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 -36:sc= -9.66! USER MOD Set 1.2: A 16 GLN : amide:sc= -14! C(o=-24!,f=-27!) USER MOD Single : A 1 MET CE :methyl -147:sc= -8.99! (180deg=-14!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 6 ASN :FLIP amide:sc= -0.142 F(o=-0.74,f=-0.14) USER MOD Single : A 8 GLN : amide:sc= -0.498 X(o=-0.5,f=-0.17) USER MOD Single : A 10 MET CE :methyl 139:sc= -9.37! (180deg=-16.2!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 17 THR OG1 : rot 123:sc= 0.94 USER MOD Single : A 19 HIS : no HD1:sc= -2.08 K(o=-2.1,f=-2.9!) USER MOD Single : A 24 GLN : amide:sc= -0.141 K(o=-0.14,f=-2.4!) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.0184 F(o=-1.5,f=-0.018) USER MOD Single : A 29 GLN : amide:sc= -9.96! C(o=-10!,f=-17!) USER MOD Single : A 37 ASN : amide:sc= -5.06! C(o=-5.1!,f=-6.5!) USER MOD Single : A 38 GLN : amide:sc= -1.14 K(o=-1.1,f=-3.9!) USER MOD Single : A 39 GLN : amide:sc= -2.51! C(o=-2.5!,f=-5.2!) USER MOD Single : A 45 GLN : amide:sc= -0.296 K(o=-0.3,f=-2.9!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -3.79! C(o=-4.3!,f=-3.8!) USER MOD Single : A 52 GLN : amide:sc= -0.211 K(o=-0.21,f=-1.1!) USER MOD Single : A 56 GLN : amide:sc= -0.269 K(o=-0.27,f=-2.6!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.672 3.362 -2.567 1.00 0.00 N ATOM 2 CA MET A 1 -13.314 3.211 -1.971 1.00 0.00 C ATOM 3 C MET A 1 -12.330 4.152 -2.636 1.00 0.00 C ATOM 4 O MET A 1 -12.321 4.325 -3.840 1.00 0.00 O ATOM 5 CB MET A 1 -12.885 1.784 -2.260 1.00 0.00 C ATOM 6 CG MET A 1 -12.068 1.230 -1.094 1.00 0.00 C ATOM 7 SD MET A 1 -10.391 1.905 -1.115 1.00 0.00 S ATOM 8 CE MET A 1 -9.707 0.818 0.172 1.00 0.00 C ATOM 0 H1 MET A 1 -15.332 2.709 -2.098 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.002 4.340 -2.437 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.632 3.143 -3.583 1.00 0.00 H new ATOM 0 HA MET A 1 -13.336 3.437 -0.905 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.763 1.160 -2.427 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.293 1.753 -3.175 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.554 1.479 -0.151 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.029 0.142 -1.155 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.949 1.358 0.739 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.505 0.502 0.843 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.256 -0.058 -0.294 1.00 0.00 H new ATOM 20 N GLN A 2 -11.482 4.733 -1.861 1.00 0.00 N ATOM 21 CA GLN A 2 -10.461 5.637 -2.420 1.00 0.00 C ATOM 22 C GLN A 2 -9.259 5.582 -1.544 1.00 0.00 C ATOM 23 O GLN A 2 -9.320 5.227 -0.381 1.00 0.00 O ATOM 24 CB GLN A 2 -11.084 7.016 -2.419 1.00 0.00 C ATOM 25 CG GLN A 2 -9.990 8.085 -2.469 1.00 0.00 C ATOM 26 CD GLN A 2 -10.542 9.360 -3.105 1.00 0.00 C ATOM 27 OE1 GLN A 2 -9.969 9.886 -4.037 1.00 0.00 O ATOM 28 NE2 GLN A 2 -11.640 9.887 -2.635 1.00 0.00 N ATOM 0 H GLN A 2 -11.450 4.620 -0.848 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.152 5.365 -3.429 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -11.749 7.124 -3.276 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.693 7.148 -1.524 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.629 8.296 -1.463 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -9.138 7.720 -3.043 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.123 9.446 -1.852 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.015 10.739 -3.051 1.00 0.00 H new ATOM 37 N ILE A 3 -8.144 5.841 -2.105 1.00 0.00 N ATOM 38 CA ILE A 3 -6.945 5.710 -1.318 1.00 0.00 C ATOM 39 C ILE A 3 -5.904 6.731 -1.735 1.00 0.00 C ATOM 40 O ILE A 3 -6.050 7.433 -2.714 1.00 0.00 O ATOM 41 CB ILE A 3 -6.473 4.285 -1.635 1.00 0.00 C ATOM 42 CG1 ILE A 3 -5.444 4.308 -2.776 1.00 0.00 C ATOM 43 CG2 ILE A 3 -7.668 3.401 -2.072 1.00 0.00 C ATOM 44 CD1 ILE A 3 -5.531 3.013 -3.595 1.00 0.00 C ATOM 0 H ILE A 3 -8.017 6.137 -3.073 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.112 5.880 -0.254 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.021 3.873 -0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.625 5.168 -3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.440 4.422 -2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.314 2.394 -2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.403 3.359 -1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.129 3.827 -2.963 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.797 3.042 -4.400 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.327 2.159 -2.949 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.531 2.917 -4.019 1.00 0.00 H new ATOM 56 N LEU A 4 -4.829 6.767 -1.030 1.00 0.00 N ATOM 57 CA LEU A 4 -3.750 7.679 -1.417 1.00 0.00 C ATOM 58 C LEU A 4 -2.470 6.882 -1.537 1.00 0.00 C ATOM 59 O LEU A 4 -1.908 6.437 -0.557 1.00 0.00 O ATOM 60 CB LEU A 4 -3.627 8.692 -0.295 1.00 0.00 C ATOM 61 CG LEU A 4 -2.573 9.735 -0.695 1.00 0.00 C ATOM 62 CD1 LEU A 4 -1.190 9.131 -0.501 1.00 0.00 C ATOM 63 CD2 LEU A 4 -2.757 10.119 -2.165 1.00 0.00 C ATOM 0 H LEU A 4 -4.651 6.202 -0.200 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.946 8.174 -2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.587 9.174 -0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.338 8.197 0.632 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.684 10.626 -0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.431 9.862 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.058 8.854 0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.089 8.244 -1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.007 10.859 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.643 9.233 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.753 10.539 -2.310 1.00 0.00 H new ATOM 75 N PHE A 5 -1.995 6.700 -2.723 1.00 0.00 N ATOM 76 CA PHE A 5 -0.744 5.933 -2.883 1.00 0.00 C ATOM 77 C PHE A 5 0.374 6.898 -3.288 1.00 0.00 C ATOM 78 O PHE A 5 0.444 7.353 -4.410 1.00 0.00 O ATOM 79 CB PHE A 5 -1.059 4.907 -3.978 1.00 0.00 C ATOM 80 CG PHE A 5 0.182 4.125 -4.327 1.00 0.00 C ATOM 81 CD1 PHE A 5 1.125 4.669 -5.206 1.00 0.00 C ATOM 82 CD2 PHE A 5 0.386 2.854 -3.777 1.00 0.00 C ATOM 83 CE1 PHE A 5 2.275 3.941 -5.534 1.00 0.00 C ATOM 84 CE2 PHE A 5 1.536 2.126 -4.107 1.00 0.00 C ATOM 85 CZ PHE A 5 2.480 2.670 -4.985 1.00 0.00 C ATOM 0 H PHE A 5 -2.415 7.046 -3.586 1.00 0.00 H new ATOM 0 HA PHE A 5 -0.407 5.432 -1.976 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.842 4.229 -3.638 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.440 5.415 -4.864 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.966 5.649 -5.631 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.343 2.435 -3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 5 3.004 4.360 -6.211 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.694 1.145 -3.684 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.367 2.109 -5.239 1.00 0.00 H new ATOM 95 N ASN A 6 1.231 7.242 -2.367 1.00 0.00 N ATOM 96 CA ASN A 6 2.317 8.209 -2.681 1.00 0.00 C ATOM 97 C ASN A 6 1.705 9.529 -3.120 1.00 0.00 C ATOM 98 O ASN A 6 1.959 10.045 -4.189 1.00 0.00 O ATOM 99 CB ASN A 6 3.155 7.563 -3.786 1.00 0.00 C ATOM 100 CG ASN A 6 4.397 8.413 -4.077 1.00 0.00 C ATOM 101 OD1 ASN A 6 5.072 8.933 -3.088 1.00 0.00 O flip ATOM 102 ND2 ASN A 6 4.760 8.605 -5.222 1.00 0.00 N flip ATOM 0 H ASN A 6 1.225 6.894 -1.408 1.00 0.00 H new ATOM 0 HA ASN A 6 2.947 8.428 -1.819 1.00 0.00 H new ATOM 0 HB2 ASN A 6 3.455 6.559 -3.485 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.557 7.458 -4.691 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.236 8.201 -5.998 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.589 9.170 -5.406 1.00 0.00 H new ATOM 109 N ASP A 7 