USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 531 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 5 THR OG1 : rot -67:sc= 0.96 USER MOD Set 1.2: A 8 GLN : amide:sc= 1.27 K(o=2.2,f=-0.24!) USER MOD Single : A 9 GLN : amide:sc= 0.438 K(o=0.44,f=-0.064) USER MOD Single : A 18 HIS : no HD1:sc= -0.016 X(o=-0.016,f=-0.12) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.508 K(o=0.51,f=-4.7!) USER MOD Single : A 22 THR OG1 : rot -21:sc= 0.0719 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.467 USER MOD Single : A 33 GLN : amide:sc= 0.72 K(o=0.72,f=0) USER MOD Single : A 39 SER OG : rot 35:sc= 0.83 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 46 HIS : no HE2:sc= 0 K(o=0,f=-1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -19:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 50 N LEU A 4 -9.302 -3.592 -9.180 1.00 0.00 N ATOM 51 CA LEU A 4 -8.826 -3.895 -7.803 1.00 0.00 C ATOM 52 C LEU A 4 -9.936 -3.831 -6.711 1.00 0.00 C ATOM 53 O LEU A 4 -10.964 -3.161 -6.849 1.00 0.00 O ATOM 54 CB LEU A 4 -7.547 -3.077 -7.489 1.00 0.00 C ATOM 55 CG LEU A 4 -7.571 -1.538 -7.527 1.00 0.00 C ATOM 56 CD1 LEU A 4 -8.276 -0.907 -6.326 1.00 0.00 C ATOM 57 CD2 LEU A 4 -6.118 -1.022 -7.538 1.00 0.00 C ATOM 0 HA LEU A 4 -8.544 -4.947 -7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.216 -3.368 -6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.777 -3.403 -8.188 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.125 -1.257 -8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.254 0.179 -6.420 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.311 -1.248 -6.291 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.766 -1.202 -5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.119 0.068 -7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.604 -1.362 -6.639 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.602 -1.406 -8.418 1.00 0.00 H new ATOM 69 N THR A 5 -9.710 -4.549 -5.606 1.00 0.00 N ATOM 70 CA THR A 5 -10.673 -4.618 -4.473 1.00 0.00 C ATOM 71 C THR A 5 -10.741 -3.305 -3.613 1.00 0.00 C ATOM 72 O THR A 5 -9.787 -2.527 -3.544 1.00 0.00 O ATOM 73 CB THR A 5 -10.347 -5.838 -3.538 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.043 -5.752 -2.971 1.00 0.00 O ATOM 75 CG2 THR A 5 -10.453 -7.204 -4.208 1.00 0.00 C ATOM 0 H THR A 5 -8.864 -5.100 -5.460 1.00 0.00 H new ATOM 0 HA THR A 5 -11.653 -4.746 -4.934 1.00 0.00 H new ATOM 0 HB THR A 5 -11.117 -5.767 -2.770 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.372 -5.848 -3.679 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.210 -7.983 -3.486 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.469 -7.352 -4.574 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.755 -7.254 -5.044 1.00 0.00 H new ATOM 83 N ALA A 6 -11.856 -3.098 -2.893 1.00 0.00 N ATOM 84 CA ALA A 6 -11.976 -1.985 -1.907 1.00 0.00 C ATOM 85 C ALA A 6 -10.895 -1.910 -0.768 1.00 0.00 C ATOM 86 O ALA A 6 -10.440 -0.813 -0.441 1.00 0.00 O ATOM 87 CB ALA A 6 -13.399 -2.054 -1.337 1.00 0.00 C ATOM 0 H ALA A 6 -12.691 -3.679 -2.967 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.778 -1.060 -2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.538 -1.256 -0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.121 -1.936 -2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.551 -3.019 -0.853 1.00 0.00 H new ATOM 93 N ARG A 7 -10.452 -3.054 -0.222 1.00 0.00 N ATOM 94 CA ARG A 7 -9.270 -3.107 0.680 1.00 0.00 C ATOM 95 C ARG A 7 -7.871 -2.865 -0.011 1.00 0.00 C ATOM 96 O ARG A 7 -7.020 -2.231 0.613 1.00 0.00 O ATOM 97 CB ARG A 7 -9.273 -4.418 1.500 1.00 0.00 C ATOM 98 CG ARG A 7 -10.500 -4.598 2.421 1.00 0.00 C ATOM 99 CD ARG A 7 -10.247 -5.400 3.703 1.00 0.00 C ATOM 100 NE ARG A 7 -9.894 -6.817 3.450 1.00 0.00 N ATOM 101 CZ ARG A 7 -9.658 -7.722 4.389 1.00 0.00 C ATOM 102 NH1 ARG A 7 -9.681 -7.484 5.668 1.00 0.00 N ATOM 103 NH2 ARG A 7 -9.391 -8.924 4.008 1.00 0.00 N ATOM 0 H ARG A 7 -10.890 -3.961 -0.385 1.00 0.00 H new ATOM 0 HA ARG A 7 -9.386 -2.252 1.346 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -9.225 -5.262 0.812 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.370 -4.452 2.109 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -10.874 -3.612 2.697 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -11.290 -5.091 1.854 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.442 -4.927 4.266 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -11.139 -5.361 4.329 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.828 -7.119 2.478 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.892 -6.546 6.008 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -9.488 -8.235 6.330 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.367 -9.150 3.014 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.204 -9.649 4.701 1.00 0.00 H new ATOM 116 N GLN A 8 -7.643 -3.274 -1.275 1.00 0.00 N ATOM 117 CA GLN A 8 -6.535 -2.708 -2.111 1.00 0.00 C ATOM 118 C GLN A 8 -6.582 -1.147 -2.338 1.00 0.00 C ATOM 119 O GLN A 8 -5.536 -0.507 -2.237 1.00 0.00 O ATOM 120 CB GLN A 8 -6.486 -3.416 -3.491 1.00 0.00 C ATOM 121 CG GLN A 8 -5.874 -4.829 -3.469 1.00 0.00 C ATOM 122 CD GLN A 8 -6.068 -5.578 -4.777 1.00 0.00 C ATOM 123 OE1 GLN A 8 -7.150 -6.079 -5.065 1.00 0.00 O ATOM 124 NE2 GLN A 8 -5.067 -5.665 -5.612 1.00 0.00 N ATOM 0 H GLN A 8 -8.199 -3.987 -1.747 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.633 -2.898 -1.529 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.499 -3.480 -3.887 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.912 -2.797 -4.181 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.808 -4.754 -3.254 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.324 -5.402 -2.658 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.167 -5.249 -5.374 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.186 -6.149 -6.502 1.00 0.00 H new ATOM 133 N GLN A 9 -7.756 -0.552 -2.601 1.00 0.00 N ATOM 134 CA GLN A 9 -7.929 0.930 -2.620 1.00 0.00 C ATOM 135 C GLN A 9 -7.652 1.658 -1.259 1.00 0.00 C ATOM 136 O GLN A 9 -6.990 2.698 -1.265 1.00 0.00 O ATOM 137 CB GLN A 9 -9.333 1.229 -3.193 1.00 0.00 C ATOM 138 CG GLN A 9 -9.600 2.697 -3.597 1.00 0.00 C ATOM 139 CD GLN A 9 -8.786 3.214 -4.774 1.00 0.00 C ATOM 140 OE1 GLN A 9 -8.849 2.702 -5.883 1.00 0.00 O ATOM 141 NE2 GLN A 9 -8.002 4.246 -4.602 1.00 0.00 N ATOM 0 H GLN A 9 -8.611 -1.068 -2.806 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.155 1.352 -3.261 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.489 0.598 -4.068 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.076 0.936 -2.452 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.658 2.802 -3.836 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.403 3.334 -2.735 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.935 4.688 -3.685 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.458 4.609 -5.385 1.00 0.00 H new ATOM 150 N GLU A 10 -8.079 1.108 -0.108 1.00 0.00 N ATOM 151 CA GLU A 10 -7.544 1.507 1.225 1.00 0.00 C ATOM 152 C GLU A 10 -5.964 1.490 1.342 1.00 0.00 C ATOM 153 O GLU A 10 -5.373 2.516 1.682 1.00 0.00 O ATOM 154 CB GLU A 10 -8.157 0.610 2.332 1.00 0.00 C ATOM 155 CG GLU A 10 -9.645 0.839 2.652 1.00 0.00 C ATOM 156 CD GLU A 10 -10.058 0.104 3.923 1.00 0.00 C ATOM 157 OE1 GLU A 10 -10.477 -1.050 3.942 1.00 0.00 O ATOM 158 OE2 GLU A 10 -9.874 0.869 5.035 1.00 0.00 O ATOM 0 H GLU A 10 -8.795 0.383 -0.065 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.839 2.548 1.355 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.027 -0.432 2.039 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.584 0.757 3.247 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.834 1.906 2.769 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.256 0.497 1.817 1.00 0.00 H new ATOM 166 N VAL A 11 -5.319 0.361 1.014 1.00 0.00 N ATOM 167 CA VAL A 11 -3.825 0.230 0.976 1.00 0.00 C ATOM 168 C VAL A 11 -3.111 1.242 0.007 1.00 