USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=6 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 39 GLN : amide:sc= -3.43! C(o=-13!,f=-13!) USER MOD Set 1.2: A 49 HIS : no HE2:sc= -9.9! C(o=-13!,f=-12!) USER MOD Set 2.1: A 12 CYS SG : rot 83:sc= -10.2! USER MOD Set 2.2: A 16 GLN : amide:sc= -12.5! C(o=-24!,f=-34!) USER MOD Set 2.3: A 24 GLN : amide:sc= -1.59 K(o=-24,f=-29!) USER MOD Single : A 1 MET CE :methyl -172:sc= -7.14! (180deg=-7.48!) USER MOD Single : A 1 MET N :NH3+ -166:sc= 0.0832 (180deg=0.0443) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN : amide:sc= -1.02 K(o=-1,f=-0.094) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 10 MET CE :methyl 137:sc= -5.12! (180deg=-7.86!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 123:sc= 1.45 USER MOD Single : A 19 HIS : no HD1:sc= -0.848 X(o=-0.85,f=-0.42) USER MOD Single : A 27 GLN : amide:sc= -5.55! C(o=-5.6!,f=-5.4!) USER MOD Single : A 29 GLN : amide:sc= -23.9! C(o=-24!,f=-27!) USER MOD Single : A 37 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.63) USER MOD Single : A 38 GLN : amide:sc= -3.42! C(o=-3.4!,f=-6!) USER MOD Single : A 45 GLN : amide:sc= -0.0143 K(o=-0.014,f=-1.6) USER MOD Single : A 48 GLN : amide:sc= -0.425 K(o=-0.42,f=-3.2!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.405 X(o=-0.4,f=-0.12) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.207 1.082 2.240 1.00 0.00 N ATOM 2 CA MET A 1 13.193 1.791 1.408 1.00 0.00 C ATOM 3 C MET A 1 12.393 2.775 2.256 1.00 0.00 C ATOM 4 O MET A 1 12.385 2.720 3.470 1.00 0.00 O ATOM 5 CB MET A 1 12.265 0.685 0.869 1.00 0.00 C ATOM 6 CG MET A 1 10.838 0.861 1.415 1.00 0.00 C ATOM 7 SD MET A 1 9.748 -0.434 0.773 1.00 0.00 S ATOM 8 CE MET A 1 9.459 0.289 -0.854 1.00 0.00 C ATOM 0 H1 MET A 1 14.890 0.602 1.620 1.00 0.00 H new ATOM 0 H2 MET A 1 14.707 1.770 2.839 1.00 0.00 H new ATOM 0 H3 MET A 1 13.732 0.379 2.842 1.00 0.00 H new ATOM 0 HA MET A 1 13.660 2.365 0.608 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.249 0.715 -0.220 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.652 -0.293 1.155 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.852 0.825 2.504 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.453 1.841 1.133 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.691 -0.282 -1.375 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.129 1.321 -0.740 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.383 0.265 -1.432 1.00 0.00 H new ATOM 20 N GLN A 2 11.674 3.632 1.604 1.00 0.00 N ATOM 21 CA GLN A 2 10.813 4.593 2.326 1.00 0.00 C ATOM 22 C GLN A 2 9.574 4.829 1.514 1.00 0.00 C ATOM 23 O GLN A 2 9.548 4.633 0.310 1.00 0.00 O ATOM 24 CB GLN A 2 11.622 5.856 2.456 1.00 0.00 C ATOM 25 CG GLN A 2 10.710 7.031 2.811 1.00 0.00 C ATOM 26 CD GLN A 2 11.531 8.096 3.530 1.00 0.00 C ATOM 27 OE1 GLN A 2 11.337 8.341 4.703 1.00 0.00 O ATOM 28 NE2 GLN A 2 12.457 8.737 2.873 1.00 0.00 N ATOM 0 H GLN A 2 11.646 3.709 0.587 1.00 0.00 H new ATOM 0 HA GLN A 2 10.507 4.232 3.308 1.00 0.00 H new ATOM 0 HB2 GLN A 2 12.384 5.731 3.226 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.144 6.060 1.521 1.00 0.00 H new ATOM 0 HG2 GLN A 2 10.262 7.446 1.908 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.891 6.694 3.447 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.619 8.530 1.887 1.00 0.00 H new ATOM 0 HE22 GLN A 2 13.019 9.445 3.345 1.00 0.00 H new ATOM 37 N ILE A 3 8.514 5.152 2.171 1.00 0.00 N ATOM 38 CA ILE A 3 7.254 5.287 1.449 1.00 0.00 C ATOM 39 C ILE A 3 6.354 6.358 2.051 1.00 0.00 C ATOM 40 O ILE A 3 6.616 6.914 3.095 1.00 0.00 O ATOM 41 CB ILE A 3 6.617 3.901 1.625 1.00 0.00 C ATOM 42 CG1 ILE A 3 5.705 3.913 2.867 1.00 0.00 C ATOM 43 CG2 ILE A 3 7.710 2.827 1.806 1.00 0.00 C ATOM 44 CD1 ILE A 3 5.710 2.556 3.588 1.00 0.00 C ATOM 0 H ILE A 3 8.471 5.327 3.175 1.00 0.00 H new ATOM 0 HA ILE A 3 7.400 5.588 0.412 1.00 0.00 H new ATOM 0 HB ILE A 3 6.033 3.665 0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.036 4.692 3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.687 4.163 2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.243 1.850 1.930 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.355 2.812 0.927 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.305 3.059 2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.055 2.604 4.458 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.354 1.782 2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.724 2.318 3.909 1.00 0.00 H new ATOM 56 N LEU A 4 5.251 6.573 1.419 1.00 0.00 N ATOM 57 CA LEU A 4 4.255 7.520 1.949 1.00 0.00 C ATOM 58 C LEU A 4 2.937 6.788 2.044 1.00 0.00 C ATOM 59 O LEU A 4 2.312 6.473 1.052 1.00 0.00 O ATOM 60 CB LEU A 4 4.159 8.641 0.923 1.00 0.00 C ATOM 61 CG LEU A 4 3.228 9.733 1.460 1.00 0.00 C ATOM 62 CD1 LEU A 4 1.789 9.274 1.281 1.00 0.00 C ATOM 63 CD2 LEU A 4 3.501 9.952 2.944 1.00 0.00 C ATOM 0 H LEU A 4 4.992 6.124 0.540 1.00 0.00 H new ATOM 0 HA LEU A 4 4.517 7.916 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.148 9.054 0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.779 8.254 -0.022 1.00 0.00 H new ATOM 0 HG LEU A 4 3.398 10.664 0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.113 10.041 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.590 9.104 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.631 8.347 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.838 10.729 3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.323 9.024 3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.538 10.260 3.082 1.00 0.00 H new ATOM 75 N PHE A 5 2.512 6.507 3.224 1.00 0.00 N ATOM 76 CA PHE A 5 1.232 5.792 3.365 1.00 0.00 C ATOM 77 C PHE A 5 0.184 6.778 3.879 1.00 0.00 C ATOM 78 O PHE A 5 0.167 7.118 5.035 1.00 0.00 O ATOM 79 CB PHE A 5 1.518 4.686 4.384 1.00 0.00 C ATOM 80 CG PHE A 5 0.306 3.794 4.538 1.00 0.00 C ATOM 81 CD1 PHE A 5 -0.827 4.244 5.230 1.00 0.00 C ATOM 82 CD2 PHE A 5 0.325 2.506 3.993 1.00 0.00 C ATOM 83 CE1 PHE A 5 -1.939 3.403 5.377 1.00 0.00 C ATOM 84 CE2 PHE A 5 -0.785 1.667 4.137 1.00 0.00 C ATOM 85 CZ PHE A 5 -1.916 2.114 4.830 1.00 0.00 C ATOM 0 H PHE A 5 2.989 6.738 4.095 1.00 0.00 H new ATOM 0 HA PHE A 5 0.852 5.372 2.434 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.375 4.095 4.060 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.780 5.126 5.346 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.843 5.239 5.650 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.198 2.159 3.460 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.812 3.749 5.911 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.769 0.674 3.713 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.771 1.464 4.943 1.00 0.00 H new ATOM 95 N ASN A 6 -0.677 7.261 3.028 1.00 0.00 N ATOM 96 CA ASN A 6 -1.693 8.249 3.491 1.00 0.00 C ATOM 97 C ASN A 6 -0.990 9.500 4.002 1.00 0.00 C ATOM 98 O ASN A 6 -1.150 9.927 5.129 1.00 0.00 O ATOM 99 CB ASN A 6 -2.488 7.521 4.584 1.00 0.00 C ATOM 100 CG ASN A 6 -3.680 8.363 5.048 1.00 0.00 C ATOM 101 OD1 ASN A 6 -4.050 8.322 6.207 1.00 0.00 O ATOM 102 ND2 ASN A 6 -4.311 9.116 4.193 1.00 0.00 N ATOM 0 H ASN A 6 -0.722 7.017 2.039 1.00 0.00 H new ATOM 0 HA ASN A 6 -2.363 8.587 2.701 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.841 6.562 4.204 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.837 7.308 5.432 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -5.113 9.669 4.495 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.003 9.152 3.221 1.00 0.00 H new ATOM 109 N ASP A 7 -0.207 10.065 3.134 1.00 0.00 N ATOM 110 CA ASP A 7 0.574 11.301 3.437 1.00 0.00 C ATOM 111 C ASP A 7 1.460 11.093 4.659 1.00 0.00 C ATOM 112 O ASP A 7 1.927 12.037 5.266 1.00 0.00 O