USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 388 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 30 GLN : amide:sc= -0.223 X(o=-0.45,f=-0.1) USER MOD Set 1.2: A 34 ASN : amide:sc= -0.222 X(o=-0.45,f=-0.0025) USER MOD Set 2.1: A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 21 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.035) USER MOD Single : A 6 GLN : amide:sc= -2.42! K(o=-2.4!,f=-1) USER MOD Single : A 23 SER OG : rot -51:sc= 1.18 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 25 THR OG1 : rot 76:sc= 0.0301 USER MOD Single : A 27 ASN : amide:sc= 0.273 X(o=0.27,f=0) USER MOD Single : A 28 THR OG1 : rot -131:sc= -0.441 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 180:sc= -0.0402 (180deg=-0.0402) USER MOD Single : A 38 GLN : amide:sc= -0.264 K(o=-0.26,f=-2.8!) USER MOD Single : A 39 GLN : amide:sc= -0.0076 X(o=-0.0076,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 4 -21.178 -3.137 4.504 1.00 0.00 N ATOM 37 CA LEU A 4 -20.227 -3.282 3.416 1.00 0.00 C ATOM 38 C LEU A 4 -20.760 -2.556 2.178 1.00 0.00 C ATOM 39 O LEU A 4 -19.994 -1.945 1.435 1.00 0.00 O ATOM 40 CB LEU A 4 -19.912 -4.760 3.174 1.00 0.00 C ATOM 41 CG LEU A 4 -18.526 -5.232 3.618 1.00 0.00 C ATOM 42 CD1 LEU A 4 -18.569 -6.688 4.087 1.00 0.00 C ATOM 43 CD2 LEU A 4 -17.492 -5.015 2.514 1.00 0.00 C ATOM 0 HA LEU A 4 -19.277 -2.815 3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -20.661 -5.360 3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -20.020 -4.964 2.109 1.00 0.00 H new ATOM 0 HG LEU A 4 -18.215 -4.627 4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -17.572 -7.000 4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -19.256 -6.779 4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -18.910 -7.324 3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -16.516 -5.359 2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -17.784 -5.577 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -17.437 -3.954 2.270 1.00 0.00 H new ATOM 54 N ILE A 5 -22.069 -2.647 1.997 1.00 0.00 N ATOM 55 CA ILE A 5 -22.712 -2.006 0.862 1.00 0.00 C ATOM 56 C ILE A 5 -22.307 -0.531 0.818 1.00 0.00 C ATOM 57 O ILE A 5 -22.136 0.037 -0.260 1.00 0.00 O ATOM 58 CB ILE A 5 -24.226 -2.227 0.910 1.00 0.00 C ATOM 59 CG1 ILE A 5 -24.557 -3.668 1.306 1.00 0.00 C ATOM 60 CG2 ILE A 5 -24.880 -1.831 -0.415 1.00 0.00 C ATOM 61 CD1 ILE A 5 -24.940 -3.755 2.785 1.00 0.00 C ATOM 0 H ILE A 5 -22.701 -3.154 2.616 1.00 0.00 H new ATOM 0 HA ILE A 5 -22.376 -2.457 -0.072 1.00 0.00 H new ATOM 0 HB ILE A 5 -24.642 -1.578 1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -25.378 -4.039 0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -23.698 -4.309 1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -25.955 -1.998 -0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -24.687 -0.777 -0.615 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -24.464 -2.436 -1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -25.171 -4.789 3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -24.108 -3.406 3.397 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -25.814 -3.132 2.972 1.00 0.00 H new ATOM 72 N GLN A 6 -22.167 0.047 2.002 1.00 0.00 N ATOM 73 CA GLN A 6 -21.786 1.445 2.110 1.00 0.00 C ATOM 74 C GLN A 6 -20.440 1.684 1.423 1.00 0.00 C ATOM 75 O GLN A 6 -20.322 2.562 0.570 1.00 0.00 O ATOM 76 CB GLN A 6 -21.738 1.887 3.575 1.00 0.00 C ATOM 77 CG GLN A 6 -23.103 2.401 4.037 1.00 0.00 C ATOM 78 CD GLN A 6 -22.948 3.517 5.073 1.00 0.00 C ATOM 79 OE1 GLN A 6 -23.516 3.481 6.151 1.00 0.00 O ATOM 80 NE2 GLN A 6 -22.149 4.507 4.685 1.00 0.00 N ATOM 0 H GLN A 6 -22.310 -0.427 2.894 1.00 0.00 H new ATOM 0 HA GLN A 6 -22.541 2.047 1.605 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -21.430 1.050 4.201 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -20.990 2.670 3.698 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -23.665 2.772 3.180 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -23.679 1.580 4.465 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -21.704 4.474 3.768 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -21.981 5.299 5.305 1.00 0.00 H new ATOM 87 N VAL A 7 -19.459 0.886 1.819 1.00 0.00 N ATOM 88 CA VAL A 7 -18.127 0.999 1.251 1.00 0.00 C ATOM 89 C VAL A 7 -18.169 0.592 -0.224 1.00 0.00 C ATOM 90 O VAL A 7 -17.643 1.298 -1.082 1.00 0.00 O ATOM 91 CB VAL A 7 -17.135 0.172 2.071 1.00 0.00 C ATOM 92 CG1 VAL A 7 -15.781 0.083 1.367 1.00 0.00 C ATOM 93 CG2 VAL A 7 -16.985 0.739 3.484 1.00 0.00 C ATOM 0 H VAL A 7 -19.561 0.158 2.527 1.00 0.00 H new ATOM 0 HA VAL A 7 -17.781 2.032 1.294 1.00 0.00 H new ATOM 0 HB VAL A 7 -17.533 -0.839 2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.095 -0.510 1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.908 -0.389 0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.374 1.085 1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.274 0.133 4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -16.622 1.765 3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -17.952 0.724 3.987 1.00 0.00 H new ATOM 103 N ARG A 8 -18.801 -0.547 -0.472 1.00 0.00 N ATOM 104 CA ARG A 8 -18.918 -1.056 -1.827 1.00 0.00 C ATOM 105 C ARG A 8 -19.515 0.011 -2.746 1.00 0.00 C ATOM 106 O ARG A 8 -19.006 0.248 -3.841 1.00 0.00 O ATOM 107 CB ARG A 8 -19.800 -2.306 -1.871 1.00 0.00 C ATOM 108 CG ARG A 8 -19.054 -3.523 -1.317 1.00 0.00 C ATOM 109 CD ARG A 8 -19.849 -4.808 -1.556 1.00 0.00 C ATOM 110 NE ARG A 8 -19.178 -5.948 -0.891 1.00 0.00 N ATOM 111 CZ ARG A 8 -19.686 -7.197 -0.836 1.00 0.00 C ATOM 112 NH1 ARG A 8 -20.876 -7.479 -1.407 1.00 0.00 N ATOM 113 NH2 ARG A 8 -19.002 -8.140 -0.215 1.00 0.00 N ATOM 0 H ARG A 8 -19.237 -1.130 0.242 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.917 -1.317 -2.170 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -20.707 -2.136 -1.291 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -20.110 -2.501 -2.898 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -18.076 -3.602 -1.792 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -18.880 -3.392 -0.249 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -20.862 -4.696 -1.170 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -19.935 -4.999 -2.626 1.00 0.00 H new ATOM 0 HE ARG A 8 -18.276 -5.779 -0.447 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -21.399 -6.745 -1.885 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -21.252 -8.426 -1.361 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -18.103 -7.919 0.214 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -19.372 -9.089 -0.165 1.00 0.00 H new ATOM 123 N ASP A 9 -20.586 0.628 -2.267 1.00 0.00 N ATOM 124 CA ASP A 9 -21.257 1.665 -3.032 1.00 0.00 C ATOM 125 C ASP A 9 -20.289 2.827 -3.267 1.00 0.00 C ATOM 126 O ASP A 9 -20.116 3.275 -4.398 1.00 0.00 O ATOM 127 CB ASP A 9 -22.472 2.208 -2.276 1.00 0.00 C ATOM 128 CG ASP A 9 -23.492 2.950 -3.141 1.00 0.00 C ATOM 129 OD1 ASP A 9 -23.998 2.412 -4.138 1.00 0.00 O ATOM 130 OD2 ASP A 9 -23.768 4.148 -2.752 1.00 0.00 O ATOM 0 H ASP A 9 -21.005 0.429 -1.359 1.00 0.00 H new ATOM 0 HA ASP A 9 -21.584 1.229 -3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -22.974 1.377 -1.781 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -22.123 2.882 -1.493 1.00 0.00 H new ATOM 135 N LEU A 10 -19.684 3.280 -2.179 1.00 0.00 N ATOM 136 CA LEU A 10 -18.738 4.381 -2.252 1.00 0.00 C ATOM 137 C LEU A 10 -17.594 4.002 -3.195 1.00 0.00 C ATOM 138 O LEU A 10 -17.231 4.776 -4.079 1.00 0.00 O ATOM 139 CB LEU A 10 -18.274 4.782 -0.851 1.00 0.00 C ATOM 140 CG LEU A 10 -19.156 5.793 -0.116 1.00 0.00 C ATOM 141 CD1 LEU A 10 -19.308 7.080 -0.928 1.00 0.00 C ATOM 142 CD2 LEU A 10 -20.510 5.179 0.245 1.00 0.00 C ATOM 0 H LEU A 10 -19.830 2.905 -1.242 1.00 0.00 H new ATOM 0 HA LEU A 10 -19.215 5.267 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -18.203 3.881 -0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.268 5.195 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.664 6.059 0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.940 7.782 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -18.327 7.526 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -19.766 6.851 -1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -21.117 5.919 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -21.022 4.866 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -20.357 4.315 0.891 1.00 0.00 H new ATOM 153 N LEU A 11 -17.057 2.811 -2.972 1.00 0.00 N ATOM 154 CA LEU A 11 -15.961 2.321 -3.791 1.00 0.00 C ATOM 155 C LEU A 11 -16.376 2.351 -5.263 1.00 0.00 C ATOM 156 O LEU A 11 -15.531 2.479 -6.147 1.00 0.00 O ATOM 157 CB LEU A 11 -15.508 0.942 -3.308 1.00 0.00 C ATOM 158 CG LEU A 11 -14.352 0.928 -2.305 1.00 0.00 C ATOM 159 CD1 LEU A 11 -13.908 -0.503 -1.999 1.00 0.00 C ATOM 160 CD2 LEU A 11 -13.191 1.796 -2.794 1.00 0.00 C ATOM 0 H LEU A 11 -17.360 2.172 -2.237 1.00 0.00 H new ATOM 0 HA LEU A 11 -15.091 2.971 -3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -16.362 0.439 -2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.216 0.353 -4.177 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.707 1.362 -1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.086 -0.484 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.744 -1.061 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.578 -0.986 -2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.383 1.768 -2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.829 1.415 -3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.532 2.824 -2.919 1.00 0.00 H new ATOM 171 N ALA A 12 -17.678 2.231 -5.480 1.00 0.00 N ATOM 172 CA ALA A 12 -18.215 2.244 -6.830 1.00 0.00 C ATOM 173 C ALA A 12 -18.465 3.690 -7.262 1.00 0.00 C ATOM 174 O ALA A 12 -17.904 4.151 -8.255 1.00 0.00 O ATOM 175 CB ALA A 12 -19.485 1.392 -6.881 1.00 0.00 C ATOM 0 H ALA A 12 -18.376 2.124 -4.744 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.502 1.810 -7.531 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.889 1.401 -7.893 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -19.248 0.368 -6.594 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.225 1.800 -6.192 1.00 0.00 H new ATOM 181 N LEU A 13 -19.307 4.366 -6.494 1.00 0.00 N ATOM 182 CA LEU A 13 -19.639 5.751 -6.786 1.00 0.00 C ATOM 183 C LEU A 13 -18.348 6.568 -6.889 1.00 0.00 C ATOM 184 O LEU A 13 -18.081 7.184 -7.920 1.00 0.00 O ATOM 185 CB LEU A 13 -20.628 6.293 -5.753 1.00 0.00 C ATOM 186 CG LEU A 13 -22.107 6.019 -6.034 1.00 0.00 C ATOM 187 CD1 LEU A 13 -22.512 6.552 -7.410 1.00 0.00 C ATOM 188 CD2 LEU A 13 -22.429 4.532 -5.878 1.00 0.00 C ATOM 0 H LEU A 13 -19.769 3.981 -5.670 1.00 0.00 H new ATOM 0 HA LEU A 13 -20.144 5.828 -7.749 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -20.378 5.867 -4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -20.487 7.371 -5.674 1.00 0.00 H new ATOM 0 HG LEU A 13 -22.700 6.556 -5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -23.568 6.344 -7.584 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -22.343 7.628 -7.447 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -21.914 6.064 -8.180 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -23.486 4.365 -6.083 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -21.828 3.954 -6.580 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -22.203 4.216 -4.860 1.00 0.00 H new ATOM 199 N ARG A 14 -17.585 6.547 -5.807 1.00 0.00 N ATOM 200 CA ARG A 14 -16.329 7.278 -5.764 1.00 0.00 C ATOM 201 C ARG A 14 -15.215 6.460 -6.418 1.00 0.00 C ATOM 202 O ARG A 14 -14.046 6.838 -6.361 1.00 0.00 O ATOM 203 CB ARG A 14 -15.933 7.606 -4.322 1.00 0.00 C ATOM 204 CG ARG A 14 -17.171 7.794 -3.442 1.00 0.00 C ATOM 205 CD ARG A 14 -18.152 8.779 -4.081 1.00 0.00 C ATOM 206 NE ARG A 14 -18.000 10.116 -3.466 1.00 0.00 N ATOM 207 CZ ARG A 14 -17.125 11.051 -3.894 1.00 0.00 C ATOM 208 NH1 ARG A 14 -16.315 10.801 -4.945 1.00 0.00 N ATOM 209 NH2 ARG A 14 -17.073 12.212 -3.269 1.00 0.00 N ATOM 0 H ARG A 14 -17.811 6.036 -4.954 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.469 8.210 -6.312 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -15.315 6.804 -3.919 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -15.329 8.513 -4.304 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -17.662 6.833 -3.289 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -16.871 8.159 -2.460 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -17.971 8.841 -5.154 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -19.174 8.424 -3.950 1.00 0.00 H new ATOM 0 HE ARG A 14 -18.593 10.346 -2.669 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -16.361 9.900 -5.422 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -15.657 11.513 -5.262 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -17.688 12.392 -2.475 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -16.418 12.929 -3.579 1.00 0.00 H new ATOM 219 N GLY A 15 -15.616 5.353 -7.026 1.00 0.00 N ATOM 220 CA GLY A 15 -14.666 4.478 -7.691 1.00 0.00 C ATOM 221 C GLY A 15 -13.500 4.129 -6.764 1.00 0.00 C ATOM 222 O GLY A 15 -13.696 3.906 -5.570 1.00 0.00 O ATOM 0 H GLY A 15 -16.586 5.042 -7.072 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.168 3.564 -8.009 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.287 4.963 -8.591 1.00 0.00 H new ATOM 226 N ARG A 16 -12.311 4.093 -7.348 1.00 0.00 N ATOM 227 CA ARG A 16 -11.113 3.776 -6.590 1.00 0.00 C ATOM 228 C ARG A 16 -10.736 4.947 -5.680 1.00 0.00 C ATOM 229 O ARG A 16 -10.509 6.058 -6.154 1.00 0.00 O ATOM 230 CB ARG A 16 -9.939 3.463 -7.520 1.00 0.00 C ATOM 231 CG ARG A 16 -9.763 4.562 -8.569 1.00 0.00 C ATOM 232 CD ARG A 16 -8.282 4.871 -8.797 1.00 0.00 C ATOM 233 NE ARG A 16 -8.012 5.023 -10.243 1.00 0.00 N ATOM 234 CZ ARG A 16 -7.016 5.777 -10.753 1.00 0.00 C ATOM 235 NH1 ARG A 16 -6.184 6.457 -9.935 1.00 0.00 N ATOM 236 NH2 ARG A 16 -6.866 5.842 -12.063 1.00 0.00 N ATOM 0 H ARG A 16 -12.152 4.278 -8.338 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.327 2.895 -5.985 