USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 504 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 45 GLN : amide:sc= -1.23 K(o=-2.4,f=-9.6!) USER MOD Set 1.2: A 48 GLN : amide:sc= -1.17 X(o=-2.4,f=-2.4) USER MOD Set 2.1: A 12 CYS SG : rot 31:sc= -7.55! USER MOD Set 2.2: A 16 GLN :FLIP amide:sc= -4.85! C(o=-17!,f=-12!) USER MOD Single : A 1 MET CE :methyl 165:sc= -9.28! (180deg=-9.73!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0692 X(o=-0.069,f=0) USER MOD Single : A 6 ASN :FLIP amide:sc= -0.276 F(o=-1.7!,f=-0.28) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 MET CE :methyl 150:sc= -9.82! (180deg=-10.5!) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 17 THR OG1 : rot 123:sc= 0.998 USER MOD Single : A 19 HIS :FLIP no HE2:sc= 0.0129 F(o=-0.61,f=0.013) USER MOD Single : A 24 GLN : amide:sc= -1.71! C(o=-1.7!,f=-5.9!) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.315 F(o=-1.9,f=-0.31) USER MOD Single : A 29 GLN : amide:sc= -3.01! C(o=-3!,f=-4.5!) USER MOD Single : A 37 ASN :FLIP amide:sc= -2.15! C(o=-3.6!,f=-2.2!) USER MOD Single : A 38 GLN : amide:sc= -4! C(o=-4!,f=-3.9!) USER MOD Single : A 39 GLN : amide:sc= -3.22 K(o=-3.2,f=-8.2!) USER MOD Single : A 49 HIS :FLIP no HE2:sc= -10.1! C(o=-12!,f=-10!) USER MOD Single : A 52 GLN : amide:sc= -1.94! X(o=-1.9!,f=-1.8) USER MOD Single : A 56 GLN : amide:sc= -0.0383 K(o=-0.038,f=-1) USER MOD Single : A 61 GLN : amide:sc= -3.06! C(o=-3.1!,f=-8.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.419 1.749 3.514 1.00 0.00 N ATOM 2 CA MET A 1 13.283 1.998 2.584 1.00 0.00 C ATOM 3 C MET A 1 12.435 3.169 3.051 1.00 0.00 C ATOM 4 O MET A 1 12.389 3.500 4.218 1.00 0.00 O ATOM 5 CB MET A 1 12.418 0.750 2.630 1.00 0.00 C ATOM 6 CG MET A 1 11.666 0.662 1.324 1.00 0.00 C ATOM 7 SD MET A 1 10.083 -0.176 1.526 1.00 0.00 S ATOM 8 CE MET A 1 9.545 0.085 -0.182 1.00 0.00 C ATOM 0 H1 MET A 1 14.980 0.944 3.169 1.00 0.00 H new ATOM 0 H2 MET A 1 15.021 2.596 3.561 1.00 0.00 H new ATOM 0 H3 MET A 1 14.050 1.533 4.462 1.00 0.00 H new ATOM 0 HA MET A 1 13.661 2.224 1.587 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.034 -0.137 2.776 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.723 0.797 3.469 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.500 1.665 0.931 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.270 0.128 0.591 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.701 -0.569 -0.401 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.243 1.124 -0.314 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.367 -0.143 -0.861 1.00 0.00 H new ATOM 20 N GLN A 2 11.725 3.765 2.142 1.00 0.00 N ATOM 21 CA GLN A 2 10.825 4.880 2.512 1.00 0.00 C ATOM 22 C GLN A 2 9.667 4.918 1.565 1.00 0.00 C ATOM 23 O GLN A 2 9.741 4.479 0.435 1.00 0.00 O ATOM 24 CB GLN A 2 11.636 6.142 2.394 1.00 0.00 C ATOM 25 CG GLN A 2 10.751 7.331 2.762 1.00 0.00 C ATOM 26 CD GLN A 2 11.456 8.188 3.814 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.883 8.508 4.837 1.00 0.00 O ATOM 28 NE2 GLN A 2 12.685 8.576 3.606 1.00 0.00 N ATOM 0 H GLN A 2 11.731 3.524 1.151 1.00 0.00 H new ATOM 0 HA GLN A 2 10.433 4.764 3.522 1.00 0.00 H new ATOM 0 HB2 GLN A 2 12.502 6.097 3.054 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.015 6.254 1.378 1.00 0.00 H new ATOM 0 HG2 GLN A 2 10.539 7.928 1.875 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.794 6.980 3.147 1.00 0.00 H new ATOM 0 HE21 GLN A 2 13.166 8.308 2.748 1.00 0.00 H new ATOM 0 HE22 GLN A 2 13.164 9.147 4.302 1.00 0.00 H new ATOM 37 N ILE A 3 8.565 5.360 2.044 1.00 0.00 N ATOM 38 CA ILE A 3 7.380 5.339 1.207 1.00 0.00 C ATOM 39 C ILE A 3 6.461 6.497 1.533 1.00 0.00 C ATOM 40 O ILE A 3 6.668 7.236 2.475 1.00 0.00 O ATOM 41 CB ILE A 3 6.717 4.013 1.578 1.00 0.00 C ATOM 42 CG1 ILE A 3 5.705 4.237 2.718 1.00 0.00 C ATOM 43 CG2 ILE A 3 7.794 3.009 2.042 1.00 0.00 C ATOM 44 CD1 ILE A 3 5.594 2.992 3.609 1.00 0.00 C ATOM 0 H ILE A 3 8.437 5.736 2.984 1.00 0.00 H new ATOM 0 HA ILE A 3 7.610 5.430 0.145 1.00 0.00 H new ATOM 0 HB ILE A 3 6.198 3.616 0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.013 5.092 3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.728 4.477 2.299 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.320 2.064 2.306 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.509 2.844 1.236 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.314 3.410 2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.873 3.178 4.405 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.262 2.144 3.010 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.568 2.769 4.046 1.00 0.00 H new ATOM 56 N LEU A 4 5.409 6.605 0.804 1.00 0.00 N ATOM 57 CA LEU A 4 4.427 7.644 1.109 1.00 0.00 C ATOM 58 C LEU A 4 3.063 6.994 1.159 1.00 0.00 C ATOM 59 O LEU A 4 2.517 6.592 0.155 1.00 0.00 O ATOM 60 CB LEU A 4 4.494 8.650 -0.029 1.00 0.00 C ATOM 61 CG LEU A 4 3.490 9.768 0.248 1.00 0.00 C ATOM 62 CD1 LEU A 4 2.108 9.256 -0.123 1.00 0.00 C ATOM 63 CD2 LEU A 4 3.529 10.126 1.730 1.00 0.00 C ATOM 0 H LEU A 4 5.187 6.013 0.004 1.00 0.00 H new ATOM 0 HA LEU A 4 4.619 8.138 2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.501 9.058 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.266 8.164 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 4 3.732 10.657 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.369 10.035 0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.091 8.987 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.871 8.379 0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.814 10.924 1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.270 9.249 2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.531 10.462 1.997 1.00 0.00 H new ATOM 75 N PHE A 5 2.508 6.887 2.317 1.00 0.00 N ATOM 76 CA PHE A 5 1.179 6.264 2.423 1.00 0.00 C ATOM 77 C PHE A 5 0.135 7.357 2.654 1.00 0.00 C ATOM 78 O PHE A 5 -0.012 7.865 3.747 1.00 0.00 O ATOM 79 CB PHE A 5 1.305 5.342 3.634 1.00 0.00 C ATOM 80 CG PHE A 5 -0.011 4.662 3.911 1.00 0.00 C ATOM 81 CD1 PHE A 5 -0.377 3.537 3.167 1.00 0.00 C ATOM 82 CD2 PHE A 5 -0.859 5.146 4.915 1.00 0.00 C ATOM 83 CE1 PHE A 5 -1.593 2.892 3.424 1.00 0.00 C ATOM 84 CE2 PHE A 5 -2.075 4.501 5.174 1.00 0.00 C ATOM 85 CZ PHE A 5 -2.442 3.374 4.428 1.00 0.00 C ATOM 0 H PHE A 5 2.917 7.204 3.196 1.00 0.00 H new ATOM 0 HA PHE A 5 0.870 5.718 1.532 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.077 4.595 3.452 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.616 5.916 4.506 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.278 3.165 2.393 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.576 6.016 5.489 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.876 2.023 2.848 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.729 4.873 5.949 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.380 2.877 4.627 1.00 0.00 H new ATOM 95 N ASN A 6 -0.586 7.732 1.634 1.00 0.00 N ATOM 96 CA ASN A 6 -1.605 8.798 1.811 1.00 0.00 C ATOM 97 C ASN A 6 -0.909 10.068 2.295 1.00 0.00 C ATOM 98 O ASN A 6 -1.209 10.625 3.333 1.00 0.00 O ATOM 99 CB ASN A 6 -2.579 8.229 2.845 1.00 0.00 C ATOM 100 CG ASN A 6 -3.934 8.945 2.776 1.00 0.00 C ATOM 101 OD1 ASN A 6 -4.127 9.907 1.915 1.00 0.00 O flip ATOM 102 ND2 ASN A 6 -4.837 8.614 3.519 1.00 0.00 N flip ATOM 0 H ASN A 6 -0.513 7.348 0.692 1.00 0.00 H new ATOM 0 HA ASN A 6 -2.134 9.068 0.897 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.718 7.162 2.670 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.158 8.336 3.844 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -4.693 7.863 4.194 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -5.739 9.087 3.468 1.00 0.00 H new ATOM 109 N ASP A 7 0.044 10.492 1.527 1.00 0.00 N ATOM 