0.896 10.063 -2.262 1.00 0.00 N ATOM 110 CA ASP A 7 0.214 11.359 -2.527 1.00 0.00 C ATOM 111 C ASP A 7 -0.596 11.275 -3.817 1.00 0.00 C ATOM 112 O ASP A 7 -0.957 12.275 -4.407 1.00 0.00 O ATOM 113 CB ASP A 7 1.295 12.425 -2.627 1.00 0.00 C ATOM 114 CG ASP A 7 2.560 11.993 -1.871 1.00 0.00 C ATOM 115 OD1 ASP A 7 2.437 11.629 -0.713 1.00 0.00 O ATOM 116 OD2 ASP A 7 3.623 12.030 -2.467 1.00 0.00 O ATOM 0 H ASP A 7 0.669 9.646 -1.359 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.483 11.605 -1.726 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.536 12.607 -3.674 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.924 13.365 -2.217 1.00 0.00 H new ATOM 121 N GLN A 8 -0.919 10.089 -4.232 1.00 0.00 N ATOM 122 CA GLN A 8 -1.750 9.937 -5.456 1.00 0.00 C ATOM 123 C GLN A 8 -3.083 9.343 -5.050 1.00 0.00 C ATOM 124 O GLN A 8 -3.148 8.304 -4.435 1.00 0.00 O ATOM 125 CB GLN A 8 -0.992 8.986 -6.367 1.00 0.00 C ATOM 126 CG GLN A 8 0.352 9.609 -6.728 1.00 0.00 C ATOM 127 CD GLN A 8 0.372 9.946 -8.219 1.00 0.00 C ATOM 128 OE1 GLN A 8 0.826 11.001 -8.612 1.00 0.00 O ATOM 129 NE2 GLN A 8 -0.110 9.085 -9.072 1.00 0.00 N ATOM 0 H GLN A 8 -0.645 9.217 -3.779 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.934 10.884 -5.964 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.841 8.028 -5.869 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.570 8.789 -7.270 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.517 10.510 -6.138 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.161 8.919 -6.489 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.491 8.199 -8.742 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.105 9.298 -10.069 1.00 0.00 H new ATOM 138 N ALA A 9 -4.146 10.002 -5.361 1.00 0.00 N ATOM 139 CA ALA A 9 -5.465 9.470 -4.949 1.00 0.00 C ATOM 140 C ALA A 9 -5.894 8.314 -5.842 1.00 0.00 C ATOM 141 O ALA A 9 -5.576 8.254 -7.015 1.00 0.00 O ATOM 142 CB ALA A 9 -6.426 10.641 -5.079 1.00 0.00 C ATOM 0 H ALA A 9 -4.165 10.881 -5.879 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.440 9.074 -3.934 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.428 10.323 -4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.101 11.453 -4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.439 10.988 -6.112 1.00 0.00 H new ATOM 148 N MET A 10 -6.601 7.385 -5.274 1.00 0.00 N ATOM 149 CA MET A 10 -7.054 6.197 -6.055 1.00 0.00 C ATOM 150 C MET A 10 -8.434 5.741 -5.630 1.00 0.00 C ATOM 151 O MET A 10 -9.058 6.298 -4.753 1.00 0.00 O ATOM 152 CB MET A 10 -6.109 5.075 -5.672 1.00 0.00 C ATOM 153 CG MET A 10 -5.749 4.242 -6.898 1.00 0.00 C ATOM 154 SD MET A 10 -4.347 4.991 -7.763 1.00 0.00 S ATOM 155 CE MET A 10 -3.190 4.936 -6.377 1.00 0.00 C ATOM 0 H MET A 10 -6.889 7.393 -4.296 1.00 0.00 H new ATOM 0 HA MET A 10 -7.070 6.443 -7.117 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.204 5.489 -5.227 1.00 0.00 H new ATOM 0 HB3 MET A 10 -6.574 4.441 -4.917 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.500 3.225 -6.597 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.607 4.175 -7.567 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.205 4.640 -6.737 1.00 0.00 H new ATOM 0 HE2 MET A 10 -3.127 5.922 -5.917 1.00 0.00 H new ATOM 0 HE3 MET A 10 -3.539 4.213 -5.640 1.00 0.00 H new ATOM 165 N GLN A 11 -8.854 4.663 -6.220 1.00 0.00 N ATOM 166 CA GLN A 11 -10.136 4.022 -5.860 1.00 0.00 C ATOM 167 C GLN A 11 -9.960 2.541 -6.125 1.00 0.00 C ATOM 168 O GLN A 11 -9.621 2.122 -7.213 1.00 0.00 O ATOM 169 CB GLN A 11 -11.237 4.576 -6.743 1.00 0.00 C ATOM 170 CG GLN A 11 -10.840 5.926 -7.351 1.00 0.00 C ATOM 171 CD GLN A 11 -11.783 6.258 -8.508 1.00 0.00 C ATOM 172 OE1 GLN A 11 -12.988 6.192 -8.361 1.00 0.00 O ATOM 173 NE2 GLN A 11 -11.282 6.610 -9.660 1.00 0.00 N ATOM 0 H GLN A 11 -8.341 4.186 -6.962 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.404 4.208 -4.820 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.457 3.867 -7.541 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.150 4.693 -6.159 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -10.888 6.707 -6.592 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.810 5.889 -7.706 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.271 6.665 -9.781 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.902 6.831 -10.440 1.00 0.00 H new ATOM 182 N CYS A 12 -10.128 1.760 -5.129 1.00 0.00 N ATOM 183 CA CYS A 12 -9.909 0.297 -5.299 1.00 0.00 C ATOM 184 C CYS A 12 -10.890 -0.538 -4.487 1.00 0.00 C ATOM 185 O CYS A 12 -11.911 -0.070 -4.027 1.00 0.00 O ATOM 186 CB CYS A 12 -8.492 0.076 -4.784 1.00 0.00 C ATOM 187 SG CYS A 12 -8.475 0.300 -2.989 1.00 0.00 S ATOM 0 H CYS A 12 -10.408 2.055 -4.194 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.055 -0.007 -6.335 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.150 -0.926 -5.041 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.806 0.778 -5.257 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.304 1.247 -2.662 1.00 0.00 H new ATOM 193 N ALA A 13 -10.571 -1.790 -4.335 1.00 0.00 N ATOM 194 CA ALA A 13 -11.447 -2.714 -3.585 1.00 0.00 C ATOM 195 C ALA A 13 -11.311 -2.516 -2.081 1.00 0.00 C ATOM 196 O ALA A 13 -10.339 -2.916 -1.477 1.00 0.00 O ATOM 197 CB ALA A 13 -10.956 -4.106 -3.970 1.00 0.00 C ATOM 0 H ALA A 13 -9.722 -2.216 -4.708 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.498 -2.549 -3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.554 -4.858 -3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.052 -4.241 -5.047 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.910 -4.215 -3.683 1.00 0.00 H new ATOM 203 N ALA A 14 -12.282 -1.914 -1.466 1.00 0.00 N ATOM 204 CA ALA A 14 -12.201 -1.717 0.004 1.00 0.00 C ATOM 205 C ALA A 14 -12.170 -3.067 0.701 1.00 0.00 C ATOM 206 O ALA A 14 -12.857 -3.996 0.328 1.00 0.00 O ATOM 207 CB ALA A 14 -13.460 -0.958 0.389 1.00 0.00 C ATOM 0 H ALA A 14 -13.124 -1.551 -1.912 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.302 -1.173 0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.463 -0.780 1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.485 -0.004 -0.137 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.337 -1.546 0.116 1.00 0.00 H new ATOM 213 N GLY A 15 -11.369 -3.179 1.704 1.00 0.00 N ATOM 214 CA GLY A 15 -11.269 -4.460 2.430 1.00 0.00 C ATOM 215 C GLY A 15 -10.182 -5.309 1.778 1.00 0.00 C ATOM 216 O GLY A 15 -9.891 -6.408 2.207 1.00 0.00 O ATOM 0 H GLY A 15 -10.772 -2.432 2.058 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.031 -4.282 3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -12.224 -4.984 2.404 1.00 0.00 H new ATOM 220 N GLN A 16 -9.582 -4.800 0.737 1.00 0.00 N ATOM 221 CA GLN A 16 -8.510 -5.560 0.042 1.00 0.00 C ATOM 222 C GLN A 16 -7.151 -5.220 0.656 1.00 0.00 C ATOM 223 O GLN A 16 -6.845 -4.064 0.877 1.00 0.00 O ATOM 224 CB GLN A 16 -8.586 -5.075 -1.407 1.00 0.00 C ATOM 225 CG GLN A 16 -7.726 -3.817 -1.604 1.00 0.00 C ATOM 226 CD GLN A 16 -7.707 -3.446 -3.086 1.00 0.00 C ATOM 227 OE1 GLN A 16 -8.132 -2.374 -3.463 1.00 0.00 O ATOM 228 NE2 GLN A 16 -7.225 -4.296 -3.949 1.00 0.00 N ATOM 0 H GLN A 16 -9.791 -3.885 0.337 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.631 -6.640 0.122 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.245 -5.863 -2.078 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.622 -4.859 -1.670 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.128 -2.992 -1.016 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.711 -3.997 -1.249 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.868 -5.197 -3.632 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.205 -4.060 -4.941 1.00 0.00 H new ATOM 237 N THR A 17 -6.327 -6.185 0.936 1.00 0.00 N ATOM 238 CA THR A 17 -5.017 -5.836 1.527 1.00 0.00 C ATOM 239 C THR A 17 -4.213 -4.957 0.591 1.00 0.00 C ATOM 240 O THR A 17 -4.675 -4.472 -0.422 1.00 0.00 O ATOM 241 CB THR A 17 -4.206 -7.113 1.693 1.00 0.00 C ATOM 242 OG1 THR A 17 -3.594 -7.444 0.454 1.00 0.00 O ATOM 243 CG2 THR A 17 -5.066 -8.279 2.128 1.00 0.00 C ATOM 0 H THR A 17 -6.500 -7.179 0.785 1.00 0.00 H new ATOM 0 HA THR A 17 -5.202 -5.322 2.470 1.00 0.00 H new ATOM 0 HB THR A 17 -3.459 -6.930 2.465 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.624 -7.509 0.575 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.446 -9.169 2.234 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.536 -8.048 3.084 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.837 -8.461 1.380 1.00 0.00 H new ATOM 251 N VAL A 18 -2.977 -4.815 0.934 1.00 0.00 N ATOM 252 CA VAL A 18 -2.020 -4.039 0.120 1.00 0.00 C ATOM 253 C VAL A 18 -1.617 -4.872 -1.056 1.00 0.00 C ATOM 254 O VAL A 18 -1.769 -4.489 -2.194 1.00 0.00 O ATOM 255 CB VAL A 18 -0.851 -3.933 1.020 1.00 0.00 C ATOM 256 CG1 VAL A 18 0.264 -3.170 0.336 1.00 0.00 C ATOM 257 CG2 VAL A 18 -1.291 -3.263 2.302 1.00 0.00 C ATOM 0 H VAL A 18 -2.574 -5.221 1.779 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.409 -3.084 -0.233 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.461 -4.922 1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.120 -3.097 1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.559 -3.694 -0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.083 -2.169 0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.440 -3.177 2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.679 -2.269 2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.071 -3.859 2.775 1.00 0.00 H new ATOM 267 N HIS A 19 -1.163 -6.072 -0.780 1.00 0.00 N ATOM 268 CA HIS A 19 -0.827 -6.982 -1.888 1.00 0.00 C ATOM 269 C HIS A 19 -2.036 -6.946 -2.798 1.00 0.00 C ATOM 270 O HIS A 19 -1.963 -7.085 -4.006 1.00 0.00 O ATOM 271 CB HIS A 19 -0.701 -8.351 -1.217 1.00 0.00 C ATOM 272 CG HIS A 19 -0.226 -9.383 -2.214 1.00 0.00 C ATOM 273 ND1 HIS A 19 0.385 -10.568 -1.822 1.00 0.00 N ATOM 274 CD2 HIS A 19 -0.275 -9.429 -3.588 1.00 0.00 C ATOM 275 CE1 HIS A 19 0.674 -11.265 -2.937 1.00 0.00 C ATOM 276 NE2 HIS A 19 0.293 -10.616 -4.040 1.00 0.00 N ATOM 0 H HIS A 19 -1.016 -6.445 0.158 1.00 0.00 H new ATOM 0 HA HIS A 19 0.075 -6.740 -2.451 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.001 -8.292 -0.383 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.664 -8.651 -0.804 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.692 -8.659 -4.221 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.156 -12.232 -2.939 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.396 -10.924 -5.007 1.00 0.00 H new ATOM 284 N GLU A 20 -3.162 -6.680 -2.188 1.00 0.00 N ATOM 285 CA GLU A 20 -4.415 -6.570 -2.975 1.00 0.00 C ATOM 286 C GLU A 20 -4.525 -5.164 -3.546 1.00 0.00 C ATOM 287 O GLU A 20 -4.924 -4.973 -4.677 1.00 0.00 O ATOM 288 CB GLU A 20 -5.554 -6.854 -1.994 1.00 0.00 C ATOM 289 CG GLU A 20 -5.570 -8.342 -1.644 1.00 0.00 C ATOM 290 CD GLU A 20 -6.936 -8.936 -1.997 1.00 0.00 C ATOM 291 OE1 GLU A 20 -7.665 -8.298 -2.740 1.00 0.00 O ATOM 292 OE2 GLU A 20 -7.232 -10.015 -1.512 1.00 0.00 O ATOM 0 H GLU A 20 -3.263 -6.536 -1.183 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.444 -7.268 -3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.426 -6.259 -1.090 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.508 -6.563 -2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.783 -8.863 -2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.366 -8.479 -0.582 1.00 0.00 H new ATOM 299 N LEU A 21 -4.170 -4.170 -2.779 1.00 0.00 N ATOM 300 CA LEU A 21 -4.264 -2.788 -3.311 1.00 0.00 C ATOM 301 C LEU A 21 -3.203 -2.599 -4.396 1.00 0.00 C ATOM 302 O LEU A 21 -3.502 -2.282 -5.531 1.00 0.00 O ATOM 303 CB LEU A 21 -3.997 -1.879 -2.103 1.00 0.00 C ATOM 304 CG LEU A 21 -4.654 -0.486 -2.262 1.00 0.00 C ATOM 305 CD1 LEU A 21 -3.581 0.571 -2.517 1.00 0.00 C ATOM 306 CD2 LEU A 21 -5.654 -0.468 -3.421 1.00 0.00 C ATOM 0 H LEU A 21 -3.825 -4.255 -1.823 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.230 -2.564 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.377 -2.357 -1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.922 -1.759 -1.972 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.187 -0.265 -1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.052 1.548 -2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.887 0.595 -1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.037 0.325 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.097 0.525 -3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.139 -0.715 -4.350 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.439 -1.201 -3.235 1.00 0.00 H new ATOM 318 N LEU A 22 -1.966 -2.821 -4.055 1.00 0.00 N ATOM 319 CA LEU A 22 -0.871 -2.691 -5.056 1.00 0.00 C ATOM 320 C LEU A 22 -1.260 -3.389 -6.341 1.00 0.00 C ATOM 321 O LEU A 22 -1.225 -2.828 -7.419 1.00 0.00 O ATOM 322 CB LEU A 22 0.288 -3.458 -4.436 1.00 0.00 C ATOM 323 CG LEU A 22 0.999 -2.588 -3.423 1.00 0.00 C ATOM 324 CD1 LEU A 22 2.196 -3.351 -2.864 1.00 0.00 C ATOM 325 CD2 LEU A 22 1.482 -1.336 -4.131 1.00 0.00 C ATOM 0 H LEU A 22 -1.663 -3.089 -3.119 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.643 -1.650 -5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.080 -4.364 -3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.986 -3.771 -5.213 1.00 0.00 H new ATOM 0 HG LEU A 22 0.328 -2.323 -2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.714 -2.730 -2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.852 -4.267 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.879 -3.602 -3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.999 -0.692 -3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.166 -1.613 -4.933 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.629 -0.803 -4.550 1.00 0.00 H new ATOM 337 N GLU A 23 -1.618 -4.625 -6.220 1.00 0.00 N ATOM 338 CA GLU A 23 -2.005 -5.406 -7.420 1.00 0.00 C ATOM 339 C GLU A 23 -3.060 -4.632 -8.208 1.00 0.00 C ATOM 340 O GLU A 23 -2.967 -4.492 -9.412 1.00 0.00 O ATOM 341 CB GLU A 23 -2.580 -6.696 -6.851 1.00 0.00 C ATOM 342 CG GLU A 23 -2.962 -7.640 -7.987 1.00 0.00 C ATOM 343 CD GLU A 23 -3.866 -8.749 -7.447 1.00 0.00 C ATOM 344 OE1 GLU A 23 -4.538 -8.508 -6.459 1.00 0.00 O ATOM 345 OE2 GLU A 23 -3.867 -9.821 -8.028 1.00 0.00 O ATOM 0 H GLU A 23 -1.661 -5.135 -5.338 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.178 -5.597 -8.103 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.848 -7.174 -6.200 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.455 -6.476 -6.240 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.476 -7.089 -8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.066 -8.072 -8.432 1.00 0.00 H new ATOM 352 N GLN A 24 -4.048 -4.104 -7.539 1.00 0.00 N ATOM 353 CA GLN A 24 -5.082 -3.315 -8.262 1.00 0.00 C ATOM 354 C GLN A 24 -4.404 -2.131 -8.937 1.00 0.00 C ATOM 355 O GLN A 24 -4.687 -1.783 -10.065 1.00 0.00 O ATOM 356 CB GLN A 24 -6.037 -2.804 -7.186 1.00 0.00 C ATOM 357 CG GLN A 24 -7.280 -2.224 -7.858 1.00 0.00 C ATOM 358 CD GLN A 24 -8.146 -3.367 -8.386 1.00 0.00 C ATOM 359 OE1 GLN A 24 -7.943 -4.511 -8.032 1.00 0.00 O ATOM 360 NE2 GLN A 24 -9.106 -3.106 -9.228 1.00 0.00 N ATOM 0 H GLN A 24 -4.183 -4.184 -6.531 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.602 -3.904 -9.017 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.316 -3.616 -6.514 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.547 -2.042 -6.579 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.845 -1.622 -7.146 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.991 -1.563 -8.675 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.276 -2.145 -9.525 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.687 -3.862 -9.590 1.00 0.00 H new ATOM 369 N LEU A 25 -3.497 -1.516 -8.237 1.00 0.00 N ATOM 370 CA LEU A 25 -2.766 -0.355 -8.794 1.00 0.00 C ATOM 371 C LEU A 25 -1.772 -0.849 -9.848 1.00 0.00 C ATOM 372 O LEU A 25 -1.300 -0.093 -10.672 1.00 0.00 O ATOM 373 CB LEU A 25 -2.065 0.264 -7.583 1.00 0.00 C ATOM 374 CG LEU A 25 -3.069 1.131 -6.805 1.00 0.00 C ATOM 375 CD1 LEU A 25 -3.993 0.266 -5.952 1.00 0.00 C ATOM 376 CD2 LEU A 25 -2.319 2.090 -5.882 1.00 0.00 C ATOM 0 H LEU A 25 -3.229 -1.775 -7.288 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.404 0.375 -9.292 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.667 -0.520 -6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.219 0.869 -7.908 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.663 1.686 -7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.693 0.904 -5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.547 -0.418 -6.595 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.400 -0.306 -5.239 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.035 2.702 -5.333 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.715 1.519 -5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.671 2.735 -6.476 1.00 0.00 H new ATOM 388 N ASP A 26 -1.469 -2.127 -9.810 1.00 0.00 N ATOM 389 CA ASP A 26 -0.518 -2.747 -10.783 1.00 0.00 C ATOM 390 C ASP A 26 0.913 -2.405 -10.399 1.00 0.00 C ATOM 391 O ASP A 26 1.745 -2.119 -11.235 1.00 0.00 O ATOM 392 CB ASP A 26 -0.879 -2.149 -12.139 1.00 0.00 C ATOM 393 CG ASP A 26 -0.238 -2.975 -13.255 1.00 0.00 C ATOM 394 OD1 ASP A 26 0.639 -3.767 -12.950 1.00 0.00 O ATOM 395 OD2 ASP A 26 -0.632 -2.797 -14.394 1.00 0.00 O ATOM 0 H ASP A 26 -1.853 -2.780 -9.127 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.590 -3.835 -10.798 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.962 -2.132 -12.263 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -0.535 -1.116 -12.195 1.00 0.00 H new ATOM 400 N GLN A 27 1.202 -2.432 -9.133 1.00 0.00 N ATOM 401 CA GLN A 27 2.580 -2.109 -8.678 1.00 0.00 C ATOM 402 C GLN A 27 2.960 -3.071 -7.554 1.00 0.00 C ATOM 403 O GLN A 27 2.491 -2.950 -6.440 1.00 0.00 O ATOM 404 CB GLN A 27 2.528 -0.660 -8.154 1.00 0.00 C ATOM 405 CG GLN A 27 1.313 0.090 -8.731 1.00 0.00 C ATOM 406 CD GLN A 27 1.621 1.585 -8.816 1.00 0.00 C ATOM 407 OE1 GLN A 27 2.550 2.095 -8.054 1.00 0.00 O flip ATOM 408 NE2 GLN A 27 1.011 2.298 -9.587 1.00 0.00 N flip ATOM 0 H GLN A 27 0.543 -2.664 -8.390 1.00 0.00 H new ATOM 0 HA GLN A 27 3.317 -2.205 -9.475 1.00 0.00 H new ATOM 0 HB2 GLN A 27 2.474 -0.665 -7.065 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.445 -0.138 -8.426 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.071 -0.298 -9.721 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.439 -0.076 -8.101 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.285 1.901 -10.183 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.225 3.294 -9.639 1.00 0.00 H new ATOM 417 N ARG A 28 3.794 -4.033 -7.835 1.00 0.00 N ATOM 418 CA ARG A 28 4.183 -5.002 -6.781 1.00 0.00 C ATOM 419 C ARG A 28 5.137 -4.342 -5.790 1.00 0.00 C ATOM 420 O ARG A 28 4.717 -3.536 -4.987 1.00 0.00 O ATOM 421 CB ARG A 28 4.848 -6.145 -7.534 1.00 0.00 C ATOM 422 CG ARG A 28 3.761 -6.979 -8.211 1.00 0.00 C ATOM 423 CD ARG A 28 2.990 -7.762 -7.149 1.00 0.00 C ATOM 424 NE ARG A 28 3.802 -8.983 -6.914 1.00 0.00 N ATOM 425 CZ ARG A 28 3.279 -9.997 -6.286 1.00 0.00 C ATOM 426 NH1 ARG A 28 2.830 -9.848 -5.070 1.00 0.00 N ATOM 427 NH2 ARG A 28 3.202 -11.158 -6.876 1.00 0.00 N ATOM 0 H ARG A 28 4.221 -4.188 -8.748 1.00 0.00 H new ATOM 0 HA ARG A 28 3.336 -5.356 -6.193 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.543 -5.755 -8.277 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.428 -6.763 -6.849 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.082 -6.331 -8.766 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.208 -7.664 -8.931 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.876 -7.181 -6.234 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.987 -8.014 -7.494 1.00 0.00 H new ATOM 0 HE ARG A 28 4.766 -9.027 -7.243 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.889 -8.938 -4.613 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.420 -10.641 -4.577 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.551 -11.271 -7.828 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.793 -11.953 -6.386 1.00 0.00 H new ATOM 441 N GLN A 29 6.411 -4.661 -5.831 1.00 0.00 N ATOM 442 CA GLN A 29 7.353 -4.021 -4.867 1.00 0.00 C ATOM 443 C GLN A 29 8.768 -4.626 -4.921 1.00 0.00 C ATOM 444 O GLN A 29 9.746 -3.937 -4.705 1.00 0.00 O ATOM 445 CB GLN A 29 6.730 -4.281 -3.499 1.00 0.00 C ATOM 446 CG GLN A 29 6.353 -5.761 -3.356 1.00 0.00 C ATOM 447 CD GLN A 29 4.839 -5.940 -3.449 1.00 0.00 C ATOM 448 OE1 GLN A 29 4.086 -5.109 -2.986 1.00 0.00 O ATOM 449 NE2 GLN A 29 4.360 -7.014 -4.017 1.00 0.00 N ATOM 0 H GLN A 29 6.830 -5.326 -6.481 1.00 0.00 H new ATOM 0 HA GLN A 29 7.482 -2.963 -5.097 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.432 -4.000 -2.713 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.844 -3.659 -3.372 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.842 -6.344 -4.136 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.712 -6.143 -2.400 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.995 -7.712 -4.406 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.351 -7.155 -4.072 1.00 0.00 H new ATOM 458 N ALA A 30 8.898 -5.901 -5.171 1.00 0.00 N ATOM 459 CA ALA A 30 10.260 -6.527 -5.195 1.00 0.00 C ATOM 460 C ALA A 30 11.104 -6.072 -4.008 1.00 0.00 C ATOM 461 O ALA A 30 12.312 -6.186 -4.027 1.00 0.00 O ATOM 462 CB ALA A 30 10.918 -6.028 -6.465 1.00 0.00 C ATOM 0 H ALA A 30 8.124 -6.538 -5.360 1.00 0.00 H new ATOM 0 HA ALA A 30 10.178 -7.613 -5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.920 -6.449 -6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.325 -6.335 -7.327 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.982 -4.940 -6.438 1.00 0.00 H new ATOM 468 N GLY A 31 10.504 -5.550 -2.985 1.00 0.00 N ATOM 469 CA GLY A 31 11.314 -5.090 -1.835 1.00 0.00 C ATOM 470 C GLY A 31 10.958 -3.639 -1.519 1.00 0.00 C ATOM 471 O GLY A 31 11.809 -2.834 -1.198 1.00 0.00 O ATOM 0 H GLY A 31 9.496 -5.422 -2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.125 -5.721 -0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.376 -5.175 -2.066 1.00 0.00 H new ATOM 475 N ALA A 32 9.702 -3.304 -1.615 1.00 0.00 N ATOM 476 CA ALA A 32 9.270 -1.906 -1.331 1.00 0.00 C ATOM 477 C ALA A 32 8.616 -1.820 0.045 1.00 0.00 C ATOM 478 O ALA A 32 8.219 -2.813 0.620 1.00 0.00 O ATOM 479 CB ALA A 32 8.234 -1.582 -2.410 1.00 0.00 C ATOM 0 H ALA A 32 8.951 -3.942 -1.879 1.00 0.00 H new ATOM 0 HA ALA A 32 10.112 -1.214 -1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.867 -0.566 -2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.695 -1.668 -3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.402 -2.282 -2.337 1.00 0.00 H new ATOM 485 N ALA A 33 8.475 -0.637 0.563 1.00 0.00 N ATOM 486 CA ALA A 33 7.814 -0.488 1.889 1.00 0.00 C ATOM 487 C ALA A 33 6.804 0.652 1.806 1.00 0.00 C ATOM 488 O ALA A 33 6.887 1.490 0.931 1.00 0.00 O ATOM 489 CB ALA A 33 8.931 -0.172 2.871 1.00 0.00 C ATOM 0 H ALA A 33 8.787 0.232 0.130 1.00 0.00 H new ATOM 0 HA ALA A 33 7.274 -1.382 2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.513 -0.049 3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.652 -0.989 2.877 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.430 0.750 2.571 1.00 0.00 H new ATOM 495 N LEU