USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=7 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 12 CYS SG : rot 73:sc= -10.5! USER MOD Set 1.2: A 16 GLN : amide:sc= -7.39! C(o=-18!,f=-26!) USER MOD Set 2.1: A 8 GLN : amide:sc= -0.212 K(o=-6.4,f=-9.3) USER MOD Set 2.2: A 10 MET CE :methyl 139:sc= -6.16! (180deg=-6.18!) USER MOD Single : A 1 MET CE :methyl -178:sc= -11.3! (180deg=-11.5!) USER MOD Single : A 1 MET N :NH3+ 175:sc= 1.23 (180deg=1.09) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 6 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.9!) USER MOD Single : A 11 GLN :FLIP amide:sc= -1.27 F(o=-3.5,f=-1.3) USER MOD Single : A 17 THR OG1 : rot 119:sc= 0.136 USER MOD Single : A 19 HIS : no HD1:sc= -0.406 K(o=-0.41,f=-1.7!) USER MOD Single : A 24 GLN : amide:sc= -0.913 K(o=-0.91,f=-2!) USER MOD Single : A 27 GLN : amide:sc= -3 K(o=-3,f=-3.8!) USER MOD Single : A 29 GLN : amide:sc= -0.105 K(o=-0.1,f=-1.6) USER MOD Single : A 37 ASN : amide:sc= -1.34 K(o=-1.3,f=-5.3!) USER MOD Single : A 38 GLN : amide:sc= -0.931 K(o=-0.93,f=-3.7!) USER MOD Single : A 39 GLN : amide:sc= -0.397 K(o=-0.4,f=-3.2!) USER MOD Single : A 45 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.39) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -2.85! C(o=-4.1!,f=-2.8!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 61 GLN : amide:sc= -0.237 K(o=-0.24,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.867 0.914 -1.991 1.00 0.00 N ATOM 2 CA MET A 1 -13.050 1.708 -1.029 1.00 0.00 C ATOM 3 C MET A 1 -12.360 2.858 -1.758 1.00 0.00 C ATOM 4 O MET A 1 -12.500 3.025 -2.954 1.00 0.00 O ATOM 5 CB MET A 1 -12.016 0.713 -0.471 1.00 0.00 C ATOM 6 CG MET A 1 -10.659 0.882 -1.173 1.00 0.00 C ATOM 7 SD MET A 1 -9.489 -0.377 -0.603 1.00 0.00 S ATOM 8 CE MET A 1 -9.231 0.290 1.052 1.00 0.00 C ATOM 0 H1 MET A 1 -14.266 0.085 -1.506 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.640 1.504 -2.360 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.266 0.599 -2.779 1.00 0.00 H new ATOM 0 HA MET A 1 -13.651 2.152 -0.235 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.897 0.869 0.601 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.376 -0.307 -0.607 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.789 0.804 -2.252 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.260 1.876 -0.971 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.501 -0.323 1.581 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.861 1.313 0.979 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.174 0.284 1.598 1.00 0.00 H new ATOM 20 N GLN A 2 -11.592 3.628 -1.052 1.00 0.00 N ATOM 21 CA GLN A 2 -10.865 4.738 -1.707 1.00 0.00 C ATOM 22 C GLN A 2 -9.558 4.959 -1.007 1.00 0.00 C ATOM 23 O GLN A 2 -9.406 4.680 0.163 1.00 0.00 O ATOM 24 CB GLN A 2 -11.753 5.951 -1.580 1.00 0.00 C ATOM 25 CG GLN A 2 -10.961 7.205 -1.950 1.00 0.00 C ATOM 26 CD GLN A 2 -11.861 8.435 -1.830 1.00 0.00 C ATOM 27 OE1 GLN A 2 -13.051 8.354 -2.056 1.00 0.00 O ATOM 28 NE2 GLN A 2 -11.341 9.579 -1.483 1.00 0.00 N ATOM 0 H GLN A 2 -11.436 3.536 -0.048 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.646 4.526 -2.754 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.620 5.850 -2.233 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -12.130 6.034 -0.561 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -10.097 7.309 -1.293 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.579 7.119 -2.967 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.341 9.648 -1.293 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.934 10.405 -1.402 1.00 0.00 H new ATOM 37 N ILE A 3 -8.577 5.371 -1.729 1.00 0.00 N ATOM 38 CA ILE A 3 -7.266 5.503 -1.111 1.00 0.00 C ATOM 39 C ILE A 3 -6.452 6.627 -1.722 1.00 0.00 C ATOM 40 O ILE A 3 -6.819 7.237 -2.703 1.00 0.00 O ATOM 41 CB ILE A 3 -6.603 4.153 -1.413 1.00 0.00 C ATOM 42 CG1 ILE A 3 -5.819 4.239 -2.740 1.00 0.00 C ATOM 43 CG2 ILE A 3 -7.675 3.054 -1.527 1.00 0.00 C ATOM 44 CD1 ILE A 3 -5.939 2.930 -3.533 1.00 0.00 C ATOM 0 H ILE A 3 -8.631 5.620 -2.717 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.337 5.741 -0.050 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.919 3.908 -0.601 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.199 5.067 -3.338 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.769 4.449 -2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.196 2.099 -1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.223 2.982 -0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.366 3.302 -2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.378 3.016 -4.464 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.537 2.108 -2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.988 2.736 -3.758 1.00 0.00 H new ATOM 56 N LEU A 4 -5.303 6.828 -1.180 1.00 0.00 N ATOM 57 CA LEU A 4 -4.380 7.826 -1.746 1.00 0.00 C ATOM 58 C LEU A 4 -3.065 7.126 -2.000 1.00 0.00 C ATOM 59 O LEU A 4 -2.333 6.801 -1.090 1.00 0.00 O ATOM 60 CB LEU A 4 -4.222 8.896 -0.671 1.00 0.00 C ATOM 61 CG LEU A 4 -3.319 10.003 -1.209 1.00 0.00 C ATOM 62 CD1 LEU A 4 -1.880 9.507 -1.202 1.00 0.00 C ATOM 63 CD2 LEU A 4 -3.741 10.328 -2.635 1.00 0.00 C ATOM 0 H LEU A 4 -4.956 6.337 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.731 8.270 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.196 9.303 -0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.792 8.463 0.232 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.401 10.897 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -1.224 10.289 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.587 9.254 -0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.797 8.623 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.104 11.118 -3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.643 9.437 -3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.779 10.662 -2.640 1.00 0.00 H new ATOM 75 N PHE A 5 -2.755 6.894 -3.227 1.00 0.00 N ATOM 76 CA PHE A 5 -1.480 6.220 -3.524 1.00 0.00 C ATOM 77 C PHE A 5 -0.493 7.254 -4.054 1.00 0.00 C ATOM 78 O PHE A 5 -0.595 7.698 -5.175 1.00 0.00 O ATOM 79 CB PHE A 5 -1.816 5.168 -4.581 1.00 0.00 C ATOM 80 CG PHE A 5 -0.556 4.430 -4.944 1.00 0.00 C ATOM 81 CD1 PHE A 5 0.311 4.955 -5.908 1.00 0.00 C ATOM 82 CD2 PHE A 5 -0.247 3.227 -4.302 1.00 0.00 C ATOM 83 CE1 PHE A 5 1.490 4.275 -6.231 1.00 0.00 C ATOM 84 CE2 PHE A 5 0.933 2.549 -4.622 1.00 0.00 C ATOM 85 CZ PHE A 5 1.801 3.072 -5.587 1.00 0.00 C ATOM 0 H PHE A 5 -3.325 7.140 -4.036 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.023 5.753 -2.651 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.564 4.473 -4.199 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.244 5.643 -5.464 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.070 5.885 -6.402 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.919 2.822 -3.560 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.160 4.678 -6.977 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.175 1.621 -4.124 1.00 0.00 H new ATOM 0 HZ PHE A 5 2.712 2.547 -5.835 1.00 0.00 H new ATOM 95 N ASN A 6 0.443 7.667 -3.249 1.00 0.00 N ATOM 96 CA ASN A 6 1.402 8.702 -3.712 1.00 0.00 C ATOM 97 C ASN A 6 0.641 9.975 -4.048 1.00 0.00 C ATOM 98 O ASN A 6 0.682 10.497 -5.144 1.00 0.00 O ATOM 99 CB ASN A 6 2.100 8.113 -4.937 1.00 0.00 C ATOM 100 CG ASN A 6 3.365 8.915 -5.245 1.00 0.00 C ATOM 101 OD1 ASN A 6 3.969 9.485 -4.360 1.00 0.00 O ATOM 102 ND2 ASN A 6 3.793 8.983 -6.477 1.00 0.00 N ATOM 0 H ASN A 6 0.584 7.334 -2.295 1.00 0.00 H new ATOM 0 HA ASN A 6 2.139 8.964 -2.952 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.355 7.069 -4.755 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.428 8.132 -5.795 