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.024 3.363 -6.936 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.107 2.506 -8.015 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.222 4.251 -9.507 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.281 5.465 -8.245 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.008 5.785 -8.270 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.668 4.070 -8.387 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.617 4.526 -10.897 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.306 6.403 -8.924 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.433 7.025 -10.328 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.498 5.326 -12.675 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.118 6.408 -12.463 1.00 0.00 H new ATOM 246 N MET A 17 -10.680 4.656 -4.388 1.00 0.00 N ATOM 247 CA MET A 17 -10.333 5.670 -3.407 1.00 0.00 C ATOM 248 C MET A 17 -9.605 5.052 -2.213 1.00 0.00 C ATOM 249 O MET A 17 -9.456 3.834 -2.134 1.00 0.00 O ATOM 250 CB MET A 17 -11.607 6.368 -2.923 1.00 0.00 C ATOM 251 CG MET A 17 -12.081 7.408 -3.940 1.00 0.00 C ATOM 252 SD MET A 17 -11.012 8.837 -3.896 1.00 0.00 S ATOM 253 CE MET A 17 -12.172 10.075 -3.339 1.00 0.00 C ATOM 0 H MET A 17 -10.869 3.733 -3.998 1.00 0.00 H new ATOM 0 HA MET A 17 -9.668 6.393 -3.879 1.00 0.00 H new ATOM 0 HB2 MET A 17 -12.392 5.629 -2.760 1.00 0.00 H new ATOM 0 HB3 MET A 17 -11.420 6.851 -1.964 1.00 0.00 H new ATOM 0 HG2 MET A 17 -12.083 6.976 -4.941 1.00 0.00 H new ATOM 0 HG3 MET A 17 -13.106 7.704 -3.719 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.666 11.037 -3.256 1.00 0.00 H new ATOM 0 HE2 MET A 17 -12.990 10.156 -4.055 1.00 0.00 H new ATOM 0 HE3 MET A 17 -12.569 9.789 -2.365 1.00 0.00 H new ATOM 261 N GLU A 18 -9.168 5.920 -1.313 1.00 0.00 N ATOM 262 CA GLU A 18 -8.458 5.475 -0.126 1.00 0.00 C ATOM 263 C GLU A 18 -9.449 5.018 0.946 1.00 0.00 C ATOM 264 O GLU A 18 -10.620 5.394 0.915 1.00 0.00 O ATOM 265 CB GLU A 18 -7.540 6.576 0.409 1.00 0.00 C ATOM 266 CG GLU A 18 -6.291 5.980 1.061 1.00 0.00 C ATOM 267 CD GLU A 18 -6.154 6.443 2.513 1.00 0.00 C ATOM 268 OE1 GLU A 18 -6.519 7.583 2.837 1.00 0.00 O ATOM 269 OE2 GLU A 18 -5.651 5.571 3.319 1.00 0.00 O ATOM 0 H GLU A 18 -9.292 6.930 -1.382 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.831 4.626 -0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.248 7.239 -0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.080 7.183 1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.343 4.892 1.026 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.406 6.275 0.497 1.00 0.00 H new ATOM 275 N ALA A 19 -8.944 4.213 1.870 1.00 0.00 N ATOM 276 CA ALA A 19 -9.770 3.702 2.949 1.00 0.00 C ATOM 277 C ALA A 19 -10.164 4.855 3.875 1.00 0.00 C ATOM 278 O ALA A 19 -11.300 4.921 4.342 1.00 0.00 O ATOM 279 CB ALA A 19 -9.018 2.592 3.687 1.00 0.00 C ATOM 0 H ALA A 19 -7.973 3.903 1.893 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.689 3.267 2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -9.638 2.209 4.497 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.788 1.784 2.992 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.091 2.992 4.098 1.00 0.00 H new ATOM 285 N ALA A 20 -9.203 5.735 4.113 1.00 0.00 N ATOM 286 CA ALA A 20 -9.436 6.881 4.975 1.00 0.00 C ATOM 287 C ALA A 20 -10.711 7.599 4.528 1.00 0.00 C ATOM 288 O ALA A 20 -11.497 8.051 5.360 1.00 0.00 O ATOM 289 CB ALA A 20 -8.211 7.799 4.946 1.00 0.00 C ATOM 0 H ALA A 20 -8.262 5.678 3.724 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.581 6.561 6.007 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.385 8.659 5.593 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.337 7.251 5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.037 8.141 3.926 1.00 0.00 H new ATOM 295 N GLN A 21 -10.878 7.681 3.217 1.00 0.00 N ATOM 296 CA GLN A 21 -12.046 8.335 2.651 1.00 0.00 C ATOM 297 C GLN A 21 -13.304 7.510 2.928 1.00 0.00 C ATOM 298 O GLN A 21 -14.351 8.062 3.263 1.00 0.00 O ATOM 299 CB GLN A 21 -11.866 8.574 1.150 1.00 0.00 C ATOM 300 CG GLN A 21 -11.277 9.961 0.883 1.00 0.00 C ATOM 301 CD GLN A 21 -12.357 10.932 0.401 1.00 0.00 C ATOM 302 OE1 GLN A 21 -12.168 11.700 -0.529 1.00 0.00 O ATOM 303 NE2 GLN A 21 -13.496 10.855 1.083 1.00 0.00 N ATOM 0 H GLN A 21 -10.224 7.306 2.530 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.161 9.307 3.130 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.210 7.810 0.732 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.827 8.480 0.645 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.817 10.346 1.793 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.489 9.887 0.134 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -13.587 10.189 1.851 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.279 11.461 0.839 1.00 0.00 H new ATOM 310 N ILE A 22 -13.160 6.202 2.778 1.00 0.00 N ATOM 311 CA ILE A 22 -14.271 5.295 3.007 1.00 0.00 C ATOM 312 C ILE A 22 -14.750 5.438 4.454 1.00 0.00 C ATOM 313 O ILE A 22 -15.947 5.560 4.707 1.00 0.00 O ATOM 314 CB ILE A 22 -13.884 3.865 2.626 1.00 0.00 C ATOM 315 CG1 ILE A 22 -13.463 3.784 1.157 1.00 0.00 C ATOM 316 CG2 ILE A 22 -15.014 2.885 2.953 1.00 0.00 C ATOM 317 CD1 ILE A 22 -12.446 2.662 0.940 1.00 0.00 C ATOM 0 H ILE A 22 -12.290 5.748 2.500 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.112 5.554 2.364 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.021 3.574 3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.340 3.611 0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.032 4.736 0.845 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -14.713 1.876 2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.225 2.917 4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.910 3.164 2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.163 2.626 -0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.561 2.851 1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -12.888 1.709 1.230 1.00 0.00 H new ATOM 328 N SER A 23 -13.789 5.418 5.366 1.00 0.00 N ATOM 329 CA SER A 23 -14.096 5.543 6.780 1.00 0.00 C ATOM 330 C SER A 23 -14.799 6.876 7.046 1.00 0.00 C ATOM 331 O SER A 23 -15.735 6.940 7.842 1.00 0.00 O ATOM 332 CB SER A 23 -12.830 5.431 7.632 1.00 0.00 C ATOM 333 OG SER A 23 -12.052 6.625 7.591 1.00 0.00 O ATOM 0 H SER A 23 -12.797 5.317 5.153 1.00 0.00 H new ATOM 0 HA SER A 23 -14.761 4.726 7.059 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.105 5.213 8.664 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.228 4.594 7.279 1.00 0.00 H new ATOM 0 HG SER A 23 -11.902 6.886 6.658 1.00 0.00 H new ATOM 338 N GLN A 24 -14.321 7.907 6.365 1.00 0.00 N ATOM 339 CA GLN A 24 -14.893 9.233 6.519 1.00 0.00 C ATOM 340 C GLN A 24 -16.369 9.226 6.120 1.00 0.00 C ATOM 341 O GLN A 24 -17.207 9.796 6.817 1.00 0.00 O ATOM 342 CB GLN A 24 -14.110 10.265 5.703 1.00 0.00 C ATOM 343 CG GLN A 24 -13.241 11.138 6.611 1.00 0.00 C ATOM 344 CD GLN A 24 -13.759 12.576 6.649 1.00 0.00 C ATOM 345 OE1 GLN A 24 -14.948 