110 CA ASP A 7 0.850 11.701 1.854 1.00 0.00 C ATOM 111 C ASP A 7 1.529 11.541 3.209 1.00 0.00 C ATOM 112 O ASP A 7 2.021 12.491 3.784 1.00 0.00 O ATOM 113 CB ASP A 7 -0.110 12.869 1.871 1.00 0.00 C ATOM 114 CG ASP A 7 -1.024 12.802 0.650 1.00 0.00 C ATOM 115 OD1 ASP A 7 -0.531 13.019 -0.444 1.00 0.00 O ATOM 116 OD2 ASP A 7 -2.203 12.541 0.828 1.00 0.00 O ATOM 0 H ASP A 7 0.310 10.037 0.654 1.00 0.00 H new ATOM 0 HA ASP A 7 1.639 11.857 1.119 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.705 12.850 2.784 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.444 13.808 1.871 1.00 0.00 H new ATOM 121 N GLN A 8 1.614 10.340 3.694 1.00 0.00 N ATOM 122 CA GLN A 8 2.323 10.125 4.982 1.00 0.00 C ATOM 123 C GLN A 8 3.626 9.398 4.675 1.00 0.00 C ATOM 124 O GLN A 8 3.627 8.295 4.181 1.00 0.00 O ATOM 125 CB GLN A 8 1.395 9.251 5.819 1.00 0.00 C ATOM 126 CG GLN A 8 0.022 9.919 5.896 1.00 0.00 C ATOM 127 CD GLN A 8 -0.368 10.161 7.357 1.00 0.00 C ATOM 128 OE1 GLN A 8 -0.792 9.254 8.044 1.00 0.00 O ATOM 129 NE2 GLN A 8 -0.248 11.360 7.861 1.00 0.00 N ATOM 0 H GLN A 8 1.227 9.502 3.260 1.00 0.00 H new ATOM 0 HA GLN A 8 2.558 11.048 5.512 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.308 8.260 5.374 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.805 9.116 6.820 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.039 10.865 5.355 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.725 9.289 5.412 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.108 12.122 7.284 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.510 11.534 8.831 1.00 0.00 H new ATOM 138 N ALA A 9 4.736 10.007 4.936 1.00 0.00 N ATOM 139 CA ALA A 9 6.023 9.336 4.614 1.00 0.00 C ATOM 140 C ALA A 9 6.298 8.191 5.582 1.00 0.00 C ATOM 141 O ALA A 9 5.870 8.197 6.718 1.00 0.00 O ATOM 142 CB ALA A 9 7.082 10.422 4.731 1.00 0.00 C ATOM 0 H ALA A 9 4.815 10.934 5.355 1.00 0.00 H new ATOM 0 HA ALA A 9 6.011 8.892 3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.062 10.000 4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.861 11.223 4.025 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.083 10.822 5.745 1.00 0.00 H new ATOM 148 N MET A 10 6.990 7.192 5.120 1.00 0.00 N ATOM 149 CA MET A 10 7.278 6.012 5.993 1.00 0.00 C ATOM 150 C MET A 10 8.641 5.408 5.709 1.00 0.00 C ATOM 151 O MET A 10 9.366 5.833 4.839 1.00 0.00 O ATOM 152 CB MET A 10 6.276 4.961 5.572 1.00 0.00 C ATOM 153 CG MET A 10 5.776 4.189 6.781 1.00 0.00 C ATOM 154 SD MET A 10 4.341 5.026 7.492 1.00 0.00 S ATOM 155 CE MET A 10 3.154 4.559 6.210 1.00 0.00 C ATOM 0 H MET A 10 7.371 7.136 4.176 1.00 0.00 H new ATOM 0 HA MET A 10 7.235 6.315 7.039 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.437 5.434 5.062 1.00 0.00 H new ATOM 0 HB3 MET A 10 6.736 4.276 4.860 1.00 0.00 H new ATOM 0 HG2 MET A 10 5.509 3.173 6.490 1.00 0.00 H new ATOM 0 HG3 MET A 10 6.568 4.109 7.526 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.158 4.484 6.646 1.00 0.00 H new ATOM 0 HE2 MET A 10 3.150 5.315 5.425 1.00 0.00 H new ATOM 0 HE3 MET A 10 3.438 3.596 5.785 1.00 0.00 H new ATOM 165 N GLN A 11 8.929 4.346 6.406 1.00 0.00 N ATOM 166 CA GLN A 11 10.175 3.587 6.164 1.00 0.00 C ATOM 167 C GLN A 11 9.908 2.138 6.530 1.00 0.00 C ATOM 168 O GLN A 11 9.545 1.812 7.643 1.00 0.00 O ATOM 169 CB GLN A 11 11.276 4.131 7.050 1.00 0.00 C ATOM 170 CG GLN A 11 10.960 5.553 7.517 1.00 0.00 C ATOM 171 CD GLN A 11 12.077 6.035 8.445 1.00 0.00 C ATOM 172 OE1 GLN A 11 13.228 5.700 8.251 1.00 0.00 O ATOM 173 NE2 GLN A 11 11.785 6.809 9.454 1.00 0.00 N ATOM 0 H GLN A 11 8.338 3.969 7.147 1.00 0.00 H new ATOM 0 HA GLN A 11 10.482 3.673 5.122 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.404 3.481 7.916 1.00 0.00 H new ATOM 0 HB3 GLN A 11 12.220 4.126 6.505 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.870 6.219 6.659 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.003 5.574 8.038 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.818 7.091 9.618 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.523 7.132 10.079 1.00 0.00 H new ATOM 182 N CYS A 12 10.061 1.282 5.590 1.00 0.00 N ATOM 183 CA CYS A 12 9.797 -0.163 5.834 1.00 0.00 C ATOM 184 C CYS A 12 10.692 -1.033 4.953 1.00 0.00 C ATOM 185 O CYS A 12 11.824 -0.702 4.676 1.00 0.00 O ATOM 186 CB CYS A 12 8.314 -0.329 5.505 1.00 0.00 C ATOM 187 SG CYS A 12 8.008 0.238 3.821 1.00 0.00 S ATOM 0 H CYS A 12 10.362 1.511 4.643 1.00 0.00 H new ATOM 0 HA CYS A 12 10.018 -0.475 6.855 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.022 -1.374 5.607 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.708 0.242 6.209 1.00 0.00 H new ATOM 0 HG CYS A 12 9.069 0.038 3.096 1.00 0.00 H new ATOM 193 N ALA A 13 10.221 -2.175 4.576 1.00 0.00 N ATOM 194 CA ALA A 13 11.060 -3.101 3.773 1.00 0.00 C ATOM 195 C ALA A 13 10.942 -2.895 2.263 1.00 0.00 C ATOM 196 O ALA A 13 9.925 -3.165 1.662 1.00 0.00 O ATOM 197 CB ALA A 13 10.549 -4.491 4.134 1.00 0.00 C ATOM 0 H ALA A 13 9.283 -2.515 4.789 1.00 0.00 H new ATOM 0 HA ALA A 13 12.113 -2.935 4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.116 -5.241 3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.671 -4.657 5.204 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.494 -4.570 3.873 1.00 0.00 H new ATOM 203 N ALA A 14 12.002 -2.453 1.642 1.00 0.00 N ATOM 204 CA ALA A 14 11.984 -2.278 0.158 1.00 0.00 C ATOM 205 C ALA A 14 11.829 -3.634 -0.530 1.00 0.00 C ATOM 206 O ALA A 14 12.369 -4.629 -0.092 1.00 0.00 O ATOM 207 CB ALA A 14 13.343 -1.693 -0.209 1.00 0.00 C ATOM 0 H ALA A 14 12.881 -2.205 2.097 1.00 0.00 H new ATOM 0 HA ALA A 14 11.158 -1.639 -0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.394 -1.540 -1.287 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.477 -0.738 0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.130 -2.382 0.098 1.00 0.00 H new ATOM 213 N GLY A 15 11.111 -3.670 -1.610 1.00 0.00 N ATOM 214 CA GLY A 15 10.929 -4.944 -2.350 1.00 0.00 C ATOM 215 C GLY A 15 9.800 -5.754 -1.721 1.00 0.00 C ATOM 216 O GLY A 15 9.410 -6.790 -2.220 1.00 0.00 O ATOM 0 H GLY A 15 10.637 -2.864 -2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.701 -4.738 -3.396 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.854 -5.520 -2.333 1.00 0.00 H new ATOM 220 N GLN A 16 9.265 -5.285 -0.633 1.00 0.00 N ATOM 221 CA GLN A 16 8.155 -6.016 0.027 1.00 0.00 C ATOM 222 C GLN A 16 6.822 -5.621 -0.633 1.00 0.00 C ATOM 223 O GLN A 16 6.575 -4.456 -0.865 1.00 0.00 O ATOM 224 CB GLN A 16 8.223 -5.543 1.482 1.00 0.00 C ATOM 225 CG GLN A 16 7.110 -4.527 1.767 1.00 0.00 C ATOM 226 CD GLN A 16 7.290 -3.918 3.151 1.00 0.00 C ATOM 227 OE1 GLN A 16 7.642 -2.671 3.245 1.00 0.00 O flip ATOM 228 NE2 GLN A 16 7.107 -4.580 4.154 1.00 0.00 N flip ATOM 0 H GLN A 16 9.551 -4.422 -0.170 1.00 0.00 H new ATOM 0 HA GLN A 16 8.231 -7.101 -0.051 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.126 -6.396 2.153 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.195 -5.092 1.679 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.124 -3.741 1.012 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.138 -5.015 1.701 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.831 -5.559 4.076 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.230 -4.157 5.074 1.00 0.00 H new ATOM 237 N THR A 17 5.962 -6.549 -0.948 1.00 0.00 N ATOM 238 CA THR A 17 4.684 -6.140 -1.592 1.00 0.00 C ATOM 239 C THR A 17 3.900 -5.182 -0.704 1.00 0.00 C ATOM 240 O THR A 17 4.371 -4.675 0.295 1.00 0.00 O ATOM 241 CB THR A 17 3.806 -7.379 -1.751 1.00 0.00 C ATOM 242 OG1 THR A 17 3.130 -7.632 -0.525 1.00 0.00 O ATOM 243 CG2 THR A 17 4.612 -8.609 -2.115 1.00 0.00 C ATOM 0 H THR A 17 6.084 -7.550 -0.792 1.00 0.00 H new ATOM 0 HA THR A 17 4.925 -5.663 -2.542 