ATOM 113 CB ASP A 7 -0.415 12.436 3.677 1.00 0.00 C ATOM 114 CG ASP A 7 -1.768 12.143 3.019 1.00 0.00 C ATOM 115 OD1 ASP A 7 -1.857 12.275 1.811 1.00 0.00 O ATOM 116 OD2 ASP A 7 -2.690 11.799 3.739 1.00 0.00 O ATOM 0 H ASP A 7 -0.068 9.710 2.188 1.00 0.00 H new ATOM 0 HA ASP A 7 1.228 11.544 2.599 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.553 12.581 4.749 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.008 13.366 3.279 1.00 0.00 H new ATOM 121 N GLN A 8 1.727 9.871 5.010 1.00 0.00 N ATOM 122 CA GLN A 8 2.607 9.614 6.164 1.00 0.00 C ATOM 123 C GLN A 8 3.888 8.956 5.652 1.00 0.00 C ATOM 124 O GLN A 8 3.845 7.944 4.989 1.00 0.00 O ATOM 125 CB GLN A 8 1.795 8.661 7.020 1.00 0.00 C ATOM 126 CG GLN A 8 2.726 7.743 7.781 1.00 0.00 C ATOM 127 CD GLN A 8 1.962 7.038 8.904 1.00 0.00 C ATOM 128 OE1 GLN A 8 0.878 6.533 8.688 1.00 0.00 O ATOM 129 NE2 GLN A 8 2.484 6.977 10.099 1.00 0.00 N ATOM 0 H GLN A 8 1.369 9.038 4.542 1.00 0.00 H new ATOM 0 HA GLN A 8 2.903 10.503 6.721 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.172 9.223 7.716 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.123 8.075 6.393 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.157 7.005 7.104 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.555 8.316 8.197 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.394 7.401 10.280 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.982 6.505 10.851 1.00 0.00 H new ATOM 138 N ALA A 9 5.021 9.511 5.934 1.00 0.00 N ATOM 139 CA ALA A 9 6.264 8.886 5.423 1.00 0.00 C ATOM 140 C ALA A 9 6.588 7.606 6.197 1.00 0.00 C ATOM 141 O ALA A 9 6.271 7.469 7.364 1.00 0.00 O ATOM 142 CB ALA A 9 7.345 9.938 5.623 1.00 0.00 C ATOM 0 H ALA A 9 5.144 10.359 6.488 1.00 0.00 H new ATOM 0 HA ALA A 9 6.175 8.591 4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.300 9.551 5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.087 10.836 5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.424 10.182 6.682 1.00 0.00 H new ATOM 148 N MET A 10 7.205 6.661 5.539 1.00 0.00 N ATOM 149 CA MET A 10 7.538 5.364 6.214 1.00 0.00 C ATOM 150 C MET A 10 8.863 4.793 5.747 1.00 0.00 C ATOM 151 O MET A 10 9.485 5.270 4.827 1.00 0.00 O ATOM 152 CB MET A 10 6.491 4.386 5.731 1.00 0.00 C ATOM 153 CG MET A 10 6.076 3.444 6.849 1.00 0.00 C ATOM 154 SD MET A 10 4.838 4.249 7.887 1.00 0.00 S ATOM 155 CE MET A 10 3.461 4.086 6.726 1.00 0.00 C ATOM 0 H MET A 10 7.494 6.727 4.563 1.00 0.00 H new ATOM 0 HA MET A 10 7.579 5.522 7.292 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.620 4.930 5.365 1.00 0.00 H new ATOM 0 HB3 MET A 10 6.883 3.811 4.892 1.00 0.00 H new ATOM 0 HG2 MET A 10 5.672 2.522 6.431 1.00 0.00 H new ATOM 0 HG3 MET A 10 6.944 3.168 7.448 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.565 3.779 7.265 1.00 0.00 H new ATOM 0 HE2 MET A 10 3.281 5.044 6.239 1.00 0.00 H new ATOM 0 HE3 MET A 10 3.706 3.337 5.973 1.00 0.00 H new ATOM 165 N GLN A 11 9.237 3.704 6.338 1.00 0.00 N ATOM 166 CA GLN A 11 10.463 3.007 5.912 1.00 0.00 C ATOM 167 C GLN A 11 10.263 1.520 6.113 1.00 0.00 C ATOM 168 O GLN A 11 9.998 1.033 7.196 1.00 0.00 O ATOM 169 CB GLN A 11 11.625 3.515 6.752 1.00 0.00 C ATOM 170 CG GLN A 11 11.142 4.533 7.799 1.00 0.00 C ATOM 171 CD GLN A 11 12.321 5.035 8.630 1.00 0.00 C ATOM 172 OE1 GLN A 11 13.075 5.885 8.193 1.00 0.00 O ATOM 173 NE2 GLN A 11 12.509 4.544 9.822 1.00 0.00 N ATOM 0 H GLN A 11 8.736 3.263 7.109 1.00 0.00 H new ATOM 0 HA GLN A 11 10.679 3.196 4.861 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.112 2.677 7.251 1.00 0.00 H new ATOM 0 HB3 GLN A 11 12.371 3.978 6.106 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.654 5.372 7.303 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.399 4.072 8.450 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.876 3.832 10.186 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.289 4.872 10.391 1.00 0.00 H new ATOM 182 N CYS A 12 10.358 0.814 5.051 1.00 0.00 N ATOM 183 CA CYS A 12 10.149 -0.660 5.088 1.00 0.00 C ATOM 184 C CYS A 12 11.056 -1.357 4.075 1.00 0.00 C ATOM 185 O CYS A 12 12.140 -0.893 3.774 1.00 0.00 O ATOM 186 CB CYS A 12 8.658 -0.849 4.766 1.00 0.00 C ATOM 187 SG CYS A 12 8.182 0.225 3.392 1.00 0.00 S ATOM 0 H CYS A 12 10.576 1.191 4.129 1.00 0.00 H new ATOM 0 HA CYS A 12 10.403 -1.101 6.052 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.462 -1.890 4.510 1.00 0.00 H new ATOM 0 HB3 CYS A 12 8.056 -0.618 5.645 1.00 0.00 H new ATOM 0 HG CYS A 12 8.501 -0.342 2.267 1.00 0.00 H new ATOM 193 N ALA A 13 10.649 -2.493 3.599 1.00 0.00 N ATOM 194 CA ALA A 13 11.498 -3.263 2.659 1.00 0.00 C ATOM 195 C ALA A 13 11.267 -2.897 1.199 1.00 0.00 C ATOM 196 O ALA A 13 10.248 -3.187 0.622 1.00 0.00 O ATOM 197 CB ALA A 13 11.109 -4.719 2.889 1.00 0.00 C ATOM 0 H ALA A 13 9.753 -2.926 3.824 1.00 0.00 H new ATOM 0 HA ALA A 13 12.551 -3.053 2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.694 -5.360 2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.307 -4.989 3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.048 -4.850 2.676 1.00 0.00 H new ATOM 203 N ALA A 14 12.229 -2.284 0.587 1.00 0.00 N ATOM 204 CA ALA A 14 12.084 -1.938 -0.851 1.00 0.00 C ATOM 205 C ALA A 14 11.911 -3.217 -1.665 1.00 0.00 C ATOM 206 O ALA A 14 12.463 -4.250 -1.347 1.00 0.00 O ATOM 207 CB ALA A 14 13.383 -1.251 -1.242 1.00 0.00 C ATOM 0 H ALA A 14 13.111 -2.006 1.016 1.00 0.00 H new ATOM 0 HA ALA A 14 11.220 -1.300 -1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.343 -0.969 -2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.521 -0.358 -0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.218 -1.933 -1.081 1.00 0.00 H new ATOM 213 N GLY A 15 11.145 -3.155 -2.707 1.00 0.00 N ATOM 214 CA GLY A 15 10.925 -4.358 -3.542 1.00 0.00 C ATOM 215 C GLY A 15 9.938 -5.268 -2.829 1.00 0.00 C ATOM 216 O GLY A 15 9.769 -6.421 -3.169 1.00 0.00 O ATOM 0 H GLY A 15 10.657 -2.316 -3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.539 -4.074 -4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.867 -4.879 -3.710 1.00 0.00 H new ATOM 220 N GLN A 16 9.275 -4.741 -1.838 1.00 0.00 N ATOM 221 CA GLN A 16 8.278 -5.547 -1.090 1.00 0.00 C ATOM 222 C GLN A 16 6.877 -5.146 -1.555 1.00 0.00 C ATOM 223 O GLN A 16 6.534 -3.985 -1.553 1.00 0.00 O ATOM 224 CB GLN A 16 8.505 -5.178 0.373 1.00 0.00 C ATOM 225 CG GLN A 16 7.806 -3.856 0.703 1.00 0.00 C ATOM 226 CD GLN A 16 8.044 -3.505 2.171 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.424 -2.398 2.486 1.00 0.00 O ATOM 228 NE2 GLN A 16 7.847 -4.414 3.088 1.00 0.00 N ATOM 0 H GLN A 16 9.384 -3.780 -1.514 1.00 0.00 H new ATOM 0 HA GLN A 16 8.376 -6.621 -1.245 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.124 -5.970 1.018 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.573 -5.092 0.572 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.187 -3.061 0.062 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.737 -3.939 0.507 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.527 -5.345 2.822 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.013 -4.192 4.070 1.00 0.00 H new ATOM 237 N THR A 17 6.079 -6.078 -1.989 1.00 0.00 N ATOM 238 CA THR A 17 4.729 -5.695 -2.484 1.00 0.00 C ATOM 239 C THR A 17 3.966 -4.871 -1.454 1.00 0.00 C ATOM 240 O THR A 17 4.486 -4.407 -0.462 1.00 0.00 O ATOM 241 CB THR A 17 3.912 -6.970 -2.690 1.00 0.00 C ATOM 242 OG1 THR A 17 3.331 -7.350 -1.454 1.00 0.00 O ATOM 243 CG2 THR A 17 4.767 -8.125 -3.175 1.00 0.00 C ATOM 0 H THR A 17 6.297 -7.074 -2.023 1.00 0.00 H new ATOM 0 HA THR A 17 4.863 -5.118 -3.399 1.00 0.00 H new ATOM 0 HB THR A 17 3.155 -6.755 -3.445 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.358 -7.404 -1.553 