0.00 C ATOM 169 O VAL A 11 -2.181 1.925 0.443 1.00 0.00 O ATOM 170 CB VAL A 11 -3.462 -1.267 0.691 1.00 0.00 C ATOM 171 CG1 VAL A 11 -1.952 -1.534 0.534 1.00 0.00 C ATOM 172 CG2 VAL A 11 -3.932 -2.227 1.811 1.00 0.00 C ATOM 0 H VAL A 11 -5.806 -0.500 0.764 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.433 0.514 1.953 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.981 -1.457 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.788 -2.594 0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.563 -0.948 -0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.435 -1.250 1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.651 -3.249 1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.461 -1.946 2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.015 -2.163 1.914 1.00 0.00 H new ATOM 182 N PHE A 12 -3.562 1.368 -1.252 1.00 0.00 N ATOM 183 CA PHE A 12 -3.108 2.443 -2.180 1.00 0.00 C ATOM 184 C PHE A 12 -3.267 3.922 -1.675 1.00 0.00 C ATOM 185 O PHE A 12 -2.364 4.732 -1.888 1.00 0.00 O ATOM 186 CB PHE A 12 -3.819 2.195 -3.539 1.00 0.00 C ATOM 187 CG PHE A 12 -3.266 3.026 -4.713 1.00 0.00 C ATOM 188 CD1 PHE A 12 -1.940 2.872 -5.161 1.00 0.00 C ATOM 189 CD2 PHE A 12 -4.077 3.982 -5.340 1.00 0.00 C ATOM 190 CE1 PHE A 12 -1.440 3.664 -6.194 1.00 0.00 C ATOM 191 CE2 PHE A 12 -3.580 4.766 -6.383 1.00 0.00 C ATOM 192 CZ PHE A 12 -2.263 4.604 -6.809 1.00 0.00 C ATOM 0 H PHE A 12 -4.249 0.736 -1.664 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.024 2.367 -2.267 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.737 1.137 -3.789 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.881 2.414 -3.424 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.303 2.132 -4.699 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.098 4.114 -5.013 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.416 3.549 -6.517 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.216 5.498 -6.859 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.880 5.209 -7.618 1.00 0.00 H new ATOM 202 N ASP A 13 -4.374 4.256 -0.997 1.00 0.00 N ATOM 203 CA ASP A 13 -4.534 5.573 -0.332 1.00 0.00 C ATOM 204 C ASP A 13 -3.586 5.838 0.886 1.00 0.00 C ATOM 205 O ASP A 13 -3.008 6.924 0.918 1.00 0.00 O ATOM 206 CB ASP A 13 -6.020 5.801 0.019 1.00 0.00 C ATOM 207 CG ASP A 13 -6.861 6.218 -1.182 1.00 0.00 C ATOM 208 OD1 ASP A 13 -6.910 7.371 -1.597 1.00 0.00 O ATOM 209 OD2 ASP A 13 -7.528 5.175 -1.748 1.00 0.00 O ATOM 0 H ASP A 13 -5.177 3.637 -0.890 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.209 6.317 -1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.432 4.885 0.443 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.092 6.569 0.789 1.00 0.00 H new ATOM 215 N LEU A 14 -3.387 4.917 1.848 1.00 0.00 N ATOM 216 CA LEU A 14 -2.420 5.155 2.966 1.00 0.00 C ATOM 217 C LEU A 14 -0.896 5.162 2.587 1.00 0.00 C ATOM 218 O LEU A 14 -0.161 5.977 3.147 1.00 0.00 O ATOM 219 CB LEU A 14 -2.698 4.196 4.150 1.00 0.00 C ATOM 220 CG LEU A 14 -2.256 4.772 5.523 1.00 0.00 C ATOM 221 CD1 LEU A 14 -3.340 5.688 6.110 1.00 0.00 C ATOM 222 CD2 LEU A 14 -1.957 3.654 6.522 1.00 0.00 C ATOM 0 H LEU A 14 -3.865 4.017 1.886 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.613 6.186 3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.764 3.971 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.179 3.254 3.975 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.348 5.350 5.350 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.005 6.078 7.071 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.525 6.517 5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.260 5.120 6.249 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.650 4.089 7.473 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.852 3.050 6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.155 3.025 6.135 1.00 0.00 H new ATOM 234 N ILE A 15 -0.423 4.315 1.656 1.00 0.00 N ATOM 235 CA ILE A 15 0.976 4.429 1.098 1.00 0.00 C ATOM 236 C ILE A 15 1.300 5.817 0.437 1.00 0.00 C ATOM 237 O ILE A 15 2.286 6.456 0.811 1.00 0.00 O ATOM 238 CB ILE A 15 1.311 3.148 0.272 1.00 0.00 C ATOM 239 CG1 ILE A 15 2.813 2.773 0.193 1.00 0.00 C ATOM 240 CG2 ILE A 15 0.658 3.063 -1.117 1.00 0.00 C ATOM 241 CD1 ILE A 15 3.754 3.714 -0.549 1.00 0.00 C ATOM 0 H ILE A 15 -0.966 3.545 1.265 1.00 0.00 H new ATOM 0 HA ILE A 15 1.692 4.447 1.920 1.00 0.00 H new ATOM 0 HB ILE A 15 0.833 2.388 0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.184 2.668 1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.887 1.792 -0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.957 2.135 -1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.427 3.084 -1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.980 3.910 -1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.768 3.315 -0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.433 3.806 -1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.735 4.696 -0.075 1.00 0.00 H new ATOM 253 N ARG A 16 0.423 6.317 -0.447 1.00 0.00 N ATOM 254 CA ARG A 16 0.452 7.726 -0.930 1.00 0.00 C ATOM 255 C ARG A 16 0.276 8.840 0.162 1.00 0.00 C ATOM 256 O ARG A 16 1.068 9.786 0.185 1.00 0.00 O ATOM 257 CB ARG A 16 -0.632 7.848 -2.035 1.00 0.00 C ATOM 258 CG ARG A 16 -0.150 7.358 -3.413 1.00 0.00 C ATOM 259 CD ARG A 16 -1.257 6.965 -4.393 1.00 0.00 C ATOM 260 NE ARG A 16 -2.159 8.087 -4.744 1.00 0.00 N ATOM 261 CZ ARG A 16 -3.420 8.219 -4.363 1.00 0.00 C ATOM 262 NH1 ARG A 16 -4.063 7.367 -3.620 1.00 0.00 N ATOM 263 NH2 ARG A 16 -4.047 9.274 -4.755 1.00 0.00 N ATOM 0 H ARG A 16 -0.331 5.764 -0.854 1.00 0.00 H new ATOM 0 HA ARG A 16 1.458 7.917 -1.304 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.510 7.274 -1.739 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.944 8.889 -2.115 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.453 8.143 -3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.504 6.498 -3.266 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.804 6.575 -5.304 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.846 6.157 -3.959 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.773 8.825 -5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.594 6.524 -3.288 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.036 7.542 -3.369 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.570 9.965 -5.334 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.020 9.418 -4.486 1.00 0.00 H new ATOM 276 N ASP A 17 -0.722 8.731 1.057 1.00 0.00 N ATOM 277 CA ASP A 17 -0.931 9.708 2.161 1.00 0.00 C ATOM 278 C ASP A 17 0.239 9.830 3.188 1.00 0.00 C ATOM 279 O ASP A 17 0.608 10.958 3.501 1.00 0.00 O ATOM 280 CB ASP A 17 -2.283 9.385 2.835 1.00 0.00 C ATOM 281 CG ASP A 17 -2.817 10.493 3.726 1.00 0.00 C ATOM 282 OD1 ASP A 17 -2.704 10.507 4.947 1.00 0.00 O ATOM 283 OD2 ASP A 17 -3.431 11.475 3.015 1.00 0.00 O ATOM 0 H ASP A 17 -1.405 7.974 1.044 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.949 10.703 1.716 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.020 9.170 2.061 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.172 8.478 3.430 1.00 0.00 H new ATOM 289 N HIS A 18 0.834 8.730 3.676 1.00 0.00 N ATOM 290 CA HIS A 18 2.071 8.785 4.515 1.00 0.00 C ATOM 291 C HIS A 18 3.314 9.497 3.858 1.00 0.00 C ATOM 292 O HIS A 18 4.000 10.255 4.550 1.00 0.00 O ATOM 293 CB HIS A 18 2.382 7.336 4.944 1.00 0.00 C ATOM 294 CG HIS A 18 3.279 7.181 6.192 1.00 0.00 C ATOM 295 ND1 HIS A 18 2.826 6.544 7.337 1.00 0.00 N ATOM 296 CD2 HIS A 18 4.609 7.622 6.390 1.00 0.00 C ATOM 297 CE1 HIS A 18 3.924 6.687 8.142 1.00 0.00 C ATOM 298 NE2 HIS A 18 5.039 7.304 7.660 1.00 0.00 N ATOM 0 H HIS A 18 0.488 7.785 3.511 1.00 0.00 H new ATOM 0 HA HIS A 18 1.871 9.427 5.373 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.439 6.823 5.132 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.862 6.825 4.109 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.204 8.136 5.649 