USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=5 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= -3.83! C(o=-10!,f=-13!) USER MOD Set 1.2: A 49 HIS : no HE2:sc= -6.48! C(o=-10!,f=-9.3!) USER MOD Set 2.1: A 29 GLN : amide:sc= -0.148 K(o=-0.15,f=-1) USER MOD Set 2.2: A 61 GLN : amide:sc= 0 K(o=-0.15,f=-1.3) USER MOD Set 3.1: A 1 MET CE :methyl -158:sc= -9.61! (180deg=-12.2!) USER MOD Set 3.2: A 12 CYS SG : rot 109:sc= -13.1! USER MOD Set 3.3: A 16 GLN : amide:sc= -8.2! C(o=-31!,f=-42!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -1.37 K(o=-1.4,f=-0.31) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 MET CE :methyl 145:sc= -13.6! (180deg=-19.7!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 17 THR OG1 : rot 129:sc= 1.22 USER MOD Single : A 19 HIS : no HD1:sc= -0.957 X(o=-0.96,f=-0.49) USER MOD Single : A 24 GLN : amide:sc= -1.81! C(o=-1.8!,f=-4.7!) USER MOD Single : A 27 GLN : amide:sc= -0.393 K(o=-0.39,f=-3.8!) USER MOD Single : A 37 ASN : amide:sc= -0.569 K(o=-0.57,f=-1.1) USER MOD Single : A 38 GLN : amide:sc= -3.35! C(o=-3.3!,f=-3.8!) USER MOD Single : A 45 GLN : amide:sc= -2.65 X(o=-2.6,f=-2.2) USER MOD Single : A 48 GLN : amide:sc=-0.000602 X(o=-0.0006,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.965 K(o=-0.97,f=-3.5!) USER MOD Single : A 56 GLN : amide:sc= -0.64 K(o=-0.64,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.574 3.176 2.183 1.00 0.00 N ATOM 2 CA MET A 1 13.246 3.082 1.511 1.00 0.00 C ATOM 3 C MET A 1 12.285 4.108 2.070 1.00 0.00 C ATOM 4 O MET A 1 12.310 4.435 3.239 1.00 0.00 O ATOM 5 CB MET A 1 12.703 1.708 1.861 1.00 0.00 C ATOM 6 CG MET A 1 11.889 1.149 0.703 1.00 0.00 C ATOM 7 SD MET A 1 10.299 1.998 0.586 1.00 0.00 S ATOM 8 CE MET A 1 9.513 0.772 -0.494 1.00 0.00 C ATOM 0 H1 MET A 1 15.217 2.463 1.783 1.00 0.00 H new ATOM 0 H2 MET A 1 14.973 4.125 2.032 1.00 0.00 H new ATOM 0 H3 MET A 1 14.460 3.006 3.203 1.00 0.00 H new ATOM 0 HA MET A 1 13.350 3.249 0.439 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.526 1.033 2.094 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.081 1.772 2.754 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.441 1.267 -0.229 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.729 0.080 0.845 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.680 1.234 -1.024 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.242 0.403 -1.216 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.144 -0.059 0.107 1.00 0.00 H new ATOM 20 N GLN A 2 11.406 4.577 1.256 1.00 0.00 N ATOM 21 CA GLN A 2 10.396 5.536 1.737 1.00 0.00 C ATOM 22 C GLN A 2 9.174 5.401 0.893 1.00 0.00 C ATOM 23 O GLN A 2 9.217 4.921 -0.219 1.00 0.00 O ATOM 24 CB GLN A 2 11.003 6.906 1.575 1.00 0.00 C ATOM 25 CG GLN A 2 9.925 7.971 1.775 1.00 0.00 C ATOM 26 CD GLN A 2 10.538 9.197 2.452 1.00 0.00 C ATOM 27 OE1 GLN A 2 11.563 9.693 2.029 1.00 0.00 O ATOM 28 NE2 GLN A 2 9.949 9.705 3.498 1.00 0.00 N ATOM 0 H GLN A 2 11.341 4.336 0.267 1.00 0.00 H new ATOM 0 HA GLN A 2 10.117 5.362 2.776 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.806 7.047 2.298 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.446 7.004 0.584 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.493 8.251 0.814 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.114 7.573 2.385 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.088 9.287 3.852 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.349 10.520 3.963 1.00 0.00 H new ATOM 37 N ILE A 3 8.070 5.759 1.417 1.00 0.00 N ATOM 38 CA ILE A 3 6.863 5.582 0.645 1.00 0.00 C ATOM 39 C ILE A 3 5.884 6.678 0.961 1.00 0.00 C ATOM 40 O ILE A 3 6.071 7.457 1.873 1.00 0.00 O ATOM 41 CB ILE A 3 6.324 4.234 1.120 1.00 0.00 C ATOM 42 CG1 ILE A 3 5.431 4.438 2.359 1.00 0.00 C ATOM 43 CG2 ILE A 3 7.501 3.300 1.474 1.00 0.00 C ATOM 44 CD1 ILE A 3 5.538 3.239 3.311 1.00 0.00 C ATOM 0 H ILE A 3 7.954 6.166 2.345 1.00 0.00 H new ATOM 0 HA ILE A 3 7.034 5.613 -0.431 1.00 0.00 H new ATOM 0 HB ILE A 3 5.733 3.782 0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.726 5.349 2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.395 4.570 2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.114 2.339 1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.124 3.150 0.592 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.097 3.751 2.267 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.899 3.405 4.178 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.219 2.334 2.794 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.572 3.125 3.638 1.00 0.00 H new ATOM 56 N LEU A 4 4.809 6.698 0.269 1.00 0.00 N ATOM 57 CA LEU A 4 3.795 7.689 0.602 1.00 0.00 C ATOM 58 C LEU A 4 2.504 6.961 0.873 1.00 0.00 C ATOM 59 O LEU A 4 1.880 6.428 -0.016 1.00 0.00 O ATOM 60 CB LEU A 4 3.649 8.605 -0.604 1.00 0.00 C ATOM 61 CG LEU A 4 2.654 9.710 -0.245 1.00 0.00 C ATOM 62 CD1 LEU A 4 1.257 9.120 -0.325 1.00 0.00 C ATOM 63 CD2 LEU A 4 2.929 10.204 1.179 1.00 0.00 C ATOM 0 H LEU A 4 4.589 6.075 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 4 4.063 8.275 1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.614 9.035 -0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.297 8.042 -1.469 1.00 0.00 H new ATOM 0 HG LEU A 4 2.750 10.552 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.524 9.886 -0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.072 8.759 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.171 8.291 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.220 10.991 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.819 9.376 1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 4 3.944 10.597 1.238 1.00 0.00 H new ATOM 75 N PHE A 5 2.092 6.933 2.089 1.00 0.00 N ATOM 76 CA PHE A 5 0.831 6.240 2.400 1.00 0.00 C ATOM 77 C PHE A 5 -0.236 7.301 2.698 1.00 0.00 C ATOM 78 O PHE A 5 -0.257 7.884 3.758 1.00 0.00 O ATOM 79 CB PHE A 5 1.169 5.414 3.645 1.00 0.00 C ATOM 80 CG PHE A 5 -0.086 4.890 4.298 1.00 0.00 C ATOM 81 CD1 PHE A 5 -0.799 5.695 5.196 1.00 0.00 C ATOM 82 CD2 PHE A 5 -0.521 3.590 4.026 1.00 0.00 C ATOM 83 CE1 PHE A 5 -1.950 5.199 5.817 1.00 0.00 C ATOM 84 CE2 PHE A 5 -1.669 3.092 4.651 1.00 0.00 C ATOM 85 CZ PHE A 5 -2.384 3.897 5.545 1.00 0.00 C ATOM 0 H PHE A 5 2.570 7.358 2.883 1.00 0.00 H new ATOM 0 HA PHE A 5 0.446 5.611 1.597 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.816 4.581 3.370 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.724 6.028 4.354 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.460 6.698 5.409 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.029 2.970 3.333 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.503 5.820 6.506 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.004 2.086 4.444 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.272 3.513 6.025 1.00 0.00 H new ATOM 95 N ASN A 6 -1.106 7.583 1.771 1.00 0.00 N ATOM 96 CA ASN A 6 -2.132 8.630 2.030 1.00 0.00 C ATOM 97 C ASN A 6 -1.443 9.964 2.292 1.00 0.00 C ATOM 98 O ASN A 6 -1.625 10.603 3.307 1.00 0.00 O ATOM 99 CB ASN A 6 -2.901 8.143 3.259 1.00 0.00 C ATOM 100 CG ASN A 6 -4.269 8.826 3.322 1.00 0.00 C ATOM 101 OD1 ASN A 6 -5.064 8.692 2.415 1.00 0.00 O ATOM 102 ND2 ASN A 6 -4.587 9.548 4.364 1.00 0.00 N ATOM 0 H ASN A 6 -1.152 7.139 0.854 1.00 0.00 H new ATOM 0 HA ASN A 6 -2.804 8.784 1.186 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -3.027 7.061 3.215 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.334 8.361 4.164 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -5.501 9.997 4.413 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -3.921 9.662 5.128 1.00 0.00 H new ATOM 109 N ASP A 7 -0.644 10.364 1.359 1.00 0.00 N ATOM 110 CA ASP A 7 0.103 11.644 1.478 1.00 0.00 C ATOM 111 