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.143 -9.009 -3.307 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.229 -7.861 -4.126 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.544 -8.336 -2.440 1.00 0.00 H new ATOM 251 N VAL A 18 2.696 -4.763 -1.704 1.00 0.00 N ATOM 252 CA VAL A 18 1.758 -4.058 -0.796 1.00 0.00 C ATOM 253 C VAL A 18 1.457 -4.975 0.346 1.00 0.00 C ATOM 254 O VAL A 18 1.699 -4.674 1.494 1.00 0.00 O ATOM 255 CB VAL A 18 0.528 -3.951 -1.620 1.00 0.00 C ATOM 256 CG1 VAL A 18 -0.585 -3.278 -0.840 1.00 0.00 C ATOM 257 CG2 VAL A 18 0.866 -3.197 -2.882 1.00 0.00 C ATOM 0 H VAL A 18 2.252 -5.152 -2.536 1.00 0.00 H new ATOM 0 HA VAL A 18 2.131 -3.106 -0.418 1.00 0.00 H new ATOM 0 HB VAL A 18 0.165 -4.944 -1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.477 -3.210 -1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.809 -3.863 0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.270 -2.276 -0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.026 -3.107 -3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.231 -2.202 -2.625 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.638 -3.736 -3.432 1.00 0.00 H new ATOM 267 N HIS A 19 0.988 -6.155 0.020 1.00 0.00 N ATOM 268 CA HIS A 19 0.749 -7.141 1.076 1.00 0.00 C ATOM 269 C HIS A 19 2.031 -7.183 1.873 1.00 0.00 C ATOM 270 O HIS A 19 2.059 -7.439 3.059 1.00 0.00 O ATOM 271 CB HIS A 19 0.546 -8.453 0.325 1.00 0.00 C ATOM 272 CG HIS A 19 0.214 -9.540 1.304 1.00 0.00 C ATOM 273 ND1 HIS A 19 -1.007 -10.192 1.302 1.00 0.00 N ATOM 274 CD2 HIS A 19 0.939 -10.099 2.327 1.00 0.00 C ATOM 275 CE1 HIS A 19 -0.982 -11.097 2.296 1.00 0.00 C ATOM 276 NE2 HIS A 19 0.181 -11.082 2.953 1.00 0.00 N ATOM 0 H HIS A 19 0.767 -6.460 -0.928 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.095 -6.935 1.734 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.257 -8.347 -0.404 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.448 -8.711 -0.230 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.945 -9.818 2.603 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.803 -11.757 2.535 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.454 -11.666 3.744 1.00 0.00 H new ATOM 284 N GLU A 20 3.103 -6.867 1.197 1.00 0.00 N ATOM 285 CA GLU A 20 4.420 -6.825 1.882 1.00 0.00 C ATOM 286 C GLU A 20 4.591 -5.464 2.540 1.00 0.00 C ATOM 287 O GLU A 20 5.158 -5.340 3.609 1.00 0.00 O ATOM 288 CB GLU A 20 5.461 -7.068 0.796 1.00 0.00 C ATOM 289 CG GLU A 20 5.574 -8.574 0.548 1.00 0.00 C ATOM 290 CD GLU A 20 7.002 -9.037 0.840 1.00 0.00 C ATOM 291 OE1 GLU A 20 7.308 -9.253 2.003 1.00 0.00 O ATOM 292 OE2 GLU A 20 7.765 -9.166 -0.101 1.00 0.00 O ATOM 0 H GLU A 20 3.120 -6.637 0.203 1.00 0.00 H new ATOM 0 HA GLU A 20 4.517 -7.574 2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.175 -6.555 -0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.426 -6.662 1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.870 -9.111 1.183 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.311 -8.803 -0.485 1.00 0.00 H new ATOM 299 N LEU A 21 4.078 -4.436 1.921 1.00 0.00 N ATOM 300 CA LEU A 21 4.183 -3.085 2.530 1.00 0.00 C ATOM 301 C LEU A 21 3.217 -3.021 3.715 1.00 0.00 C ATOM 302 O LEU A 21 3.621 -2.889 4.850 1.00 0.00 O ATOM 303 CB LEU A 21 3.745 -2.145 1.398 1.00 0.00 C ATOM 304 CG LEU A 21 4.176 -0.702 1.671 1.00 0.00 C ATOM 305 CD1 LEU A 21 3.425 -0.163 2.884 1.00 0.00 C ATOM 306 CD2 LEU A 21 5.682 -0.639 1.931 1.00 0.00 C ATOM 0 H LEU A 21 3.593 -4.475 1.024 1.00 0.00 H new ATOM 0 HA LEU A 21 5.174 -2.829 2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.176 -2.483 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.662 -2.188 1.286 1.00 0.00 H new ATOM 0 HG LEU A 21 3.942 -0.093 0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.734 0.865 3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.353 -0.189 2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.651 -0.779 3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.975 0.393 2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.928 -1.254 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.218 -1.011 1.058 1.00 0.00 H new ATOM 318 N LEU A 22 1.944 -3.174 3.458 1.00 0.00 N ATOM 319 CA LEU A 22 0.948 -3.165 4.567 1.00 0.00 C ATOM 320 C LEU A 22 1.459 -4.021 5.714 1.00 0.00 C ATOM 321 O LEU A 22 1.553 -3.594 6.848 1.00 0.00 O ATOM 322 CB LEU A 22 -0.295 -3.840 3.983 1.00 0.00 C ATOM 323 CG LEU A 22 -0.797 -3.094 2.745 1.00 0.00 C ATOM 324 CD1 LEU A 22 -2.262 -3.471 2.493 1.00 0.00 C ATOM 325 CD2 LEU A 22 -0.687 -1.579 2.954 1.00 0.00 C ATOM 0 H LEU A 22 1.552 -3.305 2.526 1.00 0.00 H new ATOM 0 HA LEU A 22 0.756 -2.158 4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.062 -4.872 3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.083 -3.873 4.736 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.186 -3.374 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.627 -2.943 1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.338 -4.546 2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.863 -3.192 3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.048 -1.062 2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.289 -1.286 3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.354 -1.311 3.132 1.00 0.00 H new ATOM 337 N GLU A 23 1.778 -5.242 5.404 1.00 0.00 N ATOM 338 CA GLU A 23 2.280 -6.183 6.445 1.00 0.00 C ATOM 339 C GLU A 23 3.521 -5.615 7.134 1.00 0.00 C ATOM 340 O GLU A 23 3.615 -5.611 8.346 1.00 0.00 O ATOM 341 CB GLU A 23 2.629 -7.454 5.677 1.00 0.00 C ATOM 342 CG GLU A 23 2.966 -8.583 6.653 1.00 0.00 C ATOM 343 CD GLU A 23 2.073 -9.789 6.353 1.00 0.00 C ATOM 344 OE1 GLU A 23 1.814 -10.033 5.185 1.00 0.00 O ATOM 345 OE2 GLU A 23 1.665 -10.449 7.294 1.00 0.00 O ATOM 0 H GLU A 23 1.713 -5.635 4.465 1.00 0.00 H new ATOM 0 HA GLU A 23 1.545 -6.360 7.230 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.791 -7.748 5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.477 -7.268 5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.016 -8.860 6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.815 -8.250 7.680 1.00 0.00 H new ATOM 352 N GLN A 24 4.472 -5.126 6.388 1.00 0.00 N ATOM 353 CA GLN A 24 5.686 -4.565 7.043 1.00 0.00 C ATOM 354 C GLN A 24 5.271 -3.400 7.942 1.00 0.00 C ATOM 355 O GLN A 24 5.811 -3.212 9.016 1.00 0.00 O ATOM 356 CB GLN A 24 6.593 -4.103 5.904 1.00 0.00 C ATOM 357 CG GLN A 24 7.990 -3.804 6.460 1.00 0.00 C ATOM 358 CD GLN A 24 8.888 -5.034 6.293 1.00 0.00 C ATOM 359 OE1 GLN A 24 9.649 -5.119 5.351 1.00 0.00 O ATOM 360 NE2 GLN A 24 8.832 -5.998 7.171 1.00 0.00 N ATOM 0 H GLN A 24 4.463 -5.090 5.369 1.00 0.00 H new ATOM 0 HA GLN A 24 6.205 -5.289 7.672 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.652 -4.873 5.135 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.178 -3.212 5.432 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.424 -2.951 5.938 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.922 -3.532 7.513 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.194 -5.929 7.964 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.427 -6.820 7.065 1.00 0.00 H new ATOM 369 N LEU A 25 4.285 -2.642 7.544 1.00 0.00 N ATOM 370 CA LEU A 25 3.815 -1.536 8.410 1.00 0.00 C ATOM 371 C LEU A 25 3.062 -2.156 9.594 1.00 0.00 C ATOM 372 O LEU A 25 2.880 -1.536 10.625 1.00 0.00 O ATOM 373 CB LEU A 25 2.878 -0.724 7.519 1.00 0.00 C ATOM 374 CG LEU A 25 3.638 -0.256 6.277 1.00 0.00 C ATOM 375 CD1 LEU A 25 2.803 0.763 5.498 1.00 0.00 C ATOM 376 CD2 LEU A 25 4.963 0.374 6.695 1.00 0.00 C ATOM 0 H LEU A 25 3.789 -2.744 6.658 1.00 0.00 H new ATOM 0 HA LEU A 25 4.612 -0.910 8.811 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.020 -1.330 