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.635 9.515 -6.696 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.285 8.504 -7.221 1.00 0.00 H new ATOM 109 N ASP A 7 -0.056 10.451 -3.072 1.00 0.00 N ATOM 110 CA ASP A 7 -0.871 11.684 -3.214 1.00 0.00 C ATOM 111 C ASP A 7 -1.862 11.538 -4.365 1.00 0.00 C ATOM 112 O ASP A 7 -2.412 12.506 -4.851 1.00 0.00 O ATOM 113 CB ASP A 7 0.105 12.810 -3.482 1.00 0.00 C ATOM 114 CG ASP A 7 1.292 12.711 -2.524 1.00 0.00 C ATOM 115 OD1 ASP A 7 1.145 12.076 -1.494 1.00 0.00 O ATOM 116 OD2 ASP A 7 2.327 13.277 -2.835 1.00 0.00 O ATOM 0 H ASP A 7 -0.100 10.025 -2.146 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.456 11.880 -2.315 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.454 12.762 -4.513 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.393 13.772 -3.359 1.00 0.00 H new ATOM 121 N GLN A 8 -2.120 10.335 -4.782 1.00 0.00 N ATOM 122 CA GLN A 8 -3.102 10.123 -5.876 1.00 0.00 C ATOM 123 C GLN A 8 -4.336 9.423 -5.311 1.00 0.00 C ATOM 124 O GLN A 8 -4.247 8.359 -4.738 1.00 0.00 O ATOM 125 CB GLN A 8 -2.348 9.258 -6.884 1.00 0.00 C ATOM 126 CG GLN A 8 -3.087 7.951 -7.185 1.00 0.00 C ATOM 127 CD GLN A 8 -2.538 7.348 -8.482 1.00 0.00 C ATOM 128 OE1 GLN A 8 -2.077 6.224 -8.497 1.00 0.00 O ATOM 129 NE2 GLN A 8 -2.562 8.057 -9.579 1.00 0.00 N ATOM 0 H GLN A 8 -1.692 9.486 -4.412 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.463 11.041 -6.341 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.209 9.817 -7.809 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.355 9.032 -6.496 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.959 7.249 -6.361 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.157 8.138 -7.281 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.949 9.001 -9.568 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -2.194 7.667 -10.447 1.00 0.00 H new ATOM 138 N ALA A 9 -5.484 10.009 -5.446 1.00 0.00 N ATOM 139 CA ALA A 9 -6.693 9.356 -4.884 1.00 0.00 C ATOM 140 C ALA A 9 -7.091 8.143 -5.726 1.00 0.00 C ATOM 141 O ALA A 9 -6.844 8.081 -6.913 1.00 0.00 O ATOM 142 CB ALA A 9 -7.775 10.429 -4.910 1.00 0.00 C ATOM 0 H ALA A 9 -5.640 10.901 -5.915 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.527 8.982 -3.874 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.702 10.020 -4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.460 11.278 -4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.938 10.757 -5.937 1.00 0.00 H new ATOM 148 N MET A 10 -7.674 7.165 -5.098 1.00 0.00 N ATOM 149 CA MET A 10 -8.064 5.919 -5.830 1.00 0.00 C ATOM 150 C MET A 10 -9.322 5.290 -5.251 1.00 0.00 C ATOM 151 O MET A 10 -9.782 5.647 -4.190 1.00 0.00 O ATOM 152 CB MET A 10 -6.945 4.950 -5.505 1.00 0.00 C ATOM 153 CG MET A 10 -6.705 3.967 -6.642 1.00 0.00 C ATOM 154 SD MET A 10 -5.548 4.683 -7.835 1.00 0.00 S ATOM 155 CE MET A 10 -4.088 4.653 -6.768 1.00 0.00 C ATOM 0 H MET A 10 -7.901 7.169 -4.104 1.00 0.00 H new ATOM 0 HA MET A 10 -8.231 6.134 -6.885 1.00 0.00 H new ATOM 0 HB2 MET A 10 -6.029 5.506 -5.305 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.191 4.402 -4.595 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.305 3.032 -6.249 1.00 0.00 H new ATOM 0 HG3 MET A 10 -7.648 3.728 -7.134 1.00 0.00 H new ATOM 0 HE1 MET A 10 -3.220 4.340 -7.348 1.00 0.00 H new ATOM 0 HE2 MET A 10 -3.913 5.649 -6.362 1.00 0.00 H new ATOM 0 HE3 MET A 10 -4.250 3.951 -5.950 1.00 0.00 H new ATOM 165 N GLN A 11 -9.805 4.273 -5.903 1.00 0.00 N ATOM 166 CA GLN A 11 -10.950 3.507 -5.361 1.00 0.00 C ATOM 167 C GLN A 11 -10.729 2.047 -5.701 1.00 0.00 C ATOM 168 O GLN A 11 -10.620 1.655 -6.845 1.00 0.00 O ATOM 169 CB GLN A 11 -12.230 3.993 -6.007 1.00 0.00 C ATOM 170 CG GLN A 11 -12.118 5.469 -6.385 1.00 0.00 C ATOM 171 CD GLN A 11 -11.501 5.617 -7.780 1.00 0.00 C ATOM 172 OE1 GLN A 11 -10.968 4.582 -8.372 1.00 0.00 O flip ATOM 173 NE2 GLN A 11 -11.501 6.695 -8.340 1.00 0.00 N flip ATOM 0 H GLN A 11 -9.449 3.938 -6.798 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.028 3.640 -4.282 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.442 3.400 -6.897 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -13.066 3.850 -5.322 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.105 5.932 -6.366 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -11.505 5.993 -5.652 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -11.916 7.507 -7.883 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.086 6.788 -9.267 1.00 0.00 H new ATOM 182 N CYS A 12 -10.633 1.264 -4.697 1.00 0.00 N ATOM 183 CA CYS A 12 -10.380 -0.193 -4.879 1.00 0.00 C ATOM 184 C CYS A 12 -11.097 -1.016 -3.813 1.00 0.00 C ATOM 185 O CYS A 12 -12.064 -0.586 -3.220 1.00 0.00 O ATOM 186 CB CYS A 12 -8.865 -0.338 -4.768 1.00 0.00 C ATOM 187 SG CYS A 12 -8.278 0.575 -3.327 1.00 0.00 S ATOM 0 H CYS A 12 -10.719 1.563 -3.726 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.757 -0.560 -5.834 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.595 -1.390 -4.680 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.386 0.039 -5.671 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.617 -0.059 -2.244 1.00 0.00 H new ATOM 193 N ALA A 13 -10.657 -2.225 -3.616 1.00 0.00 N ATOM 194 CA ALA A 13 -11.331 -3.127 -2.651 1.00 0.00 C ATOM 195 C ALA A 13 -11.003 -2.839 -1.193 1.00 0.00 C ATOM 196 O ALA A 13 -9.916 -3.090 -0.716 1.00 0.00 O ATOM 197 CB ALA A 13 -10.848 -4.526 -3.022 1.00 0.00 C ATOM 0 H ALA A 13 -9.849 -2.629 -4.089 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.411 -2.996 -2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.302 -5.257 -2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.134 -4.749 -4.050 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.763 -4.573 -2.929 1.00 0.00 H new ATOM 203 N ALA A 14 -11.968 -2.348 -0.476 1.00 0.00 N ATOM 204 CA ALA A 14 -11.764 -2.084 0.973 1.00 0.00 C ATOM 205 C ALA A 14 -11.542 -3.411 1.699 1.00 0.00 C ATOM 206 O ALA A 14 -12.094 -4.431 1.335 1.00 0.00 O ATOM 207 CB ALA A 14 -13.061 -1.445 1.457 1.00 0.00 C ATOM 0 H ALA A 14 -12.895 -2.116 -0.832 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.902 -1.443 1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.982 -1.223 2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.240 -0.522 0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.890 -2.133 1.291 1.00 0.00 H new ATOM 213 N GLY A 15 -10.740 -3.404 2.712 1.00 0.00 N ATOM 214 CA GLY A 15 -10.474 -4.657 3.459 1.00 0.00 C ATOM 215 C GLY A 15 -9.469 -5.491 2.674 1.00 0.00 C ATOM 216 O GLY A 15 -9.174 -6.622 3.011 1.00 0.00 O ATOM 0 H GLY A 15 -10.251 -2.579 3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.083 -4.430 4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.399 -5.216 3.601 1.00 0.00 H new ATOM 220 N GLN A 16 -8.936 -4.930 1.627 1.00 0.00 N ATOM 221 CA GLN A 16 -7.943 -5.658 0.808 1.00 0.00 C ATOM 222 C GLN A 16 -6.538 -5.227 1.243 1.00 0.00 C ATOM 223 O GLN A 16 -6.227 -4.053 1.258 1.00 0.00 O ATOM 224 CB GLN A 16 -8.269 -5.226 -0.622 1.00 0.00 C ATOM 225 CG GLN A 16 -7.509 -3.949 -0.993 1.00 0.00 C ATOM 226 CD GLN A 16 -7.790 -3.605 -2.456 1.00 0.00 C ATOM 227 OE1 GLN A 16 -8.392 -2.591 -2.749 1.00 0.00 O ATOM 228 NE2 GLN A 16 -7.380 -4.415 -3.393 1.00 0.00 N ATOM 0 H GLN A 16 -9.152 -3.987 1.304 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.976 -6.743 0.908 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.007 -6.025 -1.316 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.341 -5.057 -0.720 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.818 -3.127 -0.348 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.439 -4.090 -0.839 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.875 -5.266 -3.146 