C ASP A 7 0.922 11.641 2.766 1.00 0.00 C ATOM 112 O ASP A 7 1.339 12.669 3.261 1.00 0.00 O ATOM 113 CB ASP A 7 -0.955 12.715 1.496 1.00 0.00 C ATOM 114 CG ASP A 7 -0.318 14.078 1.227 1.00 0.00 C ATOM 115 OD1 ASP A 7 0.606 14.432 1.940 1.00 0.00 O ATOM 116 OD2 ASP A 7 -0.765 14.746 0.312 1.00 0.00 O ATOM 0 H ASP A 7 -0.469 9.849 0.496 1.00 0.00 H new ATOM 0 HA ASP A 7 0.807 11.804 0.661 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.713 12.503 0.742 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.460 12.724 2.462 1.00 0.00 H new ATOM 121 N GLN A 8 1.179 10.483 3.292 1.00 0.00 N ATOM 122 CA GLN A 8 2.001 10.397 4.526 1.00 0.00 C ATOM 123 C GLN A 8 3.321 9.725 4.171 1.00 0.00 C ATOM 124 O GLN A 8 3.344 8.624 3.669 1.00 0.00 O ATOM 125 CB GLN A 8 1.202 9.527 5.488 1.00 0.00 C ATOM 126 CG GLN A 8 -0.199 10.121 5.653 1.00 0.00 C ATOM 127 CD GLN A 8 -0.675 9.940 7.093 1.00 0.00 C ATOM 128 OE1 GLN A 8 -1.037 8.852 7.496 1.00 0.00 O ATOM 129 NE2 GLN A 8 -0.700 10.974 7.887 1.00 0.00 N ATOM 0 H GLN A 8 0.856 9.589 2.921 1.00 0.00 H new ATOM 0 HA GLN A 8 2.216 11.370 4.967 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.136 8.508 5.107 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.705 9.475 6.454 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.187 11.180 5.395 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.893 9.634 4.968 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.396 11.886 7.546 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.024 10.871 8.849 1.00 0.00 H new ATOM 138 N ALA A 9 4.419 10.374 4.385 1.00 0.00 N ATOM 139 CA ALA A 9 5.707 9.740 4.001 1.00 0.00 C ATOM 140 C ALA A 9 6.125 8.666 5.006 1.00 0.00 C ATOM 141 O ALA A 9 5.858 8.753 6.189 1.00 0.00 O ATOM 142 CB ALA A 9 6.717 10.874 3.970 1.00 0.00 C ATOM 0 H ALA A 9 4.487 11.302 4.802 1.00 0.00 H new ATOM 0 HA ALA A 9 5.630 9.234 3.039 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.696 10.482 3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.405 11.620 3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.777 11.335 4.956 1.00 0.00 H new ATOM 148 N MET A 10 6.759 7.639 4.519 1.00 0.00 N ATOM 149 CA MET A 10 7.192 6.509 5.406 1.00 0.00 C ATOM 150 C MET A 10 8.566 5.979 5.035 1.00 0.00 C ATOM 151 O MET A 10 9.197 6.427 4.109 1.00 0.00 O ATOM 152 CB MET A 10 6.239 5.379 5.086 1.00 0.00 C ATOM 153 CG MET A 10 5.893 4.584 6.337 1.00 0.00 C ATOM 154 SD MET A 10 4.463 5.332 7.149 1.00 0.00 S ATOM 155 CE MET A 10 3.355 5.233 5.728 1.00 0.00 C ATOM 0 H MET A 10 7.002 7.527 3.535 1.00 0.00 H new ATOM 0 HA MET A 10 7.206 6.848 6.442 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.328 5.782 4.644 1.00 0.00 H new ATOM 0 HB3 MET A 10 6.689 4.719 4.344 1.00 0.00 H new ATOM 0 HG2 MET A 10 5.675 3.549 6.074 1.00 0.00 H new ATOM 0 HG3 MET A 10 6.744 4.568 7.018 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.340 5.036 6.071 1.00 0.00 H new ATOM 0 HE2 MET A 10 3.377 6.177 5.183 1.00 0.00 H new ATOM 0 HE3 MET A 10 3.679 4.427 5.070 1.00 0.00 H new ATOM 165 N GLN A 11 8.960 4.940 5.719 1.00 0.00 N ATOM 166 CA GLN A 11 10.217 4.227 5.396 1.00 0.00 C ATOM 167 C GLN A 11 10.005 2.764 5.743 1.00 0.00 C ATOM 168 O GLN A 11 9.660 2.412 6.854 1.00 0.00 O ATOM 169 CB GLN A 11 11.358 4.789 6.227 1.00 0.00 C ATOM 170 CG GLN A 11 10.888 5.932 7.126 1.00 0.00 C ATOM 171 CD GLN A 11 12.046 6.361 8.032 1.00 0.00 C ATOM 172 OE1 GLN A 11 13.163 6.508 7.576 1.00 0.00 O ATOM 173 NE2 GLN A 11 11.830 6.565 9.303 1.00 0.00 N ATOM 0 H GLN A 11 8.445 4.550 6.508 1.00 0.00 H new ATOM 0 HA GLN A 11 10.469 4.346 4.342 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.788 3.996 6.840 1.00 0.00 H new ATOM 0 HB3 GLN A 11 12.149 5.146 5.567 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.552 6.774 6.520 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.037 5.612 7.728 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.893 6.442 9.687 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.598 6.847 9.912 1.00 0.00 H new ATOM 182 N CYS A 12 10.169 1.926 4.784 1.00 0.00 N ATOM 183 CA CYS A 12 9.942 0.465 5.008 1.00 0.00 C ATOM 184 C CYS A 12 10.957 -0.386 4.256 1.00 0.00 C ATOM 185 O CYS A 12 12.023 0.063 3.882 1.00 0.00 O ATOM 186 CB CYS A 12 8.546 0.210 4.455 1.00 0.00 C ATOM 187 SG CYS A 12 8.567 0.491 2.670 1.00 0.00 S ATOM 0 H CYS A 12 10.454 2.178 3.837 1.00 0.00 H new ATOM 0 HA CYS A 12 10.045 0.203 6.061 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.235 -0.812 4.673 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.824 0.872 4.933 1.00 0.00 H new ATOM 0 HG CYS A 12 8.461 -0.647 2.050 1.00 0.00 H new ATOM 193 N ALA A 13 10.629 -1.628 4.058 1.00 0.00 N ATOM 194 CA ALA A 13 11.550 -2.546 3.359 1.00 0.00 C ATOM 195 C ALA A 13 11.438 -2.405 1.847 1.00 0.00 C ATOM 196 O ALA A 13 10.464 -2.806 1.249 1.00 0.00 O ATOM 197 CB ALA A 13 11.104 -3.945 3.781 1.00 0.00 C ATOM 0 H ALA A 13 9.749 -2.048 4.357 1.00 0.00 H new ATOM 0 HA ALA A 13 12.588 -2.335 3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.741 -4.690 3.303 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.184 -4.041 4.864 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.069 -4.104 3.478 1.00 0.00 H new ATOM 203 N ALA A 14 12.424 -1.845 1.216 1.00 0.00 N ATOM 204 CA ALA A 14 12.346 -1.708 -0.262 1.00 0.00 C ATOM 205 C ALA A 14 12.239 -3.080 -0.907 1.00 0.00 C ATOM 206 O ALA A 14 12.913 -4.018 -0.531 1.00 0.00 O ATOM 207 CB ALA A 14 13.636 -1.037 -0.697 1.00 0.00 C ATOM 0 H ALA A 14 13.271 -1.480 1.650 1.00 0.00 H new ATOM 0 HA ALA A 14 11.473 -1.128 -0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.633 -0.911 -1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.718 -0.061 -0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.484 -1.657 -0.406 1.00 0.00 H new ATOM 213 N GLY A 15 11.396 -3.192 -1.877 1.00 0.00 N ATOM 214 CA GLY A 15 11.224 -4.485 -2.575 1.00 0.00 C ATOM 215 C GLY A 15 10.142 -5.305 -1.874 1.00 0.00 C ATOM 216 O GLY A 15 9.835 -6.412 -2.268 1.00 0.00 O ATOM 0 H GLY A 15 10.808 -2.434 -2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.948 -4.314 -3.616 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.165 -5.035 -2.581 1.00 0.00 H new ATOM 220 N GLN A 16 9.557 -4.766 -0.841 1.00 0.00 N ATOM 221 CA GLN A 16 8.485 -5.507 -0.116 1.00 0.00 C ATOM 222 C GLN A 16 7.109 -5.138 -0.703 1.00 0.00 C ATOM 223 O GLN A 16 6.797 -3.979 -0.862 1.00 0.00 O ATOM 224 CB GLN A 16 8.628 -5.042 1.339 1.00 0.00 C ATOM 225 CG GLN A 16 7.598 -3.958 1.677 1.00 0.00 C ATOM 226 CD GLN A 16 7.959 -3.314 3.014 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.411 -2.191 3.054 1.00 0.00 O ATOM 228 NE2 GLN A 16 7.780 -3.982 4.118 1.00 0.00 N ATOM 0 H GLN A 16 9.775 -3.843 -0.466 1.00 0.00 H new ATOM 0 HA GLN A 16 8.569 -6.590 -0.201 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.499 -5.892 2.010 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.634 -4.656 1.503 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.577 -3.203 0.891 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.600 -4.393 1.728 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.399 -4.928 4.086 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.020 -3.559 5.015 1.00 0.00 H new ATOM 237 N THR A 17 6.284 -6.095 -1.037 1.00 0.00 N ATOM 238 CA THR A 17 4.956 -5.737 -1.612 1.00 0.00 C ATOM 239 C THR A 17 4.179 -4.826 -0.684 1.00 0.00 C ATOM 240 O THR A 17 4.674 -4.279 0.279 1.00 0.00 O ATOM 241 CB THR A 17 4.126 -7.019 -1.732 1.00 0.00 C ATOM 242 OG1 THR A 17 3.530 -7.301 -0.471 1.00 0.00 O ATOM 243 CG2 THR A 17 4.977 -8.207 -2.142 1.00 0.00 C ATOM 0 H THR A 17 6.468 -7.093 -0.939 1.00 0.00 H new ATOM 0 HA THR A 17 5.126 -5.243 -2.568 1.00 0.00 H new ATOM 0 HB THR