12.833 6.749 1.00 0.00 O ATOM 346 NE2 GLN A 24 -12.804 13.498 6.564 1.00 0.00 N ATOM 0 H GLN A 24 -13.545 7.851 5.706 1.00 0.00 H new ATOM 0 HA GLN A 24 -14.823 9.517 7.569 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.481 9.755 4.973 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -14.803 10.893 5.144 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -13.233 10.724 7.619 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.211 11.128 6.254 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.828 13.215 6.482 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -13.048 14.488 6.581 1.00 0.00 H new ATOM 353 N THR A 25 -16.643 8.573 4.999 1.00 0.00 N ATOM 354 CA THR A 25 -18.004 8.483 4.499 1.00 0.00 C ATOM 355 C THR A 25 -18.959 8.072 5.622 1.00 0.00 C ATOM 356 O THR A 25 -20.024 8.664 5.784 1.00 0.00 O ATOM 357 CB THR A 25 -18.009 7.518 3.313 1.00 0.00 C ATOM 358 OG1 THR A 25 -17.436 8.272 2.248 1.00 0.00 O ATOM 359 CG2 THR A 25 -19.424 7.199 2.824 1.00 0.00 C ATOM 0 H THR A 25 -15.945 8.102 4.424 1.00 0.00 H new ATOM 0 HA THR A 25 -18.362 9.451 4.150 1.00 0.00 H new ATOM 0 HB THR A 25 -17.505 6.594 3.596 1.00 0.00 H new ATOM 0 HG1 THR A 25 -16.466 8.330 2.374 1.00 0.00 H new ATOM 0 HG21 THR A 25 -19.371 6.510 1.981 1.00 0.00 H new ATOM 0 HG22 THR A 25 -19.994 6.740 3.632 1.00 0.00 H new ATOM 0 HG23 THR A 25 -19.917 8.119 2.510 1.00 0.00 H new ATOM 367 N LEU A 26 -18.543 7.058 6.368 1.00 0.00 N ATOM 368 CA LEU A 26 -19.347 6.561 7.471 1.00 0.00 C ATOM 369 C LEU A 26 -18.686 6.950 8.794 1.00 0.00 C ATOM 370 O LEU A 26 -18.929 6.320 9.823 1.00 0.00 O ATOM 371 CB LEU A 26 -19.587 5.057 7.321 1.00 0.00 C ATOM 372 CG LEU A 26 -18.601 4.306 6.425 1.00 0.00 C ATOM 373 CD1 LEU A 26 -18.568 2.816 6.774 1.00 0.00 C ATOM 374 CD2 LEU A 26 -18.915 4.540 4.947 1.00 0.00 C ATOM 0 H LEU A 26 -17.659 6.568 6.230 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.335 7.021 7.462 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.563 4.605 8.313 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.592 4.907 6.927 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.603 4.703 6.609 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -17.859 2.305 6.122 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.260 2.692 7.812 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.561 2.388 6.636 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.199 3.995 4.332 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.923 4.187 4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -18.847 5.605 4.725 1.00 0.00 H new ATOM 385 N ASN A 27 -17.865 7.987 8.726 1.00 0.00 N ATOM 386 CA ASN A 27 -17.167 8.468 9.908 1.00 0.00 C ATOM 387 C ASN A 27 -16.744 7.275 10.766 1.00 0.00 C ATOM 388 O ASN A 27 -16.696 7.372 11.991 1.00 0.00 O ATOM 389 CB ASN A 27 -18.074 9.362 10.756 1.00 0.00 C ATOM 390 CG ASN A 27 -17.314 10.589 11.265 1.00 0.00 C ATOM 391 OD1 ASN A 27 -17.495 11.701 10.798 1.00 0.00 O ATOM 392 ND2 ASN A 27 -16.455 10.324 12.245 1.00 0.00 N ATOM 0 H ASN A 27 -17.667 8.508 7.872 1.00 0.00 H new ATOM 0 HA ASN A 27 -16.300 9.041 9.578 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -18.932 9.681 10.164 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -18.463 8.794 11.601 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -15.898 11.075 12.652 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -16.353 9.369 12.589 1.00 0.00 H new ATOM 398 N THR A 28 -16.447 6.175 10.088 1.00 0.00 N ATOM 399 CA THR A 28 -16.030 4.964 10.773 1.00 0.00 C ATOM 400 C THR A 28 -14.552 5.053 11.158 1.00 0.00 C ATOM 401 O THR A 28 -13.817 5.886 10.630 1.00 0.00 O ATOM 402 CB THR A 28 -16.351 3.773 9.868 1.00 0.00 C ATOM 403 OG1 THR A 28 -16.996 2.843 10.734 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.094 3.037 9.400 1.00 0.00 C ATOM 0 H THR A 28 -16.487 6.098 9.072 1.00 0.00 H new ATOM 0 HA THR A 28 -16.572 4.833 11.710 1.00 0.00 H new ATOM 0 HB THR A 28 -16.913 4.118 9.000 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.589 1.958 10.626 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.379 2.201 8.761 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.459 3.722 8.839 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.548 2.662 10.266 1.00 0.00 H new ATOM 412 N PRO A 29 -14.149 4.159 12.101 1.00 0.00 N ATOM 413 CA PRO A 29 -12.771 4.128 12.563 1.00 0.00 C ATOM 414 C PRO A 29 -11.856 3.489 11.516 1.00 0.00 C ATOM 415 O PRO A 29 -12.189 2.452 10.945 1.00 0.00 O ATOM 416 CB PRO A 29 -12.812 3.351 13.869 1.00 0.00 C ATOM 417 CG PRO A 29 -14.122 2.581 13.856 1.00 0.00 C ATOM 418 CD PRO A 29 -14.990 3.157 12.749 1.00 0.00 C ATOM 0 HA PRO A 29 -12.357 5.124 12.720 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.962 2.673 13.947 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.763 4.024 14.725 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -13.940 1.520 13.685 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.625 2.667 14.819 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.298 2.384 12.045 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -15.900 3.604 13.151 1.00 0.00 H new ATOM 423 N GLN A 30 -10.720 4.136 11.297 1.00 0.00 N ATOM 424 CA GLN A 30 -9.754 3.645 10.330 1.00 0.00 C ATOM 425 C GLN A 30 -9.577 2.132 10.477 1.00 0.00 C ATOM 426 O GLN A 30 -9.686 1.393 9.500 1.00 0.00 O ATOM 427 CB GLN A 30 -8.415 4.368 10.475 1.00 0.00 C ATOM 428 CG GLN A 30 -7.907 4.862 9.118 1.00 0.00 C ATOM 429 CD GLN A 30 -7.354 3.703 8.286 1.00 0.00 C ATOM 430 OE1 GLN A 30 -6.384 3.055 8.644 1.00 0.00 O ATOM 431 NE2 GLN A 30 -8.024 3.479 7.159 1.00 0.00 N ATOM 0 H GLN A 30 -10.448 4.996 11.773 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.135 3.852 9.330 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.526 5.213 11.155 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.681 3.696 10.919 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.718 5.348 8.577 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.129 5.611 9.267 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.828 4.060 6.920 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.734 2.727 6.534 1.00 0.00 H new ATOM 438 N PRO A 31 -9.301 1.706 11.738 1.00 0.00 N ATOM 439 CA PRO A 31 -9.108 0.294 12.026 1.00 0.00 C ATOM 440 C PRO A 31 -10.444 -0.452 12.031 1.00 0.00 C ATOM 441 O PRO A 31 -10.778 -1.130 13.001 1.00 0.00 O ATOM 442 CB PRO A 31 -8.405 0.260 13.374 1.00 0.00 C ATOM 443 CG PRO A 31 -8.645 1.622 14.004 1.00 0.00 C ATOM 444 CD PRO A 31 -9.165 2.553 12.920 1.00 0.00 C ATOM 0 HA PRO A 31 -8.512 -0.212 11.267 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.804 -0.537 14.002 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.339 0.068 13.254 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.366 1.544 14.818 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.722 2.013 14.432 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.120 2.995 13.202 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.474 3.376 12.740 1.00 0.00 H new ATOM 449 N MET