1.00 0.00 H new ATOM 0 HB THR A 17 3.102 -7.180 -2.559 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.163 -7.649 -0.682 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.944 -9.464 -2.217 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.130 -8.438 -3.059 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.342 -8.810 -1.331 1.00 0.00 H new ATOM 251 N VAL A 18 2.672 -4.999 -1.076 1.00 0.00 N ATOM 252 CA VAL A 18 1.727 -4.147 -0.310 1.00 0.00 C ATOM 253 C VAL A 18 1.260 -4.919 0.884 1.00 0.00 C ATOM 254 O VAL A 18 1.413 -4.513 2.014 1.00 0.00 O ATOM 255 CB VAL A 18 0.577 -4.027 -1.233 1.00 0.00 C ATOM 256 CG1 VAL A 18 -0.499 -3.167 -0.607 1.00 0.00 C ATOM 257 CG2 VAL A 18 1.071 -3.460 -2.545 1.00 0.00 C ATOM 0 H VAL A 18 2.267 -5.421 -1.912 1.00 0.00 H new ATOM 0 HA VAL A 18 2.154 -3.197 0.012 1.00 0.00 H new ATOM 0 HB VAL A 18 0.132 -5.003 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.342 -3.083 -1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.833 -3.623 0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.098 -2.174 -0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.235 -3.365 -3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.514 -2.479 -2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.821 -4.127 -2.970 1.00 0.00 H new ATOM 267 N HIS A 19 0.747 -6.097 0.633 1.00 0.00 N ATOM 268 CA HIS A 19 0.345 -6.952 1.752 1.00 0.00 C ATOM 269 C HIS A 19 1.541 -6.975 2.678 1.00 0.00 C ATOM 270 O HIS A 19 1.436 -7.092 3.885 1.00 0.00 O ATOM 271 CB HIS A 19 0.139 -8.318 1.107 1.00 0.00 C ATOM 272 CG HIS A 19 -0.497 -9.254 2.094 1.00 0.00 C ATOM 273 ND1 HIS A 19 -0.163 -9.597 3.381 1.00 0.00 N flip ATOM 274 CD2 HIS A 19 -1.640 -9.979 1.795 1.00 0.00 C flip ATOM 275 CE1 HIS A 19 -1.079 -10.518 3.875 1.00 0.00 C flip ATOM 276 NE2 HIS A 19 -1.949 -10.713 2.879 1.00 0.00 N flip ATOM 0 H HIS A 19 0.596 -6.488 -0.297 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.543 -6.639 2.301 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.492 -8.222 0.224 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.095 -8.721 0.773 1.00 0.00 H new ATOM 0 HD1 HIS A 19 0.637 -9.231 3.897 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.183 -9.958 0.862 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.086 -10.977 4.853 1.00 0.00 H new ATOM 284 N GLU A 20 2.694 -6.792 2.080 1.00 0.00 N ATOM 285 CA GLU A 20 3.943 -6.742 2.883 1.00 0.00 C ATOM 286 C GLU A 20 4.122 -5.329 3.421 1.00 0.00 C ATOM 287 O GLU A 20 4.576 -5.121 4.531 1.00 0.00 O ATOM 288 CB GLU A 20 5.071 -7.114 1.918 1.00 0.00 C ATOM 289 CG GLU A 20 5.039 -8.621 1.649 1.00 0.00 C ATOM 290 CD GLU A 20 6.443 -9.200 1.824 1.00 0.00 C ATOM 291 OE1 GLU A 20 7.387 -8.554 1.399 1.00 0.00 O ATOM 292 OE2 GLU A 20 6.552 -10.280 2.380 1.00 0.00 O ATOM 0 H GLU A 20 2.818 -6.676 1.074 1.00 0.00 H new ATOM 0 HA GLU A 20 3.928 -7.421 3.736 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.960 -6.565 0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.034 -6.830 2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.345 -9.109 2.334 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.678 -8.813 0.639 1.00 0.00 H new ATOM 299 N LEU A 21 3.753 -4.349 2.642 1.00 0.00 N ATOM 300 CA LEU A 21 3.885 -2.945 3.109 1.00 0.00 C ATOM 301 C LEU A 21 2.847 -2.672 4.190 1.00 0.00 C ATOM 302 O LEU A 21 3.169 -2.373 5.319 1.00 0.00 O ATOM 303 CB LEU A 21 3.584 -2.118 1.856 1.00 0.00 C ATOM 304 CG LEU A 21 4.124 -0.697 1.991 1.00 0.00 C ATOM 305 CD1 LEU A 21 3.251 0.090 2.962 1.00 0.00 C ATOM 306 CD2 LEU A 21 5.560 -0.744 2.504 1.00 0.00 C ATOM 0 H LEU A 21 3.367 -4.462 1.705 1.00 0.00 H new ATOM 0 HA LEU A 21 4.861 -2.717 3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.029 -2.598 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.508 -2.087 1.688 1.00 0.00 H new ATOM 0 HG LEU A 21 4.108 -0.207 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.637 1.105 3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.229 0.125 2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.262 -0.396 3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.945 0.271 2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.583 -1.235 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.179 -1.302 1.802 1.00 0.00 H new ATOM 318 N LEU A 22 1.603 -2.796 3.846 1.00 0.00 N ATOM 319 CA LEU A 22 0.517 -2.559 4.830 1.00 0.00 C ATOM 320 C LEU A 22 0.761 -3.345 6.103 1.00 0.00 C ATOM 321 O LEU A 22 0.818 -2.804 7.189 1.00 0.00 O ATOM 322 CB LEU A 22 -0.716 -3.102 4.127 1.00 0.00 C ATOM 323 CG LEU A 22 -1.220 -2.057 3.158 1.00 0.00 C ATOM 324 CD1 LEU A 22 -2.208 -2.696 2.192 1.00 0.00 C ATOM 325 CD2 LEU A 22 -1.911 -0.972 3.964 1.00 0.00 C ATOM 0 H LEU A 22 1.286 -3.055 2.912 1.00 0.00 H new ATOM 0 HA LEU A 22 0.435 -1.511 5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.474 -4.023 3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.489 -3.347 4.855 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.396 -1.633 2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.572 -1.943 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.712 -3.494 1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.048 -3.109 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.286 -0.202 3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.743 -1.405 4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.201 -0.529 4.662 1.00 0.00 H new ATOM 337 N GLU A 23 0.909 -4.621 5.970 1.00 0.00 N ATOM 338 CA GLU A 23 1.152 -5.460 7.171 1.00 0.00 C ATOM 339 C GLU A 23 2.334 -4.898 7.952 1.00 0.00 C ATOM 340 O GLU A 23 2.316 -4.843 9.166 1.00 0.00 O ATOM 341 CB GLU A 23 1.485 -6.840 6.622 1.00 0.00 C ATOM 342 CG GLU A 23 1.660 -7.826 7.778 1.00 0.00 C ATOM 343 CD GLU A 23 3.011 -7.585 8.455 1.00 0.00 C ATOM 344 OE1 GLU A 23 3.976 -7.360 7.743 1.00 0.00 O ATOM 345 OE2 GLU A 23 3.058 -7.629 9.673 1.00 0.00 O ATOM 0 H GLU A 23 0.873 -5.125 5.084 1.00 0.00 H new ATOM 0 HA GLU A 23 0.297 -5.488 7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.690 -7.180 5.959 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.398 -6.795 6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.853 -7.703 8.500 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.604 -8.850 7.408 1.00 0.00 H new ATOM 352 N GLN A 24 3.357 -4.458 7.271 1.00 0.00 N ATOM 353 CA GLN A 24 4.512 -3.885 8.001 1.00 0.00 C ATOM 354 C GLN A 24 4.075 -2.579 8.656 1.00 0.00 C ATOM 355 O GLN A 24 4.415 -2.291 9.785 1.00 0.00 O ATOM 356 CB GLN A 24 5.579 -3.637 6.938 1.00 0.00 C ATOM 357 CG GLN A 24 6.858 -3.151 7.617 1.00 0.00 C ATOM 358 CD GLN A 24 7.546 -4.329 8.309 1.00 0.00 C ATOM 359 OE1 GLN A 24 6.932 -5.039 9.080 1.00 0.00 O ATOM 360 NE2 GLN A 24 8.804 -4.566 8.064 1.00 0.00 N ATOM 0 H GLN A 24 3.439 -4.472 6.254 1.00 0.00 H new ATOM 0 HA GLN A 24 4.892 -4.539 8.786 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.774 -4.553 6.380 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.229 -2.895 6.220 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.527 -2.706 6.880 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.624 -2.374 8.345 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.319 -3.969 7.416 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.274 -5.348 8.520 1.00 0.00 H new ATOM 369 N LEU A 25 3.287 -1.800 7.961 1.00 0.00 N ATOM 370 CA LEU A 25 2.794 -0.534 8.546 1.00 0.00 C ATOM 371 C LEU A 25 1.784 -0.872 9.643 1.00 0.00 C ATOM 372 O LEU A 25 1.542 -0.081 10.529 1.00 0.00 O ATOM 373 CB LEU A 25 2.137 0.197 7.377 1.00 0.00 C ATOM 374 CG LEU A 25 3.184 0.479 6.292 1.00 0.00 C ATOM 375 CD1 LEU A 25 2.673 1.566 5.344 1.00 0.00 C ATOM 376 CD2 LEU A 25 4.496 0.937 6.934 1.00 0.00 C ATOM 0 H LEU A 25 2.967 -1.993 7.012 1.00 0.00 H new ATOM 