A 17 3.369 -6.860 -2.500 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.568 -7.446 -0.589 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.350 -9.096 -2.216 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.439 -8.007 -3.109 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.754 -8.372 -1.396 1.00 0.00 H new ATOM 251 N VAL A 18 2.931 -4.728 -0.984 1.00 0.00 N ATOM 252 CA VAL A 18 1.981 -3.936 -0.179 1.00 0.00 C ATOM 253 C VAL A 18 1.635 -4.736 1.035 1.00 0.00 C ATOM 254 O VAL A 18 1.831 -4.325 2.159 1.00 0.00 O ATOM 255 CB VAL A 18 0.785 -3.901 -1.055 1.00 0.00 C ATOM 256 CG1 VAL A 18 -0.318 -3.100 -0.402 1.00 0.00 C ATOM 257 CG2 VAL A 18 1.185 -3.331 -2.401 1.00 0.00 C ATOM 0 H VAL A 18 2.509 -5.185 -1.792 1.00 0.00 H new ATOM 0 HA VAL A 18 2.350 -2.956 0.124 1.00 0.00 H new ATOM 0 HB VAL A 18 0.396 -4.908 -1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.190 -3.082 -1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.587 -3.559 0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.026 -2.081 -0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.314 -3.299 -3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.575 -2.322 -2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.953 -3.961 -2.849 1.00 0.00 H new ATOM 267 N HIS A 19 1.174 -5.941 0.807 1.00 0.00 N ATOM 268 CA HIS A 19 0.884 -6.817 1.943 1.00 0.00 C ATOM 269 C HIS A 19 2.137 -6.772 2.798 1.00 0.00 C ATOM 270 O HIS A 19 2.109 -6.891 4.010 1.00 0.00 O ATOM 271 CB HIS A 19 0.697 -8.198 1.318 1.00 0.00 C ATOM 272 CG HIS A 19 0.118 -9.144 2.336 1.00 0.00 C ATOM 273 ND1 HIS A 19 -0.731 -10.180 1.980 1.00 0.00 N ATOM 274 CD2 HIS A 19 0.241 -9.215 3.704 1.00 0.00 C ATOM 275 CE1 HIS A 19 -1.086 -10.822 3.108 1.00 0.00 C ATOM 276 NE2 HIS A 19 -0.522 -10.275 4.188 1.00 0.00 N ATOM 0 H HIS A 19 0.993 -6.338 -0.115 1.00 0.00 H new ATOM 0 HA HIS A 19 0.014 -6.551 2.543 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.036 -8.130 0.454 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.654 -8.577 0.958 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.838 -8.550 4.310 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.747 -11.676 3.137 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.627 -10.570 5.159 1.00 0.00 H new ATOM 284 N GLU A 20 3.243 -6.524 2.131 1.00 0.00 N ATOM 285 CA GLU A 20 4.542 -6.403 2.858 1.00 0.00 C ATOM 286 C GLU A 20 4.704 -4.980 3.386 1.00 0.00 C ATOM 287 O GLU A 20 5.222 -4.764 4.463 1.00 0.00 O ATOM 288 CB GLU A 20 5.631 -6.717 1.831 1.00 0.00 C ATOM 289 CG GLU A 20 5.544 -8.184 1.399 1.00 0.00 C ATOM 290 CD GLU A 20 6.445 -9.042 2.292 1.00 0.00 C ATOM 291 OE1 GLU A 20 7.434 -8.522 2.780 1.00 0.00 O ATOM 292 OE2 GLU A 20 6.133 -10.209 2.468 1.00 0.00 O ATOM 0 H GLU A 20 3.298 -6.401 1.120 1.00 0.00 H new ATOM 0 HA GLU A 20 4.596 -7.081 3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.520 -6.068 0.963 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.613 -6.514 2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.513 -8.532 1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.848 -8.284 0.357 1.00 0.00 H new ATOM 299 N LEU A 21 4.256 -4.002 2.645 1.00 0.00 N ATOM 300 CA LEU A 21 4.385 -2.603 3.136 1.00 0.00 C ATOM 301 C LEU A 21 3.334 -2.369 4.219 1.00 0.00 C ATOM 302 O LEU A 21 3.644 -2.075 5.355 1.00 0.00 O ATOM 303 CB LEU A 21 4.111 -1.739 1.900 1.00 0.00 C ATOM 304 CG LEU A 21 4.506 -0.270 2.133 1.00 0.00 C ATOM 305 CD1 LEU A 21 3.347 0.491 2.767 1.00 0.00 C ATOM 306 CD2 LEU A 21 5.721 -0.181 3.052 1.00 0.00 C ATOM 0 H LEU A 21 3.812 -4.110 1.733 1.00 0.00 H new ATOM 0 HA LEU A 21 5.358 -2.375 3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.666 -2.134 1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.053 -1.795 1.644 1.00 0.00 H new ATOM 0 HG LEU A 21 4.752 0.172 1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.638 1.529 2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.482 0.455 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.091 0.034 3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.986 0.865 3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.485 -0.640 4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.561 -0.705 2.596 1.00 0.00 H new ATOM 318 N LEU A 22 2.091 -2.537 3.874 1.00 0.00 N ATOM 319 CA LEU A 22 1.000 -2.359 4.868 1.00 0.00 C ATOM 320 C LEU A 22 1.374 -3.051 6.166 1.00 0.00 C ATOM 321 O LEU A 22 1.352 -2.472 7.233 1.00 0.00 O ATOM 322 CB LEU A 22 -0.180 -3.082 4.230 1.00 0.00 C ATOM 323 CG LEU A 22 -0.816 -2.188 3.180 1.00 0.00 C ATOM 324 CD1 LEU A 22 -2.085 -2.857 2.664 1.00 0.00 C ATOM 325 CD2 LEU A 22 -1.163 -0.848 3.814 1.00 0.00 C ATOM 0 H LEU A 22 1.781 -2.793 2.936 1.00 0.00 H new ATOM 0 HA LEU A 22 0.795 -1.314 5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.154 -4.014 3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.914 -3.345 4.992 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.125 -2.029 2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.550 -2.223 1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.834 -3.822 2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.780 -3.006 3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.620 -0.199 3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.862 -1.004 4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.255 -0.379 4.194 1.00 0.00 H new ATOM 337 N GLU A 23 1.715 -4.294 6.065 1.00 0.00 N ATOM 338 CA GLU A 23 2.099 -5.063 7.286 1.00 0.00 C ATOM 339 C GLU A 23 3.188 -4.319 8.069 1.00 0.00 C ATOM 340 O GLU A 23 3.095 -4.155 9.270 1.00 0.00 O ATOM 341 CB GLU A 23 2.661 -6.374 6.754 1.00 0.00 C ATOM 342 CG GLU A 23 2.968 -7.315 7.920 1.00 0.00 C ATOM 343 CD GLU A 23 2.653 -8.752 7.504 1.00 0.00 C ATOM 344 OE1 GLU A 23 1.485 -9.101 7.494 1.00 0.00 O ATOM 345 OE2 GLU A 23 3.585 -9.478 7.201 1.00 0.00 O ATOM 0 H GLU A 23 1.747 -4.820 5.192 1.00 0.00 H new ATOM 0 HA GLU A 23 1.255 -5.206 7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.945 -6.840 6.077 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.567 -6.185 6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.016 -7.228 8.206 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.375 -7.038 8.792 1.00 0.00 H new ATOM 352 N GLN A 24 4.222 -3.868 7.402 1.00 0.00 N ATOM 353 CA GLN A 24 5.308 -3.139 8.124 1.00 0.00 C ATOM 354 C GLN A 24 4.713 -1.913 8.800 1.00 0.00 C ATOM 355 O GLN A 24 5.024 -1.589 9.930 1.00 0.00 O ATOM 356 CB GLN A 24 6.284 -2.714 7.027 1.00 0.00 C ATOM 357 CG GLN A 24 7.571 -2.175 7.655 1.00 0.00 C ATOM 358 CD GLN A 24 8.325 -3.310 8.348 1.00 0.00 C ATOM 359 OE1 GLN A 24 7.845 -3.881 9.307 1.00 0.00 O ATOM 360 NE2 GLN A 24 9.498 -3.665 7.899 1.00 0.00 N ATOM 0 H GLN A 24 4.360 -3.972 6.397 1.00 0.00 H new ATOM 0 HA GLN A 24 5.794 -3.743 8.890 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.512 -3.563 6.382 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.828 -1.949 6.399 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.200 -1.724 6.887 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.335 -1.391 8.374 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.902 -3.186 7.094 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.011 -4.421 8.353 1.00 0.00 H new ATOM 369 N LEU A 25 3.833 -1.249 8.112 1.00 0.00 N ATOM 370 CA LEU A 25 3.168 -0.059 8.691 1.00 0.00 C ATOM 371 C LEU A 25 2.225 -0.512 9.805 1.00 0.00 C ATOM 372 O LEU A 25 1.841 0.261 10.657 1.00 0.00 O ATOM 373 CB LEU A 25 2.407 0.553 7.518 1.00 0.00 C ATOM 374 CG LEU A 25 3.388 1.349 6.654 1.00 0.00 C ATOM 375 CD1 LEU A 25 4.130 0.425 5.703 1.00 0.00 C ATOM 376 CD2 LEU A 25 2.636 2.390 5.837 1.00 0.00 C ATOM 0 H LEU A 25 3.544 -1.484 7.162 1.00 0.00 H new ATOM 0 HA LEU A 25 3.855 0.661 9.135 