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.565 -4.197 -4.372 1.00 0.00 H new ATOM 237 N THR A 17 -5.697 -6.144 1.635 1.00 0.00 N ATOM 238 CA THR A 17 -4.344 -5.733 2.101 1.00 0.00 C ATOM 239 C THR A 17 -3.659 -4.815 1.105 1.00 0.00 C ATOM 240 O THR A 17 -4.221 -4.364 0.131 1.00 0.00 O ATOM 241 CB THR A 17 -3.471 -6.982 2.197 1.00 0.00 C ATOM 242 OG1 THR A 17 -2.978 -7.301 0.904 1.00 0.00 O ATOM 243 CG2 THR A 17 -4.239 -8.177 2.737 1.00 0.00 C ATOM 0 H THR A 17 -5.884 -7.146 1.653 1.00 0.00 H new ATOM 0 HA THR A 17 -4.464 -5.218 3.054 1.00 0.00 H new ATOM 0 HB THR A 17 -2.656 -6.766 2.887 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.999 -7.265 0.909 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.578 -9.042 2.788 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.614 -7.948 3.735 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.077 -8.399 2.077 1.00 0.00 H new ATOM 251 N VAL A 18 -2.407 -4.601 1.353 1.00 0.00 N ATOM 252 CA VAL A 18 -1.554 -3.784 0.462 1.00 0.00 C ATOM 253 C VAL A 18 -1.180 -4.634 -0.712 1.00 0.00 C ATOM 254 O VAL A 18 -1.436 -4.314 -1.851 1.00 0.00 O ATOM 255 CB VAL A 18 -0.330 -3.583 1.271 1.00 0.00 C ATOM 256 CG1 VAL A 18 0.659 -2.742 0.498 1.00 0.00 C ATOM 257 CG2 VAL A 18 -0.709 -2.946 2.591 1.00 0.00 C ATOM 0 H VAL A 18 -1.921 -4.974 2.169 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.023 -2.861 0.120 1.00 0.00 H new ATOM 0 HB VAL A 18 0.150 -4.539 1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.558 -2.596 1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.920 -3.249 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.214 -1.774 0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.187 -2.795 3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.189 -1.985 2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.399 -3.599 3.125 1.00 0.00 H new ATOM 267 N HIS A 19 -0.635 -5.790 -0.417 1.00 0.00 N ATOM 268 CA HIS A 19 -0.318 -6.735 -1.493 1.00 0.00 C ATOM 269 C HIS A 19 -1.596 -6.828 -2.307 1.00 0.00 C ATOM 270 O HIS A 19 -1.600 -7.053 -3.504 1.00 0.00 O ATOM 271 CB HIS A 19 -0.044 -8.035 -0.745 1.00 0.00 C ATOM 272 CG HIS A 19 0.555 -9.056 -1.674 1.00 0.00 C ATOM 273 ND1 HIS A 19 1.267 -10.149 -1.204 1.00 0.00 N ATOM 274 CD2 HIS A 19 0.562 -9.163 -3.043 1.00 0.00 C ATOM 275 CE1 HIS A 19 1.669 -10.861 -2.272 1.00 0.00 C ATOM 276 NE2 HIS A 19 1.266 -10.306 -3.419 1.00 0.00 N ATOM 0 H HIS A 19 -0.403 -6.105 0.525 1.00 0.00 H new ATOM 0 HA HIS A 19 0.516 -6.479 -2.146 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.635 -7.848 0.087 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -0.971 -8.420 -0.320 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.094 -8.468 -3.724 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.247 -11.771 -2.210 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.437 -10.646 -4.366 1.00 0.00 H new ATOM 284 N GLU A 20 -2.691 -6.578 -1.626 1.00 0.00 N ATOM 285 CA GLU A 20 -4.012 -6.577 -2.303 1.00 0.00 C ATOM 286 C GLU A 20 -4.246 -5.209 -2.941 1.00 0.00 C ATOM 287 O GLU A 20 -4.696 -5.107 -4.067 1.00 0.00 O ATOM 288 CB GLU A 20 -5.031 -6.860 -1.204 1.00 0.00 C ATOM 289 CG GLU A 20 -5.065 -8.364 -0.922 1.00 0.00 C ATOM 290 CD GLU A 20 -6.065 -9.037 -1.865 1.00 0.00 C ATOM 291 OE1 GLU A 20 -5.695 -9.307 -2.996 1.00 0.00 O ATOM 292 OE2 GLU A 20 -7.183 -9.273 -1.440 1.00 0.00 O ATOM 0 H GLU A 20 -2.718 -6.375 -0.627 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.084 -7.320 -3.098 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.767 -6.314 -0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.018 -6.513 -1.509 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.073 -8.793 -1.060 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.349 -8.544 0.115 1.00 0.00 H new ATOM 299 N LEU A 21 -3.924 -4.151 -2.238 1.00 0.00 N ATOM 300 CA LEU A 21 -4.112 -2.793 -2.824 1.00 0.00 C ATOM 301 C LEU A 21 -3.199 -2.670 -4.042 1.00 0.00 C ATOM 302 O LEU A 21 -3.643 -2.511 -5.159 1.00 0.00 O ATOM 303 CB LEU A 21 -3.665 -1.841 -1.708 1.00 0.00 C ATOM 304 CG LEU A 21 -4.231 -0.435 -1.931 1.00 0.00 C ATOM 305 CD1 LEU A 21 -3.526 0.234 -3.107 1.00 0.00 C ATOM 306 CD2 LEU A 21 -5.725 -0.515 -2.226 1.00 0.00 C ATOM 0 H LEU A 21 -3.543 -4.170 -1.292 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.131 -2.583 -3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.998 -2.223 -0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.576 -1.798 -1.675 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.067 0.152 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.936 1.233 -3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.459 0.308 -2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.679 -0.360 -4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.119 0.489 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.887 -1.113 -3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.238 -0.978 -1.383 1.00 0.00 H new ATOM 318 N LEU A 22 -1.925 -2.801 -3.830 1.00 0.00 N ATOM 319 CA LEU A 22 -0.962 -2.738 -4.958 1.00 0.00 C ATOM 320 C LEU A 22 -1.477 -3.561 -6.129 1.00 0.00 C ATOM 321 O LEU A 22 -1.532 -3.112 -7.258 1.00 0.00 O ATOM 322 CB LEU A 22 0.290 -3.389 -4.384 1.00 0.00 C ATOM 323 CG LEU A 22 1.048 -2.376 -3.553 1.00 0.00 C ATOM 324 CD1 LEU A 22 2.188 -3.078 -2.819 1.00 0.00 C ATOM 325 CD2 LEU A 22 1.609 -1.337 -4.501 1.00 0.00 C ATOM 0 H LEU A 22 -1.504 -2.951 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.796 -1.725 -5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.018 -4.248 -3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.922 -3.760 -5.190 1.00 0.00 H new ATOM 0 HG LEU A 22 0.395 -1.907 -2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.736 -2.352 -2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.780 -3.852 -2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.862 -3.533 -3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.163 -0.589 -3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.276 -1.819 -5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.792 -0.854 -5.037 1.00 0.00 H new ATOM 337 N GLU A 23 -1.843 -4.773 -5.859 1.00 0.00 N ATOM 338 CA GLU A 23 -2.351 -5.661 -6.949 1.00 0.00 C ATOM 339 C GLU A 23 -3.454 -4.954 -7.739 1.00 0.00 C ATOM 340 O GLU A 23 -3.455 -4.959 -8.953 1.00 0.00 O ATOM 341 CB GLU A 23 -2.926 -6.882 -6.239 1.00 0.00 C ATOM 342 CG GLU A 23 -3.294 -7.953 -7.270 1.00 0.00 C ATOM 343 CD GLU A 23 -3.536 -9.285 -6.557 1.00 0.00 C ATOM 344 OE1 GLU A 23 -3.909 -9.253 -5.397 1.00 0.00 O ATOM 345 OE2 GLU A 23 -3.343 -10.314 -7.183 1.00 0.00 O ATOM 0 H GLU A 23 -1.816 -5.196 -4.931 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.563 -5.926 -7.654 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.198 -7.279 -5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.808 -6.599 -5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.188 -7.654 -7.818 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.493 -8.060 -8.001 1.00 0.00 H new ATOM 352 N GLN A 24 -4.385 -4.334 -7.068 1.00 0.00 N ATOM 353 CA GLN A 24 -5.468 -3.622 -7.803 1.00 0.00 C ATOM 354 C GLN A 24 -4.837 -2.549 -8.666 1.00 0.00 C ATOM 355 O GLN A 24 -5.094 -2.419 -9.847 1.00 0.00 O ATOM 356 CB GLN A 24 -6.288 -2.943 -6.714 1.00 0.00 C ATOM 357 CG GLN A 24 -7.579 -2.401 -7.318 1.00 0.00 C ATOM 358 CD GLN A 24 -8.418 -3.570 -7.839 1.00 0.00 C ATOM 359 OE1 GLN A 24 -8.206 -4.045 -8.938 1.00 0.00 O ATOM 360 NE2 GLN A 24 -9.363 -4.063 -7.087 1.00 0.00 N ATOM 0 H GLN A 24 -4.443 -4.289 -6.051 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.062 -4.286 -8.430 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.515 -3.653 -5.918 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.715 -2.132 -6.264 