0 HA LEU A 25 3.571 0.080 9.001 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.327 -0.406 6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.695 1.132 7.722 1.00 0.00 H new ATOM 0 HG LEU A 25 3.361 -0.437 5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.422 1.761 4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.748 1.233 4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.484 2.480 5.907 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.233 1.135 6.155 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.322 1.847 7.508 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.869 0.156 7.596 1.00 0.00 H new ATOM 388 N ASP A 26 1.219 -2.071 9.560 1.00 0.00 N ATOM 389 CA ASP A 26 0.216 -2.599 10.554 1.00 0.00 C ATOM 390 C ASP A 26 -1.185 -2.556 9.961 1.00 0.00 C ATOM 391 O ASP A 26 -2.171 -2.533 10.671 1.00 0.00 O ATOM 392 CB ASP A 26 0.288 -1.725 11.802 1.00 0.00 C ATOM 393 CG ASP A 26 -0.579 -2.330 12.907 1.00 0.00 C ATOM 394 OD1 ASP A 26 -0.151 -3.306 13.500 1.00 0.00 O ATOM 395 OD2 ASP A 26 -1.659 -1.811 13.135 1.00 0.00 O ATOM 0 H ASP A 26 1.426 -2.728 8.808 1.00 0.00 H new ATOM 0 HA ASP A 26 0.443 -3.635 10.805 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.321 -1.643 12.141 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -0.053 -0.716 11.571 1.00 0.00 H new ATOM 400 N GLN A 27 -1.284 -2.547 8.664 1.00 0.00 N ATOM 401 CA GLN A 27 -2.629 -2.509 8.025 1.00 0.00 C ATOM 402 C GLN A 27 -2.954 -3.888 7.446 1.00 0.00 C ATOM 403 O GLN A 27 -2.130 -4.507 6.804 1.00 0.00 O ATOM 404 CB GLN A 27 -2.504 -1.468 6.912 1.00 0.00 C ATOM 405 CG GLN A 27 -1.696 -0.269 7.421 1.00 0.00 C ATOM 406 CD GLN A 27 -2.512 1.016 7.265 1.00 0.00 C ATOM 407 OE1 GLN A 27 -3.349 1.134 6.270 1.00 0.00 O flip ATOM 408 NE2 GLN A 27 -2.388 1.924 8.061 1.00 0.00 N flip ATOM 0 H GLN A 27 -0.495 -2.564 8.018 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.426 -2.255 8.724 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.015 -1.907 6.042 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.494 -1.143 6.591 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.431 -0.417 8.468 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.762 -0.187 6.865 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.735 1.834 8.839 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.937 2.777 7.952 1.00 0.00 H new ATOM 417 N ARG A 28 -4.137 -4.387 7.680 1.00 0.00 N ATOM 418 CA ARG A 28 -4.483 -5.737 7.148 1.00 0.00 C ATOM 419 C ARG A 28 -5.296 -5.628 5.862 1.00 0.00 C ATOM 420 O ARG A 28 -5.473 -6.596 5.151 1.00 0.00 O ATOM 421 CB ARG A 28 -5.296 -6.392 8.259 1.00 0.00 C ATOM 422 CG ARG A 28 -4.389 -6.624 9.464 1.00 0.00 C ATOM 423 CD ARG A 28 -4.255 -5.327 10.262 1.00 0.00 C ATOM 424 NE ARG A 28 -3.980 -5.761 11.660 1.00 0.00 N ATOM 425 CZ ARG A 28 -2.866 -6.381 11.946 1.00 0.00 C ATOM 426 NH1 ARG A 28 -1.871 -6.362 11.101 1.00 0.00 N ATOM 427 NH2 ARG A 28 -2.747 -7.015 13.081 1.00 0.00 N ATOM 0 H ARG A 28 -4.874 -3.924 8.212 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.597 -6.318 6.891 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.136 -5.756 8.537 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.713 -7.338 7.913 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.801 -7.411 10.096 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.407 -6.962 9.133 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.446 -4.707 9.875 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.167 -4.733 10.205 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.662 -5.574 12.395 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.963 -5.863 10.216 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.002 -6.846 11.326 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.523 -7.026 13.743 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.878 -7.500 13.306 1.00 0.00 H new ATOM 441 N GLN A 29 -5.776 -4.456 5.556 1.00 0.00 N ATOM 442 CA GLN A 29 -6.565 -4.245 4.311 1.00 0.00 C ATOM 443 C GLN A 29 -7.964 -4.829 4.457 1.00 0.00 C ATOM 444 O GLN A 29 -8.458 -5.520 3.587 1.00 0.00 O ATOM 445 CB GLN A 29 -5.796 -4.959 3.208 1.00 0.00 C ATOM 446 CG GLN A 29 -4.300 -4.674 3.350 1.00 0.00 C ATOM 447 CD GLN A 29 -3.524 -5.988 3.446 1.00 0.00 C ATOM 448 OE1 GLN A 29 -2.918 -6.277 4.459 1.00 0.00 O ATOM 449 NE2 GLN A 29 -3.514 -6.801 2.425 1.00 0.00 N ATOM 0 H GLN A 29 -5.652 -3.620 6.127 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.689 -3.185 4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.978 -6.032 3.262 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.148 -4.625 2.232 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.949 -4.096 2.495 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.119 -4.070 4.239 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.023 -6.558 1.575 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.998 -7.679 2.477 1.00 0.00 H new ATOM 458 N ALA A 30 -8.614 -4.532 5.543 1.00 0.00 N ATOM 459 CA ALA A 30 -9.996 -5.035 5.749 1.00 0.00 C ATOM 460 C ALA A 30 -10.788 -4.890 4.446 1.00 0.00 C ATOM 461 O ALA A 30 -11.719 -5.623 4.181 1.00 0.00 O ATOM 462 CB ALA A 30 -10.553 -4.117 6.832 1.00 0.00 C ATOM 0 H ALA A 30 -8.245 -3.959 6.302 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.045 -6.086 6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.579 -4.405 7.061 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.943 -4.203 7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.536 -3.086 6.479 1.00 0.00 H new ATOM 468 N GLY A 31 -10.412 -3.939 3.636 1.00 0.00 N ATOM 469 CA GLY A 31 -11.114 -3.711 2.342 1.00 0.00 C ATOM 470 C GLY A 31 -10.599 -2.398 1.751 1.00 0.00 C ATOM 471 O GLY A 31 -11.347 -1.605 1.221 1.00 0.00 O ATOM 0 H GLY A 31 -9.637 -3.301 3.819 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.927 -4.537 1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.192 -3.663 2.496 1.00 0.00 H new ATOM 475 N ALA A 32 -9.323 -2.151 1.875 1.00 0.00 N ATOM 476 CA ALA A 32 -8.752 -0.869 1.370 1.00 0.00 C ATOM 477 C ALA A 32 -8.134 -0.999 -0.021 1.00 0.00 C ATOM 478 O ALA A 32 -7.701 -2.056 -0.436 1.00 0.00 O ATOM 479 CB ALA A 32 -7.651 -0.530 2.373 1.00 0.00 C ATOM 0 H ALA A 32 -8.649 -2.784 2.306 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.531 -0.111 1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.170 0.404 2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.085 -0.421 3.367 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.911 -1.331 2.386 1.00 0.00 H new ATOM 485 N ALA A 33 -8.046 0.107 -0.714 1.00 0.00 N ATOM 486 CA ALA A 33 -7.403 0.117 -2.061 1.00 0.00 C ATOM 487 C ALA A 33 -6.315 1.187 -2.043 1.00 0.00 C ATOM 488 O ALA A 33 -6.324 2.063 -1.204 1.00 0.00 O ATOM 489 CB ALA A 33 -8.502 0.462 -3.069 1.00 0.00 C ATOM 0 H ALA A 33 -8.396 1.012 -0.400 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.950 -0.838 -2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.081 0.482 -4.074 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.289 -0.290 -3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.920 1.440 -2.831 1.00 0.00 H new ATOM 495 N LEU A 34 -5.353 1.111 -2.915 1.00 0.00 N ATOM 496 CA LEU A 34 -4.269 2.124 -2.870 1.00 0.00 C ATOM 497 C LEU A 34 -3.689 2.373 -4.266 1.00 0.00 C ATOM 498 O LEU A 34 -3.708 1.510 -5.122 1.00 0.00 O ATOM 499 CB LEU A 34 -3.234 1.503 -1.913 1.00 0.00 C ATOM 500 CG LEU A 34 -1.840 1.415 -2.555 1.00 0.00 C ATOM 501 CD1 LEU A 34 -0.811 1.024 -1.490 1.00 0.00 C ATOM 502 CD2 LEU A 34 -1.840 0.352 -3.658 1.00 0.00 C ATOM 0 H LEU A 34 -5.270 0.404 -3.645 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.608 3.103 -2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.177 2.100 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.563 