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.933 -0.230 6.926 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.612 1.203 7.882 1.00 0.00 H new ATOM 0 HG LEU A 25 4.102 1.840 7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.823 1.008 5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.685 -0.317 6.276 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.415 -0.079 5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.342 2.952 5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.912 1.893 5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.115 3.072 6.508 1.00 0.00 H new ATOM 388 N ASP A 26 1.864 -1.778 9.784 1.00 0.00 N ATOM 389 CA ASP A 26 0.952 -2.375 10.811 1.00 0.00 C ATOM 390 C ASP A 26 -0.502 -2.129 10.424 1.00 0.00 C ATOM 391 O ASP A 26 -1.364 -1.976 11.267 1.00 0.00 O ATOM 392 CB ASP A 26 1.286 -1.688 12.130 1.00 0.00 C ATOM 393 CG ASP A 26 0.768 -2.533 13.294 1.00 0.00 C ATOM 394 OD1 ASP A 26 0.404 -3.672 13.056 1.00 0.00 O ATOM 395 OD2 ASP A 26 0.743 -2.027 14.404 1.00 0.00 O ATOM 0 H ASP A 26 2.176 -2.440 9.073 1.00 0.00 H new ATOM 0 HA ASP A 26 1.086 -3.454 10.890 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.364 -1.552 12.218 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.836 -0.696 12.159 1.00 0.00 H new ATOM 400 N GLN A 27 -0.779 -2.103 9.151 1.00 0.00 N ATOM 401 CA GLN A 27 -2.181 -1.879 8.704 1.00 0.00 C ATOM 402 C GLN A 27 -2.564 -2.966 7.701 1.00 0.00 C ATOM 403 O GLN A 27 -2.162 -2.926 6.557 1.00 0.00 O ATOM 404 CB GLN A 27 -2.199 -0.501 8.014 1.00 0.00 C ATOM 405 CG GLN A 27 -1.027 0.377 8.483 1.00 0.00 C ATOM 406 CD GLN A 27 -1.518 1.812 8.671 1.00 0.00 C ATOM 407 OE1 GLN A 27 -2.684 2.097 8.477 1.00 0.00 O ATOM 408 NE2 GLN A 27 -0.674 2.730 9.046 1.00 0.00 N ATOM 0 H GLN A 27 -0.097 -2.227 8.402 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.884 -1.912 9.536 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.147 -0.633 6.933 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.142 0.003 8.229 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.621 -0.007 9.419 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.220 0.349 7.751 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.304 2.488 9.208 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.991 3.691 9.178 1.00 0.00 H new ATOM 417 N ARG A 28 -3.336 -3.937 8.105 1.00 0.00 N ATOM 418 CA ARG A 28 -3.719 -5.008 7.143 1.00 0.00 C ATOM 419 C ARG A 28 -4.530 -4.403 5.995 1.00 0.00 C ATOM 420 O ARG A 28 -4.194 -4.552 4.838 1.00 0.00 O ATOM 421 CB ARG A 28 -4.547 -6.001 7.958 1.00 0.00 C ATOM 422 CG ARG A 28 -3.602 -6.893 8.768 1.00 0.00 C ATOM 423 CD ARG A 28 -3.415 -6.298 10.166 1.00 0.00 C ATOM 424 NE ARG A 28 -3.781 -7.399 11.107 1.00 0.00 N ATOM 425 CZ ARG A 28 -3.859 -7.170 12.394 1.00 0.00 C ATOM 426 NH1 ARG A 28 -2.859 -6.612 13.020 1.00 0.00 N ATOM 427 NH2 ARG A 28 -4.933 -7.508 13.058 1.00 0.00 N ATOM 0 H ARG A 28 -3.714 -4.035 9.047 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.858 -5.499 6.690 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.225 -5.468 8.625 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.164 -6.609 7.296 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.010 -7.901 8.841 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.639 -6.974 8.264 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.387 -5.971 10.322 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.052 -5.426 10.312 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.971 -8.334 10.745 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.016 -6.354 12.507 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.920 -6.434 14.022 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.713 -7.952 12.574 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.991 -7.328 14.060 1.00 0.00 H new ATOM 441 N GLN A 29 -5.588 -3.713 6.311 1.00 0.00 N ATOM 442 CA GLN A 29 -6.423 -3.078 5.260 1.00 0.00 C ATOM 443 C GLN A 29 -6.968 -4.156 4.335 1.00 0.00 C ATOM 444 O GLN A 29 -7.022 -4.002 3.131 1.00 0.00 O ATOM 445 CB GLN A 29 -5.473 -2.132 4.521 1.00 0.00 C ATOM 446 CG GLN A 29 -4.895 -1.115 5.508 1.00 0.00 C ATOM 447 CD GLN A 29 -6.037 -0.315 6.142 1.00 0.00 C ATOM 448 OE1 GLN A 29 -6.664 0.490 5.483 1.00 0.00 O ATOM 449 NE2 GLN A 29 -6.341 -0.508 7.397 1.00 0.00 N ATOM 0 H GLN A 29 -5.913 -3.561 7.266 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.282 -2.538 5.659 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.668 -2.700 4.054 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.005 -1.617 3.721 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.322 -1.627 6.281 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.207 -0.443 4.994 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.815 -1.184 7.951 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.105 0.017 7.823 1.00 0.00 H new ATOM 458 N ALA A 30 -7.374 -5.252 4.902 1.00 0.00 N ATOM 459 CA ALA A 30 -7.920 -6.354 4.079 1.00 0.00 C ATOM 460 C ALA A 30 -9.159 -5.871 3.325 1.00 0.00 C ATOM 461 O ALA A 30 -9.343 -6.153 2.157 1.00 0.00 O ATOM 462 CB ALA A 30 -8.277 -7.433 5.092 1.00 0.00 C ATOM 0 H ALA A 30 -7.350 -5.431 5.906 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.221 -6.718 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.693 -8.296 4.573 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.381 -7.733 5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.014 -7.043 5.795 1.00 0.00 H new ATOM 468 N GLY A 31 -10.004 -5.132 3.988 1.00 0.00 N ATOM 469 CA GLY A 31 -11.229 -4.611 3.321 1.00 0.00 C ATOM 470 C GLY A 31 -10.915 -3.258 2.686 1.00 0.00 C ATOM 471 O GLY A 31 -11.796 -2.468 2.410 1.00 0.00 O ATOM 0 H GLY A 31 -9.898 -4.866 4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.571 -5.313 2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.037 -4.508 4.046 1.00 0.00 H new ATOM 475 N ALA A 32 -9.660 -2.978 2.465 1.00 0.00 N ATOM 476 CA ALA A 32 -9.286 -1.668 1.861 1.00 0.00 C ATOM 477 C ALA A 32 -8.673 -1.852 0.469 1.00 0.00 C ATOM 478 O ALA A 32 -8.396 -2.951 0.027 1.00 0.00 O ATOM 479 CB ALA A 32 -8.220 -1.085 2.785 1.00 0.00 C ATOM 0 H ALA A 32 -8.878 -3.599 2.676 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.163 -1.029 1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.896 -0.117 2.402 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.635 -0.959 3.785 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.367 -1.762 2.829 1.00 0.00 H new ATOM 485 N ALA A 33 -8.431 -0.760 -0.198 1.00 0.00 N ATOM 486 CA ALA A 33 -7.799 -0.795 -1.544 1.00 0.00 C ATOM 487 C ALA A 33 -6.846 0.397 -1.636 1.00 0.00 C ATOM 488 O ALA A 33 -6.994 1.360 -0.910 1.00 0.00 O ATOM 489 CB ALA A 33 -8.954 -0.667 -2.523 1.00 0.00 C ATOM 0 H ALA A 33 -8.650 0.176 0.142 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.226 -1.700 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.570 -0.684 -3.543 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.645 -1.498 -2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.477 0.273 -2.348 1.00 0.00 H new ATOM 495 N LEU A 34 -5.843 0.345 -2.466 1.00 0.00 N ATOM 496 CA LEU A 34 -4.897 1.493 -2.494 1.00 0.00 C ATOM 497 C LEU A 34 -4.375 1.794 -3.908 1.00 0.00 C ATOM 498 O LEU A 34 -4.318 0.927 -4.759 1.00 0.00 O ATOM 499 CB LEU A 34 -3.773 1.059 -1.530 1.00 0.00 C ATOM 500 CG LEU A 34 -2.425 0.933 -2.248 1.00 0.00 C ATOM 501 CD1 LEU A 34 -1.312 0.774 -1.211 1.00 0.00 C ATOM 502 CD2 LEU A 34 -2.447 -0.292 -3.157 1.00 0.00 C ATOM 0 H LEU A 34 -5.640 -0.420 -3.110 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.369 2.428 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.688 1.785 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.033 0.103 