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.139 -1.841 -6.569 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.353 -1.709 -8.130 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.541 -3.665 -6.165 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.924 -4.847 -7.421 1.00 0.00 H new ATOM 369 N LEU A 25 -3.997 -1.787 -8.049 1.00 0.00 N ATOM 370 CA LEU A 25 -3.289 -0.698 -8.736 1.00 0.00 C ATOM 371 C LEU A 25 -2.351 -1.285 -9.789 1.00 0.00 C ATOM 372 O LEU A 25 -1.906 -0.601 -10.689 1.00 0.00 O ATOM 373 CB LEU A 25 -2.557 -0.005 -7.592 1.00 0.00 C ATOM 374 CG LEU A 25 -3.568 0.876 -6.839 1.00 0.00 C ATOM 375 CD1 LEU A 25 -4.744 0.056 -6.302 1.00 0.00 C ATOM 376 CD2 LEU A 25 -2.891 1.583 -5.666 1.00 0.00 C ATOM 0 H LEU A 25 -3.766 -1.880 -7.060 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.924 -0.002 -9.284 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.119 -0.742 -6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.737 0.601 -7.977 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.945 1.609 -7.553 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.436 0.714 -5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.261 -0.426 -7.132 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.373 -0.705 -5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.621 2.202 -5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.487 0.841 -4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.082 2.211 -6.038 1.00 0.00 H new ATOM 388 N ASP A 26 -2.069 -2.561 -9.671 1.00 0.00 N ATOM 389 CA ASP A 26 -1.183 -3.270 -10.645 1.00 0.00 C ATOM 390 C ASP A 26 0.284 -3.011 -10.316 1.00 0.00 C ATOM 391 O ASP A 26 1.120 -2.883 -11.190 1.00 0.00 O ATOM 392 CB ASP A 26 -1.550 -2.715 -12.019 1.00 0.00 C ATOM 393 CG ASP A 26 -1.107 -3.690 -13.112 1.00 0.00 C ATOM 394 OD1 ASP A 26 -0.488 -4.685 -12.774 1.00 0.00 O ATOM 395 OD2 ASP A 26 -1.396 -3.423 -14.268 1.00 0.00 O ATOM 0 H ASP A 26 -2.426 -3.153 -8.921 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.321 -4.351 -10.610 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.626 -2.553 -12.079 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.073 -1.747 -12.169 1.00 0.00 H new ATOM 400 N GLN A 27 0.603 -2.953 -9.055 1.00 0.00 N ATOM 401 CA GLN A 27 2.019 -2.730 -8.645 1.00 0.00 C ATOM 402 C GLN A 27 2.375 -3.744 -7.554 1.00 0.00 C ATOM 403 O GLN A 27 1.507 -4.398 -7.014 1.00 0.00 O ATOM 404 CB GLN A 27 2.109 -1.290 -8.104 1.00 0.00 C ATOM 405 CG GLN A 27 0.792 -0.526 -8.304 1.00 0.00 C ATOM 406 CD GLN A 27 1.044 0.966 -8.084 1.00 0.00 C ATOM 407 OE1 GLN A 27 0.296 1.626 -7.390 1.00 0.00 O ATOM 408 NE2 GLN A 27 2.079 1.528 -8.648 1.00 0.00 N ATOM 0 H GLN A 27 -0.059 -3.051 -8.285 1.00 0.00 H new ATOM 0 HA GLN A 27 2.713 -2.859 -9.476 1.00 0.00 H new ATOM 0 HB2 GLN A 27 2.358 -1.315 -7.043 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.917 -0.761 -8.609 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.405 -0.698 -9.308 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.037 -0.887 -7.606 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.706 0.973 -9.230 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.260 2.522 -8.506 1.00 0.00 H new ATOM 417 N ARG A 28 3.631 -3.903 -7.223 1.00 0.00 N ATOM 418 CA ARG A 28 3.983 -4.890 -6.171 1.00 0.00 C ATOM 419 C ARG A 28 5.088 -4.327 -5.262 1.00 0.00 C ATOM 420 O ARG A 28 4.914 -3.303 -4.632 1.00 0.00 O ATOM 421 CB ARG A 28 4.449 -6.133 -6.931 1.00 0.00 C ATOM 422 CG ARG A 28 3.228 -6.913 -7.409 1.00 0.00 C ATOM 423 CD ARG A 28 2.888 -6.496 -8.836 1.00 0.00 C ATOM 424 NE ARG A 28 3.870 -7.220 -9.689 1.00 0.00 N ATOM 425 CZ ARG A 28 3.539 -8.348 -10.252 1.00 0.00 C ATOM 426 NH1 ARG A 28 2.965 -8.347 -11.422 1.00 0.00 N ATOM 427 NH2 ARG A 28 3.786 -9.478 -9.645 1.00 0.00 N ATOM 0 H ARG A 28 4.416 -3.397 -7.633 1.00 0.00 H new ATOM 0 HA ARG A 28 3.144 -5.123 -5.516 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.067 -5.844 -7.781 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.066 -6.759 -6.286 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.428 -7.984 -7.369 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.380 -6.722 -6.751 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.864 -6.767 -9.094 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.973 -5.417 -8.964 1.00 0.00 H new ATOM 0 HE ARG A 28 4.803 -6.833 -9.833 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.775 -7.464 -11.896 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.706 -9.229 -11.864 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.238 -9.478 -8.731 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.527 -10.361 -10.085 1.00 0.00 H new ATOM 441 N GLN A 29 6.217 -4.982 -5.182 1.00 0.00 N ATOM 442 CA GLN A 29 7.314 -4.482 -4.306 1.00 0.00 C ATOM 443 C GLN A 29 8.666 -4.562 -5.020 1.00 0.00 C ATOM 444 O GLN A 29 9.239 -3.561 -5.399 1.00 0.00 O ATOM 445 CB GLN A 29 7.320 -5.414 -3.090 1.00 0.00 C ATOM 446 CG GLN A 29 5.907 -5.543 -2.526 1.00 0.00 C ATOM 447 CD GLN A 29 5.400 -6.967 -2.751 1.00 0.00 C ATOM 448 OE1 GLN A 29 5.732 -7.594 -3.737 1.00 0.00 O ATOM 449 NE2 GLN A 29 4.607 -7.510 -1.870 1.00 0.00 N ATOM 0 H GLN A 29 6.425 -5.843 -5.687 1.00 0.00 H new ATOM 0 HA GLN A 29 7.156 -3.439 -4.033 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.698 -6.396 -3.375 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.992 -5.024 -2.325 1.00 0.00 H new ATOM 0 HG2 GLN A 29 5.905 -5.308 -1.462 1.00 0.00 H new ATOM 0 HG3 GLN A 29 5.243 -4.828 -3.011 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.328 -6.984 -1.042 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.266 -8.461 -2.009 1.00 0.00 H new ATOM 458 N ALA A 30 9.196 -5.750 -5.181 1.00 0.00 N ATOM 459 CA ALA A 30 10.527 -5.890 -5.839 1.00 0.00 C ATOM 460 C ALA A 30 11.558 -5.078 -5.077 1.00 0.00 C ATOM 461 O ALA A 30 12.635 -4.802 -5.567 1.00 0.00 O ATOM 462 CB ALA A 30 10.360 -5.301 -7.227 1.00 0.00 C ATOM 0 H ALA A 30 8.764 -6.625 -4.885 1.00 0.00 H new ATOM 0 HA ALA A 30 10.857 -6.928 -5.868 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.304 -5.371 -7.768 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.590 -5.853 -7.766 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.066 -4.255 -7.145 1.00 0.00 H new ATOM 468 N GLY A 31 11.232 -4.674 -3.890 1.00 0.00 N ATOM 469 CA GLY A 31 12.185 -3.861 -3.113 1.00 0.00 C ATOM 470 C GLY A 31 11.557 -2.495 -2.835 1.00 0.00 C ATOM 471 O GLY A 31 12.211 -1.474 -2.911 1.00 0.00 O ATOM 0 H GLY A 31 10.346 -4.873 -3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.431 -4.361 -2.176 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.117 -3.742 -3.665 1.00 0.00 H new ATOM 475 N ALA A 32 10.284 -2.464 -2.528 1.00 0.00 N ATOM 476 CA ALA A 32 9.612 -1.154 -2.264 1.00 0.00 C ATOM 477 C ALA A 32 9.111 -1.062 -0.819 1.00 0.00 C ATOM 478 O ALA A 32 9.096 -2.030 -0.085 1.00 0.00 O ATOM 479 CB ALA A 32 8.415 -1.112 -3.217 1.00 0.00 C ATOM 0 H ALA A 32 9.683 -3.285 -2.449 1.00 0.00 H new ATOM 0 HA ALA A 32 10.305 -0.326 -2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.873 -0.176 -3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.767 -1.179 -4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.751 -1.950 -3.005 1.00 0.00 H new ATOM 485 N ALA A 33 8.676 0.104 -0.429 1.00 0.00 N ATOM 486 CA ALA A 33 8.137 0.306 0.945 1.00 0.00 C ATOM 487 C ALA A 33 7.078 1.403 0.887 1.00 0.00 C ATOM 488 O ALA A 33 7.046 2.186 -0.042 1.00 0.00 O ATOM 489 CB ALA A 33 9.332 0.739 1.787 1.00 0.00 C ATOM 0 H ALA A 33 8.671 0.939 -1.015 1.00 0.00 H new ATOM 0 HA ALA A 33 7.672 -0.586 1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.011 0.907 2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.093 -0.041 