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.906 6.312 9.155 1.00 0.00 H new ATOM 0 HE2 HIS A 18 5.937 7.480 8.111 1.00 0.00 H new ATOM 306 N ILE A 19 3.567 9.299 2.555 1.00 0.00 N ATOM 307 CA ILE A 19 4.596 10.078 1.790 1.00 0.00 C ATOM 308 C ILE A 19 4.275 11.619 1.699 1.00 0.00 C ATOM 309 O ILE A 19 5.172 12.421 1.960 1.00 0.00 O ATOM 310 CB ILE A 19 4.884 9.394 0.396 1.00 0.00 C ATOM 311 CG1 ILE A 19 5.509 7.975 0.594 1.00 0.00 C ATOM 312 CG2 ILE A 19 5.856 10.224 -0.483 1.00 0.00 C ATOM 313 CD1 ILE A 19 5.555 7.104 -0.659 1.00 0.00 C ATOM 0 H ILE A 19 3.077 8.604 1.991 1.00 0.00 H new ATOM 0 HA ILE A 19 5.527 10.045 2.357 1.00 0.00 H new ATOM 0 HB ILE A 19 3.921 9.325 -0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.524 8.092 0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.941 7.449 1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.020 9.709 -1.430 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.425 11.207 -0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.807 10.340 0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 19 6.005 6.141 -0.417 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.542 6.947 -1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.150 7.600 -1.426 1.00 0.00 H new ATOM 325 N SER A 20 3.039 12.035 1.378 1.00 0.00 N ATOM 326 CA SER A 20 2.622 13.463 1.514 1.00 0.00 C ATOM 327 C SER A 20 2.520 14.073 2.971 1.00 0.00 C ATOM 328 O SER A 20 2.637 15.289 3.121 1.00 0.00 O ATOM 329 CB SER A 20 1.263 13.616 0.786 1.00 0.00 C ATOM 330 OG SER A 20 0.877 14.990 0.696 1.00 0.00 O ATOM 0 H SER A 20 2.308 11.418 1.024 1.00 0.00 H new ATOM 0 HA SER A 20 3.434 14.041 1.073 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.333 13.189 -0.214 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.496 13.054 1.319 1.00 0.00 H new ATOM 0 HG SER A 20 0.017 15.058 0.231 1.00 0.00 H new ATOM 336 N GLN A 21 2.257 13.251 3.985 1.00 0.00 N ATOM 337 CA GLN A 21 2.178 13.660 5.418 1.00 0.00 C ATOM 338 C GLN A 21 3.560 13.793 6.145 1.00 0.00 C ATOM 339 O GLN A 21 3.766 14.766 6.871 1.00 0.00 O ATOM 340 CB GLN A 21 1.263 12.571 6.041 1.00 0.00 C ATOM 341 CG GLN A 21 0.882 12.697 7.526 1.00 0.00 C ATOM 342 CD GLN A 21 0.159 11.443 8.018 1.00 0.00 C ATOM 343 OE1 GLN A 21 0.762 10.499 8.515 1.00 0.00 O ATOM 344 NE2 GLN A 21 -1.138 11.358 7.856 1.00 0.00 N ATOM 0 H GLN A 21 2.086 12.255 3.848 1.00 0.00 H new ATOM 0 HA GLN A 21 1.786 14.671 5.526 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.340 12.543 5.463 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.754 11.607 5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.780 12.860 8.122 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.243 13.568 7.668 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.653 12.136 7.444 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.633 10.514 8.142 1.00 0.00 H new ATOM 353 N THR A 22 4.452 12.807 5.989 1.00 0.00 N ATOM 354 CA THR A 22 5.817 12.817 6.589 1.00 0.00 C ATOM 355 C THR A 22 6.987 12.621 5.549 1.00 0.00 C ATOM 356 O THR A 22 8.041 13.236 5.719 1.00 0.00 O ATOM 357 CB THR A 22 5.982 11.750 7.725 1.00 0.00 C ATOM 358 OG1 THR A 22 5.728 10.431 7.255 1.00 0.00 O ATOM 359 CG2 THR A 22 5.081 11.967 8.937 1.00 0.00 C ATOM 0 H THR A 22 4.258 11.969 5.441 1.00 0.00 H new ATOM 0 HA THR A 22 5.902 13.821 7.005 1.00 0.00 H new ATOM 0 HB THR A 22 7.020 11.873 8.035 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.184 10.473 6.441 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.263 11.182 9.671 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.298 12.938 9.382 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.037 11.936 8.625 1.00 0.00 H new ATOM 367 N GLY A 23 6.826 11.745 4.546 1.00 0.00 N ATOM 368 CA GLY A 23 7.910 11.380 3.600 1.00 0.00 C ATOM 369 C GLY A 23 8.110 9.877 3.290 1.00 0.00 C ATOM 370 O GLY A 23 8.626 9.553 2.220 1.00 0.00 O ATOM 0 H GLY A 23 5.945 11.266 4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.723 11.896 2.658 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.848 11.770 3.996 1.00 0.00 H new ATOM 374 N MET A 24 7.758 8.978 4.217 1.00 0.00 N ATOM 375 CA MET A 24 8.203 7.564 4.176 1.00 0.00 C ATOM 376 C MET A 24 7.151 6.549 3.579 1.00 0.00 C ATOM 377 O MET A 24 5.950 6.750 3.777 1.00 0.00 O ATOM 378 CB MET A 24 8.555 7.109 5.624 1.00 0.00 C ATOM 379 CG MET A 24 9.692 7.878 6.313 1.00 0.00 C ATOM 380 SD MET A 24 9.993 7.147 7.933 1.00 0.00 S ATOM 381 CE MET A 24 11.127 8.377 8.594 1.00 0.00 C ATOM 0 H MET A 24 7.161 9.199 5.014 1.00 0.00 H new ATOM 0 HA MET A 24 9.062 7.542 3.505 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.659 7.196 6.239 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.822 6.052 5.597 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.597 7.836 5.707 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.426 8.930 6.418 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.426 8.091 9.602 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.009 8.438 7.957 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.633 9.348 8.624 1.00 0.00 H new ATOM 391 N PRO A 25 7.546 5.431 2.912 1.00 0.00 N ATOM 392 CA PRO A 25 6.579 4.372 2.471 1.00 0.00 C ATOM 393 C PRO A 25 6.234 3.311 3.579 1.00 0.00 C ATOM 394 O PRO A 25 7.134 2.554 3.957 1.00 0.00 O ATOM 395 CB PRO A 25 7.337 3.769 1.264 1.00 0.00 C ATOM 396 CG PRO A 25 8.831 3.917 1.608 1.00 0.00 C ATOM 397 CD PRO A 25 8.912 5.240 2.374 1.00 0.00 C ATOM 0 HA PRO A 25 5.588 4.760 2.234 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.070 2.723 1.114 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.091 4.296 0.342 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.184 3.083 2.215 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.446 3.940 0.709 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.652 5.193 3.173 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.201 6.062 1.720 1.00 0.00 H new ATOM 405 N PRO A 26 4.991 3.192 4.122 1.00 0.00 N ATOM 406 CA PRO A 26 4.729 2.358 5.346 1.00 0.00 C ATOM 407 C PRO A 26 4.590 0.816 5.178 1.00 0.00 C ATOM 408 O PRO A 26 4.279 0.279 4.115 1.00 0.00 O ATOM 409 CB PRO A 26 3.416 3.000 5.901 1.00 0.00 C ATOM 410 CG PRO A 26 2.711 3.568 4.652 1.00 0.00 C ATOM 411 CD PRO A 26 3.891 4.136 3.852 1.00 0.00 C ATOM 0 HA PRO A 26 5.600 2.387 6.000 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.795 2.261 6.407 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.633 3.784 6.626 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.176 2.796 4.098 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.983 4.338 4.909 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.663 4.189 2.787 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.143 5.146 4.175 1.00 0.00 H new ATOM 419 N THR A 27 4.773 0.134 6.312 1.00 0.00 N ATOM 420 CA THR A 27 4.498 -1.323 6.483 1.00 0.00 C ATOM 421 C THR A 27 3.180 -1.572 7.331 1.00 0.00 C ATOM 422 O THR A 27 2.455 -0.638 7.691 1.00 0.00 O ATOM 423 CB THR A 27 5.749 -2.010 7.144 1.00 0.00 C ATOM 424 OG1 THR A 27 6.201 -1.318 8.309 1.00 0.00 O ATOM 425 CG2 THR A 27 6.927 -2.192 6.191 1.00 0.00 C ATOM 0 H THR A 27 5.123 0.574 7.163 1.00 0.00 H new ATOM 0 HA THR A 27 4.324 -1.769 5.504 1.00 0.00 H new ATOM 0 HB THR A 27 5.388 -2.999 7.427 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.978 -1.783 8.685 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.751 -2.672 6.719 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.622 -2.816 5.351 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.250 -1.219 5.822 1.00 0.00 H new ATOM 433 N ARG A 28 2.873 -2.841 7.662 1.00 0.00 N ATOM 434 CA ARG A 28 1.722 -3.230 8.535 1.00 0.00 C ATOM 435 C ARG A 28 1.461 -2.468 9.881 1.00 0.00 C ATOM 436 O ARG A 28 0.295 -2.353 10.262 1.00 0.00 O ATOM 437 CB ARG A 28 1.817 -4.766 8.798 1.00 0.00 C ATOM 438 CG ARG A 28 0.906 -5.593 7.872 1.00 0.00 C ATOM 439 CD ARG A 28 1.161 -7.104 7.891 1.00 0.00 