2.463 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.605 0.227 2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.598 -0.718 4.169 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.383 1.045 4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.998 0.365 3.980 1.00 0.00 H new ATOM 104 N ARG A 7 -11.682 -0.721 1.418 1.00 0.00 N ATOM 105 CA ARG A 7 -12.467 -1.752 0.748 1.00 0.00 C ATOM 106 C ARG A 7 -12.039 -1.890 -0.707 1.00 0.00 C ATOM 107 O ARG A 7 -11.733 -2.987 -1.178 1.00 0.00 O ATOM 108 CB ARG A 7 -13.958 -1.419 0.829 1.00 0.00 C ATOM 109 CG ARG A 7 -14.845 -2.640 1.007 1.00 0.00 C ATOM 110 CD ARG A 7 -16.107 -2.545 0.163 1.00 0.00 C ATOM 111 NE ARG A 7 -17.281 -3.042 0.875 1.00 0.00 N ATOM 112 CZ ARG A 7 -18.465 -3.247 0.301 1.00 0.00 C ATOM 113 NH1 ARG A 7 -18.635 -3.001 -0.992 1.00 0.00 N ATOM 114 NH2 ARG A 7 -19.481 -3.701 1.022 1.00 0.00 N ATOM 0 H ARG A 7 -12.225 0.079 1.743 1.00 0.00 H new ATOM 0 HA ARG A 7 -12.290 -2.702 1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -14.124 -0.735 1.661 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -14.254 -0.894 -0.079 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -14.290 -3.537 0.732 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -15.116 -2.743 2.058 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -16.272 -1.507 -0.127 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -15.972 -3.115 -0.756 1.00 0.00 H new ATOM 0 HE ARG A 7 -17.189 -3.244 1.871 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -17.856 -2.653 -1.552 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -19.544 -3.160 -1.426 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -19.355 -3.893 2.016 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -20.388 -3.858 0.583 1.00 0.00 H new ATOM 128 N GLU A 8 -12.014 -0.767 -1.411 1.00 0.00 N ATOM 129 CA GLU A 8 -11.617 -0.750 -2.813 1.00 0.00 C ATOM 130 C GLU A 8 -10.197 -1.284 -2.972 1.00 0.00 C ATOM 131 O GLU A 8 -9.869 -1.916 -3.975 1.00 0.00 O ATOM 132 CB GLU A 8 -11.709 0.669 -3.376 1.00 0.00 C ATOM 133 CG GLU A 8 -13.000 0.939 -4.134 1.00 0.00 C ATOM 134 CD GLU A 8 -12.811 0.901 -5.638 1.00 0.00 C ATOM 135 OE1 GLU A 8 -11.964 0.115 -6.110 1.00 0.00 O ATOM 136 OE2 GLU A 8 -13.513 1.657 -6.343 1.00 0.00 O ATOM 0 H GLU A 8 -12.265 0.147 -1.033 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.298 -1.394 -3.370 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.622 1.383 -2.557 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.863 0.843 -4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.747 0.200 -3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.390 1.915 -3.845 1.00 0.00 H new ATOM 143 N PHE A 9 -9.363 -1.030 -1.969 1.00 0.00 N ATOM 144 CA PHE A 9 -7.981 -1.489 -1.990 1.00 0.00 C ATOM 145 C PHE A 9 -7.923 -3.013 -2.028 1.00 0.00 C ATOM 146 O PHE A 9 -7.208 -3.596 -2.842 1.00 0.00 O ATOM 147 CB PHE A 9 -7.227 -0.967 -0.764 1.00 0.00 C ATOM 148 CG PHE A 9 -5.794 -1.407 -0.706 1.00 0.00 C ATOM 149 CD1 PHE A 9 -4.814 -0.715 -1.400 1.00 0.00 C ATOM 150 CD2 PHE A 9 -5.423 -2.513 0.043 1.00 0.00 C ATOM 151 CE1 PHE A 9 -3.492 -1.118 -1.350 1.00 0.00 C ATOM 152 CE2 PHE A 9 -4.104 -2.921 0.098 1.00 0.00 C ATOM 153 CZ PHE A 9 -3.138 -2.222 -0.600 1.00 0.00 C ATOM 0 H PHE A 9 -9.621 -0.508 -1.131 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.505 -1.099 -2.889 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.264 0.122 -0.762 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.739 -1.305 0.137 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.086 0.150 -1.987 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -6.174 -3.063 0.590 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.738 -0.570 -1.896 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.829 -3.784 0.685 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.106 -2.539 -0.559 1.00 0.00 H new ATOM 163 N ARG A 10 -8.685 -3.649 -1.144 1.00 0.00 N ATOM 164 CA ARG A 10 -8.723 -5.106 -1.080 1.00 0.00 C ATOM 165 C ARG A 10 -9.182 -5.691 -2.411 1.00 0.00 C ATOM 166 O ARG A 10 -8.633 -6.683 -2.888 1.00 0.00 O ATOM 167 CB ARG A 10 -9.656 -5.563 0.045 1.00 0.00 C ATOM 168 CG ARG A 10 -8.925 -5.932 1.326 1.00 0.00 C ATOM 169 CD ARG A 10 -8.961 -4.796 2.334 1.00 0.00 C ATOM 170 NE ARG A 10 -10.072 -4.931 3.274 1.00 0.00 N ATOM 171 CZ ARG A 10 -10.152 -4.272 4.427 1.00 0.00 C ATOM 172 NH1 ARG A 10 -9.190 -3.432 4.788 1.00 0.00 N ATOM 173 NH2 ARG A 10 -11.197 -4.453 5.223 1.00 0.00 N ATOM 0 H ARG A 10 -9.283 -3.180 -0.464 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.716 -5.467 -0.872 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.370 -4.768 0.260 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.230 -6.424 -0.297 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.379 -6.822 1.762 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.890 -6.183 1.096 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.021 -4.771 2.885 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.046 -3.846 1.806 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.831 -5.568 3.032 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.383 -3.289 4.180 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.257 -2.930 5.673 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.939 -5.097 4.951 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.258 -3.948 6.107 1.00 0.00 H new ATOM 187 N HIS A 11 -10.193 -5.066 -3.007 1.00 0.00 N ATOM 188 CA HIS A 11 -10.726 -5.523 -4.286 1.00 0.00 C ATOM 189 C HIS A 11 -9.716 -5.297 -5.407 1.00 0.00 C ATOM 190 O HIS A 11 -9.490 -6.177 -6.238 1.00 0.00 O ATOM 191 CB HIS A 11 -12.033 -4.798 -4.606 1.00 0.00 C ATOM 192 CG HIS A 11 -13.236 -5.427 -3.975 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.994 -6.396 -4.599 1.00 0.00 N ATOM 194 CD2 HIS A 11 -13.813 -5.223 -2.766 1.00 0.00 C ATOM 195 CE1 HIS A 11 -14.983 -6.758 -3.803 1.00 0.00 C ATOM 196 NE2 HIS A 11 -14.896 -6.064 -2.684 1.00 0.00 N ATOM 0 H HIS A 11 -10.659 -4.243 -2.625 1.00 0.00 H new ATOM 0 HA HIS A 11 -10.923 -6.592 -4.209 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -11.956 -3.763 -4.271 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -12.170 -4.774 -5.687 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.483 -4.528 -2.008 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -15.737 -7.498 -4.030 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.529 -6.140 -1.888 1.00 0.00 H new ATOM 205 N LYS A 12 -9.115 -4.112 -5.426 1.00 0.00 N ATOM 206 CA LYS A 12 -8.131 -3.768 -6.445 1.00 0.00 C ATOM 207 C LYS A 12 -6.912 -4.681 -6.360 1.00 0.00 C ATOM 208 O LYS A 12 -6.537 -5.325 -7.338 1.00 0.00 O ATOM 209 CB LYS A 12 -7.702 -2.306 -6.293 1.00 0.00 C ATOM 210 CG LYS A 12 -7.869 -1.491 -7.564 1.00 0.00 C ATOM 211 CD LYS A 12 -6.861 -1.905 -8.623 1.00 0.00 C ATOM 212 CE LYS A 12 -7.236 -1.363 -9.994 1.00 0.00 C ATOM 213 NZ LYS A 12 -7.078 -2.390 -11.061 1.00 0.00 N ATOM 0 H LYS A 12 -9.293 -3.373 -4.746 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.594 -3.906 -7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.286 -1.845 -5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.657 -2.272 -5.984 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.880 -1.620 -7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.747 -0.432 -7.338 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.871 -1.542 -8.346 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.802 -2.993 -8.665 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.269 -1.014 -9.976 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.612 -0.500 -10.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.329 -2.094 -11.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.821 -3.301 -10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.974 -2.493 -11.579 1.00 0.00 H new ATOM 227 N VAL A 13 -6.296 -4.729 -5.183 1.00 0.00 N ATOM 228 CA VAL A 13 -5.118 -5.561 -4.965 1.00 0.00 C ATOM 229 C VAL A 13 -5.373 -7.002 -5.393 1.00 0.00 C ATOM 230 O VAL A 13 -4.540 -7.621 -6.055 1.00 0.00 O ATOM 231 CB VAL A 13 -4.682 -5.544 -3.485 1.00 0.00 C ATOM 232 CG1 VAL A 13 -3.392 -6.328 -3.297 1.00 0.00 C ATOM 233 CG2 VAL A 13 -4.521 -4.113 -2.992 1.00 0.00 C ATOM 0 H VAL A 13 -6.594 -4.200 -4.364 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.319 -5.141 -5.576 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.460 -6.024 -2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.101 -6.304 -2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.546 -7.361 -3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.603 -5.881 -3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.213 -4.121 -1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.764 -3.605 -3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.471 -3.587 -3.087 1.00 0.00 H new ATOM 243 N ASP A 14 -6.531 -7.533 -5.013 1.00 0.00 N ATOM 244 CA ASP A 14 -6.893 -8.900 -5.365 1.00 0.00 C ATOM 245 C ASP A 14 -6.952 -9.071 -6.879 1.00 0.00 C ATOM 246 O ASP A 14 -6.505 -10.082 -7.418 1.00 0.00 O ATOM 247 CB ASP A 14 -8.242 -9.270 -4.744 1.00 0.00 C ATOM 248 CG ASP A 14 -8.413 -10.768 -4.584 1.00 0.00 C ATOM 249 OD1 ASP A 14 -7.395 -11.463 -4.381 1.00 0.00 O ATOM 250 OD2 ASP A 14 -9.564 -11.245 -4.659 1.00 0.00 O ATOM 0 H ASP A 14 -7.233 -7.038 -4.463 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.126 -9.567 -4.970 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.334 -8.790 -3.770 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.046 -8.880 -5.369 1.00 0.00 H new ATOM 255 N PHE A 15 -7.504 -8.069 -7.559 1.00 0.00 N ATOM 256 CA PHE A 15 -7.619 -8.102 -9.012 1.00 0.00 C ATOM 257 C PHE A 15 -6.247 -7.994 -9.670 1.00 0.00 C ATOM 258 O PHE A 15 -5.994 -8.609 -10.706 1.00 0.00 O ATOM 259 CB PHE A 15 -8.521 -6.966 -9.496 1.00 0.00 C ATOM 260 CG PHE A 15 -9.126 -7.212 -10.848 1.00 0.00 C ATOM 261 CD1 PHE A 15 -8.358 -7.102 -11.997 1.00 0.00 C ATOM 262 CD2 PHE A 15 -10.463 -7.555 -10.972 1.00 0.00 C ATOM 263 CE1 PHE A 15 -8.912 -7.327 -13.242 1.00 0.00 C ATOM 264 CE2 PHE A 15 -11.022 -7.782 -12.214 1.00 0.00 C ATOM 265 CZ PHE A 15 -10.246 -7.669 -13.351 1.00 0.00 C ATOM 0 H PHE A 15 -7.878 -7.225 -7.126 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.062 -9.056 -9.296 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -9.321 -6.815 -8.771 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.942 -6.043 -9.529 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.314 -6.837 -11.918 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.075 -7.646 -10.087 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.303 -7.236 -14.129 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -12.066 -8.048 -12.296 1.00 0.00 H new ATOM 0 HZ PHE A 15 -10.681 -7.848 -14.323 1.00 0.00 H new ATOM 275 N LEU A 16 -5.365 -7.205 -9.062 1.00 0.00 N ATOM 276 CA LEU A 16 -4.019 -7.015 -9.591 1.00 0.00 C ATOM 277 C LEU A 16 -3.105 -8.166 -9.187 1.00 0.00 C ATOM 278 O LEU A 16 -2.658 -8.946 -10.029 1.00 0.00 O ATOM 279 CB LEU A 16 -3.436 -5.689 -9.097 1.00 0.00 C ATOM 280 CG LEU A 16 -4.361 -4.479 -9.242 1.00 0.00 C ATOM 281 CD1 LEU A 16 -4.128 -3.489 -8.109 1.00 0.00 C ATOM 282 CD2 LEU A 16 -4.149 -3.809 -10.593 1.00 0.00 C ATOM 0 H LEU A 16 -5.558 -6.688 -8.204 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.085 -6.993 -10.679 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.167 -5.797 -8.046 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.514 -5.489 -9.643 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.394 -4.824 -9.186 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.795 -2.635 -8.229 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.329 -3.975 -7.154 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.093 -3.147 -8.131 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.814 -2.950 -10.681 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.114 -3.477 -10.676 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.367 -4.520 -11.390 1.00 0.00 H new ATOM 294 N ILE A 17 -2.832 -8.262 -7.893 1.00 0.00 N ATOM 295 CA ILE A 17 -1.970 -9.314 -7.368 1.00 0.00 C ATOM 296 C ILE A 17 -2.635 -10.680 -7.480 1.00 0.00 C ATOM 297 O ILE A 17 -2.122 -11.581 -8.145 1.00 0.00 O ATOM 298 CB ILE A 17 -1.602 -9.051 -5.894 1.00 0.00 C ATOM 299 CG1 ILE A 17 -1.071 -7.624 -5.727 1.00 0.00 C ATOM 300 CG2 ILE A 17 -0.574 -10.068 -5.411 1.00 0.00 C ATOM 301 CD1 ILE A 17 -0.611 -7.308 -4.320 1.00 0.00 C ATOM 0 H ILE A 17 -3.195 -7.623 -7.186 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.061 -9.309 -7.970 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.500 -9.159 -5.285 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.239 -7.472 -6.415 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.852 -6.919 -6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.326 -9.867 -4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.987 -11.073 -5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.327 -9.992 -6.020 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.248 -6.281 -4.278 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.446 -7.427 -3.629 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.193 -7.988 -4.039 1.00 0.00 H new ATOM 313 N GLU A 18 -3.783 -10.823 -6.828 1.00 0.00 N ATOM 314 CA GLU A 18 -4.535 -12.077 -6.845 1.00 0.00 C ATOM 315 C GLU A 18 -3.896 -13.131 -5.940 1.00 0.00 C ATOM 316 O GLU A 18 -4.385 -14.258 -5.849 1.00 0.00 O ATOM 317 CB GLU A 18 -4.646 -12.618 -8.274 1.00 0.00 C ATOM 318 CG GLU A 18 -5.833 -13.543 -8.484 1.00 0.00 C ATOM 319 CD GLU A 18 -5.478 -14.775 -9.295 1.00 0.00 C ATOM 320 OE1 GLU A 18 -4.584 -15.532 -8.862 1.00 0.00 O ATOM 321 OE2 GLU A 18 -6.093 -14.979 -10.363 1.00 0.00 O ATOM 0 H GLU A 18 -4.217 -10.082 -6.277 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.533 -11.862 -6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.723 -11.779 -8.966 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.730 -13.154 -8.523 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.224 -13.851 -7.514 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.629 -12.997 -8.990 1.00 0.00 H new ATOM 328 N ASN A 19 -2.805 -12.766 -5.269 1.00 0.00 N ATOM 329 CA ASN A 19 -2.114 -13.689 -4.377 1.00 0.00 C ATOM 330 C ASN A 19 -2.491 -13.427 -2.924 1.00 0.00 C ATOM 331 O ASN A 19 -3.267 -12.518 -2.628 1.00 0.00 O ATOM 332 CB ASN A 19 -0.599 -13.564 -4.553 1.00 0.00 C ATOM 333 CG ASN A 19 0.110 -14.897 -4.424 1.00 0.00 C ATOM 334 OD1 ASN A 19 -0.506 -15.913 -4.104 1.00 0.00 O ATOM 335 ND2 ASN A 19 1.415 -14.900 -4.676 1.00 0.00 N ATOM 0 H ASN A 19 -2.383 -11.839 -5.327 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.421 -14.702 -4.636 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.384 -13.135 -5.531 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.205 -12.873 -3.808 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.946 -15.768 -4.607 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.886 -14.034 -4.938 1.00 0.00 H new ATOM 342 N ASP A 20 -1.939 -14.229 -2.020 1.00 0.00 N ATOM 343 CA ASP A 20 -2.219 -14.083 -0.595 1.00 0.00 C ATOM 344 C ASP A 20 -0.953 -13.720 0.173 1.00 0.00 C ATOM 345 O ASP A 20 -0.987 -12.905 1.095 1.00 0.00 O ATOM 346 CB ASP A 20 -2.818 -15.375 -0.038 1.00 0.00 C ATOM 347 CG ASP A 20 -4.052 -15.815 -0.800 1.00 0.00 C ATOM 348 OD1 ASP A 20 -4.929 -14.963 -1.052 1.00 0.00 O ATOM 349 OD2 ASP A 20 -4.140 -17.012 -1.147 1.00 0.00 O ATOM 0 H ASP A 20 -1.295 -14.987 -2.248 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.940 -13.275 -0.471 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.069 -16.166 -0.077 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.075 -15.230 1.011 1.00 0.00 H new ATOM 354 N ALA A 21 0.162 -14.328 -0.215 1.00 0.00 N ATOM 355 CA ALA A 21 1.440 -14.067 0.435 1.00 0.00 C ATOM 356 C ALA A 21 1.904 -12.641 0.174 1.00 0.00 C ATOM 357 O ALA A 21 2.319 -11.932 1.091 1.00 0.00 O ATOM 358 CB ALA A 21 2.488 -15.061 -0.043 1.00 0.00 C ATOM 0 H ALA A 21 0.207 -15.005 -0.977 1.00 0.00 H new ATOM 0 HA ALA A 21 1.305 -14.187 1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.438 -14.854 0.451 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.166 -16.074 0.199 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.612 -14.968 -1.122 1.00 0.00 H new ATOM 364 N GLU A 22 1.828 -12.227 -1.084 1.00 0.00 N ATOM 365 CA GLU A 22 2.238 -10.883 -1.474 1.00 0.00 C ATOM 366 C GLU A 22 1.390 -9.832 -0.769 1.00 0.00 C ATOM 367 O GLU A 22 1.901 -8.810 -0.311 1.00 0.00 O ATOM 368 CB GLU A 22 2.124 -10.715 -2.991 1.00 0.00 C ATOM 369 CG GLU A 22 2.885 -11.770 -3.777 1.00 0.00 C ATOM 370 CD GLU A 22 4.363 -11.455 -3.901 1.00 0.00 C ATOM 371 OE1 GLU A 22 4.733 -10.699 -4.823 1.00 0.00 O ATOM 372 OE2 GLU A 22 5.148 -11.963 -3.074 1.00 0.00 O ATOM 0 H GLU A 22 1.486 -12.803 -1.853 1.00 0.00 H new ATOM 0 HA GLU A 22 3.277 -10.744 -1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.072 -10.751 -3.274 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.496 -9.728 -3.268 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.764 -12.738 -3.290 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.452 -11.858 -4.773 1.00 0.00 H new ATOM 379 N LYS A 23 0.091 -10.093 -0.682 1.00 0.00 N ATOM 380 CA LYS A 23 -0.834 -9.174 -0.032 1.00 0.00 C ATOM 381 C LYS A 23 -0.550 -9.091 1.464 1.00 0.00 C ATOM 382 O LYS A 23 -0.752 -8.050 2.088 1.00 0.00 O ATOM 383 CB LYS A 23 -2.279 -9.616 -0.270 1.00 0.00 C ATOM 384 CG LYS A 23 -3.193 -8.492 -0.727 1.00 0.00 C ATOM 385 CD LYS A 23 -4.655 -8.899 -0.660 1.00 0.00 C ATOM 386 CE LYS A 23 -4.946 -10.087 -1.562 1.00 0.00 C ATOM 387 NZ LYS A 23 -6.401 -10.224 -1.849 1.00 0.00 N ATOM 0 H LYS A 23 -0.346 -10.936 -1.055 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.693 -8.184 -0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.289 -10.408 -1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.675 -10.043 0.651 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.030 -7.613 -0.103 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.940 -8.209 -1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.917 -9.149 0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.282 -8.057 -0.953 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.400 -9.974 -2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.582 -10.999 -1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.531 -10.699 -2.