A 32 -11.172 -0.301 10.934 1.00 0.00 N ATOM 450 CA MET A 32 -12.465 -0.952 10.799 1.00 0.00 C ATOM 451 C MET A 32 -12.725 -1.358 9.347 1.00 0.00 C ATOM 452 O MET A 32 -13.130 -2.487 9.077 1.00 0.00 O ATOM 453 CB MET A 32 -13.568 -0.001 11.269 1.00 0.00 C ATOM 454 CG MET A 32 -14.695 -0.770 11.961 1.00 0.00 C ATOM 455 SD MET A 32 -16.277 -0.104 11.472 1.00 0.00 S ATOM 456 CE MET A 32 -17.347 -0.991 12.591 1.00 0.00 C ATOM 0 H MET A 32 -10.892 0.262 10.131 1.00 0.00 H new ATOM 0 HA MET A 32 -12.463 -1.852 11.414 1.00 0.00 H new ATOM 0 HB2 MET A 32 -13.150 0.736 11.955 1.00 0.00 H new ATOM 0 HB3 MET A 32 -13.967 0.548 10.416 1.00 0.00 H new ATOM 0 HG2 MET A 32 -14.639 -1.827 11.700 1.00 0.00 H new ATOM 0 HG3 MET A 32 -14.581 -0.703 13.043 1.00 0.00 H new ATOM 0 HE1 MET A 32 -18.381 -0.692 12.419 1.00 0.00 H new ATOM 0 HE2 MET A 32 -17.246 -2.063 12.419 1.00 0.00 H new ATOM 0 HE3 MET A 32 -17.069 -0.761 13.619 1.00 0.00 H new ATOM 464 N ILE A 33 -12.482 -0.414 8.449 1.00 0.00 N ATOM 465 CA ILE A 33 -12.685 -0.659 7.032 1.00 0.00 C ATOM 466 C ILE A 33 -11.559 -1.553 6.506 1.00 0.00 C ATOM 467 O ILE A 33 -11.783 -2.394 5.638 1.00 0.00 O ATOM 468 CB ILE A 33 -12.824 0.662 6.274 1.00 0.00 C ATOM 469 CG1 ILE A 33 -14.007 1.477 6.805 1.00 0.00 C ATOM 470 CG2 ILE A 33 -12.924 0.422 4.766 1.00 0.00 C ATOM 471 CD1 ILE A 33 -15.247 0.595 6.972 1.00 0.00 C ATOM 0 H ILE A 33 -12.146 0.522 8.676 1.00 0.00 H new ATOM 0 HA ILE A 33 -13.621 -1.194 6.869 1.00 0.00 H new ATOM 0 HB ILE A 33 -11.923 1.251 6.447 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -13.744 1.926 7.763 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.227 2.295 6.119 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -13.022 1.378 4.251 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.025 -0.087 4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -13.796 -0.196 4.553 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -16.073 1.197 7.350 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -15.521 0.167 6.008 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -15.030 -0.208 7.677 1.00 0.00 H new ATOM 482 N ASN A 34 -10.372 -1.338 7.056 1.00 0.00 N ATOM 483 CA ASN A 34 -9.211 -2.114 6.653 1.00 0.00 C ATOM 484 C ASN A 34 -9.527 -3.605 6.787 1.00 0.00 C ATOM 485 O ASN A 34 -9.090 -4.412 5.968 1.00 0.00 O ATOM 486 CB ASN A 34 -8.006 -1.804 7.545 1.00 0.00 C ATOM 487 CG ASN A 34 -7.337 -0.493 7.125 1.00 0.00 C ATOM 488 OD1 ASN A 34 -6.741 -0.382 6.066 1.00 0.00 O ATOM 489 ND2 ASN A 34 -7.468 0.488 8.012 1.00 0.00 N ATOM 0 H ASN A 34 -10.190 -0.639 7.776 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.973 -1.855 5.621 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.326 -1.736 8.585 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.285 -2.620 7.486 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.056 1.402 7.826 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.980 0.326 8.879 1.00 0.00 H new ATOM 495 N ALA A 35 -10.284 -3.925 7.827 1.00 0.00 N ATOM 496 CA ALA A 35 -10.664 -5.305 8.079 1.00 0.00 C ATOM 497 C ALA A 35 -11.535 -5.808 6.926 1.00 0.00 C ATOM 498 O ALA A 35 -11.310 -6.899 6.404 1.00 0.00 O ATOM 499 CB ALA A 35 -11.374 -5.400 9.430 1.00 0.00 C ATOM 0 H ALA A 35 -10.644 -3.253 8.504 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.782 -5.943 8.129 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.659 -6.435 9.619 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.703 -5.058 10.218 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.267 -4.774 9.417 1.00 0.00 H new ATOM 505 N MET A 36 -12.510 -4.988 6.561 1.00 0.00 N ATOM 506 CA MET A 36 -13.416 -5.337 5.480 1.00 0.00 C ATOM 507 C MET A 36 -12.666 -5.446 4.151 1.00 0.00 C ATOM 508 O MET A 36 -12.818 -6.429 3.427 1.00 0.00 O ATOM 509 CB MET A 36 -14.507 -4.271 5.364 1.00 0.00 C ATOM 510 CG MET A 36 -15.037 -3.877 6.745 1.00 0.00 C ATOM 511 SD MET A 36 -16.796 -4.170 6.831 1.00 0.00 S ATOM 512 CE MET A 36 -17.400 -2.602 6.230 1.00 0.00 C ATOM 0 H MET A 36 -12.692 -4.083 6.995 1.00 0.00 H new ATOM 0 HA MET A 36 -13.864 -6.305 5.704 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.109 -3.391 4.859 1.00 0.00 H new ATOM 0 HB3 MET A 36 -15.325 -4.648 4.750 1.00 0.00 H new ATOM 0 HG2 MET A 36 -14.526 -4.452 7.517 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.825 -2.825 6.938 1.00 0.00 H new ATOM 0 HE1 MET A 36 -18.490 -2.612 6.219 1.00 0.00 H new ATOM 0 HE2 MET A 36 -17.051 -1.803 6.884 1.00 0.00 H new ATOM 0 HE3 MET A 36 -17.028 -2.432 5.220 1.00 0.00 H new ATOM 520 N LEU A 37 -11.873 -4.423 3.870 1.00 0.00 N ATOM 521 CA LEU A 37 -11.099 -4.391 2.640 1.00 0.00 C ATOM 522 C LEU A 37 -10.264 -5.669 2.535 1.00 0.00 C ATOM 523 O LEU A 37 -10.104 -6.223 1.449 1.00 0.00 O ATOM 524 CB LEU A 37 -10.271 -3.107 2.561 1.00 0.00 C ATOM 525 CG LEU A 37 -11.049 -1.825 2.259 1.00 0.00 C ATOM 526 CD1 LEU A 37 -10.286 -0.592 2.748 1.00 0.00 C ATOM 527 CD2 LEU A 37 -11.396 -1.732 0.772 1.00 0.00 C ATOM 0 H LEU A 37 -11.749 -3.610 4.473 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.760 -4.370 1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.748 -2.976 3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.509 -3.236 1.792 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.990 -1.859 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.861 0.306 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.133 -0.662 3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.319 -0.540 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.949 -0.812 0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.478 -1.731 0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.008 -2.588 0.487 1.00 0.00 H new ATOM 538 N GLN A 38 -9.752 -6.100 3.679 1.00 0.00 N ATOM 539 CA GLN A 38 -8.938 -7.302 3.731 1.00 0.00 C ATOM 540 C GLN A 38 -9.771 -8.524 3.340 1.00 0.00 C ATOM 541 O GLN A 38 -9.339 -9.340 2.528 1.00 0.00 O ATOM 542 CB GLN A 38 -8.313 -7.483 5.115 1.00 0.00 C ATOM 543 CG GLN A 38 -6.818 -7.791 5.007 1.00 0.00 C ATOM 544 CD GLN A 38 -6.427 -8.941 5.936 1.00 0.00 C ATOM 545 OE1 GLN A 38 -7.238 -9.490 6.664 1.00 0.00 O ATOM 546 NE2 GLN A 38 -5.141 -9.275 5.871 1.00 0.00 N ATOM 0 H GLN A 38 -9.886 -5.637 4.578 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.124 -7.197 3.014 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.460 -6.578 5.705 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.817 -8.293 5.642 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.570 -8.050 3.978 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.241 -6.902 5.260 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.515 -8.774 5.240 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.781 -10.032 6.452 1.00 0.00 H new ATOM 553 N GLN A 39 -10.950 -8.613 3.938 1.00 0.00 N ATOM 554 CA GLN A 39 -11.847 -9.722 3.663 1.00 0.00 C ATOM 555 C GLN A 39 -12.172 -9.784 2.170 1.00 0.00 C ATOM 556 O GLN A 39 -12.074 -10.845 1.553 1.00 0.00 O ATOM 557 CB GLN A 39 -13.125 -9.614 4.498 1.00 0.00 C ATOM 558 CG GLN A 39 -13.493 -10.965 5.115 1.00 0.00 C ATOM 559 CD GLN A 39 -14.544 -10.797 6.215 1.00 0.00 C ATOM 560 OE1 GLN A 39 -15.635 -10.298 5.995 1.00 0.00 O ATOM 561 NE2 GLN A 39 -14.154 -11.240 7.406 1.00 0.00 N ATOM 0 H GLN A 39 -11.305 -7.935 4.612 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.345 -10.648 3.945 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.986 -8.875 5.287 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.944 -9.261 3.872 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.875 -11.631 4.341 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.601 -11.435 5.528 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.226 -11.647 7.520 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.783 -11.173 8.206 1.00 0.00 H new ATOM 568 N LEU A 40 -12.552 -8.635 1.630 1.00 0.00 N ATOM 569 CA LEU A 40 -12.892 -8.545 0.220 1.00 0.00 C ATOM 570 C LEU A 40 -11.704 -9.023 -0.617 1.00 0.00 C ATOM 571 O LEU A 40 -11.872 -9.814 -1.544 1.00 0.00 O ATOM 572 CB LEU A 40 -13.362 -7.132 -0.129 1.00 0.00 C ATOM 573 CG LEU A 40 -14.558 -6.607 0.668 1.00 0.00 C ATOM 574 CD1 LEU A 40 -14.781 -5.116 0.403 1.00 0.00 C ATOM 575 CD2 LEU A 40 -15.813 -7.434 0.382 1.00 0.00 C ATOM 0 H LEU A 40 -12.632 -7.758 2.144 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.731 -9.201 -0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.526 -6.447 0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.617 -7.107 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.336 -6.716 1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -15.637 -4.768 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.893 -4.557 0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.973 -4.960 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.648 -7.040 0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.050 -7.380 -0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.636 -8.473 0.661 1.00 0.00 H new ATOM 586 N GLU A 41 -10.530 -8.523 -0.261 1.00 0.00 N ATOM 587 CA GLU A 41 -9.314 -8.889 -0.968 1.00 0.00 C ATOM 588 C GLU A 41 -9.100 -10.402 -0.906 1.00 0.00 C ATOM 589 O GLU A 41 -8.896 -11.047 -1.934 1.00 0.00 O ATOM 590 CB GLU A 41 -8.106 -8.140 -0.405 1.00 0.00 C ATOM 591 CG GLU A 41 -6.833 -8.494 -1.175 1.00 0.00 C ATOM 592 CD GLU A 41 -5.707 -8.897 -0.221 1.00 0.00 C ATOM 593 OE1 GLU A 41 -5.647 -8.398 0.912 1.00 0.00 O ATOM 594 OE2 GLU A 41 -4.876 -9.763 -0.693 1.00 0.00 O ATOM 0 H GLU A 41 -10.395 -7.867 0.508 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.423 -8.600 -2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.282 -7.066 -0.460 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.979 -8.388 0.649 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.038 -9.311 -1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.518 -7.640 -1.775 1.00 0.00 H new ATOM 600 N SER A 42 -9.153 -10.927 0.309 1.00 0.00 N ATOM 601 CA SER A 42 -8.966 -12.353 0.519 1.00 0.00 C ATOM 602 C SER A 42 -9.939 -13.142 -0.360 1.00 0.00 C ATOM 603 O SER A 42 -9.538 -14.076 -1.052 1.00 0.00 O ATOM 604 CB SER A 42 -9.160 -12.723 1.991 1.00 0.00 C ATOM 605 OG SER A 42 -8.561 -13.976 2.309 1.00 0.00 O ATOM 0 H SER A 42 -9.323 -10.390 1.159 1.00 0.00 H new ATOM 0 HA SER A 42 -7.944 -12.610 0.240 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.729 -11.945 2.620 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.225 -12.762 2.218 1.00 0.00 H new ATOM 0 HG SER A 42 -8.705 -14.176 3.258 1.00 0.00 H new ATOM 610 N MET A 43 -11.199 -12.736 -0.303 1.00 0.00 N ATOM 611 CA MET A 43 -12.233 -13.394 -1.085 1.00 0.00 C ATOM 612 C MET A 43 -12.009 -13.175 -2.583 1.00 0.00 C ATOM 613 O MET A 43 -12.162 -14.100 -3.379 1.00 0.00 O ATOM 614 CB MET A 43 -13.602 -12.844 -0.687 1.00 0.00 C ATOM 615 CG MET A 43 -14.026 -13.368 0.687 1.00 0.00 C ATOM 616 SD MET A 43 -15.776 -13.721 0.693 1.00 0.00 S ATOM 617 CE MET A 43 -15.733 -15.503 0.788 1.00 0.00 C ATOM 0 H MET A 43 -11.527 -11.960 0.272 1.00 0.00 H new ATOM 0 HA MET A 43 -12.190 -14.464 -0.883 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.569 -11.755 -0.670 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.343 -13.129 -1.433 1.00 0.00 H new ATOM 0 HG2 MET A 43 -13.464 -14.270 0.931 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.793 -12.630 1.455 1.00 0.00 H new ATOM 0 HE1 MET A 43 -16.751 -15.891 0.801 1.00 0.00 H new ATOM 0 HE2 MET A 43 -15.204 -15.901 -0.078 1.00 0.00 H new ATOM 0 HE3 MET A 43 -15.217 -15.806 1.699 1.00 0.00 H new ATOM 625 N GLY A 44 -11.652 -11.945 -2.922 1.00 0.00 N ATOM 626 CA GLY A 44 -11.406 -11.593 -4.310 1.00 0.00 C ATOM 627 C GLY A 44 -12.561 -10.763 -4.877 1.00 0.00 C ATOM 628 O GLY A 44 -13.024 -11.016 -5.989 1.00 0.00 O ATOM 0 H GLY A 44 -11.527 -11.180 -2.259 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.476 -11.030 -4.387 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.279 -12.499 -4.902 1.00 0.00 H new ATOM 632 N LYS A 45 -12.991 -9.790 -4.087 1.00 0.00 N ATOM 633 CA LYS A 45 -14.082 -8.922 -4.497 1.00 0.00 C ATOM 634 C LYS A 45 -13.509 -7.602 -5.019 1.00 0.00 C ATOM 635 O LYS A 45 -13.682 -7.267 -6.190 1.00 0.00 O ATOM 636 CB LYS A 45 -15.086 -8.748 -3.356 1.00 0.00 C ATOM 637 CG LYS A 45 -15.232 -10.041 -2.552 1.00 0.00 C ATOM 638 CD LYS A 45 -16.238 -10.986 -3.212 1.00 0.00 C ATOM 639 CE LYS A 45 -16.935 -11.861 -2.167 1.00 0.00 C ATOM 640 NZ LYS A 45 -18.147 -11.187 -1.650 1.00 0.00 N ATOM 0 H LYS A 45 -12.604 -9.584 -3.166 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.641 -9.374 -5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.759 -7.942 -2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.055 -8.456 -3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.263 -10.534 -2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.557 -9.808 -1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.981 -10.407 -3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.727 -11.618 -3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.206 -12.820 -2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.250 -12.071 -1.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.607 -11.795 -0.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.881 -10.283 -1.