C ATOM 440 NE ARG A 28 2.449 -7.434 7.241 1.00 0.00 N ATOM 441 CZ ARG A 28 2.758 -8.582 6.656 1.00 0.00 C ATOM 442 NH1 ARG A 28 1.947 -9.590 6.544 1.00 0.00 N ATOM 443 NH2 ARG A 28 3.933 -8.694 6.140 1.00 0.00 N ATOM 0 H ARG A 28 3.415 -3.640 7.334 1.00 0.00 H new ATOM 0 HA ARG A 28 0.853 -2.918 7.955 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.850 -5.089 8.665 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.551 -4.968 9.835 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.132 -5.412 8.152 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.028 -5.232 6.851 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.167 -7.462 8.920 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.349 -7.620 7.379 1.00 0.00 H new ATOM 0 HE ARG A 28 3.167 -6.709 7.244 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.001 -9.528 6.921 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.256 -10.444 6.079 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.589 -7.914 6.190 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.208 -9.562 5.681 1.00 0.00 H new ATOM 456 N ALA A 29 2.483 -1.936 10.570 1.00 0.00 N ATOM 457 CA ALA A 29 2.272 -1.031 11.734 1.00 0.00 C ATOM 458 C ALA A 29 1.385 0.247 11.503 1.00 0.00 C ATOM 459 O ALA A 29 0.571 0.566 12.369 1.00 0.00 O ATOM 460 CB ALA A 29 3.663 -0.680 12.279 1.00 0.00 C ATOM 0 H ALA A 29 3.464 -2.110 10.350 1.00 0.00 H new ATOM 0 HA ALA A 29 1.663 -1.577 12.455 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.561 -0.016 13.137 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.174 -1.592 12.586 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.243 -0.182 11.502 1.00 0.00 H new ATOM 466 N GLU A 30 1.507 0.924 10.351 1.00 0.00 N ATOM 467 CA GLU A 30 0.484 1.906 9.892 1.00 0.00 C ATOM 468 C GLU A 30 -0.647 1.285 8.998 1.00 0.00 C ATOM 469 O GLU A 30 -1.817 1.573 9.255 1.00 0.00 O ATOM 470 CB GLU A 30 1.182 3.104 9.199 1.00 0.00 C ATOM 471 CG GLU A 30 1.487 4.293 10.133 1.00 0.00 C ATOM 472 CD GLU A 30 2.600 4.096 11.136 1.00 0.00 C ATOM 473 OE1 GLU A 30 3.792 4.199 10.863 1.00 0.00 O ATOM 474 OE2 GLU A 30 2.133 3.794 12.377 1.00 0.00 O ATOM 0 H GLU A 30 2.297 0.818 9.715 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.038 2.259 10.781 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.116 2.758 8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.551 3.453 8.382 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.733 5.157 9.516 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.576 4.540 10.679 1.00 0.00 H new ATOM 482 N ILE A 31 -0.332 0.458 7.982 1.00 0.00 N ATOM 483 CA ILE A 31 -1.350 -0.054 7.005 1.00 0.00 C ATOM 484 C ILE A 31 -2.467 -0.957 7.647 1.00 0.00 C ATOM 485 O ILE A 31 -3.637 -0.745 7.329 1.00 0.00 O ATOM 486 CB ILE A 31 -0.680 -0.706 5.734 1.00 0.00 C ATOM 487 CG1 ILE A 31 0.323 0.261 5.027 1.00 0.00 C ATOM 488 CG2 ILE A 31 -1.740 -1.106 4.670 1.00 0.00 C ATOM 489 CD1 ILE A 31 1.152 -0.376 3.911 1.00 0.00 C ATOM 0 H ILE A 31 0.615 0.123 7.805 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.887 0.829 6.659 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.154 -1.584 6.110 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.235 1.100 4.612 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.001 0.669 5.776 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.241 -1.552 3.809 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.434 -1.828 5.101 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.289 -0.220 4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.818 0.372 3.480 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.743 -1.196 4.319 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.487 -0.758 3.137 1.00 0.00 H new ATOM 501 N ALA A 32 -2.151 -1.923 8.530 1.00 0.00 N ATOM 502 CA ALA A 32 -3.208 -2.648 9.288 1.00 0.00 C ATOM 503 C ALA A 32 -3.964 -1.831 10.390 1.00 0.00 C ATOM 504 O ALA A 32 -5.187 -1.949 10.483 1.00 0.00 O ATOM 505 CB ALA A 32 -2.630 -3.956 9.844 1.00 0.00 C ATOM 0 H ALA A 32 -1.198 -2.220 8.739 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.995 -2.851 8.562 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.402 -4.488 10.399 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.281 -4.579 9.020 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.795 -3.732 10.508 1.00 0.00 H new ATOM 511 N GLN A 33 -3.259 -1.038 11.211 1.00 0.00 N ATOM 512 CA GLN A 33 -3.882 -0.290 12.334 1.00 0.00 C ATOM 513 C GLN A 33 -4.736 0.961 11.921 1.00 0.00 C ATOM 514 O GLN A 33 -5.883 1.058 12.361 1.00 0.00 O ATOM 515 CB GLN A 33 -2.810 0.104 13.389 1.00 0.00 C ATOM 516 CG GLN A 33 -2.131 -1.095 14.091 1.00 0.00 C ATOM 517 CD GLN A 33 -1.286 -0.724 15.299 1.00 0.00 C ATOM 518 OE1 GLN A 33 -1.683 -0.887 16.445 1.00 0.00 O ATOM 519 NE2 GLN A 33 -0.092 -0.225 15.109 1.00 0.00 N ATOM 0 H GLN A 33 -2.253 -0.892 11.125 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.601 -0.986 12.767 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.043 0.706 12.902 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.277 0.735 14.145 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.901 -1.799 14.405 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.501 -1.613 13.368 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.256 -0.082 14.161 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.491 0.021 15.909 1.00 0.00 H new ATOM 528 N ARG A 34 -4.208 1.898 11.116 1.00 0.00 N ATOM 529 CA ARG A 34 -4.957 3.132 10.731 1.00 0.00 C ATOM 530 C ARG A 34 -6.159 2.929 9.734 1.00 0.00 C ATOM 531 O ARG A 34 -7.186 3.591 9.891 1.00 0.00 O ATOM 532 CB ARG A 34 -3.998 4.225 10.189 1.00 0.00 C ATOM 533 CG ARG A 34 -2.893 4.673 11.170 1.00 0.00 C ATOM 534 CD ARG A 34 -2.317 6.069 10.891 1.00 0.00 C ATOM 535 NE ARG A 34 -1.603 6.137 9.596 1.00 0.00 N ATOM 536 CZ ARG A 34 -0.862 7.154 9.183 1.00 0.00 C ATOM 537 NH1 ARG A 34 -0.616 8.220 9.885 1.00 0.00 N ATOM 538 NH2 ARG A 34 -0.349 7.076 8.006 1.00 0.00 N ATOM 0 H ARG A 34 -3.272 1.836 10.715 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.416 3.455 11.665 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.526 3.853 9.280 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.588 5.097 9.908 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.296 4.657 12.183 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.081 3.946 11.138 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.125 6.800 10.896 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.634 6.344 11.694 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.689 5.335 8.971 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.004 8.313 10.823 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.034 8.963 9.497 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.519 6.252 7.429 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.228 7.838 7.650 1.00 0.00 H new ATOM 551 N LEU A 35 -6.042 2.028 8.753 1.00 0.00 N ATOM 552 CA LEU A 35 -7.171 1.664 7.848 1.00 0.00 C ATOM 553 C LEU A 35 -8.268 0.669 8.413 1.00 0.00 C ATOM 554 O LEU A 35 -9.292 0.475 7.750 1.00 0.00 O ATOM 555 CB LEU A 35 -6.553 1.049 6.561 1.00 0.00 C ATOM 556 CG LEU A 35 -5.712 2.000 5.678 1.00 0.00 C ATOM 557 CD1 LEU A 35 -4.915 1.160 4.675 1.00 0.00 C ATOM 558 CD2 LEU A 35 -6.578 3.043 4.969 1.00 0.00 C ATOM 0 H LEU A 35 -5.176 1.527 8.553 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.721 2.591 7.687 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.924 0.208 6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.363 0.645 5.953 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.026 2.560 6.314 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.316 1.817 4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.258 0.477 5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.603 0.587 4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.945 3.689 4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.304 2.540 