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.851 -10.787 -1.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.838 -9.281 -1.883 1.00 0.00 H new ATOM 401 N ASP A 24 -0.077 -10.194 2.036 1.00 0.00 N ATOM 402 CA ASP A 24 0.236 -10.240 3.459 1.00 0.00 C ATOM 403 C ASP A 24 1.505 -9.447 3.755 1.00 0.00 C ATOM 404 O ASP A 24 1.651 -8.866 4.831 1.00 0.00 O ATOM 405 CB ASP A 24 0.402 -11.689 3.923 1.00 0.00 C ATOM 406 CG ASP A 24 -0.837 -12.215 4.623 1.00 0.00 C ATOM 407 OD1 ASP A 24 -1.951 -11.993 4.106 1.00 0.00 O ATOM 408 OD2 ASP A 24 -0.690 -12.850 5.688 1.00 0.00 O ATOM 0 H ASP A 24 0.097 -11.066 1.537 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.592 -9.789 4.006 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.626 -12.320 3.063 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.255 -11.756 4.599 1.00 0.00 H new ATOM 413 N TYR A 25 2.419 -9.425 2.790 1.00 0.00 N ATOM 414 CA TYR A 25 3.675 -8.700 2.945 1.00 0.00 C ATOM 415 C TYR A 25 3.437 -7.193 2.927 1.00 0.00 C ATOM 416 O TYR A 25 3.948 -6.464 3.776 1.00 0.00 O ATOM 417 CB TYR A 25 4.652 -9.088 1.833 1.00 0.00 C ATOM 418 CG TYR A 25 6.076 -9.266 2.311 1.00 0.00 C ATOM 419 CD1 TYR A 25 6.814 -8.184 2.774 1.00 0.00 C ATOM 420 CD2 TYR A 25 6.682 -10.516 2.295 1.00 0.00 C ATOM 421 CE1 TYR A 25 8.116 -8.344 3.211 1.00 0.00 C ATOM 422 CE2 TYR A 25 7.984 -10.683 2.729 1.00 0.00 C ATOM 423 CZ TYR A 25 8.696 -9.595 3.186 1.00 0.00 C ATOM 424 OH TYR A 25 9.991 -9.756 3.619 1.00 0.00 O ATOM 0 H TYR A 25 2.314 -9.900 1.894 1.00 0.00 H new ATOM 0 HA TYR A 25 4.107 -8.970 3.909 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.314 -10.016 1.372 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.631 -8.321 1.059 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.364 -7.203 2.793 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.127 -11.371 1.938 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.676 -7.493 3.570 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.441 -11.661 2.710 1.00 0.00 H new ATOM 0 HH TYR A 25 10.249 -10.698 3.537 1.00 0.00 H new ATOM 434 N LEU A 26 2.653 -6.735 1.955 1.00 0.00 N ATOM 435 CA LEU A 26 2.348 -5.315 1.829 1.00 0.00 C ATOM 436 C LEU A 26 1.509 -4.833 3.008 1.00 0.00 C ATOM 437 O LEU A 26 1.654 -3.697 3.461 1.00 0.00 O ATOM 438 CB LEU A 26 1.622 -5.040 0.507 1.00 0.00 C ATOM 439 CG LEU A 26 0.135 -5.407 0.484 1.00 0.00 C ATOM 440 CD1 LEU A 26 -0.705 -4.266 1.033 1.00 0.00 C ATOM 441 CD2 LEU A 26 -0.302 -5.762 -0.929 1.00 0.00 C ATOM 0 H LEU A 26 2.219 -7.325 1.245 1.00 0.00 H new ATOM 0 HA LEU A 26 3.288 -4.763 1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.721 -3.980 0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.127 -5.591 -0.286 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.015 -6.279 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.758 -4.545 1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.408 -4.058 2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.552 -3.375 0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.361 -6.020 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.137 -4.908 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.279 -6.612 -1.287 1.00 0.00 H new ATOM 453 N TYR A 27 0.633 -5.703 3.504 1.00 0.00 N ATOM 454 CA TYR A 27 -0.222 -5.359 4.635 1.00 0.00 C ATOM 455 C TYR A 27 0.602 -5.235 5.912 1.00 0.00 C ATOM 456 O TYR A 27 0.355 -4.359 6.741 1.00 0.00 O ATOM 457 CB TYR A 27 -1.318 -6.412 4.817 1.00 0.00 C ATOM 458 CG TYR A 27 -2.718 -5.847 4.734 1.00 0.00 C ATOM 459 CD1 TYR A 27 -3.163 -4.908 5.656 1.00 0.00 C ATOM 460 CD2 TYR A 27 -3.594 -6.252 3.734 1.00 0.00 C ATOM 461 CE1 TYR A 27 -4.443 -4.388 5.585 1.00 0.00 C ATOM 462 CE2 TYR A 27 -4.875 -5.738 3.657 1.00 0.00 C ATOM 463 CZ TYR A 27 -5.293 -4.806 4.583 1.00 0.00 C ATOM 464 OH TYR A 27 -6.567 -4.291 4.508 1.00 0.00 O ATOM 0 H TYR A 27 0.497 -6.647 3.142 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.691 -4.397 4.428 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.200 -7.183 4.055 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.187 -6.897 5.784 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.499 -4.578 6.441 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.269 -6.980 3.005 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.774 -3.659 6.310 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.545 -6.065 2.875 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.630 -3.490 5.069 1.00 0.00 H new ATOM 474 N ASP A 28 1.585 -6.115 6.059 1.00 0.00 N ATOM 475 CA ASP A 28 2.452 -6.104 7.232 1.00 0.00 C ATOM 476 C ASP A 28 3.263 -4.815 7.286 1.00 0.00 C ATOM 477 O ASP A 28 3.418 -4.211 8.349 1.00 0.00 O ATOM 478 CB ASP A 28 3.388 -7.313 7.212 1.00 0.00 C ATOM 479 CG ASP A 28 2.875 -8.456 8.066 1.00 0.00 C ATOM 480 OD1 ASP A 28 2.241 -8.182 9.106 1.00 0.00 O ATOM 481 OD2 ASP A 28 3.107 -9.626 7.694 1.00 0.00 O ATOM 0 H ASP A 28 1.802 -6.845 5.381 1.00 0.00 H new ATOM 0 HA ASP A 28 1.826 -6.158 8.122 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.511 -7.657 6.185 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.374 -7.012 7.567 1.00 0.00 H new ATOM 486 N VAL A 29 3.776 -4.399 6.134 1.00 0.00 N ATOM 487 CA VAL A 29 4.569 -3.178 6.047 1.00 0.00 C ATOM 488 C VAL A 29 3.727 -1.957 6.398 1.00 0.00 C ATOM 489 O VAL A 29 4.179 -1.061 7.111 1.00 0.00 O ATOM 490 CB VAL A 29 5.167 -2.991 4.640 1.00 0.00 C ATOM 491 CG1 VAL A 29 6.103 -1.792 4.609 1.00 0.00 C ATOM 492 CG2 VAL A 29 5.892 -4.252 4.195 1.00 0.00 C ATOM 0 H VAL A 29 3.657 -4.889 5.247 1.00 0.00 H new ATOM 0 HA VAL A 29 5.384 -3.276 6.765 1.00 0.00 H new ATOM 0 HB VAL A 29 4.350 -2.803 3.943 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.515 -1.678 3.606 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.551 -0.892 4.879 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.915 -1.946 5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.308 -4.100 3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.698 -4.474 4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.191 -5.086 4.172 1.00 0.00 H new ATOM 502 N LEU A 30 2.496 -1.931 5.896 1.00 0.00 N ATOM 503 CA LEU A 30 1.586 -0.822 6.159 1.00 0.00 C ATOM 504 C LEU A 30 1.186 -0.789 7.631 1.00 0.00 C ATOM 505 O LEU A 30 1.189 0.269 8.262 1.00 0.00 O ATOM 506 CB LEU A 30 0.338 -0.938 5.281 1.00 0.00 C ATOM 507 CG LEU A 30 0.541 -0.563 3.812 1.00 0.00 C ATOM 508 CD1 LEU A 30 -0.438 -1.319 2.928 1.00 0.00 C ATOM 509 CD2 LEU A 30 0.385 0.937 3.621 1.00 0.00 C ATOM 0 H LEU A 30 2.106 -2.665 5.305 1.00 0.00 H new ATOM 0 HA LEU A 30 2.103 0.107 5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.028 -1.963 5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.441 -0.300 5.698 1.00 0.00 H new ATOM 0 HG LEU A 30 1.553 -0.844 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.279 -1.039 1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.280 -2.391 3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.458 -1.069 3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.532 1.187 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.615 1.241 3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.126 1.460 4.226 1.00 0.00 H new ATOM 521 N ARG A 31 0.845 -1.956 8.172 1.00 0.00 N ATOM 522 CA ARG A 31 0.446 -2.063 9.571 1.00 0.00 C ATOM 523 C ARG A 31 1.528 -1.502 10.487 1.00 0.00 C ATOM 524 O ARG A 31 1.232 -0.841 11.483 1.00 0.00 O ATOM 525 CB ARG A 31 0.159 -3.521 9.932 1.00 0.00 C ATOM 526 CG ARG A 31 -1.280 -3.939 9.674 1.00 0.00 C ATOM 527 CD ARG A 31 -2.238 -3.272 10.647 1.00 0.00 C ATOM 528 NE ARG A 31 -2.637 -4.172 11.727 1.00 0.00 N ATOM 529 CZ ARG A 31 -3.556 -5.126 11.597 1.00 0.00 C ATOM 530 NH1 ARG A 31 -4.173 -5.308 10.436 1.00 0.00 N ATOM 531 NH2 ARG A 31 -3.860 -5.899 12.631 1.00 0.00 N ATOM 0 H ARG A 31 0.837 -2.840 7.663 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.463 -1.478 9.711 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.825 -4.166 9.359 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.391 -3.678 10.985 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.558 -3.679 8.653 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.366 -5.022 9.762 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.766 -2.385 11.070 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.125 -2.935 10.110 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.184 -4.063 12.634 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.944 -4.715 9.638 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.876 -6.041 10.342 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.390 -5.762 13.526 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.564 -6.630 12.532 1.00 0.00 H new ATOM 545 N MET A 32 2.781 -1.767 10.139 1.00 0.00 N ATOM 546 CA MET A 32 3.909 -1.286 10.925 1.00 0.00 C ATOM 547 C MET A 32 4.245 0.154 10.552 1.00 0.00 C ATOM 548 O MET A 32 4.691 0.937 11.393 1.00 0.00 O ATOM 549 CB MET A 32 5.131 -2.181 10.705 1.00 0.00 C ATOM 550 CG MET A 32 5.206 -3.352 11.672 1.00 0.00 C ATOM 551 SD MET A 32 6.899 -3.897 11.968 1.00 0.00 S ATOM 552 CE MET A 32 7.614 -2.415 12.675 1.00 0.00 C ATOM 0 H MET A 32 3.041 -2.313 9.317 1.00 