A 34 5.828 0.682 2.668 1.00 0.00 N ATOM 496 CA LEU A 34 4.816 1.767 2.563 1.00 0.00 C ATOM 497 C LEU A 34 4.240 2.136 3.935 1.00 0.00 C ATOM 498 O LEU A 34 4.252 1.346 4.858 1.00 0.00 O ATOM 499 CB LEU A 34 3.754 1.175 1.618 1.00 0.00 C ATOM 500 CG LEU A 34 2.344 1.205 2.237 1.00 0.00 C ATOM 501 CD1 LEU A 34 1.314 0.788 1.181 1.00 0.00 C ATOM 502 CD2 LEU A 34 2.265 0.232 3.415 1.00 0.00 C ATOM 0 H LEU A 34 5.688 0.016 3.427 1.00 0.00 H new ATOM 0 HA LEU A 34 5.229 2.703 2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.750 1.734 0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.020 0.147 1.374 1.00 0.00 H new ATOM 0 HG LEU A 34 2.135 2.216 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.316 0.809 1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.356 1.479 0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.537 -0.221 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.264 0.262 3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.481 -0.778 3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.994 0.519 4.173 1.00 0.00 H new ATOM 514 N ALA A 35 3.713 3.328 4.066 1.00 0.00 N ATOM 515 CA ALA A 35 3.112 3.731 5.369 1.00 0.00 C ATOM 516 C ALA A 35 1.652 4.118 5.158 1.00 0.00 C ATOM 517 O ALA A 35 1.346 5.080 4.482 1.00 0.00 O ATOM 518 CB ALA A 35 3.926 4.934 5.847 1.00 0.00 C ATOM 0 H ALA A 35 3.674 4.034 3.331 1.00 0.00 H new ATOM 0 HA ALA A 35 3.135 2.925 6.102 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.535 5.281 6.803 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.970 4.643 5.966 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.854 5.737 5.113 1.00 0.00 H new ATOM 524 N ILE A 36 0.745 3.375 5.724 1.00 0.00 N ATOM 525 CA ILE A 36 -0.694 3.713 5.541 1.00 0.00 C ATOM 526 C ILE A 36 -1.246 4.372 6.807 1.00 0.00 C ATOM 527 O ILE A 36 -1.177 3.825 7.883 1.00 0.00 O ATOM 528 CB ILE A 36 -1.405 2.387 5.274 1.00 0.00 C ATOM 529 CG1 ILE A 36 -0.782 1.712 4.051 1.00 0.00 C ATOM 530 CG2 ILE A 36 -2.883 2.663 5.000 1.00 0.00 C ATOM 531 CD1 ILE A 36 -1.563 0.441 3.703 1.00 0.00 C ATOM 0 H ILE A 36 0.934 2.555 6.301 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.842 4.415 4.721 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.303 1.733 6.140 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.789 2.397 3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.260 1.465 4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.399 1.722 4.808 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.329 3.151 5.867 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.977 3.312 4.130 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.114 -0.035 2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.533 -0.247 4.548 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.599 0.699 3.482 1.00 0.00 H new ATOM 543 N ASN A 37 -1.793 5.546 6.685 1.00 0.00 N ATOM 544 CA ASN A 37 -2.349 6.249 7.881 1.00 0.00 C ATOM 545 C ASN A 37 -1.227 6.593 8.868 1.00 0.00 C ATOM 546 O ASN A 37 -1.424 6.576 10.061 1.00 0.00 O ATOM 547 CB ASN A 37 -3.343 5.273 8.522 1.00 0.00 C ATOM 548 CG ASN A 37 -4.359 4.821 7.475 1.00 0.00 C ATOM 549 OD1 ASN A 37 -4.422 3.657 7.136 1.00 0.00 O ATOM 550 ND2 ASN A 37 -5.164 5.700 6.946 1.00 0.00 N ATOM 0 H ASN A 37 -1.881 6.055 5.806 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.832 7.186 7.604 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.813 4.411 8.926 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.854 5.753 9.357 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.847 5.410 6.247 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.110 6.678 7.232 1.00 0.00 H new ATOM 557 N GLN A 38 -0.057 6.896 8.359 1.00 0.00 N ATOM 558 CA GLN A 38 1.121 7.244 9.223 1.00 0.00 C ATOM 559 C GLN A 38 1.685 5.985 9.876 1.00 0.00 C ATOM 560 O GLN A 38 2.568 6.052 10.706 1.00 0.00 O ATOM 561 CB GLN A 38 0.633 8.272 10.272 1.00 0.00 C ATOM 562 CG GLN A 38 0.267 7.596 11.605 1.00 0.00 C ATOM 563 CD GLN A 38 1.409 7.771 12.607 1.00 0.00 C ATOM 564 OE1 GLN A 38 2.467 8.265 12.266 1.00 0.00 O ATOM 565 NE2 GLN A 38 1.237 7.380 13.839 1.00 0.00 N ATOM 0 H GLN A 38 0.137 6.918 7.358 1.00 0.00 H new ATOM 0 HA GLN A 38 1.930 7.679 8.636 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.412 9.015 10.443 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.235 8.804 9.883 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.649 8.031 12.004 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.072 6.536 11.444 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.349 6.966 14.123 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.990 7.488 14.518 1.00 0.00 H new ATOM 574 N GLN A 39 1.207 4.833 9.495 1.00 0.00 N ATOM 575 CA GLN A 39 1.760 3.593 10.094 1.00 0.00 C ATOM 576 C GLN A 39 2.646 2.886 9.067 1.00 0.00 C ATOM 577 O GLN A 39 2.182 2.331 8.093 1.00 0.00 O ATOM 578 CB GLN A 39 0.551 2.719 10.485 1.00 0.00 C ATOM 579 CG GLN A 39 0.025 1.941 9.277 1.00 0.00 C ATOM 580 CD GLN A 39 -1.475 1.687 9.431 1.00 0.00 C ATOM 581 OE1 GLN A 39 -2.162 1.445 8.458 1.00 0.00 O ATOM 582 NE2 GLN A 39 -2.017 1.729 10.617 1.00 0.00 N ATOM 0 H GLN A 39 0.468 4.700 8.805 1.00 0.00 H new ATOM 0 HA GLN A 39 2.375 3.799 10.970 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.840 2.023 11.273 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.241 3.348 10.890 1.00 0.00 H new ATOM 0 HG2 GLN A 39 0.215 2.502 8.362 1.00 0.00 H new ATOM 0 HG3 GLN A 39 0.555 0.993 9.186 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.441 1.932 11.434 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.017 1.559 10.727 1.00 0.00 H new ATOM 591 N ILE A 40 3.924 2.896 9.258 1.00 0.00 N ATOM 592 CA ILE A 40 4.777 2.202 8.265 1.00 0.00 C ATOM 593 C ILE A 40 4.642 0.700 8.483 1.00 0.00 C ATOM 594 O ILE A 40 5.031 0.174 9.506 1.00 0.00 O ATOM 595 CB ILE A 40 6.209 2.671 8.534 1.00 0.00 C ATOM 596 CG1 ILE A 40 6.463 3.975 7.775 1.00 0.00 C ATOM 597 CG2 ILE A 40 7.205 1.605 8.052 1.00 0.00 C ATOM 598 CD1 ILE A 40 6.072 5.168 8.649 1.00 0.00 C ATOM 0 H ILE A 40 4.409 3.341 10.037 1.00 0.00 H new ATOM 0 HA ILE A 40 4.495 2.422 7.235 1.00 0.00 H new ATOM 0 HB ILE A 40 6.341 2.832 9.604 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.515 4.046 7.497 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.887 3.986 6.850 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.223 1.944 8.246 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.025 0.672 8.586 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.074 1.442 6.982 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.255 6.094 8.104 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.015 5.100 8.905 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.667 5.161 9.562 1.00 0.00 H new ATOM 610 N VAL A 41 4.087 0.005 7.534 1.00 0.00 N ATOM 611 CA VAL A 41 3.933 -1.461 7.704 1.00 0.00 C ATOM 612 C VAL A 41 4.962 -2.187 6.892 1.00 0.00 C ATOM 613 O VAL A 41 5.304 -1.778 5.800 1.00 0.00 O ATOM 614 CB VAL A 41 2.576 -1.822 7.150 1.00 0.00 C ATOM 615 CG1 VAL A 41 2.365 -3.331 7.306 1.00 0.00 C ATOM 616 CG2 VAL A 41 1.498 -1.059 7.919 1.00 0.00 C ATOM 0 H VAL A 41 3.736 0.385 6.655 1.00 0.00 H new ATOM 0 HA VAL A 41 4.044 -1.732 8.754 1.00 0.00 H new ATOM 0 HB VAL A 41 2.515 -1.554 6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.387 -3.605 6.909 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.141 -3.865 6.759 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.416 -3.598 8.361 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.516 -1.317 7.522 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.545 -1.328 8.974 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.663 0.013 7.810 1.00 0.00 H new ATOM 626 N PRO A 42 5.401 -3.264 7.429 1.00 