4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.103 3.645 5.711 1.00 0.00 H new ATOM 570 N GLY A 36 -8.060 0.055 9.587 1.00 0.00 N ATOM 571 CA GLY A 36 -9.054 -0.849 10.215 1.00 0.00 C ATOM 572 C GLY A 36 -9.086 -2.310 9.736 1.00 0.00 C ATOM 573 O GLY A 36 -10.162 -2.831 9.433 1.00 0.00 O ATOM 0 H GLY A 36 -7.204 0.166 10.131 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.875 -0.851 11.290 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.044 -0.422 10.058 1.00 0.00 H new ATOM 577 N PHE A 37 -7.936 -2.995 9.730 1.00 0.00 N ATOM 578 CA PHE A 37 -7.861 -4.412 9.306 1.00 0.00 C ATOM 579 C PHE A 37 -8.069 -5.377 10.516 1.00 0.00 C ATOM 580 O PHE A 37 -7.133 -5.725 11.243 1.00 0.00 O ATOM 581 CB PHE A 37 -6.510 -4.698 8.596 1.00 0.00 C ATOM 582 CG PHE A 37 -6.471 -4.264 7.126 1.00 0.00 C ATOM 583 CD1 PHE A 37 -6.121 -2.959 6.738 1.00 0.00 C ATOM 584 CD2 PHE A 37 -6.808 -5.190 6.134 1.00 0.00 C ATOM 585 CE1 PHE A 37 -6.099 -2.602 5.387 1.00 0.00 C ATOM 586 CE2 PHE A 37 -6.790 -4.832 4.787 1.00 0.00 C ATOM 587 CZ PHE A 37 -6.440 -3.539 4.414 1.00 0.00 C ATOM 0 H PHE A 37 -7.040 -2.597 10.013 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.668 -4.594 8.596 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.713 -4.187 9.136 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.300 -5.766 8.654 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.867 -2.226 7.490 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.086 -6.195 6.415 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.818 -1.600 5.097 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.048 -5.560 4.032 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.432 -3.261 3.370 1.00 0.00 H new ATOM 597 N ARG A 38 -9.296 -5.895 10.636 1.00 0.00 N ATOM 598 CA ARG A 38 -9.604 -7.057 11.524 1.00 0.00 C ATOM 599 C ARG A 38 -8.834 -8.409 11.214 1.00 0.00 C ATOM 600 O ARG A 38 -8.700 -9.242 12.110 1.00 0.00 O ATOM 601 CB ARG A 38 -11.136 -7.305 11.501 1.00 0.00 C ATOM 602 CG ARG A 38 -11.969 -6.201 12.186 1.00 0.00 C ATOM 603 CD ARG A 38 -13.476 -6.457 12.054 1.00 0.00 C ATOM 604 NE ARG A 38 -14.235 -5.392 12.752 1.00 0.00 N ATOM 605 CZ ARG A 38 -14.623 -4.238 12.233 1.00 0.00 C ATOM 606 NH1 ARG A 38 -14.369 -3.853 11.016 1.00 0.00 N ATOM 607 NH2 ARG A 38 -15.293 -3.443 12.994 1.00 0.00 N ATOM 0 H ARG A 38 -10.107 -5.536 10.132 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.241 -6.769 12.511 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.461 -7.399 10.465 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.345 -8.257 11.989 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.701 -6.146 13.241 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.725 -5.235 11.744 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.757 -6.485 11.001 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.726 -7.430 12.477 1.00 0.00 H new ATOM 0 HE ARG A 38 -14.482 -5.565 13.726 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.836 -4.457 10.391 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.703 -2.947 10.688 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.504 -3.714 13.955 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.612 -2.543 12.636 1.00 0.00 H new ATOM 620 N SER A 39 -8.301 -8.576 9.994 1.00 0.00 N ATOM 621 CA SER A 39 -7.265 -9.590 9.692 1.00 0.00 C ATOM 622 C SER A 39 -5.906 -8.873 9.362 1.00 0.00 C ATOM 623 O SER A 39 -5.704 -8.532 8.190 1.00 0.00 O ATOM 624 CB SER A 39 -7.782 -10.476 8.524 1.00 0.00 C ATOM 625 OG SER A 39 -7.946 -9.749 7.299 1.00 0.00 O ATOM 0 H SER A 39 -8.572 -8.015 9.186 1.00 0.00 H new ATOM 0 HA SER A 39 -7.075 -10.236 10.549 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.084 -11.297 8.362 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.736 -10.920 8.807 1.00 0.00 H new ATOM 0 HG SER A 39 -7.244 -9.070 7.225 1.00 0.00 H new ATOM 631 N PRO A 40 -4.954 -8.624 10.307 1.00 0.00 N ATOM 632 CA PRO A 40 -3.693 -7.846 10.008 1.00 0.00 C ATOM 633 C PRO A 40 -2.748 -8.304 8.870 1.00 0.00 C ATOM 634 O PRO A 40 -2.148 -7.456 8.207 1.00 0.00 O ATOM 635 CB PRO A 40 -2.988 -7.797 11.389 1.00 0.00 C ATOM 636 CG PRO A 40 -4.163 -7.799 12.389 1.00 0.00 C ATOM 637 CD PRO A 40 -5.172 -8.779 11.765 1.00 0.00 C ATOM 0 HA PRO A 40 -3.977 -6.887 9.573 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.333 -8.656 11.537 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.372 -6.904 11.494 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.846 -8.127 13.379 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.591 -6.803 12.505 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.990 -9.803 12.091 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.196 -8.533 12.046 1.00 0.00 H new ATOM 645 N ASN A 41 -2.647 -9.619 8.614 1.00 0.00 N ATOM 646 CA ASN A 41 -1.944 -10.164 7.415 1.00 0.00 C ATOM 647 C ASN A 41 -2.463 -9.673 6.011 1.00 0.00 C ATOM 648 O ASN A 41 -1.642 -9.494 5.109 1.00 0.00 O ATOM 649 CB ASN A 41 -1.965 -11.707 7.561 1.00 0.00 C ATOM 650 CG ASN A 41 -1.102 -12.458 6.559 1.00 0.00 C ATOM 651 OD1 ASN A 41 -1.509 -12.717 5.435 1.00 0.00 O ATOM 652 ND2 ASN A 41 0.109 -12.814 6.898 1.00 0.00 N ATOM 0 H ASN A 41 -3.043 -10.338 9.220 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.929 -9.767 7.407 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -1.636 -11.966 8.567 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -2.994 -12.052 7.463 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.703 -13.302 6.228 1.00 0.00 H new ATOM 0 HD22 ASN A 41 0.460 -12.604 7.832 1.00 0.00 H new ATOM 659 N ALA A 42 -3.772 -9.434 5.840 1.00 0.00 N ATOM 660 CA ALA A 42 -4.328 -8.819 4.608 1.00 0.00 C ATOM 661 C ALA A 42 -3.740 -7.445 4.138 1.00 0.00 C ATOM 662 O ALA A 42 -3.607 -7.249 2.933 1.00 0.00 O ATOM 663 CB ALA A 42 -5.844 -8.721 4.838 1.00 0.00 C ATOM 0 H ALA A 42 -4.477 -9.657 6.542 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.038 -9.463 3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.317 -8.274 3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.252 -9.718 5.001 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.040 -8.101 5.713 1.00 0.00 H new ATOM 669 N ALA A 43 -3.357 -6.539 5.048 1.00 0.00 N ATOM 670 CA ALA A 43 -2.759 -5.224 4.700 1.00 0.00 C ATOM 671 C ALA A 43 -1.535 -5.215 3.725 1.00 0.00 C ATOM 672 O ALA A 43 -1.624 -4.585 2.669 1.00 0.00 O ATOM 673 CB ALA A 43 -2.460 -4.573 6.056 1.00 0.00 C ATOM 0 H ALA A 43 -3.450 -6.689 6.053 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.467 -4.664 4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.013 -3.591 5.898 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.387 -4.463 6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.767 -5.201 6.616 1.00 0.00 H new ATOM 679 N GLU A 44 -0.436 -5.928 4.032 1.00 0.00 N ATOM 680 CA GLU A 44 0.671 -6.128 3.049 1.00 0.00 C ATOM 681 C GLU A 44 0.497 -7.300 2.014 1.00 0.00 C ATOM 682 O GLU A 44 1.141 -7.246 0.967 1.00 0.00 O ATOM 683 CB GLU A 44 2.043 -6.209 3.766 1.00 0.00 C ATOM 684 CG GLU A 44 2.527 -4.842 4.290 1.00 0.00 C ATOM 685 CD GLU A 44 3.938 -4.823 4.846 1.00 0.00 C ATOM 686 OE1 GLU A 44 4.875 -4.297 4.258 1.00 0.00 O ATOM 687 OE2 GLU A 44 4.035 -5.393 6.082 1.00 0.00 O ATOM 0 H GLU A 44 -0.281 -6.374 4.936 1.00 0.00 H new ATOM 0 HA GLU A 44 0.626 -5.235 2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.971 -6.907 4.600 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.785 -6.612 3.076 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.464 -4.117 3.478 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.843 -4.507 5.069 1.00 0.00 H new ATOM 695 N GLU A 45 -0.377 -8.293 2.231 1.00 0.00 N ATOM 696 CA GLU A 45 -0.799 -9.233 1.143 1.00 0.00 C ATOM 697 C GLU A 45 -1.643 -8.576 -0.015 1.00 0.00 C ATOM 698 O GLU A 45 -1.378 -8.864 -1.184 1.00 0.00 O ATOM 699 CB GLU A 45 -1.503 -10.451 1.784 1.00 0.00 C ATOM 700 CG GLU A 45 -0.599 -11.651 2.136 1.00 0.00 C ATOM 701 CD GLU A 