0.00 H new ATOM 0 HA MET A 32 3.632 -1.319 11.979 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.113 -2.563 9.684 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.035 -1.580 10.804 1.00 0.00 H new ATOM 0 HG2 MET A 32 4.749 -3.066 12.619 1.00 0.00 H new ATOM 0 HG3 MET A 32 4.624 -4.184 11.276 1.00 0.00 H new ATOM 0 HE1 MET A 32 8.293 -2.688 13.482 1.00 0.00 H new ATOM 0 HE2 MET A 32 8.164 -1.874 11.905 1.00 0.00 H new ATOM 0 HE3 MET A 32 6.820 -1.780 13.068 1.00 0.00 H new ATOM 562 N TYR A 33 4.022 0.498 9.288 1.00 0.00 N ATOM 563 CA TYR A 33 4.296 1.845 8.800 1.00 0.00 C ATOM 564 C TYR A 33 3.477 2.877 9.571 1.00 0.00 C ATOM 565 O TYR A 33 3.901 4.019 9.741 1.00 0.00 O ATOM 566 CB TYR A 33 3.986 1.939 7.303 1.00 0.00 C ATOM 567 CG TYR A 33 4.131 3.335 6.734 1.00 0.00 C ATOM 568 CD1 TYR A 33 5.173 4.164 7.130 1.00 0.00 C ATOM 569 CD2 TYR A 33 3.223 3.822 5.802 1.00 0.00 C ATOM 570 CE1 TYR A 33 5.307 5.438 6.613 1.00 0.00 C ATOM 571 CE2 TYR A 33 3.352 5.096 5.280 1.00 0.00 C ATOM 572 CZ TYR A 33 4.395 5.899 5.690 1.00 0.00 C ATOM 573 OH TYR A 33 4.525 7.168 5.173 1.00 0.00 O ATOM 0 H TYR A 33 3.652 -0.138 8.582 1.00 0.00 H new ATOM 0 HA TYR A 33 5.354 2.057 8.957 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.650 1.265 6.761 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.968 1.590 7.130 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.890 3.807 7.854 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.404 3.196 5.480 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.123 6.070 6.931 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.639 5.460 4.555 1.00 0.00 H new ATOM 0 HH TYR A 33 4.264 7.826 5.851 1.00 0.00 H new ATOM 583 N HIS A 34 2.301 2.467 10.033 1.00 0.00 N ATOM 584 CA HIS A 34 1.424 3.356 10.785 1.00 0.00 C ATOM 585 C HIS A 34 2.012 3.667 12.159 1.00 0.00 C ATOM 586 O HIS A 34 2.078 4.825 12.570 1.00 0.00 O ATOM 587 CB HIS A 34 0.038 2.731 10.942 1.00 0.00 C ATOM 588 CG HIS A 34 -0.797 2.807 9.701 1.00 0.00 C ATOM 589 ND1 HIS A 34 -2.117 2.410 9.656 1.00 0.00 N ATOM 590 CD2 HIS A 34 -0.493 3.240 8.455 1.00 0.00 C ATOM 591 CE1 HIS A 34 -2.588 2.593 8.434 1.00 0.00 C ATOM 592 NE2 HIS A 34 -1.623 3.097 7.687 1.00 0.00 N ATOM 0 H HIS A 34 1.933 1.525 9.900 1.00 0.00 H new ATOM 0 HA HIS A 34 1.332 4.288 10.228 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.150 1.686 11.231 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.488 3.232 11.755 1.00 0.00 H new ATOM 0 HD2 HIS A 34 0.460 3.626 8.126 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.591 2.368 8.103 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -1.703 3.341 6.700 1.00 0.00 H new ATOM 601 N GLN A 35 2.435 2.624 12.865 1.00 0.00 N ATOM 602 CA GLN A 35 3.016 2.784 14.194 1.00 0.00 C ATOM 603 C GLN A 35 4.433 3.342 14.113 1.00 0.00 C ATOM 604 O GLN A 35 4.812 4.219 14.889 1.00 0.00 O ATOM 605 CB GLN A 35 3.022 1.446 14.935 1.00 0.00 C ATOM 606 CG GLN A 35 1.777 1.208 15.774 1.00 0.00 C ATOM 607 CD GLN A 35 1.367 -0.251 15.811 1.00 0.00 C ATOM 608 OE1 GLN A 35 1.606 -0.998 14.863 1.00 0.00 O ATOM 609 NE2 GLN A 35 0.744 -0.663 16.909 1.00 0.00 N ATOM 0 H GLN A 35 2.387 1.659 12.540 1.00 0.00 H new ATOM 0 HA GLN A 35 2.401 3.495 14.745 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.120 0.639 14.209 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.899 1.402 15.581 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.957 1.557 16.791 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.955 1.802 15.374 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.567 -0.008 17.671 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.443 -1.634 16.991 1.00 0.00 H new ATOM 618 N THR A 36 5.212 2.822 13.173 1.00 0.00 N ATOM 619 CA THR A 36 6.591 3.262 12.991 1.00 0.00 C ATOM 620 C THR A 36 6.647 4.621 12.301 1.00 0.00 C ATOM 621 O THR A 36 7.477 5.465 12.637 1.00 0.00 O ATOM 622 CB THR A 36 7.374 2.232 12.177 1.00 0.00 C ATOM 623 OG1 THR A 36 6.825 2.096 10.878 1.00 0.00 O ATOM 624 CG2 THR A 36 7.398 0.859 12.813 1.00 0.00 C ATOM 0 H THR A 36 4.913 2.094 12.524 1.00 0.00 H new ATOM 0 HA THR A 36 7.045 3.359 13.977 1.00 0.00 H new ATOM 0 HB THR A 36 8.395 2.612 12.136 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.859 1.946 10.945 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.970 0.177 12.184 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.863 0.922 13.797 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.378 0.488 12.917 1.00 0.00 H new ATOM 632 N MET A 37 5.759 4.825 11.332 1.00 0.00 N ATOM 633 CA MET A 37 5.707 6.081 10.593 1.00 0.00 C ATOM 634 C MET A 37 6.985 6.293 9.786 1.00 0.00 C ATOM 635 O MET A 37 7.479 7.415 9.667 1.00 0.00 O ATOM 636 CB MET A 37 5.494 7.256 11.550 1.00 0.00 C ATOM 637 CG MET A 37 4.285 7.091 12.456 1.00 0.00 C ATOM 638 SD MET A 37 3.340 8.615 12.644 1.00 0.00 S ATOM 639 CE MET A 37 1.749 8.108 11.996 1.00 0.00 C ATOM 0 H MET A 37 5.066 4.136 11.041 1.00 0.00 H new ATOM 0 HA MET A 37 4.866 6.029 9.901 1.00 0.00 H new ATOM 0 HB2 MET A 37 6.385 7.378 12.166 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.380 8.171 10.969 1.00 0.00 H new ATOM 0 HG2 MET A 37 3.636 6.314 12.051 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.616 6.750 13.437 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.058 8.950 12.028 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.866 7.774 10.965 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.354 7.291 12.600 1.00 0.00 H new ATOM 649 N ASP A 38 7.516 5.207 9.233 1.00 0.00 N ATOM 650 CA ASP A 38 8.737 5.274 8.436 1.00 0.00 C ATOM 651 C ASP A 38 8.426 5.122 6.951 1.00 0.00 C ATOM 652 O ASP A 38 8.246 4.011 6.454 1.00 0.00 O ATOM 653 CB ASP A 38 9.721 4.187 8.877 1.00 0.00 C ATOM 654 CG ASP A 38 10.159 4.356 10.319 1.00 0.00 C ATOM 655 OD1 ASP A 38 10.434 5.504 10.724 1.00 0.00 O ATOM 656 OD2 ASP A 38 10.230 3.339 11.039 1.00 0.00 O ATOM 0 H ASP A 38 7.121 4.271 9.322 1.00 0.00 H new ATOM 0 HA ASP A 38 9.192 6.252 8.596 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.257 3.208 8.753 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.597 4.209 8.229 1.00 0.00 H new ATOM 661 N VAL A 39 8.363 6.249 6.249 1.00 0.00 N ATOM 662 CA VAL A 39 8.071 6.244 4.819 1.00 0.00 C ATOM 663 C VAL A 39 9.139 5.481 4.042 1.00 0.00 C ATOM 664 O VAL A 39 8.827 4.671 3.171 1.00 0.00 O ATOM 665 CB VAL A 39 7.972 7.677 4.261 1.00 0.00 C ATOM 666 CG1 VAL A 39 7.501 7.656 2.814 1.00 0.00 C ATOM 667 CG2 VAL A 39 7.042 8.524 5.119 1.00 0.00 C ATOM 0 H VAL A 39 8.510 7.177 6.646 1.00 0.00 H new ATOM 0 HA VAL A 39 7.110 5.746 4.694 1.00 0.00 H new ATOM 0 HB VAL A 39 8.965 8.126 4.290 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.437 8.677 2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.209 7.090 2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.519 7.187 2.758 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.986 9.532 4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.047 8.079 5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.427 8.568 6.138 1.00 0.00 H new ATOM 677 N ALA A 40 10.402 5.751 4.362 1.00 0.00 N ATOM 678 CA ALA A 40 11.518 5.091 3.692 1.00 0.00 C ATOM 679 C ALA A 40 11.415 3.574 3.806 1.00 0.00 C ATOM 680 O ALA A 40 11.775 2.847 2.881 1.00 0.00 O ATOM 681 CB ALA A 40 12.839 5.578 4.270 1.00 0.00 C ATOM 0 H ALA A 40 10.677 6.421 5.080 1.00 0.00 H new ATOM 0 HA ALA A 40 11.477 5.349 2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.664 5.079 3.762 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.924 6.655 4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.876 5.349 5.335 1.00 0.00 H new ATOM 687 N VAL A 41 10.923 3.103 4.948 1.00 0.00 N ATOM 688 CA VAL A 41 10.775 1.672 5.182 1.00 0.00 C ATOM 689 C VAL A 41 9.612 1.100 4.379 1.00 0.00 C ATOM 690 O VAL A 41 9.676 -0.027 3.890 1.00 0.00 O ATOM 691 CB VAL A 41 10.553 1.366 6.675 1.00 0.00 C ATOM 692 CG1 VAL A 41 10.566 -0.136 6.922 1.00 0.00 C ATOM 693 CG2 VAL A 41 11.607 2.060 7.524 1.00 0.00 C ATOM 0 H VAL A 41 10.621 3.691 5.724 1.00 0.00 H new ATOM 0 HA VAL A 41 11.703 1.202 4.857 1.00 0.00 H new ATOM 0 HB VAL A 41 9.574 1.750 6.963 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.408 -0.332 7.983 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.771 -0.607 6.343 1.00 0.00 H new ATOM 0 HG13 VAL A 41 11.529 -0.547 6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.434 1.833 8.576 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.597 1.708 7.234 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.546 3.137 7.371 1.00 0.00 H new ATOM 703 N LEU A 42 8.547 1.885 4.247 1.00 0.00 N ATOM 704 CA LEU A 42 7.368 1.456 3.504 1.00 0.00 C ATOM 705 C LEU A 42 7.670 1.355 2.013 1.00 0.00 C ATOM 706 O LEU A 42 7.368 0.344 1.376 1.00 0.00 O ATOM 707 CB LEU A 42 6.211 2.429 3.735 1.00 0.00 C ATOM 708 CG LEU A 42 4.928 2.101 2.969 1.00 0.00 C ATOM 709 CD1 LEU A 42 4.056 1.149 3.773 1.00 0.00 C ATOM 710 CD2 LEU A 42 4.165 3.374 2.635 1.00 0.00 C ATOM 0 H LEU A 42 8.477 2.821 4.645 1.00 0.00 H new ATOM 0 HA LEU A 42 7.082 0.469 3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.984 2.453 4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.537 3.431 