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.245 1.827 -2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.352 0.684 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.297 1.646 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.493 -0.122 -0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.489 -0.383 -3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.625 -1.186 -2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.243 -0.184 -3.894 1.00 0.00 H new ATOM 514 N ALA A 35 -3.969 3.022 -4.158 1.00 0.00 N ATOM 515 CA ALA A 35 -3.435 3.351 -5.508 1.00 0.00 C ATOM 516 C ALA A 35 -1.967 3.733 -5.393 1.00 0.00 C ATOM 517 O ALA A 35 -1.620 4.724 -4.786 1.00 0.00 O ATOM 518 CB ALA A 35 -4.260 4.537 -6.019 1.00 0.00 C ATOM 0 H ALA A 35 -3.987 3.794 -3.492 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.506 2.505 -6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.910 4.823 -7.011 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.311 4.253 -6.073 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.146 5.380 -5.337 1.00 0.00 H new ATOM 524 N ILE A 36 -1.096 2.957 -5.968 1.00 0.00 N ATOM 525 CA ILE A 36 0.347 3.303 -5.869 1.00 0.00 C ATOM 526 C ILE A 36 0.844 3.881 -7.194 1.00 0.00 C ATOM 527 O ILE A 36 0.551 3.370 -8.251 1.00 0.00 O ATOM 528 CB ILE A 36 1.074 1.997 -5.555 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.462 1.360 -4.307 1.00 0.00 C ATOM 530 CG2 ILE A 36 2.553 2.294 -5.300 1.00 0.00 C ATOM 531 CD1 ILE A 36 1.326 0.179 -3.861 1.00 0.00 C ATOM 0 H ILE A 36 -1.314 2.111 -6.494 1.00 0.00 H new ATOM 0 HA ILE A 36 0.526 4.054 -5.099 1.00 0.00 H new ATOM 0 HB ILE A 36 0.976 1.312 -6.397 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.393 2.097 -3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.553 1.023 -4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.077 1.365 -5.075 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.990 2.752 -6.187 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.647 2.977 -4.456 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.890 -0.275 -2.971 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.372 -0.560 -4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.332 0.530 -3.633 1.00 0.00 H new ATOM 543 N ASN A 37 1.584 4.948 -7.149 1.00 0.00 N ATOM 544 CA ASN A 37 2.082 5.550 -8.416 1.00 0.00 C ATOM 545 C ASN A 37 0.890 5.877 -9.323 1.00 0.00 C ATOM 546 O ASN A 37 0.990 5.840 -10.530 1.00 0.00 O ATOM 547 CB ASN A 37 2.981 4.483 -9.057 1.00 0.00 C ATOM 548 CG ASN A 37 4.229 4.259 -8.195 1.00 0.00 C ATOM 549 OD1 ASN A 37 4.581 3.135 -7.895 1.00 0.00 O ATOM 550 ND2 ASN A 37 4.918 5.287 -7.782 1.00 0.00 N ATOM 0 H ASN A 37 1.866 5.429 -6.295 1.00 0.00 H new ATOM 0 HA ASN A 37 2.632 6.476 -8.251 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.430 3.548 -9.163 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.273 4.797 -10.059 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.750 5.146 -7.209 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.625 6.231 -8.032 1.00 0.00 H new ATOM 557 N GLN A 38 -0.227 6.203 -8.719 1.00 0.00 N ATOM 558 CA GLN A 38 -1.478 6.562 -9.470 1.00 0.00 C ATOM 559 C GLN A 38 -2.157 5.323 -10.063 1.00 0.00 C ATOM 560 O GLN A 38 -3.096 5.434 -10.825 1.00 0.00 O ATOM 561 CB GLN A 38 -1.055 7.558 -10.568 1.00 0.00 C ATOM 562 CG GLN A 38 -0.865 6.848 -11.916 1.00 0.00 C ATOM 563 CD GLN A 38 -2.158 6.949 -12.722 1.00 0.00 C ATOM 564 OE1 GLN A 38 -2.684 5.953 -13.176 1.00 0.00 O ATOM 565 NE2 GLN A 38 -2.696 8.119 -12.918 1.00 0.00 N ATOM 0 H GLN A 38 -0.329 6.237 -7.705 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.216 7.008 -8.804 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.811 8.337 -10.667 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.126 8.050 -10.279 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.042 7.303 -12.467 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.602 5.802 -11.756 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.253 8.955 -12.536 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.560 8.200 -13.453 1.00 0.00 H new ATOM 574 N GLN A 39 -1.722 4.150 -9.711 1.00 0.00 N ATOM 575 CA GLN A 39 -2.397 2.944 -10.257 1.00 0.00 C ATOM 576 C GLN A 39 -3.194 2.267 -9.144 1.00 0.00 C ATOM 577 O GLN A 39 -2.645 1.704 -8.220 1.00 0.00 O ATOM 578 CB GLN A 39 -1.285 2.031 -10.798 1.00 0.00 C ATOM 579 CG GLN A 39 -0.502 1.379 -9.657 1.00 0.00 C ATOM 580 CD GLN A 39 0.995 1.495 -9.943 1.00 0.00 C ATOM 581 OE1 GLN A 39 1.403 2.231 -10.820 1.00 0.00 O ATOM 582 NE2 GLN A 39 1.835 0.793 -9.236 1.00 0.00 N ATOM 0 H GLN A 39 -0.941 3.974 -9.079 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.100 3.186 -11.054 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.721 1.259 -11.432 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.606 2.611 -11.424 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -0.742 1.865 -8.711 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.785 0.331 -9.558 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.491 0.176 -8.500 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.836 0.861 -9.418 1.00 0.00 H new ATOM 591 N ILE A 40 -4.495 2.323 -9.206 1.00 0.00 N ATOM 592 CA ILE A 40 -5.288 1.679 -8.121 1.00 0.00 C ATOM 593 C ILE A 40 -5.193 0.168 -8.273 1.00 0.00 C ATOM 594 O ILE A 40 -5.839 -0.435 -9.110 1.00 0.00 O ATOM 595 CB ILE A 40 -6.744 2.149 -8.291 1.00 0.00 C ATOM 596 CG1 ILE A 40 -6.929 3.506 -7.611 1.00 0.00 C ATOM 597 CG2 ILE A 40 -7.697 1.145 -7.623 1.00 0.00 C ATOM 598 CD1 ILE A 40 -6.621 4.631 -8.598 1.00 0.00 C ATOM 0 H ILE A 40 -5.035 2.776 -9.943 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.918 1.948 -7.132 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.964 2.225 -9.356 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.951 3.602 -7.245 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.272 3.581 -6.745 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.726 1.483 -7.746 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.578 0.166 -8.087 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.464 1.073 -6.561 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.755 5.594 -8.105 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.591 4.540 -8.943 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.297 4.562 -9.451 1.00 0.00 H new ATOM 610 N VAL A 41 -4.386 -0.442 -7.461 1.00 0.00 N ATOM 611 CA VAL A 41 -4.234 -1.909 -7.540 1.00 0.00 C ATOM 612 C VAL A 41 -5.258 -2.580 -6.675 1.00 0.00 C ATOM 613 O VAL A 41 -5.636 -2.066 -5.642 1.00 0.00 O ATOM 614 CB VAL A 41 -2.876 -2.215 -6.956 1.00 0.00 C ATOM 615 CG1 VAL A 41 -2.640 -3.723 -7.021 1.00 0.00 C ATOM 616 CG2 VAL A 41 -1.811 -1.480 -7.756 1.00 0.00 C ATOM 0 H VAL A 41 -3.824 0.016 -6.744 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.349 -2.255 -8.567 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.827 -1.888 -5.918 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.661 -3.957 -6.602 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.412 -4.237 -6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.678 -4.053 -8.059 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.828 -1.697 -7.339 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.845 -1.808 -8.795 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.996 -0.407 -7.709 1.00 0.00 H new ATOM 626 N PRO A 42 -5.642 -3.731 -7.094 1.00 0.00 N ATOM 627 CA PRO A 42 -6.581 -4.495 -6.302 1.00 0.00 C ATOM 628 C PRO A 42 -5.861 -5.188 -5.163 1.00 0.00 C ATOM 629 O PRO A 42 -4.902 -5.908 -5.346 1.00 0.00 O ATOM 630 CB PRO A 42 -7.174 -5.466 -7.275 1.00 0.00 C ATOM 631 CG PRO A 42 -6.181 -5.607 -8.389 1.00 0.00 C ATOM 632 CD PRO A 42 -5.250 -4.423 -8.325 1.00 0.00 C