USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=6 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 :FLIP amide:sc= 0 X(o=-0.039,f=-0.035) USER MOD Set 1.2: A 34 ASN :FLIP amide:sc= -0.0345 F(o=-1.2,f=-0.035) USER MOD Single : A 6 GLN : amide:sc= -0.448 X(o=-0.45,f=-0.0034) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 23 SER OG : rot -54:sc= 1.03 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= -0.738 X(o=-0.74,f=-0.88) USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.18) 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 K(o=0,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 4 -21.375 -2.990 4.728 1.00 0.00 N ATOM 37 CA LEU A 4 -20.383 -3.067 3.670 1.00 0.00 C ATOM 38 C LEU A 4 -20.914 -2.356 2.424 1.00 0.00 C ATOM 39 O LEU A 4 -20.153 -1.721 1.696 1.00 0.00 O ATOM 40 CB LEU A 4 -19.978 -4.522 3.422 1.00 0.00 C ATOM 41 CG LEU A 4 -18.567 -4.911 3.866 1.00 0.00 C ATOM 42 CD1 LEU A 4 -18.413 -6.432 3.934 1.00 0.00 C ATOM 43 CD2 LEU A 4 -17.511 -4.268 2.965 1.00 0.00 C ATOM 0 HA LEU A 4 -19.470 -2.551 3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -20.690 -5.169 3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -20.071 -4.727 2.356 1.00 0.00 H new ATOM 0 HG LEU A 4 -18.408 -4.526 4.873 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -17.401 -6.681 4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -19.128 -6.839 4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -18.600 -6.861 2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -16.517 -4.561 3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -17.658 -4.601 1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -17.605 -3.183 3.012 1.00 0.00 H new ATOM 54 N ILE A 5 -22.217 -2.485 2.218 1.00 0.00 N ATOM 55 CA ILE A 5 -22.859 -1.862 1.074 1.00 0.00 C ATOM 56 C ILE A 5 -22.403 -0.404 0.970 1.00 0.00 C ATOM 57 O ILE A 5 -22.180 0.104 -0.128 1.00 0.00 O ATOM 58 CB ILE A 5 -24.377 -2.027 1.155 1.00 0.00 C ATOM 59 CG1 ILE A 5 -24.752 -3.460 1.539 1.00 0.00 C ATOM 60 CG2 ILE A 5 -25.047 -1.589 -0.149 1.00 0.00 C ATOM 61 CD1 ILE A 5 -23.851 -4.472 0.829 1.00 0.00 C ATOM 0 H ILE A 5 -22.845 -3.012 2.825 1.00 0.00 H new ATOM 0 HA ILE A 5 -22.557 -2.358 0.151 1.00 0.00 H new ATOM 0 HB ILE A 5 -24.750 -1.373 1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -24.666 -3.585 2.618 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -25.793 -3.649 1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -26.126 -1.717 -0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -24.820 -0.540 -0.341 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -24.673 -2.198 -0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -24.139 -5.482 1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -23.958 -4.360 -0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -22.813 -4.295 1.111 1.00 0.00 H new ATOM 72 N GLN A 6 -22.280 0.227 2.129 1.00 0.00 N ATOM 73 CA GLN A 6 -21.857 1.617 2.182 1.00 0.00 C ATOM 74 C GLN A 6 -20.487 1.779 1.519 1.00 0.00 C ATOM 75 O GLN A 6 -20.310 2.636 0.654 1.00 0.00 O ATOM 76 CB GLN A 6 -21.832 2.127 3.624 1.00 0.00 C ATOM 77 CG GLN A 6 -23.139 2.843 3.974 1.00 0.00 C ATOM 78 CD GLN A 6 -22.885 4.009 4.932 1.00 0.00 C ATOM 79 OE1 GLN A 6 -23.346 4.029 6.061 1.00 0.00 O ATOM 80 NE2 GLN A 6 -22.128 4.974 4.420 1.00 0.00 N ATOM 0 H GLN A 6 -22.466 -0.198 3.038 1.00 0.00 H new ATOM 0 HA GLN A 6 -22.580 2.219 1.631 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -21.677 1.292 4.307 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -20.992 2.809 3.758 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -23.611 3.212 3.063 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -23.834 2.138 4.430 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -21.775 4.893 3.467 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -21.900 5.795 4.980 1.00 0.00 H new ATOM 87 N VAL A 7 -19.554 0.944 1.952 1.00 0.00 N ATOM 88 CA VAL A 7 -18.206 0.985 1.411 1.00 0.00 C ATOM 89 C VAL A 7 -18.230 0.520 -0.047 1.00 0.00 C ATOM 90 O VAL A 7 -17.657 1.170 -0.919 1.00 0.00 O ATOM 91 CB VAL A 7 -17.265 0.155 2.287 1.00 0.00 C ATOM 92 CG1 VAL A 7 -15.831 0.206 1.755 1.00 0.00 C ATOM 93 CG2 VAL A 7 -17.325 0.615 3.745 1.00 0.00 C ATOM 0 H VAL A 7 -19.705 0.236 2.670 1.00 0.00 H new ATOM 0 HA VAL A 7 -17.823 2.005 1.420 1.00 0.00 H new ATOM 0 HB VAL A 7 -17.600 -0.882 2.248 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.184 -0.392 2.396 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.805 -0.192 0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.482 1.239 1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.647 0.009 4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -17.029 1.662 3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -18.342 0.502 4.121 1.00 0.00 H new ATOM 103 N ARG A 8 -18.900 -0.602 -0.265 1.00 0.00 N ATOM 104 CA ARG A 8 -19.008 -1.162 -1.601 1.00 0.00 C ATOM 105 C ARG A 8 -19.566 -0.118 -2.570 1.00 0.00 C ATOM 106 O ARG A 8 -19.057 0.040 -3.679 1.00 0.00 O ATOM 107 CB ARG A 8 -19.914 -2.394 -1.612 1.00 0.00 C ATOM 108 CG ARG A 8 -19.197 -3.608 -1.016 1.00 0.00 C ATOM 109 CD ARG A 8 -19.800 -4.912 -1.540 1.00 0.00 C ATOM 110 NE ARG A 8 -19.894 -5.902 -0.444 1.00 0.00 N ATOM 111 CZ ARG A 8 -20.454 -7.124 -0.572 1.00 0.00 C ATOM 112 NH1 ARG A 8 -20.977 -7.517 -1.754 1.00 0.00 N ATOM 113 NH2 ARG A 8 -20.485 -7.928 0.474 1.00 0.00 N ATOM 0 H ARG A 8 -19.374 -1.139 0.462 1.00 0.00 H new ATOM 0 HA ARG A 8 -18.008 -1.459 -1.917 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -20.821 -2.188 -1.044 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -20.221 -2.615 -2.634 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -18.137 -3.567 -1.265 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -19.270 -3.580 0.071 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -20.789 -4.723 -1.957 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -19.184 -5.308 -2.348 1.00 0.00 H new ATOM 0 HE ARG A 8 -19.511 -5.645 0.466 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -20.950 -6.889 -2.557 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -21.398 -8.442 -1.843 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -20.089 -7.623 1.363 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -20.905 -8.854 0.393 1.00 0.00 H new ATOM 123 N ASP A 9 -20.606 0.567 -2.117 1.00 0.00 N ATOM 124 CA ASP A 9 -21.239 1.591 -2.930 1.00 0.00 C ATOM 125 C ASP A 9 -20.253 2.738 -3.158 1.00 0.00 C ATOM 126 O ASP A 9 -20.033 3.156 -4.295 1.00 0.00 O ATOM 127 CB ASP A 9 -22.475 2.162 -2.232 1.00 0.00 C ATOM 128 CG ASP A 9 -23.460 2.887 -3.151 1.00 0.00 C ATOM 129 OD1 ASP A 9 -23.475 2.668 -4.371 1.00 0.00 O ATOM 130 OD2 ASP A 9 -24.247 3.720 -2.559 1.00 0.00 O ATOM 0 H ASP A 9 -21.026 0.433 -1.197 1.00 0.00 H new ATOM 0 HA ASP A 9 -21.536 1.135 -3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -23.000 1.348 -1.732 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -22.148 2.854 -1.456 1.00 0.00 H new