3.456 1.00 0.00 H new ATOM 0 HG LEU A 42 5.201 1.610 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.148 0.927 3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.603 0.225 3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.792 1.612 4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.255 3.121 2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.903 3.894 3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.789 4.021 2.018 1.00 0.00 H new ATOM 722 N VAL A 43 8.264 2.407 1.460 1.00 0.00 N ATOM 723 CA VAL A 43 8.604 2.436 0.042 1.00 0.00 C ATOM 724 C VAL A 43 9.509 1.266 -0.334 1.00 0.00 C ATOM 725 O VAL A 43 9.283 0.592 -1.338 1.00 0.00 O ATOM 726 CB VAL A 43 9.306 3.753 -0.340 1.00 0.00 C ATOM 727 CG1 VAL A 43 9.471 3.852 -1.850 1.00 0.00 C ATOM 728 CG2 VAL A 43 8.530 4.948 0.199 1.00 0.00 C ATOM 0 H VAL A 43 8.520 3.251 1.972 1.00 0.00 H new ATOM 0 HA VAL A 43 7.666 2.357 -0.508 1.00 0.00 H new ATOM 0 HB VAL A 43 10.298 3.759 0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.969 4.789 -2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.072 3.015 -2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.491 3.823 -2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.041 5.870 -0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.524 4.949 -0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.469 4.882 1.285 1.00 0.00 H new ATOM 738 N GLY A 44 10.534 1.031 0.481 1.00 0.00 N ATOM 739 CA GLY A 44 11.457 -0.057 0.216 1.00 0.00 C ATOM 740 C GLY A 44 10.783 -1.415 0.266 1.00 0.00 C ATOM 741 O GLY A 44 10.878 -2.198 -0.679 1.00 0.00 O ATOM 0 H GLY A 44 10.741 1.574 1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.909 0.085 -0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.266 -0.029 0.946 1.00 0.00 H new ATOM 745 N ASP A 45 10.105 -1.697 1.373 1.00 0.00 N ATOM 746 CA ASP A 45 9.415 -2.971 1.545 1.00 0.00 C ATOM 747 C ASP A 45 8.359 -3.170 0.462 1.00 0.00 C ATOM 748 O ASP A 45 8.273 -4.236 -0.148 1.00 0.00 O ATOM 749 CB ASP A 45 8.765 -3.038 2.931 1.00 0.00 C ATOM 750 CG ASP A 45 9.365 -4.129 3.797 1.00 0.00 C ATOM 751 OD1 ASP A 45 10.358 -3.849 4.502 1.00 0.00 O ATOM 752 OD2 ASP A 45 8.844 -5.263 3.769 1.00 0.00 O ATOM 0 H ASP A 45 10.018 -1.060 2.165 1.00 0.00 H new ATOM 0 HA ASP A 45 10.151 -3.770 1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.880 -2.076 3.431 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.695 -3.213 2.820 1.00 0.00 H new ATOM 757 N LEU A 46 7.554 -2.137 0.229 1.00 0.00 N ATOM 758 CA LEU A 46 6.502 -2.198 -0.779 1.00 0.00 C ATOM 759 C LEU A 46 7.081 -2.525 -2.152 1.00 0.00 C ATOM 760 O LEU A 46 6.444 -3.200 -2.961 1.00 0.00 O ATOM 761 CB LEU A 46 5.741 -0.872 -0.834 1.00 0.00 C ATOM 762 CG LEU A 46 4.567 -0.759 0.137 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.899 0.602 0.012 1.00 0.00 C ATOM 764 CD2 LEU A 46 3.560 -1.872 -0.113 1.00 0.00 C ATOM 0 H LEU A 46 7.611 -1.248 0.725 1.00 0.00 H new ATOM 0 HA LEU A 46 5.811 -2.993 -0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.440 -0.061 -0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.369 -0.726 -1.848 1.00 0.00 H new ATOM 0 HG LEU A 46 4.950 -0.862 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.065 0.664 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.622 1.385 0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.530 0.734 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.730 -1.776 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.184 -1.800 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.044 -2.839 0.028 1.00 0.00 H new ATOM 776 N LYS A 47 8.291 -2.041 -2.409 1.00 0.00 N ATOM 777 CA LYS A 47 8.954 -2.283 -3.685 1.00 0.00 C ATOM 778 C LYS A 47 9.404 -3.737 -3.794 1.00 0.00 C ATOM 779 O LYS A 47 9.258 -4.365 -4.843 1.00 0.00 O ATOM 780 CB LYS A 47 10.153 -1.346 -3.847 1.00 0.00 C ATOM 781 CG LYS A 47 10.081 -0.477 -5.093 1.00 0.00 C ATOM 782 CD LYS A 47 9.966 0.999 -4.740 1.00 0.00 C ATOM 783 CE LYS A 47 11.326 1.605 -4.432 1.00 0.00 C ATOM 784 NZ LYS A 47 12.028 2.050 -5.668 1.00 0.00 N ATOM 0 H LYS A 47 8.832 -1.479 -1.752 1.00 0.00 H new ATOM 0 HA LYS A 47 8.240 -2.083 -4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.223 -0.703 -2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.066 -1.940 -3.881 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.971 -0.638 -5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.224 -0.775 -5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.505 1.538 -5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.310 1.118 -3.878 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.201 2.454 -3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.940 0.872 -3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.951 2.457 -5.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.170 1.236 -6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.454 2.768 -6.154 1.00 0.00 H new ATOM 798 N LEU A 48 9.955 -4.264 -2.702 1.00 0.00 N ATOM 799 CA LEU A 48 10.431 -5.643 -2.672 1.00 0.00 C ATOM 800 C LEU A 48 9.315 -6.613 -3.053 1.00 0.00 C ATOM 801 O LEU A 48 9.478 -7.437 -3.953 1.00 0.00 O ATOM 802 CB LEU A 48 10.966 -5.989 -1.281 1.00 0.00 C ATOM 803 CG LEU A 48 12.280 -5.300 -0.904 1.00 0.00 C ATOM 804 CD1 LEU A 48 12.274 -4.901 0.563 1.00 0.00 C ATOM 805 CD2 LEU A 48 13.462 -6.210 -1.208 1.00 0.00 C ATOM 0 H LEU A 48 10.082 -3.756 -1.827 1.00 0.00 H new ATOM 0 HA LEU A 48 11.237 -5.738 -3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.210 -5.726 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.109 -7.068 -1.221 1.00 0.00 H new ATOM 0 HG LEU A 48 12.379 -4.394 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.216 -4.413 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.449 -4.213 0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.152 -5.790 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.389 -5.706 -0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.368 -7.132 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.477 -6.444 -2.272 1.00 0.00 H new ATOM 817 N VAL A 49 8.182 -6.504 -2.368 1.00 0.00 N ATOM 818 CA VAL A 49 7.042 -7.368 -2.645 1.00 0.00 C ATOM 819 C VAL A 49 6.514 -7.119 -4.053 1.00 0.00 C ATOM 820 O VAL A 49 6.253 -8.052 -4.812 1.00 0.00 O ATOM 821 CB VAL A 49 5.912 -7.154 -1.612 1.00 0.00 C ATOM 822 CG1 VAL A 49 5.041 -5.952 -1.960 1.00 0.00 C ATOM 823 CG2 VAL A 49 5.064 -8.411 -1.478 1.00 0.00 C ATOM 0 H VAL A 49 8.029 -5.828 -1.620 1.00 0.00 H new ATOM 0 HA VAL A 49 7.382 -8.401 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 49 6.384 -6.945 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.260 -5.839 -1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.655 -5.052 -1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.584 -6.105 -2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.274 -8.241 -0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.619 -8.654 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.691 -9.240 -1.149 1.00 0.00 H new ATOM 833 N ILE A 50 6.371 -5.845 -4.389 1.00 0.00 N ATOM 834 CA ILE A 50 5.885 -5.445 -5.703 1.00 0.00 C ATOM 835 C ILE A 50 6.897 -5.828 -6.787 1.00 0.00 C ATOM 836 O ILE A 50 6.820 -6.913 -7.363 1.00 0.00 O ATOM 837 CB ILE A 50 5.599 -3.922 -5.745 1.00 0.00 C ATOM 838 CG1 ILE A 50 4.350 -3.600 -4.919 1.00 0.00 C ATOM 839 CG2 ILE A 50 5.437 -3.419 -7.176 1.00 0.00 C ATOM 840 CD1 ILE A 50 4.329 -2.188 -4.378 1.00 0.00 C ATOM 0 H ILE A 50 6.586 -5.066 -3.766 1.00 0.00 H new ATOM 0 HA ILE A 50 4.951 -5.973 -5.896 1.00 0.00 H new ATOM 0 HB ILE A 50 6.457 -3.407 -5.312 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.466 -3.757 -5.537 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.285 -4.300 -4.086 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.238 -2.347 -7.165 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.352 -3.612 -7.735 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.605 -3.938 -7.652 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.416 -2.032 -3.804 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.194 -2.032 -3.733 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.362 -1.480 -5.206 1.00 0.00 H new ATOM 852 N ASN A 51 7.848 -4.937 -7.048 1.00 0.00 N ATOM 853 CA ASN A 51 8.884 -5.180 -8.049 1.00 0.00 C ATOM 854 C ASN A 51 8.286 -5.591 -9.393 1.00 0.00 C ATOM 855 O ASN A 51 8.807 -6.481 -10.066 1.00 0.00 O ATOM 856 CB ASN A 51 9.849 -6.261 -7.558 1.00 0.00 C ATOM 857 CG ASN A 51 10.916 -5.706 -6.635 1.00 0.00 C ATOM 858 OD1 ASN A 51 11.208 -4.511 -6.650 1.00 0.00 O ATOM 859 ND2 ASN A 51 11.507 -6.577 -5.823 1.00 0.00 N ATOM 0 H ASN A 51 7.924 -4.035 -6.578 1.00 0.00 H new ATOM 0 HA ASN A 51 9.426 -4.246 -8.195 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.288 -7.036 -7.036 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.325 -6.736 -8.416 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.233 -6.263 -5.180 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.234 -7.560 -5.843 1.00 0.00 H new ATOM 866 N GLU A 52 7.198 -4.934 -9.786 1.00 0.00 N ATOM 867 CA GLU A 52 6.541 -5.234 -11.054 1.00 0.00 C ATOM 868 C GLU A 52 5.682 -4.057 -11.517 1.00 0.00 C ATOM 869 O GLU A 52 4.823 -3.580 -10.776 1.00 0.00 O ATOM 870 CB GLU A 52 5.669 -6.485 -10.927 1.00 0.00 C ATOM 871 CG GLU A 52 6.434 -7.724 -10.493 1.00 0.00 C ATOM 872 CD GLU A 52 5.582 -8.978 -10.536 1.00 0.00 C ATOM 873 OE1 GLU A 52 4.865 -9.173 -11.540 1.00 0.00 O ATOM 874 OE2 GLU A 52 5.634 -9.763 -9.568 1.00 0.00 O ATOM 0 H GLU A 52 6.754 -4.192 -9.246 1.00 0.00 H new ATOM 0 HA GLU A 52 7.319 -5.414 -11.795 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.873 -6.290 -10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.191 -6.682 -11.886 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.302 -7.856 -11.139 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.810 -7.579 -9.480 1.00 0.00 H new ATOM 881 N PRO A 53 5.898 -3.571 -12.754 1.00 0.00 N ATOM 882 CA PRO A 53 5.129 -2.450 -13.303 1.00 0.00 C ATOM 883 C PRO A 53 3.625 -2.701 -13.250 1.00 0.00 C ATOM 884 O PRO A 53 2.831 -1.763 -13.201 1.00 0.00 O ATOM 885 CB PRO A 53 5.603 -2.363 -14.758 1.00 0.00 C ATOM 886 CG PRO A 53 6.949 -3.002 -14.759 1.00 0.00 C ATOM 887 CD PRO A 53 6.897 -4.079 -13.713 1.00 0.00 C ATOM 0 HA PRO A 53 5.289 -1.533 -12.735 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.918 -2.882 -15.429 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.656 -1.328 -15.095 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.182 -3.420 -15.738 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.727 -2.273 -14.531 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.597 -5.037 -14.137 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.868 -4.229 -13.241 1.00 0.00 H new ATOM 895 N SER A 54 3.243 -3.974 -13.262 1.00 0.00 N ATOM 896 CA SER A 54 1.834 -4.347 -13.214 1.00 0.00 C ATOM 897 C SER A 54 1.219 -3.994 -11.863 1.00 0.00 C ATOM 898 O SER A 54 0.029 -3.695 -11.771 1.00 0.00 O ATOM 899 CB SER A 54 1.672 -5.844 -13.483 1.00 0.00 C ATOM 900 OG SER A 54 2.384 -6.233 -14.645 1.00 0.00 O ATOM 0 H SER A 54 3.888 -4.763 -13.304 1.00 0.00 H new ATOM 0 HA SER A 54 1.311 -3.785 -13.988 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.032 -6.412 -12.625 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.615 -6.083 -13.603 1.00 0.00 H new ATOM 0 HG SER A 54 2.266 -7.194 -14.794 1.00 0.00 H new ATOM 906 N ARG A 55 2.040 -4.031 -10.816 1.00 0.00 N ATOM 907 CA ARG A 55 1.576 -3.717 -9.469 1.00 0.00 C ATOM 908 C ARG A 55 1.709 -2.225 -9.164 1.00 0.00 C ATOM 909 O ARG A 55 1.144 -1.732 -8.188 1.00 0.00 O ATOM 910 CB ARG A 55 2.359 -4.525 -8.432 1.00 0.00 C ATOM 911 CG ARG A 55 2.619 -5.968 -8.837 1.00 0.00 C ATOM 912 CD ARG A 55 3.742 -6.579 -8.013 1.00 0.00 C ATOM 913 NE ARG A 55 3.237 -7.347 -6.878 1.00 0.00 N ATOM 914 CZ ARG A 55 2.829 -8.613 -6.961 1.00 0.00 C ATOM 915 NH1 ARG A 55 2.847 -9.251 -8.124 1.00 0.00 N ATOM 916 NH2 ARG A 55 2.397 -9.240 -5.876 1.00 0.00 N ATOM 0 H ARG A 55 3.029 -4.275 -10.875 1.00 0.00 H new ATOM 0 HA ARG A 55 0.521 -3.985 -9.416 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.314 -4.032 -8.249 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.810 -4.516 -7.490 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.709 -6.554 -8.707 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.877 -6.010 -9.895 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.346 -7.227 -8.648 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.397 -5.787 -7.651 1.00 0.00 H new ATOM 0 HE ARG A 55 3.194 -6.887 -5.968 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.175 -8.773 -8.963 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.533 -10.220 -8.179 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.377 -8.754 -4.980 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.084 -10.209 -5.937 1.00 0.00 H new ATOM 930 N LEU A 56 2.463 -1.507 -9.998 1.00 0.00 N ATOM 931 CA LEU A 56 2.670 -0.072 -9.804 1.00 0.00 C ATOM 932 C LEU A 56 1.348 0.651 -9.531 1.00 0.00 C ATOM 933 O LEU A 56 1.240 1.415 -8.573 1.00 0.00 O ATOM 934 CB LEU A 56 3.358 0.539 -11.025 1.00 0.00 C ATOM 935 CG LEU A 56 4.886 0.578 -10.954 1.00 0.00 C ATOM 936 CD1 LEU A 56 5.471 1.005 -12.291 1.00 0.00 C ATOM 937 CD2 LEU A 56 5.342 1.516 -9.848 1.00 0.00 C ATOM 0 H LEU A 56 2.939 -1.895 -10.812 1.00 0.00 H new ATOM 0 HA LEU A 56 3.312 0.054 -8.932 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.065 -0.026 -11.909 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.989 1.556 -11.160 1.00 0.00 H new ATOM 0 HG LEU A 56 5.247 -0.425 -10.726 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.559 1.027 -12.222 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.171 0.296 -13.063 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.104 1.998 -12.548 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.431 1.532 -9.811 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.971 2.521 -10.047 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.952 1.168 -8.892 1.00 0.00 H new ATOM 949 N PRO A 57 0.320 0.416 -10.367 1.00 0.00 N ATOM 950 CA PRO A 57 -0.991 1.052 -10.196 1.00 0.00 C ATOM 951 C PRO A 57 -1.527 0.897 -8.776 1.00 0.00 C ATOM 952 O PRO A 57 -2.336 1.703 -8.315 1.00 0.00 O ATOM 953 CB PRO A 57 -1.881 0.304 -11.189 1.00 0.00 C ATOM 954 CG PRO A 57 -0.947 -0.189 -12.239 1.00 0.00 C ATOM 955 CD PRO A 57 0.351 -0.483 -11.537 1.00 0.00 C ATOM 0 HA PRO A 57 -0.949 2.127 -10.369 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.405 -0.521 -10.707 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.641 0.961 -11.612 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.340 -1.084 -12.722 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.808 0.559 -13.019 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.418 -1.529 -11.238 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.209 -0.279 -12.177 1.00 0.00 H new ATOM 963 N LEU A 58 -1.072 -0.146 -8.087 1.00 0.00 N ATOM 964 CA LEU A 58 -1.505 -0.409 -6.719 1.00 0.00 C ATOM 965 C LEU A 58 -1.177 0.769 -5.805 1.00 0.00 C ATOM 966 O LEU A 58 -1.964 1.123 -4.928 1.00 0.00 O ATOM 967 CB LEU A 58 -0.839 -1.680 -6.190 1.00 0.00 C ATOM 968 CG LEU A 58 -1.326 -2.143 -4.812 1.00 0.00 C ATOM 969 CD1 LEU A 58 -1.985 -3.511 -4.907 1.00 0.00 C ATOM 970 CD2 LEU A 58 -0.171 -2.173 -3.820 1.00 0.00 C ATOM 0 H LEU A 58 -0.403 -0.823 -8.454 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.586 -0.547 -6.727 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.006 -2.484 -6.906 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.237 -1.515 -6.141 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.069 -1.430 -4.454 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.323 -3.821 -3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.839 -3.457 -5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.266 -4.236 -5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.535 -2.504 -2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.595 -2.863 -4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.255 -1.174 -3.727 1.00 0.00 H new ATOM 982 N PHE A 59 -0.011 1.373 -6.019 1.00 0.00 N ATOM 983 CA PHE A 59 0.426 2.513 -5.216 1.00 0.00 C ATOM 984 C PHE A 59 -0.665 3.578 -5.138 1.00 0.00 C ATOM 985 O PHE A 59 -0.832 4.242 -4.112 1.00 0.00 O ATOM 986 CB PHE A 59 1.700 3.121 -5.808 1.00 0.00 C ATOM 987 CG PHE A 59 2.944 2.338 -5.498 1.00 0.00 C ATOM 988 CD1 PHE A 59 3.199 1.132 -6.134 1.00 0.00 C ATOM 989 CD2 PHE A 59 3.864 2.810 -4.575 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.345 0.413 -5.854 1.00 0.00 C ATOM 991 CE2 PHE A 59 5.011 2.095 -4.289 1.00 0.00 C ATOM 992 CZ PHE A 59 5.251 0.894 -4.928 1.00 0.00 C ATOM 0 H PHE A 59 0.650 1.092 -6.743 1.00 0.00 H new ATOM 0 HA PHE A 59 0.633 2.155 -4.208 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.588 3.195 -6.890 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.817 4.137 -5.430 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.493 0.750 -6.857 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.682 3.749 -4.073 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.533 -0.524 -6.358 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.719 2.474 -3.567 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.146 0.332 -4.704 1.00 0.00 H new ATOM 1002 N ASP A 60 -1.404 3.736 -6.231 1.00 0.00 N ATOM 1003 CA ASP A 60 -2.479 4.720 -6.294 1.00 0.00 C ATOM 1004 C ASP A 60 -3.461 4.539 -5.143 1.00 0.00 C ATOM 1005 O ASP A 60 -3.804 5.497 -4.456 1.00 0.00 O ATOM 1006 CB ASP A 60 -3.217 4.614 -7.630 1.00 0.00 C ATOM 1007 CG ASP A 60 -3.937 5.897 -7.997 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -3.284 6.806 -8.550 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -5.153 5.990 -7.730 1.00 0.00 O ATOM 0 H ASP A 60 -1.278 3.195 -7.086 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.031 5.710 -6.208 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.505 4.363 -8.416 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.938 3.798 -7.580 1.00 0.00 H new ATOM 1014 N ALA A 61 -3.909 3.308 -4.946 1.00 0.00 N ATOM 1015 CA ALA A 61 -4.856 2.990 -3.880 1.00 0.00 C ATOM 1016 C ALA A 61 -4.199 3.057 -2.504 1.00 0.00 C ATOM 1017 O ALA A 61 -4.874 3.270 -1.498 1.00 0.00 O ATOM 1018 CB ALA A 61 -5.462 1.614 -4.110 1.00 0.00 C ATOM 0 H ALA A 61 -3.632 2.506 -5.513 