7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.490 0.135 8.067 1.00 0.00 H new ATOM 0 HG LEU A 25 3.831 -1.115 5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.355 1.088 4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.864 0.304 5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.594 1.624 6.133 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.503 0.707 5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.771 1.228 7.345 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.563 -0.362 7.230 1.00 0.00 H new ATOM 388 N ASP A 26 2.633 -3.395 9.425 1.00 0.00 N ATOM 389 CA ASP A 26 1.890 -4.148 10.485 1.00 0.00 C ATOM 390 C ASP A 26 0.398 -3.840 10.400 1.00 0.00 C ATOM 391 O ASP A 26 -0.304 -3.799 11.391 1.00 0.00 O ATOM 392 CB ASP A 26 2.461 -3.678 11.809 1.00 0.00 C ATOM 393 CG ASP A 26 2.218 -4.740 12.876 1.00 0.00 C ATOM 394 OD1 ASP A 26 1.083 -4.886 13.300 1.00 0.00 O ATOM 395 OD2 ASP A 26 3.175 -5.396 13.254 1.00 0.00 O ATOM 0 H ASP A 26 2.776 -3.925 8.566 1.00 0.00 H new ATOM 0 HA ASP A 26 2.002 -5.226 10.369 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.529 -3.487 11.709 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.995 -2.738 12.104 1.00 0.00 H new ATOM 400 N GLN A 27 -0.081 -3.634 9.213 1.00 0.00 N ATOM 401 CA GLN A 27 -1.520 -3.330 9.018 1.00 0.00 C ATOM 402 C GLN A 27 -2.065 -4.266 7.934 1.00 0.00 C ATOM 403 O GLN A 27 -1.334 -4.679 7.058 1.00 0.00 O ATOM 404 CB GLN A 27 -1.560 -1.845 8.587 1.00 0.00 C ATOM 405 CG GLN A 27 -0.315 -1.463 7.768 1.00 0.00 C ATOM 406 CD GLN A 27 -0.142 0.053 7.795 1.00 0.00 C ATOM 407 OE1 GLN A 27 0.386 0.598 8.745 1.00 0.00 O ATOM 408 NE2 GLN A 27 -0.562 0.760 6.786 1.00 0.00 N ATOM 0 H GLN A 27 0.471 -3.663 8.356 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.132 -3.480 9.907 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.457 -1.661 7.996 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.625 -1.210 9.471 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.569 -1.949 8.180 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.420 -1.811 6.740 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.005 0.300 5.990 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.448 1.774 6.791 1.00 0.00 H new ATOM 417 N ARG A 28 -3.322 -4.636 7.979 1.00 0.00 N ATOM 418 CA ARG A 28 -3.826 -5.572 6.930 1.00 0.00 C ATOM 419 C ARG A 28 -4.744 -4.890 5.930 1.00 0.00 C ATOM 420 O ARG A 28 -4.690 -5.186 4.757 1.00 0.00 O ATOM 421 CB ARG A 28 -4.548 -6.682 7.690 1.00 0.00 C ATOM 422 CG ARG A 28 -3.508 -7.585 8.343 1.00 0.00 C ATOM 423 CD ARG A 28 -3.560 -8.965 7.689 1.00 0.00 C ATOM 424 NE ARG A 28 -2.230 -9.577 7.967 1.00 0.00 N ATOM 425 CZ ARG A 28 -1.673 -10.359 7.085 1.00 0.00 C ATOM 426 NH1 ARG A 28 -1.322 -9.887 5.919 1.00 0.00 N ATOM 427 NH2 ARG A 28 -1.458 -11.614 7.371 1.00 0.00 N ATOM 0 H ARG A 28 -4.004 -4.339 8.677 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.004 -5.959 6.328 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.206 -6.255 8.447 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.176 -7.259 7.010 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.513 -7.154 8.232 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.701 -7.669 9.412 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.366 -9.568 8.106 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.742 -8.887 6.617 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.755 -9.384 8.849 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.483 -8.905 5.697 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.886 -10.501 5.231 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.726 -11.982 8.284 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.022 -12.227 6.682 1.00 0.00 H new ATOM 441 N GLN A 29 -5.565 -3.977 6.356 1.00 0.00 N ATOM 442 CA GLN A 29 -6.438 -3.268 5.402 1.00 0.00 C ATOM 443 C GLN A 29 -7.427 -4.235 4.777 1.00 0.00 C ATOM 444 O GLN A 29 -7.661 -4.234 3.588 1.00 0.00 O ATOM 445 CB GLN A 29 -5.471 -2.679 4.388 1.00 0.00 C ATOM 446 CG GLN A 29 -4.667 -1.597 5.096 1.00 0.00 C ATOM 447 CD GLN A 29 -3.666 -2.221 6.051 1.00 0.00 C ATOM 448 OE1 GLN A 29 -3.977 -2.455 7.202 1.00 0.00 O ATOM 449 NE2 GLN A 29 -2.475 -2.489 5.618 1.00 0.00 N ATOM 0 H GLN A 29 -5.666 -3.693 7.331 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.051 -2.492 5.861 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.810 -3.452 3.995 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.013 -2.261 3.540 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.145 -0.984 4.362 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.338 -0.936 5.644 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.227 -2.287 4.649 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.785 -2.902 6.246 1.00 0.00 H new ATOM 458 N ALA A 30 -8.011 -5.059 5.591 1.00 0.00 N ATOM 459 CA ALA A 30 -8.999 -6.033 5.080 1.00 0.00 C ATOM 460 C ALA A 30 -10.146 -5.306 4.387 1.00 0.00 C ATOM 461 O ALA A 30 -11.026 -4.767 5.030 1.00 0.00 O ATOM 462 CB ALA A 30 -9.518 -6.742 6.317 1.00 0.00 C ATOM 0 H ALA A 30 -7.844 -5.099 6.596 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.562 -6.719 4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.260 -7.486 6.026 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.691 -7.235 6.828 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.977 -6.015 6.988 1.00 0.00 H new ATOM 468 N GLY A 31 -10.152 -5.284 3.092 1.00 0.00 N ATOM 469 CA GLY A 31 -11.255 -4.592 2.382 1.00 0.00 C ATOM 470 C GLY A 31 -10.808 -3.183 1.989 1.00 0.00 C ATOM 471 O GLY A 31 -11.570 -2.414 1.437 1.00 0.00 O ATOM 0 H GLY A 31 -9.445 -5.713 2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.539 -5.156 1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.136 -4.540 3.021 1.00 0.00 H new ATOM 475 N ALA A 32 -9.582 -2.837 2.275 1.00 0.00 N ATOM 476 CA ALA A 32 -9.092 -1.476 1.926 1.00 0.00 C ATOM 477 C ALA A 32 -8.531 -1.450 0.512 1.00 0.00 C ATOM 478 O ALA A 32 -8.339 -2.466 -0.121 1.00 0.00 O ATOM 479 CB ALA A 32 -7.958 -1.182 2.913 1.00 0.00 C ATOM 0 H ALA A 32 -8.900 -3.439 2.735 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.899 -0.745 1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.549 -0.192 2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.344 -1.216 3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.172 -1.929 2.798 1.00 0.00 H new ATOM 485 N ALA A 33 -8.233 -0.281 0.037 1.00 0.00 N ATOM 486 CA ALA A 33 -7.635 -0.140 -1.311 1.00 0.00 C ATOM 487 C ALA A 33 -6.559 0.936 -1.223 1.00 0.00 C ATOM 488 O ALA A 33 -6.520 1.695 -0.277 1.00 0.00 O ATOM 489 CB ALA A 33 -8.781 0.283 -2.231 1.00 0.00 C ATOM 0 H ALA A 33 -8.381 0.597 0.534 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.175 -1.053 -1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.406 0.405 -3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.557 -0.482 -2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.198 1.228 -1.882 1.00 0.00 H new ATOM 495 N LEU A 34 -5.669 1.015 -2.165 1.00 0.00 N ATOM 496 CA LEU A 34 -4.612 2.052 -2.051 1.00 0.00 C ATOM 497 C LEU A 34 -4.195 2.574 -3.432 1.00 0.00 C ATOM 498 O LEU A 34 -4.337 1.895 -4.434 1.00 0.00 O ATOM 499 CB LEU A 34 -3.454 1.324 -1.337 1.00 0.00 C ATOM 500 CG LEU A 34 -2.123 1.501 -2.095 1.00 0.00 C ATOM 501 CD1 LEU A 34 -0.952 1.046 -1.221 1.00 0.00 C ATOM 502 CD2 LEU A 34 -2.152 0.659 -3.373 1.00 0.00 C ATOM 0 H LEU A 34 -5.625 0.421 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.942 2.935 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.351 1.710 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.687 0.263 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.995 2.554 -2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.018 