45 0.669 -11.432 2.942 1.00 0.00 C ATOM 702 OE1 GLU A 45 1.779 -11.782 2.558 1.00 0.00 O ATOM 703 OE2 GLU A 45 0.435 -10.831 4.140 1.00 0.00 O ATOM 0 H GLU A 45 -0.811 -8.478 3.135 1.00 0.00 H new ATOM 0 HA GLU A 45 0.104 -9.559 0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.002 -10.119 2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.280 -10.796 1.102 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.211 -12.369 2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.310 -12.126 1.198 1.00 0.00 H new ATOM 711 N HIS A 46 -2.577 -7.661 0.285 1.00 0.00 N ATOM 712 CA HIS A 46 -3.142 -6.723 -0.725 1.00 0.00 C ATOM 713 C HIS A 46 -2.106 -5.740 -1.392 1.00 0.00 C ATOM 714 O HIS A 46 -2.222 -5.520 -2.594 1.00 0.00 O ATOM 715 CB HIS A 46 -4.291 -5.899 -0.099 1.00 0.00 C ATOM 716 CG HIS A 46 -5.582 -6.663 0.194 1.00 0.00 C ATOM 717 ND1 HIS A 46 -6.323 -7.343 -0.763 1.00 0.00 N ATOM 718 CD2 HIS A 46 -6.263 -6.651 1.418 1.00 0.00 C ATOM 719 CE1 HIS A 46 -7.405 -7.696 0.000 1.00 0.00 C ATOM 720 NE2 HIS A 46 -7.443 -7.352 1.323 1.00 0.00 N ATOM 0 H HIS A 46 -2.965 -7.542 1.221 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.500 -7.366 -1.529 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.932 -5.462 0.833 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.526 -5.072 -0.770 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -6.121 -7.526 -1.746 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.910 -6.159 2.313 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.224 -8.244 -0.442 1.00 0.00 H new ATOM 728 N LEU A 47 -1.113 -5.203 -0.661 1.00 0.00 N ATOM 729 CA LEU A 47 0.074 -4.516 -1.272 1.00 0.00 C ATOM 730 C LEU A 47 0.912 -5.394 -2.281 1.00 0.00 C ATOM 731 O LEU A 47 1.286 -4.895 -3.341 1.00 0.00 O ATOM 732 CB LEU A 47 0.947 -4.009 -0.093 1.00 0.00 C ATOM 733 CG LEU A 47 2.022 -2.951 -0.405 1.00 0.00 C ATOM 734 CD1 LEU A 47 1.428 -1.559 -0.628 1.00 0.00 C ATOM 735 CD2 LEU A 47 3.000 -2.855 0.780 1.00 0.00 C ATOM 0 H LEU A 47 -1.095 -5.224 0.359 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.286 -3.700 -1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.281 -3.598 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.443 -4.871 0.352 1.00 0.00 H new ATOM 0 HG LEU A 47 2.522 -3.267 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.229 -0.852 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.734 -1.590 -1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.897 -1.242 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.763 -2.107 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.455 -2.567 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.476 -3.823 0.938 1.00 0.00 H new ATOM 747 N LYS A 48 1.163 -6.680 -1.994 1.00 0.00 N ATOM 748 CA LYS A 48 1.750 -7.640 -2.977 1.00 0.00 C ATOM 749 C LYS A 48 0.889 -7.890 -4.273 1.00 0.00 C ATOM 750 O LYS A 48 1.445 -7.842 -5.372 1.00 0.00 O ATOM 751 CB LYS A 48 2.068 -8.973 -2.252 1.00 0.00 C ATOM 752 CG LYS A 48 3.218 -8.877 -1.226 1.00 0.00 C ATOM 753 CD LYS A 48 3.349 -10.174 -0.412 1.00 0.00 C ATOM 754 CE LYS A 48 4.379 -10.098 0.726 1.00 0.00 C ATOM 755 NZ LYS A 48 5.769 -10.088 0.227 1.00 0.00 N ATOM 0 H LYS A 48 0.971 -7.095 -1.082 1.00 0.00 H new ATOM 0 HA LYS A 48 2.661 -7.174 -3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.169 -9.320 -1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.323 -9.727 -2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.155 -8.674 -1.745 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.039 -8.039 -0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.376 -10.426 0.009 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.625 -10.986 -1.084 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.201 -9.198 1.314 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.242 -10.948 1.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.426 -10.036 1.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.950 -10.958 -0.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.911 -9.263 -0.390 1.00 0.00 H new ATOM 768 N ALA A 49 -0.435 -8.083 -4.157 1.00 0.00 N ATOM 769 CA ALA A 49 -1.367 -7.977 -5.317 1.00 0.00 C ATOM 770 C ALA A 49 -1.429 -6.588 -6.069 1.00 0.00 C ATOM 771 O ALA A 49 -1.573 -6.557 -7.290 1.00 0.00 O ATOM 772 CB ALA A 49 -2.749 -8.393 -4.789 1.00 0.00 C ATOM 0 H ALA A 49 -0.895 -8.314 -3.276 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.985 -8.630 -6.102 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -3.479 -8.336 -5.596 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.702 -9.415 -4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.047 -7.723 -3.982 1.00 0.00 H new ATOM 778 N LEU A 50 -1.298 -5.471 -5.346 1.00 0.00 N ATOM 779 CA LEU A 50 -1.077 -4.110 -5.924 1.00 0.00 C ATOM 780 C LEU A 50 0.250 -3.925 -6.757 1.00 0.00 C ATOM 781 O LEU A 50 0.219 -3.312 -7.825 1.00 0.00 O ATOM 782 CB LEU A 50 -1.150 -3.141 -4.710 1.00 0.00 C ATOM 783 CG LEU A 50 -1.606 -1.697 -4.962 1.00 0.00 C ATOM 784 CD1 LEU A 50 -3.078 -1.621 -5.367 1.00 0.00 C ATOM 785 CD2 LEU A 50 -1.459 -0.904 -3.646 1.00 0.00 C ATOM 0 H LEU A 50 -1.341 -5.470 -4.327 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.839 -3.910 -6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.824 -3.579 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.161 -3.103 -4.254 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.994 -1.293 -5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.356 -0.580 -5.535 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.233 -2.190 -6.283 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.696 -2.038 -4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.778 0.126 -3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.078 -1.361 -2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.416 -0.916 -3.329 1.00 0.00 H new ATOM 797 N ALA A 51 1.380 -4.486 -6.299 1.00 0.00 N ATOM 798 CA ALA A 51 2.597 -4.661 -7.133 1.00 0.00 C ATOM 799 C ALA A 51 2.464 -5.617 -8.369 1.00 0.00 C ATOM 800 O ALA A 51 2.860 -5.233 -9.470 1.00 0.00 O ATOM 801 CB ALA A 51 3.723 -5.112 -6.189 1.00 0.00 C ATOM 0 H ALA A 51 1.484 -4.832 -5.345 1.00 0.00 H new ATOM 0 HA ALA A 51 2.806 -3.702 -7.606 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.641 -5.254 -6.759 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.884 -4.351 -5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.443 -6.051 -5.712 1.00 0.00 H new ATOM 807 N ARG A 52 1.881 -6.812 -8.189 1.00 0.00 N ATOM 808 CA ARG A 52 1.505 -7.735 -9.304 1.00 0.00 C ATOM 809 C ARG A 52 0.600 -7.131 -10.435 1.00 0.00 C ATOM 810 O ARG A 52 0.904 -7.322 -11.613 1.00 0.00 O ATOM 811 CB ARG A 52 0.858 -8.948 -8.592 1.00 0.00 C ATOM 812 CG ARG A 52 0.490 -10.154 -9.478 1.00 0.00 C ATOM 813 CD ARG A 52 -0.234 -11.261 -8.685 1.00 0.00 C ATOM 814 NE ARG A 52 -1.616 -10.837 -8.349 1.00 0.00 N ATOM 815 CZ ARG A 52 -2.468 -11.504 -7.595 1.00 0.00 C ATOM 816 NH1 ARG A 52 -2.210 -12.643 -7.023 1.00 0.00 N ATOM 817 NH2 ARG A 52 -3.634 -10.983 -7.424 1.00 0.00 N ATOM 0 H ARG A 52 1.650 -7.180 -7.266 1.00 0.00 H new ATOM 0 HA ARG A 52 2.391 -7.996 -9.882 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.542 -9.292 -7.816 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.047 -8.605 -8.090 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.147 -9.820 -10.297 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.396 -10.563 -9.926 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.261 -12.179 -9.272 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.317 -11.483 -7.771 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.936 -9.949 -8.736 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.296 -13.079 -7.144 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.922 -13.100 -6.453 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.864 -10.092 -7.864 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.327 -11.462 -6.849 1.00 0.00 H new ATOM 