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= -0.27 K(o=-0.66,f=-0.048) USER MOD Set 1.2: A 34 ASN : amide:sc= -0.386 K(o=-0.66,f=-0.048) USER MOD Single : A 6 GLN : amide:sc= -7.74! C(o=-7.7!,f=-4!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.923 K(o=-0.92,f=0) USER MOD Single : A 23 SER OG : rot -48:sc= 0.444 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.677 X(o=-0.68,f=-0.39) USER MOD Single : A 28 THR OG1 : rot -141:sc= -1.68 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 180:sc= -0.167 (180deg=-0.167) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc=-0.00211 X(o=-0.0021,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= -0.0794 K(o=-0.079,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 4 -20.296 -3.009 4.348 1.00 0.00 N ATOM 37 CA LEU A 4 -19.670 -3.466 3.119 1.00 0.00 C ATOM 38 C LEU A 4 -20.406 -2.861 1.922 1.00 0.00 C ATOM 39 O LEU A 4 -19.785 -2.511 0.920 1.00 0.00 O ATOM 40 CB LEU A 4 -19.599 -4.994 3.090 1.00 0.00 C ATOM 41 CG LEU A 4 -18.244 -5.609 3.444 1.00 0.00 C ATOM 42 CD1 LEU A 4 -18.363 -6.532 4.659 1.00 0.00 C ATOM 43 CD2 LEU A 4 -17.635 -6.326 2.238 1.00 0.00 C ATOM 0 HA LEU A 4 -18.637 -3.121 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -20.345 -5.386 3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -19.880 -5.332 2.093 1.00 0.00 H new ATOM 0 HG LEU A 4 -17.563 -4.803 3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -17.386 -6.957 4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -18.723 -5.962 5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -19.065 -7.336 4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -16.672 -6.754 2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -18.305 -7.121 1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -17.493 -5.614 1.425 1.00 0.00 H new ATOM 54 N ILE A 5 -21.719 -2.756 2.066 1.00 0.00 N ATOM 55 CA ILE A 5 -22.546 -2.199 1.009 1.00 0.00 C ATOM 56 C ILE A 5 -22.281 -0.697 0.897 1.00 0.00 C ATOM 57 O ILE A 5 -22.443 -0.112 -0.172 1.00 0.00 O ATOM 58 CB ILE A 5 -24.018 -2.549 1.240 1.00 0.00 C ATOM 59 CG1 ILE A 5 -24.173 -4.007 1.675 1.00 0.00 C ATOM 60 CG2 ILE A 5 -24.858 -2.227 0.004 1.00 0.00 C ATOM 61 CD1 ILE A 5 -23.436 -4.947 0.718 1.00 0.00 C ATOM 0 H ILE A 5 -22.231 -3.047 2.899 1.00 0.00 H new ATOM 0 HA ILE A 5 -22.284 -2.641 0.048 1.00 0.00 H new ATOM 0 HB ILE A 5 -24.393 -1.929 2.054 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -23.783 -4.132 2.685 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -25.230 -4.270 1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -25.900 -2.485 0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -24.783 -1.163 -0.220 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -24.491 -2.803 -0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -23.563 -5.977 1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -23.845 -4.837 -0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -22.375 -4.697 0.707 1.00 0.00 H new ATOM 72 N GLN A 6 -21.877 -0.115 2.017 1.00 0.00 N ATOM 73 CA GLN A 6 -21.587 1.309 2.058 1.00 0.00 C ATOM 74 C GLN A 6 -20.241 1.596 1.390 1.00 0.00 C ATOM 75 O GLN A 6 -20.159 2.424 0.483 1.00 0.00 O ATOM 76 CB GLN A 6 -21.607 1.830 3.497 1.00 0.00 C ATOM 77 CG GLN A 6 -22.985 2.390 3.857 1.00 0.00 C ATOM 78 CD GLN A 6 -22.861 3.758 4.531 1.00 0.00 C ATOM 79 OE1 GLN A 6 -23.663 4.655 4.327 1.00 0.00 O ATOM 80 NE2 GLN A 6 -21.813 3.869 5.342 1.00 0.00 N ATOM 0 H GLN A 6 -21.744 -0.603 2.903 1.00 0.00 H new ATOM 0 HA GLN A 6 -22.365 1.835 1.504 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -21.347 1.024 4.183 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -20.852 2.607 3.617 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -23.593 2.478 2.956 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -23.500 1.698 4.523 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -21.180 3.079 5.468 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -21.642 4.744 5.838 1.00 0.00 H new ATOM 87 N VAL A 7 -19.221 0.897 1.862 1.00 0.00 N ATOM 88 CA VAL A 7 -17.882 1.067 1.321 1.00 0.00 C ATOM 89 C VAL A 7 -17.877 0.656 -0.153 1.00 0.00 C ATOM 90 O VAL A 7 -17.162 1.244 -0.963 1.00 0.00 O ATOM 91 CB VAL A 7 -16.874 0.283 2.164 1.00 0.00 C ATOM 92 CG1 VAL A 7 -17.274 -1.190 2.269 1.00 0.00 C ATOM 93 CG2 VAL A 7 -15.458 0.428 1.600 1.00 0.00 C ATOM 0 H VAL A 7 -19.293 0.211 2.613 1.00 0.00 H new ATOM 0 HA VAL A 7 -17.580 2.113 1.368 1.00 0.00 H new ATOM 0 HB VAL A 7 -16.879 0.703 3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.541 -1.724 2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -18.256 -1.268 2.737 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -17.311 -1.629 1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.761 -0.139 2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.432 0.046 0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.172 1.480 1.601 1.00 0.00 H new ATOM 103 N ARG A 8 -18.683 -0.351 -0.456 1.00 0.00 N ATOM 104 CA ARG A 8 -18.779 -0.848 -1.818 1.00 0.00 C ATOM 105 C ARG A 8 -19.409 0.211 -2.726 1.00 0.00 C ATOM 106 O ARG A 8 -18.838 0.571 -3.754 1.00 0.00 O ATOM 107 CB ARG A 8 -19.617 -2.126 -1.880 1.00 0.00 C ATOM 108 CG ARG A 8 -18.746 -3.365 -1.666 1.00 0.00 C ATOM 109 CD ARG A 8 -19.402 -4.609 -2.268 1.00 0.00 C ATOM 110 NE ARG A 8 -19.167 -4.648 -3.730 1.00 0.00 N ATOM 111 CZ ARG A 8 -20.033 -4.171 -4.648 1.00 0.00 C ATOM 112 NH1 ARG A 8 -21.202 -3.614 -4.264 1.00 0.00 N ATOM 113 NH2 ARG A 8 -19.721 -4.257 -5.928 1.00 0.00 N ATOM 0 H ARG A 8 -19.275 -0.836 0.218 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.769 -1.072 -2.161 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -20.397 -2.090 -1.120 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -20.116 -2.191 -2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -17.768 -3.209 -2.121 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -18.580 -3.517 -0.599 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -18.995 -5.506 -1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -20.473 -4.601 -2.063 1.00 0.00 H new ATOM 0 HE ARG A 8 -18.296 -5.061 -4.063 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -21.436 -3.551 -3.273 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -21.851 -3.256 -4.965 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -18.836 -4.679 -6.210 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -20.365 -3.901 -6.635 1.00 0.00 H new ATOM 123 N ASP A 9 -20.576 0.682 -2.311 1.00 0.00 N ATOM 124 CA ASP A 9 -21.289 1.692 -3.073 1.00 0.00 C ATOM 125 C ASP A 9 -20.380 2.905 -3.280 1.00 0.00 C ATOM 126 O ASP A 9 -20.268 3.419 -4.392 1.00 0.00 O ATOM 127 CB ASP A 9 -22.541 2.162 -2.330 1.00 0.00 C ATOM 128 CG ASP A 9 -23.567 2.898 -3.193 1.00 0.00 C ATOM 129 OD1 ASP A 9 -23.786 2.550 -4.363 1.00 0.00 O ATOM 130 OD2 ASP A 9 -24.166 3.881 -2.610 1.00 0.00 O ATOM 0 H ASP A 9 -21.045 0.382 -1.456 1.00 0.00 H new ATOM 0 HA ASP A 9 -21.580 1.251 -4.027 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -23.024 