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.648 3.739 -3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.166 1.388 -3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.984 1.602 -5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.670 0.865 -4.119 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.884 2.870 -2.461 1.00 0.00 N ATOM 1025 CA ILE A 62 -2.150 2.908 -1.201 1.00 0.00 C ATOM 1026 C ILE A 62 -2.125 4.318 -0.615 1.00 0.00 C ATOM 1027 O ILE A 62 -2.167 4.494 0.602 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.702 2.403 -1.373 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -0.701 0.986 -1.947 1.00 0.00 C ATOM 1030 CG2 ILE A 62 0.040 2.438 -0.044 1.00 0.00 C ATOM 1031 CD1 ILE A 62 0.671 0.502 -2.360 1.00 0.00 C ATOM 0 H ILE A 62 -2.306 2.691 -3.282 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.675 2.245 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.186 3.063 -2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.110 0.302 -1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.365 0.952 -2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.059 2.078 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.066 3.461 0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.473 1.800 0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.595 -0.510 -2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.075 1.164 -3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.333 0.503 -1.494 1.00 0.00 H new ATOM 1043 N ARG A 63 -2.054 5.320 -1.485 1.00 0.00 N ATOM 1044 CA ARG A 63 -2.021 6.711 -1.046 1.00 0.00 C ATOM 1045 C ARG A 63 -3.252 7.059 -0.204 1.00 0.00 C ATOM 1046 O ARG A 63 -3.128 7.462 0.952 1.00 0.00 O ATOM 1047 CB ARG A 63 -1.932 7.645 -2.255 1.00 0.00 C ATOM 1048 CG ARG A 63 -0.520 8.118 -2.555 1.00 0.00 C ATOM 1049 CD ARG A 63 -0.332 8.403 -4.037 1.00 0.00 C ATOM 1050 NE ARG A 63 -0.965 9.658 -4.436 1.00 0.00 N ATOM 1051 CZ ARG A 63 -1.291 9.958 -5.692 1.00 0.00 C ATOM 1052 NH1 ARG A 63 -1.044 9.099 -6.673 1.00 0.00 N ATOM 1053 NH2 ARG A 63 -1.865 11.121 -5.966 1.00 0.00 N ATOM 0 H ARG A 63 -2.018 5.195 -2.497 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.137 6.844 -0.423 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.328 7.131 -3.131 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.568 8.513 -2.081 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.307 9.019 -1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.195 7.360 -2.235 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.733 8.445 -4.266 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.752 7.583 -4.620 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.169 10.345 -3.710 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.602 8.203 -6.467 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.296 9.335 -7.633 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.056 11.785 -5.215 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.115 11.352 -6.927 1.00 0.00 H new ATOM 1067 N PRO A 64 -4.459 6.910 -0.781 1.00 0.00 N ATOM 1068 CA PRO A 64 -5.720 7.209 -0.096 1.00 0.00 C ATOM 1069 C PRO A 64 -5.732 6.777 1.369 1.00 0.00 C ATOM 1070 O PRO A 64 -6.037 7.574 2.256 1.00 0.00 O ATOM 1071 CB PRO A 64 -6.730 6.394 -0.900 1.00 0.00 C ATOM 1072 CG PRO A 64 -6.193 6.406 -2.287 1.00 0.00 C ATOM 1073 CD PRO A 64 -4.690 6.441 -2.160 1.00 0.00 C ATOM 0 HA PRO A 64 -5.920 8.280 -0.059 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.816 5.378 -0.516 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.725 6.837 -0.855 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.516 5.522 -2.836 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.557 7.274 -2.837 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.252 5.456 -2.325 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.243 7.115 -2.891 1.00 0.00 H new ATOM 1081 N LEU A 65 -5.400 5.514 1.620 1.00 0.00 N ATOM 1082 CA LEU A 65 -5.378 4.990 2.982 1.00 0.00 C ATOM 1083 C LEU A 65 -4.286 5.667 3.805 1.00 0.00 C ATOM 1084 O LEU A 65 -4.410 5.814 5.021 1.00 0.00 O ATOM 1085 CB LEU A 65 -5.176 3.471 2.969 1.00 0.00 C ATOM 1086 CG LEU A 65 -3.729 3.000 2.791 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -3.159 2.513 4.114 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -3.651 1.902 1.739 1.00 0.00 C ATOM 0 H LEU A 65 -5.144 4.837 0.902 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.340 5.208 3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.560 3.063 3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.779 3.049 2.165 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.132 3.846 2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.131 2.183 3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.179 3.326 4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.758 1.681 4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.616 1.580 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.263 1.055 2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.018 2.284 0.786 1.00 0.00 H new ATOM 1100 N ILE A 66 -3.219 6.077 3.130 1.00 0.00 N ATOM 1101 CA ILE A 66 -2.101 6.738 3.789 1.00 0.00 C ATOM 1102 C ILE A 66 -2.446 8.196 4.113 1.00 0.00 C ATOM 1103 O ILE A 66 -3.057 8.891 3.302 1.00 0.00 O ATOM 1104 CB ILE A 66 -0.825 6.667 2.910 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.124 5.593 3.443 1.00 0.00 C ATOM 1106 CG2 ILE A 66 -0.116 8.014 2.837 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.002 4.979 2.374 1.00 0.00 C ATOM 0 H ILE A 66 -3.105 5.962 2.123 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.904 6.215 4.725 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.132 6.402 1.898 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.757 6.030 4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.461 4.806 3.918 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.773 7.924 2.213 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.788 8.756 2.406 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.175 8.327 3.840 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.649 4.226 2.823 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.376 4.513 1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.614 5.756 1.915 1.00 0.00 H new ATOM 1119 N PRO A 67 -2.055 8.676 5.310 1.00 0.00 N ATOM 1120 CA PRO A 67 -2.326 10.050 5.739 1.00 0.00 C ATOM 1121 C PRO A 67 -1.931 11.081 4.686 1.00 0.00 C ATOM 1122 O PRO A 67 -1.107 10.814 3.813 1.00 0.00 O ATOM 1123 CB PRO A 67 -1.476 10.223 7.010 1.00 0.00 C ATOM 1124 CG PRO A 67 -0.625 8.998 7.111 1.00 0.00 C ATOM 1125 CD PRO A 67 -1.328 7.921 6.336 1.00 0.00 C ATOM 0 HA PRO A 67 -3.391 10.210 5.907 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.861 11.121 6.948 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.109 10.331 7.890 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.369 9.182 6.704 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.493 8.703 8.152 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.624 7.215 5.895 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.004 7.344 6.968 1.00 0.00 H new ATOM 1133 N LEU A 68 -2.541 12.262 4.773 1.00 0.00 N ATOM 1134 CA LEU A 68 -2.273 13.347 3.825 1.00 0.00 C ATOM 1135 C LEU A 68 -0.773 13.599 3.670 1.00 0.00 C ATOM 1136 O LEU A 68 -0.191 13.298 2.628 1.00 0.00 O ATOM 1137 CB LEU A 68 -2.973 14.654 4.247 1.00 0.00 C ATOM 1138 CG LEU A 68 -3.733 14.624 5.578 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -2.769 14.488 6.748 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -4.578 15.878 5.732 1.00 0.00 C ATOM 0 H LEU A 68 -3.226 12.494 5.492 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.677 13.028 2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.221 15.441 4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.673 14.935 3.461 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.392 13.756 5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.331 14.469 7.682 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.202 13.563 6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.083 15.335 6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.112 15.843 6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.933 16.756 5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.296 15.936 4.914 1.00 0.00 H new ATOM 1152 N LYS A 69 -0.154 14.161 4.707 1.00 0.00 N ATOM 1153 CA LYS A 69 1.277 14.465 4.685 1.00 0.00 C ATOM 1154 C LYS A 69 2.078 13.318 4.074 1.00 0.00 C ATOM 1155 O LYS A 69 2.936 13.533 3.215 1.00 0.00 O ATOM 1156 CB LYS A 69 1.777 14.752 6.104 1.00 0.00 C ATOM 1157 CG LYS A 69 1.413 13.670 7.108 1.00 0.00 C ATOM 1158 CD LYS A 69 1.089 14.262 8.471 1.00 0.00 C ATOM 1159 CE LYS A 69 0.664 13.188 9.459 1.00 0.00 C ATOM 1160 NZ LYS A 69 -0.485 13.627 10.297 1.00 0.00 N ATOM 0 H LYS A 69 -0.623 14.416 5.576 1.00 0.00 H new ATOM 0 HA LYS A 69 1.422 15.349 4.065 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.861 14.866 6.082 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.363 15.703 6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.555 13.106 6.742 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.240 12.967 7.203 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.962 14.788 8.857 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.293 14.999 8.369 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.392 12.283 8.916 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.506 12.933 10.