1.176 -1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.925 1.643 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.078 -0.005 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.212 0.782 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.287 -0.391 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.978 0.986 -4.005 1.00 0.00 H new ATOM 514 N ALA A 35 -3.657 3.764 -3.492 1.00 0.00 N ATOM 515 CA ALA A 35 -3.206 4.298 -4.807 1.00 0.00 C ATOM 516 C ALA A 35 -1.742 4.713 -4.685 1.00 0.00 C ATOM 517 O ALA A 35 -1.399 5.604 -3.937 1.00 0.00 O ATOM 518 CB ALA A 35 -4.102 5.498 -5.099 1.00 0.00 C ATOM 0 H ALA A 35 -3.512 4.383 -2.694 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.278 3.567 -5.613 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.821 5.938 -6.056 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.142 5.174 -5.140 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.984 6.241 -4.310 1.00 0.00 H new ATOM 524 N ILE A 36 -0.871 4.056 -5.390 1.00 0.00 N ATOM 525 CA ILE A 36 0.574 4.410 -5.268 1.00 0.00 C ATOM 526 C ILE A 36 1.041 5.222 -6.474 1.00 0.00 C ATOM 527 O ILE A 36 0.794 4.879 -7.612 1.00 0.00 O ATOM 528 CB ILE A 36 1.312 3.076 -5.182 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.759 2.302 -3.988 1.00 0.00 C ATOM 530 CG2 ILE A 36 2.817 3.324 -4.980 1.00 0.00 C ATOM 531 CD1 ILE A 36 1.313 0.880 -3.996 1.00 0.00 C ATOM 0 H ILE A 36 -1.087 3.299 -6.038 1.00 0.00 H new ATOM 0 HA ILE A 36 0.766 5.031 -4.393 1.00 0.00 H new ATOM 0 HB ILE A 36 1.170 2.509 -6.102 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.031 2.804 -3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.330 2.279 -4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.338 2.369 -4.919 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.207 3.898 -5.821 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.973 3.882 -4.057 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.916 0.330 -3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.018 0.380 -4.919 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.401 0.913 -3.933 1.00 0.00 H new ATOM 543 N ASN A 37 1.719 6.302 -6.222 1.00 0.00 N ATOM 544 CA ASN A 37 2.214 7.154 -7.336 1.00 0.00 C ATOM 545 C ASN A 37 1.072 7.489 -8.299 1.00 0.00 C ATOM 546 O ASN A 37 1.289 7.696 -9.475 1.00 0.00 O ATOM 547 CB ASN A 37 3.299 6.327 -8.023 1.00 0.00 C ATOM 548 CG ASN A 37 4.556 6.364 -7.155 1.00 0.00 C ATOM 549 OD1 ASN A 37 4.981 7.420 -6.730 1.00 0.00 O ATOM 550 ND2 ASN A 37 5.166 5.252 -6.864 1.00 0.00 N ATOM 0 H ASN A 37 1.954 6.634 -5.287 1.00 0.00 H new ATOM 0 HA ASN A 37 2.607 8.108 -6.985 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.963 5.299 -8.160 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.511 6.728 -9.014 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.001 5.267 -6.279 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.809 4.366 -7.221 1.00 0.00 H new ATOM 557 N GLN A 38 -0.133 7.563 -7.783 1.00 0.00 N ATOM 558 CA GLN A 38 -1.340 7.906 -8.608 1.00 0.00 C ATOM 559 C GLN A 38 -1.893 6.665 -9.328 1.00 0.00 C ATOM 560 O GLN A 38 -2.695 6.772 -10.234 1.00 0.00 O ATOM 561 CB GLN A 38 -0.889 9.001 -9.599 1.00 0.00 C ATOM 562 CG GLN A 38 -0.574 8.409 -10.979 1.00 0.00 C ATOM 563 CD GLN A 38 -1.812 8.542 -11.873 1.00 0.00 C ATOM 564 OE1 GLN A 38 -2.887 8.842 -11.393 1.00 0.00 O ATOM 565 NE2 GLN A 38 -1.708 8.333 -13.156 1.00 0.00 N ATOM 0 H GLN A 38 -0.336 7.395 -6.798 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.158 8.269 -7.985 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.672 9.753 -9.694 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.006 9.507 -9.208 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.272 8.929 -11.428 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.289 7.361 -10.883 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.806 8.081 -13.560 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.529 8.421 -13.755 1.00 0.00 H new ATOM 574 N GLN A 39 -1.498 5.489 -8.921 1.00 0.00 N ATOM 575 CA GLN A 39 -2.042 4.268 -9.582 1.00 0.00 C ATOM 576 C GLN A 39 -2.931 3.504 -8.595 1.00 0.00 C ATOM 577 O GLN A 39 -2.461 2.814 -7.713 1.00 0.00 O ATOM 578 CB GLN A 39 -0.816 3.443 -10.003 1.00 0.00 C ATOM 579 CG GLN A 39 -0.198 2.732 -8.795 1.00 0.00 C ATOM 580 CD GLN A 39 1.323 2.692 -8.944 1.00 0.00 C ATOM 581 OE1 GLN A 39 1.931 3.659 -9.359 1.00 0.00 O ATOM 582 NE2 GLN A 39 1.967 1.603 -8.625 1.00 0.00 N ATOM 0 H GLN A 39 -0.830 5.321 -8.168 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.662 4.499 -10.448 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.107 2.708 -10.754 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.075 4.095 -10.465 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -0.470 3.252 -7.876 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.592 1.719 -8.716 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.456 0.792 -8.277 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.981 1.563 -8.724 1.00 0.00 H new ATOM 591 N ILE A 40 -4.221 3.625 -8.718 1.00 0.00 N ATOM 592 CA ILE A 40 -5.100 2.903 -7.760 1.00 0.00 C ATOM 593 C ILE A 40 -5.107 1.420 -8.108 1.00 0.00 C ATOM 594 O ILE A 40 -5.715 0.999 -9.074 1.00 0.00 O ATOM 595 CB ILE A 40 -6.500 3.501 -7.950 1.00 0.00 C ATOM 596 CG1 ILE A 40 -6.614 4.807 -7.160 1.00 0.00 C ATOM 597 CG2 ILE A 40 -7.559 2.506 -7.452 1.00 0.00 C ATOM 598 CD1 ILE A 40 -6.009 5.953 -7.971 1.00 0.00 C ATOM 0 H ILE A 40 -4.699 4.182 -9.427 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.762 3.005 -6.729 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.663 3.703 -9.009 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.660 5.019 -6.937 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.097 4.712 -6.205 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.552 2.933 -7.588 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.482 1.579 -8.019 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.395 2.299 -6.394 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.092 6.882 -7.406 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.958 5.742 -8.171 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.545 6.053 -8.915 1.00 0.00 H new ATOM 610 N VAL A 41 -4.436 0.629 -7.332 1.00 0.00 N ATOM 611 CA VAL A 41 -4.404 -0.823 -7.627 1.00 0.00 C ATOM 612 C VAL A 41 -5.410 -1.555 -6.792 1.00 0.00 C ATOM 613 O VAL A 41 -5.642 -1.221 -5.649 1.00 0.00 O ATOM 614 CB VAL A 41 -3.038 -1.303 -7.213 1.00 0.00 C ATOM 615 CG1 VAL A 41 -2.923 -2.799 -7.520 1.00 0.00 C ATOM 616 CG2 VAL A 41 -1.987 -0.518 -7.983 1.00 0.00 C ATOM 0 H VAL A 41 -3.910 0.922 -6.509 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.623 -0.999 -8.680 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.885 -1.148 -6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.937 -3.156 -7.224 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.688 -3.344 -6.967 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.062 -2.963 -8.589 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.993 -0.857 -7.691 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.125 -0.677 -9.052 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.089 0.544 -7.758 1.00 0.00 H new ATOM 626 N PRO A 42 -5.951 -2.561 -7.377 1.00 0.00 N ATOM 627 CA PRO A 42 -6.908 -3.374 -6.654 1.00 0.00 C ATOM 628 C PRO A 42 -6.199 -4.324 -5.707 1.00 0.00 C ATOM 629 O PRO A 42 -5.365 -5.118 -6.087 1.00 0.00 O ATOM 630 CB PRO A 42 -7.631 -4.126 -7.723 1.00 0.00 C ATOM 631 CG PRO A 42 -6.706 -4.169 -8.899 1.00 0.00 C ATOM 632 CD PRO A 42 -5.732 -3.030 -8.748 1.00 0.00 C ATOM 0 HA PRO A 42 -7.581 -2.779 -6.036 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.883 -5.132 -7.389 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.567 -3.632 -7.982 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.179 -5.122 -8.938 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.265 -4.075 -9.830 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.704 -3.360 -8.898 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.923 -2.241 -9.476 1.00 0.00 H new ATOM 640 N ARG A 43 -6.552 -4.216 -4.481 1.00 0.00 N ATOM 641 CA ARG A 43 -5.961 -5.069 -3.393 1.00 0.00 C ATOM 642 C ARG A 43 -5.447 -6.413 -3.898 1.00 0.00 C ATOM 643 O ARG A 43 -4.413 -6.900 -3.484 1.00 0.00 O ATOM 644 CB ARG A 43 -7.120 -5.331 -2.433 1.00 0.00 C ATOM 645 CG ARG A 43 -8.422 -5.575 -3.202 1.00 0.00 C ATOM 646 CD ARG A 43 -9.573 -5.695 -2.199 1.00 0.00 C ATOM 647 NE ARG A 43 -10.728 -5.007 -2.840 1.00 0.00 N ATOM 648 CZ ARG A 43 -11.933 -5.480 -2.685 1.00 0.00 C ATOM 649 NH1 ARG A 43 -12.623 -5.173 -1.618 1.00 0.00 N ATOM 650 NH2 ARG A 43 -12.449 -6.262 -3.593 1.00 0.00 N ATOM 0 H ARG A 43 -7.253 -3.551 -4.153 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.107 -4.560 -2.946 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.893 -6.196 -1.810 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.242 -4.480 -1.763 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.610 -4.755 -3.896 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.344 -6.485 -3.797 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.804 -6.739 -1.989 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.316 -5.228 -1.248 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.577 -4.167 -3.399 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.219 -4.564 -0.907 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.566 -5.543 -1.496 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.910 -6.503 -4.424 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.392 -6.632 -3.471 1.00 0.00 H new ATOM 664 N GLU A 44 -6.190 -7.024 -4.750 1.00 0.00 N ATOM 665 CA GLU A 44 -5.820 -8.360 -5.276 1.00 0.00 C ATOM 666 C GLU A 44 -4.374 -8.410 -5.790 1.00 0.00 C ATOM 667 O GLU A 44 -3.810 -9.472 -5.946 1.00 0.00 O ATOM 668 CB GLU A 44 -6.831 -8.556 -6.388 1.00 0.00 C ATOM 669 CG GLU A 44 -6.307 -9.567 -7.419 1.00 0.00 C ATOM 670 CD GLU A 44 -7.448 -10.480 -7.873 1.00 0.00 C ATOM 671 OE1 GLU A 44 -8.276 -10.021 -8.641 1.00 0.00 O ATOM 672 OE2 GLU A 44 -7.472 -11.620 -7.444 1.00 0.00 O ATOM 0 H GLU A 44 -7.064 -6.650 -5.119 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.847 -9.144 -4.519 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.775 -8.908 -5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.034 -7.602 -6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.886 -9.042 -8.276 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.504 -10.162 -6.984 1.00 0.00 H new ATOM 679 N GLN A 45 -3.769 -7.286 -6.055 1.00 0.00 N ATOM 680 CA GLN A 45 -2.361 -7.314 -6.554 1.00 0.00 C ATOM 681 C GLN A 45 -1.396 -6.979 -5.423 1.00 0.00 C ATOM 682 O GLN A 45 -0.211 -7.218 -5.516 1.00 0.00 O ATOM 683 CB GLN A 45 -2.297 -6.256 -7.658 1.00 0.00 C ATOM 684 CG GLN A 45 -3.444 -6.477 -8.647 1.00 0.00 C ATOM 685 CD GLN A 45 -2.976 -7.381 -9.788 1.00 0.00 C ATOM 686 OE1 GLN A 45 -2.081 -8.185 -9.616 1.00 0.00 O ATOM 687 NE2 GLN A 45 -3.551 -7.284 -10.955 1.00 0.00 N ATOM 0 H GLN A 45 -4.180 -6.358 -5.950 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.078 -8.298 -6.929 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.365 -5.258 -7.224 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.340 -6.314 -8.176 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.294 -6.930 -8.137 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.783 -5.520 -9.044 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.302 -6.609 -11.099 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.249 -7.883 -11.723 1.00 0.00 H new ATOM 696 N TRP A 46 -1.892 -6.429 -4.357 1.00 0.00 N ATOM 697 CA TRP A 46 -1.020 -6.087 -3.218 1.00 0.00 C ATOM 698 C TRP A 46 -0.035 -7.212 -2.933 1.00 0.00 C ATOM 699 O TRP A 46 1.077 -6.991 -2.495 1.00 0.00 O ATOM 700 CB TRP A 46 -1.982 -5.943 -2.044 1.00 0.00 C ATOM 701 CG TRP A 46 -2.745 -4.668 -2.157 1.00 0.00 C ATOM 702 CD1 TRP A 46 -2.780 -3.863 -3.245 1.00 0.00 C ATOM 703 CD2 TRP A 46 -3.593 -4.043 -1.157 1.00 0.00 C ATOM 704 NE1 TRP A 46 -3.590 -2.774 -2.964 1.00 0.00 N ATOM 705 CE2 TRP A 46 -4.110 -2.839 -1.683 1.00 0.00 C ATOM 706 CE3 TRP A 46 -3.945 -4.403 0.152 1.00 0.00 C ATOM 707 CZ2 TRP A 46 -4.961 -2.020 -0.934 1.00 0.00 C ATOM 708 CZ3 TRP A 46 -4.800 -3.587 0.907 1.00 0.00 C ATOM 709 CH2 TRP A 46 -5.303 -2.394 0.367 1.00 0.00 C ATOM 0 H TRP A 46 -2.878 -6.201 -4.229 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.431 -5.190 -3.407 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.671 -6.787 -2.024 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.428 -5.962 -1.106 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.263 -4.040 -4.177 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -3.780 -2.017 -3.621 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.555 -5.314 0.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.350 -1.106 -1.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.073 -3.879 1.910 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.954 -1.766 0.957 1.00 0.00 H new ATOM 720 N ALA A 47 -0.445 -8.417 -3.162 1.00 0.00 N ATOM 721 CA ALA A 47 0.444 -9.572 -2.895 1.00 0.00 C ATOM 722 C ALA A 47 1.452 -9.743 -4.030 1.00 0.00 C ATOM 723 O ALA A 47 2.431 -10.450 -3.901 1.00 0.00 O ATOM 724 CB ALA A 47 -0.507 -10.748 -2.856 1.00 0.00 C ATOM 0 H ALA A 47 -1.367 -8.657 -3.526 1.00 0.00 H new ATOM 0 HA ALA A 47 1.024 -9.460 -1.979 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.053 -11.663 -2.663 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.240 -10.597 -2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.020 -10.833 -3.814 1.00 0.00 H new ATOM 730 N GLN A 48 1.226 -9.089 -5.134 1.00 0.00 N ATOM 731 CA GLN A 48 2.173 -9.202 -6.271 1.00 0.00 C ATOM 732 C GLN A 48 2.559 -7.795 -6.732 1.00 0.00 C ATOM 733 O GLN A 48 3.187 -7.612 -7.757 1.00 0.00 O ATOM 734 CB GLN A 48 1.401 -9.938 -7.370 1.00 0.00 C ATOM 735 CG GLN A 48 0.722 -11.178 -6.783 1.00 0.00 C ATOM 736 CD GLN A 48 1.175 -12.429 -7.545 1.00 0.00 C ATOM 737 OE1 GLN A 48 2.134 -12.387 -8.289 1.00 0.00 O ATOM 738 NE2 GLN A 48 0.522 -13.549 -7.385 1.00 0.00 N ATOM 0 H GLN A 48 0.424 -8.480 -5.296 1.00 0.00 H new ATOM 0 HA GLN A 48 3.089 -9.732 -6.011 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.654 -9.276 -7.809 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.080 -10.229 -8.172 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.972 -11.275 -5.726 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.361 -11.075 -6.846 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.283 -13.585 -6.760 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.818 -14.388 -7.885 1.00 0.00 H new ATOM 747 N HIS A 49 2.167 -6.799 -5.979 1.00 0.00 N ATOM 748 CA HIS A 49 2.478 -5.391 -6.354 1.00 0.00 C ATOM 749 C HIS A 49 3.766 -4.934 -5.669 1.00 0.00 C ATOM 750 O HIS A 49 3.739 -4.164 -4.734 1.00 0.00 O ATOM 751 CB HIS A 49 1.285 -4.600 -5.828 1.00 0.00 C ATOM 752 CG HIS A 49 1.409 -3.159 -6.250 1.00 0.00 C ATOM 753 ND1 HIS A 49 0.335 -2.286 -6.209 1.00 0.00 N ATOM 754 CD2 HIS A 49 2.469 -2.426 -6.729 1.00 0.00 C ATOM 755 CE1 HIS A 49 0.766 -1.091 -6.651 1.00 0.00 C ATOM 756 NE2 HIS A 49 2.061 -1.121 -6.982 1.00 0.00 N ATOM 0 H HIS A 49 1.640 -6.905 -5.112 1.00 0.00 H new ATOM 0 HA HIS A 49 2.630 -5.260 -7.425 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.357 -5.023 -6.212 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.241 -4.669 -4.741 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -0.611 -2.509 -5.900 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.468 -2.806 -6.885 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.141 -0.213 -6.729 1.00 0.00 H new ATOM 764 N ILE A 50 4.894 -5.403 -6.135 1.00 0.00 N ATOM 765 CA ILE A 50 6.188 -5.021 -5.509 1.00 0.00 C ATOM 766 C ILE A 50 6.311 -3.503 -5.400 1.00 0.00 C ATOM 767 O ILE A 50 6.090 -2.763 -6.338 1.00 0.00 O ATOM 768 CB ILE A 50 7.254 -5.595 -6.434 1.00 0.00 C ATOM 769 CG1 ILE A 50 7.155 -7.123 -6.403 1.00 0.00 C ATOM 770 CG2 ILE A 50 8.644 -5.152 -5.963 1.00 0.00 C ATOM 771 CD1 ILE A 50 7.753 -7.656 -5.096 1.00 0.00 C ATOM 0 H ILE A 50 4.972 -6.039 -6.929 1.00 0.00 H new ATOM 0 HA ILE A 50 6.283 -5.404 -4.493 1.00 0.00 H new ATOM 0 HB ILE A 50 7.099 -5.234 -7.451 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.113 -7.431 -6.489 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.684 -7.548 -7.256 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.402 -5.565 -6.628 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.703 -4.064 -5.977 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.816 -5.512 -4.949 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.680 -8.743 -5.079 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.800 -7.362 -5.028 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.205 -7.242 -4.250 1.00 0.00 H new ATOM 783 N VAL A 51 6.632 -3.058 -4.222 1.00 0.00 N ATOM 784 CA VAL A 51 6.755 -1.600 -3.927 1.00 0.00 C ATOM 785 C VAL A 51 8.229 -1.166 -3.974 1.00 0.00 C ATOM 786 O VAL A 51 9.119 -1.929 -3.652 1.00 0.00 O ATOM 787 CB VAL A 51 6.200 -1.498 -2.509 1.00 0.00 C ATOM 788 CG1 VAL A 51 5.962 -0.041 -2.157 1.00 0.00 C ATOM 789 CG2 VAL A 51 4.870 -2.263 -2.410 1.00 0.00 C ATOM 0 H VAL A 51 6.821 -3.662 -3.422 1.00 0.00 H new ATOM 0 HA VAL A 51 6.233 -0.962 -4.640 1.00 0.00 H new ATOM 0 HB VAL A 51 6.921 -1.931 -1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.566 0.029 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.903 0.506 -2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.246 0.390 -2.857 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.480 -2.185 -1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.151 -1.835 -3.108 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.034 -3.312 -2.656 1.00 0.00 H new ATOM 799 N GLN A 52 8.496 0.045 -4.392 1.00 0.00 N ATOM 800 CA GLN A 52 9.918 0.506 -4.477 1.00 0.00 C ATOM 801 C GLN A 52 10.270 1.538 -3.407 1.00 0.00 C ATOM 802 O GLN A 52 9.447 2.325 -2.983 1.00 0.00 O ATOM 803 CB GLN A 52 10.034 1.201 -5.824 1.00 0.00 C ATOM 804 CG GLN A 52 9.792 0.208 -6.968 1.00 0.00 C ATOM 805 CD GLN A 52 11.091 0.000 -7.752 1.00 0.00 C ATOM 806 OE1 GLN A 52 11.430 0.791 -8.610 1.00 0.00 O ATOM 807 NE2 GLN A 52 11.839 -1.039 -7.494 1.00 0.00 N ATOM 0 H GLN A 52 7.797 0.732 -4.677 1.00 0.00 H new ATOM 0 HA GLN A 52 10.583 -0.347 -4.344 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.311 2.015 -5.883 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.024 1.646 -5.925 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.440 -0.743 -6.569 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.012 0.584 -7.630 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.557 -1.704 -6.774 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.705 -1.185 -8.012 1.00 0.00 H new ATOM 816 N ASP A 53 11.516 1.570 -3.017 1.00 0.00 N ATOM 817 CA ASP A 53 11.965 2.584 -2.029 1.00 0.00 C ATOM 818 C ASP A 53 11.564 3.963 -2.537 1.00 0.00 C ATOM 819 O ASP A 53 11.987 4.418 -3.580 1.00 0.00 O ATOM 820 CB ASP A 53 13.474 2.435 -1.978 1.00 0.00 C ATOM 821 CG ASP A 53 14.129 3.750 -1.541 1.00 0.00 C ATOM 822 OD1 ASP A 53 13.514 4.470 -0.771 1.00 0.00 O ATOM 823 OD2 ASP A 53 15.235 4.016 -1.985 1.00 0.00 O ATOM 0 H ASP A 53 12.243 0.933 -3.344 1.00 0.00 H new ATOM 0 HA ASP A 53 11.525 2.457 -1.040 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.743 1.639 -1.283 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.850 2.143 -2.959 1.00 0.00 H new ATOM 828 N GLY A 54 10.701 4.583 -1.821 1.00 0.00 N ATOM 829 CA GLY A 54 10.162 5.907 -2.220 1.00 0.00 C ATOM 830 C GLY A 54 8.692 5.676 -2.546 1.00 0.00 C ATOM 831 O GLY A 54 8.001 6.531 -3.063 1.00 0.00 O ATOM 0 H GLY A 54 10.327 4.224 -0.943 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.274 6.634 -1.415 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.697 6.303 -3.084 1.00 0.00 H new ATOM 835 N ASP A 55 8.227 4.486 -2.252 1.00 0.00 N ATOM 836 CA ASP A 55 6.819 4.120 -2.543 1.00 0.00 C ATOM 837 C ASP A 55 5.827 5.139 -1.985 1.00 0.00 C ATOM 838 O ASP A 55 5.819 5.442 -0.816 1.00 0.00 O ATOM 839 CB ASP A 55 6.621 2.772 -1.847 1.00 0.00 C ATOM 840 CG ASP A 55 5.123 2.515 -1.622 1.00 0.00 C ATOM 841 OD1 ASP A 55 4.436 2.244 -2.591 1.00 0.00 O ATOM 842 OD2 ASP A 55 4.695 2.597 -0.481 1.00 0.00 O ATOM 0 H ASP A 55 8.778 3.746 -1.816 1.00 0.00 H new ATOM 0 HA ASP A 55 6.639 4.085 -3.617 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.049 1.974 -2.453 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.148 2.765 -0.893 1.00 0.00 H new ATOM 847 N GLN A 56 4.949 5.613 -2.811 1.00 0.00 N ATOM 848 CA GLN A 56 3.904 6.554 -2.337 1.00 0.00 C ATOM 849 C GLN A 56 2.581 5.797 -2.298 1.00 0.00 C ATOM 850 O GLN A 56 2.347 4.926 -3.101 1.00 0.00 O ATOM 851 CB GLN A 56 3.868 7.665 -3.378 1.00 0.00 C ATOM 852 CG GLN A 56 2.571 8.442 -3.219 1.00 0.00 C ATOM 853 CD GLN A 56 2.885 9.936 -3.099 1.00 0.00 C ATOM 854 OE1 GLN A 56 2.244 10.759 -3.724 1.00 0.00 O ATOM 855 NE2 GLN A 56 3.857 10.323 -2.316 1.00 0.00 N ATOM 0 H GLN A 56 4.908 5.388 -3.805 1.00 0.00 H new ATOM 0 HA GLN A 56 4.094 6.961 -1.344 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.724 8.329 -3.252 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.936 7.245 -4.381 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.920 8.264 -4.075 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.035 8.099 -2.334 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.395 9.633 -1.792 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.078 11.315 -2.229 1.00 0.00 H new ATOM 864 N ILE A 57 1.728 6.074 -1.364 1.00 0.00 N ATOM 865 CA ILE A 57 0.465 5.300 -1.317 1.00 0.00 C ATOM 866 C ILE A 57 -0.749 6.169 -0.988 1.00 0.00 C ATOM 867 O ILE A 57 -0.676 7.093 -0.205 1.00 0.00 O ATOM 868 CB ILE A 57 0.687 4.318 -0.182 1.00 0.00 C ATOM 869 CG1 ILE A 57 1.790 3.322 -0.539 1.00 0.00 C ATOM 870 CG2 ILE A 57 -0.608 3.564 0.095 1.00 0.00 C ATOM 871 CD1 ILE A 57 2.109 2.483 0.692 1.00 0.00 C ATOM 0 H ILE A 57 1.844 6.787 -0.644 1.00 0.00 H new ATOM 0 HA ILE A 57 0.253 4.840 -2.282 1.00 0.00 H new ATOM 0 HB ILE A 57 0.992 4.872 0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.469 2.681 -1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.681 3.851 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.451 2.858 0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.389 4.272 0.374 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.912 3.022 -0.801 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.895 1.768 0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.446 3.134 1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.215 1.946 1.008 1.00 0.00 H new ATOM 883 N LEU A 58 -1.882 5.821 -1.534 1.00 0.00 N ATOM 884 CA LEU A 58 -3.133 6.550 -1.207 1.00 0.00 C ATOM 885 C LEU A 58 -3.988 5.561 -0.426 1.00 0.00 C ATOM 886 O LEU A 58 -4.017 4.399 -0.752 1.00 0.00 O ATOM 887 CB LEU A 58 -3.771 6.936 -2.543 1.00 0.00 C ATOM 888 CG LEU A 58 -4.598 8.220 -2.370 1.00 0.00 C ATOM 889 CD1 LEU A 58 -5.628 8.039 -1.251 1.00 0.00 C ATOM 890 CD2 LEU A 58 -3.666 9.383 -2.014 1.00 0.00 C ATOM 0 