1.295 -1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -22.236 2.819 -1.515 1.00 0.00 H new ATOM 135 N LEU A 10 -19.752 3.327 -2.192 1.00 0.00 N ATOM 136 CA LEU A 10 -18.857 4.469 -2.240 1.00 0.00 C ATOM 137 C LEU A 10 -17.693 4.160 -3.184 1.00 0.00 C ATOM 138 O LEU A 10 -17.390 4.947 -4.080 1.00 0.00 O ATOM 139 CB LEU A 10 -18.414 4.863 -0.829 1.00 0.00 C ATOM 140 CG LEU A 10 -19.100 6.093 -0.230 1.00 0.00 C ATOM 141 CD1 LEU A 10 -18.975 7.299 -1.164 1.00 0.00 C ATOM 142 CD2 LEU A 10 -20.558 5.791 0.123 1.00 0.00 C ATOM 0 H LEU A 10 -19.846 2.897 -1.272 1.00 0.00 H new ATOM 0 HA LEU A 10 -19.374 5.340 -2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -18.587 4.016 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.339 5.042 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.591 6.350 0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.471 8.160 -0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.921 7.529 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -19.444 7.068 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -21.022 6.682 0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -21.096 5.495 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -20.596 4.981 0.851 1.00 0.00 H new ATOM 153 N LEU A 11 -17.072 3.013 -2.952 1.00 0.00 N ATOM 154 CA LEU A 11 -15.950 2.589 -3.771 1.00 0.00 C ATOM 155 C LEU A 11 -16.381 2.547 -5.239 1.00 0.00 C ATOM 156 O LEU A 11 -15.550 2.670 -6.137 1.00 0.00 O ATOM 157 CB LEU A 11 -15.382 1.264 -3.259 1.00 0.00 C ATOM 158 CG LEU A 11 -14.284 1.371 -2.197 1.00 0.00 C ATOM 159 CD1 LEU A 11 -13.914 -0.009 -1.651 1.00 0.00 C ATOM 160 CD2 LEU A 11 -13.065 2.118 -2.743 1.00 0.00 C ATOM 0 H LEU A 11 -17.325 2.364 -2.207 1.00 0.00 H new ATOM 0 HA LEU A 11 -15.134 3.308 -3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -16.202 0.675 -2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -14.985 0.709 -4.109 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.671 1.954 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.132 0.095 -0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.793 -0.469 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.553 -0.637 -2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.300 2.180 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.667 1.583 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.359 3.123 -3.044 1.00 0.00 H new ATOM 171 N ALA A 12 -17.680 2.374 -5.436 1.00 0.00 N ATOM 172 CA ALA A 12 -18.232 2.314 -6.777 1.00 0.00 C ATOM 173 C ALA A 12 -18.546 3.732 -7.259 1.00 0.00 C ATOM 174 O ALA A 12 -18.008 4.181 -8.271 1.00 0.00 O ATOM 175 CB ALA A 12 -19.466 1.410 -6.783 1.00 0.00 C ATOM 0 H ALA A 12 -18.366 2.273 -4.688 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.509 1.883 -7.469 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.880 1.366 -7.790 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -19.184 0.407 -6.462 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.215 1.812 -6.101 1.00 0.00 H new ATOM 181 N LEU A 13 -19.414 4.397 -6.512 1.00 0.00 N ATOM 182 CA LEU A 13 -19.806 5.755 -6.850 1.00 0.00 C ATOM 183 C LEU A 13 -18.563 6.646 -6.889 1.00 0.00 C ATOM 184 O LEU A 13 -18.247 7.232 -7.923 1.00 0.00 O ATOM 185 CB LEU A 13 -20.890 6.255 -5.892 1.00 0.00 C ATOM 186 CG LEU A 13 -22.328 5.871 -6.248 1.00 0.00 C ATOM 187 CD1 LEU A 13 -22.429 4.383 -6.591 1.00 0.00 C ATOM 188 CD2 LEU A 13 -23.294 6.268 -5.130 1.00 0.00 C ATOM 0 H LEU A 13 -19.857 4.021 -5.674 1.00 0.00 H new ATOM 0 HA LEU A 13 -20.252 5.785 -7.844 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -20.669 5.874 -4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -20.827 7.342 -5.839 1.00 0.00 H new ATOM 0 HG LEU A 13 -22.620 6.428 -7.139 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -23.461 4.136 -6.840 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -21.787 4.162 -7.444 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -22.111 3.790 -5.734 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -24.309 5.984 -5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -23.014 5.757 -4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -23.248 7.346 -4.975 1.00 0.00 H new ATOM 199 N ARG A 14 -17.891 6.719 -5.749 1.00 0.00 N ATOM 200 CA ARG A 14 -16.689 7.529 -5.640 1.00 0.00 C ATOM 201 C ARG A 14 -15.518 6.836 -6.339 1.00 0.00 C ATOM 202 O ARG A 14 -14.438 7.411 -6.468 1.00 0.00 O ATOM 203 CB ARG A 14 -16.324 7.778 -4.175 1.00 0.00 C ATOM 204 CG ARG A 14 -17.250 8.822 -3.550 1.00 0.00 C ATOM 205 CD ARG A 14 -18.679 8.674 -4.077 1.00 0.00 C ATOM 206 NE ARG A 14 -19.562 9.675 -3.437 1.00 0.00 N ATOM 207 CZ ARG A 14 -19.579 10.985 -3.761 1.00 0.00 C ATOM 208 NH1 ARG A 14 -18.761 11.465 -4.721 1.00 0.00 N ATOM 209 NH2 ARG A 14 -20.408 11.791 -3.123 1.00 0.00 N ATOM 0 H ARG A 14 -18.156 6.231 -4.893 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.889 8.487 -6.121 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -16.392 6.845 -3.616 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -15.290 8.116 -4.106 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -17.246 8.714 -2.465 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -16.878 9.822 -3.772 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -18.692 8.805 -5.159 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -19.048 7.669 -3.873 1.00 0.00 H new ATOM 0 HE ARG A 14 -20.197 9.355 -2.706 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -18.123 10.836 -5.209 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -18.781 12.457 -4.959 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -21.022 11.421 -2.398 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -20.434 12.784 -3.355 1.00 0.00 H new ATOM 219 N GLY A 15 -15.770 5.610 -6.773 1.00 0.00 N ATOM 220 CA GLY A 15 -14.749 4.833 -7.457 1.00 0.00 C ATOM 221 C GLY A 15 -13.621 4.448 -6.498 1.00 0.00 C ATOM 222 O GLY A 15 -13.846 4.292 -5.299 1.00 0.00 O ATOM 0 H GLY A 15 -16.666 5.135 -6.665 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.194 3.933 -7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.344 5.410 -8.288 1.00 0.00 H new ATOM 226 N ARG A 16 -12.431 4.304 -7.064 1.00 0.00 N ATOM 227 CA ARG A 16 -11.267 3.940 -6.275 1.00 0.00 C ATOM 228 C ARG A 16 -10.940 5.045 -5.269 1.00 0.00 C ATOM 229 O ARG A 16 -11.020 6.229 -5.594 1.00 0.00 O ATOM 230 CB ARG A 16 -10.049 3.697 -7.169 1.00 0.00 C ATOM 231 CG ARG A 16 -9.418 5.021 -7.607 1.00 0.00 C ATOM 232 CD ARG A 16 -10.365 5.804 -8.518 1.00 0.00 C ATOM 233 NE ARG A 16 -9.601 6.796 -9.308 1.00 0.00 N ATOM 234 CZ ARG A 16 -9.996 7.275 -10.507 1.00 0.00 C ATOM 235 NH1 ARG A 16 -11.152 6.857 -11.065 1.00 0.00 N ATOM 236 NH2 ARG A 16 -9.236 8.158 -11.126 1.00 0.00 N ATOM 0 H ARG A 16 -12.249 4.433 -8.059 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.503 3.018 -5.743 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.313 3.099 -6.632 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.346 3.124 -8.047 