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.744 12.866 10.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.218 14.476 10.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.297 13.846 9.685 1.00 0.00 H new ATOM 1174 N HIS A 70 1.787 12.102 4.517 1.00 0.00 N ATOM 1175 CA HIS A 70 2.474 10.923 4.008 1.00 0.00 C ATOM 1176 C HIS A 70 2.164 10.720 2.530 1.00 0.00 C ATOM 1177 O HIS A 70 3.029 10.318 1.755 1.00 0.00 O ATOM 1178 CB HIS A 70 2.068 9.683 4.803 1.00 0.00 C ATOM 1179 CG HIS A 70 2.726 9.594 6.145 1.00 0.00 C ATOM 1180 ND1 HIS A 70 2.780 8.429 6.882 1.00 0.00 N ATOM 1181 CD2 HIS A 70 3.358 10.535 6.885 1.00 0.00 C ATOM 1182 CE1 HIS A 70 3.418 8.658 8.016 1.00 0.00 C ATOM 1183 NE2 HIS A 70 3.780 9.926 8.042 1.00 0.00 N ATOM 0 H HIS A 70 1.081 11.907 5.227 1.00 0.00 H new ATOM 0 HA HIS A 70 3.547 11.077 4.122 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.986 9.685 4.937 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.317 8.793 4.225 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.389 7.531 6.596 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.503 11.571 6.616 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.610 7.930 8.790 1.00 0.00 H new ATOM 1192 N GLN A 71 0.924 11.007 2.146 1.00 0.00 N ATOM 1193 CA GLN A 71 0.500 10.862 0.757 1.00 0.00 C ATOM 1194 C GLN A 71 1.350 11.739 -0.154 1.00 0.00 C ATOM 1195 O GLN A 71 1.818 11.297 -1.204 1.00 0.00 O ATOM 1196 CB GLN A 71 -0.979 11.228 0.611 1.00 0.00 C ATOM 1197 CG GLN A 71 -1.885 10.029 0.393 1.00 0.00 C ATOM 1198 CD GLN A 71 -3.074 10.350 -0.492 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -4.269 10.016 -0.022 1.00 0.00 O flip ATOM 1200 NE2 GLN A 71 -2.918 10.892 -1.586 1.00 0.00 N flip ATOM 0 H GLN A 71 0.195 11.341 2.777 1.00 0.00 H new ATOM 0 HA GLN A 71 0.634 9.821 0.463 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.303 11.759 1.506 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.093 11.916 -0.227 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.309 9.220 -0.057 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.242 9.668 1.358 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.980 11.131 -1.907 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.727 11.102 -2.171 1.00 0.00 H new ATOM 1209 N VAL A 72 1.546 12.985 0.260 1.00 0.00 N ATOM 1210 CA VAL A 72 2.341 13.932 -0.509 1.00 0.00 C ATOM 1211 C VAL A 72 3.763 13.418 -0.703 1.00 0.00 C ATOM 1212 O VAL A 72 4.241 13.293 -1.831 1.00 0.00 O ATOM 1213 CB VAL A 72 2.391 15.312 0.173 1.00 0.00 C ATOM 1214 CG1 VAL A 72 3.107 16.322 -0.711 1.00 0.00 C ATOM 1215 CG2 VAL A 72 0.989 15.791 0.516 1.00 0.00 C ATOM 0 H VAL A 72 1.164 13.363 1.127 1.00 0.00 H new ATOM 0 HA VAL A 72 1.858 14.037 -1.481 1.00 0.00 H new ATOM 0 HB VAL A 72 2.954 15.216 1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.132 17.290 -0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.126 15.984 -0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.577 16.416 -1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.046 16.767 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.398 15.870 -0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.517 15.080 1.194 1.00 0.00 H new ATOM 1225 N GLU A 73 4.435 13.117 0.405 1.00 0.00 N ATOM 1226 CA GLU A 73 5.801 12.613 0.348 1.00 0.00 C ATOM 1227 C GLU A 73 5.856 11.292 -0.407 1.00 0.00 C ATOM 1228 O GLU A 73 6.793 11.038 -1.163 1.00 0.00 O ATOM 1229 CB GLU A 73 6.369 12.437 1.757 1.00 0.00 C ATOM 1230 CG GLU A 73 7.883 12.565 1.824 1.00 0.00 C ATOM 1231 CD GLU A 73 8.492 11.707 2.917 1.00 0.00 C ATOM 1232 OE1 GLU A 73 8.081 11.855 4.086 1.00 0.00 O ATOM 1233 OE2 GLU A 73 9.379 10.887 2.602 1.00 0.00 O ATOM 0 H GLU A 73 4.057 13.213 1.348 1.00 0.00 H new ATOM 0 HA GLU A 73 6.409 13.344 -0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.920 13.180 2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.078 11.458 2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.311 12.281 0.863 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.149 13.608 1.995 1.00 0.00 H new ATOM 1240 N TYR A 74 4.838 10.460 -0.214 1.00 0.00 N ATOM 1241 CA TYR A 74 4.771 9.175 -0.898 1.00 0.00 C ATOM 1242 C TYR A 74 4.891 9.387 -2.400 1.00 0.00 C ATOM 1243 O TYR A 74 5.563 8.629 -3.099 1.00 0.00 O ATOM 1244 CB TYR A 74 3.460 8.461 -0.568 1.00 0.00 C ATOM 1245 CG TYR A 74 3.466 6.989 -0.914 1.00 0.00 C ATOM 1246 CD1 TYR A 74 4.221 6.086 -0.176 1.00 0.00 C ATOM 1247 CD2 TYR A 74 2.714 6.503 -1.978 1.00 0.00 C ATOM 1248 CE1 TYR A 74 4.226 4.738 -0.489 1.00 0.00 C ATOM 1249 CE2 TYR A 74 2.715 5.159 -2.296 1.00 0.00 C ATOM 1250 CZ TYR A 74 3.472 4.282 -1.549 1.00 0.00 C ATOM 1251 OH TYR A 74 3.476 2.942 -1.862 1.00 0.00 O ATOM 0 H TYR A 74 4.052 10.652 0.407 1.00 0.00 H new ATOM 0 HA TYR A 74 5.597 8.550 -0.558 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.253 8.574 0.496 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.646 8.948 -1.105 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.813 6.441 0.654 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.120 7.187 -2.565 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.817 4.047 0.094 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.126 4.797 -3.126 1.00 0.00 H new ATOM 0 HH TYR A 74 4.123 2.775 -2.579 1.00 0.00 H new ATOM 1261 N ASP A 75 4.242 10.441 -2.883 1.00 0.00 N ATOM 1262 CA ASP A 75 4.278 10.785 -4.297 1.00 0.00 C ATOM 1263 C ASP A 75 5.644 11.352 -4.673 1.00 0.00 C ATOM 1264 O ASP A 75 6.118 11.164 -5.793 1.00 0.00 O ATOM 1265 CB ASP A 75 3.181 11.798 -4.627 1.00 0.00 C ATOM 1266 CG ASP A 75 2.491 11.495 -5.942 1.00 0.00 C ATOM 1267 OD1 ASP A 75 1.968 10.370 -6.093 1.00 0.00 O ATOM 1268 OD2 ASP A 75 2.474 12.380 -6.822 1.00 0.00 O ATOM 0 H ASP A 75 3.682 11.074 -2.311 1.00 0.00 H new ATOM 0 HA ASP A 75 4.104 9.878 -4.876 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.443 11.804 -3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.614 12.797 -4.669 1.00 0.00 H new ATOM 1273 N GLN A 76 6.273 12.049 -3.727 1.00 0.00 N ATOM 1274 CA GLN A 76 7.584 12.642 -3.965 1.00 0.00 C ATOM 1275 C GLN A 76 8.643 11.563 -4.176 1.00 0.00 C ATOM 1276 O GLN A 76 9.625 11.775 -4.887 1.00 0.00 O ATOM 1277 CB GLN A 76 7.980 13.540 -2.790 1.00 0.00 C ATOM 1278 CG GLN A 76 7.705 15.015 -3.031 1.00 0.00 C ATOM 1279 CD GLN A 76 8.812 15.907 -2.508 1.00 0.00 C ATOM 1280 OE1 GLN A 76 9.929 15.901 -3.028 1.00 0.00 O ATOM 1281 NE2 GLN A 76 8.509 16.682 -1.472 1.00 0.00 N ATOM 0 H GLN A 76 5.896 12.215 -2.794 1.00 0.00 H new ATOM 0 HA GLN A 76 7.523 13.245 -4.871 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.439 13.219 -1.900 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.042 13.406 -2.583 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.579 15.187 -4.100 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.765 15.289 -2.551 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.571 16.655 -1.072 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.214 17.304 -1.077 1.00 0.00 H new ATOM 1290 N LEU A 77 8.440 10.409 -3.549 1.00 0.00 N ATOM 1291 CA LEU A 77 9.381 9.300 -3.667 1.00 0.00 C ATOM 1292 C LEU A 77 8.972 8.342 -4.780 1.00 0.00 C ATOM 1293 O LEU A 77 9.816 7.841 -5.523 1.00 0.00 O ATOM 1294 CB LEU A 77 9.476 8.546 -2.339 1.00 0.00 C ATOM 1295 CG LEU A 77 9.751 9.421 -1.114 1.00 0.00 C ATOM 1296 CD1 LEU A 77 9.081 8.837 0.120 1.00 0.00 C ATOM 1297 CD2 LEU A 77 11.248 9.568 -0.890 1.00 0.00 C ATOM 0 H LEU A 77 7.634 10.217 -2.955 1.00 0.00 H new ATOM 0 HA LEU A 77 10.357 9.714 -3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.543 8.006 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.267 7.800 -2.418 1.00 0.00 H new ATOM 0 HG LEU A 77 9.332 10.410 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.287 9.472 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.004 8.783 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.470 7.836 0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.425 10.193 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.690 8.585 -0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.703 10.032 -1.765 1.00 0.00 H new ATOM 1309 N THR A 78 7.672 8.087 -4.887 1.00 0.00 N ATOM 1310 CA THR A 78 7.152 7.184 -5.907 1.00 0.00 C ATOM 1311 C THR A 78 7.177 7.837 -7.287 1.00 0.00 C ATOM 1312 O THR A 78 7.149 9.062 -7.405 1.00 0.00 O ATOM 1313 CB THR A 78 5.725 6.756 -5.559 1.00 0.00 C ATOM 1314 OG1 THR A 78 4.893 7.885 -5.374 1.00 0.00 O ATOM 1315 CG2 THR A 78 5.643 5.913 -4.304 1.00 0.00 C ATOM 0 H THR A 78 6.960 8.493 -4.280 1.00 0.00 H new ATOM 0 HA THR A 78 7.794 6.304 -5.934 1.00 0.00 H new ATOM 0 HB THR A 78 5.390 6.155 -6.404 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.781 8.055 -4.415 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.604 5.643 -4.114 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.235 5.007 -4.435 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.031 6.481 -3.458 1.00 0.00 H new