830 N LYS A 53 -0.464 -6.396 -10.085 1.00 0.00 N ATOM 831 CA LYS A 53 -1.260 -5.604 -11.064 1.00 0.00 C ATOM 832 C LYS A 53 -0.529 -4.380 -11.739 1.00 0.00 C ATOM 833 O LYS A 53 -0.833 -4.060 -12.891 1.00 0.00 O ATOM 834 CB LYS A 53 -2.540 -5.154 -10.304 1.00 0.00 C ATOM 835 CG LYS A 53 -3.672 -4.652 -11.221 1.00 0.00 C ATOM 836 CD LYS A 53 -4.841 -4.076 -10.409 1.00 0.00 C ATOM 837 CE LYS A 53 -6.058 -3.686 -11.258 1.00 0.00 C ATOM 838 NZ LYS A 53 -5.798 -2.531 -12.139 1.00 0.00 N ATOM 0 H LYS A 53 -0.804 -6.326 -9.126 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.469 -6.242 -11.923 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.911 -5.990 -9.712 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.275 -4.361 -9.605 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.284 -3.888 -11.894 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.029 -5.473 -11.843 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.150 -4.810 -9.665 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.494 -3.198 -9.865 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.359 -4.539 -11.866 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.894 -3.453 -10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.654 -2.313 -12.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.537 -1.706 -11.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.019 -2.759 -12.789 1.00 0.00 H new ATOM 851 N GLY A 54 0.374 -3.693 -11.030 1.00 0.00 N ATOM 852 CA GLY A 54 1.113 -2.526 -11.569 1.00 0.00 C ATOM 853 C GLY A 54 0.631 -1.156 -11.063 1.00 0.00 C ATOM 854 O GLY A 54 0.184 -0.324 -11.854 1.00 0.00 O ATOM 0 H GLY A 54 0.619 -3.923 -10.067 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.168 -2.637 -11.319 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.040 -2.540 -12.656 1.00 0.00 H new ATOM 858 N VAL A 55 0.770 -0.929 -9.752 1.00 0.00 N ATOM 859 CA VAL A 55 0.386 0.362 -9.106 1.00 0.00 C ATOM 860 C VAL A 55 1.445 0.896 -8.053 1.00 0.00 C ATOM 861 O VAL A 55 1.615 2.112 -7.935 1.00 0.00 O ATOM 862 CB VAL A 55 -1.065 0.431 -8.497 1.00 0.00 C ATOM 863 CG1 VAL A 55 -1.777 1.704 -9.015 1.00 0.00 C ATOM 864 CG2 VAL A 55 -2.021 -0.744 -8.764 1.00 0.00 C ATOM 0 H VAL A 55 1.147 -1.618 -9.102 1.00 0.00 H new ATOM 0 HA VAL A 55 0.381 1.034 -9.964 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.873 0.413 -7.424 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.782 1.755 -8.596 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.212 2.586 -8.712 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.839 1.669 -10.103 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.979 -0.551 -8.281 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.172 -0.854 -9.838 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.591 -1.662 -8.362 1.00 0.00 H new ATOM 874 N ILE A 56 2.136 0.015 -7.318 1.00 0.00 N ATOM 875 CA ILE A 56 3.312 0.384 -6.474 1.00 0.00 C ATOM 876 C ILE A 56 4.514 -0.622 -6.690 1.00 0.00 C ATOM 877 O ILE A 56 4.334 -1.786 -7.053 1.00 0.00 O ATOM 878 CB ILE A 56 2.966 0.586 -4.960 1.00 0.00 C ATOM 879 CG1 ILE A 56 2.149 -0.507 -4.250 1.00 0.00 C ATOM 880 CG2 ILE A 56 2.232 1.938 -4.732 1.00 0.00 C ATOM 881 CD1 ILE A 56 2.849 -1.841 -4.055 1.00 0.00 C ATOM 0 H ILE A 56 1.906 -0.978 -7.282 1.00 0.00 H new ATOM 0 HA ILE A 56 3.636 1.366 -6.819 1.00 0.00 H new ATOM 0 HB ILE A 56 3.956 0.548 -4.506 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.848 -0.131 -3.272 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.236 -0.678 -4.820 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.003 2.054 -3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.872 2.759 -5.057 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.306 1.951 -5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.178 -2.533 -3.545 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.125 -2.253 -5.026 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.747 -1.696 -3.454 1.00 0.00 H new ATOM 893 N GLU A 57 5.744 -0.150 -6.471 1.00 0.00 N ATOM 894 CA GLU A 57 6.981 -0.966 -6.617 1.00 0.00 C ATOM 895 C GLU A 57 7.553 -1.344 -5.220 1.00 0.00 C ATOM 896 O GLU A 57 8.186 -0.512 -4.567 1.00 0.00 O ATOM 897 CB GLU A 57 7.970 -0.101 -7.445 1.00 0.00 C ATOM 898 CG GLU A 57 9.308 -0.784 -7.791 1.00 0.00 C ATOM 899 CD GLU A 57 10.260 0.153 -8.518 1.00 0.00 C ATOM 900 OE1 GLU A 57 11.035 0.915 -7.950 1.00 0.00 O ATOM 901 OE2 GLU A 57 10.151 0.058 -9.870 1.00 0.00 O ATOM 0 H GLU A 57 5.925 0.812 -6.185 1.00 0.00 H new ATOM 0 HA GLU A 57 6.790 -1.912 -7.124 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.480 0.194 -8.373 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.180 0.814 -6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.780 -1.140 -6.875 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.117 -1.659 -8.412 1.00 0.00 H new ATOM 909 N ILE A 58 7.376 -2.595 -4.775 1.00 0.00 N ATOM 910 CA ILE A 58 7.960 -3.070 -3.480 1.00 0.00 C ATOM 911 C ILE A 58 9.474 -3.444 -3.706 1.00 0.00 C ATOM 912 O ILE A 58 9.794 -4.429 -4.378 1.00 0.00 O ATOM 913 CB ILE A 58 7.162 -4.277 -2.851 1.00 0.00 C ATOM 914 CG1 ILE A 58 5.637 -4.011 -2.731 1.00 0.00 C ATOM 915 CG2 ILE A 58 7.722 -4.610 -1.438 1.00 0.00 C ATOM 916 CD1 ILE A 58 4.805 -5.245 -2.376 1.00 0.00 C ATOM 0 H ILE A 58 6.840 -3.303 -5.276 1.00 0.00 H new ATOM 0 HA ILE A 58 7.883 -2.257 -2.758 1.00 0.00 H new ATOM 0 HB ILE A 58 7.297 -5.117 -3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.473 -3.247 -1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.276 -3.604 -3.676 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.164 -5.444 -1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.775 -4.881 -1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.620 -3.738 -0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.753 -4.968 -2.313 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.935 -6.005 -3.146 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.134 -5.642 -1.416 1.00 0.00 H new ATOM 928 N VAL A 59 10.377 -2.649 -3.135 1.00 0.00 N ATOM 929 CA VAL A 59 11.849 -2.870 -3.236 1.00 0.00 C ATOM 930 C VAL A 59 12.335 -3.679 -1.996 1.00 0.00 C ATOM 931 O VAL A 59 11.956 -3.399 -0.853 1.00 0.00 O ATOM 932 CB VAL A 59 12.596 -1.494 -3.332 1.00 0.00 C ATOM 933 CG1 VAL A 59 14.135 -1.619 -3.449 1.00 0.00 C ATOM 934 CG2 VAL A 59 12.150 -0.672 -4.555 1.00 0.00 C ATOM 0 H VAL A 59 10.125 -1.828 -2.585 1.00 0.00 H new ATOM 0 HA VAL A 59 12.072 -3.439 -4.138 1.00 0.00 H new ATOM 0 HB VAL A 59 12.332 -1.003 -2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.577 -0.625 -3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.526 -2.136 -2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 59 14.387 -2.184 -4.346 1.00 0.00 H new ATOM 0 HG21 VAL A 59 12.695 0.272 -4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 59 12.358 -1.233 -5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 59 11.081 -0.472 -4.488 1.00 0.00 H new ATOM 944 N SER A 60 13.241 -4.641 -2.219 1.00 0.00 N ATOM 945 CA SER A 60 13.854 -5.410 -1.107 1.00 0.00 C ATOM 946 C SER A 60 14.992 -4.640 -0.354 1.00 0.00 C ATOM 947 O SER A 60 16.184 -4.900 -0.542 1.00 0.00 O ATOM 948 CB SER A 60 14.305 -6.770 -1.686 1.00 0.00 C ATOM 949 OG SER A 60 14.914 -7.586 -0.684 1.00 0.00 O ATOM 0 H SER A 60 13.569 -4.910 -3.147 1.00 0.00 H new ATOM 0 HA SER A 60 13.115 -5.568 -0.322 1.00 0.00 H new ATOM 0 HB2 SER A 60 13.446 -7.290 -2.109 1.00 0.00 H new ATOM 0 HB3 SER A 60 15.010 -6.605 -2.501 1.00 0.00 H new ATOM 0 HG SER A 60 15.187 -8.440 -1.079 1.00 0.00 H new ATOM 955 N GLY A 61 14.590 -3.713 0.524 1.00 0.00 N ATOM 956 CA GLY A 61 15.527 -2.803 1.217 1.00 0.00 C ATOM 957 C GLY A 61 14.928 -2.227 2.507 1.00 0.00 C ATOM 958 O GLY A 61 14.156 -1.272 2.457 1.00 0.00 O ATOM 0 H GLY A 61 13.613 -3.568 0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 61 16.445 -3.341 1.453 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.799 -1.986 0.548 