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.174 5.620 -6.729 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.482 4.826 -8.130 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.889 5.120 -9.186 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.124 6.309 -7.920 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.721 7.139 -8.922 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.735 6.174 -10.580 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.443 7.224 -11.971 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.364 8.469 -10.698 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.520 8.529 -12.032 1.00 0.00 H new ATOM 246 N MET A 17 -10.580 4.620 -4.066 1.00 0.00 N ATOM 247 CA MET A 17 -10.242 5.559 -3.011 1.00 0.00 C ATOM 248 C MET A 17 -9.798 4.824 -1.744 1.00 0.00 C ATOM 249 O MET A 17 -10.264 3.719 -1.469 1.00 0.00 O ATOM 250 CB MET A 17 -11.457 6.433 -2.695 1.00 0.00 C ATOM 251 CG MET A 17 -11.053 7.660 -1.876 1.00 0.00 C ATOM 252 SD MET A 17 -10.844 9.069 -2.950 1.00 0.00 S ATOM 253 CE MET A 17 -9.109 9.404 -2.689 1.00 0.00 C ATOM 0 H MET A 17 -10.515 3.638 -3.799 1.00 0.00 H new ATOM 0 HA MET A 17 -9.416 6.181 -3.356 1.00 0.00 H new ATOM 0 HB2 MET A 17 -11.931 6.751 -3.623 1.00 0.00 H new ATOM 0 HB3 MET A 17 -12.195 5.850 -2.143 1.00 0.00 H new ATOM 0 HG2 MET A 17 -11.815 7.874 -1.126 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.125 7.460 -1.340 1.00 0.00 H new ATOM 0 HE1 MET A 17 -8.810 10.262 -3.291 1.00 0.00 H new ATOM 0 HE2 MET A 17 -8.935 9.621 -1.635 1.00 0.00 H new ATOM 0 HE3 MET A 17 -8.522 8.533 -2.982 1.00 0.00 H new ATOM 261 N GLU A 18 -8.903 5.467 -1.008 1.00 0.00 N ATOM 262 CA GLU A 18 -8.392 4.888 0.222 1.00 0.00 C ATOM 263 C GLU A 18 -9.519 4.734 1.246 1.00 0.00 C ATOM 264 O GLU A 18 -10.452 5.536 1.271 1.00 0.00 O ATOM 265 CB GLU A 18 -7.247 5.728 0.790 1.00 0.00 C ATOM 266 CG GLU A 18 -6.424 4.925 1.798 1.00 0.00 C ATOM 267 CD GLU A 18 -5.017 4.648 1.261 1.00 0.00 C ATOM 268 OE1 GLU A 18 -4.385 5.548 0.688 1.00 0.00 O ATOM 269 OE2 GLU A 18 -4.585 3.450 1.458 1.00 0.00 O ATOM 0 H GLU A 18 -8.519 6.383 -1.240 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.995 3.898 -0.004 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.603 6.068 -0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.650 6.619 1.272 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.357 5.474 2.737 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.927 3.982 2.015 1.00 0.00 H new ATOM 275 N ALA A 19 -9.397 3.700 2.064 1.00 0.00 N ATOM 276 CA ALA A 19 -10.394 3.431 3.086 1.00 0.00 C ATOM 277 C ALA A 19 -10.497 4.638 4.020 1.00 0.00 C ATOM 278 O ALA A 19 -11.595 5.024 4.420 1.00 0.00 O ATOM 279 CB ALA A 19 -10.026 2.147 3.832 1.00 0.00 C ATOM 0 H ALA A 19 -8.622 3.037 2.040 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.375 3.277 2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.774 1.945 4.599 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.993 1.315 3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.049 2.266 4.300 1.00 0.00 H new ATOM 285 N ALA A 20 -9.342 5.201 4.339 1.00 0.00 N ATOM 286 CA ALA A 20 -9.289 6.357 5.218 1.00 0.00 C ATOM 287 C ALA A 20 -10.388 7.344 4.822 1.00 0.00 C ATOM 288 O ALA A 20 -10.993 7.984 5.681 1.00 0.00 O ATOM 289 CB ALA A 20 -7.894 6.982 5.157 1.00 0.00 C ATOM 0 H ALA A 20 -8.434 4.878 4.004 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.468 6.061 6.252 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.855 7.849 5.816 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.153 6.249 5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.679 7.294 4.135 1.00 0.00 H new ATOM 295 N GLN A 21 -10.614 7.438 3.519 1.00 0.00 N ATOM 296 CA GLN A 21 -11.630 8.337 2.998 1.00 0.00 C ATOM 297 C GLN A 21 -13.022 7.735 3.197 1.00 0.00 C ATOM 298 O GLN A 21 -13.914 8.392 3.733 1.00 0.00 O ATOM 299 CB GLN A 21 -11.375 8.656 1.524 1.00 0.00 C ATOM 300 CG GLN A 21 -10.512 9.911 1.375 1.00 0.00 C ATOM 301 CD GLN A 21 -11.377 11.138 1.077 1.00 0.00 C ATOM 302 OE1 GLN A 21 -11.099 11.922 0.185 1.00 0.00 O ATOM 303 NE2 GLN A 21 -12.437 11.258 1.871 1.00 0.00 N ATOM 0 H GLN A 21 -10.111 6.906 2.809 1.00 0.00 H new ATOM 0 HA GLN A 21 -11.578 9.274 3.552 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.880 7.811 1.046 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.325 8.801 1.010 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.943 10.076 2.290 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.790 9.767 0.572 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -12.610 10.565 2.599 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.077 12.043 1.752 1.00 0.00 H new ATOM 310 N ILE A 22 -13.164 6.495 2.756 1.00 0.00 N ATOM 311 CA ILE A 22 -14.433 5.797 2.878 1.00 0.00 C ATOM 312 C ILE A 22 -14.881 5.816 4.340 1.00 0.00 C ATOM 313 O ILE A 22 -16.015 6.188 4.643 1.00 0.00 O ATOM 314 CB ILE A 22 -14.332 4.392 2.283 1.00 0.00 C ATOM 315 CG1 ILE A 22 -13.967 4.449 0.799 1.00 0.00 C ATOM 316 CG2 ILE A 22 -15.618 3.599 2.527 1.00 0.00 C ATOM 317 CD1 ILE A 22 -12.898 3.409 0.456 1.00 0.00 C ATOM 0 H ILE A 22 -12.421 5.954 2.313 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.205 6.306 2.301 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.526 3.863 2.792 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.857 4.273 0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.603 5.446 0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -15.519 2.604 2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.794 3.512 3.599 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.458 4.116 2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.657 3.471 -0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.001 3.602 1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.274 2.412 0.685 1.00 0.00 H new ATOM 328 N SER A 23 -13.969 5.409 5.211 1.00 0.00 N ATOM 329 CA SER A 23 -14.256 5.374 6.635 1.00 0.00 C ATOM 330 C SER A 23 -14.841 6.715 7.085 1.00 0.00 C ATOM 331 O SER A 23 -15.794 6.751 7.861 1.00 0.00 O ATOM 332 CB SER A 23 -12.998 5.047 7.442 1.00 0.00 C ATOM 333 OG SER A 23 -12.136 6.175 7.568 1.00 0.00 O ATOM 0 H SER A 23 -13.030 5.101 4.958 1.00 0.00 H new ATOM 0 HA SER A 23 -14.987 4.587 6.817 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.284 4.697 8.434 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.460 4.231 6.959 1.00 0.00 H new ATOM 0 HG SER A 23 -12.006 6.587 6.689 1.00 0.00 H new ATOM 338 N GLN A 24 -14.247 7.784 6.575 1.00 0.00 N ATOM 339 CA GLN A 24 -14.697 9.123 6.915 1.00 0.00 C ATOM 340 C GLN A 24 -16.122 9.348 6.404 1.00 0.00 C ATOM 341 O GLN A 24 -16.968 9.870 7.128 1.00 0.00 O ATOM 342 CB GLN A 24 -13.742 10.180 6.358 1.00 0.00 C ATOM 343 CG GLN A 24 -12.881 10.782 7.471 1.00 0.00 C ATOM 344 CD GLN A 24 -12.665 12.280 7.246 1.00 0.00 C ATOM 345 OE1 GLN A 24 -13.150 13.121 7.984 1.00 0.00 O ATOM 346 NE2 GLN A 24 -11.910 12.565 6.189 1.00 0.00 N ATOM 0 H GLN A 24 -13.458 7.750 5.929 1.00 