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.806 -11.009 -2.434 1.00 0.00 H new ATOM 649 N ALA A 46 -12.841 -6.890 -4.125 1.00 0.00 N ATOM 650 CA ALA A 46 -12.242 -5.614 -4.481 1.00 0.00 C ATOM 651 C ALA A 46 -10.805 -5.844 -4.951 1.00 0.00 C ATOM 652 O ALA A 46 -10.303 -6.967 -4.901 1.00 0.00 O ATOM 653 CB ALA A 46 -12.320 -4.662 -3.285 1.00 0.00 C ATOM 0 H ALA A 46 -12.701 -7.171 -3.155 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.787 -5.150 -5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.871 -3.705 -3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.363 -4.509 -3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.781 -5.093 -2.441 1.00 0.00 H new ATOM 659 N VAL A 47 -10.181 -4.764 -5.397 1.00 0.00 N ATOM 660 CA VAL A 47 -8.811 -4.833 -5.875 1.00 0.00 C ATOM 661 C VAL A 47 -7.998 -3.701 -5.245 1.00 0.00 C ATOM 662 O VAL A 47 -8.554 -2.679 -4.847 1.00 0.00 O ATOM 663 CB VAL A 47 -8.789 -4.807 -7.404 1.00 0.00 C ATOM 664 CG1 VAL A 47 -9.598 -5.969 -7.984 1.00 0.00 C ATOM 665 CG2 VAL A 47 -9.296 -3.465 -7.936 1.00 0.00 C ATOM 0 H VAL A 47 -10.600 -3.835 -5.437 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.347 -5.772 -5.573 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.755 -4.926 -7.727 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.566 -5.927 -9.073 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.173 -6.914 -7.645 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.632 -5.895 -7.648 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.270 -3.472 -9.026 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.320 -3.303 -7.598 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.660 -2.662 -7.564 1.00 0.00 H new ATOM 675 N ARG A 48 -6.692 -3.920 -5.175 1.00 0.00 N ATOM 676 CA ARG A 48 -5.797 -2.931 -4.601 1.00 0.00 C ATOM 677 C ARG A 48 -5.382 -1.911 -5.663 1.00 0.00 C ATOM 678 O ARG A 48 -5.112 -2.276 -6.807 1.00 0.00 O ATOM 679 CB ARG A 48 -4.545 -3.592 -4.021 1.00 0.00 C ATOM 680 CG ARG A 48 -4.013 -2.804 -2.823 1.00 0.00 C ATOM 681 CD ARG A 48 -4.314 -3.531 -1.511 1.00 0.00 C ATOM 682 NE ARG A 48 -3.071 -3.689 -0.723 1.00 0.00 N ATOM 683 CZ ARG A 48 -2.550 -2.728 0.069 1.00 0.00 C ATOM 684 NH1 ARG A 48 -3.162 -1.530 0.186 1.00 0.00 N ATOM 685 NH2 ARG A 48 -1.433 -2.977 0.728 1.00 0.00 N ATOM 0 H ARG A 48 -6.233 -4.769 -5.507 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.333 -2.426 -3.797 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.777 -4.612 -3.716 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.775 -3.656 -4.789 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.937 -2.662 -2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.465 -1.812 -2.806 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.050 -2.970 -0.935 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.749 -4.508 -1.719 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.577 -4.580 -0.782 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.025 -1.346 -0.326 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.762 -0.809 0.787 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.977 -3.885 0.634 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.026 -2.262 1.331 1.00 0.00 H new ATOM 695 N ILE A 49 -5.341 -0.654 -5.248 1.00 0.00 N ATOM 696 CA ILE A 49 -4.963 0.421 -6.149 1.00 0.00 C ATOM 697 C ILE A 49 -3.687 1.089 -5.633 1.00 0.00 C ATOM 698 O ILE A 49 -3.427 1.090 -4.430 1.00 0.00 O ATOM 699 CB ILE A 49 -6.129 1.391 -6.345 1.00 0.00 C ATOM 700 CG1 ILE A 49 -7.258 0.737 -7.144 1.00 0.00 C ATOM 701 CG2 ILE A 49 -5.655 2.696 -6.988 1.00 0.00 C ATOM 702 CD1 ILE A 49 -6.741 0.183 -8.474 1.00 0.00 C ATOM 0 H ILE A 49 -5.564 -0.355 -4.298 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.738 0.026 -7.140 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.532 1.643 -5.364 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.703 -0.068 -6.559 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.045 1.467 -7.332 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.504 3.368 -7.116 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.912 3.169 -6.346 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.211 2.482 -7.960 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.564 -0.276 -9.021 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.319 0.995 -9.067 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.971 -0.564 -8.282 1.00 0.00 H new ATOM 713 N GLN A 50 -2.927 1.641 -6.565 1.00 0.00 N ATOM 714 CA GLN A 50 -1.685 2.312 -6.219 1.00 0.00 C ATOM 715 C GLN A 50 -1.754 3.790 -6.607 1.00 0.00 C ATOM 716 O GLN A 50 -2.472 4.160 -7.535 1.00 0.00 O ATOM 717 CB GLN A 50 -0.488 1.626 -6.882 1.00 0.00 C ATOM 718 CG GLN A 50 0.784 2.459 -6.711 1.00 0.00 C ATOM 719 CD GLN A 50 2.033 1.600 -6.924 1.00 0.00 C ATOM 720 OE1 GLN A 50 2.482 1.376 -8.036 1.00 0.00 O ATOM 721 NE2 GLN A 50 2.567 1.135 -5.799 1.00 0.00 N ATOM 0 H GLN A 50 -3.147 1.638 -7.561 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.548 2.246 -5.140 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.342 0.638 -6.445 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.690 1.478 -7.943 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.781 3.285 -7.422 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.805 2.897 -5.713 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.140 1.361 -4.901 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.404 0.552 -5.834 1.00 0.00 H new ATOM 728 N GLU A 51 -0.996 4.596 -5.878 1.00 0.00 N ATOM 729 CA GLU A 51 -0.962 6.026 -6.134 1.00 0.00 C ATOM 730 C GLU A 51 0.327 6.404 -6.868 1.00 0.00 C ATOM 731 O GLU A 51 1.247 5.595 -6.968 1.00 0.00 O ATOM 732 CB GLU A 51 -1.105 6.820 -4.833 1.00 0.00 C ATOM 733 CG GLU A 51 -2.561 7.226 -4.597 1.00 0.00 C ATOM 734 CD GLU A 51 -2.650 8.656 -4.057 1.00 0.00 C ATOM 735 OE1 GLU A 51 -3.012 8.854 -2.887 1.00 0.00 O ATOM 736 OE2 GLU A 51 -2.326 9.577 -4.898 1.00 0.00 O ATOM 0 H GLU A 51 -0.401 4.286 -5.110 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.808 6.281 -6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.751 6.219 -3.995 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.477 7.710 -4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.119 7.150 -5.530 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.025 6.537 -3.891 1.00 0.00 H new ATOM 975 N ARG A 72 0.618 5.319 -0.541 1.00 0.00 N ATOM 976 CA ARG A 72 -0.705 5.099 0.017 1.00 0.00 C ATOM 977 C ARG A 72 -1.598 4.384 -0.999 1.00 0.00 C ATOM 978 O ARG A 72 -2.255 5.029 -1.815 1.00 0.00 O ATOM 979 CB ARG A 72 -1.360 6.421 0.420 1.00 0.00 C ATOM 980 CG ARG A 72 -1.133 6.717 1.905 1.00 0.00 C ATOM 981 CD ARG A 72 -2.456 7.009 2.614 1.00 0.00 C ATOM 982 NE ARG A 72 -2.394 6.538 4.016 1.00 0.00 N ATOM 983 CZ ARG A 72 -2.252 5.244 4.373 1.00 0.00 C ATOM 984 NH1 ARG A 72 -2.156 4.280 3.432 1.00 0.00 N ATOM 985 NH2 ARG A 72 -2.209 4.935 5.655 1.00 0.00 N ATOM 0 HA ARG A 72 -0.590 4.478 0.905 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.951 7.232 -0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.429 6.379 0.214 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.643 5.866 2.378 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.463 7.570 2.011 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.662 8.079 2.590 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.275 6.515 2.091 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.463 7.234 4.758 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.191 4.527 2.443 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.049 3.305 3.710 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.283 5.669 6.359 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.102 3.962 5.942 1.00 0.00 H new ATOM 995 N GLU A 73 -1.592 3.062 -0.916 1.00 0.00 N ATOM 996 CA GLU A 73 -2.393 2.253 -1.819 1.00 0.00 C ATOM 997 C GLU A 73 -3.878 2.580 -1.649 1.00 0.00 C ATOM 998 O GLU A 73 -4.335 2.848 -0.539 1.00 0.00 O ATOM 999 CB GLU A 73 -2.132 0.761 -1.597 1.00 0.00 C ATOM 1000 CG GLU A 73 -0.814 0.334 -2.246 1.00 0.00 C ATOM 1001 CD GLU A 73 0.306 0.247 -1.207 1.00 0.00 C ATOM 1002 OE1 GLU A 73 1.367 0.861 -1.387 1.00 0.00 O ATOM 1003 OE2 GLU A 73 0.043 -0.492 -0.183 1.00 0.00 O ATOM 0 H GLU A 73 -1.046 2.531 -0.238 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.103 2.491 -2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.101 0.548 -0.528 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.953 0.178 -2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.940 -0.634 -2.732 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.539 1.047 -3.023 1.00 0.00 H new ATOM 1009 N TRP A 74 -4.590 2.548 -2.766 1.00 0.00 N ATOM 1010 CA TRP A 74 -6.014 2.839 -2.755 1.00 0.00 C ATOM 1011 C TRP A 74 -6.767 1.516 -2.911 1.00 0.00 C ATOM 1012 O TRP A 74 -6.161 0.480 -3.177 1.00 0.00 O ATOM 1013 CB TRP A 74 -6.373 3.863 -3.833 1.00 0.00 C ATOM 1014 CG TRP A 74 -6.119 5.315 -3.421 1.00 0.00 C ATOM 1015 CD1 TRP A 74 -5.898 5.797 -2.192 1.00 0.00 C ATOM 1016 CD2 TRP A 74 -6.069 6.460 -4.298 1.00 0.00 C ATOM 1017 NE1 TRP A 74 -5.709 7.164 -2.210 1.00 0.00 N ATOM 1018 CE2 TRP A 74 -5.817 7.580 -3.532 1.00 0.00 C ATOM 1019 CE3 TRP A 74 -6.230 6.548 -5.692 1.00 0.00 C ATOM 1020 CZ2 TRP A 74 -5.704 8.868 -4.070 1.00 0.00 C ATOM 1021 CZ3 TRP A 74 -6.114 7.841 -6.214 1.00 0.00 C ATOM 1022 CH2 TRP A 74 -5.862 8.979 -5.458 1.00 0.00 C ATOM 0 H TRP A 74 -4.207 2.325 -3.685 1.00 0.00 H new ATOM 0 HA TRP A 74 -6.307 3.297 -1.811 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.797 3.645 -4.733 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.425 3.748 -4.092 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.871 5.192 -1.298 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -5.524 7.759 -1.402 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -6.428 5.685 -6.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.506 9.729 -3.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.229 7.963 -7.281 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.788 9.944 -5.937 1.00 0.00 H new ATOM 1032 N TRP A 75 -8.079 1.596 -2.740 1.00 0.00 N ATOM 1033 CA TRP A 75 -8.921 0.418 -2.859 1.00 0.00 C ATOM 1034 C TRP A 75 -10.001 0.712 -3.903 1.00 0.00 C ATOM 1035 O TRP A 75 -10.439 1.854 -4.044 1.00 0.00 O ATOM 1036 CB TRP A 75 -9.497 0.016 -1.501 1.00 0.00 C ATOM 1037 CG TRP A 75 -8.445 -0.451 -0.492 1.00 0.00 C ATOM 1038 CD1 TRP A 75 -7.806 0.282 0.430 1.00 0.00 C ATOM 1039 CD2 TRP A 75 -7.935 -1.791 -0.340 1.00 0.00 C ATOM 1040 NE1 TRP A 75 -6.923 -0.486 1.162 1.00 0.00 N ATOM 1041 CE2 TRP A 75 -7.004 -1.787 0.678 1.00 0.00 C ATOM 1042 CE3 TRP A 75 -8.249 -2.969 -1.041 1.00 0.00 C ATOM 1043 CZ2 TRP A 75 -6.311 -2.932 1.089 1.00 0.00 C ATOM 1044 CZ3 TRP A 75 -7.547 -4.106 -0.618 1.00 0.00 C ATOM 1045 CH2 TRP A 75 -6.607 -4.118 0.405 1.00 0.00 C ATOM 0 H TRP A 75 -8.579 2.458 -2.520 1.00 0.00 H new ATOM 0 HA TRP A 75 -8.338 -0.440 -3.193 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -10.037 0.865 -1.081 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -10.224 -0.783 -1.648 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -7.962 1.340 0.581 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -6.322 -0.159 1.919 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -8.973 -2.995 -1.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -5.587 -2.902 1.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -7.751 -5.039 -1.123 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -6.107 -5.037 0.672 1.00 0.00 H new ATOM 1055 N ALA A 76 -10.400 -0.337 -4.608 1.00 0.00 N ATOM 1056 CA ALA A 76 -11.419 -0.204 -5.634 1.00 0.00 C ATOM 1057 C ALA A 76 -12.097 -1.559 -5.851 1.00 0.00 C ATOM 1058 O ALA A 76 -11.628 -2.579 -5.349 1.00 0.00 O ATOM 1059 CB ALA A 76 -10.787 0.342 -6.915 1.00 0.00 C ATOM 0 H ALA A 76 -10.036 -1.282 -4.488 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.187 0.504 -5.322 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.552 0.442 -7.685 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.344 1.318 -6.715 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.013 -0.344 -7.260 1.00 0.00 H new ATOM 1065 N LEU A 77 -13.190 -1.526 -6.599 1.00 0.00 N ATOM 1066 CA LEU A 77 -13.937 -2.738 -6.888 1.00 0.00 C ATOM 1067 C LEU A 77 -13.331 -3.424 -8.114 1.00 0.00 C ATOM 1068 O LEU A 77 -12.680 -2.779 -8.934 1.00 0.00 O ATOM 1069 CB LEU A 77 -15.428 -2.427 -7.032 1.00 0.00 C ATOM 1070 CG LEU A 77 -16.032 -1.524 -5.954 1.00 0.00 C ATOM 1071 CD1 LEU A 77 -17.486 -1.179 -6.280 1.00 0.00 C ATOM 1072 CD2 LEU A 77 -15.889 -2.155 -4.568 1.00 0.00 C ATOM 0 H LEU A 77 -13.576 -0.678 -7.014 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.860 -3.440 -6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.589 -1.958 -8.003 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.976 -3.369 -7.038 1.00 0.00 H new ATOM 0 HG LEU A 77 -15.475 -0.587 -5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.892 -0.537 -5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -17.531 -0.659 -7.237 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -18.073 -2.095 -6.337 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.326 -1.493 -3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.406 -3.115 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.833 -2.307 -4.345 1.00 0.00 H new ATOM 1083 N ARG A 78 -13.566 -4.725 -8.200 1.00 0.00 N ATOM 1084 CA ARG A 78 -13.052 -5.507 -9.312 1.00 0.00 C ATOM 1085 C ARG A 78 -13.735 -5.089 -10.615 1.00 0.00 C ATOM 1086 O ARG A 78 -14.159 -3.944 -10.758 1.00 0.00 O ATOM 1087 CB ARG A 78 -13.277 -7.003 -9.083 1.00 0.00 C ATOM 1088 CG ARG A 78 -12.840 -7.816 -10.304 1.00 0.00 C ATOM 1089 CD ARG A 78 -11.316 -7.829 -10.438 1.00 0.00 C ATOM 1090 NE ARG A 78 -10.926 -8.456 -11.719 1.00 0.00 N ATOM 1091 CZ ARG A 78 -10.848 -7.795 -12.894 1.00 0.00 C ATOM 1092 NH1 ARG A 78 -11.134 -6.476 -12.957 1.00 0.00 N ATOM 1093 NH2 ARG A 78 -10.489 -8.454 -13.979 1.00 0.00 N ATOM 0 H ARG A 78 -14.106 -5.258 -7.518 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.981 -5.319 -9.383 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.718 -7.328 -8.206 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -14.331 -7.189 -8.876 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.210 -8.838 -10.216 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.284 -7.393 -11.205 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.930 -6.811 -10.390 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.874 -8.377 -9.606 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.702 -9.451 -11.715 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.411 -5.973 -12.114 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.073 -5.983 -13.848 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.275 -9.450 -13.923 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.426 -7.968 -14.873 1.00 0.00 H new