ATOM 135 N LEU A 10 -19.686 3.215 -2.060 1.00 0.00 N ATOM 136 CA LEU A 10 -18.727 4.305 -2.126 1.00 0.00 C ATOM 137 C LEU A 10 -17.573 3.909 -3.048 1.00 0.00 C ATOM 138 O LEU A 10 -17.124 4.710 -3.868 1.00 0.00 O ATOM 139 CB LEU A 10 -18.280 4.711 -0.720 1.00 0.00 C ATOM 140 CG LEU A 10 -19.097 5.818 -0.049 1.00 0.00 C ATOM 141 CD1 LEU A 10 -18.925 7.149 -0.783 1.00 0.00 C ATOM 142 CD2 LEU A 10 -20.569 5.415 0.070 1.00 0.00 C ATOM 0 H LEU A 10 -19.872 2.867 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 10 -19.189 5.193 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -18.309 3.828 -0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.240 5.034 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.717 5.958 0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.516 7.918 -0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.874 7.437 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -19.263 7.042 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -21.128 6.218 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -20.978 5.232 -0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -20.651 4.508 0.669 1.00 0.00 H new ATOM 153 N LEU A 11 -17.124 2.673 -2.885 1.00 0.00 N ATOM 154 CA LEU A 11 -16.030 2.161 -3.692 1.00 0.00 C ATOM 155 C LEU A 11 -16.393 2.286 -5.173 1.00 0.00 C ATOM 156 O LEU A 11 -15.519 2.490 -6.015 1.00 0.00 O ATOM 157 CB LEU A 11 -15.671 0.736 -3.266 1.00 0.00 C ATOM 158 CG LEU A 11 -14.526 0.605 -2.259 1.00 0.00 C ATOM 159 CD1 LEU A 11 -14.453 -0.814 -1.693 1.00 0.00 C ATOM 160 CD2 LEU A 11 -13.198 1.043 -2.878 1.00 0.00 C ATOM 0 H LEU A 11 -17.498 2.011 -2.205 1.00 0.00 H new ATOM 0 HA LEU A 11 -15.129 2.754 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -16.559 0.271 -2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.411 0.166 -4.158 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.729 1.275 -1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.631 -0.880 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -15.390 -1.054 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.286 -1.522 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.402 0.940 -2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.976 0.418 -3.743 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.269 2.084 -3.192 1.00 0.00 H new ATOM 171 N ALA A 12 -17.683 2.161 -5.446 1.00 0.00 N ATOM 172 CA ALA A 12 -18.172 2.258 -6.811 1.00 0.00 C ATOM 173 C ALA A 12 -18.427 3.727 -7.154 1.00 0.00 C ATOM 174 O ALA A 12 -17.886 4.244 -8.130 1.00 0.00 O ATOM 175 CB ALA A 12 -19.427 1.397 -6.967 1.00 0.00 C ATOM 0 H ALA A 12 -18.405 1.993 -4.745 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.428 1.880 -7.512 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.793 1.470 -7.991 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -19.186 0.358 -6.741 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.197 1.748 -6.280 1.00 0.00 H new ATOM 181 N LEU A 13 -19.251 4.359 -6.331 1.00 0.00 N ATOM 182 CA LEU A 13 -19.584 5.759 -6.533 1.00 0.00 C ATOM 183 C LEU A 13 -18.295 6.577 -6.628 1.00 0.00 C ATOM 184 O LEU A 13 -18.044 7.232 -7.638 1.00 0.00 O ATOM 185 CB LEU A 13 -20.542 6.245 -5.445 1.00 0.00 C ATOM 186 CG LEU A 13 -21.866 5.486 -5.328 1.00 0.00 C ATOM 187 CD1 LEU A 13 -22.808 6.175 -4.339 1.00 0.00 C ATOM 188 CD2 LEU A 13 -22.514 5.300 -6.702 1.00 0.00 C ATOM 0 H LEU A 13 -19.698 3.927 -5.522 1.00 0.00 H new ATOM 0 HA LEU A 13 -20.116 5.891 -7.475 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -20.028 6.189 -4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -20.764 7.296 -5.627 1.00 0.00 H new ATOM 0 HG LEU A 13 -21.656 4.492 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -23.741 5.615 -4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -22.339 6.213 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -23.016 7.189 -4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -23.453 4.758 -6.591 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -22.709 6.276 -7.148 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -21.842 4.734 -7.347 1.00 0.00 H new ATOM 199 N ARG A 14 -17.511 6.513 -5.562 1.00 0.00 N ATOM 200 CA ARG A 14 -16.254 7.239 -5.512 1.00 0.00 C ATOM 201 C ARG A 14 -15.156 6.452 -6.229 1.00 0.00 C ATOM 202 O ARG A 14 -13.998 6.865 -6.244 1.00 0.00 O ATOM 203 CB ARG A 14 -15.824 7.497 -4.065 1.00 0.00 C ATOM 204 CG ARG A 14 -17.039 7.725 -3.164 1.00 0.00 C ATOM 205 CD ARG A 14 -17.991 8.754 -3.777 1.00 0.00 C ATOM 206 NE ARG A 14 -17.546 10.122 -3.432 1.00 0.00 N ATOM 207 CZ ARG A 14 -18.010 11.242 -4.029 1.00 0.00 C ATOM 208 NH1 ARG A 14 -18.939 11.164 -5.004 1.00 0.00 N ATOM 209 NH2 ARG A 14 -17.542 12.414 -3.641 1.00 0.00 N ATOM 0 H ARG A 14 -17.722 5.969 -4.726 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.405 8.196 -6.012 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -15.248 6.648 -3.696 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -15.170 8.368 -4.026 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -17.565 6.783 -3.012 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -16.710 8.068 -2.183 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -18.021 8.634 -4.860 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -19.004 8.589 -3.410 1.00 0.00 H new ATOM 0 HE ARG A 14 -16.845 10.226 -2.698 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -19.297 10.255 -5.296 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -19.284 12.015 -5.449 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -16.841 12.464 -2.901 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -17.881 13.270 -4.081 1.00 0.00 H new ATOM 219 N GLY A 15 -15.559 5.330 -6.808 1.00 0.00 N ATOM 220 CA GLY A 15 -14.625 4.481 -7.527 1.00 0.00 C ATOM 221 C GLY A 15 -13.443 4.090 -6.637 1.00 0.00 C ATOM 222 O GLY A 15 -13.615 3.840 -5.445 1.00 0.00 O ATOM 0 H GLY A 15 -16.520 4.989 -6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.137 3.583 -7.873 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.261 5.002 -8.412 1.00 0.00 H new ATOM 226 N ARG A 16 -12.270 4.051 -7.250 1.00 0.00 N ATOM 227 CA ARG A 16 -11.060 3.696 -6.529 1.00 0.00 C ATOM 228 C ARG A 16 -10.684 4.804 -5.543 1.00 0.00 C ATOM 229 O ARG A 16 -10.457 5.945 -5.944 1.00 0.00 O ATOM 230 CB ARG A 16 -9.893 3.462 -7.490 1.00 0.00 C ATOM 231 CG ARG A 16 -9.728 4.642 -8.450 1.00 0.00 C ATOM 232 CD ARG A 16 -8.254 5.019 -8.608 1.00 0.00 C ATOM 233 NE ARG A 16 -7.928 5.200 -10.041 1.00 0.00 N ATOM 234 CZ ARG A 16 -8.379 6.224 -10.795 1.00 0.00 C ATOM 235 NH1 ARG A 16 -9.180 7.170 -10.258 1.00 0.00 N ATOM 236 NH2 ARG A 16 -8.025 6.288 -12.066 1.00 0.00 N ATOM 0 H ARG A 16 -12.131 4.260 -8.239 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.259 2.772 -5.985 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.973 3.319 -6.923 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.063 2.547 -8.058 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.148 4.385 -9.423 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.288 