H LEU A 58 -1.992 5.055 -2.199 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.995 7.455 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.998 7.089 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.408 6.127 -2.900 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.118 8.434 -3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.207 8.955 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.297 7.215 -1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.114 7.817 -0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.252 10.294 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.144 9.159 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.939 9.524 -2.813 1.00 0.00 H new ATOM 902 N LEU A 59 -4.618 5.957 0.638 1.00 0.00 N ATOM 903 CA LEU A 59 -5.379 4.946 1.430 1.00 0.00 C ATOM 904 C LEU A 59 -6.890 5.008 1.171 1.00 0.00 C ATOM 905 O LEU A 59 -7.511 6.051 1.244 1.00 0.00 O ATOM 906 CB LEU A 59 -5.055 5.294 2.888 1.00 0.00 C ATOM 907 CG LEU A 59 -5.477 4.161 3.829 1.00 0.00 C ATOM 908 CD1 LEU A 59 -6.970 4.271 4.128 1.00 0.00 C ATOM 909 CD2 LEU A 59 -5.183 2.803 3.188 1.00 0.00 C ATOM 0 H LEU A 59 -4.643 6.913 0.992 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.095 3.929 1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.986 5.479 2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.567 6.214 3.168 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.911 4.245 4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.267 3.464 4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.176 5.230 4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.534 4.197 3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.488 2.007 3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.737 2.714 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.115 2.719 2.986 1.00 0.00 H new ATOM 921 N PHE A 60 -7.476 3.872 0.886 1.00 0.00 N ATOM 922 CA PHE A 60 -8.945 3.805 0.634 1.00 0.00 C ATOM 923 C PHE A 60 -9.620 3.004 1.758 1.00 0.00 C ATOM 924 O PHE A 60 -9.077 2.031 2.244 1.00 0.00 O ATOM 925 CB PHE A 60 -9.072 3.087 -0.709 1.00 0.00 C ATOM 926 CG PHE A 60 -8.516 3.981 -1.795 1.00 0.00 C ATOM 927 CD1 PHE A 60 -8.849 5.340 -1.809 1.00 0.00 C ATOM 928 CD2 PHE A 60 -7.673 3.457 -2.787 1.00 0.00 C ATOM 929 CE1 PHE A 60 -8.338 6.178 -2.807 1.00 0.00 C ATOM 930 CE2 PHE A 60 -7.163 4.297 -3.786 1.00 0.00 C ATOM 931 CZ PHE A 60 -7.499 5.656 -3.797 1.00 0.00 C ATOM 0 H PHE A 60 -6.991 2.977 0.817 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.423 4.784 0.612 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -8.530 2.142 -0.684 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.116 2.850 -0.913 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.501 5.743 -1.049 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.418 2.408 -2.781 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.592 7.228 -2.813 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -6.511 3.896 -4.548 1.00 0.00 H new ATOM 0 HZ PHE A 60 -7.110 6.302 -4.570 1.00 0.00 H new ATOM 941 N GLN A 61 -10.787 3.415 2.191 1.00 0.00 N ATOM 942 CA GLN A 61 -11.472 2.685 3.305 1.00 0.00 C ATOM 943 C GLN A 61 -12.421 1.608 2.770 1.00 0.00 C ATOM 944 O GLN A 61 -12.878 1.662 1.645 1.00 0.00 O ATOM 945 CB GLN A 61 -12.256 3.767 4.048 1.00 0.00 C ATOM 946 CG GLN A 61 -11.298 4.887 4.462 1.00 0.00 C ATOM 947 CD GLN A 61 -11.883 5.668 5.642 1.00 0.00 C ATOM 948 OE1 GLN A 61 -12.857 6.378 5.495 1.00 0.00 O ATOM 949 NE2 GLN A 61 -11.319 5.569 6.816 1.00 0.00 N ATOM 0 H GLN A 61 -11.293 4.221 1.824 1.00 0.00 H new ATOM 0 HA GLN A 61 -10.760 2.166 3.946 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.045 4.164 3.410 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.741 3.343 4.927 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -10.331 4.466 4.738 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -11.125 5.558 3.621 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.501 4.973 6.940 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -11.697 6.088 7.609 1.00 0.00 H new ATOM 958 N VAL A 62 -12.715 0.626 3.585 1.00 0.00 N ATOM 959 CA VAL A 62 -13.631 -0.479 3.163 1.00 0.00 C ATOM 960 C VAL A 62 -14.767 0.058 2.295 1.00 0.00 C ATOM 961 O VAL A 62 -15.276 1.139 2.516 1.00 0.00 O ATOM 962 CB VAL A 62 -14.189 -1.040 4.467 1.00 0.00 C ATOM 963 CG1 VAL A 62 -15.164 -0.028 5.067 1.00 0.00 C ATOM 964 CG2 VAL A 62 -14.928 -2.351 4.187 1.00 0.00 C ATOM 0 H VAL A 62 -12.355 0.542 4.536 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.112 -1.232 2.570 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.373 -1.228 5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -15.568 -0.421 6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.641 0.908 5.264 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -15.979 0.152 4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -15.326 -2.751 5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -15.747 -2.166 3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -14.237 -3.072 3.749 1.00 0.00 H new ATOM 974 N ILE A 63 -15.184 -0.694 1.320 1.00 0.00 N ATOM 975 CA ILE A 63 -16.300 -0.231 0.461 1.00 0.00 C ATOM 976 C ILE A 63 -17.435 -1.249 0.529 1.00 0.00 C ATOM 977 O ILE A 63 -17.434 -2.237 -0.176 1.00 0.00 O ATOM 978 CB ILE A 63 -15.702 -0.156 -0.940 1.00 0.00 C ATOM 979 CG1 ILE A 63 -14.358 0.583 -0.869 1.00 0.00 C ATOM 980 CG2 ILE A 63 -16.655 0.600 -1.868 1.00 0.00 C ATOM 981 CD1 ILE A 63 -13.232 -0.419 -0.575 1.00 0.00 C ATOM 0 H ILE A 63 -14.800 -1.608 1.082 1.00 0.00 H new ATOM 0 HA ILE A 63 -16.715 0.730 0.765 1.00 0.00 H new ATOM 0 HB ILE A 63 -15.550 -1.163 -1.329 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -14.164 1.097 -1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.392 1.346 -0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -16.224 0.652 -2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -17.611 0.078 -1.911 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -16.809 1.609 -1.487 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.279 0.108 -0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.424 -0.913 0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.193 -1.165 -1.369 1.00 0.00 H new ATOM 993 N ALA A 64 -18.394 -1.029 1.378 1.00 0.00 N ATOM 994 CA ALA A 64 -19.511 -2.003 1.494 1.00 0.00 C ATOM 995 C ALA A 64 -20.856 -1.307 1.279 1.00 0.00 C ATOM 996 O ALA A 64 -21.276 -0.485 2.071 1.00 0.00 O ATOM 997 CB ALA A 64 -19.390 -2.561 2.910 1.00 0.00 C ATOM 0 H ALA A 64 -18.454 -0.220 1.996 1.00 0.00 H new ATOM 0 HA ALA A 64 -19.459 -2.792 0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.180 -3.292 3.082 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.419 -3.042 3.030 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.484 -1.749 3.631 1.00 0.00 H new ATOM 1003 N GLY A 65 -21.537 -1.629 0.214 1.00 0.00 N ATOM 1004 CA GLY A 65 -22.853 -0.985 -0.052 1.00 0.00 C ATOM 1005 C GLY A 65 -22.663 0.530 -0.117 1.00 0.00 C ATOM 1006 O GLY A 65 -22.266 1.070 -1.129 1.00 0.00 O ATOM 0 H GLY A 65 -21.238 -2.311 -0.484 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -23.269 -1.353 -0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -23.563 -1.242 0.734 1.00 0.00 H new ATOM 1010 N GLY A 66 -22.934 1.220 0.959 1.00 0.00 N ATOM 1011 CA GLY A 66 -22.758 2.699 0.956 1.00 0.00 C ATOM 1012 C GLY A 66 -21.302 3.032 1.279 1.00 0.00 C ATOM 1013 O GLY A 66 -20.839 4.071 0.837 1.00 0.00 O ATOM 1014 OXT GLY A 66 -20.675 2.242 1.966 1.00 0.00 O ATOM 0 H GLY A 66 -23.269 0.823 1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -23.030 3.108 -0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -23.420 3.158 1.690 1.00 0.00 H new TER 1018 GLY A 66