0.00 H new ATOM 0 HA GLN A 24 -14.700 9.220 8.001 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.101 9.732 5.599 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -14.313 10.969 5.868 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -13.362 10.621 8.436 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.918 10.273 7.506 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.535 11.812 5.612 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.706 13.537 5.955 1.00 0.00 H new ATOM 353 N THR A 25 -16.343 8.944 5.162 1.00 0.00 N ATOM 354 CA THR A 25 -17.650 9.095 4.548 1.00 0.00 C ATOM 355 C THR A 25 -18.705 8.317 5.337 1.00 0.00 C ATOM 356 O THR A 25 -19.800 8.821 5.582 1.00 0.00 O ATOM 357 CB THR A 25 -17.539 8.655 3.086 1.00 0.00 C ATOM 358 OG1 THR A 25 -16.483 9.454 2.562 1.00 0.00 O ATOM 359 CG2 THR A 25 -18.761 9.061 2.258 1.00 0.00 C ATOM 0 H THR A 25 -15.638 8.512 4.564 1.00 0.00 H new ATOM 0 HA THR A 25 -17.977 10.135 4.567 1.00 0.00 H new ATOM 0 HB THR A 25 -17.413 7.573 3.041 1.00 0.00 H new ATOM 0 HG1 THR A 25 -16.342 9.232 1.618 1.00 0.00 H new ATOM 0 HG21 THR A 25 -18.631 8.725 1.229 1.00 0.00 H new ATOM 0 HG22 THR A 25 -19.655 8.602 2.680 1.00 0.00 H new ATOM 0 HG23 THR A 25 -18.868 10.146 2.275 1.00 0.00 H new ATOM 367 N LEU A 26 -18.338 7.101 5.715 1.00 0.00 N ATOM 368 CA LEU A 26 -19.238 6.249 6.473 1.00 0.00 C ATOM 369 C LEU A 26 -19.150 6.613 7.957 1.00 0.00 C ATOM 370 O LEU A 26 -19.735 5.936 8.801 1.00 0.00 O ATOM 371 CB LEU A 26 -18.951 4.774 6.184 1.00 0.00 C ATOM 372 CG LEU A 26 -18.671 4.420 4.721 1.00 0.00 C ATOM 373 CD1 LEU A 26 -18.631 2.904 4.523 1.00 0.00 C ATOM 374 CD2 LEU A 26 -19.681 5.093 3.791 1.00 0.00 C ATOM 0 H LEU A 26 -17.429 6.686 5.510 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.270 6.416 6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -18.093 4.467 6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -19.803 4.185 6.523 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.686 4.806 4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.431 2.679 3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -17.843 2.477 5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.591 2.474 4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.459 4.825 2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -20.687 4.760 4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -19.617 6.175 3.907 1.00 0.00 H new ATOM 385 N ASN A 27 -18.416 7.681 8.229 1.00 0.00 N ATOM 386 CA ASN A 27 -18.244 8.144 9.595 1.00 0.00 C ATOM 387 C ASN A 27 -17.857 6.961 10.484 1.00 0.00 C ATOM 388 O ASN A 27 -18.475 6.731 11.523 1.00 0.00 O ATOM 389 CB ASN A 27 -19.543 8.740 10.142 1.00 0.00 C ATOM 390 CG ASN A 27 -19.297 9.470 11.465 1.00 0.00 C ATOM 391 OD1 ASN A 27 -19.380 8.901 12.540 1.00 0.00 O ATOM 392 ND2 ASN A 27 -18.992 10.756 11.324 1.00 0.00 N ATOM 0 H ASN A 27 -17.933 8.240 7.526 1.00 0.00 H new ATOM 0 HA ASN A 27 -17.467 8.908 9.597 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -19.965 9.432 9.413 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -20.277 7.948 10.291 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -18.810 11.330 12.147 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -18.940 11.169 10.393 1.00 0.00 H new ATOM 398 N THR A 28 -16.836 6.240 10.043 1.00 0.00 N ATOM 399 CA THR A 28 -16.359 5.086 10.786 1.00 0.00 C ATOM 400 C THR A 28 -14.865 5.224 11.084 1.00 0.00 C ATOM 401 O THR A 28 -14.181 6.045 10.476 1.00 0.00 O ATOM 402 CB THR A 28 -16.705 3.830 9.983 1.00 0.00 C ATOM 403 OG1 THR A 28 -17.275 2.949 10.946 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.461 3.089 9.490 1.00 0.00 C ATOM 0 H THR A 28 -16.326 6.433 9.181 1.00 0.00 H new ATOM 0 HA THR A 28 -16.847 5.012 11.758 1.00 0.00 H new ATOM 0 HB THR A 28 -17.326 4.104 9.130 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.969 2.034 10.774 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.763 2.206 8.926 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.876 3.747 8.848 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.856 2.785 10.344 1.00 0.00 H new ATOM 412 N PRO A 29 -14.390 4.387 12.045 1.00 0.00 N ATOM 413 CA PRO A 29 -12.989 4.407 12.430 1.00 0.00 C ATOM 414 C PRO A 29 -12.118 3.737 11.367 1.00 0.00 C ATOM 415 O PRO A 29 -12.444 2.654 10.883 1.00 0.00 O ATOM 416 CB PRO A 29 -12.941 3.696 13.773 1.00 0.00 C ATOM 417 CG PRO A 29 -14.232 2.899 13.870 1.00 0.00 C ATOM 418 CD PRO A 29 -15.172 3.401 12.786 1.00 0.00 C ATOM 0 HA PRO A 29 -12.590 5.418 12.515 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -12.072 3.041 13.837 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.862 4.412 14.591 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -14.034 1.835 13.741 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.684 3.022 14.854 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.500 2.588 12.138 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -16.069 3.848 13.215 1.00 0.00 H new ATOM 423 N GLN A 30 -11.025 4.409 11.034 1.00 0.00 N ATOM 424 CA GLN A 30 -10.104 3.892 10.037 1.00 0.00 C ATOM 425 C GLN A 30 -9.904 2.387 10.227 1.00 0.00 C ATOM 426 O GLN A 30 -10.047 1.614 9.281 1.00 0.00 O ATOM 427 CB GLN A 30 -8.766 4.632 10.089 1.00 0.00 C ATOM 428 CG GLN A 30 -8.304 5.032 8.687 1.00 0.00 C ATOM 429 CD GLN A 30 -7.664 3.846 7.962 1.00 0.00 C ATOM 430 OE1 GLN A 30 -6.646 3.311 8.372 1.00 0.00 O ATOM 431 NE2 GLN A 30 -8.315 3.467 6.866 1.00 0.00 N ATOM 0 H GLN A 30 -10.757 5.307 11.437 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.537 4.060 9.051 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.863 5.522 10.711 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.013 3.997 10.556 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.153 5.400 8.111 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.587 5.851 8.756 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.161 3.959 6.580 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.968 2.684 6.312 1.00 0.00 H new ATOM 438 N PRO A 31 -9.570 2.006 11.489 1.00 0.00 N ATOM 439 CA PRO A 31 -9.351 0.607 11.816 1.00 0.00 C ATOM 440 C PRO A 31 -10.677 -0.150 11.902 1.00 0.00 C ATOM 441 O PRO A 31 -10.962 -0.799 12.908 1.00 0.00 O ATOM 442 CB PRO A 31 -8.592 0.626 13.132 1.00 0.00 C ATOM 443 CG PRO A 31 -8.819 2.006 13.727 1.00 0.00 C ATOM 444 CD PRO A 31 -9.394 2.894 12.635 1.00 0.00 C ATOM 0 HA PRO A 31 -8.782 0.080 11.050 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.955 -0.153 13.803 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.530 0.440 12.973 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.504 1.949 14.573 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.883 2.419 14.102 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.342 3.336 12.942 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.720 3.717 12.398 1.00 0.00 H new ATOM 449 N MET A 32 -11.453 -0.044 10.833 1.00 0.00 N ATOM 450 CA MET A 32 -12.742 -0.711 10.775 1.00 0.00 C ATOM 451 C MET A 32 -13.065 -1.157 9.347 1.00 0.00 C ATOM 452 O MET A 32 -13.495 -2.288 9.129 1.00 0.00 O ATOM 453 CB MET A 32 -13.833 0.241 11.271 1.00 0.00 C ATOM 454 CG MET A 32 -14.964 -0.531 11.955 1.00 0.00 C ATOM 455 SD MET A 32 -16.347 -0.703 10.840 1.00 0.00 S ATOM 456 CE MET A 32 -17.390 -1.783 11.804 1.00 0.00 C ATOM 0 H MET A 32 -11.213 0.494 10.000 1.00 0.00 H new ATOM 0 HA MET A 32 -12.701 -1.595 11.412 1.00 0.00 H new ATOM 0 HB2 MET A 32 -13.404 0.960 11.969 1.00 0.00 H new ATOM 0 HB3 MET A 32 -14.232 0.811 10.432 1.00 0.00 H new ATOM 0 HG2 MET A 32 -14.610 -1.515 12.263 1.00 0.00 H new ATOM 0 HG3 MET A 32 -15.278 -0.008 12.859 1.00 0.00 H new ATOM 0 HE1 MET A 32 -18.305 -1.994 11.251 1.00 0.00 H new ATOM 0 HE2 MET A 32 -16.863 -2.716 12.003 1.00 0.00 H new ATOM 0 HE3 MET A 32 -17.640 -1.300 12.748 1.00 0.00 H new ATOM 464 N ILE A 33 -12.847 -0.244 8.412 1.00 0.00 N ATOM 465 CA ILE A 33 -13.108 -0.528 7.011 1.00 0.00 C ATOM 466 C ILE A 33 -12.001 -1.432 6.463 1.00 0.00 C ATOM 467 O ILE A 33 -12.261 -2.305 5.638 1.00 0.00 O ATOM 468 CB ILE A 33 -13.287 0.772 6.225 1.00 0.00 C ATOM 469 CG1 ILE A 33 -14.445 1.598 6.787 1.00 0.00 C ATOM 470 CG2 ILE A 33 -13.456 0.490 4.730 1.00 0.00 C ATOM 471 CD1 ILE A 33 -15.761 0.821 6.709 1.00 0.00 C ATOM 0 H ILE A 33 -12.492 0.694 8.597 1.00 0.00 H new ATOM 0 HA ILE A 33 -14.047 -1.071 6.901 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.382 1.368 6.340 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -14.237 1.865 7.823 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.535 2.530 6.230 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -13.581 1.431 4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.572 -0.026 4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -14.335 -0.136 4.575 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -16.568 1.431 7.115 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -15.978 0.577 5.669 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -15.675 -0.099 7.287 1.00 0.00 H new ATOM 482 N ASN A 34 -10.791 -1.190 6.945 1.00 0.00 N ATOM 483 CA ASN A 34 -9.644 -1.970 6.514 1.00 0.00 C ATOM 484 C ASN A 34 -9.953 -3.459 6.682 1.00 0.00 C ATOM 485 O ASN A 34 -9.564 -4.275 5.848 1.00 0.00 O ATOM 486 CB ASN A 34 -8.409 -1.646 7.357 1.00 0.00 C ATOM 487 CG ASN A 34 -7.766 -0.333 6.905 1.00 0.00 C ATOM 488 OD1 ASN A 34 -7.391 -0.158 5.758 1.00 0.00 O ATOM 489 ND2 ASN A 34 -7.659 0.577 7.869 1.00 0.00 N ATOM 0 H ASN A 34 -10.580 -0.464 7.630 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.443 -1.726 5.471 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.690 -1.575 8.408 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.685 -2.457 7.275 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.242 1.486 7.668 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.993 0.366 8.809 1.00 0.00 H new ATOM 495 N ALA A 35 -10.651 -3.767 7.765 1.00 0.00 N ATOM 496 CA ALA A 35 -11.018 -5.143 8.053 1.00 0.00 C ATOM 497 C ALA A 35 -11.805 -5.714 6.871 1.00 0.00 C ATOM 498 O ALA A 35 -11.530 -6.822 6.415 1.00 0.00 O ATOM 499 CB ALA A 35 -11.809 -5.199 9.361 1.00 0.00 C ATOM 0 H ALA A 35 -10.972 -3.087 8.454 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.127 -5.758 8.185 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.084 -6.232 9.576 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.196 -4.810 10.174 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.712 -4.595 9.266 1.00 0.00 H new ATOM 505 N MET A 36 -12.770 -4.932 6.411 1.00 0.00 N ATOM 506 CA MET A 36 -13.600 -5.346 5.291 1.00 0.00 C ATOM 507 C MET A 36 -12.759 -5.537 4.028 1.00 0.00 C ATOM 508 O MET A 36 -12.824 -6.585 3.387 1.00 0.00 O ATOM 509 CB MET A 36 -14.675 -4.289 5.034 1.00 0.00 C ATOM 510 CG MET A 36 -15.326 -3.838 6.345 1.00 0.00 C ATOM 511 SD MET A 36 -17.078 -4.179 6.305 1.00 0.00 S ATOM 512 CE MET A 36 -17.201 -5.327 7.665 1.00 0.00 C ATOM 0 H MET A 36 -12.996 -4.014 6.793 1.00 0.00 H new ATOM 0 HA MET A 36 -14.068 -6.298 5.541 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.232 -3.430 4.529 1.00 0.00 H new ATOM 0 HB3 MET A 36 -15.436 -4.694 4.366 1.00 0.00 H new ATOM 0 HG2 MET A 36 -14.865 -4.356 7.186 1.00 0.00 H new ATOM 0 HG3 MET A 36 -15.158 -2.772 6.496 1.00 0.00 H new ATOM 0 HE1 MET A 36 -18.237 -5.644 7.781 1.00 0.00 H new ATOM 0 HE2 MET A 36 -16.576 -6.197 7.464 1.00 0.00 H new ATOM 0 HE3 MET A 36 -16.865 -4.842 8.582 1.00 0.00 H new ATOM 520 N LEU A 37 -11.990 -4.508 3.706 1.00 0.00 N ATOM 521 CA LEU A 37 -11.137 -4.548 2.530 1.00 0.00 C ATOM 522 C LEU A 37 -10.254 -5.797 2.589 1.00 0.00 C ATOM 523 O LEU A 37 -10.043 -6.462 1.576 1.00 0.00 O ATOM 524 CB LEU A 37 -10.351 -3.244 2.392 1.00 0.00 C ATOM 525 CG LEU A 37 -11.148 -2.027 1.920 1.00 0.00 C ATOM 526 CD1 LEU A 37 -10.524 -0.729 2.437 1.00 0.00 C ATOM 527 CD2 LEU A 37 -11.296 -2.025 0.397 1.00 0.00 C ATOM 0 H LEU A 37 -11.939 -3.640 4.240 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.739 -4.625 1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.904 -3.008 3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.531 -3.410 1.693 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.151 -2.092 2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.110 0.121 2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.514 -0.739 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.503 -0.643 2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.867 -1.149 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.309 -1.996 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.818 -2.928 0.081 1.00 0.00 H new ATOM 538 N GLN A 38 -9.760 -6.076 3.787 1.00 0.00 N ATOM 539 CA GLN A 38 -8.903 -7.231 3.992 1.00 0.00 C ATOM 540 C GLN A 38 -9.658 -8.518 3.651 1.00 0.00 C ATOM 541 O GLN A 38 -9.103 -9.420 3.025 1.00 0.00 O ATOM 542 CB GLN A 38 -8.370 -7.272 5.425 1.00 0.00 C ATOM 543 CG GLN A 38 -6.845 -7.402 5.440 1.00 0.00 C ATOM 544 CD GLN A 38 -6.401 -8.537 6.365 1.00 0.00 C ATOM 545 OE1 GLN A 38 -6.390 -9.701 6.000 1.00 0.00 O ATOM 546 NE2 GLN A 38 -6.036 -8.134 7.578 1.00 0.00 N ATOM 0 H GLN A 38 -9.937 -5.522 4.625 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.046 -7.146 3.324 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.666 -6.366 5.953 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.815 -8.112 5.958 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.482 -7.589 4.429 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.400 -6.464 5.770 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.069 -7.143 7.818 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.722 -8.816 8.269 1.00 0.00 H new ATOM 553 N GLN A 39 -10.911 -8.563 4.079 1.00 0.00 N ATOM 554 CA GLN A 39 -11.747 -9.724 3.828 1.00 0.00 C ATOM 555 C GLN A 39 -12.026 -9.863 2.330 1.00 0.00 C ATOM 556 O GLN A 39 -11.833 -10.934 1.756 1.00 0.00 O ATOM 557 CB GLN A 39 -13.052 -9.642 4.622 1.00 0.00 C ATOM 558 CG GLN A 39 -13.343 -10.965 5.337 1.00 0.00 C ATOM 559 CD GLN A 39 -14.403 -10.779 6.423 1.00 0.00 C ATOM 