5.499 -8.077 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.044 5.938 -8.060 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.623 4.241 -8.179 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.325 4.508 -10.486 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.448 7.113 -9.276 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.517 7.941 -10.835 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.419 5.570 -12.464 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.357 7.056 -12.650 1.00 0.00 H new ATOM 246 N MET A 17 -10.631 4.431 -4.273 1.00 0.00 N ATOM 247 CA MET A 17 -10.288 5.379 -3.228 1.00 0.00 C ATOM 248 C MET A 17 -9.642 4.670 -2.035 1.00 0.00 C ATOM 249 O MET A 17 -9.550 3.443 -2.012 1.00 0.00 O ATOM 250 CB MET A 17 -11.550 6.109 -2.765 1.00 0.00 C ATOM 251 CG MET A 17 -12.154 6.933 -3.905 1.00 0.00 C ATOM 252 SD MET A 17 -11.013 8.209 -4.408 1.00 0.00 S ATOM 253 CE MET A 17 -11.429 9.481 -3.226 1.00 0.00 C ATOM 0 H MET A 17 -10.820 3.484 -3.944 1.00 0.00 H new ATOM 0 HA MET A 17 -9.572 6.094 -3.634 1.00 0.00 H new ATOM 0 HB2 MET A 17 -12.282 5.386 -2.406 1.00 0.00 H new ATOM 0 HB3 MET A 17 -11.310 6.762 -1.926 1.00 0.00 H new ATOM 0 HG2 MET A 17 -12.383 6.285 -4.751 1.00 0.00 H new ATOM 0 HG3 MET A 17 -13.094 7.381 -3.582 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.804 10.357 -3.399 1.00 0.00 H new ATOM 0 HE2 MET A 17 -12.478 9.755 -3.340 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.259 9.109 -2.216 1.00 0.00 H new ATOM 261 N GLU A 18 -9.212 5.472 -1.073 1.00 0.00 N ATOM 262 CA GLU A 18 -8.578 4.937 0.120 1.00 0.00 C ATOM 263 C GLU A 18 -9.620 4.703 1.216 1.00 0.00 C ATOM 264 O GLU A 18 -10.719 5.253 1.160 1.00 0.00 O ATOM 265 CB GLU A 18 -7.465 5.865 0.612 1.00 0.00 C ATOM 266 CG GLU A 18 -6.583 5.162 1.647 1.00 0.00 C ATOM 267 CD GLU A 18 -6.023 3.852 1.091 1.00 0.00 C ATOM 268 OE1 GLU A 18 -6.733 2.837 1.062 1.00 0.00 O ATOM 269 OE2 GLU A 18 -4.803 3.913 0.679 1.00 0.00 O ATOM 0 H GLU A 18 -9.290 6.489 -1.095 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.123 3.979 -0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.855 6.187 -0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.902 6.762 1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.762 5.818 1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.163 4.960 2.548 1.00 0.00 H new ATOM 275 N ALA A 19 -9.238 3.886 2.186 1.00 0.00 N ATOM 276 CA ALA A 19 -10.126 3.572 3.293 1.00 0.00 C ATOM 277 C ALA A 19 -10.382 4.839 4.112 1.00 0.00 C ATOM 278 O ALA A 19 -11.516 5.113 4.500 1.00 0.00 O ATOM 279 CB ALA A 19 -9.518 2.448 4.133 1.00 0.00 C ATOM 0 H ALA A 19 -8.326 3.432 2.229 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.089 3.218 2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.184 2.213 4.963 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.384 1.562 3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.551 2.767 4.523 1.00 0.00 H new ATOM 285 N ALA A 20 -9.308 5.577 4.349 1.00 0.00 N ATOM 286 CA ALA A 20 -9.401 6.809 5.115 1.00 0.00 C ATOM 287 C ALA A 20 -10.622 7.604 4.648 1.00 0.00 C ATOM 288 O ALA A 20 -11.336 8.188 5.461 1.00 0.00 O ATOM 289 CB ALA A 20 -8.100 7.600 4.970 1.00 0.00 C ATOM 0 H ALA A 20 -8.369 5.346 4.024 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.534 6.593 6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.170 8.524 5.544 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.268 7.003 5.343 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.934 7.838 3.919 1.00 0.00 H new ATOM 295 N GLN A 21 -10.824 7.601 3.338 1.00 0.00 N ATOM 296 CA GLN A 21 -11.946 8.314 2.753 1.00 0.00 C ATOM 297 C GLN A 21 -13.253 7.568 3.030 1.00 0.00 C ATOM 298 O GLN A 21 -14.213 8.154 3.527 1.00 0.00 O ATOM 299 CB GLN A 21 -11.741 8.520 1.250 1.00 0.00 C ATOM 300 CG GLN A 21 -11.141 9.898 0.962 1.00 0.00 C ATOM 301 CD GLN A 21 -12.213 10.870 0.466 1.00 0.00 C ATOM 302 OE1 GLN A 21 -12.091 11.488 -0.579 1.00 0.00 O ATOM 303 NE2 GLN A 21 -13.267 10.970 1.270 1.00 0.00 N ATOM 0 H GLN A 21 -10.229 7.116 2.666 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.007 9.298 3.217 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.083 7.744 0.859 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.695 8.419 0.732 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.677 10.293 1.866 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.354 9.807 0.214 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -13.306 10.424 2.131 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.037 11.593 1.026 1.00 0.00 H new ATOM 310 N ILE A 22 -13.248 6.286 2.697 1.00 0.00 N ATOM 311 CA ILE A 22 -14.420 5.454 2.904 1.00 0.00 C ATOM 312 C ILE A 22 -14.856 5.549 4.367 1.00 0.00 C ATOM 313 O ILE A 22 -16.045 5.667 4.659 1.00 0.00 O ATOM 314 CB ILE A 22 -14.151 4.022 2.434 1.00 0.00 C ATOM 315 CG1 ILE A 22 -13.805 3.990 0.944 1.00 0.00 C ATOM 316 CG2 ILE A 22 -15.329 3.105 2.770 1.00 0.00 C ATOM 317 CD1 ILE A 22 -12.875 2.819 0.622 1.00 0.00 C ATOM 0 H ILE A 22 -12.450 5.803 2.285 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.253 5.812 2.299 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.283 3.642 2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.719 3.905 0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.328 4.927 0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -15.113 2.094 2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.486 3.095 3.849 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.228 3.472 2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.645 2.820 -0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.952 2.920 1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.365 1.882 0.887 1.00 0.00 H new ATOM 328 N SER A 23 -13.869 5.494 5.250 1.00 0.00 N ATOM 329 CA SER A 23 -14.135 5.573 6.677 1.00 0.00 C ATOM 330 C SER A 23 -14.826 6.897 7.007 1.00 0.00 C ATOM 331 O SER A 23 -15.784 6.925 7.779 1.00 0.00 O ATOM 332 CB SER A 23 -12.845 5.430 7.486 1.00 0.00 C ATOM 333 OG SER A 23 -12.132 6.661 7.577 1.00 0.00 O ATOM 0 H SER A 23 -12.884 5.396 5.005 1.00 0.00 H new ATOM 0 HA SER A 23 -14.795 4.749 6.949 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.083 5.074 8.488 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.209 4.676 7.023 1.00 0.00 H new ATOM 0 HG SER A 23 -11.979 7.018 6.677 1.00 0.00 H new ATOM 338 N GLN A 24 -14.314 7.962 6.407 1.00 0.00 N ATOM 339 CA GLN A 24 -14.869 9.285 6.628 1.00 0.00 C ATOM 340 C GLN A 24 -16.330 9.330 6.177 1.00 0.00 C ATOM 341 O GLN A 24 -17.185 9.872 6.877 1.00 0.00 O ATOM 342 CB GLN A 24 -14.042 10.354 5.912 1.00 0.00 C ATOM 343 CG GLN A 24 -13.196 11.151 6.909 1.00 0.00 C ATOM 344 CD GLN A 24 -13.197 12.640 6.560 1.00 0.00 C ATOM 345 OE1 GLN A 24 -13.815 13.459 7.222 1.00 0.00 O ATOM 346 NE2 GLN A 24 -12.473 12.946 5.487 1.00 0.00 N ATOM 0 H GLN A 24 -13.520 7.934 5.767 1.00 0.00 H new ATOM 0 HA GLN A 24 -14.832 9.499 7.696 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.393 