0.00 N ATOM 627 CA PRO A 42 6.377 -4.069 6.715 1.00 0.00 C ATOM 628 C PRO A 42 5.744 -4.804 5.544 1.00 0.00 C ATOM 629 O PRO A 42 4.792 -5.538 5.667 1.00 0.00 O ATOM 630 CB PRO A 42 6.902 -5.018 7.752 1.00 0.00 C ATOM 631 CG PRO A 42 5.848 -5.101 8.808 1.00 0.00 C ATOM 632 CD PRO A 42 5.045 -3.830 8.736 1.00 0.00 C ATOM 0 HA PRO A 42 7.170 -3.466 6.272 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.098 -5.999 7.319 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.843 -4.659 8.168 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.209 -5.969 8.647 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.299 -5.216 9.794 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.976 -4.028 8.808 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.299 -3.150 9.549 1.00 0.00 H new ATOM 640 N ARG A 43 6.308 -4.569 4.417 1.00 0.00 N ATOM 641 CA ARG A 43 5.853 -5.185 3.128 1.00 0.00 C ATOM 642 C ARG A 43 5.119 -6.514 3.316 1.00 0.00 C ATOM 643 O ARG A 43 3.997 -6.688 2.885 1.00 0.00 O ATOM 644 CB ARG A 43 7.147 -5.440 2.341 1.00 0.00 C ATOM 645 CG ARG A 43 8.250 -5.994 3.256 1.00 0.00 C ATOM 646 CD ARG A 43 9.552 -5.233 3.008 1.00 0.00 C ATOM 647 NE ARG A 43 10.219 -5.176 4.339 1.00 0.00 N ATOM 648 CZ ARG A 43 9.920 -4.220 5.176 1.00 0.00 C ATOM 649 NH1 ARG A 43 10.403 -3.026 4.992 1.00 0.00 N ATOM 650 NH2 ARG A 43 9.145 -4.458 6.200 1.00 0.00 N ATOM 0 H ARG A 43 7.108 -3.945 4.313 1.00 0.00 H new ATOM 0 HA ARG A 43 5.146 -4.523 2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.952 -6.145 1.533 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.485 -4.512 1.880 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.953 -5.897 4.300 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.396 -7.057 3.064 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.176 -5.744 2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.358 -4.233 2.620 1.00 0.00 H new ATOM 0 HE ARG A 43 10.908 -5.883 4.596 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.013 -2.840 4.196 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.172 -2.276 5.644 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.770 -5.395 6.349 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.915 -3.707 6.851 1.00 0.00 H new ATOM 664 N GLU A 44 5.767 -7.460 3.911 1.00 0.00 N ATOM 665 CA GLU A 44 5.163 -8.802 4.093 1.00 0.00 C ATOM 666 C GLU A 44 3.713 -8.725 4.605 1.00 0.00 C ATOM 667 O GLU A 44 2.911 -9.591 4.320 1.00 0.00 O ATOM 668 CB GLU A 44 6.104 -9.455 5.093 1.00 0.00 C ATOM 669 CG GLU A 44 5.654 -10.886 5.395 1.00 0.00 C ATOM 670 CD GLU A 44 6.727 -11.591 6.228 1.00 0.00 C ATOM 671 OE1 GLU A 44 7.514 -10.899 6.852 1.00 0.00 O ATOM 672 OE2 GLU A 44 6.744 -12.812 6.230 1.00 0.00 O ATOM 0 H GLU A 44 6.710 -7.362 4.288 1.00 0.00 H new ATOM 0 HA GLU A 44 5.073 -9.365 3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.119 -9.463 4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.127 -8.872 6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.707 -10.875 5.935 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.484 -11.429 4.466 1.00 0.00 H new ATOM 679 N GLN A 45 3.362 -7.708 5.342 1.00 0.00 N ATOM 680 CA GLN A 45 1.952 -7.604 5.841 1.00 0.00 C ATOM 681 C GLN A 45 1.006 -7.196 4.712 1.00 0.00 C ATOM 682 O GLN A 45 -0.168 -7.508 4.734 1.00 0.00 O ATOM 683 CB GLN A 45 1.980 -6.535 6.936 1.00 0.00 C ATOM 684 CG GLN A 45 2.723 -7.082 8.152 1.00 0.00 C ATOM 685 CD GLN A 45 2.074 -6.564 9.438 1.00 0.00 C ATOM 686 OE1 GLN A 45 1.116 -5.818 9.395 1.00 0.00 O ATOM 687 NE2 GLN A 45 2.562 -6.935 10.591 1.00 0.00 N ATOM 0 H GLN A 45 3.981 -6.947 5.621 1.00 0.00 H new ATOM 0 HA GLN A 45 1.590 -8.559 6.221 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.472 -5.634 6.569 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.964 -6.253 7.212 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.706 -8.172 8.139 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.770 -6.780 8.116 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.366 -7.561 10.627 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.139 -6.599 11.456 1.00 0.00 H new ATOM 696 N TRP A 46 1.498 -6.505 3.723 1.00 0.00 N ATOM 697 CA TRP A 46 0.626 -6.089 2.599 1.00 0.00 C ATOM 698 C TRP A 46 -0.311 -7.222 2.188 1.00 0.00 C ATOM 699 O TRP A 46 -1.428 -6.999 1.768 1.00 0.00 O ATOM 700 CB TRP A 46 1.605 -5.798 1.464 1.00 0.00 C ATOM 701 CG TRP A 46 2.459 -4.612 1.804 1.00 0.00 C ATOM 702 CD1 TRP A 46 2.544 -4.026 3.022 1.00 0.00 C ATOM 703 CD2 TRP A 46 3.364 -3.872 0.937 1.00 0.00 C ATOM 704 NE1 TRP A 46 3.447 -2.980 2.954 1.00 0.00 N ATOM 705 CE2 TRP A 46 3.978 -2.845 1.690 1.00 0.00 C ATOM 706 CE3 TRP A 46 3.711 -3.992 -0.417 1.00 0.00 C ATOM 707 CZ2 TRP A 46 4.904 -1.974 1.119 1.00 0.00 C ATOM 708 CZ3 TRP A 46 4.642 -3.113 -0.992 1.00 0.00 C ATOM 709 CH2 TRP A 46 5.238 -2.107 -0.223 1.00 0.00 C ATOM 0 H TRP A 46 2.472 -6.211 3.648 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.004 -5.238 2.859 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.235 -6.669 1.286 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.057 -5.607 0.542 1.00 0.00 H new ATOM 0 HD1 TRP A 46 1.996 -4.326 3.903 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.690 -2.382 3.744 1.00 0.00 H new ATOM 0 HE3 TRP A 46 3.259 -4.765 -1.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.360 -1.199 1.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.900 -3.214 -2.036 1.00 0.00 H new ATOM 0 HH2 TRP A 46 5.956 -1.436 -0.672 1.00 0.00 H new ATOM 720 N ALA A 47 0.149 -8.429 2.286 1.00 0.00 N ATOM 721 CA ALA A 47 -0.687 -9.589 1.880 1.00 0.00 C ATOM 722 C ALA A 47 -1.807 -9.852 2.887 1.00 0.00 C ATOM 723 O ALA A 47 -2.803 -10.475 2.571 1.00 0.00 O ATOM 724 CB ALA A 47 0.295 -10.743 1.859 1.00 0.00 C ATOM 0 H ALA A 47 1.078 -8.668 2.633 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.185 -9.429 0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.224 -11.657 1.569 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.088 -10.533 1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.727 -10.871 2.851 1.00 0.00 H new ATOM 730 N GLN A 48 -1.667 -9.377 4.087 1.00 0.00 N ATOM 731 CA GLN A 48 -2.743 -9.594 5.090 1.00 0.00 C ATOM 732 C GLN A 48 -3.141 -8.243 5.674 1.00 0.00 C ATOM 733 O GLN A 48 -3.816 -8.153 6.680 1.00 0.00 O ATOM 734 CB GLN A 48 -2.127 -10.489 6.163 1.00 0.00 C ATOM 735 CG GLN A 48 -1.448 -11.689 5.497 1.00 0.00 C ATOM 736 CD GLN A 48 -1.121 -12.745 6.555 1.00 0.00 C ATOM 737 OE1 GLN A 48 -1.684 -13.821 6.547 1.00 0.00 O ATOM 738 NE2 GLN A 48 -0.226 -12.483 7.468 1.00 0.00 N ATOM 0 H GLN A 48 -0.859 -8.850 4.418 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.636 -10.054 4.666 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.401 -9.926 6.749 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.898 -10.831 6.854 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.102 -12.113 4.735 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.536 -11.370 4.993 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.247 -11.579 7.474 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.001 -13.182 8.175 1.00 0.00 H new ATOM 747 N HIS A 49 -2.705 -7.190 5.040 1.00 0.00 N ATOM 748 CA HIS A 49 -3.021 -5.826 5.526 1.00 0.00 C ATOM 749 C HIS A 49 -4.234 -5.267 4.784 1.00 0.00 C ATOM 750 O HIS A 49 -4.105 -4.451 3.895 1.00 0.00 O ATOM 751 CB HIS A 49 -1.770 -5.028 5.194 1.00 0.00 C ATOM 752 CG HIS A 49 -1.890 -3.666 5.804 1.00 0.00 C ATOM 753 ND1 HIS A 49 -2.419 -2.492 5.332 1.00 0.00 N flip ATOM 754 CD2 HIS A 49 -1.455 -3.399 7.090 1.00 0.00 C flip ATOM 755 CE1 HIS A 49 -2.320 -1.508 6.313 1.00 0.00 C flip ATOM 756 NE2 HIS A 49 -1.731 -2.109 7.351 1.00 0.00 N flip ATOM 0 H HIS A 49 -2.136 -7.222 4.194 