0.506 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.585 2.385 -2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.178 0.961 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.800 1.776 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.077 0.056 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.849 0.295 -4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.100 -0.616 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.571 0.620 -4.421 1.00 0.00 H new ATOM 514 N ALA A 35 -3.143 3.533 -4.494 1.00 0.00 N ATOM 515 CA ALA A 35 -2.533 3.800 -5.821 1.00 0.00 C ATOM 516 C ALA A 35 -1.068 4.162 -5.623 1.00 0.00 C ATOM 517 O ALA A 35 -0.742 5.179 -5.044 1.00 0.00 O ATOM 518 CB ALA A 35 -3.316 4.973 -6.410 1.00 0.00 C ATOM 0 H ALA A 35 -3.093 4.301 -3.824 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.574 2.938 -6.487 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.915 5.221 -7.393 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.366 4.698 -6.506 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.226 5.837 -5.752 1.00 0.00 H new ATOM 524 N ILE A 36 -0.179 3.333 -6.090 1.00 0.00 N ATOM 525 CA ILE A 36 1.271 3.641 -5.909 1.00 0.00 C ATOM 526 C ILE A 36 1.826 4.332 -7.153 1.00 0.00 C ATOM 527 O ILE A 36 1.600 3.911 -8.263 1.00 0.00 O ATOM 528 CB ILE A 36 1.982 2.303 -5.694 1.00 0.00 C ATOM 529 CG1 ILE A 36 1.282 1.502 -4.592 1.00 0.00 C ATOM 530 CG2 ILE A 36 3.428 2.580 -5.271 1.00 0.00 C ATOM 531 CD1 ILE A 36 2.087 0.232 -4.301 1.00 0.00 C ATOM 0 H ILE A 36 -0.386 2.465 -6.584 1.00 0.00 H new ATOM 0 HA ILE A 36 1.423 4.310 -5.062 1.00 0.00 H new ATOM 0 HB ILE A 36 1.958 1.727 -6.619 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.193 2.105 -3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.270 1.242 -4.902 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.948 1.635 -5.114 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.933 3.147 -6.053 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.432 3.155 -4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.592 -0.341 -3.517 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.153 -0.372 -5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.090 0.504 -3.973 1.00 0.00 H new ATOM 543 N ASN A 37 2.550 5.396 -6.977 1.00 0.00 N ATOM 544 CA ASN A 37 3.112 6.110 -8.157 1.00 0.00 C ATOM 545 C ASN A 37 1.975 6.559 -9.081 1.00 0.00 C ATOM 546 O ASN A 37 2.198 6.853 -10.234 1.00 0.00 O ATOM 547 CB ASN A 37 4.012 5.091 -8.866 1.00 0.00 C ATOM 548 CG ASN A 37 5.233 4.793 -7.997 1.00 0.00 C ATOM 549 OD1 ASN A 37 5.365 3.609 -7.463 1.00 0.00 O flip ATOM 550 ND2 ASN A 37 6.077 5.645 -7.802 1.00 0.00 N flip ATOM 0 H ASN A 37 2.778 5.804 -6.070 1.00 0.00 H new ATOM 0 HA ASN A 37 3.670 7.002 -7.871 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.457 4.173 -9.058 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.328 5.481 -9.833 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.974 6.570 -8.219 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.889 5.435 -7.221 1.00 0.00 H new ATOM 557 N GLN A 38 0.766 6.602 -8.557 1.00 0.00 N ATOM 558 CA GLN A 38 -0.450 7.019 -9.342 1.00 0.00 C ATOM 559 C GLN A 38 -1.126 5.804 -9.982 1.00 0.00 C ATOM 560 O GLN A 38 -2.111 5.931 -10.682 1.00 0.00 O ATOM 561 CB GLN A 38 0.007 8.056 -10.392 1.00 0.00 C ATOM 562 CG GLN A 38 0.278 7.390 -11.748 1.00 0.00 C ATOM 563 CD GLN A 38 -1.021 7.294 -12.551 1.00 0.00 C ATOM 564 OE1 GLN A 38 -1.729 8.270 -12.708 1.00 0.00 O ATOM 565 NE2 GLN A 38 -1.367 6.146 -13.068 1.00 0.00 N ATOM 0 H GLN A 38 0.567 6.357 -7.587 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.198 7.471 -8.690 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.759 8.823 -10.507 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.910 8.557 -10.043 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.018 7.966 -12.304 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.697 6.395 -11.597 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.773 5.327 -12.936 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.231 6.068 -13.604 1.00 0.00 H new ATOM 574 N GLN A 39 -0.639 4.623 -9.718 1.00 0.00 N ATOM 575 CA GLN A 39 -1.302 3.419 -10.293 1.00 0.00 C ATOM 576 C GLN A 39 -2.228 2.798 -9.245 1.00 0.00 C ATOM 577 O GLN A 39 -1.790 2.219 -8.272 1.00 0.00 O ATOM 578 CB GLN A 39 -0.179 2.441 -10.667 1.00 0.00 C ATOM 579 CG GLN A 39 0.405 1.808 -9.405 1.00 0.00 C ATOM 580 CD GLN A 39 1.898 1.558 -9.608 1.00 0.00 C ATOM 581 OE1 GLN A 39 2.666 1.578 -8.667 1.00 0.00 O ATOM 582 NE2 GLN A 39 2.342 1.319 -10.810 1.00 0.00 N ATOM 0 H GLN A 39 0.179 4.440 -9.137 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.905 3.667 -11.166 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.566 1.665 -11.327 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.603 2.965 -11.216 1.00 0.00 H new ATOM 0 HG2 GLN A 39 0.248 2.465 -8.549 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.106 0.870 -9.185 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.695 1.303 -11.599 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.336 1.148 -10.962 1.00 0.00 H new ATOM 591 N ILE A 40 -3.508 2.907 -9.419 1.00 0.00 N ATOM 592 CA ILE A 40 -4.410 2.300 -8.406 1.00 0.00 C ATOM 593 C ILE A 40 -4.395 0.784 -8.588 1.00 0.00 C ATOM 594 O ILE A 40 -4.924 0.260 -9.548 1.00 0.00 O ATOM 595 CB ILE A 40 -5.812 2.863 -8.692 1.00 0.00 C ATOM 596 CG1 ILE A 40 -5.988 4.202 -7.976 1.00 0.00 C ATOM 597 CG2 ILE A 40 -6.879 1.885 -8.184 1.00 0.00 C ATOM 598 CD1 ILE A 40 -5.429 5.327 -8.846 1.00 0.00 C ATOM 0 H ILE A 40 -3.965 3.379 -10.200 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.105 2.526 -7.384 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.922 3.002 -9.767 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.043 4.379 -7.769 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.474 4.182 -7.015 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.870 2.289 -8.389 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.765 0.927 -8.691 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.760 1.743 -7.110 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.556 6.281 -8.333 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.369 5.152 -9.030 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.963 5.352 -9.796 1.00 0.00 H new ATOM 610 N VAL A 41 -3.795 0.075 -7.678 1.00 0.00 N ATOM 611 CA VAL A 41 -3.753 -1.403 -7.811 1.00 0.00 C ATOM 612 C VAL A 41 -4.849 -2.030 -6.998 1.00 0.00 C ATOM 613 O VAL A 41 -5.191 -1.552 -5.936 1.00 0.00 O ATOM 614 CB VAL A 41 -2.439 -1.844 -7.213 1.00 0.00 C ATOM 615 CG1 VAL A 41 -2.326 -3.363 -7.346 1.00 0.00 C ATOM 616 CG2 VAL A 41 -1.300 -1.162 -7.958 1.00 0.00 C ATOM 0 H VAL A 41 -3.333 0.453 -6.851 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.867 -1.694 -8.855 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.387 -1.570 -6.159 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.381 -3.696 -6.918 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.152 -3.837 -6.816 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.365 -3.640 -8.400 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.347 -1.476 -7.532 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.336 -1.441 -9.011 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.401 -0.081 -7.865 1.00 0.00 H new ATOM 626 N PRO A 42 -5.340 -3.104 -7.497 1.00 0.00 N ATOM 627 CA PRO A 42 -6.374 -3.820 -6.768 1.00 0.00 C ATOM 628 C PRO A 42 -5.805 -4.539 -5.559 1.00 0.00 C ATOM 629 O PRO A 42 -4.908 -5.356 -5.636 1.00 0.00 O ATOM 630 CB PRO A 42 -6.931 -4.787 -7.767 1.00 0.00 C ATOM 631 CG PRO A 42 -5.857 -4.982 -8.789 1.00 0.00 C ATOM 632 CD PRO A 42 -5.001 -3.744 -8.773 1.00 0.00 C ATOM 0 HA