9.883 5.174 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -14.704 11.029 5.370 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -13.586 11.010 7.917 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.173 10.774 6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.980 12.212 4.978 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -12.411 13.914 5.173 1.00 0.00 H new ATOM 353 N THR A 25 -16.574 8.753 5.009 1.00 0.00 N ATOM 354 CA THR A 25 -17.916 8.720 4.456 1.00 0.00 C ATOM 355 C THR A 25 -18.921 8.274 5.520 1.00 0.00 C ATOM 356 O THR A 25 -19.985 8.875 5.665 1.00 0.00 O ATOM 357 CB THR A 25 -17.898 7.816 3.222 1.00 0.00 C ATOM 358 OG1 THR A 25 -17.283 8.615 2.215 1.00 0.00 O ATOM 359 CG2 THR A 25 -19.300 7.541 2.676 1.00 0.00 C ATOM 0 H THR A 25 -15.864 8.304 4.431 1.00 0.00 H new ATOM 0 HA THR A 25 -18.239 9.713 4.144 1.00 0.00 H new ATOM 0 HB THR A 25 -17.415 6.871 3.472 1.00 0.00 H new ATOM 0 HG1 THR A 25 -17.229 8.105 1.380 1.00 0.00 H new ATOM 0 HG21 THR A 25 -19.229 6.895 1.801 1.00 0.00 H new ATOM 0 HG22 THR A 25 -19.899 7.050 3.443 1.00 0.00 H new ATOM 0 HG23 THR A 25 -19.772 8.482 2.395 1.00 0.00 H new ATOM 367 N LEU A 26 -18.548 7.224 6.238 1.00 0.00 N ATOM 368 CA LEU A 26 -19.403 6.692 7.285 1.00 0.00 C ATOM 369 C LEU A 26 -18.806 7.037 8.650 1.00 0.00 C ATOM 370 O LEU A 26 -19.086 6.365 9.643 1.00 0.00 O ATOM 371 CB LEU A 26 -19.636 5.194 7.076 1.00 0.00 C ATOM 372 CG LEU A 26 -18.545 4.447 6.308 1.00 0.00 C ATOM 373 CD1 LEU A 26 -18.498 2.973 6.717 1.00 0.00 C ATOM 374 CD2 LEU A 26 -18.721 4.618 4.799 1.00 0.00 C ATOM 0 H LEU A 26 -17.665 6.728 6.115 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.389 7.154 7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.751 4.725 8.053 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.580 5.064 6.546 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.582 4.885 6.571 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -17.714 2.465 6.156 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.288 2.898 7.784 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.459 2.505 6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.932 4.077 4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.692 4.223 4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -18.665 5.676 4.544 1.00 0.00 H new ATOM 385 N ASN A 27 -17.993 8.083 8.658 1.00 0.00 N ATOM 386 CA ASN A 27 -17.352 8.525 9.885 1.00 0.00 C ATOM 387 C ASN A 27 -16.955 7.303 10.717 1.00 0.00 C ATOM 388 O ASN A 27 -16.958 7.357 11.946 1.00 0.00 O ATOM 389 CB ASN A 27 -18.304 9.379 10.725 1.00 0.00 C ATOM 390 CG ASN A 27 -17.583 9.970 11.940 1.00 0.00 C ATOM 391 OD1 ASN A 27 -16.498 10.520 11.842 1.00 0.00 O ATOM 392 ND2 ASN A 27 -18.244 9.826 13.084 1.00 0.00 N ATOM 0 H ASN A 27 -17.763 8.638 7.834 1.00 0.00 H new ATOM 0 HA ASN A 27 -16.478 9.117 9.615 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -18.713 10.183 10.113 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -19.146 8.772 11.057 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -17.847 10.187 13.951 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -19.149 9.355 13.094 1.00 0.00 H new ATOM 398 N THR A 28 -16.623 6.231 10.013 1.00 0.00 N ATOM 399 CA THR A 28 -16.225 4.998 10.671 1.00 0.00 C ATOM 400 C THR A 28 -14.764 5.081 11.119 1.00 0.00 C ATOM 401 O THR A 28 -14.014 5.936 10.651 1.00 0.00 O ATOM 402 CB THR A 28 -16.501 3.839 9.712 1.00 0.00 C ATOM 403 OG1 THR A 28 -17.190 2.883 10.511 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.222 3.116 9.284 1.00 0.00 C ATOM 0 H THR A 28 -16.621 6.191 8.994 1.00 0.00 H new ATOM 0 HA THR A 28 -16.803 4.831 11.580 1.00 0.00 H new ATOM 0 HB THR A 28 -17.018 4.214 8.829 1.00 0.00 H new ATOM 0 HG1 THR A 28 -17.409 2.098 9.966 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.474 2.302 8.604 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.559 3.818 8.779 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.721 2.712 10.164 1.00 0.00 H new ATOM 412 N PRO A 29 -14.394 4.157 12.046 1.00 0.00 N ATOM 413 CA PRO A 29 -13.036 4.117 12.562 1.00 0.00 C ATOM 414 C PRO A 29 -12.075 3.520 11.533 1.00 0.00 C ATOM 415 O PRO A 29 -12.373 2.498 10.919 1.00 0.00 O ATOM 416 CB PRO A 29 -13.125 3.296 13.839 1.00 0.00 C ATOM 417 CG PRO A 29 -14.428 2.519 13.745 1.00 0.00 C ATOM 418 CD PRO A 29 -15.254 3.128 12.624 1.00 0.00 C ATOM 0 HA PRO A 29 -12.635 5.109 12.769 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -12.274 2.621 13.930 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.117 3.940 14.719 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -14.231 1.466 13.545 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.971 2.568 14.689 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.528 2.378 11.882 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -16.182 3.555 13.003 1.00 0.00 H new ATOM 423 N GLN A 30 -10.941 4.187 11.375 1.00 0.00 N ATOM 424 CA GLN A 30 -9.933 3.735 10.430 1.00 0.00 C ATOM 425 C GLN A 30 -9.782 2.214 10.501 1.00 0.00 C ATOM 426 O GLN A 30 -9.856 1.531 9.480 1.00 0.00 O ATOM 427 CB GLN A 30 -8.594 4.431 10.681 1.00 0.00 C ATOM 428 CG GLN A 30 -8.006 4.976 9.379 1.00 0.00 C ATOM 429 CD GLN A 30 -7.401 3.850 8.536 1.00 0.00 C ATOM 430 OE1 GLN A 30 -8.017 3.652 7.375 1.00 0.00 O flip ATOM 431 NE2 GLN A 30 -6.439 3.205 8.918 1.00 0.00 N flip ATOM 0 H GLN A 30 -10.698 5.036 11.885 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.261 4.001 9.425 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.732 5.246 11.391 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.894 3.728 11.134 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.784 5.484 8.809 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.240 5.718 9.604 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.014 3.410 9.822 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.060 2.460 8.333 1.00 0.00 H new ATOM 438 N PRO A 31 -9.569 1.715 11.748 1.00 0.00 N ATOM 439 CA PRO A 31 -9.407 0.288 11.966 1.00 0.00 C ATOM 440 C PRO A 31 -10.751 -0.437 11.868 1.00 0.00 C ATOM 441 O PRO A 31 -11.123 -1.186 12.770 1.00 0.00 O ATOM 442 CB PRO A 31 -8.767 0.169 13.338 1.00 0.00 C ATOM 443 CG PRO A 31 -9.018 1.498 14.033 1.00 0.00 C ATOM 444 CD PRO A 31 -9.476 2.494 12.979 1.00 0.00 C ATOM 0 HA PRO A 31 -8.782 -0.185 11.208 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.204 -0.655 13.902 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.699 -0.032 13.254 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.776 1.387 14.808 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.110 1.850 14.523 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.438 2.935 13.242 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.767 3.315 12.875 1.00 0.00 H new ATOM 449 N MET A 32 -11.442 -0.190 10.766 1.00 0.00 N ATOM 450 CA MET A 32 -12.736 -0.810 10.537 1.00 0.00 C ATOM 451 C MET A 32 -12.919 -1.172 9.062 1.00 0.00 C ATOM 452 O MET A 32 -13.369 -2.272 8.741 