1.00 0.00 H new ATOM 0 HA HIS A 49 -3.270 -5.796 6.587 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.885 -5.536 5.577 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -1.649 -4.948 4.114 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.980 -4.099 7.762 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -2.648 -0.481 6.249 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -1.517 -1.646 8.234 1.00 0.00 H new ATOM 764 N ILE A 50 -5.407 -5.712 5.143 1.00 0.00 N ATOM 765 CA ILE A 50 -6.640 -5.245 4.458 1.00 0.00 C ATOM 766 C ILE A 50 -6.713 -3.722 4.434 1.00 0.00 C ATOM 767 O ILE A 50 -6.552 -3.049 5.431 1.00 0.00 O ATOM 768 CB ILE A 50 -7.793 -5.827 5.273 1.00 0.00 C ATOM 769 CG1 ILE A 50 -7.734 -7.352 5.199 1.00 0.00 C ATOM 770 CG2 ILE A 50 -9.124 -5.334 4.701 1.00 0.00 C ATOM 771 CD1 ILE A 50 -8.144 -7.812 3.801 1.00 0.00 C ATOM 0 H ILE A 50 -5.563 -6.388 5.891 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.669 -5.567 3.417 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.710 -5.507 6.312 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.726 -7.699 5.426 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.397 -7.789 5.946 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.946 -5.750 5.283 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -9.160 -4.246 4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.215 -5.655 3.663 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.102 -8.900 3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.160 -7.478 3.591 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.463 -7.387 3.064 1.00 0.00 H new ATOM 783 N VAL A 51 -6.932 -3.197 3.271 1.00 0.00 N ATOM 784 CA VAL A 51 -7.001 -1.724 3.081 1.00 0.00 C ATOM 785 C VAL A 51 -8.458 -1.244 3.130 1.00 0.00 C ATOM 786 O VAL A 51 -9.365 -1.953 2.740 1.00 0.00 O ATOM 787 CB VAL A 51 -6.396 -1.536 1.697 1.00 0.00 C ATOM 788 CG1 VAL A 51 -6.179 -0.063 1.425 1.00 0.00 C ATOM 789 CG2 VAL A 51 -5.048 -2.260 1.629 1.00 0.00 C ATOM 0 H VAL A 51 -7.070 -3.739 2.418 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.482 -1.154 3.851 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.077 -1.946 0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.746 0.064 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.134 0.461 1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.501 0.349 2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.613 -2.127 0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.375 -1.847 2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.196 -3.323 1.820 1.00 0.00 H new ATOM 799 N GLN A 52 -8.695 -0.058 3.636 1.00 0.00 N ATOM 800 CA GLN A 52 -10.104 0.442 3.739 1.00 0.00 C ATOM 801 C GLN A 52 -10.394 1.624 2.825 1.00 0.00 C ATOM 802 O GLN A 52 -9.522 2.386 2.455 1.00 0.00 O ATOM 803 CB GLN A 52 -10.247 0.954 5.157 1.00 0.00 C ATOM 804 CG GLN A 52 -10.251 -0.214 6.144 1.00 0.00 C ATOM 805 CD GLN A 52 -8.899 -0.292 6.852 1.00 0.00 C ATOM 806 OE1 GLN A 52 -8.308 0.719 7.173 1.00 0.00 O ATOM 807 NE2 GLN A 52 -8.383 -1.460 7.109 1.00 0.00 N ATOM 0 H GLN A 52 -7.980 0.582 3.980 1.00 0.00 H new ATOM 0 HA GLN A 52 -10.782 -0.366 3.463 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.427 1.633 5.390 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -11.171 1.524 5.254 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -11.049 -0.083 6.875 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.452 -1.147 5.618 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.881 -2.308 6.839 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.481 -1.526 7.581 1.00 0.00 H new ATOM 816 N ASP A 53 -11.649 1.803 2.520 1.00 0.00 N ATOM 817 CA ASP A 53 -12.077 2.951 1.692 1.00 0.00 C ATOM 818 C ASP A 53 -11.533 4.241 2.276 1.00 0.00 C ATOM 819 O ASP A 53 -11.866 4.651 3.369 1.00 0.00 O ATOM 820 CB ASP A 53 -13.589 2.930 1.758 1.00 0.00 C ATOM 821 CG ASP A 53 -14.052 3.310 3.166 1.00 0.00 C ATOM 822 OD1 ASP A 53 -13.587 2.691 4.109 1.00 0.00 O ATOM 823 OD2 ASP A 53 -14.865 4.213 3.279 1.00 0.00 O ATOM 0 H ASP A 53 -12.406 1.187 2.818 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.713 2.889 0.666 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.004 3.626 1.029 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.960 1.938 1.499 1.00 0.00 H new ATOM 828 N GLY A 54 -10.663 4.846 1.555 1.00 0.00 N ATOM 829 CA GLY A 54 -10.014 6.097 2.027 1.00 0.00 C ATOM 830 C GLY A 54 -8.595 5.726 2.431 1.00 0.00 C ATOM 831 O GLY A 54 -7.871 6.493 3.033 1.00 0.00 O ATOM 0 H GLY A 54 -10.359 4.529 0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.008 6.851 1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.558 6.521 2.871 1.00 0.00 H new ATOM 835 N ASP A 55 -8.209 4.525 2.093 1.00 0.00 N ATOM 836 CA ASP A 55 -6.850 4.034 2.436 1.00 0.00 C ATOM 837 C ASP A 55 -5.759 5.062 2.103 1.00 0.00 C ATOM 838 O ASP A 55 -5.745 5.652 1.051 1.00 0.00 O ATOM 839 CB ASP A 55 -6.684 2.786 1.572 1.00 0.00 C ATOM 840 CG ASP A 55 -5.195 2.496 1.349 1.00 0.00 C ATOM 841 OD1 ASP A 55 -4.415 2.759 2.249 1.00 0.00 O ATOM 842 OD2 ASP A 55 -4.863 2.022 0.275 1.00 0.00 O ATOM 0 H ASP A 55 -8.789 3.856 1.586 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.749 3.841 3.504 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.160 1.933 2.055 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.183 2.929 0.613 1.00 0.00 H new ATOM 847 N GLN A 56 -4.816 5.239 2.978 1.00 0.00 N ATOM 848 CA GLN A 56 -3.698 6.181 2.688 1.00 0.00 C ATOM 849 C GLN A 56 -2.401 5.390 2.615 1.00 0.00 C ATOM 850 O GLN A 56 -2.246 4.404 3.293 1.00 0.00 O ATOM 851 CB GLN A 56 -3.656 7.147 3.867 1.00 0.00 C ATOM 852 CG GLN A 56 -2.305 7.858 3.867 1.00 0.00 C ATOM 853 CD GLN A 56 -2.501 9.371 3.973 1.00 0.00 C ATOM 854 OE1 GLN A 56 -3.570 9.834 4.311 1.00 0.00 O ATOM 855 NE2 GLN A 56 -1.503 10.168 3.694 1.00 0.00 N ATOM 0 H GLN A 56 -4.768 4.773 3.884 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.831 6.712 1.746 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.465 7.873 3.790 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.799 6.608 4.803 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.700 7.504 4.702 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.760 7.618 2.954 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.604 9.779 3.410 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.623 11.179 3.761 1.00 0.00 H new ATOM 864 N ILE A 57 -1.474 5.784 1.792 1.00 0.00 N ATOM 865 CA ILE A 57 -0.215 4.998 1.720 1.00 0.00 C ATOM 866 C ILE A 57 1.035 5.867 1.539 1.00 0.00 C ATOM 867 O ILE A 57 1.045 6.823 0.789 1.00 0.00 O ATOM 868 CB ILE A 57 -0.373 4.129 0.494 1.00 0.00 C ATOM 869 CG1 ILE A 57 -1.484 3.109 0.697 1.00 0.00 C ATOM 870 CG2 ILE A 57 0.938 3.402 0.239 1.00 0.00 C ATOM 871 CD1 ILE A 57 -1.753 2.418 -0.636 1.00 0.00 C ATOM 0 H ILE A 57 -1.529 6.597 1.179 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.071 4.448 2.650 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.632 4.757 -0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.194 2.378 1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.388 3.599 1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.838 2.771 -0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.732 4.130 0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.185 2.783 1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.547 1.682 -0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.058 3.159 -1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -0.846 1.918 -0.976 1.00 0.00 H new ATOM 883 N LEU A 58 2.116 5.466 2.147 1.00 0.00 N ATOM 884 CA LEU A 58 3.405 6.177 1.938 1.00 0.00 C ATOM 885 C LEU A 58 4.275 5.215 1.131 1.00 0.00 C ATOM 886 O LEU A 58 4.131 4.020 1.257 1.00 