1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.748 1.661 1.382 1.00 0.00 H new ATOM 495 N LEU A 34 6.183 1.455 1.832 1.00 0.00 N ATOM 496 CA LEU A 34 5.122 2.492 1.753 1.00 0.00 C ATOM 497 C LEU A 34 4.653 2.935 3.142 1.00 0.00 C ATOM 498 O LEU A 34 4.858 2.255 4.128 1.00 0.00 O ATOM 499 CB LEU A 34 3.991 1.795 0.965 1.00 0.00 C ATOM 500 CG LEU A 34 2.759 1.524 1.848 1.00 0.00 C ATOM 501 CD1 LEU A 34 1.788 2.681 1.695 1.00 0.00 C ATOM 502 CD2 LEU A 34 2.077 0.234 1.394 1.00 0.00 C ATOM 0 H LEU A 34 6.140 0.836 2.642 1.00 0.00 H new ATOM 0 HA LEU A 34 5.467 3.408 1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.701 2.418 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.359 0.854 0.557 1.00 0.00 H new ATOM 0 HG LEU A 34 3.065 1.423 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.909 2.503 2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.272 3.606 2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.484 2.766 0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.205 0.044 2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.763 0.335 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.776 -0.598 1.483 1.00 0.00 H new ATOM 514 N ALA A 35 3.974 4.046 3.213 1.00 0.00 N ATOM 515 CA ALA A 35 3.440 4.498 4.523 1.00 0.00 C ATOM 516 C ALA A 35 1.957 4.814 4.365 1.00 0.00 C ATOM 517 O ALA A 35 1.574 5.714 3.642 1.00 0.00 O ATOM 518 CB ALA A 35 4.230 5.745 4.872 1.00 0.00 C ATOM 0 H ALA A 35 3.768 4.657 2.423 1.00 0.00 H new ATOM 0 HA ALA A 35 3.536 3.746 5.306 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.889 6.136 5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.290 5.498 4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.080 6.499 4.099 1.00 0.00 H new ATOM 524 N ILE A 36 1.115 4.071 5.012 1.00 0.00 N ATOM 525 CA ILE A 36 -0.343 4.328 4.862 1.00 0.00 C ATOM 526 C ILE A 36 -0.876 5.129 6.052 1.00 0.00 C ATOM 527 O ILE A 36 -0.625 4.808 7.192 1.00 0.00 O ATOM 528 CB ILE A 36 -0.988 2.948 4.814 1.00 0.00 C ATOM 529 CG1 ILE A 36 -0.411 2.167 3.629 1.00 0.00 C ATOM 530 CG2 ILE A 36 -2.501 3.110 4.644 1.00 0.00 C ATOM 531 CD1 ILE A 36 -1.210 0.880 3.417 1.00 0.00 C ATOM 0 H ILE A 36 1.365 3.302 5.634 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.563 4.913 3.969 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.784 2.405 5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.444 2.779 2.728 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.636 1.929 3.814 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.970 2.127 4.609 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.903 3.674 5.485 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.708 3.644 3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.795 0.329 2.573 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.154 0.265 4.315 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.251 1.128 3.212 1.00 0.00 H new ATOM 543 N ASN A 37 -1.615 6.171 5.801 1.00 0.00 N ATOM 544 CA ASN A 37 -2.156 6.980 6.929 1.00 0.00 C ATOM 545 C ASN A 37 -1.012 7.439 7.838 1.00 0.00 C ATOM 546 O ASN A 37 -1.207 7.670 9.010 1.00 0.00 O ATOM 547 CB ASN A 37 -3.091 6.032 7.683 1.00 0.00 C ATOM 548 CG ASN A 37 -4.412 5.898 6.920 1.00 0.00 C ATOM 549 OD1 ASN A 37 -4.733 6.722 6.089 1.00 0.00 O ATOM 550 ND2 ASN A 37 -5.197 4.885 7.171 1.00 0.00 N ATOM 0 H ASN A 37 -1.868 6.498 4.868 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.674 7.876 6.587 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.622 5.054 7.793 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.277 6.411 8.688 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.079 4.787 6.669 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.928 4.192 7.869 1.00 0.00 H new ATOM 557 N GLN A 38 0.175 7.567 7.284 1.00 0.00 N ATOM 558 CA GLN A 38 1.384 8.010 8.062 1.00 0.00 C ATOM 559 C GLN A 38 2.044 6.815 8.756 1.00 0.00 C ATOM 560 O GLN A 38 3.072 6.949 9.386 1.00 0.00 O ATOM 561 CB GLN A 38 0.906 9.073 9.076 1.00 0.00 C ATOM 562 CG GLN A 38 0.670 8.451 10.462 1.00 0.00 C ATOM 563 CD GLN A 38 -0.441 9.217 11.183 1.00 0.00 C ATOM 564 OE1 GLN A 38 -1.045 10.110 10.621 1.00 0.00 O ATOM 565 NE2 GLN A 38 -0.737 8.905 12.416 1.00 0.00 N ATOM 0 H GLN A 38 0.361 7.378 6.299 1.00 0.00 H new ATOM 0 HA GLN A 38 2.141 8.439 7.405 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.649 9.867 9.152 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.016 9.532 8.719 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.395 7.401 10.359 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.588 8.484 11.048 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.231 8.156 12.888 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.475 9.410 12.907 1.00 0.00 H new ATOM 574 N GLN A 39 1.485 5.644 8.629 1.00 0.00 N ATOM 575 CA GLN A 39 2.126 4.462 9.272 1.00 0.00 C ATOM 576 C GLN A 39 3.045 3.772 8.259 1.00 0.00 C ATOM 577 O GLN A 39 2.605 3.164 7.307 1.00 0.00 O ATOM 578 CB GLN A 39 0.985 3.523 9.713 1.00 0.00 C ATOM 579 CG GLN A 39 0.490 2.671 8.539 1.00 0.00 C ATOM 580 CD GLN A 39 -0.969 2.273 8.769 1.00 0.00 C ATOM 581 OE1 GLN A 39 -1.812 2.496 7.923 1.00 0.00 O ATOM 582 NE2 GLN A 39 -1.304 1.686 9.884 1.00 0.00 N ATOM 0 H GLN A 39 0.624 5.455 8.116 1.00 0.00 H new ATOM 0 HA GLN A 39 2.733 4.746 10.131 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.333 2.874 10.516 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.159 4.111 10.114 1.00 0.00 H new ATOM 0 HG2 GLN A 39 0.582 3.230 7.608 1.00 0.00 H new ATOM 0 HG3 GLN A 39 1.109 1.779 8.438 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.596 1.499 10.594 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.274 1.414 10.046 1.00 0.00 H new ATOM 591 N ILE A 40 4.323 3.861 8.447 1.00 0.00 N ATOM 592 CA ILE A 40 5.236 3.195 7.479 1.00 0.00 C ATOM 593 C ILE A 40 5.221 1.692 7.736 1.00 0.00 C ATOM 594 O ILE A 40 5.737 1.219 8.728 1.00 0.00 O ATOM 595 CB ILE A 40 6.632 3.750 7.768 1.00 0.00 C ATOM 596 CG1 ILE A 40 6.769 5.156 7.183 1.00 0.00 C ATOM 597 CG2 ILE A 40 7.688 2.828 7.142 1.00 0.00 C ATOM 598 CD1 ILE A 40 5.864 6.120 7.953 1.00 0.00 C ATOM 0 H ILE A 40 4.775 4.357 9.215 1.00 0.00 H new ATOM 0 HA ILE A 40 4.940 3.375 6.446 1.00 0.00 H new ATOM 0 HB ILE A 40 6.781 3.798 8.847 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.806 5.487 7.244 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.497 5.150 6.127 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.683 3.223 7.347 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.598 1.829 7.569 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.533 2.777 6.064 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.962 7.122 7.536 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.828 5.792 7.870 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.157 6.134 9.003 1.00 0.00 H new ATOM 610 N VAL A 41 4.648 0.929 6.854 1.00 0.00 N ATOM 611 CA VAL A 41 4.632 -0.539 7.079 1.00 0.00 C ATOM 612 C VAL A 41 5.665 -1.211 6.219 1.00 0.00 C ATOM 613 O VAL A 41 5.885 -0.829 5.086 1.00 0.00 O ATOM 614 CB VAL A 41 3.279 -1.041 6.643 1.00 0.00 C ATOM 615 CG1 VAL A 41 3.227 -2.550 6.889 1.00 0.00 C ATOM 616 CG2 VAL A 41 2.194 -0.341 7.456 1.00 0.00 C ATOM 0 H VAL A 41 4.196 1.251 5.998 1.00 0.00 H new ATOM 0 HA VAL A 41 4.838 -0.755 8.127 1.00 0.00 H new ATOM 0 HB VAL A 41 3.115 -0.832 5.586 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.255 -2.936 6.580 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.012 -3.040 6.312 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.377 -2.751 7.950 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.214 -0.702 7.143 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.338 -0.555 8.515 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.253 