560 OE1 GLN A 39 -15.568 -10.536 6.155 1.00 0.00 O ATOM 561 NE2 GLN A 39 -13.936 -10.905 7.662 1.00 0.00 N ATOM 0 H GLN A 39 -11.368 -7.813 4.598 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.211 -10.612 4.163 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.987 -8.836 5.353 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.876 -9.398 3.951 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.684 -11.706 4.614 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.426 -11.352 5.781 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.949 -11.109 7.817 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.565 -10.798 8.458 1.00 0.00 H new ATOM 568 N LEU A 40 -12.474 -8.766 1.739 1.00 0.00 N ATOM 569 CA LEU A 40 -12.780 -8.751 0.319 1.00 0.00 C ATOM 570 C LEU A 40 -11.538 -9.167 -0.471 1.00 0.00 C ATOM 571 O LEU A 40 -11.623 -9.991 -1.381 1.00 0.00 O ATOM 572 CB LEU A 40 -13.345 -7.391 -0.094 1.00 0.00 C ATOM 573 CG LEU A 40 -14.704 -7.020 0.501 1.00 0.00 C ATOM 574 CD1 LEU A 40 -15.034 -5.549 0.239 1.00 0.00 C ATOM 575 CD2 LEU A 40 -15.801 -7.953 -0.015 1.00 0.00 C ATOM 0 H LEU A 40 -12.633 -7.880 2.218 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.561 -9.476 0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.626 -6.621 0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.428 -7.369 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.651 -7.151 1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -16.005 -5.311 0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -14.270 -4.918 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -15.062 -5.368 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.757 -7.668 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -15.862 -7.877 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.566 -8.980 0.264 1.00 0.00 H new ATOM 586 N GLU A 41 -10.412 -8.580 -0.094 1.00 0.00 N ATOM 587 CA GLU A 41 -9.153 -8.879 -0.756 1.00 0.00 C ATOM 588 C GLU A 41 -8.863 -10.379 -0.689 1.00 0.00 C ATOM 589 O GLU A 41 -8.568 -11.004 -1.706 1.00 0.00 O ATOM 590 CB GLU A 41 -8.008 -8.070 -0.145 1.00 0.00 C ATOM 591 CG GLU A 41 -6.686 -8.366 -0.859 1.00 0.00 C ATOM 592 CD GLU A 41 -5.583 -8.700 0.146 1.00 0.00 C ATOM 593 OE1 GLU A 41 -5.671 -9.718 0.848 1.00 0.00 O ATOM 594 OE2 GLU A 41 -4.606 -7.858 0.183 1.00 0.00 O ATOM 0 H GLU A 41 -10.345 -7.898 0.662 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.237 -8.592 -1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.233 -7.006 -0.214 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.915 -8.308 0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.820 -9.200 -1.548 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.390 -7.503 -1.456 1.00 0.00 H new ATOM 600 N SER A 42 -8.955 -10.915 0.520 1.00 0.00 N ATOM 601 CA SER A 42 -8.705 -12.330 0.732 1.00 0.00 C ATOM 602 C SER A 42 -9.591 -13.163 -0.196 1.00 0.00 C ATOM 603 O SER A 42 -9.119 -14.106 -0.829 1.00 0.00 O ATOM 604 CB SER A 42 -8.952 -12.719 2.192 1.00 0.00 C ATOM 605 OG SER A 42 -8.329 -13.956 2.527 1.00 0.00 O ATOM 0 H SER A 42 -9.199 -10.394 1.362 1.00 0.00 H new ATOM 0 HA SER A 42 -7.659 -12.531 0.502 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.573 -11.933 2.846 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.025 -12.793 2.371 1.00 0.00 H new ATOM 0 HG SER A 42 -8.508 -14.169 3.467 1.00 0.00 H new ATOM 610 N MET A 43 -10.860 -12.784 -0.248 1.00 0.00 N ATOM 611 CA MET A 43 -11.816 -13.485 -1.089 1.00 0.00 C ATOM 612 C MET A 43 -11.535 -13.228 -2.571 1.00 0.00 C ATOM 613 O MET A 43 -11.530 -14.157 -3.376 1.00 0.00 O ATOM 614 CB MET A 43 -13.233 -13.017 -0.749 1.00 0.00 C ATOM 615 CG MET A 43 -13.675 -13.553 0.615 1.00 0.00 C ATOM 616 SD MET A 43 -15.398 -14.012 0.560 1.00 0.00 S ATOM 617 CE MET A 43 -15.248 -15.790 0.613 1.00 0.00 C ATOM 0 H MET A 43 -11.248 -12.001 0.278 1.00 0.00 H new ATOM 0 HA MET A 43 -11.722 -14.555 -0.901 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.269 -11.928 -0.745 1.00 0.00 H new ATOM 0 HB3 MET A 43 -13.926 -13.356 -1.519 1.00 0.00 H new ATOM 0 HG2 MET A 43 -13.069 -14.416 0.890 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.516 -12.795 1.382 1.00 0.00 H new ATOM 0 HE1 MET A 43 -16.240 -16.240 0.586 1.00 0.00 H new ATOM 0 HE2 MET A 43 -14.671 -16.132 -0.246 1.00 0.00 H new ATOM 0 HE3 MET A 43 -14.741 -16.085 1.531 1.00 0.00 H new ATOM 625 N GLY A 44 -11.306 -11.961 -2.886 1.00 0.00 N ATOM 626 CA GLY A 44 -11.025 -11.570 -4.256 1.00 0.00 C ATOM 627 C GLY A 44 -12.230 -10.866 -4.884 1.00 0.00 C ATOM 628 O GLY A 44 -12.618 -11.176 -6.009 1.00 0.00 O ATOM 0 H GLY A 44 -11.310 -11.193 -2.215 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.160 -10.907 -4.279 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.767 -12.451 -4.844 1.00 0.00 H new ATOM 632 N LYS A 45 -12.786 -9.930 -4.130 1.00 0.00 N ATOM 633 CA LYS A 45 -13.939 -9.179 -4.597 1.00 0.00 C ATOM 634 C LYS A 45 -13.489 -7.785 -5.041 1.00 0.00 C ATOM 635 O LYS A 45 -13.914 -7.296 -6.087 1.00 0.00 O ATOM 636 CB LYS A 45 -15.036 -9.160 -3.530 1.00 0.00 C ATOM 637 CG LYS A 45 -15.056 -10.471 -2.741 1.00 0.00 C ATOM 638 CD LYS A 45 -15.550 -11.628 -3.614 1.00 0.00 C ATOM 639 CE LYS A 45 -16.634 -12.431 -2.894 1.00 0.00 C ATOM 640 NZ LYS A 45 -17.935 -12.284 -3.586 1.00 0.00 N ATOM 0 H LYS A 45 -12.459 -9.674 -3.198 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.382 -9.664 -5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.872 -8.324 -2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.005 -9.001 -4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.055 -10.692 -2.370 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.703 -10.366 -1.870 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.944 -11.238 -4.553 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.715 -12.281 -3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.352 -13.483 -2.858 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.723 -12.089 -1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.660 -12.836 -3.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.210 -11.281 -3.