1.00 0.00 O ATOM 453 CB MET A 32 -13.846 0.152 10.968 1.00 0.00 C ATOM 454 CG MET A 32 -15.092 -0.614 11.417 1.00 0.00 C ATOM 455 SD MET A 32 -14.770 -1.453 12.959 1.00 0.00 S ATOM 456 CE MET A 32 -15.481 -3.050 12.597 1.00 0.00 C ATOM 0 H MET A 32 -11.130 0.432 10.020 1.00 0.00 H new ATOM 0 HA MET A 32 -12.787 -1.726 11.125 1.00 0.00 H new ATOM 0 HB2 MET A 32 -13.489 0.783 11.782 1.00 0.00 H new ATOM 0 HB3 MET A 32 -14.100 0.814 10.140 1.00 0.00 H new ATOM 0 HG2 MET A 32 -15.929 0.074 11.536 1.00 0.00 H new ATOM 0 HG3 MET A 32 -15.380 -1.337 10.653 1.00 0.00 H new ATOM 0 HE1 MET A 32 -15.366 -3.704 13.461 1.00 0.00 H new ATOM 0 HE2 MET A 32 -16.541 -2.933 12.369 1.00 0.00 H new ATOM 0 HE3 MET A 32 -14.972 -3.489 11.739 1.00 0.00 H new ATOM 464 N ILE A 33 -12.560 -0.230 8.205 1.00 0.00 N ATOM 465 CA ILE A 33 -12.678 -0.436 6.772 1.00 0.00 C ATOM 466 C ILE A 33 -11.535 -1.335 6.295 1.00 0.00 C ATOM 467 O ILE A 33 -11.696 -2.095 5.341 1.00 0.00 O ATOM 468 CB ILE A 33 -12.753 0.906 6.041 1.00 0.00 C ATOM 469 CG1 ILE A 33 -14.046 1.647 6.383 1.00 0.00 C ATOM 470 CG2 ILE A 33 -12.581 0.719 4.532 1.00 0.00 C ATOM 471 CD1 ILE A 33 -15.266 0.749 6.163 1.00 0.00 C ATOM 0 H ILE A 33 -12.186 0.680 8.475 1.00 0.00 H new ATOM 0 HA ILE A 33 -13.609 -0.952 6.536 1.00 0.00 H new ATOM 0 HB ILE A 33 -11.926 1.528 6.385 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -14.016 1.978 7.421 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.132 2.541 5.765 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -12.638 1.688 4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.611 0.265 4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -13.371 0.070 4.153 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -16.173 1.299 6.413 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -15.306 0.439 5.119 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -15.189 -0.132 6.800 1.00 0.00 H new ATOM 482 N ASN A 34 -10.408 -1.217 6.979 1.00 0.00 N ATOM 483 CA ASN A 34 -9.238 -2.009 6.637 1.00 0.00 C ATOM 484 C ASN A 34 -9.569 -3.494 6.795 1.00 0.00 C ATOM 485 O ASN A 34 -9.217 -4.307 5.942 1.00 0.00 O ATOM 486 CB ASN A 34 -8.063 -1.685 7.562 1.00 0.00 C ATOM 487 CG ASN A 34 -7.485 -0.303 7.251 1.00 0.00 C ATOM 488 OD1 ASN A 34 -7.601 0.569 8.248 1.00 0.00 O flip ATOM 489 ND2 ASN A 34 -6.966 -0.048 6.177 1.00 0.00 N flip ATOM 0 H ASN A 34 -10.279 -0.585 7.769 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.962 -1.775 5.609 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.393 -1.720 8.600 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.287 -2.442 7.448 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.910 -0.766 5.454 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.588 0.883 6.002 1.00 0.00 H new ATOM 495 N ALA A 35 -10.243 -3.804 7.893 1.00 0.00 N ATOM 496 CA ALA A 35 -10.626 -5.177 8.175 1.00 0.00 C ATOM 497 C ALA A 35 -11.536 -5.687 7.056 1.00 0.00 C ATOM 498 O ALA A 35 -11.360 -6.802 6.567 1.00 0.00 O ATOM 499 CB ALA A 35 -11.294 -5.250 9.549 1.00 0.00 C ATOM 0 H ALA A 35 -10.534 -3.127 8.598 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.748 -5.822 8.206 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.581 -6.280 9.760 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.596 -4.904 10.312 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.182 -4.617 9.556 1.00 0.00 H new ATOM 505 N MET A 36 -12.491 -4.847 6.683 1.00 0.00 N ATOM 506 CA MET A 36 -13.429 -5.200 5.632 1.00 0.00 C ATOM 507 C MET A 36 -12.709 -5.392 4.296 1.00 0.00 C ATOM 508 O MET A 36 -12.869 -6.422 3.644 1.00 0.00 O ATOM 509 CB MET A 36 -14.478 -4.093 5.491 1.00 0.00 C ATOM 510 CG MET A 36 -14.992 -3.648 6.861 1.00 0.00 C ATOM 511 SD MET A 36 -16.751 -3.933 6.975 1.00 0.00 S ATOM 512 CE MET A 36 -17.328 -2.250 7.111 1.00 0.00 C ATOM 0 H MET A 36 -12.635 -3.923 7.090 1.00 0.00 H new ATOM 0 HA MET A 36 -13.911 -6.139 5.902 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.045 -3.241 4.967 1.00 0.00 H new ATOM 0 HB3 MET A 36 -15.310 -4.451 4.885 1.00 0.00 H new ATOM 0 HG2 MET A 36 -14.475 -4.196 7.648 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.776 -2.591 7.014 1.00 0.00 H new ATOM 0 HE1 MET A 36 -18.415 -2.243 7.192 1.00 0.00 H new ATOM 0 HE2 MET A 36 -16.896 -1.788 7.998 1.00 0.00 H new ATOM 0 HE3 MET A 36 -17.026 -1.689 6.226 1.00 0.00 H new ATOM 520 N LEU A 37 -11.930 -4.386 3.929 1.00 0.00 N ATOM 521 CA LEU A 37 -11.184 -4.431 2.683 1.00 0.00 C ATOM 522 C LEU A 37 -10.347 -5.712 2.641 1.00 0.00 C ATOM 523 O LEU A 37 -10.215 -6.338 1.591 1.00 0.00 O ATOM 524 CB LEU A 37 -10.361 -3.154 2.503 1.00 0.00 C ATOM 525 CG LEU A 37 -11.154 -1.888 2.172 1.00 0.00 C ATOM 526 CD1 LEU A 37 -10.361 -0.633 2.544 1.00 0.00 C ATOM 527 CD2 LEU A 37 -11.586 -1.879 0.705 1.00 0.00 C ATOM 0 H LEU A 37 -11.799 -3.533 4.473 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.866 -4.465 1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.797 -2.977 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.634 -3.322 1.708 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.062 -1.886 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.946 0.253 2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.146 -0.642 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.425 -0.615 1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.148 -0.968 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.704 -1.915 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.215 -2.747 0.506 1.00 0.00 H new ATOM 538 N GLN A 38 -9.804 -6.064 3.798 1.00 0.00 N ATOM 539 CA GLN A 38 -8.984 -7.258 3.906 1.00 0.00 C ATOM 540 C GLN A 38 -9.787 -8.493 3.493 1.00 0.00 C ATOM 541 O GLN A 38 -9.245 -9.417 2.888 1.00 0.00 O ATOM 542 CB GLN A 38 -8.429 -7.415 5.324 1.00 0.00 C ATOM 543 CG GLN A 38 -6.925 -7.690 5.296 1.00 0.00 C ATOM 544 CD GLN A 38 -6.480 -8.439 6.553 1.00 0.00 C ATOM 545 OE1 GLN A 38 -6.302 -9.646 6.558 1.00 0.00 O ATOM 546 NE2 GLN A 38 -6.313 -7.659 7.618 1.00 0.00 N ATOM 0 H GLN A 38 -9.916 -5.543 4.668 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.137 -7.156 3.228 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.626 -6.510 5.898 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.942 -8.232 5.831 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.676 -8.276 4.412 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.381 -6.749 5.218 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.479 -6.655 7.546 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.019 -8.065 8.506 1.00 0.00 H new ATOM 553 N GLN A 39 -11.067 -8.469 3.834 1.00 0.00 N ATOM 554 CA GLN A 39 -11.950 -9.575 3.506 1.00 0.00 C ATOM 555 C GLN A 39 -12.189 -9.632 1.995 1.00 0.00 C ATOM 556 O GLN A 39 -12.051 -10.689 1.381 1.00 0.00 O ATOM 557 CB GLN A 39 -13.273 -9.465 4.266 1.00 0.00 C ATOM 558 CG GLN A 39 -13.681 -10.817 4.856 1.00 0.00 C ATOM 559 CD GLN A 39 -14.559 -11.600 3.877 1.00 0.00 C ATOM 560 OE1 GLN A 39 -15.554 -11.109 3.368 1.00 0.00 O ATOM 561 