0.735 7.292 1.00 0.00 H new ATOM 626 N PRO A 42 6.241 -2.217 6.770 1.00 0.00 N ATOM 627 CA PRO A 42 7.233 -2.975 6.024 1.00 0.00 C ATOM 628 C PRO A 42 6.593 -3.819 4.937 1.00 0.00 C ATOM 629 O PRO A 42 5.744 -4.656 5.168 1.00 0.00 O ATOM 630 CB PRO A 42 7.893 -3.838 7.059 1.00 0.00 C ATOM 631 CG PRO A 42 6.907 -3.960 8.175 1.00 0.00 C ATOM 632 CD PRO A 42 6.038 -2.734 8.127 1.00 0.00 C ATOM 0 HA PRO A 42 7.939 -2.326 5.506 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.144 -4.817 6.650 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.824 -3.390 7.407 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.307 -4.863 8.063 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.418 -4.034 9.135 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.991 -2.978 8.310 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.332 -2.005 8.882 1.00 0.00 H new ATOM 640 N ARG A 43 7.038 -3.573 3.760 1.00 0.00 N ATOM 641 CA ARG A 43 6.557 -4.298 2.537 1.00 0.00 C ATOM 642 C ARG A 43 5.918 -5.650 2.850 1.00 0.00 C ATOM 643 O ARG A 43 4.748 -5.868 2.607 1.00 0.00 O ATOM 644 CB ARG A 43 7.812 -4.516 1.682 1.00 0.00 C ATOM 645 CG ARG A 43 9.028 -4.834 2.562 1.00 0.00 C ATOM 646 CD ARG A 43 9.684 -6.129 2.078 1.00 0.00 C ATOM 647 NE ARG A 43 11.140 -5.823 2.014 1.00 0.00 N ATOM 648 CZ ARG A 43 11.679 -5.429 0.891 1.00 0.00 C ATOM 649 NH1 ARG A 43 11.644 -6.204 -0.156 1.00 0.00 N ATOM 650 NH2 ARG A 43 12.250 -4.258 0.817 1.00 0.00 N ATOM 0 H ARG A 43 7.750 -2.868 3.567 1.00 0.00 H new ATOM 0 HA ARG A 43 5.783 -3.713 2.040 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.642 -5.334 0.982 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.011 -3.624 1.088 1.00 0.00 H new ATOM 0 HG2 ARG A 43 9.744 -4.014 2.521 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.720 -4.937 3.603 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.484 -6.953 2.763 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.300 -6.425 1.102 1.00 0.00 H new ATOM 0 HE ARG A 43 11.718 -5.921 2.849 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.196 -7.118 -0.099 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.065 -5.896 -1.033 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.276 -3.650 1.636 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.671 -3.950 -0.060 1.00 0.00 H new ATOM 664 N GLU A 44 6.686 -6.562 3.351 1.00 0.00 N ATOM 665 CA GLU A 44 6.164 -7.914 3.656 1.00 0.00 C ATOM 666 C GLU A 44 4.751 -7.850 4.246 1.00 0.00 C ATOM 667 O GLU A 44 3.858 -8.548 3.810 1.00 0.00 O ATOM 668 CB GLU A 44 7.172 -8.443 4.664 1.00 0.00 C ATOM 669 CG GLU A 44 6.742 -9.826 5.160 1.00 0.00 C ATOM 670 CD GLU A 44 7.943 -10.539 5.786 1.00 0.00 C ATOM 671 OE1 GLU A 44 8.721 -11.112 5.043 1.00 0.00 O ATOM 672 OE2 GLU A 44 8.063 -10.500 6.999 1.00 0.00 O ATOM 0 H GLU A 44 7.674 -6.427 3.567 1.00 0.00 H new ATOM 0 HA GLU A 44 6.066 -8.549 2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.159 -8.503 4.206 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.252 -7.755 5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.941 -9.729 5.893 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.347 -10.415 4.332 1.00 0.00 H new ATOM 679 N GLN A 45 4.540 -7.022 5.228 1.00 0.00 N ATOM 680 CA GLN A 45 3.179 -6.920 5.838 1.00 0.00 C ATOM 681 C GLN A 45 2.123 -6.644 4.770 1.00 0.00 C ATOM 682 O GLN A 45 0.998 -7.082 4.882 1.00 0.00 O ATOM 683 CB GLN A 45 3.261 -5.751 6.822 1.00 0.00 C ATOM 684 CG GLN A 45 3.980 -6.192 8.098 1.00 0.00 C ATOM 685 CD GLN A 45 3.044 -7.068 8.932 1.00 0.00 C ATOM 686 OE1 GLN A 45 3.052 -8.276 8.808 1.00 0.00 O ATOM 687 NE2 GLN A 45 2.234 -6.506 9.787 1.00 0.00 N ATOM 0 H GLN A 45 5.247 -6.411 5.637 1.00 0.00 H new ATOM 0 HA GLN A 45 2.890 -7.849 6.330 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.793 -4.916 6.365 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.259 -5.397 7.063 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.885 -6.745 7.846 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.289 -5.320 8.674 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.227 -5.491 9.892 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.608 -7.081 10.351 1.00 0.00 H new ATOM 696 N TRP A 46 2.469 -5.915 3.743 1.00 0.00 N ATOM 697 CA TRP A 46 1.485 -5.609 2.679 1.00 0.00 C ATOM 698 C TRP A 46 0.587 -6.814 2.403 1.00 0.00 C ATOM 699 O TRP A 46 -0.567 -6.679 2.047 1.00 0.00 O ATOM 700 CB TRP A 46 2.334 -5.319 1.438 1.00 0.00 C ATOM 701 CG TRP A 46 3.091 -4.036 1.597 1.00 0.00 C ATOM 702 CD1 TRP A 46 3.160 -3.297 2.729 1.00 0.00 C ATOM 703 CD2 TRP A 46 3.897 -3.335 0.602 1.00 0.00 C ATOM 704 NE1 TRP A 46 3.953 -2.188 2.490 1.00 0.00 N ATOM 705 CE2 TRP A 46 4.428 -2.167 1.193 1.00 0.00 C ATOM 706 CE3 TRP A 46 4.213 -3.597 -0.744 1.00 0.00 C ATOM 707 CZ2 TRP A 46 5.244 -1.294 0.477 1.00 0.00 C ATOM 708 CZ3 TRP A 46 5.037 -2.715 -1.467 1.00 0.00 C ATOM 709 CH2 TRP A 46 5.551 -1.565 -0.853 1.00 0.00 C ATOM 0 H TRP A 46 3.398 -5.519 3.600 1.00 0.00 H new ATOM 0 HA TRP A 46 0.836 -4.780 2.960 1.00 0.00 H new ATOM 0 HB2 TRP A 46 3.032 -6.139 1.270 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.692 -5.261 0.559 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.676 -3.534 3.665 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.161 -1.473 3.187 1.00 0.00 H new ATOM 0 HE3 TRP A 46 3.821 -4.481 -1.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.638 -0.408 0.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 5.274 -2.925 -2.499 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.184 -0.891 -1.411 1.00 0.00 H new ATOM 720 N ALA A 47 1.120 -7.984 2.540 1.00 0.00 N ATOM 721 CA ALA A 47 0.332 -9.212 2.263 1.00 0.00 C ATOM 722 C ALA A 47 -0.671 -9.511 3.379 1.00 0.00 C ATOM 723 O ALA A 47 -1.633 -10.229 3.183 1.00 0.00 O ATOM 724 CB ALA A 47 1.389 -10.293 2.206 1.00 0.00 C ATOM 0 H ALA A 47 2.082 -8.149 2.836 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.262 -9.126 1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.916 -11.254 2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.100 -10.065 1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.913 -10.340 3.160 1.00 0.00 H new ATOM 730 N GLN A 48 -0.466 -8.971 4.540 1.00 0.00 N ATOM 731 CA GLN A 48 -1.420 -9.227 5.651 1.00 0.00 C ATOM 732 C GLN A 48 -1.857 -7.893 6.235 1.00 0.00 C ATOM 733 O GLN A 48 -2.396 -7.812 7.320 1.00 0.00 O ATOM 734 CB GLN A 48 -0.637 -10.048 6.676 1.00 0.00 C ATOM 735 CG GLN A 48 -0.322 -11.423 6.086 1.00 0.00 C ATOM 736 CD GLN A 48 -1.048 -12.508 6.887 1.00 0.00 C ATOM 737 OE1 GLN A 48 -2.258 -12.601 6.848 1.00 0.00 O ATOM 738 NE2 GLN A 48 -0.354 -13.340 7.615 1.00 0.00 N ATOM 0 H GLN A 48 0.320 -8.363 4.771 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.317 -9.758 5.333 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.286 -9.534 6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.217 -10.157 7.592 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.631 -11.461 5.041 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.753 -11.600 6.107 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.663 -13.263 7.649 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.828 -14.067 8.150 1.00 0.00 H new ATOM 747 N HIS A 49 -1.613 -6.843 5.508 1.00 0.00 N ATOM 748 CA HIS A 49 -1.988 -5.495 5.982 1.00 0.00 C ATOM 749 C HIS A 49 -3.304 -5.067 5.341 1.00 0.00 C ATOM 750 O HIS A 49 -3.323 -4.282 4.418 1.00 0.00 O ATOM 751 CB HIS A 49 -0.843 -4.616 5.500 1.00 0.00 C ATOM 752 CG HIS A 49 -0.994 -3.243 6.084 1.00 0.00 C ATOM 753 ND1 HIS A 49 -1.648 -2.125 5.634 1.00 0.00 N flip ATOM 754 CD2 HIS A 49 -0.436 -2.892 7.301 1.00 0.00 C flip ATOM 755 CE1 HIS A 49 -1.500 -1.091 6.556 1.00 0.00 C flip ATOM 756 NE2 HIS A 49 -0.761 -1.607 7.542 1.00 0.00 N flip ATOM 0 H HIS A 49 -1.163 -6.866 4.593 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.134 -5.440 7.061 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.113 -5.048 5.798 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.843 -4.563 4.411 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.153 -3.532 7.941 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -1.897 -0.089 6.488 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.478 -1.091 8.375 1.00 0.00 H new ATOM 764 N ILE A 50 -4.404 -5.582 5.819 1.00 0.00 N ATOM 765 CA ILE A 50 -5.713 -5.221 5.220 1.00 0.00 C ATOM 766 C ILE A 50 -5.865 -3.704 5.148 1.00 0.00 C ATOM 767 O ILE A 50 -5.664 -2.986 6.107 1.00 0.00 O ATOM 768 CB ILE A 50 -6.766 -5.816 6.152 1.00 0.00 C ATOM 769 CG1 ILE A 50 -6.695 -7.344 6.102 1.00 0.00 C ATOM 770 CG2 ILE A 50 -8.153 -5.349 5.712 1.00 0.00 C ATOM 771 CD1 ILE A 50 -7.139 -7.844 4.725 1.00 0.00 C ATOM 0 H ILE A 50 -4.449 -6.237 6.599 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.811 -5.601 4.203 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.578 -5.484 7.173 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.677 -7.676 6.308 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.332 -7.771 6.876 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.907 -5.772 6.376 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.201 -4.261 5.755 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.341 -5.680 4.691 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.085 -8.932 4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.164 -7.527 4.536 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.484 -7.430 3.959 1.00 0.00 H new ATOM 783 N VAL A 51 -6.199 -3.235 3.986 1.00 0.00 N ATOM 784 CA VAL A 51 -6.361 -1.772 3.742 1.00 0.00 C ATOM 785 C VAL A 51 -7.834 -1.361 3.896 1.00 0.00 C ATOM 786 O VAL A 51 -8.735 -2.133 3.628 1.00 0.00 O ATOM 787 CB VAL A 51 -5.890 -1.601 2.300 1.00 0.00 C ATOM 788 CG1 VAL A 51 -5.734 -0.121 1.997 1.00 0.00 C ATOM 789 CG2 VAL A 51 -4.536 -2.300 2.109 1.00 0.00 C ATOM 0 H VAL A 51 -6.373 -3.818 3.167 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.803 -1.152 4.444 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.624 -2.043 1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.398 0.006 0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.692 0.381 2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.000 0.314 2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.204 -2.175 1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.801 -1.860 2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.640 -3.362 2.330 1.00 0.00 H new ATOM 799 N GLN A 52 -8.086 -0.160 4.354 1.00 0.00 N ATOM 800 CA GLN A 52 -9.503 0.284 4.555 1.00 0.00 C ATOM 801 C GLN A 52 -9.933 1.350 3.553 1.00 0.00 C ATOM 802 O GLN A 52 -9.131 2.092 3.023 1.00 0.00 O ATOM 803 CB GLN A 52 -9.518 0.920 5.931 1.00 0.00 C ATOM 804 CG GLN A 52 -9.172 -0.129 6.989 1.00 0.00 C ATOM 805 CD GLN A 52 -10.419 -0.458 7.812 1.00 0.00 C ATOM 806 OE1 GLN A 52 -10.632 0.105 8.866 1.00 0.00 O ATOM 807 NE2 GLN A 52 -11.257 -1.356 7.372 1.00 0.00 N ATOM 0 H GLN A 52 -7.376 0.531 4.597 1.00 0.00 H new ATOM 0 HA GLN A 52 -10.177 -0.564 4.435 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.801 1.740 5.971 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -10.501 1.345 6.135 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.791 -1.031 6.510 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.382 0.244 7.641 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.079 -1.829 6.486 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.091 -1.585 7.914 1.00 0.00 H new ATOM 816 N ASP A 53 -11.215 1.453 3.328 1.00 0.00 N ATOM 817 CA ASP A 53 -11.730 2.495 2.404 1.00 0.00 C ATOM 818 C ASP A 53 -11.367 3.863 2.955 1.00 0.00 C ATOM 819 O ASP A 53 -11.779 4.266 4.026 1.00 0.00 O ATOM 820 CB ASP A 53 -13.236 2.285 2.367 1.00 0.00 C ATOM 821 CG ASP A 53 -13.957 3.607 2.077 1.00 0.00 C ATOM 822 OD1 ASP A 53 -14.160 3.907 0.912 1.00 0.00 O ATOM 823 OD2 ASP A 53 -14.294 4.295 3.027 1.00 0.00 O ATOM 0 H ASP A 53 -11.928 0.856 3.748 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.308 2.431 1.401 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.488 1.551 1.601 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.576 1.880 3.320 1.00 0.00 H new ATOM 828 N GLY A 54 -10.551 4.538 2.237 1.00 0.00 N ATOM 829 CA GLY A 54 -10.055 5.860 2.665 1.00 0.00 C ATOM 830 C GLY A 54 -8.590 5.658 3.024 1.00 0.00 C ATOM 831 O GLY A 54 -7.955 6.500 3.627 1.00 0.00 O ATOM 0 H GLY A 54 -10.189 4.223 1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.164 6.595 1.868 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.619 6.231 3.520 1.00 0.00 H new ATOM 835 N ASP A 55 -8.062 4.509 2.666 1.00 0.00 N ATOM 836 CA ASP A 55 -6.648 4.196 2.993 1.00 0.00 C ATOM 837 C ASP A 55 -5.661 5.119 2.268 1.00 0.00 C ATOM 838 O ASP A 55 -5.692 5.262 1.066 1.00 0.00 O ATOM 839 CB ASP A 55 -6.421 2.770 2.521 1.00 0.00 C ATOM 840 CG ASP A 55 -4.944 2.422 2.731 1.00 0.00 C ATOM 841 OD1 ASP A 55 -4.146 2.785 1.884 1.00 0.00 O ATOM 842 OD2 ASP A 55 -4.640 1.802 3.736 1.00 0.00 O ATOM 0 H ASP A 55 -8.559 3.777 2.159 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.478 4.330 4.061 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.056 2.081 3.077 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.688 2.671 1.469 1.00 0.00 H new ATOM 847 N GLN A 56 -4.748 5.701 2.991 1.00 0.00 N ATOM 848 CA GLN A 56 -3.716 6.566 2.347 1.00 0.00 C ATOM 849 C GLN A 56 -2.447 5.748 2.122 1.00 0.00 C ATOM 850 O GLN A 56 -2.217 4.766 2.785 1.00 0.00 O ATOM 851 CB GLN A 56 -3.461 7.688 3.354 1.00 0.00 C ATOM 852 CG GLN A 56 -2.080 8.287 3.100 1.00 0.00 C ATOM 853 CD GLN A 56 -2.051 9.748 3.550 1.00 0.00 C ATOM 854 OE1 GLN A 56 -2.700 10.115 4.510 1.00 0.00 O ATOM 855 NE2 GLN A 56 -1.315 10.605 2.895 1.00 0.00 N ATOM 0 H GLN A 56 -4.669 5.616 4.004 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.031 6.958 1.380 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.227 8.458 3.260 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.521 7.301 4.371 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.323 7.717 3.639 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.835 8.220 2.040 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.770 10.298 2.089 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.285 11.581 3.189 1.00 0.00 H new ATOM 864 N ILE A 57 -1.623 6.130 1.190 1.00 0.00 N ATOM 865 CA ILE A 57 -0.385 5.341 0.958 1.00 0.00 C ATOM 866 C ILE A 57 0.818 6.235 0.642 1.00 0.00 C ATOM 867 O ILE A 57 0.721 7.205 -0.082 1.00 0.00 O ATOM 868 CB ILE A 57 -0.697 4.474 -0.251 1.00 0.00 C ATOM 869 CG1 ILE A 57 -1.683 3.375 0.125 1.00 0.00 C ATOM 870 CG2 ILE A 57 0.590 3.842 -0.777 1.00 0.00 C ATOM 871 CD1 ILE A 57 -2.161 2.703 -1.159 1.00 0.00 C ATOM 0 H ILE A 57 -1.750 6.943 0.587 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.119 4.769 1.847 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.141 5.100 -1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.207 2.646 0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.528 3.793 0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.363 3.221 -1.644 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.289 4.627 -1.066 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.038 3.226 0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.869 1.911 -0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.648 3.441 -1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.308 2.276 -1.686 1.00 0.00 H new ATOM 883 N LEU A 58 1.961 5.858 1.129 1.00 0.00 N ATOM 884 CA LEU A 58 3.204 6.605 0.819 1.00 0.00 