0.00 O ATOM 887 CB LEU A 58 3.997 6.444 3.323 1.00 0.00 C ATOM 888 CG LEU A 58 4.987 7.614 3.251 1.00 0.00 C ATOM 889 CD1 LEU A 58 5.129 8.247 4.637 1.00 0.00 C ATOM 890 CD2 LEU A 58 6.357 7.111 2.786 1.00 0.00 C ATOM 0 H LEU A 58 2.161 4.671 2.784 1.00 0.00 H new ATOM 0 HA LEU A 58 3.314 7.127 1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.200 6.673 4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.502 5.551 3.690 1.00 0.00 H new ATOM 0 HG LEU A 58 4.614 8.353 2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.832 9.078 4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.158 8.613 4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.498 7.502 5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.054 7.947 2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.730 6.368 3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.263 6.659 1.798 1.00 0.00 H new ATOM 902 N LEU A 59 5.127 5.680 0.268 1.00 0.00 N ATOM 903 CA LEU A 59 5.915 4.702 -0.538 1.00 0.00 C ATOM 904 C LEU A 59 7.396 4.689 -0.157 1.00 0.00 C ATOM 905 O LEU A 59 8.011 5.714 0.051 1.00 0.00 O ATOM 906 CB LEU A 59 5.753 5.162 -1.985 1.00 0.00 C ATOM 907 CG LEU A 59 6.297 4.087 -2.931 1.00 0.00 C ATOM 908 CD1 LEU A 59 7.827 4.062 -2.859 1.00 0.00 C ATOM 909 CD2 LEU A 59 5.744 2.719 -2.523 1.00 0.00 C ATOM 0 H LEU A 59 5.313 6.666 0.085 1.00 0.00 H new ATOM 0 HA LEU A 59 5.557 3.687 -0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.702 5.352 -2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.285 6.100 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 59 5.988 4.315 -3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.211 3.296 -3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.221 5.035 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.140 3.837 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.131 1.954 -3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.051 2.492 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.656 2.735 -2.580 1.00 0.00 H new ATOM 921 N PHE A 60 7.975 3.517 -0.109 1.00 0.00 N ATOM 922 CA PHE A 60 9.427 3.397 0.205 1.00 0.00 C ATOM 923 C PHE A 60 10.123 2.681 -0.955 1.00 0.00 C ATOM 924 O PHE A 60 9.578 1.765 -1.545 1.00 0.00 O ATOM 925 CB PHE A 60 9.515 2.576 1.491 1.00 0.00 C ATOM 926 CG PHE A 60 9.013 3.406 2.651 1.00 0.00 C ATOM 927 CD1 PHE A 60 7.641 3.615 2.822 1.00 0.00 C ATOM 928 CD2 PHE A 60 9.923 3.969 3.551 1.00 0.00 C ATOM 929 CE1 PHE A 60 7.177 4.385 3.897 1.00 0.00 C ATOM 930 CE2 PHE A 60 9.461 4.740 4.625 1.00 0.00 C ATOM 931 CZ PHE A 60 8.087 4.948 4.798 1.00 0.00 C ATOM 0 H PHE A 60 7.498 2.631 -0.276 1.00 0.00 H new ATOM 0 HA PHE A 60 9.911 4.365 0.338 1.00 0.00 H new ATOM 0 HB2 PHE A 60 8.922 1.667 1.396 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.545 2.267 1.669 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.938 3.183 2.125 1.00 0.00 H new ATOM 0 HD2 PHE A 60 10.983 3.809 3.418 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.117 4.544 4.030 1.00 0.00 H new ATOM 0 HE2 PHE A 60 10.165 5.174 5.320 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.730 5.542 5.626 1.00 0.00 H new ATOM 941 N GLN A 61 11.308 3.111 -1.300 1.00 0.00 N ATOM 942 CA GLN A 61 12.033 2.495 -2.453 1.00 0.00 C ATOM 943 C GLN A 61 12.913 1.322 -2.006 1.00 0.00 C ATOM 944 O GLN A 61 13.419 1.292 -0.903 1.00 0.00 O ATOM 945 CB GLN A 61 12.905 3.631 -2.994 1.00 0.00 C ATOM 946 CG GLN A 61 13.455 3.259 -4.369 1.00 0.00 C ATOM 947 CD GLN A 61 13.512 4.513 -5.243 1.00 0.00 C ATOM 948 OE1 GLN A 61 14.113 5.500 -4.868 1.00 0.00 O ATOM 949 NE2 GLN A 61 12.897 4.523 -6.393 1.00 0.00 N ATOM 0 H GLN A 61 11.808 3.866 -0.831 1.00 0.00 H new ATOM 0 HA GLN A 61 11.345 2.089 -3.194 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.320 4.548 -3.063 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.727 3.829 -2.306 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.450 2.824 -4.271 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.822 2.504 -4.835 1.00 0.00 H new ATOM 0 HE21 GLN A 61 12.392 3.695 -6.709 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.921 5.359 -6.977 1.00 0.00 H new ATOM 958 N VAL A 62 13.093 0.357 -2.877 1.00 0.00 N ATOM 959 CA VAL A 62 13.937 -0.835 -2.551 1.00 0.00 C ATOM 960 C VAL A 62 15.126 -0.434 -1.668 1.00 0.00 C ATOM 961 O VAL A 62 15.729 0.605 -1.852 1.00 0.00 O ATOM 962 CB VAL A 62 14.412 -1.351 -3.915 1.00 0.00 C ATOM 963 CG1 VAL A 62 15.546 -0.469 -4.440 1.00 0.00 C ATOM 964 CG2 VAL A 62 14.914 -2.788 -3.775 1.00 0.00 C ATOM 0 H VAL A 62 12.685 0.346 -3.812 1.00 0.00 H new ATOM 0 HA VAL A 62 13.389 -1.594 -1.992 1.00 0.00 H new ATOM 0 HB VAL A 62 13.577 -1.321 -4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 62 15.878 -0.842 -5.409 1.00 0.00 H new ATOM 0 HG12 VAL A 62 15.190 0.556 -4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 62 16.379 -0.491 -3.738 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.251 -3.152 -4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 62 15.744 -2.816 -3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 62 14.106 -3.422 -3.410 1.00 0.00 H new ATOM 974 N ILE A 63 15.463 -1.258 -0.711 1.00 0.00 N ATOM 975 CA ILE A 63 16.607 -0.945 0.195 1.00 0.00 C ATOM 976 C ILE A 63 17.655 -2.045 0.091 1.00 0.00 C ATOM 977 O ILE A 63 17.539 -3.082 0.712 1.00 0.00 O ATOM 978 CB ILE A 63 16.026 -0.911 1.610 1.00 0.00 C ATOM 979 CG1 ILE A 63 14.954 -2.006 1.763 1.00 0.00 C ATOM 980 CG2 ILE A 63 15.423 0.469 1.891 1.00 0.00 C ATOM 981 CD1 ILE A 63 13.592 -1.504 1.267 1.00 0.00 C ATOM 0 H ILE A 63 14.991 -2.141 -0.517 1.00 0.00 H new ATOM 0 HA ILE A 63 17.083 0.001 -0.064 1.00 0.00 H new ATOM 0 HB ILE A 63 16.822 -1.099 2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 63 15.248 -2.891 1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 63 14.878 -2.304 2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 63 15.011 0.487 2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 63 16.198 1.230 1.802 1.00 0.00 H new ATOM 0 HG23 ILE A 63 14.630 0.673 1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 63 12.849 -2.293 1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 63 13.291 -0.633 1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.667 -1.229 0.215 1.00 0.00 H new ATOM 993 N ALA A 64 18.663 -1.841 -0.694 1.00 0.00 N ATOM 994 CA ALA A 64 19.697 -2.895 -0.838 1.00 0.00 C ATOM 995 C ALA A 64 21.089 -2.355 -0.492 1.00 0.00 C ATOM 996 O ALA A 64 21.317 -1.161 -0.460 1.00 0.00 O ATOM 997 CB ALA A 64 19.604 -3.300 -2.304 1.00 0.00 C ATOM 0 H ALA A 64 18.819 -0.995 -1.242 1.00 0.00 H new ATOM 0 HA ALA A 64 19.538 -3.736 -0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 64 20.335 -4.081 -2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 64 18.602 -3.674 -2.515 1.00 0.00 H new ATOM 0 HB3 ALA A 64 19.808 -2.434 -2.934 1.00 0.00 H new ATOM 1003 N GLY A 65 22.024 -3.230 -0.232 1.00 0.00 N ATOM 1004 CA GLY A 65 23.402 -2.772 0.108 1.00 0.00 C ATOM 1005 C GLY A 65 23.964 -1.981 -1.073 1.00 0.00 C ATOM 1006 O GLY A 65 24.418 -2.545 -2.051 1.00 0.00 O ATOM 0 H GLY A 65 21.893 -4.241 -0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 65 23.383 -2.151 1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 65 24.041 -3.628 0.327 1.00 0.00 H new ATOM 1010 N GLY A 66 23.930 -0.680 -0.998 1.00 0.00 N ATOM 1011 CA GLY A 66 24.451 0.143 -2.125 1.00 0.00 C ATOM 1012 C GLY A 66 23.465 0.078 -3.294 1.00 0.00 C ATOM 1013 O GLY A 66 23.302 1.085 -3.964 1.00 0.00 O ATOM 1014 OXT GLY A 66 22.890 -0.978 -3.498 1.00 0.00 O ATOM 0 H GLY A 66 23.564 -0.151 -0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 66 24.586 1.176 -1.805 1.00 0.00 H new ATOM 0 HA3 GLY A 66 25.429 -0.224 -2.437 1.00 0.00 H new TER 1018 GLY A 66