NE2 GLN A 39 -14.137 -12.838 3.644 1.00 0.00 N ATOM 0 H GLN A 39 -11.514 -7.701 4.334 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.468 -10.503 3.814 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.177 -8.730 5.065 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -14.053 -9.107 3.595 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.790 -11.397 5.095 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.221 -10.662 5.790 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.295 -13.185 4.104 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.655 -13.441 3.005 1.00 0.00 H new ATOM 568 N LEU A 40 -12.545 -8.482 1.440 1.00 0.00 N ATOM 569 CA LEU A 40 -12.804 -8.388 0.014 1.00 0.00 C ATOM 570 C LEU A 40 -11.548 -8.797 -0.757 1.00 0.00 C ATOM 571 O LEU A 40 -11.633 -9.497 -1.764 1.00 0.00 O ATOM 572 CB LEU A 40 -13.321 -6.994 -0.346 1.00 0.00 C ATOM 573 CG LEU A 40 -14.589 -6.540 0.380 1.00 0.00 C ATOM 574 CD1 LEU A 40 -14.832 -5.044 0.175 1.00 0.00 C ATOM 575 CD2 LEU A 40 -15.794 -7.381 -0.045 1.00 0.00 C ATOM 0 H LEU A 40 -12.660 -7.608 1.953 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.595 -9.080 -0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.531 -6.271 -0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.510 -6.964 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.447 -6.699 1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -15.739 -4.747 0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.985 -4.481 0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.945 -4.836 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.682 -7.038 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -15.950 -7.277 -1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.610 -8.428 0.195 1.00 0.00 H new ATOM 586 N GLU A 41 -10.409 -8.341 -0.254 1.00 0.00 N ATOM 587 CA GLU A 41 -9.136 -8.650 -0.883 1.00 0.00 C ATOM 588 C GLU A 41 -8.879 -10.158 -0.847 1.00 0.00 C ATOM 589 O GLU A 41 -8.592 -10.766 -1.878 1.00 0.00 O ATOM 590 CB GLU A 41 -7.994 -7.883 -0.214 1.00 0.00 C ATOM 591 CG GLU A 41 -6.661 -8.169 -0.908 1.00 0.00 C ATOM 592 CD GLU A 41 -5.589 -8.572 0.107 1.00 0.00 C ATOM 593 OE1 GLU A 41 -5.659 -8.167 1.276 1.00 0.00 O ATOM 594 OE2 GLU A 41 -4.658 -9.336 -0.357 1.00 0.00 O ATOM 0 H GLU A 41 -10.342 -7.760 0.582 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.181 -8.333 -1.925 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.202 -6.814 -0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.929 -8.165 0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.792 -8.966 -1.640 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.335 -7.284 -1.455 1.00 0.00 H new ATOM 600 N SER A 42 -8.992 -10.718 0.348 1.00 0.00 N ATOM 601 CA SER A 42 -8.775 -12.143 0.531 1.00 0.00 C ATOM 602 C SER A 42 -9.666 -12.935 -0.429 1.00 0.00 C ATOM 603 O SER A 42 -9.185 -13.809 -1.149 1.00 0.00 O ATOM 604 CB SER A 42 -9.050 -12.561 1.976 1.00 0.00 C ATOM 605 OG SER A 42 -8.531 -13.856 2.265 1.00 0.00 O ATOM 0 H SER A 42 -9.231 -10.210 1.200 1.00 0.00 H new ATOM 0 HA SER A 42 -7.730 -12.361 0.311 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.606 -11.833 2.655 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.125 -12.552 2.158 1.00 0.00 H new ATOM 0 HG SER A 42 -8.725 -14.086 3.198 1.00 0.00 H new ATOM 610 N MET A 43 -10.948 -12.601 -0.408 1.00 0.00 N ATOM 611 CA MET A 43 -11.909 -13.270 -1.268 1.00 0.00 C ATOM 612 C MET A 43 -11.581 -13.038 -2.744 1.00 0.00 C ATOM 613 O MET A 43 -11.548 -13.981 -3.532 1.00 0.00 O ATOM 614 CB MET A 43 -13.314 -12.743 -0.968 1.00 0.00 C ATOM 615 CG MET A 43 -13.848 -13.320 0.345 1.00 0.00 C ATOM 616 SD MET A 43 -15.585 -13.697 0.184 1.00 0.00 S ATOM 617 CE MET A 43 -15.515 -15.481 0.162 1.00 0.00 C ATOM 0 H MET A 43 -11.343 -11.876 0.191 1.00 0.00 H new ATOM 0 HA MET A 43 -11.862 -14.341 -1.070 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.293 -11.655 -0.909 1.00 0.00 H new ATOM 0 HB3 MET A 43 -13.987 -13.005 -1.785 1.00 0.00 H new ATOM 0 HG2 MET A 43 -13.295 -14.222 0.607 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.696 -12.606 1.154 1.00 0.00 H new ATOM 0 HE1 MET A 43 -16.523 -15.884 0.066 1.00 0.00 H new ATOM 0 HE2 MET A 43 -14.910 -15.811 -0.683 1.00 0.00 H new ATOM 0 HE3 MET A 43 -15.069 -15.839 1.090 1.00 0.00 H new ATOM 625 N GLY A 44 -11.344 -11.776 -3.073 1.00 0.00 N ATOM 626 CA GLY A 44 -11.019 -11.409 -4.440 1.00 0.00 C ATOM 627 C GLY A 44 -12.166 -10.631 -5.087 1.00 0.00 C ATOM 628 O GLY A 44 -12.548 -10.911 -6.223 1.00 0.00 O ATOM 0 H GLY A 44 -11.371 -10.996 -2.416 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.112 -10.804 -4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.811 -12.307 -5.022 1.00 0.00 H new ATOM 632 N LYS A 45 -12.686 -9.672 -4.336 1.00 0.00 N ATOM 633 CA LYS A 45 -13.783 -8.852 -4.822 1.00 0.00 C ATOM 634 C LYS A 45 -13.234 -7.509 -5.309 1.00 0.00 C ATOM 635 O LYS A 45 -13.489 -7.104 -6.443 1.00 0.00 O ATOM 636 CB LYS A 45 -14.868 -8.721 -3.752 1.00 0.00 C ATOM 637 CG LYS A 45 -14.989 -10.007 -2.933 1.00 0.00 C ATOM 638 CD LYS A 45 -15.535 -11.153 -3.787 1.00 0.00 C ATOM 639 CE LYS A 45 -16.444 -12.067 -2.962 1.00 0.00 C ATOM 640 NZ LYS A 45 -16.883 -13.227 -3.770 1.00 0.00 N ATOM 0 H LYS A 45 -12.368 -9.444 -3.394 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.265 -9.328 -5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.634 -7.886 -3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.824 -8.495 -4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.013 -10.280 -2.533 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.647 -9.839 -2.081 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.091 -10.748 -4.632 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.707 -11.732 -4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.913 -12.414 -2.075 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.313 -11.508 -2.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.499 -13.837 -3.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.408 -12.891 -4.