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.850 -12.632 -4.562 1.00 0.00 H new ATOM 649 N ALA A 46 -12.634 -7.187 -4.225 1.00 0.00 N ATOM 650 CA ALA A 46 -12.122 -5.860 -4.520 1.00 0.00 C ATOM 651 C ALA A 46 -10.744 -5.984 -5.175 1.00 0.00 C ATOM 652 O ALA A 46 -10.180 -7.075 -5.239 1.00 0.00 O ATOM 653 CB ALA A 46 -12.084 -5.030 -3.236 1.00 0.00 C ATOM 0 H ALA A 46 -12.283 -7.597 -3.360 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.776 -5.344 -5.222 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.700 -4.034 -3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.091 -4.948 -2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.434 -5.516 -2.508 1.00 0.00 H new ATOM 659 N VAL A 47 -10.243 -4.850 -5.643 1.00 0.00 N ATOM 660 CA VAL A 47 -8.943 -4.819 -6.290 1.00 0.00 C ATOM 661 C VAL A 47 -8.074 -3.746 -5.628 1.00 0.00 C ATOM 662 O VAL A 47 -8.592 -2.823 -5.002 1.00 0.00 O ATOM 663 CB VAL A 47 -9.112 -4.605 -7.795 1.00 0.00 C ATOM 664 CG1 VAL A 47 -9.864 -5.773 -8.434 1.00 0.00 C ATOM 665 CG2 VAL A 47 -9.815 -3.276 -8.085 1.00 0.00 C ATOM 0 H VAL A 47 -10.714 -3.947 -5.587 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.432 -5.774 -6.166 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.118 -4.563 -8.240 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.970 -5.595 -9.504 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.307 -6.696 -8.273 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.851 -5.861 -7.981 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.922 -3.149 -9.162 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.801 -3.277 -7.620 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.223 -2.455 -7.680 1.00 0.00 H new ATOM 675 N ARG A 48 -6.768 -3.906 -5.789 1.00 0.00 N ATOM 676 CA ARG A 48 -5.824 -2.964 -5.214 1.00 0.00 C ATOM 677 C ARG A 48 -5.527 -1.838 -6.207 1.00 0.00 C ATOM 678 O ARG A 48 -5.376 -2.084 -7.402 1.00 0.00 O ATOM 679 CB ARG A 48 -4.515 -3.658 -4.834 1.00 0.00 C ATOM 680 CG ARG A 48 -3.714 -2.814 -3.841 1.00 0.00 C ATOM 681 CD ARG A 48 -4.233 -3.007 -2.414 1.00 0.00 C ATOM 682 NE ARG A 48 -3.097 -3.166 -1.480 1.00 0.00 N ATOM 683 CZ ARG A 48 -2.480 -4.341 -1.231 1.00 0.00 C ATOM 684 NH1 ARG A 48 -2.887 -5.472 -1.848 1.00 0.00 N ATOM 685 NH2 ARG A 48 -1.475 -4.369 -0.376 1.00 0.00 N ATOM 0 H ARG A 48 -6.342 -4.673 -6.309 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.276 -2.549 -4.313 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.730 -4.633 -4.397 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.920 -3.834 -5.730 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.661 -3.091 -3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.780 -1.761 -4.117 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.839 -2.150 -2.120 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.878 -3.885 -2.368 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.758 -2.336 -0.993 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.665 -5.442 -2.507 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.416 -6.356 -1.655 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.175 -3.511 0.086 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.999 -5.249 -0.177 1.00 0.00 H new ATOM 695 N ILE A 49 -5.451 -0.627 -5.674 1.00 0.00 N ATOM 696 CA ILE A 49 -5.174 0.538 -6.498 1.00 0.00 C ATOM 697 C ILE A 49 -3.871 1.189 -6.032 1.00 0.00 C ATOM 698 O ILE A 49 -3.548 1.161 -4.846 1.00 0.00 O ATOM 699 CB ILE A 49 -6.372 1.490 -6.500 1.00 0.00 C ATOM 700 CG1 ILE A 49 -7.633 0.784 -7.001 1.00 0.00 C ATOM 701 CG2 ILE A 49 -6.066 2.755 -7.303 1.00 0.00 C ATOM 702 CD1 ILE A 49 -7.705 0.808 -8.530 1.00 0.00 C ATOM 0 H ILE A 49 -5.576 -0.427 -4.682 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.029 0.244 -7.537 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.563 1.800 -5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.640 -0.248 -6.649 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.516 1.269 -6.584 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.934 3.414 -7.288 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.212 3.269 -6.861 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.833 2.485 -8.333 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.611 0.299 -8.860 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.722 1.841 -8.877 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.833 0.301 -8.943 1.00 0.00 H new ATOM 713 N GLN A 50 -3.157 1.762 -6.990 1.00 0.00 N ATOM 714 CA GLN A 50 -1.896 2.419 -6.692 1.00 0.00 C ATOM 715 C GLN A 50 -2.031 3.933 -6.874 1.00 0.00 C ATOM 716 O GLN A 50 -2.830 4.395 -7.687 1.00 0.00 O ATOM 717 CB GLN A 50 -0.768 1.861 -7.563 1.00 0.00 C ATOM 718 CG GLN A 50 0.526 2.651 -7.355 1.00 0.00 C ATOM 719 CD GLN A 50 1.751 1.793 -7.681 1.00 0.00 C ATOM 720 OE1 GLN A 50 1.648 0.636 -8.055 1.00 0.00 O ATOM 721 NE2 GLN A 50 2.911 2.423 -7.521 1.00 0.00 N ATOM 0 H GLN A 50 -3.428 1.785 -7.973 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.641 2.218 -5.651 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.601 0.812 -7.320 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.059 1.903 -8.613 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.520 3.538 -7.988 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.584 2.996 -6.323 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.925 3.393 -7.205 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.786 1.937 -7.715 1.00 0.00 H new ATOM 728 N GLU A 51 -1.238 4.661 -6.102 1.00 0.00 N ATOM 729 CA GLU A 51 -1.259 6.113 -6.168 1.00 0.00 C ATOM 730 C GLU A 51 -0.188 6.616 -7.136 1.00 0.00 C ATOM 731 O GLU A 51 0.647 5.842 -7.601 1.00 0.00 O ATOM 732 CB GLU A 51 -1.076 6.728 -4.779 1.00 0.00 C ATOM 733 CG GLU A 51 -2.199 7.717 -4.462 1.00 0.00 C ATOM 734 CD GLU A 51 -1.655 9.140 -4.328 1.00 0.00 C ATOM 735 OE1 GLU A 51 -1.248 9.547 -3.230 1.00 0.00 O ATOM 736 OE2 GLU A 51 -1.662 9.831 -5.417 1.00 0.00 O ATOM 0 H GLU A 51 -0.577 4.274 -5.428 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.234 6.426 -6.542 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.060 5.938 -4.028 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.114 7.237 -4.727 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.951 7.684 -5.251 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.695 7.425 -3.536 1.00 0.00 H new ATOM 975 N ARG A 72 0.875 4.936 -0.854 1.00 0.00 N ATOM 976 CA ARG A 72 -0.405 4.692 -0.213 1.00 0.00 C ATOM 977 C ARG A 72 -1.352 3.971 -1.174 1.00 0.00 C ATOM 978 O ARG A 72 -2.076 4.611 -1.934 1.00 0.00 O ATOM 979 CB ARG A 72 -1.051 6.002 0.241 1.00 0.00 C ATOM 980 CG ARG A 72 -0.873 6.209 1.747 1.00 0.00 C ATOM 981 CD ARG A 72 -2.225 6.390 2.440 1.00 0.00 C ATOM 982 NE ARG A 72 -2.041 7.083 3.735 1.00 0.00 N ATOM 983 CZ ARG A 72 -3.048 7.628 4.452 1.00 0.00 C ATOM 984 NH1 ARG A 72 -4.319 7.565 4.003 1.00 0.00 N ATOM 985 NH2 ARG A 72 -2.769 8.224 5.596 1.00 0.00 N ATOM 0 HA ARG A 72 -0.224 4.066 0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.606 6.837 -0.299 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.113 5.992 -0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.352 5.353 2.176 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.249 7.084 1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.896 6.966 1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.693 5.419 2.601 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.095 7.153 4.109 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.525 7.104 3.117 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.074 7.979 4.550 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.805 8.268 5.926 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.517 8.641 6.150 1.00 0.00 H new ATOM 995 N GLU A 73 -1.315 2.648 -1.110 1.00 0.00 N ATOM 996 CA GLU A 73 -2.161 1.834 -1.964 1.00 0.00 C ATOM 997 C GLU A 73 -3.636 2.146 -1.706 1.00 0.00 C