C ATOM 885 C LEU A 58 4.140 5.654 0.064 1.00 0.00 C ATOM 886 O LEU A 58 4.123 4.469 0.302 1.00 0.00 O ATOM 887 CB LEU A 58 3.784 6.996 2.172 1.00 0.00 C ATOM 888 CG LEU A 58 3.357 8.421 2.529 1.00 0.00 C ATOM 889 CD1 LEU A 58 3.970 8.818 3.874 1.00 0.00 C ATOM 890 CD2 LEU A 58 3.844 9.388 1.448 1.00 0.00 C ATOM 0 H LEU A 58 2.088 5.050 1.739 1.00 0.00 H new ATOM 0 HA LEU A 58 3.048 7.490 0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.441 6.301 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.872 6.929 2.144 1.00 0.00 H new ATOM 0 HG LEU A 58 2.270 8.465 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.665 9.833 4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.625 8.132 4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.057 8.772 3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.539 10.403 1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.931 9.342 1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.409 9.109 0.488 1.00 0.00 H new ATOM 902 N LEU A 59 4.938 6.132 -0.854 1.00 0.00 N ATOM 903 CA LEU A 59 5.837 5.191 -1.600 1.00 0.00 C ATOM 904 C LEU A 59 7.294 5.391 -1.174 1.00 0.00 C ATOM 905 O LEU A 59 7.752 6.501 -0.987 1.00 0.00 O ATOM 906 CB LEU A 59 5.655 5.530 -3.086 1.00 0.00 C ATOM 907 CG LEU A 59 6.365 4.486 -3.961 1.00 0.00 C ATOM 908 CD1 LEU A 59 7.883 4.606 -3.798 1.00 0.00 C ATOM 909 CD2 LEU A 59 5.921 3.079 -3.553 1.00 0.00 C ATOM 0 H LEU A 59 5.009 7.114 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 59 5.588 4.150 -1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.594 5.560 -3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.058 6.522 -3.292 1.00 0.00 H new ATOM 0 HG LEU A 59 6.101 4.664 -5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.376 3.861 -4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.204 5.603 -4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.151 4.439 -2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.428 2.342 -4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.176 2.906 -2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.843 2.985 -3.684 1.00 0.00 H new ATOM 921 N PHE A 60 8.026 4.318 -1.028 1.00 0.00 N ATOM 922 CA PHE A 60 9.455 4.432 -0.625 1.00 0.00 C ATOM 923 C PHE A 60 10.314 3.513 -1.496 1.00 0.00 C ATOM 924 O PHE A 60 9.862 2.482 -1.954 1.00 0.00 O ATOM 925 CB PHE A 60 9.497 3.972 0.833 1.00 0.00 C ATOM 926 CG PHE A 60 8.620 4.866 1.676 1.00 0.00 C ATOM 927 CD1 PHE A 60 8.582 6.245 1.432 1.00 0.00 C ATOM 928 CD2 PHE A 60 7.843 4.315 2.701 1.00 0.00 C ATOM 929 CE1 PHE A 60 7.770 7.072 2.217 1.00 0.00 C ATOM 930 CE2 PHE A 60 7.031 5.141 3.484 1.00 0.00 C ATOM 931 CZ PHE A 60 6.994 6.520 3.241 1.00 0.00 C ATOM 0 H PHE A 60 7.693 3.365 -1.172 1.00 0.00 H new ATOM 0 HA PHE A 60 9.839 5.445 -0.743 1.00 0.00 H new ATOM 0 HB2 PHE A 60 9.158 2.939 0.908 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.522 3.999 1.203 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.179 6.670 0.639 1.00 0.00 H new ATOM 0 HD2 PHE A 60 7.871 3.252 2.887 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.743 8.136 2.032 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.432 4.716 4.276 1.00 0.00 H new ATOM 0 HZ PHE A 60 6.366 7.158 3.845 1.00 0.00 H new ATOM 941 N GLN A 61 11.549 3.866 -1.719 1.00 0.00 N ATOM 942 CA GLN A 61 12.427 2.993 -2.548 1.00 0.00 C ATOM 943 C GLN A 61 13.567 2.442 -1.696 1.00 0.00 C ATOM 944 O GLN A 61 14.223 3.167 -0.977 1.00 0.00 O ATOM 945 CB GLN A 61 12.986 3.889 -3.654 1.00 0.00 C ATOM 946 CG GLN A 61 11.849 4.389 -4.546 1.00 0.00 C ATOM 947 CD GLN A 61 12.131 5.832 -4.964 1.00 0.00 C ATOM 948 OE1 GLN A 61 12.739 6.584 -4.229 1.00 0.00 O ATOM 949 NE2 GLN A 61 11.711 6.256 -6.126 1.00 0.00 N ATOM 0 H GLN A 61 11.987 4.717 -1.365 1.00 0.00 H new ATOM 0 HA GLN A 61 11.879 2.144 -2.958 1.00 0.00 H new ATOM 0 HB2 GLN A 61 13.514 4.735 -3.215 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.711 3.335 -4.251 1.00 0.00 H new ATOM 0 HG2 GLN A 61 11.757 3.754 -5.427 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.901 4.332 -4.012 1.00 0.00 H new ATOM 0 HE21 GLN A 61 11.200 5.626 -6.745 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.894 7.217 -6.415 1.00 0.00 H new ATOM 958 N VAL A 62 13.812 1.169 -1.779 1.00 0.00 N ATOM 959 CA VAL A 62 14.916 0.569 -0.983 1.00 0.00 C ATOM 960 C VAL A 62 15.075 -0.900 -1.352 1.00 0.00 C ATOM 961 O VAL A 62 14.113 -1.637 -1.443 1.00 0.00 O ATOM 962 CB VAL A 62 14.490 0.700 0.478 1.00 0.00 C ATOM 963 CG1 VAL A 62 13.075 0.141 0.645 1.00 0.00 C ATOM 964 CG2 VAL A 62 15.460 -0.097 1.356 1.00 0.00 C ATOM 0 H VAL A 62 13.295 0.514 -2.365 1.00 0.00 H new ATOM 0 HA VAL A 62 15.869 1.063 -1.169 1.00 0.00 H new ATOM 0 HB VAL A 62 14.503 1.749 0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 62 12.768 0.233 1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.386 0.701 0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 62 13.062 -0.909 0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.162 -0.008 2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 62 15.440 -1.146 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 62 16.469 0.295 1.232 1.00 0.00 H new ATOM 974 N ILE A 63 16.279 -1.339 -1.547 1.00 0.00 N ATOM 975 CA ILE A 63 16.498 -2.763 -1.887 1.00 0.00 C ATOM 976 C ILE A 63 17.361 -3.375 -0.793 1.00 0.00 C ATOM 977 O ILE A 63 18.570 -3.250 -0.793 1.00 0.00 O ATOM 978 CB ILE A 63 17.220 -2.747 -3.237 1.00 0.00 C ATOM 979 CG1 ILE A 63 16.189 -2.609 -4.364 1.00 0.00 C ATOM 980 CG2 ILE A 63 17.997 -4.053 -3.423 1.00 0.00 C ATOM 981 CD1 ILE A 63 15.285 -1.396 -4.107 1.00 0.00 C ATOM 0 H ILE A 63 17.124 -0.771 -1.485 1.00 0.00 H new ATOM 0 HA ILE A 63 15.582 -3.350 -1.956 1.00 0.00 H new ATOM 0 HB ILE A 63 17.912 -1.905 -3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.698 -2.496 -5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 63 15.586 -3.515 -4.428 1.00 0.00 H new ATOM 0 HG21 ILE A 63 18.509 -4.038 -4.385 1.00 0.00 H new ATOM 0 HG22 ILE A 63 18.730 -4.157 -2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.306 -4.895 -3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 63 14.557 -1.308 -4.913 1.00 0.00 H new ATOM 0 HD12 ILE A 63 14.763 -1.526 -3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 63 15.892 -0.492 -4.066 1.00 0.00 H new ATOM 993 N ALA A 64 16.747 -4.011 0.155 1.00 0.00 N ATOM 994 CA ALA A 64 17.527 -4.603 1.266 1.00 0.00 C ATOM 995 C ALA A 64 17.252 -6.105 1.371 1.00 0.00 C ATOM 996 O ALA A 64 16.288 -6.606 0.830 1.00 0.00 O ATOM 997 CB ALA A 64 17.034 -3.859 2.502 1.00 0.00 C ATOM 0 H ALA A 64 15.738 -4.147 0.209 1.00 0.00 H new ATOM 0 HA ALA A 64 18.604 -4.505 1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 64 17.557 -4.230 3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.229 -2.793 2.387 1.00 0.00 H new ATOM 0 HB3 ALA A 64 15.963 -4.021 2.621 1.00 0.00 H new ATOM 1003 N GLY A 65 18.088 -6.825 2.065 1.00 0.00 N ATOM 1004 CA GLY A 65 17.866 -8.292 2.201 1.00 0.00 C ATOM 1005 C GLY A 65 17.502 -8.616 3.649 1.00 0.00 C ATOM 1006 O GLY A 65 16.957 -9.660 3.946 1.00 0.00 O ATOM 0 H GLY A 65 18.913 -6.463 2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.068 -8.614 1.533 1.00 0.00 H new ATOM 0 HA3 GLY A 65 18.764 -8.836 1.909 1.00 0.00 H new ATOM 1010 N GLY A 66 17.799 -7.725 4.552 1.00 0.00 N ATOM 1011 CA GLY A 66 17.473 -7.973 5.985 1.00 0.00 C ATOM 1012 C GLY A 66 18.188 -6.939 6.857 1.00 0.00 C ATOM 1013 O GLY A 66 17.530 -6.010 7.300 1.00 0.00 O ATOM 1014 OXT GLY A 66 19.381 -7.090 7.064 1.00 0.00 O ATOM 0 H GLY A 66 18.255 -6.833 4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.396 -7.912 6.140 1.00 0.00 H new ATOM 0 HA3 GLY A 66 17.780 -8.979 6.270 1.00 0.00 H new TER 1018 GLY A 66