ATOM 0 HA PRO A 42 -7.351 -3.884 -5.831 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.362 -6.428 -6.798 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.131 -5.104 -7.651 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.623 -6.538 -8.289 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.689 -5.642 -9.353 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.207 -4.737 -8.292 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.362 -3.780 -9.198 1.00 0.00 H new ATOM 640 N ARG A 43 -6.335 -4.930 -3.995 1.00 0.00 N ATOM 641 CA ARG A 43 -5.743 -5.509 -2.743 1.00 0.00 C ATOM 642 C ARG A 43 -5.014 -6.821 -2.991 1.00 0.00 C ATOM 643 O ARG A 43 -3.849 -6.966 -2.690 1.00 0.00 O ATOM 644 CB ARG A 43 -6.926 -5.764 -1.805 1.00 0.00 C ATOM 645 CG ARG A 43 -8.140 -6.292 -2.573 1.00 0.00 C ATOM 646 CD ARG A 43 -9.355 -5.424 -2.238 1.00 0.00 C ATOM 647 NE ARG A 43 -10.119 -5.317 -3.508 1.00 0.00 N ATOM 648 CZ ARG A 43 -11.372 -5.676 -3.541 1.00 0.00 C ATOM 649 NH1 ARG A 43 -11.691 -6.940 -3.445 1.00 0.00 N ATOM 650 NH2 ARG A 43 -12.302 -4.769 -3.671 1.00 0.00 N ATOM 0 H ARG A 43 -7.137 -4.321 -3.833 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.006 -4.820 -2.331 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.637 -6.483 -1.039 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.191 -4.840 -1.291 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.946 -6.271 -3.645 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.333 -7.331 -2.305 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.959 -5.878 -1.452 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.050 -4.441 -1.878 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.665 -4.964 -4.351 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.960 -7.644 -3.344 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.671 -7.222 -3.471 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.047 -3.784 -3.746 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.284 -5.045 -3.697 1.00 0.00 H new ATOM 664 N GLU A 44 -5.706 -7.778 -3.511 1.00 0.00 N ATOM 665 CA GLU A 44 -5.099 -9.103 -3.773 1.00 0.00 C ATOM 666 C GLU A 44 -3.647 -8.963 -4.253 1.00 0.00 C ATOM 667 O GLU A 44 -2.769 -9.683 -3.820 1.00 0.00 O ATOM 668 CB GLU A 44 -6.020 -9.665 -4.845 1.00 0.00 C ATOM 669 CG GLU A 44 -5.253 -10.582 -5.802 1.00 0.00 C ATOM 670 CD GLU A 44 -4.785 -11.835 -5.059 1.00 0.00 C ATOM 671 OE1 GLU A 44 -4.181 -11.689 -4.010 1.00 0.00 O ATOM 672 OE2 GLU A 44 -5.040 -12.921 -5.555 1.00 0.00 O ATOM 0 H GLU A 44 -6.689 -7.700 -3.773 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.026 -9.746 -2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.833 -10.220 -4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.474 -8.847 -5.405 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.891 -10.863 -6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.395 -10.053 -6.217 1.00 0.00 H new ATOM 679 N GLN A 45 -3.390 -8.048 -5.139 1.00 0.00 N ATOM 680 CA GLN A 45 -1.996 -7.864 -5.643 1.00 0.00 C ATOM 681 C GLN A 45 -1.058 -7.406 -4.532 1.00 0.00 C ATOM 682 O GLN A 45 0.114 -7.713 -4.548 1.00 0.00 O ATOM 683 CB GLN A 45 -2.091 -6.788 -6.718 1.00 0.00 C ATOM 684 CG GLN A 45 -2.796 -7.350 -7.951 1.00 0.00 C ATOM 685 CD GLN A 45 -2.453 -6.483 -9.164 1.00 0.00 C ATOM 686 OE1 GLN A 45 -1.313 -6.105 -9.351 1.00 0.00 O ATOM 687 NE2 GLN A 45 -3.397 -6.148 -9.999 1.00 0.00 N ATOM 0 H GLN A 45 -4.083 -7.416 -5.540 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.592 -8.801 -6.026 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.638 -5.926 -6.336 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.094 -6.439 -6.985 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.485 -8.380 -8.125 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.874 -7.365 -7.793 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.353 -6.466 -9.842 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.179 -5.568 -10.810 1.00 0.00 H new ATOM 696 N TRP A 46 -1.550 -6.662 -3.581 1.00 0.00 N ATOM 697 CA TRP A 46 -0.678 -6.184 -2.486 1.00 0.00 C ATOM 698 C TRP A 46 0.326 -7.261 -2.080 1.00 0.00 C ATOM 699 O TRP A 46 1.425 -6.974 -1.652 1.00 0.00 O ATOM 700 CB TRP A 46 -1.633 -5.934 -1.322 1.00 0.00 C ATOM 701 CG TRP A 46 -2.501 -4.755 -1.596 1.00 0.00 C ATOM 702 CD1 TRP A 46 -2.621 -4.125 -2.786 1.00 0.00 C ATOM 703 CD2 TRP A 46 -3.382 -4.060 -0.672 1.00 0.00 C ATOM 704 NE1 TRP A 46 -3.518 -3.081 -2.646 1.00 0.00 N ATOM 705 CE2 TRP A 46 -4.013 -3.001 -1.358 1.00 0.00 C ATOM 706 CE3 TRP A 46 -3.689 -4.247 0.685 1.00 0.00 C ATOM 707 CZ2 TRP A 46 -4.916 -2.154 -0.720 1.00 0.00 C ATOM 708 CZ3 TRP A 46 -4.602 -3.397 1.333 1.00 0.00 C ATOM 709 CH2 TRP A 46 -5.214 -2.349 0.626 1.00 0.00 C ATOM 0 H TRP A 46 -2.524 -6.366 -3.520 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.109 -5.302 -2.780 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.251 -6.816 -1.157 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.064 -5.768 -0.407 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.103 -4.392 -3.695 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -3.782 -2.448 -3.401 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.220 -5.050 1.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.383 -1.349 -1.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.833 -3.550 2.377 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.914 -1.696 1.125 1.00 0.00 H new ATOM 720 N ALA A 47 -0.062 -8.492 -2.189 1.00 0.00 N ATOM 721 CA ALA A 47 0.838 -9.605 -1.787 1.00 0.00 C ATOM 722 C ALA A 47 1.890 -9.891 -2.862 1.00 0.00 C ATOM 723 O ALA A 47 2.940 -10.438 -2.586 1.00 0.00 O ATOM 724 CB ALA A 47 -0.113 -10.777 -1.639 1.00 0.00 C ATOM 0 H ALA A 47 -0.974 -8.782 -2.543 1.00 0.00 H new ATOM 0 HA ALA A 47 1.403 -9.386 -0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.446 -11.664 -1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.859 -10.546 -0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.611 -10.964 -2.591 1.00 0.00 H new ATOM 730 N GLN A 48 1.628 -9.512 -4.077 1.00 0.00 N ATOM 731 CA GLN A 48 2.621 -9.746 -5.161 1.00 0.00 C ATOM 732 C GLN A 48 3.026 -8.398 -5.751 1.00 0.00 C ATOM 733 O GLN A 48 3.789 -8.310 -6.693 1.00 0.00 O ATOM 734 CB GLN A 48 1.884 -10.600 -6.197 1.00 0.00 C ATOM 735 CG GLN A 48 1.438 -11.916 -5.552 1.00 0.00 C ATOM 736 CD GLN A 48 0.822 -12.823 -6.621 1.00 0.00 C ATOM 737 OE1 GLN A 48 -0.353 -13.126 -6.573 1.00 0.00 O ATOM 738 NE2 GLN A 48 1.572 -13.272 -7.591 1.00 0.00 N ATOM 0 H GLN A 48 0.767 -9.049 -4.369 1.00 0.00 H new ATOM 0 HA GLN A 48 3.528 -10.242 -4.817 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.019 -10.059 -6.580 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.536 -10.802 -7.047 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.289 -12.412 -5.085 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.712 -11.719 -4.763 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.559 -13.018 -7.632 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.171 -13.877 -8.308 1.00 0.00 H new ATOM 747 N HIS A 49 2.497 -7.347 -5.189 1.00 0.00 N ATOM 748 CA HIS A 49 2.800 -5.981 -5.675 1.00 0.00 C ATOM 749 C HIS A 49 3.995 -5.394 -4.920 1.00 0.00 C ATOM 750 O HIS A 49 3.843 -4.589 -4.026 1.00 0.00 O ATOM 751 CB HIS A 49 1.524 -5.215 -5.366 1.00 0.00 C ATOM 752 CG HIS A 49 1.588 -3.859 -6.005 1.00 0.00 C ATOM 753 ND1 HIS A 49 1.140 -3.629 -7.296 1.00 0.00 N ATOM 754 CD2 HIS A 49 2.046 -2.651 -5.545 1.00 0.00 C ATOM 755 CE1 HIS A 49 1.334 -2.325 -7.566 1.00 0.00 C ATOM 756 NE2 HIS A 49 1.887 -1.682 -6.532 1.00 0.00 N ATOM 0 H HIS A 49 1.855 -7.383 -4.397 1.00 0.00 H new ATOM 0 HA HIS A 49 3.071 -5.945 -6.730 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.659 -5.764 -5.738 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.399 -5.115 -4.288 1.00 0.00 H new ATOM 0 HD1 HIS A 49 0.737 -4.322 -7.927 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.466 -2.478 -4.565 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.075 -1.855 -8.503 1.00 0.00 H new ATOM 764 N ILE A 50 5.179 -5.804 -5.287 1.00 0.00 N ATOM 765 CA ILE A 50 6.418 -5.315 -4.616 1.00 0.00 C ATOM 766 C ILE A 50 6.501 -3.788 -4.603 1.00 0.00 C ATOM 767 O ILE A 50 6.330 -3.116 -5.602 1.00 0.00 O ATOM 768 CB ILE A 50 7.568 -5.906 -5.424 1.00 0.00 C ATOM 769 CG1 ILE A 50 7.484 -7.433 -5.367 1.00 0.00 C ATOM 770 CG2 ILE A 50 8.890 -5.441 -4.815 1.00 0.00 C ATOM 771 CD1 ILE A 50 7.842 -7.912 -3.963 1.00 0.00 C ATOM 0 H ILE A 50 5.343 -6.472 -6.040 1.00 0.00 H new ATOM 0 HA ILE A 50 6.442 -5.620 -3.570 1.00 0.00 H new ATOM 0 HB ILE A 50 7.508 -5.577 -6.462 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.479 -7.762 -5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.164 -7.872 -6.097 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.720 -5.858 -5.385 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.941 -4.353 -4.843 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.954 -5.780 -3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.782 -9.000 -3.923 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.856 -7.595 -3.718 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.144 -7.484 -3.243 1.00 0.00 H new ATOM 783 N VAL A 51 6.759 -3.263 -3.443 1.00 0.00 N ATOM 784 CA VAL A 51 6.864 -1.788 -3.239 1.00 0.00 C ATOM 785 C VAL A 51 8.338 -1.370 -3.283 1.00 0.00 C ATOM 786 O VAL A 51 9.210 -2.132 -2.916 1.00 0.00 O ATOM 787 CB VAL A 51 6.270 -1.581 -1.845 1.00 0.00 C ATOM 788 CG1 VAL A 51 6.034 -0.099 -1.586 1.00 0.00 C ATOM 789 CG2 VAL A 51 4.939 -2.337 -1.752 1.00 0.00 C ATOM 0 H VAL A 51 6.907 -3.812 -2.596 1.00 0.00 H new ATOM 0 HA VAL A 51 6.352 -1.197 -3.999 1.00 0.00 H new ATOM 0 HB VAL A 51 6.967 -1.960 -1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.611 0.033 -0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.981 0.437 -1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.341 0.295 -2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.508 -2.195 -0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.250 -1.955 -2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.111 -3.400 -1.924 1.00 0.00 H new ATOM 799 N GLN A 52 8.638 -0.191 -3.758 1.00 0.00 N ATOM 800 CA GLN A 52 10.074 0.208 -3.841 1.00 0.00 C ATOM 801 C GLN A 52 10.396 1.490 -3.078 1.00 0.00 C ATOM 802 O GLN A 52 9.559 2.338 -2.846 1.00 0.00 O ATOM 803 CB GLN A 52 10.323 0.480 -5.310 1.00 0.00 C ATOM 804 CG GLN A 52 10.098 -0.793 -6.131 1.00 0.00 C ATOM 805 CD GLN A 52 8.728 -0.725 -6.807 1.00 0.00 C ATOM 806 OE1 GLN A 52 8.162 0.339 -6.953 1.00 0.00 O ATOM 807 NE2 GLN A 52 8.168 -1.825 -7.230 1.00 0.00 N ATOM 0 H GLN A 52 7.966 0.502 -4.087 1.00 0.00 H new ATOM 0 HA GLN A 52 10.689 -0.580 -3.407 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.656 1.269 -5.659 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.343 0.838 -5.453 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.881 -0.898 -6.882 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.155 -1.670 -5.486 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.643 -2.719 -7.107 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.255 -1.791 -7.683 1.00 0.00 H new ATOM 816 N ASP A 53 11.643 1.630 -2.736 1.00 0.00 N ATOM 817 CA ASP A 53 12.124 2.846 -2.033 1.00 0.00 C ATOM 818 C ASP A 53 11.599 4.099 -2.708 1.00 0.00 C ATOM 819 O ASP A 53 12.051 4.512 -3.757 1.00 0.00 O ATOM 820 CB ASP A 53 13.623 2.781 -2.165 1.00 0.00 C ATOM 821 CG ASP A 53 14.236 4.101 -1.703 1.00 0.00 C ATOM 822 OD1 ASP A 53 13.548 4.845 -1.023 1.00 0.00 O ATOM 823 OD2 ASP A 53 15.383 4.346 -2.035 1.00 0.00 O ATOM 0 H ASP A 53 12.366 0.934 -2.919 1.00 0.00 H new ATOM 0 HA ASP A 53 11.789 2.883 -0.996 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.015 1.958 -1.568 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.899 2.583 -3.201 1.00 0.00 H new ATOM 828 N GLY A 54 10.631 4.683 -2.103 1.00 0.00 N ATOM 829 CA GLY A 54 10.003 5.914 -2.666 1.00 0.00 C ATOM 830 C GLY A 54 8.553 5.583 -3.003 1.00 0.00 C ATOM 831 O GLY A 54 7.827 6.373 -3.573 1.00 0.00 O ATOM 0 H GLY A 54 10.229 4.364 -1.222 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.051 6.731 -1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.537 6.242 -3.557 1.00 0.00 H new ATOM 835 N ASP A 55 8.146 4.396 -2.656 1.00 0.00 N ATOM 836 CA ASP A 55 6.755 3.937 -2.943 1.00 0.00 C ATOM 837 C ASP A 55 5.697 5.043 -2.727 1.00 0.00 C ATOM 838 O ASP A 55 5.790 5.851 -1.832 1.00 0.00 O ATOM 839 CB ASP A 55 6.546 2.800 -1.940 1.00 0.00 C ATOM 840 CG ASP A 55 5.051 2.545 -1.729 1.00 0.00 C ATOM 841 OD1 ASP A 55 4.289 2.834 -2.635 1.00 0.00 O ATOM 842 OD2 ASP A 55 4.696 2.068 -0.665 1.00 0.00 O ATOM 0 H ASP A 55 8.728 3.710 -2.176 1.00 0.00 H new ATOM 0 HA ASP A 55 6.638 3.641 -3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.029 1.893 -2.303 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.016 3.053 -0.990 1.00 0.00 H new ATOM 847 N GLN A 56 4.660 5.048 -3.522 1.00 0.00 N ATOM 848 CA GLN A 56 3.564 6.048 -3.332 1.00 0.00 C ATOM 849 C GLN A 56 2.254 5.285 -3.165 1.00 0.00 C ATOM 850 O GLN A 56 2.046 4.279 -3.800 1.00 0.00 O ATOM 851 CB GLN A 56 3.551 6.898 -4.606 1.00 0.00 C ATOM 852 CG GLN A 56 2.199 7.604 -4.743 1.00 0.00 C ATOM 853 CD GLN A 56 2.394 9.120 -4.660 1.00 0.00 C ATOM 854 OE1 GLN A 56 1.717 9.869 -5.337 1.00 0.00 O ATOM 855 NE2 GLN A 56 3.295 9.607 -3.853 1.00 0.00 N ATOM 0 H GLN A 56 4.523 4.401 -4.298 1.00 0.00 H new ATOM 0 HA GLN A 56 3.703 6.681 -2.456 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.354 7.634 -4.572 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.733 6.268 -5.477 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.735 7.339 -5.693 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.523 7.271 -3.955 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.863 8.979 -3.285 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.431 10.616 -3.790 1.00 0.00 H new ATOM 864 N ILE A 57 1.375 5.718 -2.304 1.00 0.00 N ATOM 865 CA ILE A 57 0.115 4.948 -2.134 1.00 0.00 C ATOM 866 C ILE A 57 -1.112 5.840 -1.955 1.00 0.00 C ATOM 867 O ILE A 57 -1.075 6.863 -1.299 1.00 0.00 O ATOM 868 CB ILE A 57 0.330 4.132 -0.870 1.00 0.00 C ATOM 869 CG1 ILE A 57 1.410 3.077 -1.108 1.00 0.00 C ATOM 870 CG2 ILE A 57 -0.981 3.459 -0.471 1.00 0.00 C ATOM 871 CD1 ILE A 57 1.805 2.478 0.239 1.00 0.00 C ATOM 0 H ILE A 57 1.471 6.552 -1.724 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.083 4.347 -3.022 1.00 0.00 H new ATOM 0 HB ILE A 57 0.656 4.791 -0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.039 2.299 -1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.277 3.525 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.828 2.873 0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.740 4.220 -0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.313 2.802 -1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.576 1.722 0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.190 3.265 0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.932 2.019 0.703 1.00 0.00 H new ATOM 883 N LEU A 58 -2.217 5.400 -2.481 1.00 0.00 N ATOM 884 CA LEU A 58 -3.498 6.131 -2.305 1.00 0.00 C ATOM 885 C LEU A 58 -4.384 5.200 -1.487 1.00 0.00 C ATOM 886 O LEU A 58 -4.524 4.053 -1.826 1.00 0.00 O ATOM 887 CB LEU A 58 -4.055 6.337 -3.711 1.00 0.00 C ATOM 888 CG LEU A 58 -4.665 7.737 -3.832 1.00 0.00 C ATOM 889 CD1 LEU A 58 -5.757 7.919 -2.777 1.00 0.00 C ATOM 890 CD2 LEU A 58 -3.569 8.784 -3.619 1.00 0.00 C ATOM 0 H LEU A 58 -2.287 4.547 -3.037 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.414 7.096 -1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.261 6.212 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.811 5.582 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.102 7.858 -4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.188 8.916 -2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.537 7.172 -2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.326 7.798 -1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.998 9.782 -3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.134 8.659 -2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.793 8.657 -4.374 1.00 0.00 H new ATOM 902 N LEU A 59 -4.919 5.617 -0.379 1.00 0.00 N ATOM 903 CA LEU A 59 -5.700 4.631 0.428 1.00 0.00 C ATOM 904 C LEU A 59 -7.203 4.911 0.481 1.00 0.00 C ATOM 905 O LEU A 59 -7.646 5.967 0.886 1.00 0.00 O ATOM 906 CB LEU A 59 -5.106 4.716 1.831 1.00 0.00 C ATOM 907 CG LEU A 59 -5.163 3.336 2.494 1.00 0.00 C ATOM 908 CD1 LEU A 59 -6.576 2.758 2.388 1.00 0.00 C ATOM 909 CD2 LEU A 59 -4.187 2.398 1.785 1.00 0.00 C ATOM 0 H LEU A 59 -4.857 6.563 -0.002 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.622 3.644 -0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.074 5.065 1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.659 5.441 2.428 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.894 3.435 3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.604 1.777 2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.280 3.424 2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.852 2.661 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.223 1.414 2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.464 2.311 0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.176 2.799 1.861 1.00 0.00 H new ATOM 921 N PHE A 60 -7.982 3.917 0.138 1.00 0.00 N ATOM 922 CA PHE A 60 -9.468 4.023 0.225 1.00 0.00 C ATOM 923 C PHE A 60 -9.896 2.887 1.159 1.00 0.00 C ATOM 924 O PHE A 60 -9.183 1.909 1.284 1.00 0.00 O ATOM 925 CB PHE A 60 -10.039 3.827 -1.197 1.00 0.00 C ATOM 926 CG PHE A 60 -8.935 3.691 -2.228 1.00 0.00 C ATOM 927 CD1 PHE A 60 -8.205 4.813 -2.640 1.00 0.00 C ATOM 928 CD2 PHE A 60 -8.651 2.437 -2.771 1.00 0.00 C ATOM 929 CE1 PHE A 60 -7.192 4.673 -3.594 1.00 0.00 C ATOM 930 CE2 PHE A 60 -7.639 2.296 -3.724 1.00 0.00 C ATOM 931 CZ PHE A 60 -6.909 3.413 -4.136 1.00 0.00 C ATOM 0 H PHE A 60 -7.642 3.019 -0.206 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.822 4.983 0.602 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -10.668 2.937 -1.218 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.675 4.674 -1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.424 5.784 -2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.215 1.573 -2.453 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -6.628 5.537 -3.913 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -7.421 1.324 -4.142 1.00 0.00 H new ATOM 0 HZ PHE A 60 -6.126 3.305 -4.872 1.00 0.00 H new ATOM 941 N GLN A 61 -10.984 2.985 1.870 1.00 0.00 N ATOM 942 CA GLN A 61 -11.286 1.866 2.809 1.00 0.00 C ATOM 943 C GLN A 61 -12.755 1.421 2.820 1.00 0.00 C ATOM 944 O GLN A 61 -13.672 2.194 2.620 1.00 0.00 O ATOM 945 CB GLN A 61 -10.903 2.429 4.177 1.00 0.00 C ATOM 946 CG GLN A 61 -9.423 2.828 4.173 1.00 0.00 C ATOM 947 CD GLN A 61 -9.039 3.370 5.550 1.00 0.00 C ATOM 948 OE1 GLN A 61 -9.885 3.820 6.296 1.00 0.00 O ATOM 949 NE2 GLN A 61 -7.789 3.341 5.926 1.00 0.00 N ATOM 0 H GLN A 61 -11.653 3.755 1.848 1.00 0.00 H new ATOM 0 HA GLN A 61 -10.741 0.969 2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -11.523 3.294 4.412 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -11.087 1.685 4.952 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.804 1.967 3.923 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.241 3.584 3.409 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.077 2.963 5.301 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.524 3.696 6.845 1.00 0.00 H new ATOM 958 N VAL A 62 -12.941 0.160 3.127 1.00 0.00 N ATOM 959 CA VAL A 62 -14.295 -0.461 3.257 1.00 0.00 C ATOM 960 C VAL A 62 -15.273 -0.137 2.121 1.00 0.00 C ATOM 961 O VAL A 62 -15.303 0.943 1.568 1.00 0.00 O ATOM 962 CB VAL A 62 -14.838 0.083 4.572 1.00 0.00 C ATOM 963 CG1 VAL A 62 -16.311 -0.296 4.695 1.00 0.00 C ATOM 964 CG2 VAL A 62 -14.054 -0.525 5.739 1.00 0.00 C ATOM 0 H VAL A 62 -12.174 -0.490 3.300 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.197 -1.546 3.218 1.00 0.00 H new ATOM 0 HB VAL A 62 -14.733 1.168 4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -16.709 0.089 5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -16.868 0.133 3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -16.410 -1.381 4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -14.442 -0.136 6.680 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -14.161 -1.610 5.723 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -13.000 -0.263 5.645 1.00 0.00 H new ATOM 974 N ILE A 63 -16.127 -1.091 1.846 1.00 0.00 N ATOM 975 CA ILE A 63 -17.198 -0.919 0.832 1.00 0.00 C ATOM 976 C ILE A 63 -18.522 -1.148 1.553 1.00 0.00 C ATOM 977 O ILE A 63 -18.905 -2.273 1.805 1.00 0.00 O ATOM 978 CB ILE A 63 -16.979 -2.006 -0.223 1.00 0.00 C ATOM 979 CG1 ILE A 63 -15.663 -1.761 -0.966 1.00 0.00 C ATOM 980 CG2 ILE A 63 -18.141 -1.969 -1.217 1.00 0.00 C ATOM 981 CD1 ILE A 63 -14.571 -2.664 -0.386 1.00 0.00 C ATOM 0 H ILE A 63 -16.121 -2.005 2.298 1.00 0.00 H new ATOM 0 HA ILE A 63 -17.194 0.065 0.362 1.00 0.00 H new ATOM 0 HB ILE A 63 -16.932 -2.981 0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -15.791 -1.964 -2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -15.371 -0.715 -0.874 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.997 -2.739 -1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.077 -2.150 -0.689 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.178 -0.991 -1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -13.635 -2.489 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.437 -2.439 0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -14.863 -3.708 -0.501 1.00 0.00 H new ATOM 993 N ALA A 64 -19.203 -0.114 1.934 1.00 0.00 N ATOM 994 CA ALA A 64 -20.466 -0.330 2.687 1.00 0.00 C ATOM 995 C ALA A 64 -21.677 0.242 1.951 1.00 0.00 C ATOM 996 O ALA A 64 -21.555 1.007 1.015 1.00 0.00 O ATOM 997 CB ALA A 64 -20.239 0.402 4.005 1.00 0.00 C ATOM 0 H ALA A 64 -18.949 0.859 1.762 1.00 0.00 H new ATOM 0 HA ALA A 64 -20.685 -1.390 2.818 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -21.123 0.300 4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -19.378 -0.028 4.516 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -20.054 1.458 3.808 1.00 0.00 H new ATOM 1003 N GLY A 65 -22.849 -0.131 2.390 1.00 0.00 N ATOM 1004 CA GLY A 65 -24.101 0.370 1.756 1.00 0.00 C ATOM 1005 C GLY A 65 -25.117 0.681 2.856 1.00 0.00 C ATOM 1006 O GLY A 65 -25.099 1.741 3.448 1.00 0.00 O ATOM 0 H GLY A 65 -22.993 -0.770 3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -23.895 1.264 1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -24.503 -0.377 1.071 1.00 0.00 H new ATOM 1010 N GLY A 66 -25.995 -0.240 3.143 1.00 0.00 N ATOM 1011 CA GLY A 66 -27.001 0.003 4.215 1.00 0.00 C ATOM 1012 C GLY A 66 -28.182 0.793 3.650 1.00 0.00 C ATOM 1013 O GLY A 66 -28.259 1.979 3.920 1.00 0.00 O ATOM 1014 OXT GLY A 66 -28.991 0.197 2.957 1.00 0.00 O ATOM 0 H GLY A 66 -26.059 -1.148 2.683 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -27.349 -0.947 4.622 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -26.544 0.554 5.037 1.00 0.00 H new TER 1018 GLY A 66