ATOM 998 O GLU A 73 -4.058 2.256 -0.556 1.00 0.00 O ATOM 999 CB GLU A 73 -1.872 0.344 -1.762 1.00 0.00 C ATOM 1000 CG GLU A 73 -0.430 0.008 -2.148 1.00 0.00 C ATOM 1001 CD GLU A 73 0.166 -1.028 -1.193 1.00 0.00 C ATOM 1002 OE1 GLU A 73 -0.566 -1.875 -0.662 1.00 0.00 O ATOM 1003 OE2 GLU A 73 1.439 -0.931 -1.009 1.00 0.00 O ATOM 0 H GLU A 73 -0.712 2.120 -0.479 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.936 2.077 -3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.046 0.074 -0.720 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.561 -0.249 -2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.403 -0.375 -3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.175 0.914 -2.131 1.00 0.00 H new ATOM 1009 N TRP A 74 -4.379 2.280 -2.794 1.00 0.00 N ATOM 1010 CA TRP A 74 -5.798 2.579 -2.699 1.00 0.00 C ATOM 1011 C TRP A 74 -6.569 1.273 -2.899 1.00 0.00 C ATOM 1012 O TRP A 74 -5.982 0.246 -3.240 1.00 0.00 O ATOM 1013 CB TRP A 74 -6.197 3.667 -3.697 1.00 0.00 C ATOM 1014 CG TRP A 74 -5.817 5.083 -3.260 1.00 0.00 C ATOM 1015 CD1 TRP A 74 -5.417 5.492 -2.048 1.00 0.00 C ATOM 1016 CD2 TRP A 74 -5.816 6.266 -4.085 1.00 0.00 C ATOM 1017 NE1 TRP A 74 -5.160 6.847 -2.031 1.00 0.00 N ATOM 1018 CE2 TRP A 74 -5.409 7.333 -3.309 1.00 0.00 C ATOM 1019 CE3 TRP A 74 -6.146 6.431 -5.441 1.00 0.00 C ATOM 1020 CZ2 TRP A 74 -5.297 8.639 -3.801 1.00 0.00 C ATOM 1021 CZ3 TRP A 74 -6.029 7.741 -5.918 1.00 0.00 C ATOM 1022 CH2 TRP A 74 -5.621 8.827 -5.150 1.00 0.00 C ATOM 0 H TRP A 74 -4.025 2.187 -3.746 1.00 0.00 H new ATOM 0 HA TRP A 74 -6.043 2.982 -1.716 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.726 3.455 -4.657 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.275 3.623 -3.854 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.309 4.842 -1.192 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -4.845 7.392 -1.228 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -6.465 5.610 -6.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.978 9.458 -3.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.272 7.922 -6.955 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.555 9.810 -5.592 1.00 0.00 H new ATOM 1032 N TRP A 75 -7.874 1.353 -2.678 1.00 0.00 N ATOM 1033 CA TRP A 75 -8.731 0.190 -2.828 1.00 0.00 C ATOM 1034 C TRP A 75 -9.849 0.550 -3.809 1.00 0.00 C ATOM 1035 O TRP A 75 -10.280 1.701 -3.868 1.00 0.00 O ATOM 1036 CB TRP A 75 -9.257 -0.284 -1.472 1.00 0.00 C ATOM 1037 CG TRP A 75 -8.172 -0.822 -0.537 1.00 0.00 C ATOM 1038 CD1 TRP A 75 -7.503 -0.160 0.418 1.00 0.00 C ATOM 1039 CD2 TRP A 75 -7.654 -2.168 -0.505 1.00 0.00 C ATOM 1040 NE1 TRP A 75 -6.595 -0.978 1.058 1.00 0.00 N ATOM 1041 CE2 TRP A 75 -6.690 -2.238 0.480 1.00 0.00 C ATOM 1042 CE3 TRP A 75 -7.988 -3.290 -1.284 1.00 0.00 C ATOM 1043 CZ2 TRP A 75 -5.982 -3.408 0.778 1.00 0.00 C ATOM 1044 CZ3 TRP A 75 -7.271 -4.452 -0.974 1.00 0.00 C ATOM 1045 CH2 TRP A 75 -6.298 -4.538 0.015 1.00 0.00 C ATOM 0 H TRP A 75 -8.358 2.206 -2.396 1.00 0.00 H new ATOM 0 HA TRP A 75 -8.169 -0.652 -3.232 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -9.766 0.545 -0.981 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -10.001 -1.064 -1.635 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -7.656 0.882 0.656 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -5.969 -0.707 1.816 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -8.738 -3.258 -2.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -5.232 -3.437 1.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -7.489 -5.344 -1.543 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.788 -5.473 0.194 1.00 0.00 H new ATOM 1055 N ALA A 76 -10.285 -0.454 -4.555 1.00 0.00 N ATOM 1056 CA ALA A 76 -11.344 -0.257 -5.531 1.00 0.00 C ATOM 1057 C ALA A 76 -12.081 -1.579 -5.751 1.00 0.00 C ATOM 1058 O ALA A 76 -11.724 -2.598 -5.161 1.00 0.00 O ATOM 1059 CB ALA A 76 -10.747 0.301 -6.826 1.00 0.00 C ATOM 0 H ALA A 76 -9.924 -1.407 -4.504 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.071 0.469 -5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.541 0.449 -7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.260 1.254 -6.621 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.015 -0.403 -7.222 1.00 0.00 H new ATOM 1065 N LEU A 77 -13.094 -1.521 -6.602 1.00 0.00 N ATOM 1066 CA LEU A 77 -13.884 -2.700 -6.908 1.00 0.00 C ATOM 1067 C LEU A 77 -13.386 -3.319 -8.215 1.00 0.00 C ATOM 1068 O LEU A 77 -12.749 -2.643 -9.022 1.00 0.00 O ATOM 1069 CB LEU A 77 -15.376 -2.358 -6.920 1.00 0.00 C ATOM 1070 CG LEU A 77 -15.836 -1.328 -5.886 1.00 0.00 C ATOM 1071 CD1 LEU A 77 -17.309 -0.965 -6.092 1.00 0.00 C ATOM 1072 CD2 LEU A 77 -15.559 -1.816 -4.464 1.00 0.00 C ATOM 0 H LEU A 77 -13.386 -0.674 -7.090 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.759 -3.453 -6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.636 -1.989 -7.912 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.941 -3.277 -6.764 1.00 0.00 H new ATOM 0 HG LEU A 77 -15.256 -0.416 -6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.611 -0.231 -5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -17.444 -0.544 -7.088 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -17.922 -1.860 -5.990 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.896 -1.065 -3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.094 -2.749 -4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.489 -1.982 -4.338 1.00 0.00 H new ATOM 1083 N ARG A 78 -13.692 -4.598 -8.382 1.00 0.00 N ATOM 1084 CA ARG A 78 -13.282 -5.315 -9.578 1.00 0.00 C ATOM 1085 C ARG A 78 -13.985 -4.740 -10.808 1.00 0.00 C ATOM 1086 O ARG A 78 -13.344 -4.462 -11.820 1.00 0.00 O ATOM 1087 CB ARG A 78 -13.606 -6.806 -9.462 1.00 0.00 C ATOM 1088 CG ARG A 78 -13.041 -7.583 -10.653 1.00 0.00 C ATOM 1089 CD ARG A 78 -11.515 -7.674 -10.574 1.00 0.00 C ATOM 1090 NE ARG A 78 -11.008 -8.577 -11.631 1.00 0.00 N ATOM 1091 CZ ARG A 78 -9.732 -9.015 -11.704 1.00 0.00 C ATOM 1092 NH1 ARG A 78 -8.824 -8.634 -10.781 1.00 0.00 N ATOM 1093 NH2 ARG A 78 -9.388 -9.819 -12.691 1.00 0.00 N ATOM 0 H ARG A 78 -14.219 -5.156 -7.710 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.204 -5.196 -9.685 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -13.191 -7.201 -8.535 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -14.686 -6.945 -9.412 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.468 -8.586 -10.673 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.332 -7.093 -11.582 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.077 -6.683 -10.690 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.214 -8.043 -9.593 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.662 -8.888 -12.349 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.099 -8.011 -10.022 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.863 -8.969 -10.843 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.081 -10.101 -13.384 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.429 -10.159 -12.761 1.00 0.00 H new