1.00 0.00 H new ATOM 962 N ALA A 62 15.294 -2.821 3.653 1.00 0.00 N ATOM 963 CA ALA A 62 14.838 -2.378 5.006 1.00 0.00 C ATOM 964 C ALA A 62 13.307 -2.442 5.376 1.00 0.00 C ATOM 965 O ALA A 62 12.892 -1.819 6.358 1.00 0.00 O ATOM 966 CB ALA A 62 15.479 -1.012 5.331 1.00 0.00 C ATOM 0 H ALA A 62 15.918 -3.628 3.682 1.00 0.00 H new ATOM 0 HA ALA A 62 15.199 -3.166 5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 62 15.151 -0.682 6.317 1.00 0.00 H new ATOM 0 HB2 ALA A 62 16.565 -1.108 5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 62 15.174 -0.280 4.583 1.00 0.00 H new ATOM 972 N SER A 63 12.492 -3.230 4.653 1.00 0.00 N ATOM 973 CA SER A 63 11.009 -3.310 4.837 1.00 0.00 C ATOM 974 C SER A 63 10.178 -2.080 4.359 1.00 0.00 C ATOM 975 O SER A 63 9.325 -2.234 3.482 1.00 0.00 O ATOM 976 CB SER A 63 10.571 -3.890 6.207 1.00 0.00 C ATOM 977 OG SER A 63 10.731 -2.971 7.287 1.00 0.00 O ATOM 0 H SER A 63 12.836 -3.841 3.913 1.00 0.00 H new ATOM 0 HA SER A 63 10.725 -4.066 4.104 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.525 -4.192 6.148 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.151 -4.789 6.415 1.00 0.00 H new ATOM 0 HG SER A 63 11.363 -2.269 7.028 1.00 0.00 H new ATOM 983 N ARG A 64 10.438 -0.875 4.889 1.00 0.00 N ATOM 984 CA ARG A 64 9.818 0.378 4.380 1.00 0.00 C ATOM 985 C ARG A 64 10.600 0.961 3.151 1.00 0.00 C ATOM 986 O ARG A 64 11.329 1.953 3.239 1.00 0.00 O ATOM 987 CB ARG A 64 9.672 1.394 5.552 1.00 0.00 C ATOM 988 CG ARG A 64 8.522 1.013 6.507 1.00 0.00 C ATOM 989 CD ARG A 64 8.175 2.083 7.542 1.00 0.00 C ATOM 990 NE ARG A 64 7.011 1.579 8.315 1.00 0.00 N ATOM 991 CZ ARG A 64 6.129 2.325 8.957 1.00 0.00 C ATOM 992 NH1 ARG A 64 6.154 3.623 9.010 1.00 0.00 N ATOM 993 NH2 ARG A 64 5.170 1.719 9.567 1.00 0.00 N ATOM 0 H ARG A 64 11.075 -0.732 5.673 1.00 0.00 H new ATOM 0 HA ARG A 64 8.820 0.157 4.002 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.607 1.440 6.111 1.00 0.00 H new ATOM 0 HB3 ARG A 64 9.493 2.390 5.148 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.633 0.796 5.915 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.790 0.094 7.029 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.023 2.272 8.201 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.934 3.028 7.054 1.00 0.00 H new ATOM 0 HE ARG A 64 6.881 0.568 8.354 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.894 4.139 8.533 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.434 4.126 9.528 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.113 0.701 9.542 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.468 2.257 10.075 1.00 0.00 H new ATOM 1006 N GLY A 65 10.373 0.334 1.992 1.00 0.00 N ATOM 1007 CA GLY A 65 10.913 0.789 0.693 1.00 0.00 C ATOM 1008 C GLY A 65 9.952 0.497 -0.472 1.00 0.00 C ATOM 1009 O GLY A 65 10.161 -0.461 -1.213 1.00 0.00 O ATOM 0 H GLY A 65 9.806 -0.511 1.922 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.110 1.860 0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.867 0.297 0.506 1.00 0.00 H new ATOM 1013 N ILE A 66 8.897 1.306 -0.621 1.00 0.00 N ATOM 1014 CA ILE A 66 7.812 1.049 -1.615 1.00 0.00 C ATOM 1015 C ILE A 66 7.597 2.351 -2.473 1.00 0.00 C ATOM 1016 O ILE A 66 7.180 3.389 -1.953 1.00 0.00 O ATOM 1017 CB ILE A 66 6.480 0.547 -0.941 1.00 0.00 C ATOM 1018 CG1 ILE A 66 6.655 -0.703 -0.025 1.00 0.00 C ATOM 1019 CG2 ILE A 66 5.423 0.196 -2.021 1.00 0.00 C ATOM 1020 CD1 ILE A 66 6.711 -0.353 1.465 1.00 0.00 C ATOM 0 H ILE A 66 8.758 2.153 -0.069 1.00 0.00 H new ATOM 0 HA ILE A 66 8.118 0.234 -2.271 1.00 0.00 H new ATOM 0 HB ILE A 66 6.156 1.377 -0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.829 -1.392 -0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.570 -1.225 -0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.509 -0.149 -1.537 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.205 1.081 -2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.811 -0.591 -2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.834 -1.265 2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.554 0.313 1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.785 0.143 1.757 1.00 0.00 H new ATOM 1032 N ARG A 67 7.873 2.272 -3.779 1.00 0.00 N ATOM 1033 CA ARG A 67 7.726 3.419 -4.722 1.00 0.00 C ATOM 1034 C ARG A 67 6.349 3.427 -5.481 1.00 0.00 C ATOM 1035 O ARG A 67 5.571 2.473 -5.426 1.00 0.00 O ATOM 1036 CB ARG A 67 8.942 3.389 -5.700 1.00 0.00 C ATOM 1037 CG ARG A 67 9.866 4.622 -5.629 1.00 0.00 C ATOM 1038 CD ARG A 67 9.356 5.889 -6.332 1.00 0.00 C ATOM 1039 NE ARG A 67 8.322 6.630 -5.570 1.00 0.00 N ATOM 1040 CZ ARG A 67 8.539 7.489 -4.587 1.00 0.00 C ATOM 1041 NH1 ARG A 67 9.713 7.795 -4.120 1.00 0.00 N ATOM 1042 NH2 ARG A 67 7.511 8.057 -4.058 1.00 0.00 N ATOM 0 H ARG A 67 8.205 1.417 -4.226 1.00 0.00 H new ATOM 0 HA ARG A 67 7.724 4.350 -4.155 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.534 2.498 -5.493 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.567 3.293 -6.719 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.042 4.859 -4.580 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.830 4.354 -6.061 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.200 6.553 -6.518 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.947 5.613 -7.304 1.00 0.00 H new ATOM 0 HE ARG A 67 7.350 6.461 -5.828 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.548 7.362 -4.515 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.799 8.468 -3.359 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.575 7.838 -4.400 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.633 8.726 -3.298 1.00 0.00 H new ATOM 1055 N LEU A 68 6.060 4.515 -6.195 1.00 0.00 N ATOM 1056 CA LEU A 68 4.804 4.683 -6.976 1.00 0.00 C ATOM 1057 C LEU A 68 4.986 4.278 -8.483 1.00 0.00 C ATOM 1058 O LEU A 68 5.939 4.701 -9.144 1.00 0.00 O ATOM 1059 CB LEU A 68 4.359 6.168 -6.853 1.00 0.00 C ATOM 1060 CG LEU A 68 3.427 6.520 -5.668 1.00 0.00 C ATOM 1061 CD1 LEU A 68 3.992 6.209 -4.282 1.00 0.00 C ATOM 1062 CD2 LEU A 68 3.113 8.028 -5.741 1.00 0.00 C ATOM 0 H LEU A 68 6.686 5.318 -6.257 1.00 0.00 H new ATOM 0 HA LEU A 68 4.039 4.020 -6.572 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.254 6.786 -6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.855 6.450 -7.777 1.00 0.00 H new ATOM 0 HG LEU A 68 2.544 5.891 -5.776 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.265 6.491 -3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.202 5.142 -4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.913 6.772 -4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.456 8.303 -4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.040 8.597 -5.672 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.620 8.252 -6.687 1.00 0.00 H new ATOM 1074 N LEU A 69 4.044 3.492 -9.023 1.00 0.00 N ATOM 1075 CA LEU A 69 4.016 3.128 -10.463 1.00 0.00 C ATOM 1076 C LEU A 69 2.681 3.646 -11.101 1.00 0.00 C ATOM 1077 O LEU A 69 1.609 3.056 -10.936 1.00 0.00 O ATOM 1078 CB LEU A 69 4.116 1.592 -10.673 1.00 0.00 C ATOM 1079 CG LEU A 69 5.427 0.910 -10.248 1.00 0.00 C ATOM 1080 CD1 LEU A 69 5.263 -0.614 -10.389 1.00 0.00 C ATOM 1081 CD2 LEU A 69 6.634 1.359 -11.077 1.00 0.00 C ATOM 0 H LEU A 69 3.279 3.087 -8.483 1.00 0.00 H new ATOM 0 HA LEU A 69 4.878 3.592 -10.942 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.298 1.122 -10.127 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.954 1.384 -11.731 1.00 0.00 H new ATOM 0 HG LEU A 69 5.621 1.198 -9.215 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.187 -1.109 -10.090 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.447 -0.953 -9.750 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.038 -0.861 -11.427 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.528 0.842 -10.728 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.463 1.121 -12.127 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.771 2.435 -10.967 1.00 0.00 H new