PRO A 42 -7.137 -3.150 -6.371 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.194 -5.732 -7.292 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.840 -4.396 -8.225 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.261 -5.865 -8.558 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.289 -5.139 -9.777 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.940 -3.990 -8.829 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.222 -3.093 -9.619 1.00 0.00 H new ATOM 640 N ARG A 43 -6.363 -4.209 -4.457 1.00 0.00 N ATOM 641 CA ARG A 43 -5.969 -4.799 -3.141 1.00 0.00 C ATOM 642 C ARG A 43 -5.340 -6.183 -3.268 1.00 0.00 C ATOM 643 O ARG A 43 -4.222 -6.405 -2.861 1.00 0.00 O ATOM 644 CB ARG A 43 -7.275 -4.913 -2.353 1.00 0.00 C ATOM 645 CG ARG A 43 -8.425 -5.347 -3.265 1.00 0.00 C ATOM 646 CD ARG A 43 -8.988 -6.674 -2.765 1.00 0.00 C ATOM 647 NE ARG A 43 -10.383 -6.367 -2.354 1.00 0.00 N ATOM 648 CZ ARG A 43 -11.003 -7.158 -1.524 1.00 0.00 C ATOM 649 NH1 ARG A 43 -11.041 -8.442 -1.757 1.00 0.00 N ATOM 650 NH2 ARG A 43 -11.580 -6.668 -0.460 1.00 0.00 N ATOM 0 H ARG A 43 -7.115 -3.522 -4.393 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.216 -4.172 -2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.155 -5.634 -1.544 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.512 -3.954 -1.893 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.206 -4.587 -3.272 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.072 -5.451 -4.291 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.964 -7.433 -3.547 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.406 -7.060 -1.928 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.854 -5.540 -2.720 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.586 -8.823 -2.587 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.525 -9.064 -1.109 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.546 -5.665 -0.278 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.065 -7.288 0.189 1.00 0.00 H new ATOM 664 N GLU A 44 -6.063 -7.120 -3.789 1.00 0.00 N ATOM 665 CA GLU A 44 -5.531 -8.497 -3.903 1.00 0.00 C ATOM 666 C GLU A 44 -4.085 -8.506 -4.410 1.00 0.00 C ATOM 667 O GLU A 44 -3.246 -9.207 -3.882 1.00 0.00 O ATOM 668 CB GLU A 44 -6.481 -9.165 -4.878 1.00 0.00 C ATOM 669 CG GLU A 44 -5.874 -10.477 -5.374 1.00 0.00 C ATOM 670 CD GLU A 44 -5.369 -10.294 -6.804 1.00 0.00 C ATOM 671 OE1 GLU A 44 -6.136 -9.821 -7.626 1.00 0.00 O ATOM 672 OE2 GLU A 44 -4.222 -10.628 -7.053 1.00 0.00 O ATOM 0 H GLU A 44 -7.010 -6.992 -4.145 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.486 -9.014 -2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.439 -9.357 -4.394 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.677 -8.502 -5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.054 -10.780 -4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.619 -11.272 -5.339 1.00 0.00 H new ATOM 679 N GLN A 45 -3.776 -7.734 -5.411 1.00 0.00 N ATOM 680 CA GLN A 45 -2.368 -7.717 -5.913 1.00 0.00 C ATOM 681 C GLN A 45 -1.418 -7.344 -4.780 1.00 0.00 C ATOM 682 O GLN A 45 -0.274 -7.747 -4.762 1.00 0.00 O ATOM 683 CB GLN A 45 -2.320 -6.657 -7.015 1.00 0.00 C ATOM 684 CG GLN A 45 -2.861 -7.242 -8.318 1.00 0.00 C ATOM 685 CD GLN A 45 -1.693 -7.559 -9.252 1.00 0.00 C ATOM 686 OE1 GLN A 45 -1.061 -8.590 -9.124 1.00 0.00 O ATOM 687 NE2 GLN A 45 -1.373 -6.709 -10.188 1.00 0.00 N ATOM 0 H GLN A 45 -4.425 -7.119 -5.901 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.065 -8.693 -6.291 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.910 -5.788 -6.723 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.295 -6.313 -7.157 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.434 -8.146 -8.114 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.540 -6.534 -8.793 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.904 -5.844 -10.295 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.592 -6.909 -10.813 1.00 0.00 H new ATOM 696 N TRP A 46 -1.881 -6.576 -3.837 1.00 0.00 N ATOM 697 CA TRP A 46 -1.014 -6.180 -2.709 1.00 0.00 C ATOM 698 C TRP A 46 -0.188 -7.365 -2.228 1.00 0.00 C ATOM 699 O TRP A 46 0.894 -7.213 -1.699 1.00 0.00 O ATOM 700 CB TRP A 46 -1.985 -5.762 -1.610 1.00 0.00 C ATOM 701 CG TRP A 46 -2.669 -4.487 -1.979 1.00 0.00 C ATOM 702 CD1 TRP A 46 -2.632 -3.892 -3.196 1.00 0.00 C ATOM 703 CD2 TRP A 46 -3.501 -3.646 -1.138 1.00 0.00 C ATOM 704 NE1 TRP A 46 -3.381 -2.730 -3.142 1.00 0.00 N ATOM 705 CE2 TRP A 46 -3.936 -2.538 -1.892 1.00 0.00 C ATOM 706 CE3 TRP A 46 -3.911 -3.740 0.200 1.00 0.00 C ATOM 707 CZ2 TRP A 46 -4.752 -1.557 -1.335 1.00 0.00 C ATOM 708 CZ3 TRP A 46 -4.737 -2.751 0.763 1.00 0.00 C ATOM 709 CH2 TRP A 46 -5.153 -1.661 -0.005 1.00 0.00 C ATOM 0 H TRP A 46 -2.831 -6.206 -3.804 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.317 -5.390 -2.988 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.725 -6.547 -1.451 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.448 -5.636 -0.670 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.106 -4.263 -4.063 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -3.508 -2.093 -3.929 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.590 -4.577 0.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.073 -0.717 -1.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.051 -2.835 1.793 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.784 -0.901 0.431 1.00 0.00 H new ATOM 720 N ALA A 47 -0.703 -8.539 -2.388 1.00 0.00 N ATOM 721 CA ALA A 47 0.027 -9.742 -1.924 1.00 0.00 C ATOM 722 C ALA A 47 1.121 -10.129 -2.917 1.00 0.00 C ATOM 723 O ALA A 47 2.049 -10.840 -2.588 1.00 0.00 O ATOM 724 CB ALA A 47 -1.049 -10.802 -1.864 1.00 0.00 C ATOM 0 H ALA A 47 -1.607 -8.722 -2.824 1.00 0.00 H new ATOM 0 HA ALA A 47 0.532 -9.594 -0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.614 -11.743 -1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.826 -10.492 -1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.484 -10.936 -2.855 1.00 0.00 H new ATOM 730 N GLN A 48 1.030 -9.651 -4.124 1.00 0.00 N ATOM 731 CA GLN A 48 2.074 -9.971 -5.130 1.00 0.00 C ATOM 732 C GLN A 48 2.557 -8.667 -5.759 1.00 0.00 C ATOM 733 O GLN A 48 3.153 -8.648 -6.818 1.00 0.00 O ATOM 734 CB GLN A 48 1.389 -10.866 -6.168 1.00 0.00 C ATOM 735 CG GLN A 48 0.247 -10.103 -6.842 1.00 0.00 C ATOM 736 CD GLN A 48 -0.403 -10.991 -7.906 1.00 0.00 C ATOM 737 OE1 GLN A 48 -1.517 -11.447 -7.736 1.00 0.00 O ATOM 738 NE2 GLN A 48 0.250 -11.258 -9.004 1.00 0.00 N ATOM 0 H GLN A 48 0.275 -9.051 -4.457 1.00 0.00 H new ATOM 0 HA GLN A 48 2.940 -10.476 -4.702 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.113 -11.190 -6.916 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.003 -11.765 -5.688 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.494 -9.805 -6.100 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.626 -9.189 -7.298 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.185 -10.876 -9.147 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.174 -11.849 -9.719 1.00 0.00 H new ATOM 747 N HIS A 49 2.284 -7.571 -5.103 1.00 0.00 N ATOM 748 CA HIS A 49 2.694 -6.245 -5.632 1.00 0.00 C ATOM 749 C HIS A 49 3.906 -5.706 -4.868 1.00 0.00 C ATOM 750 O HIS A 49 3.774 -4.882 -3.985 1.00 0.00 O ATOM 751 CB HIS A 49 1.475 -5.363 -5.398 1.00 0.00 C ATOM 752 CG HIS A 49 1.769 -3.971 -5.883 1.00 0.00 C ATOM 753 ND1 HIS A 49 2.910 -3.402 -6.393 1.00 0.00 N flip ATOM 754 CD2 HIS A 49 0.813 -2.966 -5.885 1.00 0.00 C flip ATOM 755 CE1 HIS A 49 2.671 -2.071 -6.709 1.00 0.00 C flip ATOM 756 NE2 HIS A 49 1.391 -1.859 -6.384 1.00 0.00 N flip ATOM 0 H HIS A 49 1.788 -7.541 -4.212 1.00 0.00 H new ATOM 0 HA HIS A 49 2.990 -6.285 -6.680 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.611 -5.769 -5.925 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.223 -5.345 -4.338 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.800 -3.885 -6.521 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.209 -3.056 -5.547 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.368 -1.360 -7.127 1.00 0.00 H new ATOM 764 N ILE A 50 5.081 -6.172 -5.208 1.00 0.00 N ATOM 765 CA ILE A 50 6.324 -5.725 -4.517 1.00 0.00 C ATOM 766 C ILE A 50 6.446 -4.200 -4.493 1.00 0.00 C ATOM 767 O ILE A 50 6.310 -3.522 -5.493 1.00 0.00 O ATOM 768 CB ILE A 50 7.464 -6.326 -5.338 1.00 0.00 C ATOM 769 CG1 ILE A 50 7.461 -7.845 -5.169 1.00 0.00 C ATOM 770 CG2 ILE A 50 8.799 -5.759 -4.854 1.00 0.00 C ATOM 771 CD1 ILE A 50 7.863 -8.203 -3.737 1.00 0.00 C ATOM 0 H ILE A 50 5.232 -6.856 -5.949 1.00 0.00 H new ATOM 0 HA ILE A 50 6.332 -6.046 -3.475 1.00 0.00 H new ATOM 0 HB ILE A 50 7.328 -6.075 -6.390 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.471 -8.244 -5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.153 -8.301 -5.877 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.611 -6.189 -5.441 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.799 -4.676 -4.974 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.940 -6.008 -3.802 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.860 -9.287 -3.618 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.862 -7.818 -3.533 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.153 -7.760 -3.038 1.00 0.00 H new ATOM 783 N VAL A 51 6.697 -3.678 -3.329 1.00 0.00 N ATOM 784 CA VAL A 51 6.836 -2.206 -3.132 1.00 0.00 C ATOM 785 C VAL A 51 8.319 -1.818 -3.183 1.00 0.00 C ATOM 786 O VAL A 51 9.181 -2.589 -2.809 1.00 0.00 O ATOM 787 CB VAL A 51 6.243 -1.990 -1.743 1.00 0.00 C ATOM 788 CG1 VAL A 51 6.064 -0.503 -1.480 1.00 0.00 C ATOM 789 CG2 VAL A 51 4.879 -2.686 -1.675 1.00 0.00 C ATOM 0 H VAL A 51 6.816 -4.226 -2.477 1.00 0.00 H new ATOM 0 HA VAL A 51 6.341 -1.602 -3.892 1.00 0.00 H new ATOM 0 HB VAL A 51 6.914 -2.405 -0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.640 -0.358 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.031 -0.004 -1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.392 -0.080 -2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.444 -2.539 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.216 -2.262 -2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.005 -3.753 -1.861 1.00 0.00 H new ATOM 799 N GLN A 52 8.631 -0.651 -3.685 1.00 0.00 N ATOM 800 CA GLN A 52 10.066 -0.250 -3.804 1.00 0.00 C ATOM 801 C GLN A 52 10.463 0.850 -2.835 1.00 0.00 C ATOM 802 O GLN A 52 9.670 1.685 -2.455 1.00 0.00 O ATOM 803 CB GLN A 52 10.191 0.314 -5.202 1.00 0.00 C ATOM 804 CG GLN A 52 9.812 -0.756 -6.229 1.00 0.00 C ATOM 805 CD GLN A 52 8.345 -0.575 -6.625 1.00 0.00 C ATOM 806 OE1 GLN A 52 7.966 0.461 -7.132 1.00 0.00 O ATOM 807 NE2 GLN A 52 7.497 -1.542 -6.404 1.00 0.00 N ATOM 0 H GLN A 52 7.958 0.040 -4.017 1.00 0.00 H new ATOM 0 HA GLN A 52 10.704 -1.108 -3.590 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.543 1.183 -5.313 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.212 0.654 -5.377 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.451 -0.676 -7.108 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.968 -1.750 -5.811 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.816 -2.412 -5.978 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.516 -1.428 -6.657 1.00 0.00 H new ATOM 816 N ASP A 53 11.710 0.875 -2.466 1.00 0.00 N ATOM 817 CA ASP A 53 12.190 1.935 -1.551 1.00 0.00 C ATOM 818 C ASP A 53 11.916 3.300 -2.140 1.00 0.00 C ATOM 819 O ASP A 53 12.398 3.674 -3.191 1.00 0.00 O ATOM 820 CB ASP A 53 13.675 1.703 -1.380 1.00 0.00 C ATOM 821 CG ASP A 53 14.292 2.883 -0.625 1.00 0.00 C ATOM 822 OD1 ASP A 53 13.545 3.756 -0.212 1.00 0.00 O ATOM 823 OD2 ASP A 53 15.501 2.896 -0.471 1.00 0.00 O ATOM 0 H ASP A 53 12.418 0.203 -2.761 1.00 0.00 H new ATOM 0 HA ASP A 53 11.678 1.899 -0.589 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.849 0.776 -0.833 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.151 1.592 -2.354 1.00 0.00 H new ATOM 828 N GLY A 54 11.092 4.006 -1.460 1.00 0.00 N ATOM 829 CA GLY A 54 10.661 5.349 -1.913 1.00 0.00 C ATOM 830 C GLY A 54 9.267 5.163 -2.493 1.00 0.00 C ATOM 831 O GLY A 54 8.760 5.980 -3.235 1.00 0.00 O ATOM 0 H GLY A 54 10.679 3.706 -0.577 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.648 6.056 -1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.346 5.748 -2.661 1.00 0.00 H new ATOM 835 N ASP A 55 8.665 4.047 -2.168 1.00 0.00 N ATOM 836 CA ASP A 55 7.312 3.726 -2.698 1.00 0.00 C ATOM 837 C ASP A 55 6.256 4.762 -2.304 1.00 0.00 C ATOM 838 O ASP A 55 6.084 5.089 -1.151 1.00 0.00 O ATOM 839 CB ASP A 55 6.948 2.385 -2.081 1.00 0.00 C ATOM 840 CG ASP A 55 5.522 2.030 -2.495 1.00 0.00 C ATOM 841 OD1 ASP A 55 5.354 1.522 -3.590 1.00 0.00 O ATOM 842 OD2 ASP A 55 4.620 2.276 -1.712 1.00 0.00 O ATOM 0 H ASP A 55 9.061 3.338 -1.550 1.00 0.00 H new ATOM 0 HA ASP A 55 7.333 3.715 -3.788 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.642 1.614 -2.415 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.025 2.435 -0.995 1.00 0.00 H new ATOM 847 N GLN A 56 5.512 5.232 -3.261 1.00 0.00 N ATOM 848 CA GLN A 56 4.418 6.201 -2.972 1.00 0.00 C ATOM 849 C GLN A 56 3.085 5.453 -2.971 1.00 0.00 C ATOM 850 O GLN A 56 2.927 4.470 -3.658 1.00 0.00 O ATOM 851 CB GLN A 56 4.473 7.213 -4.116 1.00 0.00 C ATOM 852 CG GLN A 56 3.117 7.901 -4.242 1.00 0.00 C ATOM 853 CD GLN A 56 3.295 9.321 -4.777 1.00 0.00 C ATOM 854 OE1 GLN A 56 4.299 9.632 -5.385 1.00 0.00 O ATOM 855 NE2 GLN A 56 2.350 10.200 -4.583 1.00 0.00 N ATOM 0 H GLN A 56 5.615 4.984 -4.245 1.00 0.00 H new ATOM 0 HA GLN A 56 4.523 6.692 -2.004 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.253 7.951 -3.928 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.728 6.711 -5.049 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.472 7.331 -4.910 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.624 7.929 -3.271 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.507 9.938 -4.072 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.455 11.149 -4.942 1.00 0.00 H new ATOM 864 N ILE A 57 2.134 5.879 -2.190 1.00 0.00 N ATOM 865 CA ILE A 57 0.843 5.139 -2.163 1.00 0.00 C ATOM 866 C ILE A 57 -0.368 6.064 -2.074 1.00 0.00 C ATOM 867 O ILE A 57 -0.350 7.074 -1.400 1.00 0.00 O ATOM 868 CB ILE A 57 0.908 4.316 -0.891 1.00 0.00 C ATOM 869 CG1 ILE A 57 1.978 3.238 -1.015 1.00 0.00 C ATOM 870 CG2 ILE A 57 -0.452 3.668 -0.633 1.00 0.00 C ATOM 871 CD1 ILE A 57 2.156 2.573 0.348 1.00 0.00 C ATOM 0 H ILE A 57 2.191 6.693 -1.579 1.00 0.00 H new ATOM 0 HA ILE A 57 0.721 4.557 -3.076 1.00 0.00 H new ATOM 0 HB ILE A 57 1.164 4.969 -0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.687 2.499 -1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.919 3.675 -1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.406 3.076 0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.210 4.444 -0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.712 3.021 -1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.919 1.798 0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.464 3.320 1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.212 2.126 0.661 1.00 0.00 H new ATOM 883 N LEU A 58 -1.451 5.668 -2.674 1.00 0.00 N ATOM 884 CA LEU A 58 -2.700 6.453 -2.542 1.00 0.00 C ATOM 885 C LEU A 58 -3.598 5.624 -1.620 1.00 0.00 C ATOM 886 O LEU A 58 -3.474 4.420 -1.582 1.00 0.00 O ATOM 887 CB LEU A 58 -3.275 6.590 -3.951 1.00 0.00 C ATOM 888 CG LEU A 58 -4.025 7.920 -4.059 1.00 0.00 C ATOM 889 CD1 LEU A 58 -4.129 8.330 -5.527 1.00 0.00 C ATOM 890 CD2 LEU A 58 -5.429 7.768 -3.469 1.00 0.00 