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.051 -13.769 -4.080 1.00 0.00 H new ATOM 649 N ALA A 46 -12.490 -6.856 -4.428 1.00 0.00 N ATOM 650 CA ALA A 46 -11.904 -5.567 -4.754 1.00 0.00 C ATOM 651 C ALA A 46 -10.464 -5.773 -5.228 1.00 0.00 C ATOM 652 O ALA A 46 -9.925 -6.875 -5.130 1.00 0.00 O ATOM 653 CB ALA A 46 -11.990 -4.644 -3.537 1.00 0.00 C ATOM 0 H ALA A 46 -12.280 -7.195 -3.489 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.454 -5.089 -5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.550 -3.677 -3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.035 -4.507 -3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.446 -5.089 -2.704 1.00 0.00 H new ATOM 659 N VAL A 47 -9.881 -4.695 -5.733 1.00 0.00 N ATOM 660 CA VAL A 47 -8.514 -4.743 -6.223 1.00 0.00 C ATOM 661 C VAL A 47 -7.711 -3.603 -5.593 1.00 0.00 C ATOM 662 O VAL A 47 -8.270 -2.565 -5.243 1.00 0.00 O ATOM 663 CB VAL A 47 -8.505 -4.707 -7.752 1.00 0.00 C ATOM 664 CG1 VAL A 47 -9.234 -5.920 -8.334 1.00 0.00 C ATOM 665 CG2 VAL A 47 -9.109 -3.403 -8.274 1.00 0.00 C ATOM 0 H VAL A 47 -10.331 -3.783 -5.813 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.036 -5.678 -5.931 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.467 -4.750 -8.081 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.213 -5.869 -9.423 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.741 -6.834 -8.003 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.269 -5.922 -7.991 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.090 -3.404 -9.364 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.139 -3.315 -7.929 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.529 -2.559 -7.902 1.00 0.00 H new ATOM 675 N ARG A 48 -6.412 -3.835 -5.469 1.00 0.00 N ATOM 676 CA ARG A 48 -5.527 -2.840 -4.889 1.00 0.00 C ATOM 677 C ARG A 48 -5.073 -1.844 -5.958 1.00 0.00 C ATOM 678 O ARG A 48 -4.774 -2.233 -7.086 1.00 0.00 O ATOM 679 CB ARG A 48 -4.297 -3.498 -4.259 1.00 0.00 C ATOM 680 CG ARG A 48 -4.503 -3.722 -2.759 1.00 0.00 C ATOM 681 CD ARG A 48 -3.172 -3.647 -2.007 1.00 0.00 C ATOM 682 NE ARG A 48 -3.219 -4.516 -0.810 1.00 0.00 N ATOM 683 CZ ARG A 48 -2.138 -4.837 -0.065 1.00 0.00 C ATOM 684 NH1 ARG A 48 -0.917 -4.364 -0.391 1.00 0.00 N ATOM 685 NH2 ARG A 48 -2.296 -5.622 0.984 1.00 0.00 N ATOM 0 H ARG A 48 -5.952 -4.697 -5.760 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.083 -2.315 -4.112 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.099 -4.451 -4.749 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.421 -2.869 -4.420 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.190 -2.972 -2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.965 -4.695 -2.593 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -2.357 -3.958 -2.661 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.969 -2.618 -1.712 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.123 -4.896 -0.530 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.805 -3.759 -1.205 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.106 -4.611 0.176 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.223 -5.976 1.221 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.491 -5.875 1.558 1.00 0.00 H new ATOM 695 N ILE A 49 -5.035 -0.580 -5.565 1.00 0.00 N ATOM 696 CA ILE A 49 -4.623 0.475 -6.476 1.00 0.00 C ATOM 697 C ILE A 49 -3.388 1.178 -5.909 1.00 0.00 C ATOM 698 O ILE A 49 -3.249 1.312 -4.694 1.00 0.00 O ATOM 699 CB ILE A 49 -5.790 1.420 -6.766 1.00 0.00 C ATOM 700 CG1 ILE A 49 -6.864 0.724 -7.605 1.00 0.00 C ATOM 701 CG2 ILE A 49 -5.300 2.713 -7.420 1.00 0.00 C ATOM 702 CD1 ILE A 49 -7.755 -0.160 -6.730 1.00 0.00 C ATOM 0 H ILE A 49 -5.283 -0.262 -4.628 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.337 0.055 -7.440 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.251 1.694 -5.817 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.474 1.471 -8.114 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.391 0.118 -8.378 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.150 3.367 -7.615 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.601 3.216 -6.752 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.799 2.479 -8.359 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.510 -0.643 -7.350 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.146 -0.920 -6.242 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.245 0.453 -5.974 1.00 0.00 H new ATOM 713 N GLN A 50 -2.524 1.609 -6.816 1.00 0.00 N ATOM 714 CA GLN A 50 -1.306 2.297 -6.421 1.00 0.00 C ATOM 715 C GLN A 50 -1.443 3.801 -6.661 1.00 0.00 C ATOM 716 O GLN A 50 -2.163 4.227 -7.563 1.00 0.00 O ATOM 717 CB GLN A 50 -0.093 1.732 -7.163 1.00 0.00 C ATOM 718 CG GLN A 50 1.167 2.542 -6.852 1.00 0.00 C ATOM 719 CD GLN A 50 2.424 1.683 -7.008 1.00 0.00 C ATOM 720 OE1 GLN A 50 2.443 0.689 -7.715 1.00 0.00 O ATOM 721 NE2 GLN A 50 3.469 2.120 -6.310 1.00 0.00 N ATOM 0 H GLN A 50 -2.643 1.495 -7.823 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.149 2.133 -5.355 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.060 0.691 -6.877 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.281 1.744 -8.237 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.225 3.402 -7.519 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.112 2.931 -5.835 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.385 2.960 -5.738 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.354 1.615 -6.347 1.00 0.00 H new ATOM 728 N GLU A 51 -0.741 4.566 -5.837 1.00 0.00 N ATOM 729 CA GLU A 51 -0.775 6.014 -5.948 1.00 0.00 C ATOM 730 C GLU A 51 0.603 6.549 -6.339 1.00 0.00 C ATOM 731 O GLU A 51 1.587 5.813 -6.319 1.00 0.00 O ATOM 732 CB GLU A 51 -1.263 6.652 -4.646 1.00 0.00 C ATOM 733 CG GLU A 51 -2.666 7.238 -4.813 1.00 0.00 C ATOM 734 CD GLU A 51 -2.621 8.766 -4.859 1.00 0.00 C ATOM 735 OE1 GLU A 51 -2.671 9.420 -3.806 1.00 0.00 O ATOM 736 OE2 GLU A 51 -2.529 9.273 -6.041 1.00 0.00 O ATOM 0 H GLU A 51 -0.145 4.210 -5.090 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.482 6.282 -6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.269 5.906 -3.852 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.571 7.437 -4.340 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.116 6.856 -5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.300 6.914 -3.987 1.00 0.00 H new ATOM 975 N ARG A 72 0.459 4.552 -0.206 1.00 0.00 N ATOM 976 CA ARG A 72 -0.865 4.223 0.291 1.00 0.00 C ATOM 977 C ARG A 72 -1.750 3.713 -0.849 1.00 0.00 C ATOM 978 O ARG A 72 -2.417 4.499 -1.520 1.00 0.00 O ATOM 979 CB ARG A 72 -1.529 5.441 0.938 1.00 0.00 C ATOM 980 CG ARG A 72 -1.218 5.505 2.434 1.00 0.00 C ATOM 981 CD ARG A 72 -2.498 5.406 3.265 1.00 0.00 C ATOM 982 NE ARG A 72 -2.602 6.568 4.177 1.00 0.00 N ATOM 983 CZ ARG A 72 -3.438 6.627 5.234 1.00 0.00 C ATOM 984 NH1 ARG A 72 -4.253 5.591 5.523 1.00 0.00 N ATOM 985 NH2 ARG A 72 -3.448 7.716 5.982 1.00 0.00 N ATOM 0 HA ARG A 72 -0.752 3.443 1.043 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.180 6.351 0.451 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.608 5.394 0.789 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.542 4.694 2.703 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.703 6.438 2.662 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.366 5.371 2.607 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.497 4.481 3.841 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.004 7.374 3.995 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.240 4.754 4.940 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.882 5.645 6.324 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.830 8.495 5.756 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.074 7.777 6.785 1.00 0.00 H new ATOM 995 N GLU A 73 -1.727 2.402 -1.033 1.00 0.00 N ATOM 996 CA GLU A 73 -2.518 1.779 -2.080 1.00 0.00 C ATOM 997 C GLU A 73 -4.008 2.033 -1.841 1.00 0.00 C ATOM 998 O GLU A 73 -4.476 1.980 -0.706 1.00 0.00 O ATOM 999 CB GLU A 73 -2.225 0.280 -2.171 1.00 0.00 C ATOM 1000 CG GLU A 73 -0.801 0.029 -2.672 1.00 0.00 C ATOM 1001 CD GLU A 73 -0.393 -1.430 -2.456 1.00 0.00 C ATOM 1002 OE1 GLU A 73 -0.395 -1.912 -1.314 1.00 0.00 O ATOM 1003 OE2 GLU A 73 -0.066 -2.068 -3.529 1.00 0.00 O ATOM 0 H GLU A 73 -1.173 1.753 -0.474 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.241 2.228 -3.034 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.356 -0.180 -1.192 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.940 -0.194 -2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.736 0.276 -3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.106 0.686 -2.149 1.00 0.00 H new ATOM 1009 N TRP A 74 -4.712 2.303 -2.931 1.00 0.00 N ATOM 1010 CA TRP A 74 -6.138 2.564 -2.856 1.00 0.00 C ATOM 1011 C TRP A 74 -6.874 1.243 -3.085 1.00 0.00 C ATOM 1012 O TRP A 74 -6.266 0.249 -3.480 1.00 0.00 O ATOM 1013 CB TRP A 74 -6.548 3.656 -3.846 1.00 0.00 C ATOM 1014 CG TRP A 74 -6.132 5.066 -3.423 1.00 0.00 C ATOM 1015 CD1 TRP A 74 -5.757 5.488 -2.208 1.00 0.00 C ATOM 1016 CD2 TRP A 74 -6.064 6.233 -4.272 1.00 0.00 C ATOM 1017 NE1 TRP A 74 -5.453 6.833 -2.210 1.00 0.00 N ATOM 1018 CE2 TRP A 74 -5.646 7.301 -3.505 1.00 0.00 C ATOM 1019 CE3 TRP A 74 -6.347 6.380 -5.641 1.00 0.00 C ATOM 1020 CZ2 TRP A 74 -5.472 8.592 -4.019 1.00 0.00 C ATOM 1021 CZ3 TRP A 74 -6.169 7.676 -6.139 1.00 0.00 C ATOM 1022 CH2 TRP A 74 -5.747 8.763 -5.381 1.00 0.00 C ATOM 0 H TRP A 74 -4.320 2.346 -3.872 1.00 0.00 H new ATOM 0 HA TRP A 74 -6.408 2.946 -1.872 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -6.108 3.435 -4.818 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.630 3.630 -3.972 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.700 4.854 -1.336 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -5.144 7.383 -1.409 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -6.676 5.558 -6.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.143 9.412 -3.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.374 7.844 -7.186 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.632 9.734 -5.841 1.00 0.00 H new ATOM 1032 N TRP A 75 -8.174 1.273 -2.826 1.00 0.00 N ATOM 1033 CA TRP A 75 -8.999 0.090 -3.000 1.00 0.00 C ATOM 1034 C TRP A 75 -10.134 0.443 -3.963 1.00 0.00 C ATOM 1035 O TRP A 75 -10.588 1.585 -4.002 1.00 0.00 O ATOM 1036 CB TRP A 75 -9.500 -0.431 -1.651 1.00 0.00 C ATOM 1037 CG TRP A 75 -8.393 -0.971 -0.743 1.00 0.00 C ATOM 1038 CD1 TRP A 75 -7.698 -0.309 0.193 1.00 0.00 C ATOM 1039 CD2 TRP A 75 -7.879 -2.319 -0.722 1.00 0.00 C ATOM 1040 NE1 TRP A 75 -6.778 -1.130 0.813 1.00 0.00 N ATOM 1041 CE2 TRP A 75 -6.891 -2.390 0.239 1.00 0.00 C ATOM 1042 CE3 TRP A 75 -8.237 -3.441 -1.490 1.00 0.00 C ATOM 1043 CZ2 TRP A 75 -6.179 -3.563 0.521 1.00 0.00 C ATOM 1044 CZ3 TRP A 75 -7.517 -4.604 -1.196 1.00 0.00 C ATOM 1045 CH2 TRP A 75 -6.519 -4.693 -0.231 1.00 0.00 C ATOM 0 H TRP A 75 -8.675 2.098 -2.497 1.00 0.00 H new ATOM 0 HA TRP A 75 -8.418 -0.726 -3.430 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -10.021 0.374 -1.133 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -10.230 -1.221 -1.827 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -7.840 0.735 0.432 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -6.133 -0.861 1.556 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -9.007 -3.408 -2.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -5.409 -3.594 1.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -7.753 -5.496 -1.758 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -6.009 -5.630 -0.063 1.00 0.00 H new ATOM 1055 N ALA A 76 -10.560 -0.560 -4.717 1.00 0.00 N ATOM 1056 CA ALA A 76 -11.634 -0.371 -5.677 1.00 0.00 C ATOM 1057 C ALA A 76 -12.310 -1.716 -5.952 1.00 0.00 C ATOM 1058 O ALA A 76 -11.910 -2.739 -5.400 1.00 0.00 O ATOM 1059 CB ALA A 76 -11.074 0.271 -6.949 1.00 0.00 C ATOM 0 H ALA A 76 -10.181 -1.506 -4.682 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.392 0.303 -5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.879 0.413 -7.670 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.631 1.237 -6.705 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.312 -0.379 -7.380 1.00 0.00 H new ATOM 1065 N LEU A 77 -13.322 -1.669 -6.806 1.00 0.00 N ATOM 1066 CA LEU A 77 -14.058 -2.871 -7.161 1.00 0.00 C ATOM 1067 C LEU A 77 -13.508 -3.432 -8.474 1.00 0.00 C ATOM 1068 O LEU A 77 -12.975 -2.686 -9.296 1.00 0.00 O ATOM 1069 CB LEU A 77 -15.561 -2.590 -7.194 1.00 0.00 C ATOM 1070 CG LEU A 77 -16.093 -1.659 -6.102 1.00 0.00 C ATOM 1071 CD1 LEU A 77 -17.470 -1.106 -6.477 1.00 0.00 C ATOM 1072 CD2 LEU A 77 -16.108 -2.360 -4.743 1.00 0.00 C ATOM 0 H LEU A 77 -13.650 -0.818 -7.262 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.918 -3.641 -6.402 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.809 -2.159 -8.164 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -16.090 -3.540 -7.123 1.00 0.00 H new ATOM 0 HG LEU A 77 -15.416 -0.809 -6.018 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.826 -0.447 -5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -17.395 -0.545 -7.409 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -18.171 -1.931 -6.605 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.490 -1.676 -3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.749 -3.240 -4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.095 -2.664 -4.479 1.00 0.00 H new ATOM 1083 N ARG A 78 -13.653 -4.739 -8.630 1.00 0.00 N ATOM 1084 CA ARG A 78 -13.178 -5.407 -9.829 1.00 0.00 C ATOM 1085 C ARG A 78 -14.103 -5.102 -11.009 1.00 0.00 C ATOM 1086 O ARG A 78 -15.254 -5.536 -11.028 1.00 0.00 O ATOM 1087 CB ARG A 78 -13.107 -6.922 -9.624 1.00 0.00 C ATOM 1088 CG ARG A 78 -12.612 -7.624 -10.891 1.00 0.00 C ATOM 1089 CD ARG A 78 -11.105 -7.428 -11.073 1.00 0.00 C ATOM 1090 NE ARG A 78 -10.782 -7.311 -12.513 1.00 0.00 N ATOM 1091 CZ ARG A 78 -9.526 -7.291 -13.007 1.00 0.00 C ATOM 1092 NH1 ARG A 78 -8.463 -7.380 -12.180 1.00 0.00 N ATOM 1093 NH2 ARG A 78 -9.353 -7.183 -14.311 1.00 0.00 N ATOM 0 H ARG A 78 -14.093 -5.354 -7.945 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.177 -5.033 -10.042 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.439 -7.149 -8.793 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -14.092 -7.303 -9.354 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.840 -8.688 -10.834 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.141 -7.231 -11.759 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.780 -6.532 -10.545 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.565 -8.269 -10.637 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.557 -7.241 -13.173 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.605 -7.463 -11.173 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.517 -7.364 -12.562 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.162 -7.116 -14.929 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.411 -7.166 -14.701 1.00 0.00 H new