C ATOM 0 H LEU A 58 -1.523 4.831 -3.252 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.578 7.453 -2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.474 6.549 -4.689 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.949 5.760 -4.165 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.482 8.687 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.663 9.277 -5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.129 8.443 -5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.670 7.563 -6.082 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.961 8.716 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.973 7.000 -4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.354 7.479 -2.421 1.00 0.00 H new ATOM 902 N LEU A 59 -4.436 6.218 -0.821 1.00 0.00 N ATOM 903 CA LEU A 59 -5.234 5.371 0.117 1.00 0.00 C ATOM 904 C LEU A 59 -6.732 5.414 -0.186 1.00 0.00 C ATOM 905 O LEU A 59 -7.339 6.464 -0.261 1.00 0.00 O ATOM 906 CB LEU A 59 -4.945 5.970 1.500 1.00 0.00 C ATOM 907 CG LEU A 59 -5.485 5.067 2.620 1.00 0.00 C ATOM 908 CD1 LEU A 59 -6.987 5.300 2.803 1.00 0.00 C ATOM 909 CD2 LEU A 59 -5.237 3.594 2.278 1.00 0.00 C ATOM 0 H LEU A 59 -4.604 7.223 -0.772 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.959 4.319 0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.870 6.104 1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.400 6.958 1.574 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.965 5.313 3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.361 4.656 3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.164 6.343 3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.507 5.068 1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.624 2.964 3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.744 3.347 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.167 3.422 2.166 1.00 0.00 H new ATOM 921 N PHE A 60 -7.329 4.260 -0.311 1.00 0.00 N ATOM 922 CA PHE A 60 -8.795 4.179 -0.554 1.00 0.00 C ATOM 923 C PHE A 60 -9.433 3.582 0.697 1.00 0.00 C ATOM 924 O PHE A 60 -8.884 2.678 1.300 1.00 0.00 O ATOM 925 CB PHE A 60 -8.973 3.239 -1.749 1.00 0.00 C ATOM 926 CG PHE A 60 -8.391 3.864 -2.992 1.00 0.00 C ATOM 927 CD1 PHE A 60 -7.013 4.080 -3.089 1.00 0.00 C ATOM 928 CD2 PHE A 60 -9.231 4.216 -4.055 1.00 0.00 C ATOM 929 CE1 PHE A 60 -6.477 4.648 -4.247 1.00 0.00 C ATOM 930 CE2 PHE A 60 -8.693 4.784 -5.215 1.00 0.00 C ATOM 931 CZ PHE A 60 -7.314 4.999 -5.311 1.00 0.00 C ATOM 0 H PHE A 60 -6.855 3.358 -0.254 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.253 5.146 -0.760 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -8.483 2.286 -1.548 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.031 3.027 -1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -6.364 3.808 -2.270 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -10.295 4.049 -3.980 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -5.413 4.817 -4.321 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -9.341 5.056 -6.035 1.00 0.00 H new ATOM 0 HZ PHE A 60 -6.896 5.436 -6.206 1.00 0.00 H new ATOM 941 N GLN A 61 -10.568 4.077 1.107 1.00 0.00 N ATOM 942 CA GLN A 61 -11.195 3.537 2.347 1.00 0.00 C ATOM 943 C GLN A 61 -12.095 2.342 2.032 1.00 0.00 C ATOM 944 O GLN A 61 -12.557 2.162 0.924 1.00 0.00 O ATOM 945 CB GLN A 61 -12.003 4.707 2.933 1.00 0.00 C ATOM 946 CG GLN A 61 -13.409 4.751 2.325 1.00 0.00 C ATOM 947 CD GLN A 61 -13.311 4.726 0.799 1.00 0.00 C ATOM 948 OE1 GLN A 61 -12.442 5.352 0.224 1.00 0.00 O ATOM 949 NE2 GLN A 61 -14.174 4.030 0.112 1.00 0.00 N ATOM 0 H GLN A 61 -11.084 4.824 0.643 1.00 0.00 H new ATOM 0 HA GLN A 61 -10.450 3.170 3.053 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -12.072 4.602 4.016 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -11.487 5.647 2.737 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -13.994 3.901 2.676 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -13.929 5.652 2.651 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -14.904 3.504 0.593 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -14.119 4.011 -0.906 1.00 0.00 H new ATOM 958 N VAL A 62 -12.317 1.514 3.011 1.00 0.00 N ATOM 959 CA VAL A 62 -13.156 0.306 2.806 1.00 0.00 C ATOM 960 C VAL A 62 -14.536 0.675 2.261 1.00 0.00 C ATOM 961 O VAL A 62 -15.101 1.697 2.600 1.00 0.00 O ATOM 962 CB VAL A 62 -13.256 -0.327 4.194 1.00 0.00 C ATOM 963 CG1 VAL A 62 -14.081 0.574 5.115 1.00 0.00 C ATOM 964 CG2 VAL A 62 -13.926 -1.698 4.084 1.00 0.00 C ATOM 0 H VAL A 62 -11.948 1.625 3.955 1.00 0.00 H new ATOM 0 HA VAL A 62 -12.727 -0.376 2.072 1.00 0.00 H new ATOM 0 HB VAL A 62 -12.255 -0.444 4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -14.150 0.119 6.103 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.600 1.549 5.197 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -15.082 0.697 4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -13.997 -2.149 5.074 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -14.926 -1.582 3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -13.333 -2.342 3.434 1.00 0.00 H new ATOM 974 N ILE A 63 -15.091 -0.171 1.433 1.00 0.00 N ATOM 975 CA ILE A 63 -16.444 0.097 0.877 1.00 0.00 C ATOM 976 C ILE A 63 -17.362 -1.037 1.299 1.00 0.00 C ATOM 977 O ILE A 63 -17.409 -2.084 0.684 1.00 0.00 O ATOM 978 CB ILE A 63 -16.288 0.140 -0.649 1.00 0.00 C ATOM 979 CG1 ILE A 63 -15.469 -1.069 -1.140 1.00 0.00 C ATOM 980 CG2 ILE A 63 -15.596 1.444 -1.053 1.00 0.00 C ATOM 981 CD1 ILE A 63 -13.968 -0.814 -0.961 1.00 0.00 C ATOM 0 H ILE A 63 -14.660 -1.040 1.118 1.00 0.00 H new ATOM 0 HA ILE A 63 -16.869 1.035 1.235 1.00 0.00 H new ATOM 0 HB ILE A 63 -17.275 0.096 -1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -15.760 -1.961 -0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -15.688 -1.261 -2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.484 1.476 -2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -16.197 2.292 -0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.613 1.494 -0.585 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -13.407 -1.680 -1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.677 0.065 -1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.751 -0.646 0.094 1.00 0.00 H new ATOM 993 N ALA A 64 -18.073 -0.847 2.360 1.00 0.00 N ATOM 994 CA ALA A 64 -18.965 -1.923 2.845 1.00 0.00 C ATOM 995 C ALA A 64 -20.406 -1.425 2.949 1.00 0.00 C ATOM 996 O ALA A 64 -20.660 -0.242 3.053 1.00 0.00 O ATOM 997 CB ALA A 64 -18.404 -2.272 4.220 1.00 0.00 C ATOM 0 H ALA A 64 -18.077 0.008 2.916 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.994 -2.783 2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -19.002 -3.067 4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -17.372 -2.608 4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -18.437 -1.391 4.861 1.00 0.00 H new ATOM 1003 N GLY A 65 -21.349 -2.324 2.929 1.00 0.00 N ATOM 1004 CA GLY A 65 -22.776 -1.913 3.037 1.00 0.00 C ATOM 1005 C GLY A 65 -23.267 -2.200 4.455 1.00 0.00 C ATOM 1006 O GLY A 65 -24.432 -2.468 4.680 1.00 0.00 O ATOM 0 H GLY A 65 -21.193 -3.328 2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -22.881 -0.852 2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -23.381 -2.457 2.311 1.00 0.00 H new ATOM 1010 N GLY A 66 -22.384 -2.150 5.415 1.00 0.00 N ATOM 1011 CA GLY A 66 -22.788 -2.424 6.821 1.00 0.00 C ATOM 1012 C GLY A 66 -22.055 -3.668 7.326 1.00 0.00 C ATOM 1013 O GLY A 66 -21.221 -3.526 8.205 1.00 0.00 O ATOM 1014 OXT GLY A 66 -22.340 -4.742 6.823 1.00 0.00 O ATOM 0 H GLY A 66 -21.397 -1.930 5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -22.552 -1.568 7.453 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -23.866 -2.575 6.879 1.00 0.00 H new TER 1018 GLY A 66